A0A096MJ92_RAT Loading...

Olfactory receptor family 8 subfamily B member 35

AlphaFold DB , UniProt , Accession A0A096MJ92, Species RAT (Rattus norvegicus, Rat), Gene Or8b35, Length 314 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
1M37Very low40.7Very low246 Ų246168.3 Ų168.3100%1.21287%0.866SS**  0119.80-119.7168.9177.800107.4R3M1-R3 PolarHBondContact O-N 3.32Å
2T38.5Very low41.9Very low142 Ų142163.1 Ų163.187%0.87186%0.856SS**  trans-53.6120.7-175.1-1.40000110.4E4T2-E4 PolarHBondContact O-N 3.2Å; T2-E4 VanDerWaalsContact O-N 3.07Å
3R37.6Very low44.1Very low240 Ų240155.2 Ų155.291%0.90682%0.822SS**  trans-73.498.4172.1-153.3176.9-169-177.82.3105.9M1 R5M1-R3 PolarHBondContact O-N 3.32Å; R3-R5 PolarHBondContact O-N 3.43Å
4E38.2Very low46.9Very low181 Ų181145.9 Ų145.985%0.84677%0.774SS**  trans-48.9113.7170-80.6177.4146.300107.9T2 M6T2-E4 PolarHBondContact O-N 3.2Å; T2-E4 VanDerWaalsContact O-N 3.07Å; E4-M6 PolarHBondContact O-N 3.44Å
5R41.3Very low49.7Very low243 Ų243147.4 Ų147.492%0.91777%0.772SS**  trans-63.1109.5166.2-77.3-179.5176-178.8-2.5105.4R3 A7R3-R5 PolarHBondContact O-N 3.43Å; R5-A7 PolarHBondContact O-N 3.19Å
6M42.2Very low52.6Low166 Ų166144.8 Ų144.882%0.81875%0.754SS**  trans-53.8107.1164-79.5177.8173.400107.5E4 L8E4-M6 PolarHBondContact O-N 3.44Å; M6-L8 PolarHBondContact O-N 2.93Å
7A41.2Very low55.2Low104 Ų104136.3 Ų136.386%0.8671%0.71SS**  trans-68.18316200000106.8R5 G9R5-A7 PolarHBondContact O-N 3.19Å; A7-G9 PolarHBondContact O-N 3.44Å
8L40.7Very low57.5Low154 Ų154130.5 Ų130.581%0.80668%0.68SS**  trans-75.8101.1175.5-123145.4000107.3M6M6-L8 PolarHBondContact O-N 2.93Å
9G39.8Very low59.6Low58 Ų58123.8 Ų123.860%0.59865%0.645SS**  trans74111.9150.700000117.1A7A7-G9 PolarHBondContact O-N 3.44Å
10N43.7Very low61.4Low170 Ų170119.9 Ų119.991%0.90962%0.624SS**THydrogen-bonded Turntrans-48.3134.8160-66.8-29.5000111.4
11D47.8Very low62.9Low147 Ų147114.2 Ų114.279%0.78660%0.595SS**THydrogen-bonded Turntrans72.441.7156.2-136.513.4000118.8S13D11-S13 PolarHBondContact O-N 3.49Å
12S54.2Low65.6Low106 Ų106103.9 Ų103.974%0.74155%0.545SS*.  trans-81.266.4164.266.10000111.7
13S70.6Confident68.1Low60 Ų6098.2 Ų98.242%0.4251%0.51SS..  trans-65.7137.516659.20000109.9D11 K15D11-S13 PolarHBondContact O-N 3.49Å; S13-K15 PolarHBondContact O-N 3.04Å; S13-K15 VanDerWaalsContact O-N 3.16Å
14V83.2Confident70.6Confident25 Ų2592 Ų9215%0.15249%0.491CS..  trans-57.5118.5174172.70000109.2E16 F17 F172 G175 N176V14-E16 WeakPolarHBondContact CG1-O 3.02Å; V14-F17 HydrophobicContact CB-CE1 4.25Å; V14-F17 HydrophobicContact CG1-CD1 3.87Å; V14-F17 HydrophobicContact CG1-CE1 3.72Å; V14-F17 HydrophobicContact CG1-CG 4.43Å; V14-F17 HydrophobicContact CG1-CZ 4.16Å; V14-F172 HydrophobicContact CB-CB 4.1Å; V14-F172 HydrophobicContact CG2-CB 4.06Å; V14-F172 WeakPolarHBondContact CG2-O 3.5Å; V14-G175 WeakPolarHBondContact CG2-O 3.12Å; V14-N176 HydrophobicContact CG1-CB 3.6Å; V14-N176 HydrophobicContact CG2-CB 4.38Å
15K90.1Very high73.2Confident169 Ų16988.1 Ų88.174%0.73547%0.473SS*.  trans-84.6-26.1179.6-65.9-172.6178.8-178.80113.2S13 S97 H98S13-K15 PolarHBondContact O-N 3.04Å; S13-K15 VanDerWaalsContact O-N 3.16Å; K15-S97 CarbonylContact O-C 3.58Å; K15-S97 WeakPolarHBondContact O-CA 3.28Å; K15-H98 PolarHBondContact O-N 3.18Å
16E95.4Very high75.7Confident106 Ų10680.9 Ų80.950%0.49546%0.458SS..EExtended strand (participates in β ladder)trans-143.4136.5-174-63.3180167.800110V14 I95 I96 N176V14-E16 WeakPolarHBondContact CG1-O 3.02Å; E16-I95 HydrophobicContact CB-CG2 4.01Å; E16-I95 HydrophobicContact CG-CG2 4.39Å; E16-I96 CarbonylContact C-O 3.59Å; E16-I96 WeakPolarHBondContact CA-O 3.22Å; E16-N176 WeakPolarHBondContact O-CB 3.34Å; E16-N176 PolarHBondContact O-ND2 3Å
17F96.9Very high78.2Confident0 Ų079.3 Ų79.30%045%0.448CS..EExtended strand (participates in β ladder)trans-105.1154.5172.9-58.9-78.2000110.8V14 I95 I96 H98 C101 F172 N176 I178 L188 L191V14-F17 HydrophobicContact CB-CE1 4.25Å; V14-F17 HydrophobicContact CG1-CD1 3.87Å; V14-F17 HydrophobicContact CG1-CE1 3.72Å; V14-F17 HydrophobicContact CG1-CG 4.43Å; V14-F17 HydrophobicContact CG1-CZ 4.16Å; F17-I95 WeakPolarHBondContact O-CA 3.29Å; F17-I96 HydrophobicContact CB-CG2 3.85Å; F17-I96 PolarHBondContact N-O 3.1Å; F17-I96 PolarHBondContact O-N 3.18Å; F17-H98 HydrophobicContact CE2-CB 4.16Å; F17-H98 AromaticContact CE2-CD2 3.81Å; F17-C101 HydrophobicContact CD2-CB 3.99Å; F17-C101 HydrophobicContact CE2-CB 4.27Å; F17-F172 HydrophobicContact CE1-CB 4.24Å; F17-F172 HydrophobicContact CE1-CD1 4.42Å; F17-F172 HydrophobicContact CE1-CD2 4.47Å; F17-F172 HydrophobicContact CE1-CG 4.11Å; F17-F172 HydrophobicContact CZ-CB 4.31Å; F17-F172 HydrophobicContact CZ-CD1 4.32Å; F17-F172 AromaticContact CZ-CD2 3.76Å; F17-F172 HydrophobicContact CZ-CD2 3.76Å; F17-F172 HydrophobicContact CZ-CE2 4.14Å; F17-F172 AromaticContact CZ-CG 3.85Å; F17-F172 HydrophobicContact CZ-CG 3.85Å; F17-N176 CarbonylContact C-O 3.47Å; F17-N176 VanDerWaalsContact CA-O 3.22Å; F17-N176 WeakPolarHBondContact CA-O 3.33Å; F17-I178 HydrophobicContact CB-CD1 3.6Å; F17-I178 HydrophobicContact CB-CG1 4.08Å; F17-I178 HydrophobicContact CD1-CD1 3.85Å; F17-I178 HydrophobicContact CD1-CG1 4Å; F17-I178 HydrophobicContact CD2-CD1 4.17Å; F17-I178 HydrophobicContact CG-CD1 3.62Å; F17-I178 HydrophobicContact CG-CG1 4.2Å; F17-L188 HydrophobicContact CE1-CD2 4.4Å; F17-L188 HydrophobicContact CE2-CD2 4.41Å; F17-L188 HydrophobicContact CZ-CD2 4.18Å; F17-L191 HydrophobicContact CD1-CD1 4.01Å; F17-L191 HydrophobicContact CE1-CD1 3.96Å
18I96.9Very high80.8Confident32 Ų3277.8 Ų77.816%0.16443%0.425CS..EExtended strand (participates in β ladder)trans-110.3112.8170.9-60.6163.1000106.7Q93 I95 N176 I177 I178I18-Q93 HydrophobicContact CG2-CG 3.81Å; I18-I95 HydrophobicContact CG1-CG1 4.42Å; I18-N176 PolarHBondContact N-O 3.42Å; I18-I177 HydrophobicContact CB-CG1 4.48Å; I18-I177 WeakPolarHBondContact O-CA 3.43Å; I18-I178 PolarHBondContact O-N 3.36Å
19L96.8Very high83.4Confident4 Ų472.7 Ų72.72%0.02140%0.397CS..EExtended strand (participates in β ladder)trans-77.7120173.3-62.4174.7000108.7G21 N94 I96 I178L19-G21 PolarHBondContact O-N 3.05Å; L19-N94 HydrophobicContact CB-CB 4.12Å; L19-N94 WeakPolarHBondContact CD1-ND2 3.4Å; L19-N94 PolarHBondContact N-O 3.41Å; L19-I96 HydrophobicContact CD1-CB 4.47Å; L19-I96 HydrophobicContact CD1-CD1 4.44Å; L19-I96 HydrophobicContact CD1-CG2 4.11Å; L19-I96 HydrophobicContact CD2-CG2 4.29Å; L19-I96 HydrophobicContact CG-CG2 3.89Å; L19-I178 HydrophobicContact CD2-CB 3.94Å; L19-I178 HydrophobicContact CD2-CD1 3.96Å; L19-I178 HydrophobicContact CD2-CG2 3.97Å
20L95Very high86Confident44 Ų4475.1 Ų75.123%0.2340%0.396CS..  trans-65-29.6-179.9-161.466.6000111.3Q24 I177 I178 D179 H180L20-Q24 VanDerWaalsContact CD1-CD 3.4Å; L20-Q24 HydrophobicContact CD1-CG 3.86Å; L20-Q24 HydrophobicContact CD2-CG 4.18Å; L20-Q24 HydrophobicContact CG-CG 3.93Å; L20-Q24 PolarHBondContact O-NE2 3.46Å; L20-I177 HydrophobicContact CD1-CG2 4.45Å; L20-I178 WeakPolarHBondContact CB-O 3.28Å; L20-I178 PolarHBondContact N-O 3.3Å; L20-D179 HydrophobicContact CD2-CB 4.4Å; L20-D179 VanDerWaalsContact CD2-CG 3.5Å; L20-D179 WeakPolarHBondContact CD2-OD1 3.39Å; L20-H180 PolarHBondContact N-O 3.49Å
21G94.4Very high88.6Confident1 Ų170.6 Ų70.61%0.0138%0.376CS..  trans84.3-167.1-176.900000112.5L19 S89 H180L19-G21 PolarHBondContact O-N 3.05Å; G21-S89 WeakPolarHBondContact CA-OG 3.43Å; G21-H180 PolarHBondContact N-O 3.43Å; G21-H180 VanDerWaalsContact N-O 3.11Å
22L92.9Very high90.9Very high29 Ų2965.2 Ų65.215%0.15235%0.347CS..SBendtrans-83.2-29.1-175.6-175.163000113.4L32 F36 F90 K275 I279L22-L32 HydrophobicContact CD2-CD1 4.35Å; L22-F36 HydrophobicContact CD2-CE2 3.45Å; L22-F36 VanDerWaalsContact CD2-CE2 3.45Å; L22-F36 HydrophobicContact CD2-CZ 3.77Å; L22-F90 HydrophobicContact CB-CE1 3.94Å; L22-F90 HydrophobicContact CB-CZ 4Å; L22-F90 HydrophobicContact CD2-CZ 4.22Å; L22-K275 HydrophobicContact CD1-CB 3.99Å; L22-I279 HydrophobicContact CD1-CD1 3.5Å; L22-I279 HydrophobicContact CD2-CD1 3.7Å; L22-I279 HydrophobicContact CG-CD1 4.24Å
23T91.9Very high93Very high23 Ų2362.4 Ų62.414%0.14132%0.322CS..  trans-152.4147.1179.7-174.70000111.3Q25 L28 Q29 L32 F90T23-Q25 PolarHBondContact OG1-N 3.16Å; T23-Q25 VanDerWaalsContact OG1-N 3.1Å; T23-L28 HydrophobicContact CG2-CB 4.04Å; T23-Q29 HydrophobicContact CG2-CG 4.27Å; T23-L32 HydrophobicContact CG2-CD1 3.5Å; T23-F90 HydrophobicContact CG2-CE1 4.4Å
24Q89.6Confident94.3Very high109 Ų10965.5 Ų65.551%0.50933%0.328SS..  trans-98.3-0.3170.3-64.8-54.3-73.100113.1L20 P26L20-Q24 VanDerWaalsContact CD1-CD 3.4Å; L20-Q24 HydrophobicContact CD1-CG 3.86Å; L20-Q24 HydrophobicContact CD2-CG 4.18Å; L20-Q24 HydrophobicContact CG-CG 3.93Å; L20-Q24 PolarHBondContact O-NE2 3.46Å; Q24-P26 VanDerWaalsContact O-CD 3.24Å; Q24-P26 WeakPolarHBondContact O-CD 3.41Å
25Q93.5Very high95Very high100 Ų10069 Ų6947%0.46735%0.345SS..  trans-79.1111.5179.8-67179.70.700110.4T23 E27 L28 Q29T23-Q25 PolarHBondContact OG1-N 3.16Å; T23-Q25 VanDerWaalsContact OG1-N 3.1Å; Q25-E27 HydrophobicContact CB-CG 4.46Å; Q25-E27 PolarHBondContact O-N 2.97Å; Q25-L28 HydrophobicContact CB-CB 4.36Å; Q25-L28 HydrophobicContact CB-CD1 4.34Å; Q25-L28 HydrophobicContact CB-CG 4.27Å; Q25-L28 PolarHBondContact O-N 3.02Å; Q25-Q29 PolarHBondContact O-N 2.95Å
26P92.2Very high95.3Very high92 Ų9261.5 Ų61.560%0.59731%0.312SS*.Hα-helixtrans-58.3-33.7-175.5-25.336.1000113.6Q24 L28 Q29Q24-P26 VanDerWaalsContact O-CD 3.24Å; Q24-P26 WeakPolarHBondContact O-CD 3.41Å; P26-L28 VanDerWaalsContact C-N 3.27Å; P26-L28 PolarHBondContact O-N 2.96Å; P26-Q29 PolarHBondContact O-N 3.43Å
27E95.8Very high95.4Very high132 Ų13259.3 Ų59.362%0.61730%0.304SS*.Hα-helixtrans-65.6-25178.560.2-87.8-159.100113.9Q25 P31Q25-E27 HydrophobicContact CB-CG 4.46Å; Q25-E27 PolarHBondContact O-N 2.97Å; E27-P31 WeakPolarHBondContact O-CD 3.37Å
28L95Very high95.5Very high73 Ų7361.1 Ų61.138%0.38232%0.322SS..Hα-helixtrans-95-21.2179.1-67-173.9000113.2T23 Q25 P26 L30 P31 L32T23-L28 HydrophobicContact CG2-CB 4.04Å; Q25-L28 HydrophobicContact CB-CB 4.36Å; Q25-L28 HydrophobicContact CB-CD1 4.34Å; Q25-L28 HydrophobicContact CB-CG 4.27Å; Q25-L28 PolarHBondContact O-N 3.02Å; P26-L28 VanDerWaalsContact C-N 3.27Å; P26-L28 PolarHBondContact O-N 2.96Å; L28-L30 PolarHBondContact O-N 3.33Å; L28-P31 WeakPolarHBondContact O-CD 3.41Å; L28-L32 HydrophobicContact CB-CD1 4.01Å; L28-L32 VanDerWaalsContact O-CB 3.3Å; L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 WeakPolarHBondContact O-CG 3.31Å; L28-L32 PolarHBondContact O-N 3.44Å
29Q95.3Very high95.5Very high46 Ų4660.6 Ų60.622%0.21532%0.319CS..Hα-helixtrans-57.8-50.3-174.6-77.8-180-17.800112.7T23 Q25 P26 L32 F33 F90T23-Q29 HydrophobicContact CG2-CG 4.27Å; Q25-Q29 PolarHBondContact O-N 2.95Å; P26-Q29 PolarHBondContact O-N 3.43Å; Q29-L32 PolarHBondContact O-N 3.31Å; Q29-F33 WeakPolarHBondContact O-CB 3.29Å; Q29-F33 PolarHBondContact O-N 2.92Å; Q29-F90 HydrophobicContact CB-CB 4.37Å; Q29-F90 WeakPolarHBondContact CB-O 3.37Å; Q29-F90 HydrophobicContact CG-CD1 4.47Å; Q29-F90 WeakPolarHBondContact O-CB 3.3Å
30L95.8Very high95.5Very high109 Ų10962.8 Ų62.857%0.57133%0.328SS*.Hα-helixtrans-68.4-45.4-177.8-173.968.2000113.2L28 L32 F33 F34L28-L30 PolarHBondContact O-N 3.33Å; L30-L32 PolarHBondContact O-N 2.87Å; L30-F33 WeakPolarHBondContact O-CB 3.43Å; L30-F33 PolarHBondContact O-N 3.41Å; L30-F34 HydrophobicContact CD1-CD2 4.16Å; L30-F34 HydrophobicContact CD1-CE2 3.52Å; L30-F34 HydrophobicContact CD1-CZ 4.17Å; L30-F34 HydrophobicContact CD2-CE2 4.36Å; L30-F34 HydrophobicContact CG-CD2 4.16Å; L30-F34 HydrophobicContact CG-CE2 3.75Å; L30-F34 VanDerWaalsContact O-CD2 3.28Å; L30-F34 WeakPolarHBondContact O-CD2 3.39Å; L30-F34 PolarHBondContact O-N 3.42Å
31P97.5Very high95.6Very high75 Ų7564.2 Ų64.249%0.48734%0.338SS..Hα-helixtrans-56.5-45.1171.3-27.534.7000113.6E27 L28 F34 L35E27-P31 WeakPolarHBondContact O-CD 3.37Å; L28-P31 WeakPolarHBondContact O-CD 3.41Å; P31-F34 PolarHBondContact O-N 2.83Å; P31-L35 WeakPolarHBondContact O-CB 3.36Å; P31-L35 PolarHBondContact O-N 2.92Å
32L96.3Very high95.7Very high35 Ų3566.9 Ų66.918%0.18336%0.356CS..Hα-helixtrans-66.8-37.7179.4-69.3172.8000111.8L22 T23 L28 Q29 L30 F34 L35 F36 F90L22-L32 HydrophobicContact CD2-CD1 4.35Å; T23-L32 HydrophobicContact CG2-CD1 3.5Å; L28-L32 HydrophobicContact CB-CD1 4.01Å; L28-L32 VanDerWaalsContact O-CB 3.3Å; L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 WeakPolarHBondContact O-CG 3.31Å; L28-L32 PolarHBondContact O-N 3.44Å; Q29-L32 PolarHBondContact O-N 3.31Å; L30-L32 PolarHBondContact O-N 2.87Å; L32-F34 PolarHBondContact O-N 3.06Å; L32-L35 HydrophobicContact CD2-CD2 4.23Å; L32-L35 PolarHBondContact O-N 3.43Å; L32-F36 HydrophobicContact CB-CD2 4.33Å; L32-F36 HydrophobicContact CD2-CE2 4.15Å; L32-F36 VanDerWaalsContact O-CD2 3.27Å; L32-F36 WeakPolarHBondContact O-CD2 3.3Å; L32-F36 PolarHBondContact O-N 2.9Å; L32-F90 HydrophobicContact CB-CD1 4.11Å; L32-F90 HydrophobicContact CB-CE1 3.7Å; L32-F90 HydrophobicContact CB-CE2 4.32Å; L32-F90 HydrophobicContact CB-CZ 3.83Å; L32-F90 HydrophobicContact CD1-CE1 3.94Å; L32-F90 HydrophobicContact CG-CE1 4.49Å
33F97.5Very high95.9Very high47 Ų4765.6 Ų65.621%0.20635%0.35CS..Hα-helixtrans-54.4-52173.7176.5-95.1000111.6Q29 L30 L37 L87 F90 V91Q29-F33 WeakPolarHBondContact O-CB 3.29Å; Q29-F33 PolarHBondContact O-N 2.92Å; L30-F33 WeakPolarHBondContact O-CB 3.43Å; L30-F33 PolarHBondContact O-N 3.41Å; F33-L37 HydrophobicContact CE1-CD2 3.95Å; F33-L37 HydrophobicContact CZ-CD2 4.29Å; F33-L37 WeakPolarHBondContact O-CB 3.49Å; F33-L37 PolarHBondContact O-N 2.86Å; F33-L87 HydrophobicContact CD2-CB 4.25Å; F33-L87 HydrophobicContact CD2-CD2 3.95Å; F33-L87 WeakPolarHBondContact CD2-O 3.27Å; F33-L87 HydrophobicContact CE2-CB 4.07Å; F33-L87 HydrophobicContact CE2-CD2 4.23Å; F33-L87 WeakPolarHBondContact O-CD2 3.23Å; F33-F90 HydrophobicContact CB-CB 3.84Å; F33-F90 HydrophobicContact CB-CD2 4.12Å; F33-F90 HydrophobicContact CB-CG 4.25Å; F33-F90 HydrophobicContact CD2-CB 4.25Å; F33-F90 HydrophobicContact CD2-CD2 4.45Å; F33-V91 HydrophobicContact CD2-CG2 3.67Å; F33-V91 HydrophobicContact CE2-CG2 3.75Å; F33-V91 HydrophobicContact CG-CG2 4.33Å; F33-V91 HydrophobicContact CZ-CG2 4.47Å
34F98Very high96.1Very high124 Ų12465.6 Ų65.654%0.54435%0.349SS..Hα-helixtrans-67.6-37.1-180-71.7-61.2000112.9L30 P31 L32 G38L30-F34 HydrophobicContact CD1-CD2 4.16Å; L30-F34 HydrophobicContact CD1-CE2 3.52Å; L30-F34 HydrophobicContact CD1-CZ 4.17Å; L30-F34 HydrophobicContact CD2-CE2 4.36Å; L30-F34 HydrophobicContact CG-CD2 4.16Å; L30-F34 HydrophobicContact CG-CE2 3.75Å; L30-F34 VanDerWaalsContact O-CD2 3.28Å; L30-F34 WeakPolarHBondContact O-CD2 3.39Å; L30-F34 PolarHBondContact O-N 3.42Å; P31-F34 PolarHBondContact O-N 2.83Å; L32-F34 PolarHBondContact O-N 3.06Å; F34-G38 PolarHBondContact O-N 3.24Å
35L97.4Very high96.4Very high100 Ų10064.9 Ų64.952%0.52435%0.353SS..Hα-helixtrans-59-55.1174.9175.862.6000111.1P31 L32 L37 G38 I39P31-L35 WeakPolarHBondContact O-CB 3.36Å; P31-L35 PolarHBondContact O-N 2.92Å; L32-L35 HydrophobicContact CD2-CD2 4.23Å; L32-L35 PolarHBondContact O-N 3.43Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L35-L37 PolarHBondContact O-N 3.43Å; L35-G38 PolarHBondContact O-N 3.29Å; L35-I39 HydrophobicContact CD1-CD1 4.1Å; L35-I39 HydrophobicContact CG-CD1 3.96Å; L35-I39 WeakPolarHBondContact O-CD1 3.43Å; L35-I39 WeakPolarHBondContact O-CG1 3.46Å; L35-I39 PolarHBondContact O-N 3.15Å
36F97.2Very high96.5Very high10 Ų1061.2 Ų61.24%0.04434%0.341CS..Hα-helixtrans-71.1-28.3-178.6-77-70000113.1L22 L32 I39 Y40 M86 L87 F90 I279 I283L22-F36 HydrophobicContact CD2-CE2 3.45Å; L22-F36 VanDerWaalsContact CD2-CE2 3.45Å; L22-F36 HydrophobicContact CD2-CZ 3.77Å; L32-F36 HydrophobicContact CB-CD2 4.33Å; L32-F36 HydrophobicContact CD2-CE2 4.15Å; L32-F36 VanDerWaalsContact O-CD2 3.27Å; L32-F36 WeakPolarHBondContact O-CD2 3.3Å; L32-F36 PolarHBondContact O-N 2.9Å; F36-I39 HydrophobicContact CD1-CD1 3.84Å; F36-I39 HydrophobicContact CE1-CD1 4.19Å; F36-I39 HydrophobicContact CG-CD1 4.47Å; F36-I39 PolarHBondContact O-N 3.45Å; F36-Y40 VanDerWaalsContact O-CB 3.31Å; F36-Y40 WeakPolarHBondContact O-CB 3.39Å; F36-Y40 PolarHBondContact O-N 3Å; F36-M86 HydrophobicContact CB-CE 3.74Å; F36-M86 HydrophobicContact CD1-CE 3.37Å; F36-M86 HydrophobicContact CD1-SD 4.27Å; F36-M86 HydrophobicContact CD2-CE 4.18Å; F36-M86 HydrophobicContact CE1-CE 3.94Å; F36-M86 HydrophobicContact CE1-SD 4.31Å; F36-M86 HydrophobicContact CG-CE 3.49Å; F36-M86 VanDerWaalsContact CG-CE 3.49Å; F36-M86 HydrophobicContact CG-SD 4.37Å; F36-M86 HydrophobicContact CZ-SD 4.49Å; F36-L87 HydrophobicContact CB-CD2 3.73Å; F36-F90 HydrophobicContact CB-CE2 4.38Å; F36-F90 AromaticContact CD2-CE2 3.77Å; F36-F90 HydrophobicContact CD2-CE2 3.77Å; F36-F90 AromaticContact CD2-CZ 3.78Å; F36-F90 HydrophobicContact CD2-CZ 3.78Å; F36-F90 HydrophobicContact CE2-CZ 4.11Å; F36-F90 HydrophobicContact CG-CE2 4.39Å; F36-I279 HydrophobicContact CE1-CD1 4.43Å; F36-I279 HydrophobicContact CE1-CG1 4.36Å; F36-I279 HydrophobicContact CE1-CG2 3.96Å; F36-I279 HydrophobicContact CZ-CD1 3.82Å; F36-I279 HydrophobicContact CZ-CG1 4.24Å; F36-I279 HydrophobicContact CZ-CG2 4.22Å; F36-I283 HydrophobicContact CD1-CG2 4.17Å; F36-I283 HydrophobicContact CE1-CD1 4.29Å; F36-I283 HydrophobicContact CE1-CG2 4.2Å
37L97.9Very high96.8Very high61 Ų6156.9 Ų56.932%0.31931%0.313SS..Hα-helixtrans-64.8-43.9171.5179.263.1000110.7F33 L35 Y40 V41 L87F33-L37 HydrophobicContact CE1-CD2 3.95Å; F33-L37 HydrophobicContact CZ-CD2 4.29Å; F33-L37 WeakPolarHBondContact O-CB 3.49Å; F33-L37 PolarHBondContact O-N 2.86Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L35-L37 PolarHBondContact O-N 3.43Å; L37-Y40 PolarHBondContact O-N 3.26Å; L37-V41 HydrophobicContact CD1-CG2 4.44Å; L37-V41 WeakPolarHBondContact O-CG2 3.39Å; L37-V41 PolarHBondContact O-N 3.03Å; L37-L87 HydrophobicContact CB-CD1 4.45Å; L37-L87 HydrophobicContact CB-CD2 4.22Å; L37-L87 HydrophobicContact CD1-CD1 4.05Å
38G97.6Very high96.8Very high37 Ų3753.8 Ų53.838%0.38130%0.3SS..Hα-helixtrans-60.9-45.3174.700000112.1F34 L35 Y40 V41 C42F34-G38 PolarHBondContact O-N 3.24Å; L35-G38 PolarHBondContact O-N 3.29Å; G38-Y40 PolarHBondContact O-N 3.1Å; G38-V41 PolarHBondContact O-N 3.34Å; G38-C42 WeakPolarHBondContact O-CB 3.27Å; G38-C42 PolarHBondContact O-N 3.18Å; G38-C42 PolarHBondContact O-SG 3.23Å
39I97Very high96.8Very high21 Ų2151.8 Ų51.811%0.10830%0.297CS..Hα-helixtrans-58.3-49.1175.1-68.6160000110.8L35 F36 V41 C42 S43 I283 M284 M287L35-I39 HydrophobicContact CD1-CD1 4.1Å; L35-I39 HydrophobicContact CG-CD1 3.96Å; L35-I39 WeakPolarHBondContact O-CD1 3.43Å; L35-I39 WeakPolarHBondContact O-CG1 3.46Å; L35-I39 PolarHBondContact O-N 3.15Å; F36-I39 HydrophobicContact CD1-CD1 3.84Å; F36-I39 HydrophobicContact CE1-CD1 4.19Å; F36-I39 HydrophobicContact CG-CD1 4.47Å; F36-I39 PolarHBondContact O-N 3.45Å; I39-V41 PolarHBondContact O-N 3.02Å; I39-C42 WeakPolarHBondContact O-CB 3.48Å; I39-C42 PolarHBondContact O-N 2.77Å; I39-S43 PolarHBondContact O-N 3.26Å; I39-S43 PolarHBondContact O-OG 3.44Å; I39-S43 VanDerWaalsContact O-OG 3.09Å; I39-I283 HydrophobicContact CG2-CG2 3.47Å; I39-I283 VanDerWaalsContact CG2-CG2 3.47Å; I39-M284 HydrophobicContact CB-CE 4.2Å; I39-M284 HydrophobicContact CD1-CE 3.39Å; I39-M284 HydrophobicContact CG1-CE 3.72Å; I39-M284 HydrophobicContact CG2-CE 3.4Å; I39-M284 VanDerWaalsContact CG2-CE 3.4Å; I39-M287 HydrophobicContact CG2-CB 4.02Å; I39-M287 HydrophobicContact CG2-CG 4.07Å
40Y97.2Very high96.8Very high50 Ų5049.8 Ų49.820%0.19629%0.288CS..Hα-helixtrans-57.3-49.2178.9177.8-117.5000112.4F36 L37 G38 C42 S43 V44 T83 P84F36-Y40 VanDerWaalsContact O-CB 3.31Å; F36-Y40 WeakPolarHBondContact O-CB 3.39Å; F36-Y40 PolarHBondContact O-N 3Å; L37-Y40 PolarHBondContact O-N 3.26Å; G38-Y40 PolarHBondContact O-N 3.1Å; Y40-C42 VanDerWaalsContact C-N 3.32Å; Y40-C42 PolarHBondContact O-N 3.25Å; Y40-S43 PolarHBondContact O-N 3.26Å; Y40-V44 HydrophobicContact CD2-CG2 3.98Å; Y40-V44 HydrophobicContact CE1-CG2 4.22Å; Y40-V44 HydrophobicContact CE2-CG2 3.5Å; Y40-V44 VanDerWaalsContact CE2-CG2 3.5Å; Y40-V44 WeakPolarHBondContact O-CG2 3.29Å; Y40-V44 PolarHBondContact O-N 3.1Å; Y40-T83 HydrophobicContact CD2-CG2 3.83Å; Y40-T83 HydrophobicContact CG-CG2 3.95Å; Y40-P84 HydrophobicContact CE2-CG 4.22Å
41V97.7Very high96.9Very high74 Ų7445.5 Ų45.545%0.44827%0.266SS..Hα-helixtrans-61.1-43.5178.7171.80000110.4L37 G38 I39 V44 V45L37-V41 HydrophobicContact CD1-CG2 4.44Å; L37-V41 WeakPolarHBondContact O-CG2 3.39Å; L37-V41 PolarHBondContact O-N 3.03Å; G38-V41 PolarHBondContact O-N 3.34Å; I39-V41 PolarHBondContact O-N 3.02Å; V41-V44 PolarHBondContact O-N 3.35Å; V41-V45 HydrophobicContact CG1-CG2 4.11Å; V41-V45 VanDerWaalsContact O-CB 3.29Å; V41-V45 WeakPolarHBondContact O-CB 3.37Å; V41-V45 VanDerWaalsContact O-CG2 3.25Å; V41-V45 WeakPolarHBondContact O-CG2 3.34Å; V41-V45 PolarHBondContact O-N 3Å
42C96.2Very high96.8Very high57 Ų5745.5 Ų45.539%0.38526%0.264SS..Hα-helixtrans-59.9-46175-74.40000112.3G38 I39 Y40 G46 M287G38-C42 WeakPolarHBondContact O-CB 3.27Å; G38-C42 PolarHBondContact O-N 3.18Å; G38-C42 PolarHBondContact O-SG 3.23Å; I39-C42 WeakPolarHBondContact O-CB 3.48Å; I39-C42 PolarHBondContact O-N 2.77Å; Y40-C42 VanDerWaalsContact C-N 3.32Å; Y40-C42 PolarHBondContact O-N 3.25Å; C42-G46 WeakPolarHBondContact O-CA 3.34Å; C42-G46 PolarHBondContact O-N 3.47Å; C42-M287 HydrophobicContact CB-CG 4.09Å
43S96.4Very high96.8Very high2 Ų244.7 Ų44.71%0.01426%0.26CS..Hα-helixtrans-60.9-49.1177.1-59.30000111.4I39 Y40 N47 M287I39-S43 PolarHBondContact O-N 3.26Å; I39-S43 PolarHBondContact O-OG 3.44Å; I39-S43 VanDerWaalsContact O-OG 3.09Å; Y40-S43 PolarHBondContact O-N 3.26Å; S43-N47 VanDerWaalsContact O-CB 3.28Å; S43-N47 WeakPolarHBondContact O-CB 3.46Å; S43-N47 PolarHBondContact O-N 2.91Å; S43-N47 PolarHBondContact O-ND2 3.04Å; S43-M287 WeakPolarHBondContact OG-CA 3.45Å; S43-M287 VanDerWaalsContact OG-CB 3.26Å; S43-M287 WeakPolarHBondContact OG-CB 3.18Å; S43-M287 PolarHBondContact OG-N 3.17Å
44V97.3Very high96.7Very high23 Ų2342.9 Ų42.914%0.13925%0.252CS..Hα-helixtrans-64.4-51.1-178.5169.60000111Y40 V41 L48 F76Y40-V44 HydrophobicContact CD2-CG2 3.98Å; Y40-V44 HydrophobicContact CE1-CG2 4.22Å; Y40-V44 HydrophobicContact CE2-CG2 3.5Å; Y40-V44 VanDerWaalsContact CE2-CG2 3.5Å; Y40-V44 WeakPolarHBondContact O-CG2 3.29Å; Y40-V44 PolarHBondContact O-N 3.1Å; V41-V44 PolarHBondContact O-N 3.35Å; V44-L48 HydrophobicContact CG1-CD1 3.68Å; V44-L48 HydrophobicContact CG1-CG 4.34Å; V44-L48 WeakPolarHBondContact O-CB 3.37Å; V44-L48 VanDerWaalsContact O-CG 3.29Å; V44-L48 WeakPolarHBondContact O-CG 3.3Å; V44-L48 PolarHBondContact O-N 3.03Å; V44-F76 HydrophobicContact CB-CD2 4.49Å; V44-F76 HydrophobicContact CG1-CD2 4.16Å; V44-F76 HydrophobicContact CG1-CE2 3.93Å; V44-F76 HydrophobicContact CG2-CD2 4.22Å; V44-F76 HydrophobicContact CG2-CE2 4.29Å
45V96.4Very high96.7Very high95 Ų9541.2 Ų41.258%0.57625%0.252SS*.Hα-helixtrans-65.5-42.8-178.6173.10000111.1V41 G49V41-V45 HydrophobicContact CG1-CG2 4.11Å; V41-V45 VanDerWaalsContact O-CB 3.29Å; V41-V45 WeakPolarHBondContact O-CB 3.37Å; V41-V45 VanDerWaalsContact O-CG2 3.25Å; V41-V45 WeakPolarHBondContact O-CG2 3.34Å; V41-V45 PolarHBondContact O-N 3Å; V45-G49 WeakPolarHBondContact O-CA 3.29Å; V45-G49 PolarHBondContact O-N 2.91Å
46G95.5Very high96.6Very high22 Ų2240.7 Ų40.723%0.22725%0.249CC..Hα-helixtrans-63.1-49-179.900000112.3C42 L50C42-G46 WeakPolarHBondContact O-CA 3.34Å; C42-G46 PolarHBondContact O-N 3.47Å; G46-L50 WeakPolarHBondContact O-CB 3.48Å; G46-L50 PolarHBondContact O-N 3.26Å
47N97.2Very high96.6Very high1 Ų140.4 Ų40.41%0.00525%0.248CC..Hα-helixtrans-74-46-177.5-72.9-62.8000112.4S43 G49 L50 L51 S72 F76 P286 P290S43-N47 VanDerWaalsContact O-CB 3.28Å; S43-N47 WeakPolarHBondContact O-CB 3.46Å; S43-N47 PolarHBondContact O-N 2.91Å; S43-N47 PolarHBondContact O-ND2 3.04Å; N47-G49 VanDerWaalsContact C-N 3.29Å; N47-G49 PolarHBondContact O-N 2.98Å; N47-L50 PolarHBondContact O-N 3.3Å; N47-L51 WeakPolarHBondContact O-CG 3.48Å; N47-L51 PolarHBondContact O-N 3.36Å; N47-S72 WeakPolarHBondContact CB-O 3.43Å; N47-S72 WeakPolarHBondContact OD1-CA 3.25Å; N47-F76 HydrophobicContact CB-CB 4.19Å; N47-P286 PolarHBondContact ND2-O 2.95Å; N47-P290 WeakPolarHBondContact OD1-CG 3.46Å
48L97.1Very high96.4Very high67 Ų6742.2 Ų42.235%0.35126%0.264SS..Hα-helixtrans-61.1-40.2173.6-70.1-180000111.6V44 L50 L51 V52 F76V44-L48 HydrophobicContact CG1-CD1 3.68Å; V44-L48 HydrophobicContact CG1-CG 4.34Å; V44-L48 WeakPolarHBondContact O-CB 3.37Å; V44-L48 VanDerWaalsContact O-CG 3.29Å; V44-L48 WeakPolarHBondContact O-CG 3.3Å; V44-L48 PolarHBondContact O-N 3.03Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 3.44Å; L48-L51 HydrophobicContact CD2-CD1 4.09Å; L48-L51 WeakPolarHBondContact O-CB 3.29Å; L48-L51 PolarHBondContact O-N 3.37Å; L48-V52 WeakPolarHBondContact O-CG2 3.44Å; L48-V52 PolarHBondContact O-N 3Å; L48-F76 HydrophobicContact CD1-CD2 4.08Å; L48-F76 HydrophobicContact CD1-CE2 3.76Å; L48-F76 HydrophobicContact CD1-CZ 4.29Å; L48-F76 HydrophobicContact CD2-CD1 3.93Å; L48-F76 HydrophobicContact CD2-CD2 3.78Å; L48-F76 HydrophobicContact CD2-CE1 4.04Å; L48-F76 HydrophobicContact CD2-CE2 3.91Å; L48-F76 HydrophobicContact CD2-CG 3.8Å; L48-F76 HydrophobicContact CD2-CZ 4.03Å; L48-F76 HydrophobicContact CG-CD2 3.71Å; L48-F76 HydrophobicContact CG-CE2 3.89Å; L48-F76 HydrophobicContact CG-CG 4.17Å; L48-F76 HydrophobicContact CG-CZ 4.47Å
