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Transportin-1

Functions in nuclear protein import as nuclear transport receptor. Serves as receptor for nuclear localization signals (NLS) in cargo substrates1. May mediate docking of the importin/substrate complex to the nuclear pore complex (NPC) through binding to nucleoporin and the complex is subsequently translocated through the pore by an energy requiring, Ran-dependent mechanism. At the nucleoplasmic side of the NPC, Ran binds to the importin, the importin/substrate complex dissociates and importin is re-exported from the nucleus to the cytoplasm where GTP hydrolysis releases Ran. The directionality of nuclear import is thought to be conferred by an asymmetric distribution of the GTP- and GDP-bound forms of Ran between the cytoplasm and nucleus (By similarity). Involved in nuclear import of M9-containing proteins. In vitro, binds directly to the M9 region of the heterogeneous nuclear ribonucleoproteins (hnRNP), A1 and A2 and mediates their nuclear import. Involved in hnRNP A1/A2 nuclear export. Mediates the nuclear import of ribosomal proteins RPL23A, RPS7 and RPL5 (By similarity). In vitro, mediates nuclear import of SRP19 (By similarity). Mediates the import of histones H2A, H2B, H3 and H42. Mediates nuclear import of ADAR/ADAR1 in a RanGTP-dependent manner (By similarity). Main mediator of PR-DUB complex component BAP1 nuclear import; acts redundantly with the karyopherins KPNA1 and KPNA2 (By similarity).

AlphaFold DB , UniProt , Accession Q8BFY9, Species MOUSE (Mus musculus, Mouse), Gene Tnpo1, Length 898 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
1M36.8Very low35.9Very low216 Ų216180.1 Ų180.1100%1.06484%0.837SS**  0118.30-89.1174.2-177.800107.2W3M1-W3 PolarHBondContact O-N 3Å; M1-W3 VanDerWaalsContact O-N 3.16Å
2V34.7Very low38.6Very low149 Ų149176.6 Ų176.690%0.90382%0.821SS**  trans-70.2106.1172.5178.30000106.2
3W35.5Very low42.1Very low222 Ų222167 Ų16784%0.84177%0.773SS**  trans-93.2124.6164-79.246.9000106.3M1 R5M1-W3 PolarHBondContact O-N 3Å; M1-W3 VanDerWaalsContact O-N 3.16Å; W3-R5 PolarHBondContact O-N 3.14Å
4D35.3Very low45.2Very low140 Ų140166.4 Ų166.475%0.74977%0.767SS**  trans-46.6121.7-171.9-141.9-13.5000111.2Q6D4-Q6 PolarHBondContact O-N 2.97Å
5R35.3Very low48.1Very low237 Ų237157.3 Ų157.389%0.89473%0.729SS**  trans-73.879.1162.9-76.9-176.1178.5-175.8-1.3106.2W3 T7W3-R5 PolarHBondContact O-N 3.14Å; R5-T7 PolarHBondContact O-N 2.7Å
6Q31.2Very low50.8Low166 Ų166152.9 Ų152.978%0.77671%0.712SS**  trans-6294.5153.3-83-176.3-12.600106.3D4 K8D4-Q6 PolarHBondContact O-N 2.97Å; Q6-K8 PolarHBondContact O-N 3.12Å
7T31.3Very low53.1Low126 Ų126153 Ų15377%0.77371%0.713SS**  trans-45.599.7148.99.90000106.3R5 M9R5-T7 PolarHBondContact O-N 2.7Å; T7-M9 PolarHBondContact O-N 3.2Å
8K35.4Very low55.1Low185 Ų185152.2 Ų152.280%0.80471%0.709SS**  trans-5893.6155.7-83.5-174.5174.2-175.50104.6Q6 E10Q6-K8 PolarHBondContact O-N 3.12Å; K8-E10 PolarHBondContact O-N 2.8Å
9M30.8Very low56.9Low154 Ų154145.2 Ų145.276%0.75968%0.682SS**  trans-62.495.1156.5-84178.8120.700104.4T7 Y11T7-M9 PolarHBondContact O-N 3.2Å; M9-Y11 PolarHBondContact O-N 3.07Å
10E42.5Very low58.7Low175 Ų175139 Ų13982%0.81865%0.653SS**  trans-61.496.8163.9-74.5176.2172.700105.9K8 E12K8-E10 PolarHBondContact O-N 2.8Å; E10-E12 PolarHBondContact O-N 3.35Å