49G95.1Very high96.3Very high31 Ų3143.7 Ų43.732%0.3226%0.261SS..Hα-helixtrans-58.8-45.5174.700000112V45 N47 V52 L53V45-G49 WeakPolarHBondContact O-CA 3.29Å; V45-G49 PolarHBondContact O-N 2.91Å; N47-G49 VanDerWaalsContact C-N 3.29Å; N47-G49 PolarHBondContact O-N 2.98Å; G49-V52 PolarHBondContact O-N 3.46Å; G49-L53 WeakPolarHBondContact O-CB 2.95Å; G49-L53 VanDerWaalsContact O-CG 3.27Å; G49-L53 WeakPolarHBondContact O-CG 3.27Å; G49-L53 PolarHBondContact O-N 3.3Å
50L95.2Very high96.2Very high5 Ų542.7 Ų42.73%0.02626%0.255CS..Hα-helixtrans-64.5-42177.5-17652.7000112.2G46 N47 L48 V52 L53 I54 S72G46-L50 WeakPolarHBondContact O-CB 3.48Å; G46-L50 PolarHBondContact O-N 3.26Å; N47-L50 PolarHBondContact O-N 3.3Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 3.44Å; L50-V52 PolarHBondContact O-N 3.14Å; L50-L53 PolarHBondContact O-N 3.4Å; L50-I54 HydrophobicContact CD1-CD1 3.91Å; L50-I54 HydrophobicContact CD1-CG1 4.14Å; L50-I54 HydrophobicContact CG-CD1 3.92Å; L50-I54 VanDerWaalsContact O-CG1 3.3Å; L50-I54 WeakPolarHBondContact O-CG1 3.25Å; L50-I54 PolarHBondContact O-N 2.88Å; L50-S72 VanDerWaalsContact CD2-OG 3.25Å; L50-S72 WeakPolarHBondContact CD2-OG 3.34Å
51L96.9Very high96.1Very high18 Ų1846 Ų469%0.09427%0.273CS..Hα-helixtrans-55.6-51.5173.3-67.3174.4000111.4N47 L48 L53 I54 V55 F69 F73N47-L51 WeakPolarHBondContact O-CG 3.48Å; N47-L51 PolarHBondContact O-N 3.36Å; L48-L51 HydrophobicContact CD2-CD1 4.09Å; L48-L51 WeakPolarHBondContact O-CB 3.29Å; L48-L51 PolarHBondContact O-N 3.37Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 3.05Å; L51-I54 PolarHBondContact O-N 3.12Å; L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 3.19Å; L51-F69 HydrophobicContact CB-CD2 4.43Å; L51-F69 HydrophobicContact CB-CE2 4.27Å; L51-F69 HydrophobicContact CD2-CB 4.45Å; L51-F69 HydrophobicContact CD2-CD1 4.34Å; L51-F69 HydrophobicContact CD2-CD2 3.39Å; L51-F69 HydrophobicContact CD2-CE1 4.45Å; L51-F69 HydrophobicContact CD2-CE2 3.53Å; L51-F69 HydrophobicContact CD2-CG 3.82Å; L51-F69 HydrophobicContact CD2-CZ 4.07Å; L51-F69 WeakPolarHBondContact CD2-O 3.34Å; L51-F69 HydrophobicContact CG-CE2 4.49Å; L51-F73 HydrophobicContact CD1-CB 4.39Å; L51-F73 HydrophobicContact CD2-CB 4.07Å
52V96.3Very high96Very high75 Ų7545.1 Ų45.146%0.45527%0.267SS..Hα-helixtrans-61.3-43.4179.6170.80000111L48 G49 L50 I54 V55 L56L48-V52 WeakPolarHBondContact O-CG2 3.44Å; L48-V52 PolarHBondContact O-N 3Å; G49-V52 PolarHBondContact O-N 3.46Å; L50-V52 PolarHBondContact O-N 3.14Å; V52-I54 PolarHBondContact O-N 3.27Å; V52-V55 PolarHBondContact O-N 3.49Å; V52-L56 HydrophobicContact CG1-CD1 3.57Å; V52-L56 HydrophobicContact CG1-CG 4.15Å; V52-L56 WeakPolarHBondContact O-CB 2.9Å; V52-L56 VanDerWaalsContact O-CG 3.27Å; V52-L56 WeakPolarHBondContact O-CG 3.33Å; V52-L56 PolarHBondContact O-N 3.42Å
53L95.7Very high96Very high19 Ų1943.5 Ų43.510%0.09926%0.256CS..Hα-helixtrans-61.2-44.3178.5-73.7177.5000112G49 L50 L51 N57 L60 V300 A303 L304 T307G49-L53 WeakPolarHBondContact O-CB 2.95Å; G49-L53 VanDerWaalsContact O-CG 3.27Å; G49-L53 WeakPolarHBondContact O-CG 3.27Å; G49-L53 PolarHBondContact O-N 3.3Å; L50-L53 PolarHBondContact O-N 3.4Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 3.05Å; L53-N57 VanDerWaalsContact O-CB 3.3Å; L53-N57 WeakPolarHBondContact O-CB 3.38Å; L53-N57 PolarHBondContact O-N 2.82Å; L53-N57 PolarHBondContact O-ND2 3.32Å; L53-L60 HydrophobicContact CB-CD1 4.47Å; L53-V300 HydrophobicContact CD1-CG1 3.91Å; L53-A303 HydrophobicContact CD2-CB 4.43Å; L53-L304 HydrophobicContact CD1-CB 4.34Å; L53-L304 HydrophobicContact CD1-CD1 4.43Å; L53-L304 HydrophobicContact CD2-CB 4.41Å; L53-L304 HydrophobicContact CD2-CD1 4.35Å; L53-T307 HydrophobicContact CD2-CG2 4.46Å
54I95.8Very high95.9Very high9 Ų944.8 Ų44.85%0.04626%0.262CS..Hα-helixtrans-62.5-47.8179-67.3163.7000110.1L50 L51 V52 L56 N57 L60 H61 Y65 L68 F69L50-I54 HydrophobicContact CD1-CD1 3.91Å; L50-I54 HydrophobicContact CD1-CG1 4.14Å; L50-I54 HydrophobicContact CG-CD1 3.92Å; L50-I54 VanDerWaalsContact O-CG1 3.3Å; L50-I54 WeakPolarHBondContact O-CG1 3.25Å; L50-I54 PolarHBondContact O-N 2.88Å; L51-I54 PolarHBondContact O-N 3.12Å; V52-I54 PolarHBondContact O-N 3.27Å; I54-L56 PolarHBondContact O-N 2.96Å; I54-N57 PolarHBondContact O-N 2.92Å; I54-L60 HydrophobicContact CG1-CD1 4.22Å; I54-H61 PolarHBondContact O-CD2 2.89Å; I54-H61 PolarHBondContact O-NE2 3.14Å; I54-H61 VanDerWaalsContact O-NE2 3.1Å; I54-Y65 HydrophobicContact CD1-CD1 4.41Å; I54-Y65 HydrophobicContact CG1-CD1 4.31Å; I54-L68 HydrophobicContact CD1-CB 4.34Å; I54-F69 HydrophobicContact CB-CD2 4.43Å; I54-F69 HydrophobicContact CD1-CB 3.92Å; I54-F69 HydrophobicContact CG2-CB 4.27Å; I54-F69 HydrophobicContact CG2-CD2 4.3Å
55V96.8Very high95.8Very high88 Ų8843.8 Ų43.853%0.53326%0.256SS..Hα-helixtrans-62.6-41.2-179.3171.40000112.6L51 V52 F69L51-V55 WeakPolarHBondContact O-CG2 3.39Å; L51-V55 PolarHBondContact O-N 3.19Å; V52-V55 PolarHBondContact O-N 3.49Å; V55-F69 HydrophobicContact CG2-CD2 4.35Å; V55-F69 HydrophobicContact CG2-CE2 3.73Å
56L96.4Very high95.9Very high89 Ų8941.5 Ų41.547%0.46624%0.237SC..Hα-helixtrans-81.7-11.8-174.4-66.7-178.8000114.3V52 I54 T307V52-L56 HydrophobicContact CG1-CD1 3.57Å; V52-L56 HydrophobicContact CG1-CG 4.15Å; V52-L56 WeakPolarHBondContact O-CB 2.9Å; V52-L56 VanDerWaalsContact O-CG 3.27Å; V52-L56 WeakPolarHBondContact O-CG 3.33Å; V52-L56 PolarHBondContact O-N 3.42Å; I54-L56 PolarHBondContact O-N 2.96Å; L56-T307 HydrophobicContact CD1-CG2 3.97Å
57N96.2Very high96Very high4 Ų440.5 Ų40.52%0.02123%0.227CC..  trans-124.498.1-171.4-70.5-87.3000111.5L53 I54 H59 L60 A303 T307L53-N57 VanDerWaalsContact O-CB 3.3Å; L53-N57 WeakPolarHBondContact O-CB 3.38Å; L53-N57 PolarHBondContact O-N 2.82Å; L53-N57 PolarHBondContact O-ND2 3.32Å; I54-N57 PolarHBondContact O-N 2.92Å; N57-H59 PolarHBondContact O-N 2.83Å; N57-L60 HydrophobicContact CB-CD1 4.1Å; N57-L60 HydrophobicContact CB-CG 4.08Å; N57-L60 WeakPolarHBondContact O-CB 3.5Å; N57-L60 PolarHBondContact O-N 3.44Å; N57-A303 HydrophobicContact CB-CB 4.06Å; N57-T307 PolarHBondContact ND2-OG1 3.01Å; N57-T307 VanDerWaalsContact ND2-OG1 3.15Å
58P95Very high95.9Very high99 Ų9940.7 Ų40.764%0.64323%0.227SC*.G310 helixtrans-56.5-26.3-179.1-28.535.5000115.2L60 H61P58-L60 PolarHBondContact O-N 2.85Å; P58-H61 WeakPolarHBondContact O-CB 3.08Å; P58-H61 PolarHBondContact O-N 3.42Å
59H94.7Very high96Very high69 Ų6940.8 Ų40.832%0.31923%0.225SC..G310 helixtrans-68.7-14.8176.172.1-93.5000113.2N57 D299N57-H59 PolarHBondContact O-N 2.83Å; H59-D299 PolarHBondContact NE2-O 3.3Å
60L94.9Very high96.1Very high0 Ų039.8 Ų39.80%021%0.213CC..G310 helixtrans-89.4-0.1170.6-59.9-176.9000112.5L53 I54 N57 P58 T62 Y65 D299 A303L53-L60 HydrophobicContact CB-CD1 4.47Å; I54-L60 HydrophobicContact CG1-CD1 4.22Å; N57-L60 HydrophobicContact CB-CD1 4.1Å; N57-L60 HydrophobicContact CB-CG 4.08Å; N57-L60 WeakPolarHBondContact O-CB 3.5Å; N57-L60 PolarHBondContact O-N 3.44Å; P58-L60 PolarHBondContact O-N 2.85Å; L60-T62 PolarHBondContact O-N 3.42Å; L60-Y65 HydrophobicContact CB-CD2 4.02Å; L60-Y65 HydrophobicContact CB-CE2 4.49Å; L60-Y65 HydrophobicContact CB-CG 4.1Å; L60-Y65 HydrophobicContact CD2-CD1 4.33Å; L60-Y65 HydrophobicContact CD2-CD2 3.87Å; L60-Y65 HydrophobicContact CD2-CE1 3.96Å; L60-Y65 HydrophobicContact CD2-CE2 3.45Å; L60-Y65 VanDerWaalsContact CD2-CE2 3.45Å; L60-Y65 HydrophobicContact CD2-CG 4.32Å; L60-Y65 WeakPolarHBondContact O-CB 3.19Å; L60-Y65 WeakPolarHBondContact O-CD2 3.37Å; L60-D299 HydrophobicContact CD2-CB 3.78Å; L60-A303 HydrophobicContact CD1-CB 3.64Å; L60-A303 HydrophobicContact CG-CB 4.23Å
61H95.8Very high96.2Very high120 Ų12039.7 Ų39.756%0.55621%0.212SC*.  trans-79.960.3-179.6-63.6-173.8000111.6I54 P58I54-H61 PolarHBondContact O-CD2 2.89Å; I54-H61 PolarHBondContact O-NE2 3.14Å; I54-H61 VanDerWaalsContact O-NE2 3.1Å; P58-H61 WeakPolarHBondContact O-CB 3.08Å; P58-H61 PolarHBondContact O-N 3.42Å
62T95Very high96.3Very high54 Ų5438.9 Ų38.933%0.33121%0.208SC..SBendtrans-109.9160174.972.40000110.5L60 M64 Y65 Y66L60-T62 PolarHBondContact O-N 3.42Å; T62-M64 VanDerWaalsContact C-N 3.28Å; T62-M64 PolarHBondContact O-N 3.21Å; T62-Y65 PolarHBondContact O-N 2.96Å; T62-Y65 VanDerWaalsContact O-N 3.12Å; T62-Y65 VanDerWaalsContact OG1-CD2 3.29Å; T62-Y65 WeakPolarHBondContact OG1-CD2 3.37Å; T62-Y66 WeakPolarHBondContact O-CB 3.46Å; T62-Y66 PolarHBondContact O-N 2.99Å
63P96.6Very high96.4Very high24 Ų2439.2 Ų39.216%0.15620%0.204CC..Hα-helixtrans-53.2-42.7177.8-29.738000113.7Y65 Y66 F67 Y136 M140P63-Y65 PolarHBondContact O-N 3.37Å; P63-Y66 WeakPolarHBondContact O-CB 3.1Å; P63-Y66 PolarHBondContact O-N 3.2Å; P63-F67 WeakPolarHBondContact O-CD2 3.44Å; P63-F67 PolarHBondContact O-N 2.83Å; P63-F67 VanDerWaalsContact O-N 3.08Å; P63-Y136 HydrophobicContact CG-CE1 4.42Å; P63-M140 HydrophobicContact CB-CB 4.05Å; P63-M140 HydrophobicContact CB-SD 4.46Å; P63-M140 HydrophobicContact CG-CB 3.93Å; P63-M140 WeakPolarHBondContact CG-O 3.43Å
64M94.6Very high96.5Very high28 Ų2838.3 Ų38.314%0.13820%0.199CC..Hα-helixtrans-56.3-49.1176.2-174.7-160.376.900112.3T62 Y66 F67 L68T62-M64 VanDerWaalsContact C-N 3.28Å; T62-M64 PolarHBondContact O-N 3.21Å; M64-Y66 VanDerWaalsContact C-N 3.35Å; M64-F67 PolarHBondContact O-N 3.24Å; M64-L68 HydrophobicContact CE-CD1 4.11Å; M64-L68 PolarHBondContact O-N 3.18Å; M64-L68 VanDerWaalsContact O-N 3.08Å
65Y95.2Very high96.5Very high3 Ų337.9 Ų37.91%0.01220%0.197CC..Hα-helixtrans-74.2-26.9180-78.8-63.3000112.7I54 L60 T62 P63 F67 L68 F69 N297 D299 V300I54-Y65 HydrophobicContact CD1-CD1 4.41Å; I54-Y65 HydrophobicContact CG1-CD1 4.31Å; L60-Y65 HydrophobicContact CB-CD2 4.02Å; L60-Y65 HydrophobicContact CB-CE2 4.49Å; L60-Y65 HydrophobicContact CB-CG 4.1Å; L60-Y65 HydrophobicContact CD2-CD1 4.33Å; L60-Y65 HydrophobicContact CD2-CD2 3.87Å; L60-Y65 HydrophobicContact CD2-CE1 3.96Å; L60-Y65 HydrophobicContact CD2-CE2 3.45Å; L60-Y65 VanDerWaalsContact CD2-CE2 3.45Å; L60-Y65 HydrophobicContact CD2-CG 4.32Å; L60-Y65 WeakPolarHBondContact O-CB 3.19Å; L60-Y65 WeakPolarHBondContact O-CD2 3.37Å; T62-Y65 PolarHBondContact O-N 2.96Å; T62-Y65 VanDerWaalsContact O-N 3.12Å; T62-Y65 VanDerWaalsContact OG1-CD2 3.29Å; T62-Y65 WeakPolarHBondContact OG1-CD2 3.37Å; P63-Y65 PolarHBondContact O-N 3.37Å; Y65-F67 VanDerWaalsContact C-N 3.34Å; Y65-L68 HydrophobicContact CD1-CD1 3.73Å; Y65-L68 HydrophobicContact CE1-CD1 3.96Å; Y65-L68 PolarHBondContact O-N 3.36Å; Y65-F69 WeakPolarHBondContact O-CB 3.45Å; Y65-F69 PolarHBondContact O-N 2.61Å; Y65-N297 PolarHBondContact OH-ND2 3Å; Y65-N297 PolarHBondContact OH-OD1 2.94Å; Y65-D299 HydrophobicContact CE2-CB 4.31Å; Y65-D299 WeakPolarHBondContact OH-CB 3.46Å; Y65-V300 HydrophobicContact CE1-CG2 3.66Å
66Y97.5Very high96.5Very high47 Ų4736.2 Ų36.218%0.18418%0.182CC..Hα-helixtrans-62.8-41.4171.3173.3-90.1000111.6T62 P63 M64 F69 N70 C145 T149T62-Y66 WeakPolarHBondContact O-CB 3.46Å; T62-Y66 PolarHBondContact O-N 2.99Å; P63-Y66 WeakPolarHBondContact O-CB 3.1Å; P63-Y66 PolarHBondContact O-N 3.2Å; M64-Y66 VanDerWaalsContact C-N 3.35Å; Y66-F69 WeakPolarHBondContact O-CB 3.2Å; Y66-F69 PolarHBondContact O-N 3.19Å; Y66-N70 PolarHBondContact O-N 3.23Å; Y66-N70 PolarHBondContact O-ND2 3.34Å; Y66-C145 HydrophobicContact CD1-CB 3.68Å; Y66-C145 HydrophobicContact CE1-CB 3.69Å; Y66-C145 HydrophobicContact CG-CB 4.49Å; Y66-T149 WeakPolarHBondContact CE1-OG1 3.44Å; Y66-T149 PolarHBondContact OH-OG1 3.08Å
67F97.8Very high96.6Very high1 Ų133 Ų330%0.00417%0.167CC..Hα-helixtrans-69.5-37.4172.1-67.6-60000112.4P63 M64 Y65 F69 N70 L71 I118 A121 M122 D125 M140 C145 M148P63-F67 WeakPolarHBondContact O-CD2 3.44Å; P63-F67 PolarHBondContact O-N 2.83Å; P63-F67 VanDerWaalsContact O-N 3.08Å; M64-F67 PolarHBondContact O-N 3.24Å; Y65-F67 VanDerWaalsContact C-N 3.34Å; F67-F69 VanDerWaalsContact C-N 3.3Å; F67-F69 PolarHBondContact O-N 2.99Å; F67-N70 PolarHBondContact O-N 3.39Å; F67-L71 WeakPolarHBondContact O-CB 3.42Å; F67-L71 PolarHBondContact O-N 2.88Å; F67-I118 HydrophobicContact CB-CG2 4.39Å; F67-A121 HydrophobicContact CD1-CB 3.93Å; F67-A121 HydrophobicContact CE1-CB 3.61Å; F67-A121 HydrophobicContact CE2-CB 4.43Å; F67-A121 HydrophobicContact CG-CB 4.48Å; F67-A121 HydrophobicContact CZ-CB 3.89Å; F67-M122 HydrophobicContact CB-CG 3.53Å; F67-M122 HydrophobicContact CB-SD 4.32Å; F67-M122 HydrophobicContact CG-CG 4.21Å; F67-D125 HydrophobicContact CD2-CB 4.33Å; F67-D125 HydrophobicContact CE2-CB 4.26Å; F67-M140 HydrophobicContact CE2-SD 4.13Å; F67-C145 HydrophobicContact CZ-CB 4.15Å; F67-M148 HydrophobicContact CE1-CB 4.47Å; F67-M148 HydrophobicContact CZ-CE 4.02Å; F67-M148 HydrophobicContact CZ-SD 3.97Å
68L96.3Very high96.3Very high4 Ų432.9 Ų32.92%0.02117%0.166CC..Hα-helixtrans-63.3-34.4173.4-73.4173.2000113.1I54 M64 Y65 L71 S72 M122 Y293I54-L68 HydrophobicContact CD1-CB 4.34Å; M64-L68 HydrophobicContact CE-CD1 4.11Å; M64-L68 PolarHBondContact O-N 3.18Å; M64-L68 VanDerWaalsContact O-N 3.08Å; Y65-L68 HydrophobicContact CD1-CD1 3.73Å; Y65-L68 HydrophobicContact CE1-CD1 3.96Å; Y65-L68 PolarHBondContact O-N 3.36Å; L68-L71 HydrophobicContact CD2-CD2 4.39Å; L68-L71 PolarHBondContact O-N 2.94Å; L68-S72 WeakPolarHBondContact O-CB 3.2Å; L68-S72 PolarHBondContact O-N 3.47Å; L68-S72 PolarHBondContact O-OG 3.01Å; L68-M122 HydrophobicContact CD2-CE 3.52Å; L68-M122 HydrophobicContact CD2-SD 4.41Å; L68-M122 HydrophobicContact CG-CE 4.11Å; L68-Y293 HydrophobicContact CD2-CD1 3.88Å; L68-Y293 HydrophobicContact CD2-CD2 3.55Å; L68-Y293 HydrophobicContact CD2-CE1 4.36Å; L68-Y293 HydrophobicContact CD2-CE2 4.08Å; L68-Y293 HydrophobicContact CD2-CG 3.44Å; L68-Y293 VanDerWaalsContact CD2-CG 3.44Å
69F97.6Very high96.3Very high69 Ų6928.1 Ų28.130%0.30314%0.136SC..Hα-helixtrans-60.4-49.8172.5174.7-88000110.3L51 I54 V55 Y65 Y66 F67 L71 S72 F73L51-F69 HydrophobicContact CB-CD2 4.43Å; L51-F69 HydrophobicContact CB-CE2 4.27Å; L51-F69 HydrophobicContact CD2-CB 4.45Å; L51-F69 HydrophobicContact CD2-CD1 4.34Å; L51-F69 HydrophobicContact CD2-CD2 3.39Å; L51-F69 HydrophobicContact CD2-CE1 4.45Å; L51-F69 HydrophobicContact CD2-CE2 3.53Å; L51-F69 HydrophobicContact CD2-CG 3.82Å; L51-F69 HydrophobicContact CD2-CZ 4.07Å; L51-F69 WeakPolarHBondContact CD2-O 3.34Å; L51-F69 HydrophobicContact CG-CE2 4.49Å; I54-F69 HydrophobicContact CB-CD2 4.43Å; I54-F69 HydrophobicContact CD1-CB 3.92Å; I54-F69 HydrophobicContact CG2-CB 4.27Å; I54-F69 HydrophobicContact CG2-CD2 4.3Å; V55-F69 HydrophobicContact CG2-CD2 4.35Å; V55-F69 HydrophobicContact CG2-CE2 3.73Å; Y65-F69 WeakPolarHBondContact O-CB 3.45Å; Y65-F69 PolarHBondContact O-N 2.61Å; Y66-F69 WeakPolarHBondContact O-CB 3.2Å; Y66-F69 PolarHBondContact O-N 3.19Å; F67-F69 VanDerWaalsContact C-N 3.3Å; F67-F69 PolarHBondContact O-N 2.99Å; F69-L71 PolarHBondContact O-N 3.48Å; F69-S72 PolarHBondContact O-N 3.4Å; F69-F73 WeakPolarHBondContact O-CB 3.38Å; F69-F73 PolarHBondContact O-N 3.42Å
70N98.3Very high96.4Very high11 Ų1127.4 Ų27.46%0.05914%0.136CC..Hα-helixtrans-64-42177.8-75.9-82.3000112.1Y66 F67 S72 F73 V74 I118 T149 Y153Y66-N70 PolarHBondContact O-N 3.23Å; Y66-N70 PolarHBondContact O-ND2 3.34Å; F67-N70 PolarHBondContact O-N 3.39Å; N70-S72 PolarHBondContact O-N 3.08Å; N70-F73 PolarHBondContact O-N 3.44Å; N70-V74 WeakPolarHBondContact O-CG2 3.28Å; N70-V74 PolarHBondContact O-N 3.43Å; N70-I118 HydrophobicContact CB-CD1 3.84Å; N70-I118 HydrophobicContact CB-CG1 4.42Å; N70-T149 WeakPolarHBondContact OD1-CG2 3.36Å; N70-Y153 WeakPolarHBondContact OD1-CE2 3.4Å; N70-Y153 PolarHBondContact OD1-OH 3.01Å
71L97.7Very high96.5Very high2 Ų229 Ų291%0.0115%0.146CC..Hα-helixtrans-59.1-48.1175.4-174.961.6000111.2F67 L68 F69 F73 V74 D75 E115 I118 L119 M122 Y293F67-L71 WeakPolarHBondContact O-CB 3.42Å; F67-L71 PolarHBondContact O-N 2.88Å; L68-L71 HydrophobicContact CD2-CD2 4.39Å; L68-L71 PolarHBondContact O-N 2.94Å; F69-L71 PolarHBondContact O-N 3.48Å; L71-F73 VanDerWaalsContact C-N 3.28Å; L71-F73 PolarHBondContact O-N 2.89Å; L71-V74 PolarHBondContact O-N 2.8Å; L71-D75 WeakPolarHBondContact O-CB 3.38Å; L71-D75 VanDerWaalsContact O-CG 3.23Å; L71-D75 PolarHBondContact O-N 2.96Å; L71-E115 HydrophobicContact CD1-CG 3.85Å; L71-I118 HydrophobicContact CB-CG2 3.85Å; L71-I118 HydrophobicContact CD1-CG2 4.32Å; L71-L119 HydrophobicContact CD2-CD2 4.21Å; L71-M122 HydrophobicContact CD2-SD 4.05Å; L71-Y293 HydrophobicContact CD2-CD2 4.33Å; L71-Y293 HydrophobicContact CD2-CE2 3.75Å
72S97.7Very high96.4Very high2 Ų223.4 Ų23.41%0.01412%0.12CC..Hα-helixtrans-63.6-35.6179.7-52.10000112.1N47 L50 L68 F69 N70 F76N47-S72 WeakPolarHBondContact CB-O 3.43Å; N47-S72 WeakPolarHBondContact OD1-CA 3.25Å; L50-S72 VanDerWaalsContact CD2-OG 3.25Å; L50-S72 WeakPolarHBondContact CD2-OG 3.34Å; L68-S72 WeakPolarHBondContact O-CB 3.2Å; L68-S72 PolarHBondContact O-N 3.47Å; L68-S72 PolarHBondContact O-OG 3.01Å; F69-S72 PolarHBondContact O-N 3.4Å; N70-S72 PolarHBondContact O-N 3.08Å; S72-F76 VanDerWaalsContact O-CB 3.28Å; S72-F76 WeakPolarHBondContact O-CB 3.42Å; S72-F76 PolarHBondContact O-N 3.36Å
73F98.2Very high96.4Very high82 Ų8220.9 Ų20.936%0.3610%0.104SC..Hα-helixtrans-66.8-45176175.7-104.4000111.5L51 F69 N70 L71 C77L51-F73 HydrophobicContact CD1-CB 4.39Å; L51-F73 HydrophobicContact CD2-CB 4.07Å; F69-F73 WeakPolarHBondContact O-CB 3.38Å; F69-F73 PolarHBondContact O-N 3.42Å; N70-F73 PolarHBondContact O-N 3.44Å; L71-F73 VanDerWaalsContact C-N 3.28Å; L71-F73 PolarHBondContact O-N 2.89Å; F73-C77 PolarHBondContact O-N 3.11Å; F73-C77 PolarHBondContact O-SG 3.34Å
74V97.9Very high96.4Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-59.4-54.4173.8169.80000109.7N70 L71 F76 C77 Y78 F111 N114 E115 I118 Y153N70-V74 WeakPolarHBondContact O-CG2 3.28Å; N70-V74 PolarHBondContact O-N 3.43Å; L71-V74 PolarHBondContact O-N 2.8Å; V74-F76 VanDerWaalsContact C-N 3.29Å; V74-F76 PolarHBondContact O-N 3.42Å; V74-C77 PolarHBondContact O-N 3.24Å; V74-C77 VanDerWaalsContact O-N 3.13Å; V74-Y78 WeakPolarHBondContact O-CB 3.22Å; V74-Y78 PolarHBondContact O-N 3.08Å; V74-F111 HydrophobicContact CB-CD1 4.48Å; V74-F111 HydrophobicContact CG1-CB 3.96Å; V74-F111 HydrophobicContact CG1-CD1 4.18Å; V74-F111 HydrophobicContact CG1-CG 4.47Å; V74-F111 VanDerWaalsContact CG1-O 3.3Å; V74-F111 WeakPolarHBondContact CG1-O 3.08Å; V74-F111 HydrophobicContact CG2-CD1 4.27Å; V74-N114 HydrophobicContact CG1-CB 4.36Å; V74-N114 HydrophobicContact CG2-CB 3.87Å; V74-E115 HydrophobicContact CG1-CB 4.1Å; V74-I118 HydrophobicContact CG2-CD1 3.8Å; V74-Y153 HydrophobicContact CG2-CE1 4.41Å
75D96.9Very high96.4Very high0 Ų023.2 Ų23.20%012%0.116CC..Hα-helixtrans-54.9-41.4-180-74.9-0.7000112.9L71 S79 P286 N289L71-D75 WeakPolarHBondContact O-CB 3.38Å; L71-D75 VanDerWaalsContact O-CG 3.23Å; L71-D75 PolarHBondContact O-N 2.96Å; D75-S79 VanDerWaalsContact O-CB 3.25Å; D75-S79 WeakPolarHBondContact O-CB 3.49Å; D75-S79 PolarHBondContact O-N 3.42Å; D75-S79 PolarHBondContact O-OG 3.46Å; D75-P286 HydrophobicContact CB-CB 3.86Å; D75-P286 HydrophobicContact CB-CG 4.38Å; D75-N289 WeakPolarHBondContact OD2-CB 3.22Å; D75-N289 PolarHBondContact OD2-ND2 2.99Å
76F97.4Very high96.4Very high53 Ų5323.1 Ų23.123%0.23212%0.116CC..Hα-helixtrans-64.5-52.1175.9164.9-108000112V44 N47 L48 S72 V74 Y78 S79 T80V44-F76 HydrophobicContact CB-CD2 4.49Å; V44-F76 HydrophobicContact CG1-CD2 4.16Å; V44-F76 HydrophobicContact CG1-CE2 3.93Å; V44-F76 HydrophobicContact CG2-CD2 4.22Å; V44-F76 HydrophobicContact CG2-CE2 4.29Å; N47-F76 HydrophobicContact CB-CB 4.19Å; L48-F76 HydrophobicContact CD1-CD2 4.08Å; L48-F76 HydrophobicContact CD1-CE2 3.76Å; L48-F76 HydrophobicContact CD1-CZ 4.29Å; L48-F76 HydrophobicContact CD2-CD1 3.93Å; L48-F76 HydrophobicContact CD2-CD2 3.78Å; L48-F76 HydrophobicContact CD2-CE1 4.04Å; L48-F76 HydrophobicContact CD2-CE2 3.91Å; L48-F76 HydrophobicContact CD2-CG 3.8Å; L48-F76 HydrophobicContact CD2-CZ 4.03Å; L48-F76 HydrophobicContact CG-CD2 3.71Å; L48-F76 HydrophobicContact CG-CE2 3.89Å; L48-F76 HydrophobicContact CG-CG 4.17Å; L48-F76 HydrophobicContact CG-CZ 4.47Å; S72-F76 VanDerWaalsContact O-CB 3.28Å; S72-F76 WeakPolarHBondContact O-CB 3.42Å; S72-F76 PolarHBondContact O-N 3.36Å; V74-F76 VanDerWaalsContact C-N 3.29Å; V74-F76 PolarHBondContact O-N 3.42Å; F76-Y78 VanDerWaalsContact C-N 3.33Å; F76-Y78 PolarHBondContact O-N 3.23Å; F76-S79 PolarHBondContact O-N 2.64Å; F76-T80 WeakPolarHBondContact O-CB 3.4Å; F76-T80 PolarHBondContact O-N 3.19Å; F76-T80 VanDerWaalsContact O-N 3.14Å; F76-T80 PolarHBondContact O-OG1 3.23Å
77C97.2Very high96.4Very high22 Ų2221.5 Ų21.515%0.14911%0.11CC..Hα-helixtrans-62.6-45.8-179.5-64.60000110.7F73 V74 S79 T80 V81 F111F73-C77 PolarHBondContact O-N 3.11Å; F73-C77 PolarHBondContact O-SG 3.34Å; V74-C77 PolarHBondContact O-N 3.24Å; V74-C77 VanDerWaalsContact O-N 3.13Å; C77-S79 PolarHBondContact O-N 2.91Å; C77-T80 WeakPolarHBondContact O-CB 3.16Å; C77-T80 PolarHBondContact O-N 2.81Å; C77-T80 VanDerWaalsContact O-N 3.12Å; C77-V81 VanDerWaalsContact O-CG2 3.32Å; C77-V81 WeakPolarHBondContact O-CG2 3.48Å; C77-V81 PolarHBondContact O-N 3.29Å; C77-F111 HydrophobicContact CB-CD1 4.28Å; C77-F111 HydrophobicContact CB-CD2 4.07Å; C77-F111 HydrophobicContact CB-CE1 3.66Å; C77-F111 HydrophobicContact CB-CE2 3.45Å; C77-F111 VanDerWaalsContact CB-CE2 3.45Å; C77-F111 HydrophobicContact CB-CG 4.49Å; C77-F111 HydrophobicContact CB-CZ 3.22Å
78Y90.4Very high96.3Very high0 Ų023.9 Ų23.90%013%0.125CC..Hα-helixtrans-55.1-52.3177.6-168.1-77000111.9V74 F76 T80 V81 I82 F108 F111 V112 T282 P286V74-Y78 WeakPolarHBondContact O-CB 3.22Å; V74-Y78 PolarHBondContact O-N 3.08Å; F76-Y78 VanDerWaalsContact C-N 3.33Å; F76-Y78 PolarHBondContact O-N 3.23Å; Y78-T80 PolarHBondContact O-N 3.36Å; Y78-V81 PolarHBondContact O-N 3.04Å; Y78-V81 VanDerWaalsContact O-N 3.16Å; Y78-I82 HydrophobicContact CD1-CD1 3.91Å; Y78-I82 HydrophobicContact CE1-CD1 3.21Å; Y78-I82 HydrophobicContact CE1-CG1 4.45Å; Y78-I82 HydrophobicContact CE2-CD1 4.32Å; Y78-I82 VanDerWaalsContact CZ-CD1 3.45Å; Y78-I82 PolarHBondContact O-N 3.37Å; Y78-F108 HydrophobicContact CE2-CD2 4.1Å; Y78-F108 AromaticContact CZ-CD2 3.84Å; Y78-F108 WeakPolarHBondContact OH-CD2 3.48Å; Y78-F108 WeakPolarHBondContact OH-CE2 3.37Å; Y78-F111 HydrophobicContact CD2-CB 3.43Å; Y78-F111 VanDerWaalsContact CD2-CB 3.43Å; Y78-F111 HydrophobicContact CE2-CB 4.25Å; Y78-F111 HydrophobicContact CG-CB 4.29Å; Y78-V112 HydrophobicContact CE2-CB 3.93Å; Y78-T282 WeakPolarHBondContact CD1-O 3.43Å; Y78-T282 HydrophobicContact CE1-CG2 4.09Å; Y78-T282 WeakPolarHBondContact CE1-O 3.23Å; Y78-T282 WeakPolarHBondContact OH-CB 3.36Å; Y78-T282 WeakPolarHBondContact OH-CG2 3.23Å; Y78-P286 HydrophobicContact CD1-CG 4.38Å
79S95.4Very high96.2Very high0 Ų024.1 Ų24.10%013%0.127CC..Hα-helixtrans-58.3-37.3177.5-62.90000112D75 F76 C77 T83 P84 P286D75-S79 VanDerWaalsContact O-CB 3.25Å; D75-S79 WeakPolarHBondContact O-CB 3.49Å; D75-S79 PolarHBondContact O-N 3.42Å; D75-S79 PolarHBondContact O-OG 3.46Å; F76-S79 PolarHBondContact O-N 2.64Å; C77-S79 PolarHBondContact O-N 2.91Å; S79-T83 WeakPolarHBondContact O-CB 3.33Å; S79-T83 PolarHBondContact O-N 3.39Å; S79-T83 PolarHBondContact O-OG1 3.16Å; S79-P84 WeakPolarHBondContact O-CD 3.44Å; S79-P286 WeakPolarHBondContact OG-CB 3.21Å
80T96.4Very high96.2Very high54 Ų5421.1 Ų21.133%0.33111%0.114SC..Hα-helixtrans-74.2-28.1-178.6-54.80000112.9F76 C77 Y78 P84F76-T80 WeakPolarHBondContact O-CB 3.4Å; F76-T80 PolarHBondContact O-N 3.19Å; F76-T80 VanDerWaalsContact O-N 3.14Å; F76-T80 PolarHBondContact O-OG1 3.23Å; C77-T80 WeakPolarHBondContact O-CB 3.16Å; C77-T80 PolarHBondContact O-N 2.81Å; C77-T80 VanDerWaalsContact O-N 3.12Å; Y78-T80 PolarHBondContact O-N 3.36Å; T80-P84 VanDerWaalsContact O-CD 3.22Å; T80-P84 WeakPolarHBondContact O-CD 3.44Å; T80-P84 WeakPolarHBondContact O-CG 3.44Å
81V95.9Very high96Very high34 Ų3425.4 Ų25.421%0.20614%0.14CC..Hα-helixtrans-73.6-37.7178.2168.10000112.1C77 Y78 Q104 F107 F111C77-V81 VanDerWaalsContact O-CG2 3.32Å; C77-V81 WeakPolarHBondContact O-CG2 3.48Å; C77-V81 PolarHBondContact O-N 3.29Å; Y78-V81 PolarHBondContact O-N 3.04Å; Y78-V81 VanDerWaalsContact O-N 3.16Å; V81-Q104 HydrophobicContact CG1-CB 4.5Å; V81-Q104 HydrophobicContact CG1-CG 3.83Å; V81-Q104 PolarHBondContact O-NE2 2.97Å; V81-Q104 VanDerWaalsContact O-NE2 3.11Å; V81-F107 HydrophobicContact CG1-CB 4.06Å; V81-F107 HydrophobicContact CG2-CB 3.8Å; V81-F107 HydrophobicContact CG2-CG 4.41Å; V81-F111 HydrophobicContact CG2-CE2 4.29Å
82I93.8Very high95.8Very high1 Ų132.2 Ų32.21%0.00517%0.169CC..Hα-helixtrans-102.4-52.2-169.1-58.2173.4000111.8Y78 K85 M86 F108 Y181 M182Y78-I82 HydrophobicContact CD1-CD1 3.91Å; Y78-I82 HydrophobicContact CE1-CD1 3.21Å; Y78-I82 HydrophobicContact CE1-CG1 4.45Å; Y78-I82 HydrophobicContact CE2-CD1 4.32Å; Y78-I82 VanDerWaalsContact CZ-CD1 3.45Å; Y78-I82 PolarHBondContact O-N 3.37Å; I82-K85 PolarHBondContact O-N 3.49Å; I82-M86 PolarHBondContact O-N 2.9Å; I82-F108 HydrophobicContact CD1-CD2 3.7Å; I82-F108 HydrophobicContact CD1-CE2 4.34Å; I82-Y181 HydrophobicContact CG2-CD2 4.06Å; I82-Y181 HydrophobicContact CG2-CE2 3.69Å; I82-M182 HydrophobicContact CD1-SD 3.96Å; I82-M182 HydrophobicContact CG1-SD 4.24Å; I82-M182 HydrophobicContact CG2-CB 4.33Å; I82-M182 HydrophobicContact CG2-SD 3.94Å
83T96Very high95.6Very high1 Ų138.1 Ų38.11%0.00620%0.197CC..Hα-helixtrans-64-42.1-165.4-45.70000113.4Y40 S79 K85 M86 L87Y40-T83 HydrophobicContact CD2-CG2 3.83Å; Y40-T83 HydrophobicContact CG-CG2 3.95Å; S79-T83 WeakPolarHBondContact O-CB 3.33Å; S79-T83 PolarHBondContact O-N 3.39Å; S79-T83 PolarHBondContact O-OG1 3.16Å; T83-K85 VanDerWaalsContact C-N 3.35Å; T83-K85 PolarHBondContact O-N 2.97Å; T83-M86 HydrophobicContact CG2-CE 3.86Å; T83-M86 WeakPolarHBondContact O-CB 3.34Å; T83-M86 PolarHBondContact O-N 3.48Å; T83-L87 HydrophobicContact CG2-CD1 4.24Å; T83-L87 HydrophobicContact CG2-CG 4.29Å; T83-L87 WeakPolarHBondContact O-CG 3.44Å; T83-L87 PolarHBondContact O-N 3.01Å
84P95.9Very high95.5Very high47 Ų4734.4 Ų34.431%0.30518%0.18SC..Hα-helixtrans-60-42177.4-26.737.1000113.2Y40 S79 T80 L87 V88Y40-P84 HydrophobicContact CE2-CG 4.22Å; S79-P84 WeakPolarHBondContact O-CD 3.44Å; T80-P84 VanDerWaalsContact O-CD 3.22Å; T80-P84 WeakPolarHBondContact O-CD 3.44Å; T80-P84 WeakPolarHBondContact O-CG 3.44Å; P84-L87 PolarHBondContact O-N 3.38Å; P84-V88 WeakPolarHBondContact O-CG2 3.4Å; P84-V88 PolarHBondContact O-N 2.93Å; P84-V88 VanDerWaalsContact O-N 3.17Å
85K94.8Very high95.4Very high55 Ų5538 Ų3824%0.23920%0.199CC..Hα-helixtrans-67.4-39.8176.5-78.8-72.2-169.6169.50110.8I82 T83 L87 V88 N94 E100I82-K85 PolarHBondContact O-N 3.49Å; T83-K85 VanDerWaalsContact C-N 3.35Å; T83-K85 PolarHBondContact O-N 2.97Å; K85-L87 VanDerWaalsContact C-N 3.34Å; K85-L87 PolarHBondContact O-N 3.47Å; K85-V88 PolarHBondContact O-N 3.3Å; K85-N94 PolarHBondContact O-ND2 2.96Å; K85-E100 IonicContact NZ-OE2 3Å; K85-E100 PolarHBondContact NZ-OE2 3.44Å
86M95.7Very high95.5Very high0 Ų038.1 Ų38.10%020%0.2CC..Hα-helixtrans-59.6-44172.3178.7-176.862.800111.8F36 I82 T83 V88 S89 F90 Y181 I283F36-M86 HydrophobicContact CB-CE 3.74Å; F36-M86 HydrophobicContact CD1-CE 3.37Å; F36-M86 HydrophobicContact CD1-SD 4.27Å; F36-M86 HydrophobicContact CD2-CE 4.18Å; F36-M86 HydrophobicContact CE1-CE 3.94Å; F36-M86 HydrophobicContact CE1-SD 4.31Å; F36-M86 HydrophobicContact CG-CE 3.49Å; F36-M86 VanDerWaalsContact CG-CE 3.49Å; F36-M86 HydrophobicContact CG-SD 4.37Å; F36-M86 HydrophobicContact CZ-SD 4.49Å; I82-M86 PolarHBondContact O-N 2.9Å; T83-M86 HydrophobicContact CG2-CE 3.86Å; T83-M86 WeakPolarHBondContact O-CB 3.34Å; T83-M86 PolarHBondContact O-N 3.48Å; M86-V88 VanDerWaalsContact C-N 3.28Å; M86-V88 PolarHBondContact O-N 2.85Å; M86-S89 WeakPolarHBondContact O-CB 3.26Å; M86-S89 PolarHBondContact O-N 3.24Å; M86-S89 PolarHBondContact O-OG 2.9Å; M86-F90 HydrophobicContact CG-CE2 4.04Å; M86-F90 HydrophobicContact CG-CZ 4.24Å; M86-Y181 HydrophobicContact CB-CD2 4.02Å; M86-Y181 HydrophobicContact CB-CG 4.38Å; M86-Y181 HydrophobicContact CG-CD2 4.09Å; M86-Y181 HydrophobicContact CG-CG 4.06Å; M86-Y181 HydrophobicContact SD-CD2 4.03Å; M86-Y181 HydrophobicContact SD-CE2 4.31Å; M86-Y181 HydrophobicContact SD-CG 4.14Å; M86-I283 HydrophobicContact CE-CD1 3.61Å; M86-I283 HydrophobicContact SD-CD1 3.76Å
87L97.3Very high95.4Very high14 Ų1437.3 Ų37.37%0.07320%0.201CC..Hα-helixtrans-60.8-36.5179.8-72.7172.6000112.8F33 F36 L37 T83 P84 K85 S89 F90F33-L87 HydrophobicContact CD2-CB 4.25Å; F33-L87 HydrophobicContact CD2-CD2 3.95Å; F33-L87 WeakPolarHBondContact CD2-O 3.27Å; F33-L87 HydrophobicContact CE2-CB 4.07Å; F33-L87 HydrophobicContact CE2-CD2 4.23Å; F33-L87 WeakPolarHBondContact O-CD2 3.23Å; F36-L87 HydrophobicContact CB-CD2 3.73Å; L37-L87 HydrophobicContact CB-CD1 4.45Å; L37-L87 HydrophobicContact CB-CD2 4.22Å; L37-L87 HydrophobicContact CD1-CD1 4.05Å; T83-L87 HydrophobicContact CG2-CD1 4.24Å; T83-L87 HydrophobicContact CG2-CG 4.29Å; T83-L87 WeakPolarHBondContact O-CG 3.44Å; T83-L87 PolarHBondContact O-N 3.01Å; P84-L87 PolarHBondContact O-N 3.38Å; K85-L87 VanDerWaalsContact C-N 3.34Å; K85-L87 PolarHBondContact O-N 3.47Å; L87-S89 PolarHBondContact O-N 2.95Å; L87-F90 HydrophobicContact CD2-CD2 4.32Å; L87-F90 HydrophobicContact CD2-CE2 4.47Å; L87-F90 PolarHBondContact O-N 3.38Å
88V96.4Very high95.3Very high50 Ų5038.5 Ų38.530%0.30320%0.204SC..Hα-helixtrans-60.1-36.2175.6171.80000111.6P84 K85 M86 F90 V91 K92 N94P84-V88 WeakPolarHBondContact O-CG2 3.4Å; P84-V88 PolarHBondContact O-N 2.93Å; P84-V88 VanDerWaalsContact O-N 3.17Å; K85-V88 PolarHBondContact O-N 3.3Å; M86-V88 VanDerWaalsContact C-N 3.28Å; M86-V88 PolarHBondContact O-N 2.85Å; V88-F90 PolarHBondContact O-N 3.17Å; V88-V91 PolarHBondContact O-N 3.46Å; V88-K92 HydrophobicContact CG1-CD 4.4Å; V88-K92 HydrophobicContact CG1-CG 3.87Å; V88-K92 PolarHBondContact O-N 3.36Å; V88-K92 VanDerWaalsContact O-O 3.04Å; V88-N94 HydrophobicContact CG1-CB 4.38Å
89S94.4Very high95.6Very high9 Ų941.5 Ų41.56%0.06323%0.228CC..Hα-helixtrans-63.3-21.6-179.375.80000114.4G21 M86 L87G21-S89 WeakPolarHBondContact CA-OG 3.43Å; M86-S89 WeakPolarHBondContact O-CB 3.26Å; M86-S89 PolarHBondContact O-N 3.24Å; M86-S89 PolarHBondContact O-OG 2.9Å; L87-S89 PolarHBondContact O-N 2.95Å
90F95.8Very high95.7Very high7 Ų746 Ų463%0.03125%0.25CC..THydrogen-bonded Turntrans-82.8-13.8175.7-59.9-55000113.7L22 T23 Q29 L32 F33 F36 M86 L87 V88L22-F90 HydrophobicContact CB-CE1 3.94Å; L22-F90 HydrophobicContact CB-CZ 4Å; L22-F90 HydrophobicContact CD2-CZ 4.22Å; T23-F90 HydrophobicContact CG2-CE1 4.4Å; Q29-F90 HydrophobicContact CB-CB 4.37Å; Q29-F90 WeakPolarHBondContact CB-O 3.37Å; Q29-F90 HydrophobicContact CG-CD1 4.47Å; Q29-F90 WeakPolarHBondContact O-CB 3.3Å; L32-F90 HydrophobicContact CB-CD1 4.11Å; L32-F90 HydrophobicContact CB-CE1 3.7Å; L32-F90 HydrophobicContact CB-CE2 4.32Å; L32-F90 HydrophobicContact CB-CZ 3.83Å; L32-F90 HydrophobicContact CD1-CE1 3.94Å; L32-F90 HydrophobicContact CG-CE1 4.49Å; F33-F90 HydrophobicContact CB-CB 3.84Å; F33-F90 HydrophobicContact CB-CD2 4.12Å; F33-F90 HydrophobicContact CB-CG 4.25Å; F33-F90 HydrophobicContact CD2-CB 4.25Å; F33-F90 HydrophobicContact CD2-CD2 4.45Å; F36-F90 HydrophobicContact CB-CE2 4.38Å; F36-F90 AromaticContact CD2-CE2 3.77Å; F36-F90 HydrophobicContact CD2-CE2 3.77Å; F36-F90 AromaticContact CD2-CZ 3.78Å; F36-F90 HydrophobicContact CD2-CZ 3.78Å; F36-F90 HydrophobicContact CE2-CZ 4.11Å; F36-F90 HydrophobicContact CG-CE2 4.39Å; M86-F90 HydrophobicContact CG-CE2 4.04Å; M86-F90 HydrophobicContact CG-CZ 4.24Å; L87-F90 HydrophobicContact CD2-CD2 4.32Å; L87-F90 HydrophobicContact CD2-CE2 4.47Å; L87-F90 PolarHBondContact O-N 3.38Å; V88-F90 PolarHBondContact O-N 3.17Å
91V94.7Very high95.7Very high100 Ų10043.4 Ų43.461%0.60623%0.234SC*.THydrogen-bonded Turntrans-111.8-33.9-173.1-177.30000111.6F33 V88F33-V91 HydrophobicContact CD2-CG2 3.67Å; F33-V91 HydrophobicContact CE2-CG2 3.75Å; F33-V91 HydrophobicContact CG-CG2 4.33Å; F33-V91 HydrophobicContact CZ-CG2 4.47Å; V88-V91 PolarHBondContact O-N 3.46Å
92K94.2Very high95.8Very high146 Ų14642.6 Ų42.664%0.63523%0.228SC*.SBendtrans-156.5171.2-177.761.7176.8-177.1175.80110.7V88 N94V88-K92 HydrophobicContact CG1-CD 4.4Å; V88-K92 HydrophobicContact CG1-CG 3.87Å; V88-K92 PolarHBondContact O-N 3.36Å; V88-K92 VanDerWaalsContact O-O 3.04Å; K92-N94 PolarHBondContact O-N 3.38Å
93Q93.6Very high95.9Very high126 Ų12646 Ų4659%0.58925%0.249SC*.  trans-56126.5170.9-168.6174.24500110.6I18 I95I18-Q93 HydrophobicContact CG2-CG 3.81Å; Q93-I95 HydrophobicContact CG-CG1 4.15Å; Q93-I95 PolarHBondContact O-N 2.83Å
94N95.7Very high96Very high3 Ų346.6 Ų46.62%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-97.285.9-172.9-168.913.3000110.5L19 K85 V88 K92L19-N94 HydrophobicContact CB-CB 4.12Å; L19-N94 WeakPolarHBondContact CD1-ND2 3.4Å; L19-N94 PolarHBondContact N-O 3.41Å; K85-N94 PolarHBondContact O-ND2 2.96Å; V88-N94 HydrophobicContact CG1-CB 4.38Å; K92-N94 PolarHBondContact O-N 3.38Å
95I96.6Very high96.1Very high77 Ų7744.4 Ų44.440%0.39524%0.237SC..EExtended strand (participates in β ladder)trans-85.9133.4178.4-54.3174.5000109.1E16 F17 I18 Q93E16-I95 HydrophobicContact CB-CG2 4.01Å; E16-I95 HydrophobicContact CG-CG2 4.39Å; F17-I95 WeakPolarHBondContact O-CA 3.29Å; I18-I95 HydrophobicContact CG1-CG1 4.42Å; Q93-I95 HydrophobicContact CG-CG1 4.15Å; Q93-I95 PolarHBondContact O-N 2.83Å
96I97Very high96.3Very high1 Ų143.6 Ų43.61%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-133131.4177.3-170.2167.4000109.1E16 F17 L19 E100 C101E16-I96 CarbonylContact C-O 3.59Å; E16-I96 WeakPolarHBondContact CA-O 3.22Å; F17-I96 HydrophobicContact CB-CG2 3.85Å; F17-I96 PolarHBondContact N-O 3.1Å; F17-I96 PolarHBondContact O-N 3.18Å; L19-I96 HydrophobicContact CD1-CB 4.47Å; L19-I96 HydrophobicContact CD1-CD1 4.44Å; L19-I96 HydrophobicContact CD1-CG2 4.11Å; L19-I96 HydrophobicContact CD2-CG2 4.29Å; L19-I96 HydrophobicContact CG-CG2 3.89Å; I96-E100 HydrophobicContact CD1-CB 3.99Å; I96-E100 HydrophobicContact CG1-CB 3.44Å; I96-E100 VanDerWaalsContact CG1-CB 3.44Å; I96-C101 HydrophobicContact CD1-CB 4.2Å; I96-C101 HydrophobicContact CG1-CB 4.25Å; I96-C101 HydrophobicContact CG2-CB 4.33Å
97S96.8Very high96.4Very high37 Ų3747.3 Ų47.326%0.25925%0.25SS..EExtended strand (participates in β ladder)trans-68.6157.6175.673.20000110.7K15 A99 E100 C101K15-S97 CarbonylContact O-C 3.58Å; K15-S97 WeakPolarHBondContact O-CA 3.28Å; S97-A99 PolarHBondContact O-N 2.91Å; S97-E100 PolarHBondContact O-N 3.24Å; S97-E100 WeakPolarHBondContact OG-CB 3.44Å; S97-E100 WeakPolarHBondContact OG-CG 3.48Å; S97-E100 PolarHBondContact OG-N 3.36Å; S97-E100 VanDerWaalsContact OG-N 3.13Å; S97-C101 VanDerWaalsContact O-CB 3.31Å; S97-C101 WeakPolarHBondContact O-CB 3.26Å; S97-C101 PolarHBondContact O-N 2.88Å
98H95Very high96.3Very high47 Ų4746.9 Ų46.922%0.21825%0.248CC..Hα-helixtrans-53.4-43.4174.2176.5-85.6000111.7K15 F17 C101 M102 F172K15-H98 PolarHBondContact O-N 3.18Å; F17-H98 HydrophobicContact CE2-CB 4.16Å; F17-H98 AromaticContact CE2-CD2 3.81Å; H98-C101 WeakPolarHBondContact O-CB 3.28Å; H98-C101 PolarHBondContact O-N 3.43Å; H98-M102 WeakPolarHBondContact O-CG 3.28Å; H98-M102 PolarHBondContact O-N 3.47Å; H98-F172 AromaticContact CD2-CE2 3.91Å; H98-F172 AromaticContact NE2-CE2 3.6Å
99A96Very high96.3Very high62 Ų6244.7 Ų44.751%0.51223%0.234SC..Hα-helixtrans-65.8-42.2178.700000112.9S97 C101 T103S97-A99 PolarHBondContact O-N 2.91Å; A99-C101 VanDerWaalsContact C-N 3.3Å; A99-C101 PolarHBondContact O-N 2.85Å; A99-T103 WeakPolarHBondContact O-CB 3.37Å; A99-T103 PolarHBondContact O-N 2.9Å; A99-T103 PolarHBondContact O-OG1 2.87Å
100E96.8Very high96.4Very high95 Ų9545.6 Ų45.644%0.44424%0.237SC..Hα-helixtrans-63-39.9174-75.4-178-178.500111.2K85 I96 S97 T103 Q104K85-E100 IonicContact NZ-OE2 3Å; K85-E100 PolarHBondContact NZ-OE2 3.44Å; I96-E100 HydrophobicContact CD1-CB 3.99Å; I96-E100 HydrophobicContact CG1-CB 3.44Å; I96-E100 VanDerWaalsContact CG1-CB 3.44Å; S97-E100 PolarHBondContact O-N 3.24Å; S97-E100 WeakPolarHBondContact OG-CB 3.44Å; S97-E100 WeakPolarHBondContact OG-CG 3.48Å; S97-E100 PolarHBondContact OG-N 3.36Å; S97-E100 VanDerWaalsContact OG-N 3.13Å; E100-T103 PolarHBondContact O-N 3.22Å; E100-Q104 WeakPolarHBondContact O-CB 3.34Å; E100-Q104 PolarHBondContact O-N 2.98Å
101C97.4Very high96.5Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-63.8-47.3179.4-172.40000112F17 I96 S97 H98 A99 T103 Q104 L105 C183F17-C101 HydrophobicContact CD2-CB 3.99Å; F17-C101 HydrophobicContact CE2-CB 4.27Å; I96-C101 HydrophobicContact CD1-CB 4.2Å; I96-C101 HydrophobicContact CG1-CB 4.25Å; I96-C101 HydrophobicContact CG2-CB 4.33Å; S97-C101 VanDerWaalsContact O-CB 3.31Å; S97-C101 WeakPolarHBondContact O-CB 3.26Å; S97-C101 PolarHBondContact O-N 2.88Å; H98-C101 WeakPolarHBondContact O-CB 3.28Å; H98-C101 PolarHBondContact O-N 3.43Å; A99-C101 VanDerWaalsContact C-N 3.3Å; A99-C101 PolarHBondContact O-N 2.85Å; C101-T103 VanDerWaalsContact C-N 3.3Å; C101-T103 PolarHBondContact O-N 2.91Å; C101-Q104 PolarHBondContact O-N 3.11Å; C101-L105 WeakPolarHBondContact O-CB 3.49Å; C101-L105 PolarHBondContact O-N 2.86Å; C101-C183 WeakPolarHBondContact CA-SG 3.22Å; C101-C183 HydrophobicContact CB-CB 4.12Å; C101-C183 WeakPolarHBondContact CB-SG 3.43Å; C101-C183 WeakPolarHBondContact SG-CB 3.47Å; C101-C183 CovalentContact SG-SG 2.02Å; C101-C183 PolarHBondContact SG-SG 3.41Å
102M97.4Very high96.5Very high16 Ų1642.4 Ų42.48%0.07922%0.217CC..Hα-helixtrans-65.1-35.1175.6-64.3-56.1138.500112.1H98 L105 F106 M167 V168 F172 L188H98-M102 WeakPolarHBondContact O-CG 3.28Å; H98-M102 PolarHBondContact O-N 3.47Å; M102-L105 HydrophobicContact SD-CD2 4.48Å; M102-F106 WeakPolarHBondContact O-CB 3.35Å; M102-F106 PolarHBondContact O-N 3.25Å; M102-M167 HydrophobicContact CE-CG 3.7Å; M102-M167 HydrophobicContact SD-CB 4.05Å; M102-M167 HydrophobicContact SD-CG 3.6Å; M102-M167 VanDerWaalsContact SD-CG 3.6Å; M102-V168 HydrophobicContact CB-CG2 4.49Å; M102-V168 HydrophobicContact CG-CG2 3.97Å; M102-V168 HydrophobicContact SD-CG2 4.14Å; M102-F172 HydrophobicContact CE-CE2 3.91Å; M102-F172 HydrophobicContact CE-CZ 3.95Å; M102-L188 HydrophobicContact CE-CD1 4.33Å
103T97.5Very high96.6Very high74 Ų7435.9 Ų35.945%0.45419%0.189SC..Hα-helixtrans-67.1-44174.8-56.60000111.2A99 E100 C101 F106 F107A99-T103 WeakPolarHBondContact O-CB 3.37Å; A99-T103 PolarHBondContact O-N 2.9Å; A99-T103 PolarHBondContact O-OG1 2.87Å; E100-T103 PolarHBondContact O-N 3.22Å; C101-T103 VanDerWaalsContact C-N 3.3Å; C101-T103 PolarHBondContact O-N 2.91Å; T103-F106 PolarHBondContact O-N 2.95Å; T103-F107 HydrophobicContact CG2-CD2 3.82Å; T103-F107 HydrophobicContact CG2-CE2 3.7Å; T103-F107 VanDerWaalsContact O-CD2 3.28Å; T103-F107 WeakPolarHBondContact O-CD2 3.44Å; T103-F107 PolarHBondContact O-N 3.46Å; T103-F107 VanDerWaalsContact O-N 3.12Å
104Q97.9Very high96.8Very high13 Ų1329.9 Ų29.96%0.06116%0.161CC..Hα-helixtrans-60.4-47.1175.1-179178.475.800110.9V81 E100 C101 F106 F107 F108V81-Q104 HydrophobicContact CG1-CB 4.5Å; V81-Q104 HydrophobicContact CG1-CG 3.83Å; V81-Q104 PolarHBondContact O-NE2 2.97Å; V81-Q104 VanDerWaalsContact O-NE2 3.11Å; E100-Q104 WeakPolarHBondContact O-CB 3.34Å; E100-Q104 PolarHBondContact O-N 2.98Å; C101-Q104 PolarHBondContact O-N 3.11Å; Q104-F106 VanDerWaalsContact C-N 3.34Å; Q104-F106 PolarHBondContact O-N 3.32Å; Q104-F107 PolarHBondContact O-N 2.88Å; Q104-F108 VanDerWaalsContact O-CB 3.24Å; Q104-F108 WeakPolarHBondContact O-CB 3.37Å; Q104-F108 PolarHBondContact O-N 2.94Å
105L97.2Very high96.8Very high0 Ų029.8 Ų29.80%016%0.161CC..Hα-helixtrans-58.8-45177.5176.463000111.5C101 M102 F108 C109 T164 M167 C183 I185 L188C101-L105 WeakPolarHBondContact O-CB 3.49Å; C101-L105 PolarHBondContact O-N 2.86Å; M102-L105 HydrophobicContact SD-CD2 4.48Å; L105-F108 HydrophobicContact CD1-CD1 4.28Å; L105-F108 PolarHBondContact O-N 3Å; L105-C109 PolarHBondContact O-N 3.44Å; L105-C109 PolarHBondContact O-SG 3.21Å; L105-C109 VanDerWaalsContact O-SG 3.4Å; L105-T164 HydrophobicContact CB-CG2 4.24Å; L105-T164 HydrophobicContact CD2-CG2 4.02Å; L105-T164 HydrophobicContact CG-CG2 3.84Å; L105-M167 HydrophobicContact CD2-CB 4.16Å; L105-M167 HydrophobicContact CD2-CE 4.14Å; L105-M167 HydrophobicContact CD2-CG 3.96Å; L105-C183 WeakPolarHBondContact CD1-O 3.44Å; L105-I185 HydrophobicContact CD1-CD1 4.25Å; L105-I185 HydrophobicContact CD1-CG1 3.51Å; L105-L188 HydrophobicContact CD2-CD1 4.07Å
106F98.2Very high96.8Very high39 Ų3926.3 Ų26.317%0.17114%0.144CC..Hα-helixtrans-56.5-54.6177.7175-95.6000111.7M102 T103 Q104 F108 C109 F110 F157 A160 I161 T164M102-F106 WeakPolarHBondContact O-CB 3.35Å; M102-F106 PolarHBondContact O-N 3.25Å; T103-F106 PolarHBondContact O-N 2.95Å; Q104-F106 VanDerWaalsContact C-N 3.34Å; Q104-F106 PolarHBondContact O-N 3.32Å; F106-F108 VanDerWaalsContact C-N 3.33Å; F106-F108 PolarHBondContact O-N 2.7Å; F106-C109 PolarHBondContact O-N 3.11Å; F106-F110 VanDerWaalsContact O-CB 3.28Å; F106-F110 WeakPolarHBondContact O-CB 3.36Å; F106-F110 PolarHBondContact O-N 3.28Å; F106-F157 HydrophobicContact CE2-CD2 4.41Å; F106-F157 HydrophobicContact CE2-CE2 4.4Å; F106-F157 AromaticContact CZ-CD2 3.75Å; F106-F157 HydrophobicContact CZ-CD2 3.75Å; F106-F157 AromaticContact CZ-CE2 3.77Å; F106-F157 HydrophobicContact CZ-CE2 3.77Å; F106-A160 HydrophobicContact CD2-CB 3.75Å; F106-A160 HydrophobicContact CE2-CB 3.67Å; F106-A160 HydrophobicContact CG-CB 4.49Å; F106-A160 HydrophobicContact CZ-CB 4.35Å; F106-I161 HydrophobicContact CE2-CG1 3.89Å; F106-T164 HydrophobicContact CB-CG2 3.63Å; F106-T164 HydrophobicContact CD2-CG2 4.29Å; F106-T164 HydrophobicContact CG-CG2 4.49Å
107F98.2Very high96.8Very high78 Ų7827.7 Ų27.734%0.34215%0.149SC..Hα-helixtrans-68-34.8-178.2-76.7-66000112.2V81 T103 Q104 F110 F111V81-F107 HydrophobicContact CG1-CB 4.06Å; V81-F107 HydrophobicContact CG2-CB 3.8Å; V81-F107 HydrophobicContact CG2-CG 4.41Å; T103-F107 HydrophobicContact CG2-CD2 3.82Å; T103-F107 HydrophobicContact CG2-CE2 3.7Å; T103-F107 VanDerWaalsContact O-CD2 3.28Å; T103-F107 WeakPolarHBondContact O-CD2 3.44Å; T103-F107 PolarHBondContact O-N 3.46Å; T103-F107 VanDerWaalsContact O-N 3.12Å; Q104-F107 PolarHBondContact O-N 2.88Å; F107-F110 PolarHBondContact O-N 2.89Å; F107-F111 HydrophobicContact CB-CD2 4.11Å; F107-F111 HydrophobicContact CB-CE2 3.95Å; F107-F111 HydrophobicContact CD1-CD2 4.46Å; F107-F111 AromaticContact CD1-CE2 3.66Å; F107-F111 HydrophobicContact CD1-CE2 3.66Å; F107-F111 HydrophobicContact CD1-CZ 4.07Å; F107-F111 HydrophobicContact CG-CE2 4.18Å; F107-F111 WeakPolarHBondContact O-CB 3.48Å; F107-F111 WeakPolarHBondContact O-CD2 3.3Å; F107-F111 WeakPolarHBondContact O-CG 3.34Å; F107-F111 PolarHBondContact O-N 2.82Å
108F95.3Very high96.9Very high5 Ų526 Ų262%0.02214%0.137CC..Hα-helixtrans-57-54.6172164-100.4000111.4Y78 I82 Q104 L105 F106 F110 F111 V112 M182 Y281 T282Y78-F108 HydrophobicContact CE2-CD2 4.1Å; Y78-F108 AromaticContact CZ-CD2 3.84Å; Y78-F108 WeakPolarHBondContact OH-CD2 3.48Å; Y78-F108 WeakPolarHBondContact OH-CE2 3.37Å; I82-F108 HydrophobicContact CD1-CD2 3.7Å; I82-F108 HydrophobicContact CD1-CE2 4.34Å; Q104-F108 VanDerWaalsContact O-CB 3.24Å; Q104-F108 WeakPolarHBondContact O-CB 3.37Å; Q104-F108 PolarHBondContact O-N 2.94Å; L105-F108 HydrophobicContact CD1-CD1 4.28Å; L105-F108 PolarHBondContact O-N 3Å; F106-F108 VanDerWaalsContact C-N 3.33Å; F106-F108 PolarHBondContact O-N 2.7Å; F108-F110 PolarHBondContact O-N 3.34Å; F108-F111 PolarHBondContact O-N 3.45Å; F108-V112 WeakPolarHBondContact O-CB 3.27Å; F108-V112 WeakPolarHBondContact O-CG1 3.41Å; F108-V112 PolarHBondContact O-N 2.99Å; F108-M182 HydrophobicContact CD2-CE 3.97Å; F108-M182 HydrophobicContact CD2-SD 4.07Å; F108-M182 HydrophobicContact CE1-CE 4.29Å; F108-M182 HydrophobicContact CE2-CE 3.42Å; F108-M182 VanDerWaalsContact CE2-CE 3.42Å; F108-M182 HydrophobicContact CE2-SD 4.06Å; F108-M182 HydrophobicContact CZ-CE 3.62Å; F108-Y281 HydrophobicContact CE2-CE2 4.38Å; F108-Y281 HydrophobicContact CZ-CE2 4.42Å; F108-T282 HydrophobicContact CE2-CG2 4.03Å
109C95.7Very high97Very high3 Ų323.8 Ų23.82%0.0213%0.127CC..Hα-helixtrans-59.7-48178.1-70.30000111.1L105 F106 F111 V112 I113 A160L105-C109 PolarHBondContact O-N 3.44Å; L105-C109 PolarHBondContact O-SG 3.21Å; L105-C109 VanDerWaalsContact O-SG 3.4Å; F106-C109 PolarHBondContact O-N 3.11Å; C109-F111 PolarHBondContact O-N 2.86Å; C109-V112 WeakPolarHBondContact O-CG1 3.15Å; C109-V112 PolarHBondContact O-N 3.06Å; C109-I113 WeakPolarHBondContact O-CB 3.26Å; C109-I113 VanDerWaalsContact O-CD1 3.25Å; C109-I113 WeakPolarHBondContact O-CD1 3.19Å; C109-I113 VanDerWaalsContact O-CG1 3.28Å; C109-I113 WeakPolarHBondContact O-CG1 3.28Å; C109-I113 PolarHBondContact O-N 3.17Å; C109-I113 VanDerWaalsContact O-N 3.15Å; C109-A160 HydrophobicContact CB-CB 3.89Å
110F98Very high97.1Very high29 Ų2921.4 Ų21.413%0.12711%0.106CC..Hα-helixtrans-54.8-51.7-179176.7-110.2000111.9F106 F107 F108 N114 Y153 F157 A160F106-F110 VanDerWaalsContact O-CB 3.28Å; F106-F110 WeakPolarHBondContact O-CB 3.36Å; F106-F110 PolarHBondContact O-N 3.28Å; F107-F110 PolarHBondContact O-N 2.89Å; F108-F110 PolarHBondContact O-N 3.34Å; F110-N114 WeakPolarHBondContact CE1-OD1 3.06Å; F110-N114 WeakPolarHBondContact CZ-OD1 3.22Å; F110-N114 PolarHBondContact O-N 3.48Å; F110-N114 VanDerWaalsContact O-N 3.09Å; F110-N114 PolarHBondContact O-ND2 3.28Å; F110-N114 PolarHBondContact O-OD1 3.21Å; F110-Y153 HydrophobicContact CE1-CD1 4.29Å; F110-Y153 HydrophobicContact CE2-CD1 4.36Å; F110-Y153 WeakPolarHBondContact CE2-O 3.2Å; F110-Y153 AromaticContact CZ-CD1 3.63Å; F110-Y153 HydrophobicContact CZ-CD1 3.63Å; F110-Y153 HydrophobicContact CZ-CE1 4.32Å; F110-F157 HydrophobicContact CD2-CB 4.21Å; F110-F157 HydrophobicContact CE2-CB 3.97Å; F110-A160 HydrophobicContact CB-CB 3.93Å
111F97.2Very high97.1Very high12 Ų1217.2 Ų17.25%0.0539%0.087CC..Hα-helixtrans-77.2-34.6-174.6-68.4-53.4000113.1V74 C77 Y78 V81 F107 F108 C109 I113 N114 E115V74-F111 HydrophobicContact CB-CD1 4.48Å; V74-F111 HydrophobicContact CG1-CB 3.96Å; V74-F111 HydrophobicContact CG1-CD1 4.18Å; V74-F111 HydrophobicContact CG1-CG 4.47Å; V74-F111 VanDerWaalsContact CG1-O 3.3Å; V74-F111 WeakPolarHBondContact CG1-O 3.08Å; V74-F111 HydrophobicContact CG2-CD1 4.27Å; C77-F111 HydrophobicContact CB-CD1 4.28Å; C77-F111 HydrophobicContact CB-CD2 4.07Å; C77-F111 HydrophobicContact CB-CE1 3.66Å; C77-F111 HydrophobicContact CB-CE2 3.45Å; C77-F111 VanDerWaalsContact CB-CE2 3.45Å; C77-F111 HydrophobicContact CB-CG 4.49Å; C77-F111 HydrophobicContact CB-CZ 3.22Å; Y78-F111 HydrophobicContact CD2-CB 3.43Å; Y78-F111 VanDerWaalsContact CD2-CB 3.43Å; Y78-F111 HydrophobicContact CE2-CB 4.25Å; Y78-F111 HydrophobicContact CG-CB 4.29Å; V81-F111 HydrophobicContact CG2-CE2 4.29Å; F107-F111 HydrophobicContact CB-CD2 4.11Å; F107-F111 HydrophobicContact CB-CE2 3.95Å; F107-F111 HydrophobicContact CD1-CD2 4.46Å; F107-F111 AromaticContact CD1-CE2 3.66Å; F107-F111 HydrophobicContact CD1-CE2 3.66Å; F107-F111 HydrophobicContact CD1-CZ 4.07Å; F107-F111 HydrophobicContact CG-CE2 4.18Å; F107-F111 WeakPolarHBondContact O-CB 3.48Å; F107-F111 WeakPolarHBondContact O-CD2 3.3Å; F107-F111 WeakPolarHBondContact O-CG 3.34Å; F107-F111 PolarHBondContact O-N 2.82Å; F108-F111 PolarHBondContact O-N 3.45Å; C109-F111 PolarHBondContact O-N 2.86Å; F111-I113 VanDerWaalsContact C-N 3.31Å; F111-I113 PolarHBondContact O-N 2.81Å; F111-N114 PolarHBondContact O-N 3.27Å; F111-E115 PolarHBondContact O-N 2.95Å
112V94.4Very high97.1Very high27 Ų2717.2 Ų17.216%0.1649%0.087CC..Hα-helixtrans-64.1-38.7176.172.60000111.3Y78 F108 C109 C116 F255 Y281Y78-V112 HydrophobicContact CE2-CB 3.93Å; F108-V112 WeakPolarHBondContact O-CB 3.27Å; F108-V112 WeakPolarHBondContact O-CG1 3.41Å; F108-V112 PolarHBondContact O-N 2.99Å; C109-V112 WeakPolarHBondContact O-CG1 3.15Å; C109-V112 PolarHBondContact O-N 3.06Å; V112-C116 WeakPolarHBondContact O-CB 3.35Å; V112-C116 PolarHBondContact O-N 3.49Å; V112-C116 VanDerWaalsContact O-N 3.12Å; V112-F255 HydrophobicContact CG2-CE2 3.89Å; V112-F255 HydrophobicContact CG2-CZ 3.83Å; V112-Y281 HydrophobicContact CG2-CD2 4.24Å; V112-Y281 HydrophobicContact CG2-CE2 4.1Å
113I95.8Very high97.2Very high9 Ų916.4 Ų16.45%0.0468%0.083CC..Hα-helixtrans-67.7-41.4175.6-68160.1000110.2C109 F111 C116 Y117 E159 V206C109-I113 WeakPolarHBondContact O-CB 3.26Å; C109-I113 VanDerWaalsContact O-CD1 3.25Å; C109-I113 WeakPolarHBondContact O-CD1 3.19Å; C109-I113 VanDerWaalsContact O-CG1 3.28Å; C109-I113 WeakPolarHBondContact O-CG1 3.28Å; C109-I113 PolarHBondContact O-N 3.17Å; C109-I113 VanDerWaalsContact O-N 3.15Å; F111-I113 VanDerWaalsContact C-N 3.31Å; F111-I113 PolarHBondContact O-N 2.81Å; I113-C116 WeakPolarHBondContact O-CB 3.3Å; I113-C116 PolarHBondContact O-N 3.34Å; I113-Y117 HydrophobicContact CG2-CD2 3.79Å; I113-Y117 HydrophobicContact CG2-CE2 3.8Å; I113-Y117 VanDerWaalsContact O-CD2 3.31Å; I113-Y117 WeakPolarHBondContact O-CD2 3.44Å; I113-Y117 PolarHBondContact O-N 3.48Å; I113-Y117 VanDerWaalsContact O-N 3.14Å; I113-E159 HydrophobicContact CD1-CB 3.45Å; I113-E159 VanDerWaalsContact CD1-CB 3.45Å; I113-E159 HydrophobicContact CD1-CG 4.41Å; I113-E159 WeakPolarHBondContact CD1-OE2 3.48Å; I113-E159 WeakPolarHBondContact CG1-OE2 3.2Å; I113-E159 WeakPolarHBondContact CG2-OE2 3.31Å; I113-V206 HydrophobicContact CD1-CG1 4.38Å