11Y45.8Very low60.3Low211 Ų211138.9 Ų138.983%0.82765%0.653SS**  trans-63.392.8164.4-90.5-91000106.3M9 W13M9-Y11 PolarHBondContact O-N 3.07Å; Y11-W13 PolarHBondContact O-N 2.77Å
12E68Low62.9Low138 Ų138135 Ų13565%0.64563%0.632SS**  trans-62.8107.5171.4-160.1-179-165.400107.2E10 K14E10-E12 PolarHBondContact O-N 3.35Å; E12-K14 PolarHBondContact O-N 3.25Å
13W84.1Confident65.7Low52 Ų52128.4 Ų128.420%0.19759%0.591CS.*  trans-56.9134.5179.2179.394.9000109.4Y11 P15 N56 Y57 F60 F98Y11-W13 PolarHBondContact O-N 2.77Å; W13-P15 HydrophobicContact CH2-CB 3.61Å; W13-P15 HydrophobicContact CH2-CG 4.42Å; W13-P15 HydrophobicContact CZ2-CB 4.41Å; W13-P15 HydrophobicContact CZ3-CB 3.92Å; W13-P15 HydrophobicContact CZ3-CG 4.24Å; W13-N56 VanDerWaalsContact CD1-ND2 3.29Å; W13-N56 HydrophobicContact CD2-CB 3.76Å; W13-N56 VanDerWaalsContact CE2-CB 3.42Å; W13-N56 HydrophobicContact CE3-CB 4.1Å; W13-N56 HydrophobicContact CG-CB 4.38Å; W13-N56 HydrophobicContact CH2-CB 3.85Å; W13-N56 HydrophobicContact CZ2-CB 3.49Å; W13-N56 VanDerWaalsContact CZ2-CB 3.49Å; W13-N56 HydrophobicContact CZ3-CB 4.15Å; W13-N56 PolarHBondContact NE1-ND2 3.28Å; W13-Y57 AromaticContact CH2-CD1 3.88Å; W13-Y57 HydrophobicContact CH2-CD1 3.88Å; W13-Y57 AromaticContact CH2-CD2 3.97Å; W13-Y57 HydrophobicContact CH2-CD2 3.97Å; W13-Y57 HydrophobicContact CH2-CE1 4.11Å; W13-Y57 HydrophobicContact CH2-CE2 4.19Å; W13-Y57 AromaticContact CH2-CG 3.8Å; W13-Y57 HydrophobicContact CH2-CG 3.8Å; W13-Y57 HydrophobicContact CZ2-CD1 4.32Å; W13-Y57 AromaticContact CZ2-CD2 3.73Å; W13-Y57 HydrophobicContact CZ2-CD2 3.73Å; W13-Y57 HydrophobicContact CZ2-CE1 4.25Å; W13-Y57 AromaticContact CZ2-CE2 3.64Å; W13-Y57 HydrophobicContact CZ2-CE2 3.64Å; W13-Y57 HydrophobicContact CZ2-CG 4.05Å; W13-Y57 AromaticContact CZ2-CZ 3.9Å; W13-F60 HydrophobicContact CE3-CD2 4.49Å; W13-F60 HydrophobicContact CH2-CB 4.4Å; W13-F60 HydrophobicContact CZ3-CB 3.76Å; W13-F60 AromaticContact CZ3-CD2 3.91Å; W13-F60 HydrophobicContact CZ3-CD2 3.91Å; W13-F60 AromaticContact CZ3-CG 3.95Å; W13-F60 HydrophobicContact CZ3-CG 3.95Å; W13-F98 HydrophobicContact CB-CD2 4.42Å; W13-F98 HydrophobicContact CB-CE2 4.18Å; W13-F98 HydrophobicContact CB-CZ 4.33Å; W13-F98 HydrophobicContact CD2-CE1 4.39Å; W13-F98 HydrophobicContact CD2-CZ 4.46Å; W13-F98 AromaticContact CE3-CE1 3.92Å; W13-F98 HydrophobicContact CE3-CE1 3.92Å; W13-F98 AromaticContact CE3-CZ 3.82Å; W13-F98 HydrophobicContact CE3-CZ 3.82Å; W13-F98 HydrophobicContact CZ3-CE1 4.48Å
14K85.8Confident68.4Low159 Ų159118.7 Ų118.769%0.69156%0.556SS**  trans-126.7137.3175.8-68.9-174.2179.6-176.50109.2E12E12-K14 PolarHBondContact O-N 3.25Å
15P88.7Confident71.2Confident29 Ų29117 Ų11719%0.18854%0.543CS..  trans-67.1146.4176.728.6-34.2000110.7W13 L20 Y57 F60W13-P15 HydrophobicContact CH2-CB 3.61Å; W13-P15 HydrophobicContact CH2-CG 4.42Å; W13-P15 HydrophobicContact CZ2-CB 4.41Å; W13-P15 HydrophobicContact CZ3-CB 3.92Å; W13-P15 HydrophobicContact CZ3-CG 4.24Å; P15-L20 HydrophobicContact CB-CB 4.24Å; P15-L20 HydrophobicContact CB-CD2 4.34Å; P15-L20 HydrophobicContact CG-CD2 4.1Å; P15-Y57 HydrophobicContact CB-CD1 3.8Å; P15-Y57 HydrophobicContact CB-CE1 3.5Å; P15-Y57 VanDerWaalsContact CB-CE1 3.5Å; P15-F60 HydrophobicContact CG-CD1 4.03Å; P15-F60 HydrophobicContact CG-CD2 4.29Å; P15-F60 HydrophobicContact CG-CE1 3.71Å; P15-F60 HydrophobicContact CG-CE2 3.98Å; P15-F60 HydrophobicContact CG-CG 4.32Å; P15-F60 HydrophobicContact CG-CZ 3.69Å
16D91.3Very high73.9Confident88 Ų88106 Ų10647%0.47150%0.503SS..  trans-69.7132.9160176.473.6000109.5Q18 G19 L20 Y57D16-Q18 VanDerWaalsContact C-N 3.32Å; D16-Q18 PolarHBondContact O-N 3.4Å; D16-Q18 WeakPolarHBondContact OD2-CA 3.39Å; D16-Q18 WeakPolarHBondContact OD2-CB 3.29Å; D16-Q18 PolarHBondContact OD2-N 3.31Å; D16-G19 PolarHBondContact O-N 3.23Å; D16-G19 PolarHBondContact OD2-N 3.24Å; D16-L20 WeakPolarHBondContact O-CB 3.4Å; D16-L20 PolarHBondContact O-N 3.19Å; D16-Y57 WeakPolarHBondContact CB-OH 3.47Å; D16-Y57 PolarHBondContact N-OH 3.48Å; D16-Y57 VanDerWaalsContact N-OH 3.12Å
17E90.3Very high76.9Confident154 Ų15498.2 Ų98.272%0.7247%0.466SS*.Hα-helixtrans-63.9-35.2-175-71.3-174.2173.500112.6Q21E17-Q21 WeakPolarHBondContact O-CG 3.23Å; E17-Q21 PolarHBondContact O-N 2.88Å; E17-Q21 VanDerWaalsContact O-N 3.12Å
18Q89.2Confident79.8Confident139 Ų13996.6 Ų96.665%0.6545%0.448SS*.Hα-helixtrans-72.7-44.2178.1-63-175.4-0.600110.8D16 L20 Q21 Q22D16-Q18 VanDerWaalsContact C-N 3.32Å; D16-Q18 PolarHBondContact O-N 3.4Å; D16-Q18 WeakPolarHBondContact OD2-CA 3.39Å; D16-Q18 WeakPolarHBondContact OD2-CB 3.29Å; D16-Q18 PolarHBondContact OD2-N 3.31Å; Q18-L20 VanDerWaalsContact C-N 3.33Å; Q18-L20 PolarHBondContact O-N 2.89Å; Q18-Q21 PolarHBondContact O-N 3.15Å; Q18-Q22 WeakPolarHBondContact O-CG 3.23Å; Q18-Q22 PolarHBondContact O-N 2.99Å; Q18-Q22 VanDerWaalsContact O-N 3.12Å
19G88.8Confident82.4Confident18 Ų1889.9 Ų89.919%0.18642%0.42CS..Hα-helixtrans-57.9-44.5174.100000112.2D16 Q21 Q22 I23D16-G19 PolarHBondContact O-N 3.23Å; D16-G19 PolarHBondContact OD2-N 3.24Å; G19-Q21 PolarHBondContact O-N 3.19Å; G19-Q22 PolarHBondContact O-N 3.08Å; G19-I23 WeakPolarHBondContact O-CG1 3.22Å; G19-I23 PolarHBondContact O-N 3.13Å
20L92.6Very high85.3Confident22 Ų2283.8 Ų83.812%0.11539%0.392CS..Hα-helixtrans-61.9-44.4177.7-176.661.8000112.1P15 D16 Q18 Q22 I23 L24 Y57 F60 V61 L65P15-L20 HydrophobicContact CB-CB 4.24Å; P15-L20 HydrophobicContact CB-CD2 4.34Å; P15-L20 HydrophobicContact CG-CD2 4.1Å; D16-L20 WeakPolarHBondContact O-CB 3.4Å; D16-L20 PolarHBondContact O-N 3.19Å; Q18-L20 VanDerWaalsContact C-N 3.33Å; Q18-L20 PolarHBondContact O-N 2.89Å; L20-Q22 VanDerWaalsContact C-N 3.32Å; L20-Q22 PolarHBondContact O-N 2.96Å; L20-I23 PolarHBondContact O-N 3.39Å; L20-L24 HydrophobicContact CD1-CG 4.45Å; L20-L24 HydrophobicContact CG-CD1 4.21Å; L20-L24 HydrophobicContact CG-CG 4.5Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 2.89Å; L20-Y57 HydrophobicContact CB-CD1 4.32Å; L20-Y57 HydrophobicContact CB-CE1 4.33Å; L20-Y57 HydrophobicContact CD1-CD1 4.3Å; L20-F60 HydrophobicContact CD1-CD1 4.24Å; L20-F60 HydrophobicContact CD2-CE1 4.02Å; L20-V61 HydrophobicContact CD1-CG2 3.72Å; L20-L65 HydrophobicContact CD1-CD2 4.43Å; L20-L65 HydrophobicContact CD2-CD2 4.5Å
21Q92.5Very high87.4Confident136 Ų13679.6 Ų79.664%0.63637%0.373SS*.Hα-helixtrans-61.7-38.7177.1-75.6179.61.600112.6E17 Q18 G19 L24 Q25E17-Q21 WeakPolarHBondContact O-CG 3.23Å; E17-Q21 PolarHBondContact O-N 2.88Å; E17-Q21 VanDerWaalsContact O-N 3.12Å; Q18-Q21 PolarHBondContact O-N 3.15Å; G19-Q21 PolarHBondContact O-N 3.19Å; Q21-L24 PolarHBondContact O-N 3.06Å; Q21-Q25 WeakPolarHBondContact O-CB 3.48Å; Q21-Q25 PolarHBondContact O-N 3.45Å