114N98Very high97.2Very high0 Ų017 Ų170%08%0.078CC..Hα-helixtrans-62.5-45.1176.8-66.4172000112.5V74 F110 F111 C116 Y117 I118 V152 Y153V74-N114 HydrophobicContact CG1-CB 4.36Å; V74-N114 HydrophobicContact CG2-CB 3.87Å; F110-N114 WeakPolarHBondContact CE1-OD1 3.06Å; F110-N114 WeakPolarHBondContact CZ-OD1 3.22Å; F110-N114 PolarHBondContact O-N 3.48Å; F110-N114 VanDerWaalsContact O-N 3.09Å; F110-N114 PolarHBondContact O-ND2 3.28Å; F110-N114 PolarHBondContact O-OD1 3.21Å; F111-N114 PolarHBondContact O-N 3.27Å; N114-C116 VanDerWaalsContact C-N 3.32Å; N114-C116 PolarHBondContact O-N 2.87Å; N114-Y117 PolarHBondContact O-N 3.47Å; N114-I118 HydrophobicContact CB-CD1 4.42Å; N114-I118 WeakPolarHBondContact O-CB 3.22Å; N114-I118 WeakPolarHBondContact O-CD1 3.25Å; N114-I118 WeakPolarHBondContact O-CG1 3.49Å; N114-I118 PolarHBondContact O-N 2.85Å; N114-V152 HydrophobicContact CB-CG1 4Å; N114-V152 PolarHBondContact ND2-O 2.98Å; N114-V152 VanDerWaalsContact ND2-O 3.09Å; N114-Y153 WeakPolarHBondContact OD1-CD1 3.43Å; N114-Y153 VanDerWaalsContact OD1-CE1 3.29Å; N114-Y153 WeakPolarHBondContact OD1-CE1 3.48Å
115E96.3Very high97.1Very high1 Ų116.6 Ų16.61%0.0058%0.076CC..Hα-helixtrans-55.6-49.1175.5179.5172.3-171.500110.9L71 V74 F111 Y117 I118 L119 F255L71-E115 HydrophobicContact CD1-CG 3.85Å; V74-E115 HydrophobicContact CG1-CB 4.1Å; F111-E115 PolarHBondContact O-N 2.95Å; E115-Y117 PolarHBondContact O-N 3.34Å; E115-I118 PolarHBondContact O-N 3.27Å; E115-L119 HydrophobicContact CG-CD1 4.03Å; E115-L119 HydrophobicContact CG-CG 4.39Å; E115-L119 WeakPolarHBondContact O-CB 3.5Å; E115-L119 VanDerWaalsContact O-CG 3.32Å; E115-L119 WeakPolarHBondContact O-CG 3.37Å; E115-L119 PolarHBondContact O-N 2.98Å; E115-F255 HydrophobicContact CB-CE2 4.2Å; E115-F255 HydrophobicContact CB-CZ 4.45Å; E115-F255 VanDerWaalsContact CD-CD2 3.46Å; E115-F255 HydrophobicContact CG-CD2 4.03Å; E115-F255 HydrophobicContact CG-CE2 3.84Å; E115-F255 HydrophobicContact CG-CZ 4.34Å; E115-F255 WeakPolarHBondContact OE2-CE2 3.49Å
116C96Very high97Very high5 Ų517.1 Ų17.13%0.0348%0.078CC..Hα-helixtrans-52.8-50.5178.7-173.30000112.8V112 I113 N114 T120 N210 P214 F255 F256V112-C116 WeakPolarHBondContact O-CB 3.35Å; V112-C116 PolarHBondContact O-N 3.49Å; V112-C116 VanDerWaalsContact O-N 3.12Å; I113-C116 WeakPolarHBondContact O-CB 3.3Å; I113-C116 PolarHBondContact O-N 3.34Å; N114-C116 VanDerWaalsContact C-N 3.32Å; N114-C116 PolarHBondContact O-N 2.87Å; C116-T120 PolarHBondContact O-N 3.19Å; C116-T120 VanDerWaalsContact O-N 3.09Å; C116-T120 PolarHBondContact O-OG1 2.99Å; C116-N210 PolarHBondContact SG-O 2.8Å; C116-N210 VanDerWaalsContact SG-O 3.37Å; C116-P214 WeakPolarHBondContact SG-CG 3.45Å; C116-F255 HydrophobicContact CB-CE1 3.78Å; C116-F255 HydrophobicContact CB-CZ 3.96Å; C116-F256 VanDerWaalsContact SG-CE1 3.55Å; C116-F256 WeakPolarHBondContact SG-CZ 3.28Å
117Y97.9Very high97Very high29 Ų2917.4 Ų17.411%0.1148%0.078CC..Hα-helixtrans-79.6-27-179.1-73-71.2000114I113 N114 E115 T120 A121 V152 L155 F209 N210 P214I113-Y117 HydrophobicContact CG2-CD2 3.79Å; I113-Y117 HydrophobicContact CG2-CE2 3.8Å; I113-Y117 VanDerWaalsContact O-CD2 3.31Å; I113-Y117 WeakPolarHBondContact O-CD2 3.44Å; I113-Y117 PolarHBondContact O-N 3.48Å; I113-Y117 VanDerWaalsContact O-N 3.14Å; N114-Y117 PolarHBondContact O-N 3.47Å; E115-Y117 PolarHBondContact O-N 3.34Å; Y117-T120 WeakPolarHBondContact O-CB 3.48Å; Y117-T120 PolarHBondContact O-N 2.98Å; Y117-A121 WeakPolarHBondContact O-CB 3.37Å; Y117-A121 PolarHBondContact O-N 3.45Å; Y117-V152 VanDerWaalsContact CB-CG2 3.47Å; Y117-V152 HydrophobicContact CG-CG2 4.5Å; Y117-L155 HydrophobicContact CD2-CD2 3.77Å; Y117-L155 HydrophobicContact CE1-CD2 4.04Å; Y117-L155 HydrophobicContact CE2-CD2 3.18Å; Y117-L155 HydrophobicContact CE2-CG 4.02Å; Y117-L155 HydrophobicContact CG-CD2 4.41Å; Y117-F209 WeakPolarHBondContact OH-CD1 3.4Å; Y117-F209 WeakPolarHBondContact OH-CE1 3.49Å; Y117-N210 WeakPolarHBondContact CE2-OD1 3.35Å; Y117-P214 HydrophobicContact CD1-CG 4.23Å; Y117-P214 HydrophobicContact CE1-CG 3.84Å
118I98Very high96.9Very high1 Ų113.7 Ų13.71%0.0056%0.062CC..Hα-helixtrans-65.8-44.8170.5-70.9162.2000109.9F67 N70 L71 V74 N114 E115 T120 A121 M122 V152F67-I118 HydrophobicContact CB-CG2 4.39Å; N70-I118 HydrophobicContact CB-CD1 3.84Å; N70-I118 HydrophobicContact CB-CG1 4.42Å; L71-I118 HydrophobicContact CB-CG2 3.85Å; L71-I118 HydrophobicContact CD1-CG2 4.32Å; V74-I118 HydrophobicContact CG2-CD1 3.8Å; N114-I118 HydrophobicContact CB-CD1 4.42Å; N114-I118 WeakPolarHBondContact O-CB 3.22Å; N114-I118 WeakPolarHBondContact O-CD1 3.25Å; N114-I118 WeakPolarHBondContact O-CG1 3.49Å; N114-I118 PolarHBondContact O-N 2.85Å; E115-I118 PolarHBondContact O-N 3.27Å; I118-T120 PolarHBondContact O-N 2.78Å; I118-A121 WeakPolarHBondContact O-CB 3.32Å; I118-A121 PolarHBondContact O-N 2.84Å; I118-M122 HydrophobicContact CG2-CG 4.46Å; I118-M122 HydrophobicContact CG2-SD 4.1Å; I118-M122 VanDerWaalsContact O-CG 3.28Å; I118-M122 WeakPolarHBondContact O-CG 3.38Å; I118-M122 PolarHBondContact O-N 3.17Å; I118-V152 HydrophobicContact CG1-CG1 4.22Å
119L97.2Very high96.9Very high1 Ų115.4 Ų15.41%0.0058%0.077CC..Hα-helixtrans-59.1-38173.5-71.7174.8000111.4L71 E115 M122 A123 H248 A251 V252 F255L71-L119 HydrophobicContact CD2-CD2 4.21Å; E115-L119 HydrophobicContact CG-CD1 4.03Å; E115-L119 HydrophobicContact CG-CG 4.39Å; E115-L119 WeakPolarHBondContact O-CB 3.5Å; E115-L119 VanDerWaalsContact O-CG 3.32Å; E115-L119 WeakPolarHBondContact O-CG 3.37Å; E115-L119 PolarHBondContact O-N 2.98Å; L119-M122 HydrophobicContact CD2-SD 4.41Å; L119-M122 PolarHBondContact O-N 3.22Å; L119-A123 PolarHBondContact O-N 2.86Å; L119-A123 VanDerWaalsContact O-N 3.13Å; L119-H248 PolarHBondContact O-CE1 3.15Å; L119-H248 VanDerWaalsContact O-CE1 3.3Å; L119-H248 PolarHBondContact O-NE2 3.42Å; L119-A251 HydrophobicContact CD2-CB 4.48Å; L119-V252 HydrophobicContact CB-CG2 4.38Å; L119-F255 HydrophobicContact CD1-CB 4.01Å; L119-F255 HydrophobicContact CD1-CD1 4Å; L119-F255 HydrophobicContact CD1-CG 3.96Å
120T97.9Very high96.8Very high13 Ų1316.5 Ų16.58%0.088%0.082CC..Hα-helixtrans-65.4-45.7174.5-56.60000112.1C116 Y117 I118 M122 A123 Y124 P214 T217C116-T120 PolarHBondContact O-N 3.19Å; C116-T120 VanDerWaalsContact O-N 3.09Å; C116-T120 PolarHBondContact O-OG1 2.99Å; Y117-T120 WeakPolarHBondContact O-CB 3.48Å; Y117-T120 PolarHBondContact O-N 2.98Å; I118-T120 PolarHBondContact O-N 2.78Å; T120-M122 VanDerWaalsContact C-N 3.28Å; T120-M122 PolarHBondContact O-N 3.44Å; T120-A123 VanDerWaalsContact O-CB 3.3Å; T120-A123 WeakPolarHBondContact O-CB 3.44Å; T120-A123 PolarHBondContact O-N 2.88Å; T120-A123 VanDerWaalsContact O-N 3.07Å; T120-Y124 PolarHBondContact O-N 3.22Å; T120-Y124 VanDerWaalsContact O-N 3.12Å; T120-P214 VanDerWaalsContact OG1-CB 3.25Å; T120-P214 WeakPolarHBondContact OG1-CB 3.13Å; T120-T217 HydrophobicContact CG2-CG2 3.54Å
121A98.2Very high96.6Very high6 Ų615.9 Ų15.95%0.058%0.082CC..Hα-helixtrans-60.3-39175.700000111.9F67 Y117 I118 A123 Y124 D125 M148F67-A121 HydrophobicContact CD1-CB 3.93Å; F67-A121 HydrophobicContact CE1-CB 3.61Å; F67-A121 HydrophobicContact CE2-CB 4.43Å; F67-A121 HydrophobicContact CG-CB 4.48Å; F67-A121 HydrophobicContact CZ-CB 3.89Å; Y117-A121 WeakPolarHBondContact O-CB 3.37Å; Y117-A121 PolarHBondContact O-N 3.45Å; I118-A121 WeakPolarHBondContact O-CB 3.32Å; I118-A121 PolarHBondContact O-N 2.84Å; A121-A123 VanDerWaalsContact C-N 3.29Å; A121-A123 PolarHBondContact O-N 2.95Å; A121-Y124 PolarHBondContact O-N 3.44Å; A121-D125 PolarHBondContact O-N 3.04Å; A121-M148 HydrophobicContact CB-CE 3.56Å
122M97.6Very high96.4Very high0 Ų020.1 Ų20.10%010%0.1CC..Hα-helixtrans-65.6-28.3174.5-72.3174.170.200113.6F67 L68 L71 I118 L119 T120 R126 Y293F67-M122 HydrophobicContact CB-CG 3.53Å; F67-M122 HydrophobicContact CB-SD 4.32Å; F67-M122 HydrophobicContact CG-CG 4.21Å; L68-M122 HydrophobicContact CD2-CE 3.52Å; L68-M122 HydrophobicContact CD2-SD 4.41Å; L68-M122 HydrophobicContact CG-CE 4.11Å; L71-M122 HydrophobicContact CD2-SD 4.05Å; I118-M122 HydrophobicContact CG2-CG 4.46Å; I118-M122 HydrophobicContact CG2-SD 4.1Å; I118-M122 VanDerWaalsContact O-CG 3.28Å; I118-M122 WeakPolarHBondContact O-CG 3.38Å; I118-M122 PolarHBondContact O-N 3.17Å; L119-M122 HydrophobicContact CD2-SD 4.41Å; L119-M122 PolarHBondContact O-N 3.22Å; T120-M122 VanDerWaalsContact C-N 3.28Å; T120-M122 PolarHBondContact O-N 3.44Å; M122-R126 WeakPolarHBondContact O-CG 3.26Å; M122-R126 PolarHBondContact O-N 3.42Å; M122-R126 PolarHBondContact O-NH1 2.98Å; M122-R126 VanDerWaalsContact O-NH1 3.11Å; M122-Y293 HydrophobicContact CE-CD1 4.21Å; M122-Y293 HydrophobicContact CE-CE1 3.56Å; M122-Y293 HydrophobicContact CE-CE2 4.16Å
123A97.9Very high96.4Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-69.8-44171.200000110.7L119 T120 A121 R126 Y127 I218 Y222L119-A123 PolarHBondContact O-N 2.86Å; L119-A123 VanDerWaalsContact O-N 3.13Å; T120-A123 VanDerWaalsContact O-CB 3.3Å; T120-A123 WeakPolarHBondContact O-CB 3.44Å; T120-A123 PolarHBondContact O-N 2.88Å; T120-A123 VanDerWaalsContact O-N 3.07Å; A121-A123 VanDerWaalsContact C-N 3.29Å; A121-A123 PolarHBondContact O-N 2.95Å; A123-R126 PolarHBondContact O-N 3.42Å; A123-Y127 PolarHBondContact O-N 3.35Å; A123-I218 HydrophobicContact CB-CG1 3.93Å; A123-Y222 HydrophobicContact CB-CE2 4.07Å
124Y97.4Very high96.3Very high86 Ų8630.7 Ų30.734%0.33716%0.16SC..Hα-helixtrans-65.3-39.7177-176.3-114.9000112.3T120 A121 R126 Y127 A128 M140 M148T120-Y124 PolarHBondContact O-N 3.22Å; T120-Y124 VanDerWaalsContact O-N 3.12Å; A121-Y124 PolarHBondContact O-N 3.44Å; Y124-R126 PolarHBondContact O-N 3.44Å; Y124-Y127 AromaticContact CD2-CD1 3.75Å; Y124-Y127 HydrophobicContact CD2-CD1 3.75Å; Y124-Y127 HydrophobicContact CD2-CE1 4.33Å; Y124-Y127 AromaticContact CE2-CD1 3.72Å; Y124-Y127 HydrophobicContact CE2-CD1 3.72Å; Y124-Y127 AromaticContact CE2-CE1 3.86Å; Y124-Y127 HydrophobicContact CE2-CE1 3.86Å; Y124-Y127 PolarHBondContact O-N 3.45Å; Y124-A128 WeakPolarHBondContact O-CB 3.46Å; Y124-A128 PolarHBondContact O-N 3.5Å; Y124-M140 HydrophobicContact CD1-CE 3.04Å; Y124-M140 HydrophobicContact CE1-CE 3.37Å; Y124-M140 HydrophobicContact CG-CE 3.97Å; Y124-M148 HydrophobicContact CD1-CE 4Å
125D97.1Very high96.2Very high5 Ų535.4 Ų35.43%0.02718%0.184CC..Hα-helixtrans-54.6-50.1171.4170.465.5000111.9F67 A121 Y127 A128 A129 Y136 M140F67-D125 HydrophobicContact CD2-CB 4.33Å; F67-D125 HydrophobicContact CE2-CB 4.26Å; A121-D125 PolarHBondContact O-N 3.04Å; D125-Y127 PolarHBondContact O-N 3.42Å; D125-A128 PolarHBondContact O-N 3.36Å; D125-A129 WeakPolarHBondContact O-CB 3.32Å; D125-A129 PolarHBondContact O-N 3.09Å; D125-Y136 WeakPolarHBondContact OD1-CE2 3.3Å; D125-Y136 PolarHBondContact OD1-OH 2.88Å; D125-M140 VanDerWaalsContact CA-CE 3.46Å; D125-M140 HydrophobicContact CB-CE 4.06Å; D125-M140 HydrophobicContact CB-SD 4.16Å
126R95.7Very high96.2Very high10 Ų1037.6 Ų37.64%0.03819%0.193CC..Hα-helixtrans-61.5-43.3177.5-74.4167.1170.667.92.9112.2M122 A123 Y124 A129 I130 Y222 I225 T244 H248M122-R126 WeakPolarHBondContact O-CG 3.26Å; M122-R126 PolarHBondContact O-N 3.42Å; M122-R126 PolarHBondContact O-NH1 2.98Å; M122-R126 VanDerWaalsContact O-NH1 3.11Å; A123-R126 PolarHBondContact O-N 3.42Å; Y124-R126 PolarHBondContact O-N 3.44Å; R126-A129 PolarHBondContact O-N 3.44Å; R126-I130 WeakPolarHBondContact O-CB 3.06Å; R126-I130 WeakPolarHBondContact O-CG1 3.3Å; R126-I130 PolarHBondContact O-N 3.31Å; R126-Y222 WeakPolarHBondContact CD-OH 3.38Å; R126-I225 HydrophobicContact CB-CD1 4Å; R126-T244 PolarHBondContact NE-O 3.5Å; R126-T244 PolarHBondContact NH2-O 3.48Å; R126-T244 VanDerWaalsContact NH2-O 3.11Å; R126-H248 VanDerWaalsContact CZ-CB 3.48Å; R126-H248 VanDerWaalsContact NE-CB 3.33Å
127Y96.4Very high96.1Very high45 Ų4545.5 Ų45.518%0.17623%0.229CC..Hα-helixtrans-59.7-49.7175.5156.9-100000111.2A123 Y124 D125 A129 I130 C131 L224A123-Y127 PolarHBondContact O-N 3.35Å; Y124-Y127 AromaticContact CD2-CD1 3.75Å; Y124-Y127 HydrophobicContact CD2-CD1 3.75Å; Y124-Y127 HydrophobicContact CD2-CE1 4.33Å; Y124-Y127 AromaticContact CE2-CD1 3.72Å; Y124-Y127 HydrophobicContact CE2-CD1 3.72Å; Y124-Y127 AromaticContact CE2-CE1 3.86Å; Y124-Y127 HydrophobicContact CE2-CE1 3.86Å; Y124-Y127 PolarHBondContact O-N 3.45Å; D125-Y127 PolarHBondContact O-N 3.42Å; Y127-A129 VanDerWaalsContact C-N 3.32Å; Y127-A129 PolarHBondContact O-N 3.34Å; Y127-I130 PolarHBondContact O-N 3.3Å; Y127-C131 HydrophobicContact CD2-CB 3.73Å; Y127-C131 HydrophobicContact CE2-CB 3.55Å; Y127-C131 VanDerWaalsContact O-CB 3.26Å; Y127-C131 WeakPolarHBondContact O-CB 3.31Å; Y127-C131 PolarHBondContact O-N 3.41Å; Y127-L224 HydrophobicContact CD2-CB 3.94Å; Y127-L224 HydrophobicContact CD2-CD1 4.1Å; Y127-L224 HydrophobicContact CE2-CB 3.96Å; Y127-L224 HydrophobicContact CE2-CD1 3.61Å; Y127-L224 HydrophobicContact CE2-CG 4.43Å
128A96.7Very high95.9Very high1 Ų149.4 Ų49.41%0.00826%0.256CS..Hα-helixtrans-62.2-42-179.500000111.3Y124 D125 K132 Y136 M140Y124-A128 WeakPolarHBondContact O-CB 3.46Å; Y124-A128 PolarHBondContact O-N 3.5Å; D125-A128 PolarHBondContact O-N 3.36Å; A128-K132 CarbonylContact O-C 3.16Å; A128-K132 WeakPolarHBondContact O-CA 3.49Å; A128-K132 PolarHBondContact O-N 2.86Å; A128-K132 VanDerWaalsContact O-N 3.11Å; A128-Y136 HydrophobicContact CB-CD2 3.88Å; A128-Y136 HydrophobicContact CB-CE2 4.35Å; A128-M140 HydrophobicContact CB-CE 4.36Å; A128-M140 HydrophobicContact CB-CG 4.13Å
129A94.8Very high95.8Very high40 Ų4051.3 Ų51.333%0.33127%0.268SS..Hα-helixtrans-64-41.3179.300000112.8D125 R126 Y127 Y136D125-A129 WeakPolarHBondContact O-CB 3.32Å; D125-A129 PolarHBondContact O-N 3.09Å; R126-A129 PolarHBondContact O-N 3.44Å; Y127-A129 VanDerWaalsContact C-N 3.32Å; Y127-A129 PolarHBondContact O-N 3.34Å; A129-Y136 VanDerWaalsContact CA-CD2 3.49Å; A129-Y136 HydrophobicContact CB-CD2 3.89Å; A129-Y136 HydrophobicContact CB-CE2 3.67Å
130I93.8Very high95.8Very high26 Ų2651.5 Ų51.513%0.13327%0.268CS..Hα-helixtrans-87.4-47.6-174.7-67.2168.4000111.8R126 Y127 I225 I232 A241R126-I130 WeakPolarHBondContact O-CB 3.06Å; R126-I130 WeakPolarHBondContact O-CG1 3.3Å; R126-I130 PolarHBondContact O-N 3.31Å; Y127-I130 PolarHBondContact O-N 3.3Å; I130-I225 HydrophobicContact CD1-CG1 4.36Å; I130-I225 HydrophobicContact CD1-CG2 3.81Å; I130-I225 HydrophobicContact CG2-CG2 4.39Å; I130-I232 HydrophobicContact CG2-CD1 4.14Å; I130-A241 HydrophobicContact CD1-CB 3.9Å; I130-A241 HydrophobicContact CG1-CB 4.45Å
131C94.8Very high95.8Very high16 Ų1652.5 Ų52.511%0.10828%0.276CS..Hα-helixtrans-91.2-18.7-170.1-57.30000113.1Y127 L224 N228Y127-C131 HydrophobicContact CD2-CB 3.73Å; Y127-C131 HydrophobicContact CE2-CB 3.55Å; Y127-C131 VanDerWaalsContact O-CB 3.26Å; Y127-C131 WeakPolarHBondContact O-CB 3.31Å; Y127-C131 PolarHBondContact O-N 3.41Å; C131-L224 PolarHBondContact SG-O 2.54Å; C131-L224 VanDerWaalsContact SG-O 3.38Å; C131-N228 PolarHBondContact SG-ND2 2.98Å; C131-N228 VanDerWaalsContact SG-ND2 3.44Å
132K93.5Very high95.7Very high102 Ų10258.5 Ų58.544%0.44330%0.303SS..  trans-135.951.6-177.3-58.9-66.1173.7-168.80112.6A128 L134 L135 Y136A128-K132 CarbonylContact O-C 3.16Å; A128-K132 WeakPolarHBondContact O-CA 3.49Å; A128-K132 PolarHBondContact O-N 2.86Å; A128-K132 VanDerWaalsContact O-N 3.11Å; K132-L134 VanDerWaalsContact C-N 3.28Å; K132-L134 PolarHBondContact O-N 3.03Å; K132-L134 VanDerWaalsContact O-N 3.14Å; K132-L135 HydrophobicContact CB-CB 4.42Å; K132-L135 PolarHBondContact O-N 2.9Å; K132-Y136 PolarHBondContact O-N 3.47Å
133P92.5Very high95.7Very high86 Ų8666 Ų6656%0.55834%0.338SS*.THydrogen-bonded Turntrans-58.6-34.9-171.824-34.9000113.9L135 Y136P133-L135 VanDerWaalsContact C-N 3.3Å; P133-L135 PolarHBondContact O-N 3.19Å; P133-Y136 PolarHBondContact O-N 2.88Å
134L94.8Very high95.7Very high172 Ų17268.4 Ų68.490%0.90135%0.352SS*.THydrogen-bonded Turntrans-70.5-23.4178.9-62.6178.4000113.7K132K132-L134 VanDerWaalsContact C-N 3.28Å; K132-L134 PolarHBondContact O-N 3.03Å; K132-L134 VanDerWaalsContact O-N 3.14Å
135L95.8Very high95.7Very high98 Ų9864.4 Ų64.451%0.51334%0.337SS..THydrogen-bonded Turntrans-102.1-11.6-179.6-63175.2000112.4K132 P133 Q137 V138 T139K132-L135 HydrophobicContact CB-CB 4.42Å; K132-L135 PolarHBondContact O-N 2.9Å; P133-L135 VanDerWaalsContact C-N 3.3Å; P133-L135 PolarHBondContact O-N 3.19Å; L135-Q137 VanDerWaalsContact C-N 3.3Å; L135-Q137 PolarHBondContact O-N 2.87Å; L135-V138 PolarHBondContact O-N 3.19Å; L135-T139 HydrophobicContact CB-CG2 4.03Å; L135-T139 PolarHBondContact O-N 3.27Å; L135-T139 PolarHBondContact O-OG1 2.72Å
136Y96.5Very high95.8Very high48 Ų4868 Ų6819%0.18836%0.356CS..Hα-helixtrans-52-44.6-172.1-179.9-107.9000113.3P63 D125 A128 A129 K132 P133 V138 T139 M140P63-Y136 HydrophobicContact CG-CE1 4.42Å; D125-Y136 WeakPolarHBondContact OD1-CE2 3.3Å; D125-Y136 PolarHBondContact OD1-OH 2.88Å; A128-Y136 HydrophobicContact CB-CD2 3.88Å; A128-Y136 HydrophobicContact CB-CE2 4.35Å; A129-Y136 VanDerWaalsContact CA-CD2 3.49Å; A129-Y136 HydrophobicContact CB-CD2 3.89Å; A129-Y136 HydrophobicContact CB-CE2 3.67Å; K132-Y136 PolarHBondContact O-N 3.47Å; P133-Y136 PolarHBondContact O-N 2.88Å; Y136-V138 PolarHBondContact O-N 3.46Å; Y136-T139 WeakPolarHBondContact CA-OG1 3.43Å; Y136-T139 PolarHBondContact O-N 3.22Å; Y136-T139 PolarHBondContact O-OG1 2.88Å; Y136-M140 HydrophobicContact CD2-CB 3.96Å; Y136-M140 HydrophobicContact CD2-CG 3.91Å; Y136-M140 HydrophobicContact CE2-CB 3.65Å; Y136-M140 HydrophobicContact CE2-CG 3.56Å; Y136-M140 WeakPolarHBondContact O-CA 3.36Å; Y136-M140 WeakPolarHBondContact O-CB 3.44Å; Y136-M140 PolarHBondContact O-N 3.15Å
137Q93.6Very high95.9Very high171 Ų17173.6 Ų73.680%0.79939%0.386SS*.Hα-helixtrans-62.3-29.8-179-69.2-173-18.600113.4L135L135-Q137 VanDerWaalsContact C-N 3.3Å; L135-Q137 PolarHBondContact O-N 2.87Å
138V94.5Very high96Very high111 Ų11173.8 Ų73.867%0.67339%0.389SS*.Hα-helixtrans-87.5-44.2178.3-177.30000110.3L135 Y136 M140L135-V138 PolarHBondContact O-N 3.19Å; Y136-V138 PolarHBondContact O-N 3.46Å; V138-M140 VanDerWaalsContact C-N 3.35Å; V138-M140 PolarHBondContact O-N 3.27Å
139T95.7Very high96.1Very high41 Ų4174 Ų7425%0.25239%0.39SS..Hα-helixtrans-74.2-24.2-177.259.80000113.5L135 Y136 V144L135-T139 HydrophobicContact CB-CG2 4.03Å; L135-T139 PolarHBondContact O-N 3.27Å; L135-T139 PolarHBondContact O-OG1 2.72Å; Y136-T139 WeakPolarHBondContact CA-OG1 3.43Å; Y136-T139 PolarHBondContact O-N 3.22Å; Y136-T139 PolarHBondContact O-OG1 2.88Å; T139-V144 WeakPolarHBondContact O-CG1 3.49Å
140M97.3Very high96.3Very high4 Ų475.6 Ų75.62%0.0240%0.395CS..THydrogen-bonded Turntrans-120.741.5176-73.9-76.2166.700110.5P63 F67 Y124 D125 A128 Y136 V138 M148P63-M140 HydrophobicContact CB-CB 4.05Å; P63-M140 HydrophobicContact CB-SD 4.46Å; P63-M140 HydrophobicContact CG-CB 3.93Å; P63-M140 WeakPolarHBondContact CG-O 3.43Å; F67-M140 HydrophobicContact CE2-SD 4.13Å; Y124-M140 HydrophobicContact CD1-CE 3.04Å; Y124-M140 HydrophobicContact CE1-CE 3.37Å; Y124-M140 HydrophobicContact CG-CE 3.97Å; D125-M140 VanDerWaalsContact CA-CE 3.46Å; D125-M140 HydrophobicContact CB-CE 4.06Å; D125-M140 HydrophobicContact CB-SD 4.16Å; A128-M140 HydrophobicContact CB-CE 4.36Å; A128-M140 HydrophobicContact CB-CG 4.13Å; Y136-M140 HydrophobicContact CD2-CB 3.96Å; Y136-M140 HydrophobicContact CD2-CG 3.91Å; Y136-M140 HydrophobicContact CE2-CB 3.65Å; Y136-M140 HydrophobicContact CE2-CG 3.56Å; Y136-M140 WeakPolarHBondContact O-CA 3.36Å; Y136-M140 WeakPolarHBondContact O-CB 3.44Å; Y136-M140 PolarHBondContact O-N 3.15Å; V138-M140 VanDerWaalsContact C-N 3.35Å; V138-M140 PolarHBondContact O-N 3.27Å; M140-M148 HydrophobicContact CE-SD 4.42Å
141S97Very high96.5Very high34 Ų3476.2 Ų76.224%0.23841%0.409CS..  trans-68.5157.7170.269.10000110.7Q143 V144 C145S141-Q143 PolarHBondContact O-N 3.44Å; S141-Q143 VanDerWaalsContact O-N 3.16Å; S141-V144 PolarHBondContact O-N 3.11Å; S141-V144 WeakPolarHBondContact OG-CG2 3.29Å; S141-C145 PolarHBondContact O-N 3.35Å; S141-C145 PolarHBondContact O-SG 2.93Å; S141-C145 VanDerWaalsContact O-SG 3.39Å
142H96.3Very high96.6Very high132 Ų13276.1 Ų76.161%0.61141%0.407SS*.Hα-helixtrans-54.7-36.5178.7-177.2-88.4000113C145 L146H142-C145 PolarHBondContact O-N 3.01Å; H142-L146 VanDerWaalsContact O-CB 3.28Å; H142-L146 WeakPolarHBondContact O-CB 3.33Å; H142-L146 PolarHBondContact O-N 3.38Å
143Q97.7Very high96.9Very high158 Ų15873.7 Ų73.774%0.73840%0.396SS*.Hα-helixtrans-65.8-41177.5-67.9176.6-900112S141 L146 L147S141-Q143 PolarHBondContact O-N 3.44Å; S141-Q143 VanDerWaalsContact O-N 3.16Å; Q143-L146 PolarHBondContact O-N 3.03Å; Q143-L147 WeakPolarHBondContact O-CB 3.08Å; Q143-L147 PolarHBondContact O-N 3.02Å
144V97.9Very high97.2Very high50 Ų5073.6 Ų73.630%0.30339%0.393SS..Hα-helixtrans-67.5-45.4176.5176.60000110.3T139 S141 L146 L147 M148T139-V144 WeakPolarHBondContact O-CG1 3.49Å; S141-V144 PolarHBondContact O-N 3.11Å; S141-V144 WeakPolarHBondContact OG-CG2 3.29Å; V144-L146 VanDerWaalsContact C-N 3.3Å; V144-L146 PolarHBondContact O-N 3.39Å; V144-L147 PolarHBondContact O-N 2.73Å; V144-M148 HydrophobicContact CG1-CG 4.36Å; V144-M148 HydrophobicContact CG1-SD 4.04Å; V144-M148 VanDerWaalsContact O-CG 3.28Å; V144-M148 WeakPolarHBondContact O-CG 3.41Å; V144-M148 PolarHBondContact O-N 3.3Å
145C98.3Very high97.3Very high2 Ų267.8 Ų67.81%0.01436%0.363CS..Hα-helixtrans-60.1-40.7176.3-61.60000112.2Y66 F67 S141 H142 T149Y66-C145 HydrophobicContact CD1-CB 3.68Å; Y66-C145 HydrophobicContact CE1-CB 3.69Å; Y66-C145 HydrophobicContact CG-CB 4.49Å; F67-C145 HydrophobicContact CZ-CB 4.15Å; S141-C145 PolarHBondContact O-N 3.35Å; S141-C145 PolarHBondContact O-SG 2.93Å; S141-C145 VanDerWaalsContact O-SG 3.39Å; H142-C145 PolarHBondContact O-N 3.01Å; C145-T149 WeakPolarHBondContact O-CB 3.2Å; C145-T149 PolarHBondContact O-N 3.49Å; C145-T149 PolarHBondContact O-OG1 3.42Å
146L98.2Very high97.5Very high81 Ų8163.1 Ų63.142%0.42434%0.339SS..Hα-helixtrans-62.9-48.4174.7179.263.2000111.2H142 Q143 V144 M148 T149 V150H142-L146 VanDerWaalsContact O-CB 3.28Å; H142-L146 WeakPolarHBondContact O-CB 3.33Å; H142-L146 PolarHBondContact O-N 3.38Å; Q143-L146 PolarHBondContact O-N 3.03Å; V144-L146 VanDerWaalsContact C-N 3.3Å; V144-L146 PolarHBondContact O-N 3.39Å; L146-M148 VanDerWaalsContact C-N 3.35Å; L146-M148 PolarHBondContact O-N 2.82Å; L146-T149 PolarHBondContact O-N 3.3Å; L146-T149 VanDerWaalsContact O-N 3.17Å; L146-V150 HydrophobicContact CD1-CG2 4.16Å; L146-V150 HydrophobicContact CG-CG2 4.41Å; L146-V150 WeakPolarHBondContact O-CG2 3.37Å; L146-V150 PolarHBondContact O-N 3.37Å
147L98.3Very high97.5Very high128 Ų12865.8 Ų65.867%0.6735%0.351SS*.Hα-helixtrans-59.3-45.4178.117963.2000111.8Q143 V144 T149 V150 G151Q143-L147 WeakPolarHBondContact O-CB 3.08Å; Q143-L147 PolarHBondContact O-N 3.02Å; V144-L147 PolarHBondContact O-N 2.73Å; L147-T149 VanDerWaalsContact C-N 3.32Å; L147-T149 PolarHBondContact O-N 3.42Å; L147-V150 PolarHBondContact O-N 3.48Å; L147-G151 PolarHBondContact O-N 2.77Å
148M98.1Very high97.8Very high49 Ų4961.7 Ų61.724%0.24134%0.338CS..Hα-helixtrans-57.1-47.9175-70.5172.973.100110.6F67 A121 Y124 M140 V144 L146 G151 V152F67-M148 HydrophobicContact CE1-CB 4.47Å; F67-M148 HydrophobicContact CZ-CE 4.02Å; F67-M148 HydrophobicContact CZ-SD 3.97Å; A121-M148 HydrophobicContact CB-CE 3.56Å; Y124-M148 HydrophobicContact CD1-CE 4Å; M140-M148 HydrophobicContact CE-SD 4.42Å; V144-M148 HydrophobicContact CG1-CG 4.36Å; V144-M148 HydrophobicContact CG1-SD 4.04Å; V144-M148 VanDerWaalsContact O-CG 3.28Å; V144-M148 WeakPolarHBondContact O-CG 3.41Å; V144-M148 PolarHBondContact O-N 3.3Å; L146-M148 VanDerWaalsContact C-N 3.35Å; L146-M148 PolarHBondContact O-N 2.82Å; M148-G151 PolarHBondContact O-N 2.73Å; M148-V152 WeakPolarHBondContact O-CG2 3.28Å; M148-V152 PolarHBondContact O-N 3.12Å
149T98.4Very high97.9Very high5 Ų557.1 Ų57.13%0.03131%0.309CS..Hα-helixtrans-65.9-43-177.9-59.70000112.6Y66 N70 C145 L146 L147 G151 V152 Y153Y66-T149 WeakPolarHBondContact CE1-OG1 3.44Å; Y66-T149 PolarHBondContact OH-OG1 3.08Å; N70-T149 WeakPolarHBondContact OD1-CG2 3.36Å; C145-T149 WeakPolarHBondContact O-CB 3.2Å; C145-T149 PolarHBondContact O-N 3.49Å; C145-T149 PolarHBondContact O-OG1 3.42Å; L146-T149 PolarHBondContact O-N 3.3Å; L146-T149 VanDerWaalsContact O-N 3.17Å; L147-T149 VanDerWaalsContact C-N 3.32Å; L147-T149 PolarHBondContact O-N 3.42Å; T149-G151 VanDerWaalsContact C-N 3.28Å; T149-G151 PolarHBondContact O-N 3.13Å; T149-V152 WeakPolarHBondContact O-CB 3.28Å; T149-V152 PolarHBondContact O-N 3.07Å; T149-Y153 HydrophobicContact CG2-CD2 3.64Å; T149-Y153 HydrophobicContact CG2-CE2 3.32Å; T149-Y153 WeakPolarHBondContact O-CD2 3.33Å; T149-Y153 PolarHBondContact O-N 3.25Å
150V98.6Very high98.1Very high73 Ų7355.2 Ų55.244%0.44230%0.297SS..Hα-helixtrans-59.6-43.3173.3170.40000110.1L146 L147 V152 Y153 V154L146-V150 HydrophobicContact CD1-CG2 4.16Å; L146-V150 HydrophobicContact CG-CG2 4.41Å; L146-V150 WeakPolarHBondContact O-CG2 3.37Å; L146-V150 PolarHBondContact O-N 3.37Å; L147-V150 PolarHBondContact O-N 3.48Å; V150-V152 VanDerWaalsContact C-N 3.34Å; V150-V152 PolarHBondContact O-N 2.93Å; V150-Y153 PolarHBondContact O-N 3.14Å; V150-V154 HydrophobicContact CG1-CG2 4.22Å; V150-V154 WeakPolarHBondContact O-CB 3.48Å; V150-V154 VanDerWaalsContact O-CG2 3.28Å; V150-V154 WeakPolarHBondContact O-CG2 3.28Å; V150-V154 PolarHBondContact O-N 3.49Å