22Q91.4Very high89.5Confident136 Ų13670.8 Ų70.864%0.63634%0.342SS*.Hα-helixtrans-64.6-41.7176-69.9178.515.800111.9Q18 G19 L20 Q25 L26Q18-Q22 WeakPolarHBondContact O-CG 3.23Å; Q18-Q22 PolarHBondContact O-N 2.99Å; Q18-Q22 VanDerWaalsContact O-N 3.12Å; G19-Q22 PolarHBondContact O-N 3.08Å; L20-Q22 VanDerWaalsContact C-N 3.32Å; L20-Q22 PolarHBondContact O-N 2.96Å; Q22-Q25 PolarHBondContact O-N 2.93Å; Q22-L26 PolarHBondContact O-N 3.48Å
23I93Very high90.3Very high9 Ų970 Ų705%0.04635%0.349CS..Hα-helixtrans-67.5-41.6177.8-67.6171.6000110.8G19 L20 Q25 L26 L27 F54 Y57 L58G19-I23 WeakPolarHBondContact O-CG1 3.22Å; G19-I23 PolarHBondContact O-N 3.13Å; L20-I23 PolarHBondContact O-N 3.39Å; I23-Q25 VanDerWaalsContact C-N 3.32Å; I23-Q25 PolarHBondContact O-N 3.41Å; I23-L26 WeakPolarHBondContact O-CB 3.4Å; I23-L26 PolarHBondContact O-N 2.9Å; I23-L26 VanDerWaalsContact O-N 3.16Å; I23-L27 HydrophobicContact CG2-CD1 4.04Å; I23-L27 HydrophobicContact CG2-CG 4.32Å; I23-L27 VanDerWaalsContact O-CG 3.3Å; I23-L27 WeakPolarHBondContact O-CG 3.41Å; I23-L27 PolarHBondContact O-N 3.2Å; I23-F54 HydrophobicContact CD1-CD2 3.79Å; I23-F54 HydrophobicContact CD1-CE2 3.9Å; I23-F54 HydrophobicContact CG1-CD2 4.36Å; I23-F54 HydrophobicContact CG1-CE2 4.03Å; I23-F54 HydrophobicContact CG2-CE2 4.4Å; I23-Y57 HydrophobicContact CD1-CD1 3.67Å; I23-Y57 HydrophobicContact CD1-CD2 3.88Å; I23-Y57 HydrophobicContact CD1-CE1 4.46Å; I23-Y57 HydrophobicContact CD1-CG 3.34Å; I23-L58 HydrophobicContact CG2-CD2 4.48Å
24L93.9Very high90.6Very high19 Ų1971 Ų7110%0.09936%0.358CS..Hα-helixtrans-61.4-41.1174.9-71.2174.4000112.3L20 Q21 L26 L27 K28 V61 L65 E68L20-L24 HydrophobicContact CD1-CG 4.45Å; L20-L24 HydrophobicContact CG-CD1 4.21Å; L20-L24 HydrophobicContact CG-CG 4.5Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.46Å; L20-L24 PolarHBondContact O-N 2.89Å; Q21-L24 PolarHBondContact O-N 3.06Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L27 PolarHBondContact O-N 2.89Å; L24-K28 WeakPolarHBondContact O-CG 3.42Å; L24-K28 PolarHBondContact O-N 3.1Å; L24-V61 HydrophobicContact CD2-CG1 4.19Å; L24-V61 HydrophobicContact CD2-CG2 4.11Å; L24-L65 HydrophobicContact CD1-CD2 3.82Å; L24-L65 HydrophobicContact CD2-CD2 3.72Å; L24-L65 HydrophobicContact CG-CD2 4.26Å; L24-E68 HydrophobicContact CD2-CG 3.75Å
25Q92.8Very high90.6Very high103 Ų10367.4 Ų67.448%0.48135%0.35SS..Hα-helixtrans-62.7-42.7174.2-178.258.631.400111.2Q21 Q22 I23 K28 E29Q21-Q25 WeakPolarHBondContact O-CB 3.48Å; Q21-Q25 PolarHBondContact O-N 3.45Å; Q22-Q25 PolarHBondContact O-N 2.93Å; I23-Q25 VanDerWaalsContact C-N 3.32Å; I23-Q25 PolarHBondContact O-N 3.41Å; Q25-K28 PolarHBondContact O-N 2.98Å; Q25-E29 WeakPolarHBondContact CG-OE1 3.43Å; Q25-E29 PolarHBondContact NE2-OE1 3.26Å; Q25-E29 WeakPolarHBondContact O-CB 3.35Å; Q25-E29 WeakPolarHBondContact O-CG 3.5Å; Q25-E29 PolarHBondContact O-N 3.31Å
26L93.3Very high90.6Very high7 Ų770.8 Ų70.84%0.03737%0.37CS..Hα-helixtrans-62.8-42.5176.3-177.168.3000112.6Q22 I23 L24 K28 E29 S30 V41 K44 L45 L48Q22-L26 PolarHBondContact O-N 3.48Å; I23-L26 WeakPolarHBondContact O-CB 3.4Å; I23-L26 PolarHBondContact O-N 2.9Å; I23-L26 VanDerWaalsContact O-N 3.16Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 3.38Å; L26-E29 PolarHBondContact O-N 3.44Å; L26-S30 WeakPolarHBondContact O-CB 3.43Å; L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 3.25Å; L26-V41 HydrophobicContact CD1-CB 4.21Å; L26-V41 HydrophobicContact CD1-CG1 4.14Å; L26-V41 HydrophobicContact CD1-CG2 4.01Å; L26-K44 HydrophobicContact CD1-CB 3.75Å; L26-K44 HydrophobicContact CD1-CD 3.63Å; L26-K44 HydrophobicContact CD1-CG 4.38Å; L26-K44 HydrophobicContact CD2-CB 4.36Å; L26-L45 HydrophobicContact CD2-CD2 3.59Å; L26-L45 HydrophobicContact CD2-CG 4.08Å; L26-L45 HydrophobicContact CG-CD2 4.4Å; L26-L48 HydrophobicContact CD2-CD1 3.38Å
27L93.3Very high90.5Very high2 Ų269.3 Ų69.31%0.0136%0.361CS..Hα-helixtrans-65.3-34.8177.4-69.1171.1000112I23 L24 S30 Q31 V61 T72 L75 I79I23-L27 HydrophobicContact CG2-CD1 4.04Å; I23-L27 HydrophobicContact CG2-CG 4.32Å; I23-L27 VanDerWaalsContact O-CG 3.3Å; I23-L27 WeakPolarHBondContact O-CG 3.41Å; I23-L27 PolarHBondContact O-N 3.2Å; L24-L27 PolarHBondContact O-N 2.89Å; L27-S30 WeakPolarHBondContact O-CB 3.14Å; L27-S30 PolarHBondContact O-N 3.41Å; L27-Q31 PolarHBondContact O-NE2 3.24Å; L27-V61 HydrophobicContact CD1-CB 4.46Å; L27-V61 HydrophobicContact CD1-CG1 3.84Å; L27-V61 HydrophobicContact CD1-CG2 4.43Å; L27-T72 HydrophobicContact CB-CG2 4.02Å; L27-T72 HydrophobicContact CD1-CG2 4.35Å; L27-L75 HydrophobicContact CD2-CG 4.39Å; L27-L75 WeakPolarHBondContact O-CD2 3.47Å; L27-I79 HydrophobicContact CD2-CD1 3.56Å
28K91.3Very high90.3Very high92 Ų9266.4 Ų66.440%0.435%0.348SS..Hα-helixtrans-70.7-40.9173.4-72.4171-177.8169.90111.4L24 Q25 L26 S30 Q31 E68L24-K28 WeakPolarHBondContact O-CG 3.42Å; L24-K28 PolarHBondContact O-N 3.1Å; Q25-K28 PolarHBondContact O-N 2.98Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 3.38Å; K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 3.21Å; K28-Q31 PolarHBondContact O-N 3.04Å; K28-E68 WeakPolarHBondContact CE-OE2 3.3Å; K28-E68 IonicContact NZ-OE1 3.88Å; K28-E68 IonicContact NZ-OE2 2.78Å; K28-E68 PolarHBondContact NZ-OE2 3.41Å
29E91.7Very high90.2Very high44 Ų4468.3 Ų68.321%0.20635%0.349CS..Hα-helixtrans-61.9-35.5172.4-76171.1-166.500112Q25 L26 Q31 S32 I37 V41 K44Q25-E29 WeakPolarHBondContact CG-OE1 3.43Å; Q25-E29 PolarHBondContact NE2-OE1 3.26Å; Q25-E29 WeakPolarHBondContact O-CB 3.35Å; Q25-E29 WeakPolarHBondContact O-CG 3.5Å; Q25-E29 PolarHBondContact O-N 3.31Å; L26-E29 PolarHBondContact O-N 3.44Å; E29-Q31 PolarHBondContact O-N 2.8Å; E29-S32 WeakPolarHBondContact O-CB 3.46Å; E29-S32 PolarHBondContact O-N 3.36Å; E29-I37 HydrophobicContact CB-CG2 3.86Å; E29-I37 HydrophobicContact CG-CG2 4.3Å; E29-I37 WeakPolarHBondContact O-CG2 3.49Å; E29-V41 HydrophobicContact CB-CG2 3.66Å; E29-K44 IonicContact OE2-NZ 3.17Å; E29-K44 PolarHBondContact OE2-NZ 3.39Å
30S90Very high90.2Very high26 Ų2670.1 Ų70.118%0.18236%0.356CS..THydrogen-bonded Turntrans-64.8-20.6179.2-57.90000113.6L26 L27 K28 S32 V41L26-S30 WeakPolarHBondContact O-CB 3.43Å; L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 3.25Å; L27-S30 WeakPolarHBondContact O-CB 3.14Å; L27-S30 PolarHBondContact O-N 3.41Å; K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 3.21Å; S30-S32 VanDerWaalsContact C-N 3.32Å; S30-V41 WeakPolarHBondContact OG-CG1 3.37Å