151G98.5Very high98.1Very high40 Ų4058.8 Ų58.841%0.41232%0.316SS..Hα-helixtrans-57.7-44.7174.200000112.8L147 M148 T149 V154 L155L147-G151 PolarHBondContact O-N 2.77Å; M148-G151 PolarHBondContact O-N 2.73Å; T149-G151 VanDerWaalsContact C-N 3.28Å; T149-G151 PolarHBondContact O-N 3.13Å; G151-V154 PolarHBondContact O-N 3.46Å; G151-L155 VanDerWaalsContact O-CB 3.28Å; G151-L155 WeakPolarHBondContact O-CB 3.43Å; G151-L155 PolarHBondContact O-N 2.81Å
152V98.3Very high98.1Very high13 Ų1359 Ų598%0.07932%0.32CS..Hα-helixtrans-59.2-50.1175.51730000111.8N114 Y117 I118 M148 T149 V150 L155 G156N114-V152 HydrophobicContact CB-CG1 4Å; N114-V152 PolarHBondContact ND2-O 2.98Å; N114-V152 VanDerWaalsContact ND2-O 3.09Å; Y117-V152 VanDerWaalsContact CB-CG2 3.47Å; Y117-V152 HydrophobicContact CG-CG2 4.5Å; I118-V152 HydrophobicContact CG1-CG1 4.22Å; M148-V152 WeakPolarHBondContact O-CG2 3.28Å; M148-V152 PolarHBondContact O-N 3.12Å; T149-V152 WeakPolarHBondContact O-CB 3.28Å; T149-V152 PolarHBondContact O-N 3.07Å; V150-V152 VanDerWaalsContact C-N 3.34Å; V150-V152 PolarHBondContact O-N 2.93Å; V152-L155 PolarHBondContact O-N 2.96Å; V152-G156 PolarHBondContact O-N 3.13Å
153Y98.6Very high98.1Very high52 Ų5253.2 Ų53.220%0.20429%0.293CS..Hα-helixtrans-65.2-41.3-179.4-75.4-60.9000112.4N70 V74 F110 N114 T149 V150 F157N70-Y153 WeakPolarHBondContact OD1-CE2 3.4Å; N70-Y153 PolarHBondContact OD1-OH 3.01Å; V74-Y153 HydrophobicContact CG2-CE1 4.41Å; F110-Y153 HydrophobicContact CE1-CD1 4.29Å; F110-Y153 HydrophobicContact CE2-CD1 4.36Å; F110-Y153 WeakPolarHBondContact CE2-O 3.2Å; F110-Y153 AromaticContact CZ-CD1 3.63Å; F110-Y153 HydrophobicContact CZ-CD1 3.63Å; F110-Y153 HydrophobicContact CZ-CE1 4.32Å; N114-Y153 WeakPolarHBondContact OD1-CD1 3.43Å; N114-Y153 VanDerWaalsContact OD1-CE1 3.29Å; N114-Y153 WeakPolarHBondContact OD1-CE1 3.48Å; T149-Y153 HydrophobicContact CG2-CD2 3.64Å; T149-Y153 HydrophobicContact CG2-CE2 3.32Å; T149-Y153 WeakPolarHBondContact O-CD2 3.33Å; T149-Y153 PolarHBondContact O-N 3.25Å; V150-Y153 PolarHBondContact O-N 3.14Å; Y153-F157 VanDerWaalsContact O-CB 3.32Å; Y153-F157 WeakPolarHBondContact O-CB 3.47Å; Y153-F157 PolarHBondContact O-N 3.36Å
154V98.6Very high98.1Very high84 Ų8446.6 Ų46.651%0.50926%0.263SS..Hα-helixtrans-62.9-44.9176.5169.50000110.9V150 G151 F157 V158V150-V154 HydrophobicContact CG1-CG2 4.22Å; V150-V154 WeakPolarHBondContact O-CB 3.48Å; V150-V154 VanDerWaalsContact O-CG2 3.28Å; V150-V154 WeakPolarHBondContact O-CG2 3.28Å; V150-V154 PolarHBondContact O-N 3.49Å; G151-V154 PolarHBondContact O-N 3.46Å; V154-F157 PolarHBondContact O-N 2.87Å; V154-V158 HydrophobicContact CG1-CG2 4.48Å; V154-V158 WeakPolarHBondContact O-CG2 3.5Å; V154-V158 PolarHBondContact O-N 2.89Å
155L98Very high98Very high50 Ų5045.6 Ų45.626%0.26226%0.263SS..Hα-helixtrans-62.3-49.3178.8-178.358.8000111.5Y117 G151 V152 F157 V158 E159 F209Y117-L155 HydrophobicContact CD2-CD2 3.77Å; Y117-L155 HydrophobicContact CE1-CD2 4.04Å; Y117-L155 HydrophobicContact CE2-CD2 3.18Å; Y117-L155 HydrophobicContact CE2-CG 4.02Å; Y117-L155 HydrophobicContact CG-CD2 4.41Å; G151-L155 VanDerWaalsContact O-CB 3.28Å; G151-L155 WeakPolarHBondContact O-CB 3.43Å; G151-L155 PolarHBondContact O-N 2.81Å; V152-L155 PolarHBondContact O-N 2.96Å; L155-F157 VanDerWaalsContact C-N 3.25Å; L155-F157 PolarHBondContact O-N 3.26Å; L155-V158 PolarHBondContact O-N 3.49Å; L155-E159 HydrophobicContact CD1-CG 4.19Å; L155-E159 WeakPolarHBondContact CD1-OE1 3.31Å; L155-E159 WeakPolarHBondContact O-CG 3.46Å; L155-E159 PolarHBondContact O-N 2.79Å; L155-F209 HydrophobicContact CD2-CE1 4.21Å
156G98.4Very high97.9Very high0 Ų046.3 Ų46.30%027%0.268CS..Hα-helixtrans-59.7-36.2176.100000112.8V152 A160V152-G156 PolarHBondContact O-N 3.13Å; G156-A160 WeakPolarHBondContact O-CB 3.31Å; G156-A160 PolarHBondContact O-N 3.24Å
157F98.5Very high97.7Very high103 Ų10342.5 Ų42.545%0.45225%0.248SC..Hα-helixtrans-66.4-47.6176.7-175.7-98.5000112.1F106 F110 Y153 V154 L155 E159 A160 I161F106-F157 HydrophobicContact CE2-CD2 4.41Å; F106-F157 HydrophobicContact CE2-CE2 4.4Å; F106-F157 AromaticContact CZ-CD2 3.75Å; F106-F157 HydrophobicContact CZ-CD2 3.75Å; F106-F157 AromaticContact CZ-CE2 3.77Å; F106-F157 HydrophobicContact CZ-CE2 3.77Å; F110-F157 HydrophobicContact CD2-CB 4.21Å; F110-F157 HydrophobicContact CE2-CB 3.97Å; Y153-F157 VanDerWaalsContact O-CB 3.32Å; Y153-F157 WeakPolarHBondContact O-CB 3.47Å; Y153-F157 PolarHBondContact O-N 3.36Å; V154-F157 PolarHBondContact O-N 2.87Å; L155-F157 VanDerWaalsContact C-N 3.25Å; L155-F157 PolarHBondContact O-N 3.26Å; F157-E159 PolarHBondContact O-N 3.17Å; F157-A160 PolarHBondContact O-N 2.86Å; F157-I161 HydrophobicContact CD1-CD1 3.84Å; F157-I161 HydrophobicContact CE1-CD1 3.23Å; F157-I161 HydrophobicContact CE1-CG1 4.23Å; F157-I161 HydrophobicContact CE2-CD1 4.26Å; F157-I161 HydrophobicContact CZ-CD1 3.48Å; F157-I161 VanDerWaalsContact CZ-CD1 3.48Å; F157-I161 HydrophobicContact CZ-CG1 4.34Å; F157-I161 WeakPolarHBondContact O-CG1 3.27Å; F157-I161 PolarHBondContact O-N 3.32Å
158V98.4Very high97.5Very high86 Ų8640.2 Ų40.252%0.52124%0.239SC..Hα-helixtrans-61-45.5179.5169.50000111V154 L155 I161 A162V154-V158 HydrophobicContact CG1-CG2 4.48Å; V154-V158 WeakPolarHBondContact O-CG2 3.5Å; V154-V158 PolarHBondContact O-N 2.89Å; L155-V158 PolarHBondContact O-N 3.49Å; V158-I161 PolarHBondContact O-N 2.97Å; V158-A162 PolarHBondContact O-N 3.38Å
159E97.9Very high97.2Very high15 Ų1545.3 Ų45.37%0.0726%0.262CS..Hα-helixtrans-71.9-37.7-179-71.2-179.2175.300112.5I113 L155 F157 I161 A162 H163 V206 N210I113-E159 HydrophobicContact CD1-CB 3.45Å; I113-E159 VanDerWaalsContact CD1-CB 3.45Å; I113-E159 HydrophobicContact CD1-CG 4.41Å; I113-E159 WeakPolarHBondContact CD1-OE2 3.48Å; I113-E159 WeakPolarHBondContact CG1-OE2 3.2Å; I113-E159 WeakPolarHBondContact CG2-OE2 3.31Å; L155-E159 HydrophobicContact CD1-CG 4.19Å; L155-E159 WeakPolarHBondContact CD1-OE1 3.31Å; L155-E159 WeakPolarHBondContact O-CG 3.46Å; L155-E159 PolarHBondContact O-N 2.79Å; F157-E159 PolarHBondContact O-N 3.17Å; E159-I161 PolarHBondContact O-N 2.84Å; E159-A162 WeakPolarHBondContact O-CB 3.44Å; E159-A162 PolarHBondContact O-N 3.33Å; E159-H163 PolarHBondContact O-CD2 3.09Å; E159-H163 VanDerWaalsContact O-CD2 3.28Å; E159-H163 PolarHBondContact O-N 3.31Å; E159-V206 HydrophobicContact CB-CG1 4.11Å; E159-V206 HydrophobicContact CB-CG2 4.48Å; E159-V206 HydrophobicContact CG-CG1 4.19Å; E159-V206 HydrophobicContact CG-CG2 4.31Å; E159-N210 VanDerWaalsContact CD-ND2 3.31Å; E159-N210 PolarHBondContact OE1-ND2 3.3Å; E159-N210 PolarHBondContact OE2-ND2 2.94Å
160A98.2Very high97Very high0 Ų045.9 Ų45.90%027%0.265CS..Hα-helixtrans-61.1-44.217200000111.5F106 C109 F110 G156 F157 A162 H163 T164F106-A160 HydrophobicContact CD2-CB 3.75Å; F106-A160 HydrophobicContact CE2-CB 3.67Å; F106-A160 HydrophobicContact CG-CB 4.49Å; F106-A160 HydrophobicContact CZ-CB 4.35Å; C109-A160 HydrophobicContact CB-CB 3.89Å; F110-A160 HydrophobicContact CB-CB 3.93Å; G156-A160 WeakPolarHBondContact O-CB 3.31Å; G156-A160 PolarHBondContact O-N 3.24Å; F157-A160 PolarHBondContact O-N 2.86Å; A160-A162 VanDerWaalsContact C-N 3.31Å; A160-A162 PolarHBondContact O-N 3.12Å; A160-H163 PolarHBondContact O-N 3.37Å; A160-T164 PolarHBondContact O-N 2.89Å; A160-T164 PolarHBondContact O-OG1 3.47Å
161I97.9Very high96.8Very high79 Ų7945.4 Ų45.441%0.40526%0.262SS..Hα-helixtrans-60-41.9173.2-74.5-174.8000111.2F106 F157 V158 E159 H163 T164 G165F106-I161 HydrophobicContact CE2-CG1 3.89Å; F157-I161 HydrophobicContact CD1-CD1 3.84Å; F157-I161 HydrophobicContact CE1-CD1 3.23Å; F157-I161 HydrophobicContact CE1-CG1 4.23Å; F157-I161 HydrophobicContact CE2-CD1 4.26Å; F157-I161 HydrophobicContact CZ-CD1 3.48Å; F157-I161 VanDerWaalsContact CZ-CD1 3.48Å; F157-I161 HydrophobicContact CZ-CG1 4.34Å; F157-I161 WeakPolarHBondContact O-CG1 3.27Å; F157-I161 PolarHBondContact O-N 3.32Å; V158-I161 PolarHBondContact O-N 2.97Å; E159-I161 PolarHBondContact O-N 2.84Å; I161-H163 PolarHBondContact O-N 3.45Å; I161-T164 PolarHBondContact O-N 2.92Å; I161-G165 VanDerWaalsContact O-CA 3.29Å; I161-G165 WeakPolarHBondContact O-CA 3.5Å; I161-G165 PolarHBondContact O-N 3.25Å
162A97.4Very high96.6Very high39 Ų3943.7 Ų43.732%0.32224%0.243SC..Hα-helixtrans-59-48.8179.600000111V158 E159 A160 S166 V202V158-A162 PolarHBondContact O-N 3.38Å; E159-A162 WeakPolarHBondContact O-CB 3.44Å; E159-A162 PolarHBondContact O-N 3.33Å; A160-A162 VanDerWaalsContact C-N 3.31Å; A160-A162 PolarHBondContact O-N 3.12Å; A162-S166 WeakPolarHBondContact O-CB 3.47Å; A162-S166 PolarHBondContact O-N 3.35Å; A162-S166 VanDerWaalsContact O-N 3.14Å; A162-S166 PolarHBondContact O-OG 3.46Å; A162-V202 HydrophobicContact CB-CG1 4.11Å
163H96.8Very high96.2Very high11 Ų1146.8 Ų46.85%0.05127%0.265CS..Hα-helixtrans-63.4-51176.8-79.3-70.1000113.1E159 A160 I161 S166 M167 V206E159-H163 PolarHBondContact O-CD2 3.09Å; E159-H163 VanDerWaalsContact O-CD2 3.28Å; E159-H163 PolarHBondContact O-N 3.31Å; A160-H163 PolarHBondContact O-N 3.37Å; I161-H163 PolarHBondContact O-N 3.45Å; H163-S166 PolarHBondContact O-OG 3.19Å; H163-S166 VanDerWaalsContact O-OG 3.06Å; H163-M167 VanDerWaalsContact O-CB 3.32Å; H163-M167 WeakPolarHBondContact O-CB 3.29Å; H163-M167 PolarHBondContact O-N 3.44Å; H163-V206 WeakPolarHBondContact NE2-CB 3.43Å; H163-V206 VanDerWaalsContact NE2-CG1 3.3Å; H163-V206 WeakPolarHBondContact NE2-CG1 3.49Å
164T97.2Very high95.8Very high18 Ų1849.8 Ų49.811%0.1128%0.284CS..Hα-helixtrans-74.7-34.2-175.457.40000112.8L105 F106 A160 I161 M167 V168L105-T164 HydrophobicContact CB-CG2 4.24Å; L105-T164 HydrophobicContact CD2-CG2 4.02Å; L105-T164 HydrophobicContact CG-CG2 3.84Å; F106-T164 HydrophobicContact CB-CG2 3.63Å; F106-T164 HydrophobicContact CD2-CG2 4.29Å; F106-T164 HydrophobicContact CG-CG2 4.49Å; A160-T164 PolarHBondContact O-N 2.89Å; A160-T164 PolarHBondContact O-OG1 3.47Å; I161-T164 PolarHBondContact O-N 2.92Å; T164-M167 PolarHBondContact O-N 2.94Å; T164-V168 VanDerWaalsContact O-CG2 3.26Å; T164-V168 WeakPolarHBondContact O-CG2 3.33Å; T164-V168 PolarHBondContact O-N 3.2Å
165G95.6Very high95.4Very high30 Ų3047.8 Ų47.831%0.30928%0.281SS..Hα-helixtrans-63.4-45.8176.400000110.9I161 M167 H169I161-G165 VanDerWaalsContact O-CA 3.29Å; I161-G165 WeakPolarHBondContact O-CA 3.5Å; I161-G165 PolarHBondContact O-N 3.25Å; G165-M167 VanDerWaalsContact C-N 3.34Å; G165-M167 PolarHBondContact O-N 3.44Å; G165-H169 PolarHBondContact O-CD2 3.39Å
166S95.3Very high95.2Very high16 Ų1648.2 Ų48.211%0.11228%0.283CS..Hα-helixtrans-66.3-36.317570.10000112.3A162 H163 H169 N199A162-S166 WeakPolarHBondContact O-CB 3.47Å; A162-S166 PolarHBondContact O-N 3.35Å; A162-S166 VanDerWaalsContact O-N 3.14Å; A162-S166 PolarHBondContact O-OG 3.46Å; H163-S166 PolarHBondContact O-OG 3.19Å; H163-S166 VanDerWaalsContact O-OG 3.06Å; S166-H169 PolarHBondContact O-N 3.26Å; S166-N199 WeakPolarHBondContact CB-OD1 3.14Å; S166-N199 PolarHBondContact O-OD1 2.85Å; S166-N199 PolarHBondContact OG-OD1 3.14Å
167M95.7Very high95.1Very high2 Ų252.7 Ų52.71%0.0131%0.306CS..Hα-helixtrans-65.8-39179.4-167.766.471.200112.9M102 L105 H163 T164 G165 H169 L170 F172 I185 L188 L189 N199M102-M167 HydrophobicContact CE-CG 3.7Å; M102-M167 HydrophobicContact SD-CB 4.05Å; M102-M167 HydrophobicContact SD-CG 3.6Å; M102-M167 VanDerWaalsContact SD-CG 3.6Å; L105-M167 HydrophobicContact CD2-CB 4.16Å; L105-M167 HydrophobicContact CD2-CE 4.14Å; L105-M167 HydrophobicContact CD2-CG 3.96Å; H163-M167 VanDerWaalsContact O-CB 3.32Å; H163-M167 WeakPolarHBondContact O-CB 3.29Å; H163-M167 PolarHBondContact O-N 3.44Å; T164-M167 PolarHBondContact O-N 2.94Å; G165-M167 VanDerWaalsContact C-N 3.34Å; G165-M167 PolarHBondContact O-N 3.44Å; M167-H169 PolarHBondContact O-N 3.03Å; M167-L170 WeakPolarHBondContact O-CB 3.35Å; M167-L170 PolarHBondContact O-N 3.03Å; M167-L170 VanDerWaalsContact O-N 3.08Å; M167-L170 HydrophobicContact SD-CD1 3.68Å; M167-F172 HydrophobicContact CG-CZ 4.1Å; M167-F172 HydrophobicContact SD-CE1 4.24Å; M167-F172 HydrophobicContact SD-CZ 3.87Å; M167-I185 HydrophobicContact CE-CB 4.42Å; M167-I185 HydrophobicContact CE-CG2 3.91Å; M167-L188 HydrophobicContact CE-CB 3.92Å; M167-L188 HydrophobicContact CE-CD1 4.11Å; M167-L188 HydrophobicContact CG-CD1 4.24Å; M167-L188 HydrophobicContact SD-CB 3.79Å; M167-L188 HydrophobicContact SD-CD1 4.16Å; M167-L189 HydrophobicContact CE-CD2 4.03Å; M167-L189 HydrophobicContact CE-CG 4.33Å; M167-L189 HydrophobicContact SD-CD2 4.2Å; M167-N199 PolarHBondContact N-OD1 3.36Å
168V94Very high94.9Very high79 Ų7947.8 Ų47.848%0.47929%0.285SS..Hα-helixtrans-64.9-22.5178.7167.40000112.6M102 T164 L170M102-V168 HydrophobicContact CB-CG2 4.49Å; M102-V168 HydrophobicContact CG-CG2 3.97Å; M102-V168 HydrophobicContact SD-CG2 4.14Å; T164-V168 VanDerWaalsContact O-CG2 3.26Å; T164-V168 WeakPolarHBondContact O-CG2 3.33Å; T164-V168 PolarHBondContact O-N 3.2Å; V168-L170 VanDerWaalsContact C-N 3.28Å; V168-L170 PolarHBondContact O-N 3.47Å
169H92Very high94.7Very high157 Ų15746 Ų4673%0.72727%0.273SS*.THydrogen-bonded Turntrans-80.4-6.4176.1-70.8-60.2000113.9G165 S166 M167G165-H169 PolarHBondContact O-CD2 3.39Å; S166-H169 PolarHBondContact O-N 3.26Å; M167-H169 PolarHBondContact O-N 3.03Å
170L93.7Very high94.5Very high17 Ų1745.6 Ų45.69%0.08927%0.271CS..  trans-80.3144.1178-62.9-177.4000111.9M167 V168 F172 L189 T194 N199M167-L170 WeakPolarHBondContact O-CB 3.35Å; M167-L170 PolarHBondContact O-N 3.03Å; M167-L170 VanDerWaalsContact O-N 3.08Å; M167-L170 HydrophobicContact SD-CD1 3.68Å; V168-L170 VanDerWaalsContact C-N 3.28Å; V168-L170 PolarHBondContact O-N 3.47Å; L170-F172 HydrophobicContact CB-CE1 4.3Å; L170-F172 HydrophobicContact CB-CE2 4.4Å; L170-F172 HydrophobicContact CB-CZ 4.06Å; L170-F172 HydrophobicContact CD1-CE1 4.45Å; L170-L189 HydrophobicContact CD1-CD2 3.53Å; L170-T194 WeakPolarHBondContact CA-OG1 3.41Å; L170-T194 WeakPolarHBondContact CD2-OG1 3.31Å; L170-N199 VanDerWaalsContact CD2-ND2 3.35Å; L170-N199 WeakPolarHBondContact CD2-ND2 3.28Å
171T94.3Very high94.4Very high63 Ų6345.6 Ų45.639%0.38727%0.271SS..  trans-96.2108.1165.9-560000109.2C193 T194T171-C193 PolarHBondContact O-N 3Å; T171-T194 PolarHBondContact N-OG1 3.29Å
172F93.6Very high94.2Very high3 Ų341.9 Ų41.91%0.01325%0.251CS..BIsolated β-bridgetrans-77.7118.6171.2-55.5-72.6000109.4V14 F17 H98 M102 M167 L170 L188 L191V14-F172 HydrophobicContact CB-CB 4.1Å; V14-F172 HydrophobicContact CG2-CB 4.06Å; V14-F172 WeakPolarHBondContact CG2-O 3.5Å; F17-F172 HydrophobicContact CE1-CB 4.24Å; F17-F172 HydrophobicContact CE1-CD1 4.42Å; F17-F172 HydrophobicContact CE1-CD2 4.47Å; F17-F172 HydrophobicContact CE1-CG 4.11Å; F17-F172 HydrophobicContact CZ-CB 4.31Å; F17-F172 HydrophobicContact CZ-CD1 4.32Å; F17-F172 AromaticContact CZ-CD2 3.76Å; F17-F172 HydrophobicContact CZ-CD2 3.76Å; F17-F172 HydrophobicContact CZ-CE2 4.14Å; F17-F172 AromaticContact CZ-CG 3.85Å; F17-F172 HydrophobicContact CZ-CG 3.85Å; H98-F172 AromaticContact CD2-CE2 3.91Å; H98-F172 AromaticContact NE2-CE2 3.6Å; M102-F172 HydrophobicContact CE-CE2 3.91Å; M102-F172 HydrophobicContact CE-CZ 3.95Å; M167-F172 HydrophobicContact CG-CZ 4.1Å; M167-F172 HydrophobicContact SD-CE1 4.24Å; M167-F172 HydrophobicContact SD-CZ 3.87Å; L170-F172 HydrophobicContact CB-CE1 4.3Å; L170-F172 HydrophobicContact CB-CE2 4.4Å; L170-F172 HydrophobicContact CB-CZ 4.06Å; L170-F172 HydrophobicContact CD1-CE1 4.45Å; F172-L188 HydrophobicContact CE1-CB 4.27Å; F172-L188 HydrophobicContact CE1-CD2 4.25Å; F172-L188 WeakPolarHBondContact CE1-O 3.49Å; F172-L188 HydrophobicContact CZ-CD2 4.42Å; F172-L191 WeakPolarHBondContact CA-O 3.44Å; F172-L191 HydrophobicContact CD1-CB 3.97Å
173C91Very high94.1Very high78 Ų7840.1 Ų40.153%0.52724%0.237SC..  trans-142.7-10.6-178.3103.60000114.3G175 L191 C193C173-G175 PolarHBondContact O-N 3.1Å; C173-G175 VanDerWaalsContact O-N 3.07Å; C173-L191 PolarHBondContact N-O 2.87Å; C173-C193 VanDerWaalsContact C-SG 3.54Å; C173-C193 VanDerWaalsContact CA-SG 3.54Å; C173-C193 HydrophobicContact CB-CB 3.87Å; C173-C193 WeakPolarHBondContact CB-SG 3.16Å; C173-C193 WeakPolarHBondContact SG-CB 3.45Å; C173-C193 CovalentContact SG-SG 2Å; C173-C193 PolarHBondContact SG-SG 2.89Å
174D88.3Confident94Very high115 Ų11539.9 Ų39.962%0.61524%0.236SC*.SBendtrans-87.655177.1-162.824.8000111.5L191 C193D174-L191 PolarHBondContact N-O 3.42Å; D174-L191 VanDerWaalsContact O-CD2 3.29Å; D174-L191 WeakPolarHBondContact O-CD2 3.4Å; D174-C193 PolarHBondContact N-SG 2.94Å
175G90.7Very high93.8Very high43 Ų4339.3 Ų39.344%0.44323%0.232SC..  trans82.6-169.3-175.400000114.3V14 C173V14-G175 WeakPolarHBondContact CG2-O 3.12Å; C173-G175 PolarHBondContact O-N 3.1Å; C173-G175 VanDerWaalsContact O-N 3.07Å
176N94.5Very high93.5Very high58 Ų5840.5 Ų40.531%0.3123%0.231SC..SBendtrans-134.716.1-175.273.5-27.9000113.7V14 E16 F17 I18V14-N176 HydrophobicContact CG1-CB 3.6Å; V14-N176 HydrophobicContact CG2-CB 4.38Å; E16-N176 WeakPolarHBondContact O-CB 3.34Å; E16-N176 PolarHBondContact O-ND2 3Å; F17-N176 CarbonylContact C-O 3.47Å; F17-N176 VanDerWaalsContact CA-O 3.22Å; F17-N176 WeakPolarHBondContact CA-O 3.33Å; I18-N176 PolarHBondContact N-O 3.42Å
177I96Very high93.4Very high94 Ų9440.3 Ų40.348%0.48223%0.231SC..EExtended strand (participates in β ladder)trans-98.8121.1-179.9-59.7174.1000108.4I18 L20 L191I18-I177 HydrophobicContact CB-CG1 4.48Å; I18-I177 WeakPolarHBondContact O-CA 3.43Å; L20-I177 HydrophobicContact CD1-CG2 4.45Å; I177-L191 WeakPolarHBondContact O-CD2 3.35Å
178I95.1Very high93.4Very high0 Ų040.2 Ų40.20%023%0.23CC..EExtended strand (participates in β ladder)trans-98.1116.3172.7-63.2173.3000106.8F17 I18 L19 L20 H180 A187 L188 L191F17-I178 HydrophobicContact CB-CD1 3.6Å; F17-I178 HydrophobicContact CB-CG1 4.08Å; F17-I178 HydrophobicContact CD1-CD1 3.85Å; F17-I178 HydrophobicContact CD1-CG1 4Å; F17-I178 HydrophobicContact CD2-CD1 4.17Å; F17-I178 HydrophobicContact CG-CD1 3.62Å; F17-I178 HydrophobicContact CG-CG1 4.2Å; I18-I178 PolarHBondContact O-N 3.36Å; L19-I178 HydrophobicContact CD2-CB 3.94Å; L19-I178 HydrophobicContact CD2-CD1 3.96Å; L19-I178 HydrophobicContact CD2-CG2 3.97Å; L20-I178 WeakPolarHBondContact CB-O 3.28Å; L20-I178 PolarHBondContact N-O 3.3Å; I178-H180 HydrophobicContact CG2-CB 4Å; I178-H180 PolarHBondContact O-N 3.02Å; I178-A187 HydrophobicContact CG2-CB 3.73Å; I178-L188 HydrophobicContact CD1-CD2 3.56Å; I178-L188 HydrophobicContact CD1-CG 4.33Å; I178-L188 HydrophobicContact CG1-CD2 4.27Å; I178-L191 HydrophobicContact CG1-CD1 3.73Å
179D93.2Very high93.4Very high49 Ų4937.2 Ų37.226%0.26221%0.212SC..SBendtrans-76.461.4176.7-159.3-22.6000112L20 E271 K275L20-D179 HydrophobicContact CD2-CB 4.4Å; L20-D179 VanDerWaalsContact CD2-CG 3.5Å; L20-D179 WeakPolarHBondContact CD2-OD1 3.39Å; D179-E271 VanDerWaalsContact OD2-OE2 3.04Å; D179-K275 WeakPolarHBondContact O-CE 3.31Å; D179-K275 WeakPolarHBondContact OD1-CE 3.44Å; D179-K275 IonicContact OD1-NZ 2.85Å; D179-K275 PolarHBondContact OD1-NZ 3.04Å
180H95.1Very high93.4Very high6 Ų635.3 Ų35.33%0.02820%0.201CC..SBendtrans-161.5165.1178-154.3-78.9000110L20 G21 I178 M182 E184 A187L20-H180 PolarHBondContact N-O 3.49Å; G21-H180 PolarHBondContact N-O 3.43Å; G21-H180 VanDerWaalsContact N-O 3.11Å; I178-H180 HydrophobicContact CG2-CB 4Å; I178-H180 PolarHBondContact O-N 3.02Å; H180-M182 VanDerWaalsContact C-N 3.32Å; H180-M182 WeakPolarHBondContact CB-O 3.39Å; H180-M182 WeakPolarHBondContact ND1-CG 3.25Å; H180-M182 PolarHBondContact ND1-N 3.47Å; H180-E184 HydrophobicContact CB-CB 4.36Å; H180-A187 HydrophobicContact CB-CB 4.27Å
181Y94.3Very high93.4Very high0 Ų035.1 Ų35.10%020%0.2CC..SBendtrans-84.9-1174.360-99000114.7I82 M86 K275 T278 I279 T282 I283I82-Y181 HydrophobicContact CG2-CD2 4.06Å; I82-Y181 HydrophobicContact CG2-CE2 3.69Å; M86-Y181 HydrophobicContact CB-CD2 4.02Å; M86-Y181 HydrophobicContact CB-CG 4.38Å; M86-Y181 HydrophobicContact CG-CD2 4.09Å; M86-Y181 HydrophobicContact CG-CG 4.06Å; M86-Y181 HydrophobicContact SD-CD2 4.03Å; M86-Y181 HydrophobicContact SD-CE2 4.31Å; M86-Y181 HydrophobicContact SD-CG 4.14Å; Y181-K275 HydrophobicContact CD1-CB 4.45Å; Y181-K275 HydrophobicContact CD1-CG 4.45Å; Y181-K275 HydrophobicContact CE1-CB 4.21Å; Y181-T278 WeakPolarHBondContact OH-CB 3.41Å; Y181-T278 WeakPolarHBondContact OH-CG2 3.22Å; Y181-I279 HydrophobicContact CE1-CG1 4.11Å; Y181-I279 PolarHBondContact OH-N 3.1Å; Y181-T282 PolarHBondContact OH-OG1 3.48Å; Y181-I283 HydrophobicContact CE2-CD1 4.3Å
182M94.5Very high93.4Very high1 Ų133 Ų331%0.00519%0.188CC..SBendtrans-150168.618075.2-175-175.100109.4I82 F108 H180 E184 T278I82-M182 HydrophobicContact CD1-SD 3.96Å; I82-M182 HydrophobicContact CG1-SD 4.24Å; I82-M182 HydrophobicContact CG2-CB 4.33Å; I82-M182 HydrophobicContact CG2-SD 3.94Å; F108-M182 HydrophobicContact CD2-CE 3.97Å; F108-M182 HydrophobicContact CD2-SD 4.07Å; F108-M182 HydrophobicContact CE1-CE 4.29Å; F108-M182 HydrophobicContact CE2-CE 3.42Å; F108-M182 VanDerWaalsContact CE2-CE 3.42Å; F108-M182 HydrophobicContact CE2-SD 4.06Å; F108-M182 HydrophobicContact CZ-CE 3.62Å; H180-M182 VanDerWaalsContact C-N 3.32Å; H180-M182 WeakPolarHBondContact CB-O 3.39Å; H180-M182 WeakPolarHBondContact ND1-CG 3.25Å; H180-M182 PolarHBondContact ND1-N 3.47Å; M182-E184 HydrophobicContact CE-CB 4.11Å; M182-E184 HydrophobicContact CE-CG 3.93Å; M182-E184 HydrophobicContact CG-CB 4.33Å; M182-E184 PolarHBondContact O-N 3.01Å; M182-T278 HydrophobicContact CE-CG2 3.45Å; M182-T278 VanDerWaalsContact CE-CG2 3.45Å; M182-T278 HydrophobicContact SD-CG2 4.29Å
183C95.8Very high93.4Very high2 Ų236.2 Ų36.21%0.01421%0.21CC..  trans-73.573.4174-71.90000111.9C101 L105 L188C101-C183 WeakPolarHBondContact CA-SG 3.22Å; C101-C183 HydrophobicContact CB-CB 4.12Å; C101-C183 WeakPolarHBondContact CB-SG 3.43Å; C101-C183 WeakPolarHBondContact SG-CB 3.47Å; C101-C183 CovalentContact SG-SG 2.02Å; C101-C183 PolarHBondContact SG-SG 3.41Å; L105-C183 WeakPolarHBondContact CD1-O 3.44Å; C183-L188 HydrophobicContact CB-CD1 4.2Å
184E93.3Very high93.6Very high7 Ų735 Ų353%0.03320%0.2CC..  trans-78.9145.2179.1-161.6-70.2127.100110.7H180 M182 N186 A187 L188 M262H180-E184 HydrophobicContact CB-CB 4.36Å; M182-E184 HydrophobicContact CE-CB 4.11Å; M182-E184 HydrophobicContact CE-CG 3.93Å; M182-E184 HydrophobicContact CG-CB 4.33Å; M182-E184 PolarHBondContact O-N 3.01Å; E184-N186 VanDerWaalsContact CD-N 3.33Å; E184-N186 PolarHBondContact OE1-N 2.81Å; E184-N186 VanDerWaalsContact OE2-CA 3.32Å; E184-N186 WeakPolarHBondContact OE2-CA 3.42Å; E184-N186 VanDerWaalsContact OE2-CB 3.25Å; E184-N186 WeakPolarHBondContact OE2-CB 3.37Å; E184-N186 PolarHBondContact OE2-N 2.84Å; E184-A187 HydrophobicContact CB-CB 4.22Å; E184-A187 PolarHBondContact O-N 2.78Å; E184-A187 PolarHBondContact OE2-N 2.86Å; E184-L188 WeakPolarHBondContact O-CB 3.25Å; E184-L188 WeakPolarHBondContact O-CG 3.4Å; E184-L188 PolarHBondContact O-N 3.39Å; E184-M262 HydrophobicContact CG-CE 4.18Å; E184-M262 WeakPolarHBondContact OE1-CE 2.96Å
185I93.2Very high93.9Very high6 Ų633.8 Ų33.83%0.03120%0.2CC..Hα-helixtrans-61.7-55.4-171.8-63.7168.1000111.2L105 M167 A187 L188 L189 V203L105-I185 HydrophobicContact CD1-CD1 4.25Å; L105-I185 HydrophobicContact CD1-CG1 3.51Å; M167-I185 HydrophobicContact CE-CB 4.42Å; M167-I185 HydrophobicContact CE-CG2 3.91Å; I185-A187 VanDerWaalsContact C-N 3.29Å; I185-A187 PolarHBondContact O-N 3.21Å; I185-L188 PolarHBondContact O-N 2.86Å; I185-L188 VanDerWaalsContact O-N 3.17Å; I185-L189 HydrophobicContact CG2-CD1 4.1Å; I185-L189 HydrophobicContact CG2-CG 4.32Å; I185-L189 VanDerWaalsContact O-CG 3.31Å; I185-L189 WeakPolarHBondContact O-CG 3.33Å; I185-L189 PolarHBondContact O-N 3.39Å; I185-V203 HydrophobicContact CG2-CG2 3.65Å
186N90.8Very high94.1Very high54 Ų5433 Ų3329%0.28919%0.188SC..Hα-helixtrans-63.1-38.7-177.4-61.5-27.2000111.2E184 L189 K190E184-N186 VanDerWaalsContact CD-N 3.33Å; E184-N186 PolarHBondContact OE1-N 2.81Å; E184-N186 VanDerWaalsContact OE2-CA 3.32Å; E184-N186 WeakPolarHBondContact OE2-CA 3.42Å; E184-N186 VanDerWaalsContact OE2-CB 3.25Å; E184-N186 WeakPolarHBondContact OE2-CB 3.37Å; E184-N186 PolarHBondContact OE2-N 2.84Å; N186-L189 PolarHBondContact O-N 3.34Å; N186-K190 PolarHBondContact O-N 2.93Å
187A92.7Very high94.2Very high12 Ų1233.6 Ų33.610%0.09920%0.196CC..Hα-helixtrans-63-39.8175.400000112.4I178 H180 E184 I185I178-A187 HydrophobicContact CG2-CB 3.73Å; H180-A187 HydrophobicContact CB-CB 4.27Å; E184-A187 HydrophobicContact CB-CB 4.22Å; E184-A187 PolarHBondContact O-N 2.78Å; E184-A187 PolarHBondContact OE2-N 2.86Å; I185-A187 VanDerWaalsContact C-N 3.29Å; I185-A187 PolarHBondContact O-N 3.21Å