31Q88Confident90Very high88 Ų8869.4 Ų69.441%0.41135%0.353SS..THydrogen-bonded Turntrans-88.6-2.1176.1-65.117365.400112.4L27 K28 E29 T72 L75L27-Q31 PolarHBondContact O-NE2 3.24Å; K28-Q31 PolarHBondContact O-N 3.04Å; E29-Q31 PolarHBondContact O-N 2.8Å; Q31-T72 PolarHBondContact NE2-OG1 3.35Å; Q31-L75 HydrophobicContact CG-CD2 3.6Å
32S88.6Confident89.8Confident25 Ų2567.8 Ų67.818%0.17535%0.345CS..  trans-70.4137.3178.4-175.30000111.3E29 S30 D34 Q38E29-S32 WeakPolarHBondContact O-CB 3.46Å; E29-S32 PolarHBondContact O-N 3.36Å; S30-S32 VanDerWaalsContact C-N 3.32Å; S32-D34 PolarHBondContact O-N 3.18Å; S32-D34 WeakPolarHBondContact OG-CB 3.39Å; S32-D34 PolarHBondContact OG-N 3.16Å; S32-Q38 PolarHBondContact O-NE2 2.98Å
33P85.4Confident89.7Confident121 Ų12166.8 Ų66.879%0.78634%0.341SS*.  trans-74.5-6.8170.531.8-35.2000113.2T35P33-T35 PolarHBondContact O-N 2.92Å
34D89.6Confident89.6Confident73 Ų7370 Ų7039%0.3935%0.354SS..  trans-74.4117.5-178.9-175.2-42.3000111.6S32 T36 I37 Q38S32-D34 PolarHBondContact O-N 3.18Å; S32-D34 WeakPolarHBondContact OG-CB 3.39Å; S32-D34 PolarHBondContact OG-N 3.16Å; D34-T36 VanDerWaalsContact C-N 3.26Å; D34-T36 PolarHBondContact O-N 2.84Å; D34-T36 WeakPolarHBondContact OD1-CA 3.48Å; D34-T36 WeakPolarHBondContact OD1-CB 3.25Å; D34-T36 PolarHBondContact OD1-N 2.96Å; D34-T36 PolarHBondContact OD1-OG1 3.34Å; D34-I37 HydrophobicContact CB-CB 4.02Å; D34-I37 HydrophobicContact CB-CD1 3.82Å; D34-I37 HydrophobicContact CB-CG1 3.84Å; D34-I37 WeakPolarHBondContact O-CB 3.26Å; D34-I37 PolarHBondContact O-N 3.21Å; D34-I37 VanDerWaalsContact O-N 3.09Å; D34-I37 PolarHBondContact OD1-N 3.07Å; D34-Q38 WeakPolarHBondContact O-CG 3.39Å; D34-Q38 PolarHBondContact O-N 2.87Å
35T87.2Confident89.4Confident85 Ų8569.9 Ų69.952%0.52135%0.354SS..Hα-helixtrans-58.4-33.9-179.6-45.50000113.6P33 Q38 R39P33-T35 PolarHBondContact O-N 2.92Å; T35-Q38 PolarHBondContact O-N 3.19Å; T35-R39 WeakPolarHBondContact O-CG 3Å; T35-R39 PolarHBondContact O-N 3.01Å
36T89.2Confident89.1Confident99 Ų9970 Ų7061%0.60735%0.354SS*.Hα-helixtrans-69.9-41.1177.7-48.40000110.4D34 T40D34-T36 VanDerWaalsContact C-N 3.26Å; D34-T36 PolarHBondContact O-N 2.84Å; D34-T36 WeakPolarHBondContact OD1-CA 3.48Å; D34-T36 WeakPolarHBondContact OD1-CB 3.25Å; D34-T36 PolarHBondContact OD1-N 2.96Å; D34-T36 PolarHBondContact OD1-OG1 3.34Å; T36-T40 WeakPolarHBondContact O-CB 3.47Å; T36-T40 PolarHBondContact O-N 2.86Å; T36-T40 VanDerWaalsContact O-N 3.07Å; T36-T40 PolarHBondContact O-OG1 3.19Å
37I88.2Confident88.9Confident57 Ų5775.3 Ų75.329%0.29238%0.379SS..Hα-helixtrans-63.7-45.9173.6-61.9-178.8000109.5E29 D34 R39 T40 V41E29-I37 HydrophobicContact CB-CG2 3.86Å; E29-I37 HydrophobicContact CG-CG2 4.3Å; E29-I37 WeakPolarHBondContact O-CG2 3.49Å; D34-I37 HydrophobicContact CB-CB 4.02Å; D34-I37 HydrophobicContact CB-CD1 3.82Å; D34-I37 HydrophobicContact CB-CG1 3.84Å; D34-I37 WeakPolarHBondContact O-CB 3.26Å; D34-I37 PolarHBondContact O-N 3.21Å; D34-I37 VanDerWaalsContact O-N 3.09Å; D34-I37 PolarHBondContact OD1-N 3.07Å; I37-R39 PolarHBondContact O-N 3.28Å; I37-T40 CarbonylContact O-C 3.5Å; I37-T40 WeakPolarHBondContact O-CB 3.16Å; I37-T40 PolarHBondContact O-N 3.33Å; I37-T40 VanDerWaalsContact O-N 3.12Å; I37-V41 HydrophobicContact CG2-CG2 4.15Å; I37-V41 WeakPolarHBondContact O-CB 3.4Å; I37-V41 VanDerWaalsContact O-CG2 3.25Å; I37-V41 WeakPolarHBondContact O-CG2 3.23Å; I37-V41 PolarHBondContact O-N 3.04Å