188L94.6Very high94.1Very high0 Ų035 Ų350%020%0.203CC..Hα-helixtrans-67.6-41.4174.6-77168.9000112.5F17 M102 L105 M167 F172 I178 C183 E184 I185 K190 L191F17-L188 HydrophobicContact CE1-CD2 4.4Å; F17-L188 HydrophobicContact CE2-CD2 4.41Å; F17-L188 HydrophobicContact CZ-CD2 4.18Å; M102-L188 HydrophobicContact CE-CD1 4.33Å; L105-L188 HydrophobicContact CD2-CD1 4.07Å; M167-L188 HydrophobicContact CE-CB 3.92Å; M167-L188 HydrophobicContact CE-CD1 4.11Å; M167-L188 HydrophobicContact CG-CD1 4.24Å; M167-L188 HydrophobicContact SD-CB 3.79Å; M167-L188 HydrophobicContact SD-CD1 4.16Å; F172-L188 HydrophobicContact CE1-CB 4.27Å; F172-L188 HydrophobicContact CE1-CD2 4.25Å; F172-L188 WeakPolarHBondContact CE1-O 3.49Å; F172-L188 HydrophobicContact CZ-CD2 4.42Å; I178-L188 HydrophobicContact CD1-CD2 3.56Å; I178-L188 HydrophobicContact CD1-CG 4.33Å; I178-L188 HydrophobicContact CG1-CD2 4.27Å; C183-L188 HydrophobicContact CB-CD1 4.2Å; E184-L188 WeakPolarHBondContact O-CB 3.25Å; E184-L188 WeakPolarHBondContact O-CG 3.4Å; E184-L188 PolarHBondContact O-N 3.39Å; I185-L188 PolarHBondContact O-N 2.86Å; I185-L188 VanDerWaalsContact O-N 3.17Å; L188-K190 PolarHBondContact O-N 3.5Å; L188-L191 PolarHBondContact O-N 3.26Å
189L93.9Very high94.2Very high17 Ų1735.2 Ų35.29%0.08920%0.204CC..Hα-helixtrans-60.5-33.5-179.1-68.7-178.8000112.5M167 L170 I185 N186 L191 S192 T196 N199 E200M167-L189 HydrophobicContact CE-CD2 4.03Å; M167-L189 HydrophobicContact CE-CG 4.33Å; M167-L189 HydrophobicContact SD-CD2 4.2Å; L170-L189 HydrophobicContact CD1-CD2 3.53Å; I185-L189 HydrophobicContact CG2-CD1 4.1Å; I185-L189 HydrophobicContact CG2-CG 4.32Å; I185-L189 VanDerWaalsContact O-CG 3.31Å; I185-L189 WeakPolarHBondContact O-CG 3.33Å; I185-L189 PolarHBondContact O-N 3.39Å; N186-L189 PolarHBondContact O-N 3.34Å; L189-L191 PolarHBondContact O-N 2.97Å; L189-S192 WeakPolarHBondContact O-CB 3.02Å; L189-S192 PolarHBondContact O-N 2.85Å; L189-T196 HydrophobicContact CB-CG2 4.1Å; L189-T196 HydrophobicContact CD2-CG2 3.92Å; L189-N199 HydrophobicContact CD1-CB 4.23Å; L189-N199 HydrophobicContact CD2-CB 3.51Å; L189-E200 HydrophobicContact CD1-CG 4.32Å
190K92.8Very high94.2Very high116 Ų11637.6 Ų37.650%0.50421%0.214SC..THydrogen-bonded Turntrans-60.5-27175.7-71.7173.3178.6174.20113.5N186 L188 E271N186-K190 PolarHBondContact O-N 2.93Å; L188-K190 PolarHBondContact O-N 3.5Å; K190-E271 IonicContact NZ-OE1 2.66Å; K190-E271 PolarHBondContact NZ-OE1 2.89Å
191L94Very high94.2Very high14 Ų1442.1 Ų42.17%0.07324%0.238CC..THydrogen-bonded Turntrans-86.8-7.5-178.4-58.9179000113.5F17 F172 C173 D174 I177 I178 L188 L189F17-L191 HydrophobicContact CD1-CD1 4.01Å; F17-L191 HydrophobicContact CE1-CD1 3.96Å; F172-L191 WeakPolarHBondContact CA-O 3.44Å; F172-L191 HydrophobicContact CD1-CB 3.97Å; C173-L191 PolarHBondContact N-O 2.87Å; D174-L191 PolarHBondContact N-O 3.42Å; D174-L191 VanDerWaalsContact O-CD2 3.29Å; D174-L191 WeakPolarHBondContact O-CD2 3.4Å; I177-L191 WeakPolarHBondContact O-CD2 3.35Å; I178-L191 HydrophobicContact CG1-CD1 3.73Å; L188-L191 PolarHBondContact O-N 3.26Å; L189-L191 PolarHBondContact O-N 2.97Å
192S94.8Very high94.3Very high19 Ų1943.4 Ų43.413%0.13325%0.246CC..BIsolated β-bridgetrans-79.1132-175.5175.70000111.9L189 T194L189-S192 WeakPolarHBondContact O-CB 3.02Å; L189-S192 PolarHBondContact O-N 2.85Å; S192-T194 PolarHBondContact OG-N 2.91Å; S192-T194 PolarHBondContact OG-O 3.39Å; S192-T194 PolarHBondContact OG-OG1 2.88Å
193C94Very high94.2Very high70 Ų7044.2 Ų44.247%0.47325%0.25SS..SBendtrans-96.9-9.3170.1-61.20000112.9T171 C173 D174T171-C193 PolarHBondContact O-N 3Å; C173-C193 VanDerWaalsContact C-SG 3.54Å; C173-C193 VanDerWaalsContact CA-SG 3.54Å; C173-C193 HydrophobicContact CB-CB 3.87Å; C173-C193 WeakPolarHBondContact CB-SG 3.16Å; C173-C193 WeakPolarHBondContact SG-CB 3.45Å; C173-C193 CovalentContact SG-SG 2Å; C173-C193 PolarHBondContact SG-SG 2.89Å; D174-C193 PolarHBondContact N-SG 2.94Å
194T93.8Very high94Very high51 Ų5151.5 Ų51.531%0.31328%0.282SS..SBendtrans-86.2154.5167.440.90000110.6L170 T171 S192 T196L170-T194 WeakPolarHBondContact CA-OG1 3.41Å; L170-T194 WeakPolarHBondContact CD2-OG1 3.31Å; T171-T194 PolarHBondContact N-OG1 3.29Å; S192-T194 PolarHBondContact OG-N 2.91Å; S192-T194 PolarHBondContact OG-O 3.39Å; S192-T194 PolarHBondContact OG-OG1 2.88Å; T194-T196 PolarHBondContact O-N 3.24Å
195S95Very high94Very high90 Ų9056 Ų5663%0.62931%0.305SS*.  trans-56.1127.5176.5173.40000111.6S197S195-S197 PolarHBondContact OG-N 3.03Å; S195-S197 PolarHBondContact OG-OG 3.37Å
196T95.4Very high94Very high28 Ų2856.4 Ų56.417%0.17231%0.308CS..  trans-88.1-3.6179.649.70000113.2L189 T194 I198 N199 E200L189-T196 HydrophobicContact CB-CG2 4.1Å; L189-T196 HydrophobicContact CD2-CG2 3.92Å; T194-T196 PolarHBondContact O-N 3.24Å; T196-I198 VanDerWaalsContact C-N 3.29Å; T196-I198 PolarHBondContact O-N 3.11Å; T196-I198 VanDerWaalsContact O-N 3.14Å; T196-N199 WeakPolarHBondContact O-CA 3.45Å; T196-N199 WeakPolarHBondContact O-CB 3.03Å; T196-N199 PolarHBondContact O-N 3.12Å; T196-E200 WeakPolarHBondContact CB-OE1 3.44Å; T196-E200 PolarHBondContact O-N 3.37Å; T196-E200 PolarHBondContact OG1-OE1 3.41Å
197S95.7Very high94Very high70 Ų7055.3 Ų55.349%0.4930%0.303SS..Hα-helixtrans-59.1-34.2-169.1-54.10000114.4S195 L201S195-S197 PolarHBondContact OG-N 3.03Å; S195-S197 PolarHBondContact OG-OG 3.37Å; S197-L201 WeakPolarHBondContact O-CB 3.28Å; S197-L201 PolarHBondContact O-N 3.2Å
198I95.2Very high93.9Very high122 Ų12256.2 Ų56.263%0.62631%0.314SS*.Hα-helixtrans-66.6-43174.2-64175.2000110.4T196 L201 V202T196-I198 VanDerWaalsContact C-N 3.29Å; T196-I198 PolarHBondContact O-N 3.11Å; T196-I198 VanDerWaalsContact O-N 3.14Å; I198-L201 PolarHBondContact O-N 3.16Å; I198-V202 VanDerWaalsContact O-CG2 3.3Å; I198-V202 WeakPolarHBondContact O-CG2 3.32Å; I198-V202 PolarHBondContact O-N 3.05Å
199N95.5Very high93.8Very high5 Ų560.3 Ų60.33%0.02733%0.332CS..Hα-helixtrans-67-43.5179.9-64.3-87.7000111.1S166 M167 L170 L189 T196 L201 V202 V203S166-N199 WeakPolarHBondContact CB-OD1 3.14Å; S166-N199 PolarHBondContact O-OD1 2.85Å; S166-N199 PolarHBondContact OG-OD1 3.14Å; M167-N199 PolarHBondContact N-OD1 3.36Å; L170-N199 VanDerWaalsContact CD2-ND2 3.35Å; L170-N199 WeakPolarHBondContact CD2-ND2 3.28Å; L189-N199 HydrophobicContact CD1-CB 4.23Å; L189-N199 HydrophobicContact CD2-CB 3.51Å; T196-N199 WeakPolarHBondContact O-CA 3.45Å; T196-N199 WeakPolarHBondContact O-CB 3.03Å; T196-N199 PolarHBondContact O-N 3.12Å; N199-L201 VanDerWaalsContact C-N 3.29Å; N199-L201 PolarHBondContact O-N 3.35Å; N199-V202 PolarHBondContact O-N 3.43Å; N199-V203 VanDerWaalsContact O-CG2 3.28Å; N199-V203 WeakPolarHBondContact O-CG2 3.35Å; N199-V203 PolarHBondContact O-N 2.89Å
200E94.5Very high93.7Very high100 Ų10060.3 Ų60.347%0.46733%0.332SS..Hα-helixtrans-59.6-41.2174.6-70165.6-168.700111.4L189 T196 V203 F204L189-E200 HydrophobicContact CD1-CG 4.32Å; T196-E200 WeakPolarHBondContact CB-OE1 3.44Å; T196-E200 PolarHBondContact O-N 3.37Å; T196-E200 PolarHBondContact OG1-OE1 3.41Å; E200-V203 PolarHBondContact O-N 2.82Å; E200-F204 WeakPolarHBondContact O-CB 3.37Å; E200-F204 PolarHBondContact O-N 3.47Å
201L95.3Very high93.6Very high100 Ų10056.8 Ų56.852%0.52432%0.32SS..Hα-helixtrans-64.9-42.9174.7-179.762000112.1S197 I198 N199 F204 I205S197-L201 WeakPolarHBondContact O-CB 3.28Å; S197-L201 PolarHBondContact O-N 3.2Å; I198-L201 PolarHBondContact O-N 3.16Å; N199-L201 VanDerWaalsContact C-N 3.29Å; N199-L201 PolarHBondContact O-N 3.35Å; L201-F204 PolarHBondContact O-N 3.48Å; L201-I205 HydrophobicContact CD1-CD1 3.93Å; L201-I205 HydrophobicContact CD1-CG1 4.24Å; L201-I205 HydrophobicContact CG-CD1 3.95Å; L201-I205 VanDerWaalsContact O-CG1 3.32Å; L201-I205 WeakPolarHBondContact O-CG1 3.47Å; L201-I205 PolarHBondContact O-N 3.22Å
202V95.6Very high93.5Very high28 Ų2859.4 Ų59.417%0.1734%0.336CS..Hα-helixtrans-59.8-48174.91700000110.2A162 I198 N199 F204 I205 V206A162-V202 HydrophobicContact CB-CG1 4.11Å; I198-V202 VanDerWaalsContact O-CG2 3.3Å; I198-V202 WeakPolarHBondContact O-CG2 3.32Å; I198-V202 PolarHBondContact O-N 3.05Å; N199-V202 PolarHBondContact O-N 3.43Å; V202-F204 PolarHBondContact O-N 2.99Å; V202-I205 PolarHBondContact O-N 3.44Å; V202-V206 HydrophobicContact CG1-CG2 4.17Å; V202-V206 WeakPolarHBondContact O-CB 3.5Å; V202-V206 VanDerWaalsContact O-CG2 3.29Å; V202-V206 WeakPolarHBondContact O-CG2 3.39Å; V202-V206 PolarHBondContact O-N 3.37Å
203V92.4Very high93.5Very high17 Ų1762.5 Ų62.510%0.10335%0.35CS..Hα-helixtrans-57.6-49176.2172.10000111.2I185 N199 E200 I205 V206 V207I185-V203 HydrophobicContact CG2-CG2 3.65Å; N199-V203 VanDerWaalsContact O-CG2 3.28Å; N199-V203 WeakPolarHBondContact O-CG2 3.35Å; N199-V203 PolarHBondContact O-N 2.89Å; E200-V203 PolarHBondContact O-N 2.82Å; V203-I205 PolarHBondContact O-N 2.98Å; V203-V206 PolarHBondContact O-N 3.48Å; V203-V207 HydrophobicContact CG1-CG2 3.96Å; V203-V207 WeakPolarHBondContact O-CB 3.18Å; V203-V207 VanDerWaalsContact O-CG2 3.27Å; V203-V207 WeakPolarHBondContact O-CG2 3.3Å; V203-V207 PolarHBondContact O-N 3.25Å
204F91.7Very high93.6Very high155 Ų15559.1 Ų59.168%0.6833%0.327SS*.Hα-helixtrans-58.5-46.2179.7178.9-99.9000112.4E200 L201 V202 G208E200-F204 WeakPolarHBondContact O-CB 3.37Å; E200-F204 PolarHBondContact O-N 3.47Å; L201-F204 PolarHBondContact O-N 3.48Å; V202-F204 PolarHBondContact O-N 2.99Å; F204-G208 WeakPolarHBondContact O-CA 3.45Å; F204-G208 PolarHBondContact O-N 2.89Å
205I93.9Very high93.5Very high102 Ų10259.9 Ų59.952%0.52333%0.332SS..Hα-helixtrans-66.3-51.2179.7-67.8169.1000110.8L201 V202 V203 F209L201-I205 HydrophobicContact CD1-CD1 3.93Å; L201-I205 HydrophobicContact CD1-CG1 4.24Å; L201-I205 HydrophobicContact CG-CD1 3.95Å; L201-I205 VanDerWaalsContact O-CG1 3.32Å; L201-I205 WeakPolarHBondContact O-CG1 3.47Å; L201-I205 PolarHBondContact O-N 3.22Å; V202-I205 PolarHBondContact O-N 3.44Å; V203-I205 PolarHBondContact O-N 2.98Å; I205-F209 VanDerWaalsContact O-CB 3.31Å; I205-F209 WeakPolarHBondContact O-CB 3.44Å; I205-F209 PolarHBondContact O-N 3.15Å
206V92.6Very high93.6Very high14 Ų1459.7 Ų59.79%0.08532%0.323CS..Hα-helixtrans-66.2-51.5-175.1174.70000110.5I113 E159 H163 V202 V203 G208 F209 N210I113-V206 HydrophobicContact CD1-CG1 4.38Å; E159-V206 HydrophobicContact CB-CG1 4.11Å; E159-V206 HydrophobicContact CB-CG2 4.48Å; E159-V206 HydrophobicContact CG-CG1 4.19Å; E159-V206 HydrophobicContact CG-CG2 4.31Å; H163-V206 WeakPolarHBondContact NE2-CB 3.43Å; H163-V206 VanDerWaalsContact NE2-CG1 3.3Å; H163-V206 WeakPolarHBondContact NE2-CG1 3.49Å; V202-V206 HydrophobicContact CG1-CG2 4.17Å; V202-V206 WeakPolarHBondContact O-CB 3.5Å; V202-V206 VanDerWaalsContact O-CG2 3.29Å; V202-V206 WeakPolarHBondContact O-CG2 3.39Å; V202-V206 PolarHBondContact O-N 3.37Å; V203-V206 PolarHBondContact O-N 3.48Å; V206-G208 PolarHBondContact O-N 3.09Å; V206-F209 PolarHBondContact O-N 3.12Å; V206-N210 WeakPolarHBondContact CG1-ND2 3.42Å; V206-N210 VanDerWaalsContact O-CB 3.31Å; V206-N210 WeakPolarHBondContact O-CB 3.46Å; V206-N210 PolarHBondContact O-N 2.93Å; V206-N210 PolarHBondContact O-ND2 3.28Å
207V90Very high93.6Very high31 Ų3161 Ų6119%0.18833%0.331CS..Hα-helixtrans-62.3-44.7178.3175.90000110.4V203 F209 N210 V211 Y263V203-V207 HydrophobicContact CG1-CG2 3.96Å; V203-V207 WeakPolarHBondContact O-CB 3.18Å; V203-V207 VanDerWaalsContact O-CG2 3.27Å; V203-V207 WeakPolarHBondContact O-CG2 3.3Å; V203-V207 PolarHBondContact O-N 3.25Å; V207-F209 VanDerWaalsContact C-N 3.34Å; V207-F209 PolarHBondContact O-N 3.09Å; V207-N210 PolarHBondContact O-N 3.49Å; V207-V211 HydrophobicContact CG1-CG2 4.04Å; V207-V211 WeakPolarHBondContact O-CB 3.27Å; V207-V211 VanDerWaalsContact O-CG2 3.28Å; V207-V211 WeakPolarHBondContact O-CG2 3.28Å; V207-V211 PolarHBondContact O-N 2.95Å; V207-Y263 HydrophobicContact CG1-CD2 4.4Å; V207-Y263 HydrophobicContact CG1-CG 4.15Å; V207-Y263 HydrophobicContact CG2-CD1 4.45Å; V207-Y263 HydrophobicContact CG2-CE1 4.41Å
208G91Very high93.7Very high31 Ų3158.2 Ų58.232%0.3231%0.311SS..Hα-helixtrans-58.3-43.9178.600000112.9F204 V206 T212F204-G208 WeakPolarHBondContact O-CA 3.45Å; F204-G208 PolarHBondContact O-N 2.89Å; V206-G208 PolarHBondContact O-N 3.09Å; G208-T212 WeakPolarHBondContact O-CB 3.31Å; G208-T212 PolarHBondContact O-N 3.24Å; G208-T212 PolarHBondContact O-OG1 2.98Å
209F92.9Very high93.7Very high87 Ų8759.2 Ų59.238%0.38231%0.311SS..Hα-helixtrans-67.3-46.9177.2-174.6-106.2000112.3Y117 L155 I205 V206 V207 V211 T212 M213Y117-F209 WeakPolarHBondContact OH-CD1 3.4Å; Y117-F209 WeakPolarHBondContact OH-CE1 3.49Å; L155-F209 HydrophobicContact CD2-CE1 4.21Å; I205-F209 VanDerWaalsContact O-CB 3.31Å; I205-F209 WeakPolarHBondContact O-CB 3.44Å; I205-F209 PolarHBondContact O-N 3.15Å; V206-F209 PolarHBondContact O-N 3.12Å; V207-F209 VanDerWaalsContact C-N 3.34Å; V207-F209 PolarHBondContact O-N 3.09Å; F209-V211 VanDerWaalsContact C-N 3.31Å; F209-V211 PolarHBondContact O-N 3.01Å; F209-T212 PolarHBondContact O-N 3.38Å; F209-M213 HydrophobicContact CD2-CE 4.5Å; F209-M213 HydrophobicContact CD2-CG 3.72Å; F209-M213 HydrophobicContact CE2-CE 4.43Å; F209-M213 HydrophobicContact CE2-CG 3.48Å; F209-M213 VanDerWaalsContact CE2-CG 3.48Å; F209-M213 HydrophobicContact CE2-SD 4.43Å; F209-M213 HydrophobicContact CG-CG 4.38Å; F209-M213 HydrophobicContact CZ-CG 3.95Å; F209-M213 PolarHBondContact O-N 3.43Å
210N92.8Very high93.8Very high16 Ų1663.6 Ų63.69%0.08633%0.333CS..Hα-helixtrans-70.1-22.8-179.3-82.2-84.6000114C116 Y117 E159 V206 V207 P214C116-N210 PolarHBondContact SG-O 2.8Å; C116-N210 VanDerWaalsContact SG-O 3.37Å; Y117-N210 WeakPolarHBondContact CE2-OD1 3.35Å; E159-N210 VanDerWaalsContact CD-ND2 3.31Å; E159-N210 PolarHBondContact OE1-ND2 3.3Å; E159-N210 PolarHBondContact OE2-ND2 2.94Å; V206-N210 WeakPolarHBondContact CG1-ND2 3.42Å; V206-N210 VanDerWaalsContact O-CB 3.31Å; V206-N210 WeakPolarHBondContact O-CB 3.46Å; V206-N210 PolarHBondContact O-N 2.93Å; V206-N210 PolarHBondContact O-ND2 3.28Å; V207-N210 PolarHBondContact O-N 3.49Å; N210-P214 WeakPolarHBondContact O-CD 3.16Å; N210-P214 WeakPolarHBondContact O-CG 2.95Å
211V90Very high94Very high43 Ų4359.1 Ų59.126%0.26131%0.313SS..Hα-helixtrans-83.8-49.4171.1171.70000109.8V207 F209 T215V207-V211 HydrophobicContact CG1-CG2 4.04Å; V207-V211 WeakPolarHBondContact O-CB 3.27Å; V207-V211 VanDerWaalsContact O-CG2 3.28Å; V207-V211 WeakPolarHBondContact O-CG2 3.28Å; V207-V211 PolarHBondContact O-N 2.95Å; F209-V211 VanDerWaalsContact C-N 3.31Å; F209-V211 PolarHBondContact O-N 3.01Å; V211-T215 WeakPolarHBondContact O-CB 3.36Å; V211-T215 PolarHBondContact O-N 2.98Å; V211-T215 VanDerWaalsContact O-N 3.15Å; V211-T215 PolarHBondContact O-OG1 3.07Å
212T91.4Very high94Very high68 Ų6855.3 Ų55.342%0.41729%0.292SS..Hα-helixtrans-69.1-52.1-170.1-55.70000112.6G208 F209 T215 L216G208-T212 WeakPolarHBondContact O-CB 3.31Å; G208-T212 PolarHBondContact O-N 3.24Å; G208-T212 PolarHBondContact O-OG1 2.98Å; F209-T212 PolarHBondContact O-N 3.38Å; T212-T215 PolarHBondContact O-N 3.37Å; T212-L216 HydrophobicContact CG2-CD1 3.77Å; T212-L216 HydrophobicContact CG2-CG 4.31Å; T212-L216 WeakPolarHBondContact O-CB 3.23Å; T212-L216 VanDerWaalsContact O-CG 3.29Å; T212-L216 WeakPolarHBondContact O-CG 3.37Å; T212-L216 PolarHBondContact O-N 2.95Å
213M94.4Very high94.1Very high84 Ų8457.2 Ų57.241%0.41430%0.304SS..Hα-helixtrans-66.2-48.3-172.5-65.1-62.7145.800112.5F209 T217F209-M213 HydrophobicContact CD2-CE 4.5Å; F209-M213 HydrophobicContact CD2-CG 3.72Å; F209-M213 HydrophobicContact CE2-CE 4.43Å; F209-M213 HydrophobicContact CE2-CG 3.48Å; F209-M213 VanDerWaalsContact CE2-CG 3.48Å; F209-M213 HydrophobicContact CE2-SD 4.43Å; F209-M213 HydrophobicContact CG-CG 4.38Å; F209-M213 HydrophobicContact CZ-CG 3.95Å; F209-M213 PolarHBondContact O-N 3.43Å; M213-T217 WeakPolarHBondContact O-CB 3.43Å; M213-T217 PolarHBondContact O-N 3.13Å; M213-T217 PolarHBondContact O-OG1 3.05Å
214P95.7Very high94.3Very high0 Ų059.5 Ų59.50%032%0.315CS..Hα-helixtrans-57.7-48171.6-3546.1000113.8C116 Y117 T120 N210 L216 T217 I218 F256C116-P214 WeakPolarHBondContact SG-CG 3.45Å; Y117-P214 HydrophobicContact CD1-CG 4.23Å; Y117-P214 HydrophobicContact CE1-CG 3.84Å; T120-P214 VanDerWaalsContact OG1-CB 3.25Å; T120-P214 WeakPolarHBondContact OG1-CB 3.13Å; N210-P214 WeakPolarHBondContact O-CD 3.16Å; N210-P214 WeakPolarHBondContact O-CG 2.95Å; P214-L216 PolarHBondContact O-N 2.87Å; P214-T217 PolarHBondContact O-N 3.43Å; P214-I218 WeakPolarHBondContact O-CB 3.13Å; P214-I218 VanDerWaalsContact O-CG1 3.25Å; P214-I218 WeakPolarHBondContact O-CG1 3.17Å; P214-I218 PolarHBondContact O-N 3.25Å; P214-F256 HydrophobicContact CB-CE1 3.7Å; P214-F256 HydrophobicContact CB-CZ 3.45Å; P214-F256 VanDerWaalsContact CB-CZ 3.45Å; P214-F256 HydrophobicContact CG-CZ 4.39Å
215T93.3Very high94.4Very high67 Ų6752.2 Ų52.241%0.41128%0.283SS..Hα-helixtrans-60.1-46.6-178.5-61.70000111.5V211 T212 T217 I218 F219V211-T215 WeakPolarHBondContact O-CB 3.36Å; V211-T215 PolarHBondContact O-N 2.98Å; V211-T215 VanDerWaalsContact O-N 3.15Å; V211-T215 PolarHBondContact O-OG1 3.07Å; T212-T215 PolarHBondContact O-N 3.37Å; T215-T217 PolarHBondContact O-N 3.15Å; T215-I218 PolarHBondContact O-N 3.35Å; T215-F219 WeakPolarHBondContact O-CB 3.02Å; T215-F219 PolarHBondContact O-N 3.43Å
216L95.3Very high94.4Very high86 Ų8652.3 Ų52.345%0.4528%0.284SS..Hα-helixtrans-61.5-45.1176.7-71.1174.9000111.6T212 P214 F219 I220T212-L216 HydrophobicContact CG2-CD1 3.77Å; T212-L216 HydrophobicContact CG2-CG 4.31Å; T212-L216 WeakPolarHBondContact O-CB 3.23Å; T212-L216 VanDerWaalsContact O-CG 3.29Å; T212-L216 WeakPolarHBondContact O-CG 3.37Å; T212-L216 PolarHBondContact O-N 2.95Å; P214-L216 PolarHBondContact O-N 2.87Å; L216-F219 PolarHBondContact O-N 3.38Å; L216-I220 WeakPolarHBondContact O-CB 3.11Å; L216-I220 WeakPolarHBondContact O-CD1 3.2Å; L216-I220 WeakPolarHBondContact O-CG1 3.47Å; L216-I220 PolarHBondContact O-N 3.41Å
217T96.9Very high94.4Very high54 Ų5455.2 Ų55.233%0.33131%0.305SS..Hα-helixtrans-64.3-44.7-178.7-580000111.8T120 M213 P214 T215 S221T120-T217 HydrophobicContact CG2-CG2 3.54Å; M213-T217 WeakPolarHBondContact O-CB 3.43Å; M213-T217 PolarHBondContact O-N 3.13Å; M213-T217 PolarHBondContact O-OG1 3.05Å; P214-T217 PolarHBondContact O-N 3.43Å; T215-T217 PolarHBondContact O-N 3.15Å; T217-S221 VanDerWaalsContact O-CB 3.26Å; T217-S221 WeakPolarHBondContact O-CB 2.95Å; T217-S221 PolarHBondContact O-N 2.98Å; T217-S221 PolarHBondContact O-OG 3.06Å
218I96.5Very high94.5Very high13 Ų1356.5 Ų56.57%0.06731%0.311CS..Hα-helixtrans-63.3-49.4176.2-68.1167.9000109.6A123 P214 T215 I220 S221 Y222 V252 F256A123-I218 HydrophobicContact CB-CG1 3.93Å; P214-I218 WeakPolarHBondContact O-CB 3.13Å; P214-I218 VanDerWaalsContact O-CG1 3.25Å; P214-I218 WeakPolarHBondContact O-CG1 3.17Å; P214-I218 PolarHBondContact O-N 3.25Å; T215-I218 PolarHBondContact O-N 3.35Å; I218-I220 PolarHBondContact O-N 3.47Å; I218-S221 PolarHBondContact O-N 3.44Å; I218-Y222 HydrophobicContact CG2-CD2 3.9Å; I218-Y222 HydrophobicContact CG2-CE2 4.22Å; I218-Y222 WeakPolarHBondContact O-CB 3.11Å; I218-Y222 WeakPolarHBondContact O-CD2 3.35Å; I218-Y222 PolarHBondContact O-N 3.03Å; I218-V252 HydrophobicContact CD1-CG1 3.91Å; I218-V252 HydrophobicContact CD1-CG2 4.09Å; I218-V252 HydrophobicContact CG2-CG1 4.24Å; I218-F256 HydrophobicContact CD1-CD2 4.37Å; I218-F256 HydrophobicContact CD1-CE2 3.7Å; I218-F256 HydrophobicContact CD1-CZ 4.14Å
219F96Very high94.4Very high143 Ų14355.6 Ų55.663%0.62730%0.299SS*.Hα-helixtrans-58.9-47.2-179.1-178.2-99.9000112.4T215 L216 Y222 T223T215-F219 WeakPolarHBondContact O-CB 3.02Å; T215-F219 PolarHBondContact O-N 3.43Å; L216-F219 PolarHBondContact O-N 3.38Å; F219-Y222 PolarHBondContact O-N 3.19Å; F219-T223 WeakPolarHBondContact O-CB 3.49Å; F219-T223 PolarHBondContact O-N 3.31Å; F219-T223 PolarHBondContact O-OG1 3.31Å
220I97.7Very high94Very high96 Ų9658.1 Ų58.149%0.49231%0.311SS..Hα-helixtrans-62.3-48.4176.9-68.8165.7000110.4L216 I218 Y222 T223 L224L216-I220 WeakPolarHBondContact O-CB 3.11Å; L216-I220 WeakPolarHBondContact O-CD1 3.2Å; L216-I220 WeakPolarHBondContact O-CG1 3.47Å; L216-I220 PolarHBondContact O-N 3.41Å; I218-I220 PolarHBondContact O-N 3.47Å; I220-Y222 VanDerWaalsContact C-N 3.33Å; I220-Y222 PolarHBondContact O-N 3.26Å; I220-T223 PolarHBondContact O-N 3.46Å; I220-L224 HydrophobicContact CG2-CD1 3.97Å; I220-L224 VanDerWaalsContact O-CG 3.31Å; I220-L224 WeakPolarHBondContact O-CG 3.16Å; I220-L224 PolarHBondContact O-N 2.6Å
221S97.7Very high93.9Very high7 Ų760.5 Ų60.55%0.04933%0.329CS..Hα-helixtrans-57-46.8-179.6-62.60000111.4T217 I218 L224 I225T217-S221 VanDerWaalsContact O-CB 3.26Å; T217-S221 WeakPolarHBondContact O-CB 2.95Å; T217-S221 PolarHBondContact O-N 2.98Å; T217-S221 PolarHBondContact O-OG 3.06Å; I218-S221 PolarHBondContact O-N 3.44Å; S221-L224 PolarHBondContact O-N 3.04Å; S221-I225 WeakPolarHBondContact O-CD1 3.29Å; S221-I225 WeakPolarHBondContact O-CG1 3.13Å; S221-I225 PolarHBondContact O-N 3.43Å
222Y96.7Very high93.8Very high20 Ų2060 Ų608%0.07833%0.325CS..Hα-helixtrans-74.2-34.3-178.2-86.7-91.9000113.7A123 R126 I218 F219 I220 L224 I225 L226 C245 H248 I249A123-Y222 HydrophobicContact CB-CE2 4.07Å; R126-Y222 WeakPolarHBondContact CD-OH 3.38Å; I218-Y222 HydrophobicContact CG2-CD2 3.9Å; I218-Y222 HydrophobicContact CG2-CE2 4.22Å; I218-Y222 WeakPolarHBondContact O-CB 3.11Å; I218-Y222 WeakPolarHBondContact O-CD2 3.35Å; I218-Y222 PolarHBondContact O-N 3.03Å; F219-Y222 PolarHBondContact O-N 3.19Å; I220-Y222 VanDerWaalsContact C-N 3.33Å; I220-Y222 PolarHBondContact O-N 3.26Å; Y222-L224 VanDerWaalsContact C-N 3.28Å; Y222-L224 PolarHBondContact O-N 3.35Å; Y222-I225 HydrophobicContact CD1-CD1 4.46Å; Y222-I225 PolarHBondContact O-N 3.05Å; Y222-L226 WeakPolarHBondContact O-CB 3.45Å; Y222-L226 VanDerWaalsContact O-CG 3.27Å; Y222-L226 WeakPolarHBondContact O-CG 3.43Å; Y222-L226 PolarHBondContact O-N 3.33Å; Y222-C245 HydrophobicContact CE1-CB 3.71Å; Y222-C245 PolarHBondContact OH-O 3.43Å; Y222-H248 AromaticContact CE2-ND1 3.51Å; Y222-H248 AromaticContact CZ-ND1 3.5Å; Y222-H248 VanDerWaalsContact OH-CB 3.3Å; Y222-H248 WeakPolarHBondContact OH-CB 3.44Å; Y222-H248 PolarHBondContact OH-ND1 3.17Å; Y222-I249 HydrophobicContact CD1-CD1 3.65Å; Y222-I249 HydrophobicContact CD1-CG1 3.81Å; Y222-I249 HydrophobicContact CD2-CD1 3.92Å; Y222-I249 HydrophobicContact CE1-CD1 3.51Å; Y222-I249 HydrophobicContact CE1-CG1 3.33Å; Y222-I249 HydrophobicContact CE2-CD1 3.79Å; Y222-I249 HydrophobicContact CE2-CG1 4.38Å; Y222-I249 HydrophobicContact CG-CD1 3.84Å; Y222-I249 HydrophobicContact CG-CG1 4.5Å
223T96.4Very high93.7Very high68 Ų6865.3 Ų65.342%0.41734%0.344SS..Hα-helixtrans-59.8-43.2171.5-600000110.6F219 I220 L226 S227F219-T223 WeakPolarHBondContact O-CB 3.49Å; F219-T223 PolarHBondContact O-N 3.31Å; F219-T223 PolarHBondContact O-OG1 3.31Å; I220-T223 PolarHBondContact O-N 3.46Å; T223-L226 PolarHBondContact O-N 2.85Å; T223-S227 PolarHBondContact O-N 3.49Å; T223-S227 PolarHBondContact O-OG 2.77Å
224L96.4Very high93.7Very high65 Ų6564.4 Ų64.434%0.3435%0.346SS..Hα-helixtrans-69.9-35.4176.7-66.5174.6000113Y127 C131 I220 S221 Y222 S227 N228Y127-L224 HydrophobicContact CD2-CB 3.94Å; Y127-L224 HydrophobicContact CD2-CD1 4.1Å; Y127-L224 HydrophobicContact CE2-CB 3.96Å; Y127-L224 HydrophobicContact CE2-CD1 3.61Å; Y127-L224 HydrophobicContact CE2-CG 4.43Å; C131-L224 PolarHBondContact SG-O 2.54Å; C131-L224 VanDerWaalsContact SG-O 3.38Å; I220-L224 HydrophobicContact CG2-CD1 3.97Å; I220-L224 VanDerWaalsContact O-CG 3.31Å; I220-L224 WeakPolarHBondContact O-CG 3.16Å; I220-L224 PolarHBondContact O-N 2.6Å; S221-L224 PolarHBondContact O-N 3.04Å; Y222-L224 VanDerWaalsContact C-N 3.28Å; Y222-L224 PolarHBondContact O-N 3.35Å; L224-S227 WeakPolarHBondContact CA-OG 3.24Å; L224-S227 PolarHBondContact O-OG 2.84Å; L224-N228 WeakPolarHBondContact O-CB 3.25Å; L224-N228 PolarHBondContact O-N 3.42Å; L224-N228 VanDerWaalsContact O-N 3.11Å; L224-N228 PolarHBondContact O-ND2 3.41Å
225I95.6Very high93.4Very high2 Ų270.2 Ų70.21%0.0138%0.382CS..Hα-helixtrans-64-48.3174.1-71.8163000110.1R126 I130 S221 Y222 S227 N228 I229R126-I225 HydrophobicContact CB-CD1 4Å; I130-I225 HydrophobicContact CD1-CG1 4.36Å; I130-I225 HydrophobicContact CD1-CG2 3.81Å; I130-I225 HydrophobicContact CG2-CG2 4.39Å; S221-I225 WeakPolarHBondContact O-CD1 3.29Å; S221-I225 WeakPolarHBondContact O-CG1 3.13Å; S221-I225 PolarHBondContact O-N 3.43Å; Y222-I225 HydrophobicContact CD1-CD1 4.46Å; Y222-I225 PolarHBondContact O-N 3.05Å; I225-S227 VanDerWaalsContact C-N 3.34Å; I225-S227 PolarHBondContact O-N 2.91Å; I225-N228 CarbonylContact O-C 3.59Å; I225-N228 PolarHBondContact O-N 3.01Å; I225-I229 PolarHBondContact O-N 3.15Å
226L93.1Very high93.2Very high104 Ų10474.6 Ų74.655%0.54540%0.398SS..Hα-helixtrans-62.5-41.2-179.8-71.6172.3000111.6Y222 T223 N228 I229Y222-L226 WeakPolarHBondContact O-CB 3.45Å; Y222-L226 VanDerWaalsContact O-CG 3.27Å; Y222-L226 WeakPolarHBondContact O-CG 3.43Å; Y222-L226 PolarHBondContact O-N 3.33Å; T223-L226 PolarHBondContact O-N 2.85Å; L226-N228 VanDerWaalsContact C-N 3.31Å; L226-N228 PolarHBondContact O-N 2.65Å; L226-I229 WeakPolarHBondContact O-CG2 3.28Å; L226-I229 PolarHBondContact O-N 3.01Å
227S93Very high92.9Very high75 Ų7571.5 Ų71.552%0.52439%0.387SS..Hα-helixtrans-67.4-31.9177.168.20000112.9T223 L224 I225T223-S227 PolarHBondContact O-N 3.49Å; T223-S227 PolarHBondContact O-OG 2.77Å; L224-S227 WeakPolarHBondContact CA-OG 3.24Å; L224-S227 PolarHBondContact O-OG 2.84Å; I225-S227 VanDerWaalsContact C-N 3.34Å; I225-S227 PolarHBondContact O-N 2.91Å