38Q86.5Confident88.8Confident94 Ų9477.1 Ų77.144%0.43939%0.389SS..Hα-helixtrans-60.3-42178.2-70.5-177.9-0.600113.2S32 D34 T35 T40 V41 Q42S32-Q38 PolarHBondContact O-NE2 2.98Å; D34-Q38 WeakPolarHBondContact O-CG 3.39Å; D34-Q38 PolarHBondContact O-N 2.87Å; T35-Q38 PolarHBondContact O-N 3.19Å; Q38-T40 VanDerWaalsContact C-N 3.33Å; Q38-T40 PolarHBondContact O-N 3.2Å; Q38-V41 WeakPolarHBondContact O-CB 3.17Å; Q38-V41 PolarHBondContact O-N 2.93Å; Q38-Q42 WeakPolarHBondContact O-CB 3.45Å; Q38-Q42 PolarHBondContact O-N 3.37Å
39R86.5Confident88.6Confident178 Ų17874.9 Ų74.967%0.67238%0.381SS*.Hα-helixtrans-61.9-41.7173.6-76179.8-177.6179.91.6112.2T35 I37 Q42 Q43T35-R39 WeakPolarHBondContact O-CG 3Å; T35-R39 PolarHBondContact O-N 3.01Å; I37-R39 PolarHBondContact O-N 3.28Å; R39-Q42 PolarHBondContact O-N 3.42Å; R39-Q43 WeakPolarHBondContact O-CG 3.37Å; R39-Q43 PolarHBondContact O-N 3.18Å; R39-Q43 VanDerWaalsContact O-N 3.1Å
40T88.9Confident88.2Confident56 Ų5680.2 Ų80.234%0.34441%0.406SS..Hα-helixtrans-66.2-41.6177.9-55.20000111T36 I37 Q38 Q43 K44T36-T40 WeakPolarHBondContact O-CB 3.47Å; T36-T40 PolarHBondContact O-N 2.86Å; T36-T40 VanDerWaalsContact O-N 3.07Å; T36-T40 PolarHBondContact O-OG1 3.19Å; I37-T40 CarbonylContact O-C 3.5Å; I37-T40 WeakPolarHBondContact O-CB 3.16Å; I37-T40 PolarHBondContact O-N 3.33Å; I37-T40 VanDerWaalsContact O-N 3.12Å; Q38-T40 VanDerWaalsContact C-N 3.33Å; Q38-T40 PolarHBondContact O-N 3.2Å; T40-Q43 PolarHBondContact O-N 3.24Å; T40-K44 HydrophobicContact CG2-CD 4.39Å; T40-K44 WeakPolarHBondContact O-CB 3.33Å; T40-K44 WeakPolarHBondContact O-CG 3.3Å; T40-K44 PolarHBondContact O-N 3.38Å
41V89.3Confident88.1Confident8 Ų885.6 Ų85.65%0.04842%0.423CS..Hα-helixtrans-59.2-48.6174.41640000110.4L26 E29 S30 I37 Q38 Q43 K44 L45L26-V41 HydrophobicContact CD1-CB 4.21Å; L26-V41 HydrophobicContact CD1-CG1 4.14Å; L26-V41 HydrophobicContact CD1-CG2 4.01Å; E29-V41 HydrophobicContact CB-CG2 3.66Å; S30-V41 WeakPolarHBondContact OG-CG1 3.37Å; I37-V41 HydrophobicContact CG2-CG2 4.15Å; I37-V41 WeakPolarHBondContact O-CB 3.4Å; I37-V41 VanDerWaalsContact O-CG2 3.25Å; I37-V41 WeakPolarHBondContact O-CG2 3.23Å; I37-V41 PolarHBondContact O-N 3.04Å; Q38-V41 WeakPolarHBondContact O-CB 3.17Å; Q38-V41 PolarHBondContact O-N 2.93Å; V41-Q43 PolarHBondContact O-N 3.3Å; V41-K44 PolarHBondContact O-N 3.17Å; V41-K44 VanDerWaalsContact O-N 3.16Å; V41-L45 HydrophobicContact CG1-CD1 3.8Å; V41-L45 HydrophobicContact CG1-CG 4.22Å; V41-L45 WeakPolarHBondContact O-CB 3.37Å; V41-L45 WeakPolarHBondContact O-CG 3.29Å; V41-L45 PolarHBondContact O-N 3.1Å
42Q87.4Confident87.5Confident101 Ų10185.1 Ų85.147%0.47243%0.428SS..Hα-helixtrans-58-47.8179.5-177.960.629.500111.6Q38 R39 K44 L45 E46Q38-Q42 WeakPolarHBondContact O-CB 3.45Å; Q38-Q42 PolarHBondContact O-N 3.37Å; R39-Q42 PolarHBondContact O-N 3.42Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 3.43Å; Q42-L45 PolarHBondContact O-N 3.11Å; Q42-E46 PolarHBondContact NE2-OE1 3.06Å; Q42-E46 WeakPolarHBondContact O-CG 3.42Å; Q42-E46 PolarHBondContact O-N 2.73Å