228N91.7Very high92.6Very high57 Ų5773.2 Ų73.231%0.30539%0.388SS..Hα-helixtrans-90.1-9.9179.5-74.2-60.1000114.4C131 L224 I225 L226 H230 S231C131-N228 PolarHBondContact SG-ND2 2.98Å; C131-N228 VanDerWaalsContact SG-ND2 3.44Å; L224-N228 WeakPolarHBondContact O-CB 3.25Å; L224-N228 PolarHBondContact O-N 3.42Å; L224-N228 VanDerWaalsContact O-N 3.11Å; L224-N228 PolarHBondContact O-ND2 3.41Å; I225-N228 CarbonylContact O-C 3.59Å; I225-N228 PolarHBondContact O-N 3.01Å; L226-N228 VanDerWaalsContact C-N 3.31Å; L226-N228 PolarHBondContact O-N 2.65Å; N228-H230 PolarHBondContact O-N 2.9Å; N228-H230 VanDerWaalsContact O-N 3.1Å; N228-S231 VanDerWaalsContact O-CB 3.29Å; N228-S231 WeakPolarHBondContact O-CB 3.48Å; N228-S231 PolarHBondContact O-N 3.36Å; N228-S231 PolarHBondContact O-OG 2.87Å
229I88.5Confident92.3Very high13 Ų1376.4 Ų76.47%0.06741%0.411CS..G310 helixtrans-61.3-29.2-174.1-154.5152.8000112.9I225 L226 S231 I232 R238 A241 F242I225-I229 PolarHBondContact O-N 3.15Å; L226-I229 WeakPolarHBondContact O-CG2 3.28Å; L226-I229 PolarHBondContact O-N 3.01Å; I229-S231 PolarHBondContact O-N 2.85Å; I229-I232 HydrophobicContact CG1-CD1 4.31Å; I229-I232 PolarHBondContact O-N 3.46Å; I229-R238 PolarHBondContact O-NE 3.28Å; I229-A241 HydrophobicContact CD1-CB 4.31Å; I229-F242 HydrophobicContact CD1-CD1 4.02Å; I229-F242 HydrophobicContact CD1-CD2 3.98Å; I229-F242 HydrophobicContact CD1-CE1 3.64Å; I229-F242 HydrophobicContact CD1-CE2 3.59Å; I229-F242 HydrophobicContact CD1-CG 4.18Å; I229-F242 HydrophobicContact CD1-CZ 3.41Å; I229-F242 VanDerWaalsContact CD1-CZ 3.41Å; I229-F242 HydrophobicContact CG1-CE2 4.2Å; I229-F242 HydrophobicContact CG1-CZ 4.22Å
230H85.4Confident91.9Very high139 Ų13976.2 Ų76.264%0.64441%0.41SS*.G310 helixtrans-65.3-27.3175.9-69.2-71.9000112.9N228 I232 R238N228-H230 PolarHBondContact O-N 2.9Å; N228-H230 VanDerWaalsContact O-N 3.1Å; H230-I232 PolarHBondContact O-N 3.4Å; H230-R238 PolarHBondContact O-NH2 2.83Å
231S89.1Confident91.6Very high67 Ų6772 Ų7247%0.46939%0.389SS..G310 helixtrans-70-17177.374.30000113.6N228 I229 H233N228-S231 VanDerWaalsContact O-CB 3.29Å; N228-S231 WeakPolarHBondContact O-CB 3.48Å; N228-S231 PolarHBondContact O-N 3.36Å; N228-S231 PolarHBondContact O-OG 2.87Å; I229-S231 PolarHBondContact O-N 2.85Å; S231-H233 PolarHBondContact O-CD2 3.45Å; S231-H233 PolarHBondContact O-N 2.94Å
232I88.9Confident91.2Very high32 Ų3277 Ų7716%0.16441%0.41CS..  trans-75.5109173.8-52.4175.3000108.3I130 I229 H230 R238 A241I130-I232 HydrophobicContact CG2-CD1 4.14Å; I229-I232 HydrophobicContact CG1-CD1 4.31Å; I229-I232 PolarHBondContact O-N 3.46Å; H230-I232 PolarHBondContact O-N 3.4Å; I232-R238 HydrophobicContact CB-CG 3.81Å; I232-R238 HydrophobicContact CG2-CG 3.93Å; I232-R238 PolarHBondContact O-NE 2.87Å; I232-A241 HydrophobicContact CD1-CB 3.94Å
233H90Very high90.9Very high179 Ų17978.7 Ų78.783%0.82943%0.425SS*.  trans-77.9-26.9-176.2-69-70.2000114.1S231S231-H233 PolarHBondContact O-CD2 3.45Å; S231-H233 PolarHBondContact O-N 2.94Å
234S92.8Very high90.6Very high65 Ų6577 Ų7746%0.45541%0.414SS..  trans-86.3133.418068.40000111.8E236 G237 R238S234-E236 PolarHBondContact O-N 2.82Å; S234-G237 PolarHBondContact O-N 3.4Å; S234-G237 WeakPolarHBondContact OG-CA 3.48Å; S234-G237 PolarHBondContact OG-N 3.13Å; S234-G237 VanDerWaalsContact OG-N 3.1Å; S234-R238 PolarHBondContact O-N 3.37Å
235T91Very high90.4Very high122 Ų12274.4 Ų74.475%0.74840%0.402SS*.Hα-helixtrans-59.1-38.5174.8-510000111.5R238 S239T235-R238 PolarHBondContact O-N 2.72Å; T235-S239 WeakPolarHBondContact O-CB 3.31Å; T235-S239 PolarHBondContact O-N 3.32Å
236E89.1Confident90.3Very high159 Ų15975.8 Ų75.874%0.74342%0.417SS*.Hα-helixtrans-63.5-44.8175.8-175.4176.3-169.200111.8S234 R238 S239 K240S234-E236 PolarHBondContact O-N 2.82Å; E236-R238 PolarHBondContact O-N 3.27Å; E236-S239 PolarHBondContact O-N 3.18Å; E236-K240 WeakPolarHBondContact O-CB 3.1Å; E236-K240 PolarHBondContact O-N 2.94Å
237G88Confident90.3Very high22 Ų2271.2 Ų71.223%0.22739%0.393CS..Hα-helixtrans-60.6-44.4176.500000111.9S234 K240 A241S234-G237 PolarHBondContact O-N 3.4Å; S234-G237 WeakPolarHBondContact OG-CA 3.48Å; S234-G237 PolarHBondContact OG-N 3.13Å; S234-G237 VanDerWaalsContact OG-N 3.1Å; G237-K240 PolarHBondContact O-N 3Å; G237-A241 PolarHBondContact O-N 2.92Å
238R90.9Very high90.4Very high90 Ų9067.7 Ų67.734%0.3437%0.369SS..Hα-helixtrans-61-48.5175.1-75-177.8169.6173.12.7111.8I229 H230 I232 S234 T235 E236 K240 A241 F242I229-R238 PolarHBondContact O-NE 3.28Å; H230-R238 PolarHBondContact O-NH2 2.83Å; I232-R238 HydrophobicContact CB-CG 3.81Å; I232-R238 HydrophobicContact CG2-CG 3.93Å; I232-R238 PolarHBondContact O-NE 2.87Å; S234-R238 PolarHBondContact O-N 3.37Å; T235-R238 PolarHBondContact O-N 2.72Å; E236-R238 PolarHBondContact O-N 3.27Å; R238-K240 VanDerWaalsContact C-N 3.28Å; R238-K240 PolarHBondContact O-N 3.28Å; R238-A241 PolarHBondContact O-N 3.37Å; R238-F242 WeakPolarHBondContact O-CD2 3.47Å; R238-F242 PolarHBondContact O-N 3.49Å
239S89.7Confident90.5Very high79 Ų7967.9 Ų67.955%0.55237%0.369SS*.Hα-helixtrans-60.3-39.4178.6-176.80000112T235 E236 S243T235-S239 WeakPolarHBondContact O-CB 3.31Å; T235-S239 PolarHBondContact O-N 3.32Å; E236-S239 PolarHBondContact O-N 3.18Å; S239-S243 WeakPolarHBondContact O-CB 3.39Å; S239-S243 PolarHBondContact O-N 2.75Å
240K88.5Confident90.8Very high140 Ų14070.9 Ų70.961%0.60939%0.385SS*.Hα-helixtrans-64.2-46.6175.7-174.4175.5-178.5176.80111.2E236 G237 R238 S243 T244E236-K240 WeakPolarHBondContact O-CB 3.1Å; E236-K240 PolarHBondContact O-N 2.94Å; G237-K240 PolarHBondContact O-N 3Å; R238-K240 VanDerWaalsContact C-N 3.28Å; R238-K240 PolarHBondContact O-N 3.28Å; K240-S243 PolarHBondContact O-N 3.36Å; K240-T244 WeakPolarHBondContact O-CG2 3.15Å; K240-T244 PolarHBondContact O-N 3.43Å; K240-T244 PolarHBondContact O-OG1 2.94Å
241A90.4Very high91.2Very high6 Ų664.4 Ų64.45%0.0536%0.355CS..Hα-helixtrans-57.8-49.3176.600000111.6I130 I229 I232 G237 R238 S243 T244 C245I130-A241 HydrophobicContact CD1-CB 3.9Å; I130-A241 HydrophobicContact CG1-CB 4.45Å; I229-A241 HydrophobicContact CD1-CB 4.31Å; I232-A241 HydrophobicContact CD1-CB 3.94Å; G237-A241 PolarHBondContact O-N 2.92Å; R238-A241 PolarHBondContact O-N 3.37Å; A241-S243 VanDerWaalsContact C-N 3.33Å; A241-S243 PolarHBondContact O-N 3.05Å; A241-T244 PolarHBondContact O-N 3.18Å; A241-T244 PolarHBondContact O-OG1 3.44Å; A241-C245 WeakPolarHBondContact O-CB 3.02Å; A241-C245 PolarHBondContact O-N 2.98Å; A241-C245 PolarHBondContact O-SG 3.46Å; A241-C245 VanDerWaalsContact O-SG 3.41Å
242F90.4Very high91.4Very high112 Ų11261.9 Ų61.949%0.49134%0.337SS..Hα-helixtrans-60.8-40176.6-79.6-65.7000112.8I229 R238 G246I229-F242 HydrophobicContact CD1-CD1 4.02Å; I229-F242 HydrophobicContact CD1-CD2 3.98Å; I229-F242 HydrophobicContact CD1-CE1 3.64Å; I229-F242 HydrophobicContact CD1-CE2 3.59Å; I229-F242 HydrophobicContact CD1-CG 4.18Å; I229-F242 HydrophobicContact CD1-CZ 3.41Å; I229-F242 VanDerWaalsContact CD1-CZ 3.41Å; I229-F242 HydrophobicContact CG1-CE2 4.2Å; I229-F242 HydrophobicContact CG1-CZ 4.22Å; R238-F242 WeakPolarHBondContact O-CD2 3.47Å; R238-F242 PolarHBondContact O-N 3.49Å; F242-G246 WeakPolarHBondContact O-CA 3.34Å; F242-G246 PolarHBondContact O-N 3.28Å
243S89.1Confident91.6Very high56 Ų5663.8 Ų63.839%0.39235%0.353SS..Hα-helixtrans-65.3-44.8178.8-173.60000112.2S239 K240 A241 S247S239-S243 WeakPolarHBondContact O-CB 3.39Å; S239-S243 PolarHBondContact O-N 2.75Å; K240-S243 PolarHBondContact O-N 3.36Å; A241-S243 VanDerWaalsContact C-N 3.33Å; A241-S243 PolarHBondContact O-N 3.05Å; S243-S247 WeakPolarHBondContact O-CB 3.42Å; S243-S247 PolarHBondContact O-N 3.35Å; S243-S247 VanDerWaalsContact O-N 3.17Å; S243-S247 PolarHBondContact O-OG 3.05Å
244T90.3Very high91.6Very high32 Ų3257.8 Ų57.820%0.19633%0.327CS..Hα-helixtrans-75.2-39-176.3560000112.2R126 K240 A241 H248R126-T244 PolarHBondContact NE-O 3.5Å; R126-T244 PolarHBondContact NH2-O 3.48Å; R126-T244 VanDerWaalsContact NH2-O 3.11Å; K240-T244 WeakPolarHBondContact O-CG2 3.15Å; K240-T244 PolarHBondContact O-N 3.43Å; K240-T244 PolarHBondContact O-OG1 2.94Å; A241-T244 PolarHBondContact O-N 3.18Å; A241-T244 PolarHBondContact O-OG1 3.44Å; T244-H248 PolarHBondContact O-N 2.97Å
245C93.4Very high91.5Very high11 Ų1155.1 Ų55.17%0.07431%0.307CS..Hα-helixtrans-69-46174.7-750000111.6Y222 A241 S247 H248 I249Y222-C245 HydrophobicContact CE1-CB 3.71Å; Y222-C245 PolarHBondContact OH-O 3.43Å; A241-C245 WeakPolarHBondContact O-CB 3.02Å; A241-C245 PolarHBondContact O-N 2.98Å; A241-C245 PolarHBondContact O-SG 3.46Å; A241-C245 VanDerWaalsContact O-SG 3.41Å; C245-S247 PolarHBondContact O-N 3.34Å; C245-H248 PolarHBondContact O-N 3.19Å; C245-I249 WeakPolarHBondContact O-CG1 3.26Å; C245-I249 PolarHBondContact O-N 3.41Å
246G92.9Very high91.5Very high32 Ų3250.5 Ų50.533%0.3328%0.276SS..Hα-helixtrans-60.2-45.5178.700000112.6F242 H248 I249 I250F242-G246 WeakPolarHBondContact O-CA 3.34Å; F242-G246 PolarHBondContact O-N 3.28Å; G246-H248 VanDerWaalsContact C-N 3.34Å; G246-H248 PolarHBondContact O-N 2.96Å; G246-I249 PolarHBondContact O-N 3.41Å; G246-I250 VanDerWaalsContact O-CG1 3.3Å; G246-I250 WeakPolarHBondContact O-CG1 3.49Å; G246-I250 PolarHBondContact O-N 3.02Å
247S92.9Very high91.4Very high8 Ų845 Ų456%0.05626%0.262CS..Hα-helixtrans-58.9-43.2174.5-800000112.4S243 C245 I250 A251 I292S243-S247 WeakPolarHBondContact O-CB 3.42Å; S243-S247 PolarHBondContact O-N 3.35Å; S243-S247 VanDerWaalsContact O-N 3.17Å; S243-S247 PolarHBondContact O-OG 3.05Å; C245-S247 PolarHBondContact O-N 3.34Å; S247-I250 PolarHBondContact O-N 3.31Å; S247-A251 PolarHBondContact O-N 3.08Å; S247-A251 VanDerWaalsContact O-N 3.15Å; S247-I292 WeakPolarHBondContact CB-O 3.36Å; S247-I292 WeakPolarHBondContact O-CG2 3.3Å; S247-I292 PolarHBondContact OG-O 3.42Å
248H94.9Very high91.3Very high0 Ų044.5 Ų44.50%026%0.256CS..Hα-helixtrans-71.5-38.1-179.2177.1-95.8000112.7L119 R126 Y222 T244 C245 G246 I250 A251 V252 Y293L119-H248 PolarHBondContact O-CE1 3.15Å; L119-H248 VanDerWaalsContact O-CE1 3.3Å; L119-H248 PolarHBondContact O-NE2 3.42Å; R126-H248 VanDerWaalsContact CZ-CB 3.48Å; R126-H248 VanDerWaalsContact NE-CB 3.33Å; Y222-H248 AromaticContact CE2-ND1 3.51Å; Y222-H248 AromaticContact CZ-ND1 3.5Å; Y222-H248 VanDerWaalsContact OH-CB 3.3Å; Y222-H248 WeakPolarHBondContact OH-CB 3.44Å; Y222-H248 PolarHBondContact OH-ND1 3.17Å; T244-H248 PolarHBondContact O-N 2.97Å; C245-H248 PolarHBondContact O-N 3.19Å; G246-H248 VanDerWaalsContact C-N 3.34Å; G246-H248 PolarHBondContact O-N 2.96Å; H248-I250 VanDerWaalsContact C-N 3.3Å; H248-I250 PolarHBondContact O-N 3.4Å; H248-A251 PolarHBondContact O-N 3.15Å; H248-V252 WeakPolarHBondContact CE1-CG2 3.45Å; H248-V252 WeakPolarHBondContact O-CB 3.37Å; H248-V252 WeakPolarHBondContact O-CG2 3.4Å; H248-V252 PolarHBondContact O-N 2.88Å; H248-Y293 HydrophobicContact CB-CE1 4.24Å; H248-Y293 PolarHBondContact CD2-OH 2.84Å; H248-Y293 VanDerWaalsContact CD2-OH 3.3Å
249I95.2Very high91Very high61 Ų6141 Ų4131%0.31325%0.246SC..Hα-helixtrans-59.8-41.5171.4-70.6-63.2000111.3Y222 C245 G246 A251 V252 S253Y222-I249 HydrophobicContact CD1-CD1 3.65Å; Y222-I249 HydrophobicContact CD1-CG1 3.81Å; Y222-I249 HydrophobicContact CD2-CD1 3.92Å; Y222-I249 HydrophobicContact CE1-CD1 3.51Å; Y222-I249 HydrophobicContact CE1-CG1 3.33Å; Y222-I249 HydrophobicContact CE2-CD1 3.79Å; Y222-I249 HydrophobicContact CE2-CG1 4.38Å; Y222-I249 HydrophobicContact CG-CD1 3.84Å; Y222-I249 HydrophobicContact CG-CG1 4.5Å; C245-I249 WeakPolarHBondContact O-CG1 3.26Å; C245-I249 PolarHBondContact O-N 3.41Å; G246-I249 PolarHBondContact O-N 3.41Å; I249-A251 PolarHBondContact O-N 3.24Å; I249-V252 PolarHBondContact O-N 3.33Å; I249-S253 VanDerWaalsContact O-CB 3.29Å; I249-S253 WeakPolarHBondContact O-CB 3.49Å; I249-S253 PolarHBondContact O-N 3.32Å; I249-S253 PolarHBondContact O-OG 2.95Å
250I93.2Very high90.7Very high77 Ų7738.7 Ų38.740%0.39523%0.232SC..Hα-helixtrans-58.8-48.3175.5-68.5164.5000110.8G246 S247 H248 S253 L254 I292G246-I250 VanDerWaalsContact O-CG1 3.3Å; G246-I250 WeakPolarHBondContact O-CG1 3.49Å; G246-I250 PolarHBondContact O-N 3.02Å; S247-I250 PolarHBondContact O-N 3.31Å; H248-I250 VanDerWaalsContact C-N 3.3Å; H248-I250 PolarHBondContact O-N 3.4Å; I250-S253 PolarHBondContact O-N 2.79Å; I250-L254 HydrophobicContact CG2-CD1 4.06Å; I250-L254 VanDerWaalsContact O-CG 3.31Å; I250-L254 WeakPolarHBondContact O-CG 3.44Å; I250-L254 PolarHBondContact O-N 2.87Å; I250-I292 HydrophobicContact CG2-CD1 3.98Å; I250-I292 HydrophobicContact CG2-CG1 4.38Å
251A93.6Very high90.2Very high3 Ų336.6 Ų36.63%0.02522%0.223CC..Hα-helixtrans-62.1-47178.600000112.2L119 S247 H248 I249 S253 L254 F255 I292 Y293L119-A251 HydrophobicContact CD2-CB 4.48Å; S247-A251 PolarHBondContact O-N 3.08Å; S247-A251 VanDerWaalsContact O-N 3.15Å; H248-A251 PolarHBondContact O-N 3.15Å; I249-A251 PolarHBondContact O-N 3.24Å; A251-S253 PolarHBondContact O-N 3.11Å; A251-L254 PolarHBondContact O-N 3.2Å; A251-F255 PolarHBondContact O-N 3.09Å; A251-I292 HydrophobicContact CB-CD1 4.31Å; A251-I292 HydrophobicContact CB-CG2 4.36Å; A251-Y293 HydrophobicContact CB-CE2 4.06Å; A251-Y293 VanDerWaalsContact CB-OH 3.22Å; A251-Y293 WeakPolarHBondContact CB-OH 3.38Å
252V94.3Very high89.6Confident13 Ų1336.8 Ų36.88%0.07922%0.223CC..Hα-helixtrans-60.3-44.6177.1164.50000111.4L119 I218 H248 I249 L254 F255 F256L119-V252 HydrophobicContact CB-CG2 4.38Å; I218-V252 HydrophobicContact CD1-CG1 3.91Å; I218-V252 HydrophobicContact CD1-CG2 4.09Å; I218-V252 HydrophobicContact CG2-CG1 4.24Å; H248-V252 WeakPolarHBondContact CE1-CG2 3.45Å; H248-V252 WeakPolarHBondContact O-CB 3.37Å; H248-V252 WeakPolarHBondContact O-CG2 3.4Å; H248-V252 PolarHBondContact O-N 2.88Å; I249-V252 PolarHBondContact O-N 3.33Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.29Å; V252-F255 PolarHBondContact O-N 3.4Å; V252-F256 HydrophobicContact CB-CD2 4.42Å; V252-F256 HydrophobicContact CG1-CD2 3.68Å; V252-F256 HydrophobicContact CG1-CE2 4.23Å; V252-F256 WeakPolarHBondContact O-CB 3.41Å; V252-F256 WeakPolarHBondContact O-CD2 3.46Å; V252-F256 PolarHBondContact O-N 2.66Å
253S92.5Very high88.7Confident72 Ų7234.5 Ų34.550%0.50321%0.211SC..Hα-helixtrans-65-38.3179.1-67.60000112.1I249 I250 A251 G257I249-S253 VanDerWaalsContact O-CB 3.29Å; I249-S253 WeakPolarHBondContact O-CB 3.49Å; I249-S253 PolarHBondContact O-N 3.32Å; I249-S253 PolarHBondContact O-OG 2.95Å; I250-S253 PolarHBondContact O-N 2.79Å; A251-S253 PolarHBondContact O-N 3.11Å; S253-G257 VanDerWaalsContact O-CA 3.23Å; S253-G257 WeakPolarHBondContact O-CA 3.37Å; S253-G257 PolarHBondContact O-N 3.12Å
254L90.4Very high88Confident54 Ų5437.8 Ų37.828%0.28322%0.224SC..Hα-helixtrans-64.3-46.3174.8-72.3169.4000111.4I250 A251 V252 A258 L288 I292I250-L254 HydrophobicContact CG2-CD1 4.06Å; I250-L254 VanDerWaalsContact O-CG 3.31Å; I250-L254 WeakPolarHBondContact O-CG 3.44Å; I250-L254 PolarHBondContact O-N 2.87Å; A251-L254 PolarHBondContact O-N 3.2Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.29Å; L254-A258 VanDerWaalsContact O-CB 3.31Å; L254-A258 WeakPolarHBondContact O-CB 3.19Å; L254-A258 PolarHBondContact O-N 2.9Å; L254-L288 HydrophobicContact CD1-CD1 3.84Å; L254-I292 HydrophobicContact CD1-CD1 3.99Å
255F91.6Very high87Confident8 Ų838.9 Ų38.94%0.03523%0.229CC..Hα-helixtrans-69.9-63.6-179.1179.1-97.1000112.5V112 E115 C116 L119 A251 V252 G257 A258 A259V112-F255 HydrophobicContact CG2-CE2 3.89Å; V112-F255 HydrophobicContact CG2-CZ 3.83Å; E115-F255 HydrophobicContact CB-CE2 4.2Å; E115-F255 HydrophobicContact CB-CZ 4.45Å; E115-F255 VanDerWaalsContact CD-CD2 3.46Å; E115-F255 HydrophobicContact CG-CD2 4.03Å; E115-F255 HydrophobicContact CG-CE2 3.84Å; E115-F255 HydrophobicContact CG-CZ 4.34Å; E115-F255 WeakPolarHBondContact OE2-CE2 3.49Å; C116-F255 HydrophobicContact CB-CE1 3.78Å; C116-F255 HydrophobicContact CB-CZ 3.96Å; L119-F255 HydrophobicContact CD1-CB 4.01Å; L119-F255 HydrophobicContact CD1-CD1 4Å; L119-F255 HydrophobicContact CD1-CG 3.96Å; A251-F255 PolarHBondContact O-N 3.09Å; V252-F255 PolarHBondContact O-N 3.4Å; F255-G257 PolarHBondContact O-N 3.36Å; F255-A258 PolarHBondContact O-N 3.29Å; F255-A259 WeakPolarHBondContact O-CB 3.37Å; F255-A259 PolarHBondContact O-N 2.87Å
256F89.6Confident85.3Confident26 Ų2642.2 Ų42.211%0.11425%0.25CS..Hα-helixtrans-69-33.7-176-75.8-84.7000112.4C116 P214 I218 V252 A260C116-F256 VanDerWaalsContact SG-CE1 3.55Å; C116-F256 WeakPolarHBondContact SG-CZ 3.28Å; P214-F256 HydrophobicContact CB-CE1 3.7Å; P214-F256 HydrophobicContact CB-CZ 3.45Å; P214-F256 VanDerWaalsContact CB-CZ 3.45Å; P214-F256 HydrophobicContact CG-CZ 4.39Å; I218-F256 HydrophobicContact CD1-CD2 4.37Å; I218-F256 HydrophobicContact CD1-CE2 3.7Å; I218-F256 HydrophobicContact CD1-CZ 4.14Å; V252-F256 HydrophobicContact CB-CD2 4.42Å; V252-F256 HydrophobicContact CG1-CD2 3.68Å; V252-F256 HydrophobicContact CG1-CE2 4.23Å; V252-F256 WeakPolarHBondContact O-CB 3.41Å; V252-F256 WeakPolarHBondContact O-CD2 3.46Å; V252-F256 PolarHBondContact O-N 2.66Å; F256-A260 WeakPolarHBondContact O-CB 3.43Å; F256-A260 PolarHBondContact O-N 3.35Å
257G87.2Confident83.8Confident42 Ų4247.1 Ų47.143%0.43328%0.279SS..Hα-helixtrans-64.2-45.2178.700000112S253 F255 F261S253-G257 VanDerWaalsContact O-CA 3.23Å; S253-G257 WeakPolarHBondContact O-CA 3.37Å; S253-G257 PolarHBondContact O-N 3.12Å; F255-G257 PolarHBondContact O-N 3.36Å; G257-F261 PolarHBondContact O-N 2.73Å; G257-F261 VanDerWaalsContact O-N 3.08Å
258A87Confident82Confident12 Ų1251.4 Ų51.410%0.09931%0.309CS..Hα-helixtrans-69.5-44.2175.700000111.8L254 F255 A260 F261 M262 S277 F280 Y281L254-A258 VanDerWaalsContact O-CB 3.31Å; L254-A258 WeakPolarHBondContact O-CB 3.19Å; L254-A258 PolarHBondContact O-N 2.9Å; F255-A258 PolarHBondContact O-N 3.29Å; A258-A260 VanDerWaalsContact C-N 3.32Å; A258-A260 PolarHBondContact O-N 3.31Å; A258-F261 PolarHBondContact O-N 2.99Å; A258-F261 VanDerWaalsContact O-N 3.15Å; A258-M262 PolarHBondContact O-N 2.77Å; A258-M262 VanDerWaalsContact O-N 3.09Å; A258-S277 PolarHBondContact O-OG 3.19Å; A258-F280 HydrophobicContact CB-CB 3.59Å; A258-Y281 HydrophobicContact CB-CD1 4.2Å
259A84.7Confident80.5Confident17 Ų1752.5 Ų52.514%0.1432%0.319CS..Hα-helixtrans-59.5-41.817600000112.5F255 M262 Y263 Y281F255-A259 WeakPolarHBondContact O-CB 3.37Å; F255-A259 PolarHBondContact O-N 2.87Å; A259-M262 PolarHBondContact O-N 2.88Å; A259-Y263 WeakPolarHBondContact O-CD2 3.38Å; A259-Y263 PolarHBondContact O-N 3.37Å; A259-Y263 VanDerWaalsContact O-N 3.12Å; A259-Y281 HydrophobicContact CB-CD1 4.5Å; A259-Y281 HydrophobicContact CB-CG 4.48Å
260A81.8Confident79.6Confident31 Ų3152.2 Ų52.226%0.25632%0.322SS..Hα-helixtrans-63.4-40.8175.400000112F256 A258 M262 L264F256-A260 WeakPolarHBondContact O-CB 3.43Å; F256-A260 PolarHBondContact O-N 3.35Å; A258-A260 VanDerWaalsContact C-N 3.32Å; A258-A260 PolarHBondContact O-N 3.31Å; A260-M262 VanDerWaalsContact C-N 3.29Å; A260-M262 PolarHBondContact O-N 2.02Å; A260-L264 HydrophobicContact CB-CD1 4.07Å; A260-L264 WeakPolarHBondContact O-CA 3.47Å; A260-L264 WeakPolarHBondContact O-CB 3.29Å; A260-L264 PolarHBondContact O-N 3.35Å
261F79Confident78.9Confident95 Ų9552.1 Ų52.142%0.41732%0.32SS..Hα-helixtrans-61.3-37.7176.1-178.5-93.3000112.1G257 A258 N265 E273G257-F261 PolarHBondContact O-N 2.73Å; G257-F261 VanDerWaalsContact O-N 3.08Å; A258-F261 PolarHBondContact O-N 2.99Å; A258-F261 VanDerWaalsContact O-N 3.15Å; F261-N265 WeakPolarHBondContact CE2-ND2 2.98Å; F261-N265 WeakPolarHBondContact CZ-ND2 3.3Å; F261-N265 VanDerWaalsContact O-CB 3.23Å; F261-N265 WeakPolarHBondContact O-CB 3.44Å; F261-N265 PolarHBondContact O-N 3.41Å; F261-E273 HydrophobicContact CE1-CB 4.31Å
262M77Confident78.2Confident11 Ų1156.6 Ų56.65%0.05434%0.343CS..Hα-helixtrans-69-49.5178.1-179.2-175.5159.200112.6E184 A258 A259 A260 Y281E184-M262 HydrophobicContact CG-CE 4.18Å; E184-M262 WeakPolarHBondContact OE1-CE 2.96Å; A258-M262 PolarHBondContact O-N 2.77Å; A258-M262 VanDerWaalsContact O-N 3.09Å; A259-M262 PolarHBondContact O-N 2.88Å; A260-M262 VanDerWaalsContact C-N 3.29Å; A260-M262 PolarHBondContact O-N 2.02Å; M262-Y281 HydrophobicContact SD-CE1 3.63Å; M262-Y281 PolarHBondContact SD-OH 2.85Å
263Y72.7Confident77.5Confident63 Ų6360 Ų6025%0.24736%0.358CS..Hα-helixtrans-94.3-18.8-169.7-69.8-73.3000114.8V207 A259V207-Y263 HydrophobicContact CG1-CD2 4.4Å; V207-Y263 HydrophobicContact CG1-CG 4.15Å; V207-Y263 HydrophobicContact CG2-CD1 4.45Å; V207-Y263 HydrophobicContact CG2-CE1 4.41Å; A259-Y263 WeakPolarHBondContact O-CD2 3.38Å; A259-Y263 PolarHBondContact O-N 3.37Å; A259-Y263 VanDerWaalsContact O-N 3.12Å
264L73.1Confident77Confident125 Ų12558.3 Ų58.365%0.65434%0.344SS*.Hα-helixtrans-103.4-5.7178.5-54179.1000113.2A260A260-L264 HydrophobicContact CB-CD1 4.07Å; A260-L264 WeakPolarHBondContact O-CA 3.47Å; A260-L264 WeakPolarHBondContact O-CB 3.29Å; A260-L264 PolarHBondContact O-N 3.35Å
265N69.3Low76.9Confident55 Ų5556 Ų5629%0.29433%0.332SS..SBendtrans-62.9140171.1-121.5-18.3000109.3F261 A269F261-N265 WeakPolarHBondContact CE2-ND2 2.98Å; F261-N265 WeakPolarHBondContact CZ-ND2 3.3Å; F261-N265 VanDerWaalsContact O-CB 3.23Å; F261-N265 WeakPolarHBondContact O-CB 3.44Å; F261-N265 PolarHBondContact O-N 3.41Å; N265-A269 HydrophobicContact CB-CB 4.02Å
266P58.6Low76.6Confident81 Ų8159.1 Ų59.153%0.52635%0.351SS..  trans-53.5153.6165.920.7-32.1000111S268 A269P266-S268 PolarHBondContact O-N 2.95Å; P266-A269 PolarHBondContact O-N 3.46Å
267S60.7Low76.3Confident135 Ų13558.1 Ų58.194%0.94435%0.347SS*.THydrogen-bonded Turntrans-56.95.1175.543.20000115.5
268S55.1Low76.3Confident98 Ų9856.1 Ų56.169%0.68533%0.327SS*.THydrogen-bonded Turntrans-84.9-8.1169.858.10000114.1P266P266-S268 PolarHBondContact O-N 2.95Å
269A63.9Low76.5Confident24 Ų2456.4 Ų56.420%0.19833%0.326CS..SBendtrans-63.8140174.300000110.6N265 P266 E273N265-A269 HydrophobicContact CB-CB 4.02Å; P266-A269 PolarHBondContact O-N 3.46Å; A269-E273 VanDerWaalsContact CA-OE2 3.24Å; A269-E273 WeakPolarHBondContact CA-OE2 3.21Å
270S76.3Confident76.5Confident55 Ų5560.4 Ų60.439%0.38534%0.341SS..  trans-78.1154.2176.8650000111.3D272 E273 D274S270-D272 PolarHBondContact O-N 2.83Å; S270-D272 VanDerWaalsContact O-N 3.1Å; S270-E273 PolarHBondContact N-OE2 2.95Å; S270-E273 WeakPolarHBondContact O-CB 3.45Å; S270-E273 PolarHBondContact O-N 3.49Å; S270-E273 WeakPolarHBondContact OG-CG 3.27Å; S270-E273 PolarHBondContact OG-N 3.06Å; S270-E273 PolarHBondContact OG-OE2 3.44Å; S270-D274 PolarHBondContact O-N 3.07Å
271E78.2Confident76.7Confident75 Ų7559 Ų5935%0.3533%0.329SS..Hα-helixtrans-58.8-26176.4-65.4176.7154.800112.2D179 K190 K275D179-E271 VanDerWaalsContact OD2-OE2 3.04Å; K190-E271 IonicContact NZ-OE1 2.66Å; K190-E271 PolarHBondContact NZ-OE1 2.89Å; E271-K275 VanDerWaalsContact O-CG 3.3Å; E271-K275 WeakPolarHBondContact O-CG 3.39Å; E271-K275 PolarHBondContact O-N 3.48Å; E271-K275 VanDerWaalsContact O-N 3.17Å
272D80.2Confident77.2Confident96 Ų9654.5 Ų54.551%0.51331%0.309SS..Hα-helixtrans-74.5-35.1174.9-68.3-24.7000112.6S270 D274 K275 V276S270-D272 PolarHBondContact O-N 2.83Å; S270-D272 VanDerWaalsContact O-N 3.1Å; D272-D274 VanDerWaalsContact C-N 3.33Å; D272-K275 PolarHBondContact O-N 3.27Å; D272-K275 IonicContact OD1-NZ 2.63Å; D272-K275 PolarHBondContact OD1-NZ 2.95Å; D272-V276 WeakPolarHBondContact O-CB 3.47Å; D272-V276 VanDerWaalsContact O-CG2 3.26Å; D272-V276 WeakPolarHBondContact O-CG2 3.42Å; D272-V276 PolarHBondContact O-N 2.74Å
273E78.9Confident77.9Confident84 Ų8454 Ų5439%0.39331%0.307SS..Hα-helixtrans-64.9-39.1173.3-75.8171.2151.400111.3F261 A269 S270 V276 S277F261-E273 HydrophobicContact CE1-CB 4.31Å; A269-E273 VanDerWaalsContact CA-OE2 3.24Å; A269-E273 WeakPolarHBondContact CA-OE2 3.21Å; S270-E273 PolarHBondContact N-OE2 2.95Å; S270-E273 WeakPolarHBondContact O-CB 3.45Å; S270-E273 PolarHBondContact O-N 3.49Å; S270-E273 WeakPolarHBondContact OG-CG 3.27Å; S270-E273 PolarHBondContact OG-N 3.06Å; S270-E273 PolarHBondContact OG-OE2 3.44Å; E273-V276 PolarHBondContact O-N 3Å; E273-S277 WeakPolarHBondContact O-CB 3.31Å; E273-S277 PolarHBondContact O-N 3.1Å
274D81.8Confident78.9Confident38 Ų3852.8 Ų52.820%0.20330%0.304CS..Hα-helixtrans-61.9-50.6175.3-73.1-13000110.9S270 D272 V276 S277 T278S270-D274 PolarHBondContact O-N 3.07Å; D272-D274 VanDerWaalsContact C-N 3.33Å; D274-V276 VanDerWaalsContact C-N 3.3Å; D274-V276 PolarHBondContact O-N 3.32Å; D274-S277 WeakPolarHBondContact O-CB 3.32Å; D274-S277 PolarHBondContact O-N 3Å; D274-S277 VanDerWaalsContact O-N 3.15Å; D274-T278 PolarHBondContact O-N 3.31Å; D274-T278 PolarHBondContact O-OG1 3.46Å
275K89Confident79.8Confident6 Ų647 Ų473%0.02627%0.274CS..Hα-helixtrans-56.9-43.3177.2-69.3167.2-156.2160.80112.2L22 D179 Y181 E271 D272 T278 I279L22-K275 HydrophobicContact CD1-CB 3.99Å; D179-K275 WeakPolarHBondContact O-CE 3.31Å; D179-K275 WeakPolarHBondContact OD1-CE 3.44Å; D179-K275 IonicContact OD1-NZ 2.85Å; D179-K275 PolarHBondContact OD1-NZ 3.04Å; Y181-K275 HydrophobicContact CD1-CB 4.45Å; Y181-K275 HydrophobicContact CD1-CG 4.45Å; Y181-K275 HydrophobicContact CE1-CB 4.21Å; E271-K275 VanDerWaalsContact O-CG 3.3Å; E271-K275 WeakPolarHBondContact O-CG 3.39Å; E271-K275 PolarHBondContact O-N 3.48Å; E271-K275 VanDerWaalsContact O-N 3.17Å; D272-K275 PolarHBondContact O-N 3.27Å; D272-K275 IonicContact OD1-NZ 2.63Å; D272-K275 PolarHBondContact OD1-NZ 2.95Å; K275-T278 PolarHBondContact O-N 3.5Å; K275-I279 WeakPolarHBondContact O-CG1 3.44Å; K275-I279 PolarHBondContact O-N 3.48Å
276V85.1Confident80.9Confident72 Ų7244.3 Ų44.344%0.43626%0.26SS..Hα-helixtrans-64.5-45.7178.31700000110.4D272 E273 D274 T278 I279 F280D272-V276 WeakPolarHBondContact O-CB 3.47Å; D272-V276 VanDerWaalsContact O-CG2 3.26Å; D272-V276 WeakPolarHBondContact O-CG2 3.42Å; D272-V276 PolarHBondContact O-N 2.74Å; E273-V276 PolarHBondContact O-N 3Å; D274-V276 VanDerWaalsContact C-N 3.3Å; D274-V276 PolarHBondContact O-N 3.32Å; V276-T278 VanDerWaalsContact C-N 3.3Å; V276-T278 PolarHBondContact O-N 3.14Å; V276-I279 WeakPolarHBondContact O-CB 3.29Å; V276-I279 PolarHBondContact O-N 2.63Å; V276-I279 VanDerWaalsContact O-N 3.13Å; V276-F280 HydrophobicContact CG1-CD2 4.21Å; V276-F280 HydrophobicContact CG1-CE2 3.84Å; V276-F280 VanDerWaalsContact O-CD2 3.27Å; V276-F280 WeakPolarHBondContact O-CD2 3.24Å; V276-F280 PolarHBondContact O-N 2.88Å
277S83.4Confident82.6Confident5 Ų542 Ų424%0.03524%0.242CC..Hα-helixtrans-58.2-45.1175.9-165.90000111.7A258 E273 D274 I279 F280 Y281A258-S277 PolarHBondContact O-OG 3.19Å; E273-S277 WeakPolarHBondContact O-CB 3.31Å; E273-S277 PolarHBondContact O-N 3.1Å; D274-S277 WeakPolarHBondContact O-CB 3.32Å; D274-S277 PolarHBondContact O-N 3Å; D274-S277 VanDerWaalsContact O-N 3.15Å; S277-I279 VanDerWaalsContact C-N 3.31Å; S277-I279 PolarHBondContact O-N 2.82Å; S277-F280 PolarHBondContact O-N 2.9Å; S277-Y281 VanDerWaalsContact O-CD1 3.28Å; S277-Y281 WeakPolarHBondContact O-CD1 3.32Å; S277-Y281 PolarHBondContact O-N 2.93Å
278T86.7Confident84.2Confident0 Ų038.1 Ų38.10%021%0.211CC..Hα-helixtrans-56.4-44.2174.7-50.40000111.3Y181 M182 D274 K275 V276 F280 Y281 T282Y181-T278 WeakPolarHBondContact OH-CB 3.41Å; Y181-T278 WeakPolarHBondContact OH-CG2 3.22Å; M182-T278 HydrophobicContact CE-CG2 3.45Å; M182-T278 VanDerWaalsContact CE-CG2 3.45Å; M182-T278 HydrophobicContact SD-CG2 4.29Å; D274-T278 PolarHBondContact O-N 3.31Å; D274-T278 PolarHBondContact O-OG1 3.46Å; K275-T278 PolarHBondContact O-N 3.5Å; V276-T278 VanDerWaalsContact C-N 3.3Å; V276-T278 PolarHBondContact O-N 3.14Å; T278-F280 PolarHBondContact O-N 2.89Å; T278-F280 VanDerWaalsContact O-N 3.15Å; T278-Y281 HydrophobicContact CG2-CE1 4.19Å; T278-Y281 PolarHBondContact O-N 3.39Å; T278-T282 VanDerWaalsContact C-OG1 3.31Å; T278-T282 HydrophobicContact CG2-CG2 3.42Å; T278-T282 VanDerWaalsContact CG2-CG2 3.42Å; T278-T282 WeakPolarHBondContact O-CB 3.39Å; T278-T282 WeakPolarHBondContact O-CG2 3.2Å; T278-T282 PolarHBondContact O-N 2.96Å; T278-T282 PolarHBondContact O-OG1 2.76Å
279I90.5Very high86.1Confident18 Ų1833.7 Ų33.79%0.09218%0.179CC..Hα-helixtrans-55.4-38.9177.2-71.3158.5000112.5L22 F36 Y181 K275 V276 S277 I283 M284L22-I279 HydrophobicContact CD1-CD1 3.5Å; L22-I279 HydrophobicContact CD2-CD1 3.7Å; L22-I279 HydrophobicContact CG-CD1 4.24Å; F36-I279 HydrophobicContact CE1-CD1 4.43Å; F36-I279 HydrophobicContact CE1-CG1 4.36Å; F36-I279 HydrophobicContact CE1-CG2 3.96Å; F36-I279 HydrophobicContact CZ-CD1 3.82Å; F36-I279 HydrophobicContact CZ-CG1 4.24Å; F36-I279 HydrophobicContact CZ-CG2 4.22Å; Y181-I279 HydrophobicContact CE1-CG1 4.11Å; Y181-I279 PolarHBondContact OH-N 3.1Å; K275-I279 WeakPolarHBondContact O-CG1 3.44Å; K275-I279 PolarHBondContact O-N 3.48Å; V276-I279 WeakPolarHBondContact O-CB 3.29Å; V276-I279 PolarHBondContact O-N 2.63Å; V276-I279 VanDerWaalsContact O-N 3.13Å; S277-I279 VanDerWaalsContact C-N 3.31Å; S277-I279 PolarHBondContact O-N 2.82Å; I279-I283 HydrophobicContact CG1-CD1 4.1Å; I279-I283 HydrophobicContact CG2-CB 4.38Å; I279-I283 WeakPolarHBondContact O-CA 3.26Å; I279-I283 WeakPolarHBondContact O-CB 3.29Å; I279-I283 PolarHBondContact O-N 3.17Å; I279-M284 HydrophobicContact CG2-CG 4.14Å; I279-M284 PolarHBondContact O-N 3.25Å
280F85.8Confident87.4Confident101 Ų10133 Ų3344%0.44317%0.173SC..Iπ-helixtrans-66.9-49.1-176.8-81.2-79.5000113A258 V276 S277 T278 M284 G285A258-F280 HydrophobicContact CB-CB 3.59Å; V276-F280 HydrophobicContact CG1-CD2 4.21Å; V276-F280 HydrophobicContact CG1-CE2 3.84Å; V276-F280 VanDerWaalsContact O-CD2 3.27Å; V276-F280 WeakPolarHBondContact O-CD2 3.24Å; V276-F280 PolarHBondContact O-N 2.88Å; S277-F280 PolarHBondContact O-N 2.9Å; T278-F280 PolarHBondContact O-N 2.89Å; T278-F280 VanDerWaalsContact O-N 3.15Å; F280-M284 HydrophobicContact CD1-CB 4.43Å; F280-M284 HydrophobicContact CD1-CG 4.27Å; F280-M284 WeakPolarHBondContact O-CB 3.48Å; F280-G285 PolarHBondContact O-N 3.3Å; F280-G285 VanDerWaalsContact O-N 3.1Å
281Y85.7Confident88.1Confident2 Ų234.3 Ų34.31%0.00817%0.172CC..Iπ-helixtrans-82.9-21.7-179.574.7-93.9000113.5F108 V112 A258 A259 M262 S277 T278F108-Y281 HydrophobicContact CE2-CE2 4.38Å; F108-Y281 HydrophobicContact CZ-CE2 4.42Å; V112-Y281 HydrophobicContact CG2-CD2 4.24Å; V112-Y281 HydrophobicContact CG2-CE2 4.1Å; A258-Y281 HydrophobicContact CB-CD1 4.2Å; A259-Y281 HydrophobicContact CB-CD1 4.5Å; A259-Y281 HydrophobicContact CB-CG 4.48Å; M262-Y281 HydrophobicContact SD-CE1 3.63Å; M262-Y281 PolarHBondContact SD-OH 2.85Å; S277-Y281 VanDerWaalsContact O-CD1 3.28Å; S277-Y281 WeakPolarHBondContact O-CD1 3.32Å; S277-Y281 PolarHBondContact O-N 2.93Å; T278-Y281 HydrophobicContact CG2-CE1 4.19Å; T278-Y281 PolarHBondContact O-N 3.39Å
282T89.4Confident88.7Confident0 Ų031.7 Ų31.70%016%0.16CC..Iπ-helixtrans-99.2-29.1-174.569.60000114.4Y78 F108 Y181 T278 P286Y78-T282 WeakPolarHBondContact CD1-O 3.43Å; Y78-T282 HydrophobicContact CE1-CG2 4.09Å; Y78-T282 WeakPolarHBondContact CE1-O 3.23Å; Y78-T282 WeakPolarHBondContact OH-CB 3.36Å; Y78-T282 WeakPolarHBondContact OH-CG2 3.23Å; F108-T282 HydrophobicContact CE2-CG2 4.03Å; Y181-T282 PolarHBondContact OH-OG1 3.48Å; T278-T282 VanDerWaalsContact C-OG1 3.31Å; T278-T282 HydrophobicContact CG2-CG2 3.42Å; T278-T282 VanDerWaalsContact CG2-CG2 3.42Å; T278-T282 WeakPolarHBondContact O-CB 3.39Å; T278-T282 WeakPolarHBondContact O-CG2 3.2Å; T278-T282 PolarHBondContact O-N 2.96Å; T278-T282 PolarHBondContact O-OG1 2.76Å; T282-P286 WeakPolarHBondContact O-CG 3.3Å
283I92.7Very high89Confident2 Ų227.7 Ų27.71%0.0114%0.138CC..Iπ-helixtrans-121.8-44.9-171.5-67.5160.4000111F36 I39 M86 Y181 I279 M287F36-I283 HydrophobicContact CD1-CG2 4.17Å; F36-I283 HydrophobicContact CE1-CD1 4.29Å; F36-I283 HydrophobicContact CE1-CG2 4.2Å; I39-I283 HydrophobicContact CG2-CG2 3.47Å; I39-I283 VanDerWaalsContact CG2-CG2 3.47Å; M86-I283 HydrophobicContact CE-CD1 3.61Å; M86-I283 HydrophobicContact SD-CD1 3.76Å; Y181-I283 HydrophobicContact CE2-CD1 4.3Å; I279-I283 HydrophobicContact CG1-CD1 4.1Å; I279-I283 HydrophobicContact CG2-CB 4.38Å; I279-I283 WeakPolarHBondContact O-CA 3.26Å; I279-I283 WeakPolarHBondContact O-CB 3.29Å; I279-I283 PolarHBondContact O-N 3.17Å; I283-M287 WeakPolarHBondContact O-CB 3.46Å; I283-M287 PolarHBondContact O-N 2.97Å
284M92.5Very high89.1Confident36 Ų3624.4 Ų24.418%0.17712%0.124CC..Iπ-helixtrans-72.3-40.7179.1-64.6-70.491.400112.9I39 I279 F280 M287 L288I39-M284 HydrophobicContact CB-CE 4.2Å; I39-M284 HydrophobicContact CD1-CE 3.39Å; I39-M284 HydrophobicContact CG1-CE 3.72Å; I39-M284 HydrophobicContact CG2-CE 3.4Å; I39-M284 VanDerWaalsContact CG2-CE 3.4Å; I279-M284 HydrophobicContact CG2-CG 4.14Å; I279-M284 PolarHBondContact O-N 3.25Å; F280-M284 HydrophobicContact CD1-CB 4.43Å; F280-M284 HydrophobicContact CD1-CG 4.27Å; F280-M284 WeakPolarHBondContact O-CB 3.48Å; M284-M287 PolarHBondContact O-N 2.94Å; M284-L288 HydrophobicContact CB-CD1 4.36Å; M284-L288 VanDerWaalsContact O-CB 3.31Å; M284-L288 WeakPolarHBondContact O-CB 3.25Å; M284-L288 WeakPolarHBondContact O-CG 3.32Å; M284-L288 PolarHBondContact O-N 3.46Å
285G91.7Very high88.6Confident3 Ų327.2 Ų27.23%0.03114%0.138CC..Hα-helixtrans-51.5-62.3173.800000112.5F280 M287 L288 N289F280-G285 PolarHBondContact O-N 3.3Å; F280-G285 VanDerWaalsContact O-N 3.1Å; G285-M287 PolarHBondContact O-N 2.87Å; G285-L288 PolarHBondContact O-N 3.36Å; G285-N289 WeakPolarHBondContact O-CB 3.07Å; G285-N289 PolarHBondContact O-N 3.4Å; G285-N289 PolarHBondContact O-OD1 2.79Å
286P93.4Very high87.8Confident0 Ų035 Ų350%017%0.167CC..Hα-helixtrans-55.6-34.8178.1-32.839.6000114.8N47 D75 Y78 S79 T282 P290N47-P286 PolarHBondContact ND2-O 2.95Å; D75-P286 HydrophobicContact CB-CB 3.86Å; D75-P286 HydrophobicContact CB-CG 4.38Å; Y78-P286 HydrophobicContact CD1-CG 4.38Å; S79-P286 WeakPolarHBondContact OG-CB 3.21Å; T282-P286 WeakPolarHBondContact O-CG 3.3Å; P286-P290 VanDerWaalsContact O-CD 3.26Å; P286-P290 WeakPolarHBondContact O-CD 3.31Å
287M94.8Very high87.7Confident31 Ų3133 Ų3315%0.15315%0.154CC..Hα-helixtrans-69.7-42176.4-176-108.1124.300111.9I39 C42 S43 I283 M284 G285 F291I39-M287 HydrophobicContact CG2-CB 4.02Å; I39-M287 HydrophobicContact CG2-CG 4.07Å; C42-M287 HydrophobicContact CB-CG 4.09Å; S43-M287 WeakPolarHBondContact OG-CA 3.45Å; S43-M287 VanDerWaalsContact OG-CB 3.26Å; S43-M287 WeakPolarHBondContact OG-CB 3.18Å; S43-M287 PolarHBondContact OG-N 3.17Å; I283-M287 WeakPolarHBondContact O-CB 3.46Å; I283-M287 PolarHBondContact O-N 2.97Å; M284-M287 PolarHBondContact O-N 2.94Å; G285-M287 PolarHBondContact O-N 2.87Å; M287-F291 HydrophobicContact CE-CD2 3.62Å; M287-F291 HydrophobicContact CE-CE1 4.45Å; M287-F291 HydrophobicContact CE-CE2 3.27Å; M287-F291 HydrophobicContact CE-CG 4.36Å; M287-F291 HydrophobicContact CE-CZ 3.77Å; M287-F291 WeakPolarHBondContact O-CD2 3.11Å; M287-F291 VanDerWaalsContact O-CE2 3.22Å; M287-F291 WeakPolarHBondContact O-CE2 3.16Å
288L94.1Very high87.9Confident54 Ų5440.5 Ų40.528%0.28319%0.186SC..Hα-helixtrans-83.3-26.9-174.4-67.5170.9000113.1L254 M284 G285 F291 I292L254-L288 HydrophobicContact CD1-CD1 3.84Å; M284-L288 HydrophobicContact CB-CD1 4.36Å; M284-L288 VanDerWaalsContact O-CB 3.31Å; M284-L288 WeakPolarHBondContact O-CB 3.25Å; M284-L288 WeakPolarHBondContact O-CG 3.32Å; M284-L288 PolarHBondContact O-N 3.46Å; G285-L288 PolarHBondContact O-N 3.36Å; L288-F291 CarbonylContact O-C 3.55Å; L288-F291 WeakPolarHBondContact O-CA 3.28Å; L288-F291 WeakPolarHBondContact O-CB 3.35Å; L288-F291 PolarHBondContact O-N 3.16Å; L288-I292 HydrophobicContact CB-CD1 3.88Å; L288-I292 HydrophobicContact CB-CG1 4.43Å; L288-I292 WeakPolarHBondContact O-CG1 3.43Å; L288-I292 PolarHBondContact O-N 3.3Å
289N93.9Very high87.9Confident6 Ų643.4 Ų43.43%0.03220%0.202CC..Hα-helixtrans-52.8-49-176.9-80.6-16.6000113.2D75 G285 F291 I292 Y293D75-N289 WeakPolarHBondContact OD2-CB 3.22Å; D75-N289 PolarHBondContact OD2-ND2 2.99Å; G285-N289 WeakPolarHBondContact O-CB 3.07Å; G285-N289 PolarHBondContact O-N 3.4Å; G285-N289 PolarHBondContact O-OD1 2.79Å; N289-F291 VanDerWaalsContact C-N 3.26Å; N289-F291 PolarHBondContact O-N 2.68Å; N289-I292 PolarHBondContact O-N 3.28Å; N289-Y293 HydrophobicContact CB-CD2 4.32Å; N289-Y293 HydrophobicContact CB-CE2 4.43Å; N289-Y293 VanDerWaalsContact O-CD2 3.23Å; N289-Y293 WeakPolarHBondContact O-CD2 3.32Å; N289-Y293 PolarHBondContact O-N 3.33Å
290P91.7Very high87.8Confident9 Ų943 Ų436%0.05820%0.2CC..Hα-helixtrans-55.8-38.2173.1-28.235.7000113.3N47 P286 S294N47-P290 WeakPolarHBondContact OD1-CG 3.46Å; P286-P290 VanDerWaalsContact O-CD 3.26Å; P286-P290 WeakPolarHBondContact O-CD 3.31Å; P290-S294 WeakPolarHBondContact O-CA 3.32Å; P290-S294 WeakPolarHBondContact O-CB 3.39Å; P290-S294 PolarHBondContact O-N 3.19Å; P290-S294 PolarHBondContact O-OG 3.15Å; P290-S294 VanDerWaalsContact O-OG 3.08Å
291F90.5Very high88Confident83 Ų8341.8 Ų41.836%0.36420%0.196SC..Iπ-helixtrans-72.1-42.8179.9-61.6-104.5000111.3M287 L288 N289 I295M287-F291 HydrophobicContact CE-CD2 3.62Å; M287-F291 HydrophobicContact CE-CE1 4.45Å; M287-F291 HydrophobicContact CE-CE2 3.27Å; M287-F291 HydrophobicContact CE-CG 4.36Å; M287-F291 HydrophobicContact CE-CZ 3.77Å; M287-F291 WeakPolarHBondContact O-CD2 3.11Å; M287-F291 VanDerWaalsContact O-CE2 3.22Å; M287-F291 WeakPolarHBondContact O-CE2 3.16Å; L288-F291 CarbonylContact O-C 3.55Å; L288-F291 WeakPolarHBondContact O-CA 3.28Å; L288-F291 WeakPolarHBondContact O-CB 3.35Å; L288-F291 PolarHBondContact O-N 3.16Å; N289-F291 VanDerWaalsContact C-N 3.26Å; N289-F291 PolarHBondContact O-N 2.68Å; F291-I295 HydrophobicContact CB-CD1 3.96Å; F291-I295 HydrophobicContact CD1-CD1 3.12Å; F291-I295 HydrophobicContact CD1-CG1 4.39Å; F291-I295 HydrophobicContact CE1-CD1 3.77Å; F291-I295 HydrophobicContact CG-CD1 3.8Å; F291-I295 PolarHBondContact O-N 2.91Å
292I90.9Very high88.3Confident20 Ų2045.4 Ų45.410%0.10321%0.214CC..Iπ-helixtrans-63.2-42.8179.7-69.7167.6000111.2S247 I250 A251 L254 L288 N289S247-I292 WeakPolarHBondContact CB-O 3.36Å; S247-I292 WeakPolarHBondContact O-CG2 3.3Å; S247-I292 PolarHBondContact OG-O 3.42Å; I250-I292 HydrophobicContact CG2-CD1 3.98Å; I250-I292 HydrophobicContact CG2-CG1 4.38Å; A251-I292 HydrophobicContact CB-CD1 4.31Å; A251-I292 HydrophobicContact CB-CG2 4.36Å; L254-I292 HydrophobicContact CD1-CD1 3.99Å; L288-I292 HydrophobicContact CB-CD1 3.88Å; L288-I292 HydrophobicContact CB-CG1 4.43Å; L288-I292 WeakPolarHBondContact O-CG1 3.43Å; L288-I292 PolarHBondContact O-N 3.3Å; N289-I292 PolarHBondContact O-N 3.28Å
293Y87.4Confident88.4Confident11 Ų1145.4 Ų45.44%0.04321%0.214CC..Iπ-helixtrans-96.6-28.1-174-65.6-62.8000114.8L68 L71 M122 H248 A251 N289 N297L68-Y293 HydrophobicContact CD2-CD1 3.88Å; L68-Y293 HydrophobicContact CD2-CD2 3.55Å; L68-Y293 HydrophobicContact CD2-CE1 4.36Å; L68-Y293 HydrophobicContact CD2-CE2 4.08Å; L68-Y293 HydrophobicContact CD2-CG 3.44Å; L68-Y293 VanDerWaalsContact CD2-CG 3.44Å; L71-Y293 HydrophobicContact CD2-CD2 4.33Å; L71-Y293 HydrophobicContact CD2-CE2 3.75Å; M122-Y293 HydrophobicContact CE-CD1 4.21Å; M122-Y293 HydrophobicContact CE-CE1 3.56Å; M122-Y293 HydrophobicContact CE-CE2 4.16Å; H248-Y293 HydrophobicContact CB-CE1 4.24Å; H248-Y293 PolarHBondContact CD2-OH 2.84Å; H248-Y293 VanDerWaalsContact CD2-OH 3.3Å; A251-Y293 HydrophobicContact CB-CE2 4.06Å; A251-Y293 VanDerWaalsContact CB-OH 3.22Å; A251-Y293 WeakPolarHBondContact CB-OH 3.38Å; N289-Y293 HydrophobicContact CB-CD2 4.32Å; N289-Y293 HydrophobicContact CB-CE2 4.43Å; N289-Y293 VanDerWaalsContact O-CD2 3.23Å; N289-Y293 WeakPolarHBondContact O-CD2 3.32Å; N289-Y293 PolarHBondContact O-N 3.33Å; Y293-N297 VanDerWaalsContact O-CB 3.27Å; Y293-N297 WeakPolarHBondContact O-CB 3.24Å
294S79.9Confident88.4Confident15 Ų1549 Ų4911%0.10523%0.233CC..Iπ-helixtrans-101.6-48.8-173-52.70000113.8P290 R296 N297P290-S294 WeakPolarHBondContact O-CA 3.32Å; P290-S294 WeakPolarHBondContact O-CB 3.39Å; P290-S294 PolarHBondContact O-N 3.19Å; P290-S294 PolarHBondContact O-OG 3.15Å; P290-S294 VanDerWaalsContact O-OG 3.08Å; S294-R296 PolarHBondContact O-N 3.33Å; S294-R296 VanDerWaalsContact O-N 3.14Å; S294-N297 PolarHBondContact O-N 3.5Å
295I71.5Confident88.3Confident97 Ų9755.6 Ų55.650%0.49726%0.256SS..Iπ-helixtrans-63.8-28.9-170.1-70.1179000112.1F291 H301F291-I295 HydrophobicContact CB-CD1 3.96Å; F291-I295 HydrophobicContact CD1-CD1 3.12Å; F291-I295 HydrophobicContact CD1-CG1 4.39Å; F291-I295 HydrophobicContact CE1-CD1 3.77Å; F291-I295 HydrophobicContact CG-CD1 3.8Å; F291-I295 PolarHBondContact O-N 2.91Å; I295-H301 PolarHBondContact O-NE2 3.25Å
296R72.8Confident88.3Confident169 Ų16960 Ų6064%0.63827%0.274SS*.THydrogen-bonded Turntrans-88.3-8.5176.8-63.9-178.1176.2-178.2-1113.3S294S294-R296 PolarHBondContact O-N 3.33Å; S294-R296 VanDerWaalsContact O-N 3.14Å
297N82.5Confident88.2Confident31 Ų3161.4 Ų61.417%0.16628%0.283CS..  trans-100.7115.4-170.6-162.9-38.6000112.3Y65 Y293 S294 D299 V300 H301Y65-N297 PolarHBondContact OH-ND2 3Å; Y65-N297 PolarHBondContact OH-OD1 2.94Å; Y293-N297 VanDerWaalsContact O-CB 3.27Å; Y293-N297 WeakPolarHBondContact O-CB 3.24Å; S294-N297 PolarHBondContact O-N 3.5Å; N297-D299 VanDerWaalsContact C-N 3.25Å; N297-D299 PolarHBondContact O-N 3.08Å; N297-D299 PolarHBondContact OD1-N 2.66Å; N297-V300 HydrophobicContact CB-CG2 4.08Å; N297-V300 PolarHBondContact O-N 3.23Å; N297-H301 PolarHBondContact O-CD2 3.06Å; N297-H301 VanDerWaalsContact O-CD2 3.25Å; N297-H301 PolarHBondContact O-N 3.32Å
298K86.6Confident88Confident163 Ų16364.8 Ų64.871%0.70930%0.301SS*.Hα-helixtrans-58.5-34.8-179-67.5-179-179.4175.90112.7V300 H301 I302K298-V300 VanDerWaalsContact C-N 3.31Å; K298-V300 PolarHBondContact O-N 3.5Å; K298-H301 PolarHBondContact O-N 2.89Å; K298-I302 VanDerWaalsContact O-CG1 3.29Å; K298-I302 WeakPolarHBondContact O-CG1 3.5Å; K298-I302 PolarHBondContact O-N 3.04Å
299D88.3Confident87.7Confident60 Ų6068.8 Ų68.832%0.32132%0.316SS..Hα-helixtrans-69.7-33.5-176.4-50.1-37.2000111.3H59 L60 Y65 N297 I302 A303H59-D299 PolarHBondContact NE2-O 3.3Å; L60-D299 HydrophobicContact CD2-CB 3.78Å; Y65-D299 HydrophobicContact CE2-CB 4.31Å; Y65-D299 WeakPolarHBondContact OH-CB 3.46Å; N297-D299 VanDerWaalsContact C-N 3.25Å; N297-D299 PolarHBondContact O-N 3.08Å; N297-D299 PolarHBondContact OD1-N 2.66Å; D299-I302 PolarHBondContact O-N 3.28Å; D299-A303 WeakPolarHBondContact O-CB 3.38Å; D299-A303 PolarHBondContact O-N 3.41Å
300V87.7Confident87.2Confident9 Ų975 Ų756%0.05534%0.343CS..Hα-helixtrans-70.8-40.4175.2-173.90000110.8L53 Y65 N297 K298 I302 A303 L304L53-V300 HydrophobicContact CD1-CG1 3.91Å; Y65-V300 HydrophobicContact CE1-CG2 3.66Å; N297-V300 HydrophobicContact CB-CG2 4.08Å; N297-V300 PolarHBondContact O-N 3.23Å; K298-V300 VanDerWaalsContact C-N 3.31Å; K298-V300 PolarHBondContact O-N 3.5Å; V300-I302 VanDerWaalsContact C-N 3.32Å; V300-I302 PolarHBondContact O-N 3.19Å; V300-A303 WeakPolarHBondContact O-CB 3.29Å; V300-A303 PolarHBondContact O-N 3.04Å; V300-L304 WeakPolarHBondContact O-CB 3.44Å; V300-L304 PolarHBondContact O-N 2.91Å
301H90.5Very high86.5Confident77 Ų7777.9 Ų77.936%0.35636%0.363SS..Hα-helixtrans-60.6-41172.1-77.4-70.9000112.6I295 N297 K298 R305I295-H301 PolarHBondContact O-NE2 3.25Å; N297-H301 PolarHBondContact O-CD2 3.06Å; N297-H301 VanDerWaalsContact O-CD2 3.25Å; N297-H301 PolarHBondContact O-N 3.32Å; K298-H301 PolarHBondContact O-N 2.89Å; H301-R305 VanDerWaalsContact O-CG 3.31Å; H301-R305 WeakPolarHBondContact O-CG 3.39Å; H301-R305 PolarHBondContact O-N 3.35Å
302I91.7Very high85.6Confident78 Ų7880.8 Ų80.840%0.438%0.379SS..Hα-helixtrans-64-45.1175.5-69.6165000110.3K298 D299 V300 R305 K306K298-I302 VanDerWaalsContact O-CG1 3.29Å; K298-I302 WeakPolarHBondContact O-CG1 3.5Å; K298-I302 PolarHBondContact O-N 3.04Å; D299-I302 PolarHBondContact O-N 3.28Å; V300-I302 VanDerWaalsContact C-N 3.32Å; V300-I302 PolarHBondContact O-N 3.19Å; I302-R305 PolarHBondContact O-N 2.73Å; I302-K306 HydrophobicContact CG2-CD 4.18Å; I302-K306 WeakPolarHBondContact O-CB 3.42Å; I302-K306 WeakPolarHBondContact O-CG 3.35Å; I302-K306 PolarHBondContact O-N 3.2Å
303A91.1Very high84.2Confident0 Ų087.9 Ų87.90%041%0.41CS..Hα-helixtrans-59.6-48.6176.500000111.6L53 N57 L60 D299 V300 R305 K306 T307L53-A303 HydrophobicContact CD2-CB 4.43Å; N57-A303 HydrophobicContact CB-CB 4.06Å; L60-A303 HydrophobicContact CD1-CB 3.64Å; L60-A303 HydrophobicContact CG-CB 4.23Å; D299-A303 WeakPolarHBondContact O-CB 3.38Å; D299-A303 PolarHBondContact O-N 3.41Å; V300-A303 WeakPolarHBondContact O-CB 3.29Å; V300-A303 PolarHBondContact O-N 3.04Å; A303-R305 PolarHBondContact O-N 2.91Å; A303-K306 PolarHBondContact O-N 2.91Å; A303-K306 VanDerWaalsContact O-N 3.16Å; A303-T307 PolarHBondContact O-N 3.14Å; A303-T307 PolarHBondContact O-OG1 3.18Å; A303-T307 VanDerWaalsContact O-OG1 3.06Å
304L92Very high82.4Confident76 Ų7697 Ų9740%0.39846%0.457SS..Hα-helixtrans-57.3-48.3177.7-178.762.4000111.6L53 V300 K306 T307 L308L53-L304 HydrophobicContact CD1-CB 4.34Å; L53-L304 HydrophobicContact CD1-CD1 4.43Å; L53-L304 HydrophobicContact CD2-CB 4.41Å; L53-L304 HydrophobicContact CD2-CD1 4.35Å; V300-L304 WeakPolarHBondContact O-CB 3.44Å; V300-L304 PolarHBondContact O-N 2.91Å; L304-K306 VanDerWaalsContact C-N 3.35Å; L304-K306 PolarHBondContact O-N 2.88Å; L304-T307 PolarHBondContact O-N 3.48Å; L304-L308 HydrophobicContact CD1-CD1 3.98Å; L304-L308 HydrophobicContact CD1-CG 4.14Å; L304-L308 HydrophobicContact CG-CD1 3.95Å; L304-L308 HydrophobicContact CG-CG 4.48Å; L304-L308 WeakPolarHBondContact O-CB 3.33Å; L304-L308 VanDerWaalsContact O-CG 3.3Å; L304-L308 WeakPolarHBondContact O-CG 3.35Å; L304-L308 PolarHBondContact O-N 3.07Å
305R92.3Very high82.5Confident175 Ų175101.2 Ų101.266%0.6648%0.475SS*.Hα-helixtrans-61.2-41176.7-72.3176-175.8-171.91.5112.5H301 I302 A303 K309H301-R305 VanDerWaalsContact O-CG 3.31Å; H301-R305 WeakPolarHBondContact O-CG 3.39Å; H301-R305 PolarHBondContact O-N 3.35Å; I302-R305 PolarHBondContact O-N 2.73Å; A303-R305 PolarHBondContact O-N 2.91Å; R305-K309 WeakPolarHBondContact O-CB 3.38Å; R305-K309 VanDerWaalsContact O-CG 3.28Å; R305-K309 WeakPolarHBondContact O-CG 3.42Å; R305-K309 PolarHBondContact O-N 2.74Å
306K90.8Very high83.1Confident96 Ų96101.4 Ų101.442%0.41747%0.474SS..Hα-helixtrans-65-45.3177.4-77.6179.3-179.61780111.3I302 A303 L304 K309 K310I302-K306 HydrophobicContact CG2-CD 4.18Å; I302-K306 WeakPolarHBondContact O-CB 3.42Å; I302-K306 WeakPolarHBondContact O-CG 3.35Å; I302-K306 PolarHBondContact O-N 3.2Å; A303-K306 PolarHBondContact O-N 2.91Å; A303-K306 VanDerWaalsContact O-N 3.16Å; L304-K306 VanDerWaalsContact C-N 3.35Å; L304-K306 PolarHBondContact O-N 2.88Å; K306-K309 PolarHBondContact O-N 3.07Å; K306-K310 WeakPolarHBondContact O-CG 3.41Å; K306-K310 PolarHBondContact O-N 2Å
307T90.9Very high83.6Confident29 Ų2997.6 Ų97.618%0.17847%0.465CS..Hα-helixtrans-64.2-47179.4-57.90000111.4L53 L56 N57 A303 L304 K309 K310 S311L53-T307 HydrophobicContact CD2-CG2 4.46Å; L56-T307 HydrophobicContact CD1-CG2 3.97Å; N57-T307 PolarHBondContact ND2-OG1 3.01Å; N57-T307 VanDerWaalsContact ND2-OG1 3.15Å; A303-T307 PolarHBondContact O-N 3.14Å; A303-T307 PolarHBondContact O-OG1 3.18Å; A303-T307 VanDerWaalsContact O-OG1 3.06Å; L304-T307 PolarHBondContact O-N 3.48Å; T307-K309 VanDerWaalsContact C-N 3.34Å; T307-K309 PolarHBondContact O-N 2.65Å; T307-K310 PolarHBondContact O-N 3.28Å; T307-S311 PolarHBondContact O-N 3.21Å; T307-S311 PolarHBondContact O-OG 3.2Å
308L90.4Very high83.7Confident103 Ų103101.5 Ų101.554%0.53948%0.482SS..Hα-helixtrans-63.9-36.9178-69.9174.1000112.8L304 S311 M312L304-L308 HydrophobicContact CD1-CD1 3.98Å; L304-L308 HydrophobicContact CD1-CG 4.14Å; L304-L308 HydrophobicContact CG-CD1 3.95Å; L304-L308 HydrophobicContact CG-CG 4.48Å; L304-L308 WeakPolarHBondContact O-CB 3.33Å; L304-L308 VanDerWaalsContact O-CG 3.3Å; L304-L308 WeakPolarHBondContact O-CG 3.35Å; L304-L308 PolarHBondContact O-N 3.07Å; L308-S311 WeakPolarHBondContact CA-OG 2.95Å; L308-S311 PolarHBondContact O-N 2.94Å; L308-S311 PolarHBondContact O-OG 2.88Å; L308-M312 PolarHBondContact O-N 2.93Å
309K89Confident83.5Confident137 Ų13797.7 Ų97.760%0.59647%0.468SS*.Hα-helixtrans-63.3-46.6173-78.4-179.1179.1-169.40111R305 K306 T307 S311 M312 F313R305-K309 WeakPolarHBondContact O-CB 3.38Å; R305-K309 VanDerWaalsContact O-CG 3.28Å; R305-K309 WeakPolarHBondContact O-CG 3.42Å; R305-K309 PolarHBondContact O-N 2.74Å; K306-K309 PolarHBondContact O-N 3.07Å; T307-K309 VanDerWaalsContact C-N 3.34Å; T307-K309 PolarHBondContact O-N 2.65Å; K309-S311 VanDerWaalsContact C-N 3.32Å; K309-S311 PolarHBondContact O-N 3.5Å; K309-M312 PolarHBondContact O-N 3.06Å; K309-F313 WeakPolarHBondContact O-CD2 3.06Å; K309-F313 PolarHBondContact O-N 3.07Å
310K82.2Confident83.2Confident138 Ų138100.2 Ų100.260%0.648%0.478SS*.Hα-helixtrans-61-39.1178.3-74.4179.2178.5-176.90112.4K306 T307 M312 F313K306-K310 WeakPolarHBondContact O-CG 3.41Å; K306-K310 PolarHBondContact O-N 2Å; T307-K310 PolarHBondContact O-N 3.28Å; K310-M312 VanDerWaalsContact C-N 3.28Å; K310-M312 PolarHBondContact O-N 3.01Å; K310-F313 PolarHBondContact O-N 3.34Å
311S76.5Confident82.9Confident68 Ų68106.7 Ų106.748%0.47651%0.508SS..Hα-helixtrans-71.7-20.417862.30000113.9T307 L308 K309T307-S311 PolarHBondContact O-N 3.21Å; T307-S311 PolarHBondContact O-OG 3.2Å; L308-S311 WeakPolarHBondContact CA-OG 2.95Å; L308-S311 PolarHBondContact O-N 2.94Å; L308-S311 PolarHBondContact O-OG 2.88Å; K309-S311 VanDerWaalsContact C-N 3.32Å; K309-S311 PolarHBondContact O-N 3.5Å
312M72.2Confident82.3Confident144 Ų144109 Ų10971%0.70952%0.52SS*.Hα-helixtrans-83.7-13175.7-164.4-179.371.700112.8L308 K309 K310L308-M312 PolarHBondContact O-N 2.93Å; K309-M312 PolarHBondContact O-N 3.06Å; K310-M312 VanDerWaalsContact C-N 3.28Å; K310-M312 PolarHBondContact O-N 3.01Å
313F61Low81.5Confident170 Ų170111.6 Ų111.675%0.74653%0.53SS*.THydrogen-bonded Turntrans-98.910.2176.5-71.4-68.4000113.3K309 K310K309-F313 WeakPolarHBondContact O-CD2 3.06Å; K309-F313 PolarHBondContact O-N 3.07Å; K310-F313 PolarHBondContact O-N 3.34Å
314I49.5Very low80.6Confident203 Ų203121.7 Ų121.7100%1.04158%0.578SS**  trans-110.70168.4-59.7174.8000106.9

Retrieved 314 of 314 residues in 76 ms (Link to these results)

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