43Q89.3Confident87.3Confident115 Ų11586.7 Ų86.754%0.53743%0.434SS..Hα-helixtrans-61.2-41.1176.2-71.6177.3-7.200112.5R39 T40 V41 E46 Q47R39-Q43 WeakPolarHBondContact O-CG 3.37Å; R39-Q43 PolarHBondContact O-N 3.18Å; R39-Q43 VanDerWaalsContact O-N 3.1Å; T40-Q43 PolarHBondContact O-N 3.24Å; V41-Q43 PolarHBondContact O-N 3.3Å; Q43-E46 PolarHBondContact O-N 3.22Å; Q43-Q47 VanDerWaalsContact O-CG 3.32Å; Q43-Q47 WeakPolarHBondContact O-CG 3.3Å; Q43-Q47 PolarHBondContact O-N 3.22Å; Q43-Q47 VanDerWaalsContact O-N 3.09Å
44K90.4Very high87.7Confident76 Ų7681.2 Ų81.233%0.3340%0.398SS..Hα-helixtrans-66.5-40.3176.3-74.8177.5-177.2175.50111.6L26 E29 T40 V41 Q42 Q47 L48L26-K44 HydrophobicContact CD1-CB 3.75Å; L26-K44 HydrophobicContact CD1-CD 3.63Å; L26-K44 HydrophobicContact CD1-CG 4.38Å; L26-K44 HydrophobicContact CD2-CB 4.36Å; E29-K44 IonicContact OE2-NZ 3.17Å; E29-K44 PolarHBondContact OE2-NZ 3.39Å; T40-K44 HydrophobicContact CG2-CD 4.39Å; T40-K44 WeakPolarHBondContact O-CB 3.33Å; T40-K44 WeakPolarHBondContact O-CG 3.3Å; T40-K44 PolarHBondContact O-N 3.38Å; V41-K44 PolarHBondContact O-N 3.17Å; V41-K44 VanDerWaalsContact O-N 3.16Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 3.43Å; K44-Q47 PolarHBondContact O-N 2.91Å; K44-L48 WeakPolarHBondContact O-CB 3.46Å; K44-L48 VanDerWaalsContact O-CG 3.31Å; K44-L48 WeakPolarHBondContact O-CG 3.43Å; K44-L48 PolarHBondContact O-N 3.49Å
45L89.9Confident87.9Confident18 Ų1878 Ų789%0.09438%0.381CS..Hα-helixtrans-62.8-43.3176.2-73.3173.9000111.3L26 V41 Q42 Q47 L48 N49 F54 I79L26-L45 HydrophobicContact CD2-CD2 3.59Å; L26-L45 HydrophobicContact CD2-CG 4.08Å; L26-L45 HydrophobicContact CG-CD2 4.4Å; V41-L45 HydrophobicContact CG1-CD1 3.8Å; V41-L45 HydrophobicContact CG1-CG 4.22Å; V41-L45 WeakPolarHBondContact O-CB 3.37Å; V41-L45 WeakPolarHBondContact O-CG 3.29Å; V41-L45 PolarHBondContact O-N 3.1Å; Q42-L45 PolarHBondContact O-N 3.11Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 3.43Å; L45-L48 PolarHBondContact O-N 2.97Å; L45-N49 WeakPolarHBondContact O-CB 3.46Å; L45-N49 PolarHBondContact O-N 3.33Å; L45-N49 PolarHBondContact O-OD1 3.49Å; L45-F54 HydrophobicContact CD2-CE1 4.36Å; L45-F54 HydrophobicContact CD2-CZ 3.89Å; L45-I79 HydrophobicContact CD1-CD1 4.23Å; L45-I79 HydrophobicContact CD2-CD1 4.15Å; L45-I79 HydrophobicContact CD2-CG2 3.98Å
46E87.5Confident88.3Confident104 Ų10474.4 Ų74.449%0.48636%0.359SS..Hα-helixtrans-60.6-39.6174.6-74.8167.9-165.700112.4Q42 Q43Q42-E46 PolarHBondContact NE2-OE1 3.06Å; Q42-E46 WeakPolarHBondContact O-CG 3.42Å; Q42-E46 PolarHBondContact O-N 2.73Å; Q43-E46 PolarHBondContact O-N 3.22Å
47Q89.6Confident88.6Confident119 Ų11970.8 Ų70.856%0.55633%0.334SS*.Hα-helixtrans-67.4-44.6174-71.1172.713.300111.9Q43 K44 L45 N49 Q50Q43-Q47 VanDerWaalsContact O-CG 3.32Å; Q43-Q47 WeakPolarHBondContact O-CG 3.3Å; Q43-Q47 PolarHBondContact O-N 3.22Å; Q43-Q47 VanDerWaalsContact O-N 3.09Å; K44-Q47 PolarHBondContact O-N 2.91Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 3.43Å; Q47-N49 VanDerWaalsContact C-N 3.3Å; Q47-N49 PolarHBondContact O-N 3.13Å; Q47-Q50 WeakPolarHBondContact O-CB 3.32Å; Q47-Q50 PolarHBondContact O-N 3.16Å
48L89.6Confident89Confident41 Ų4168 Ų6822%0.21532%0.32CS..Hα-helixtrans-66.9-31.5-179.5-73.7173.9000112.5L26 K44 L45 Q50 Y51 F54L26-L48 HydrophobicContact CD2-CD1 3.38Å; K44-L48 WeakPolarHBondContact O-CB 3.46Å; K44-L48 VanDerWaalsContact O-CG 3.31Å; K44-L48 WeakPolarHBondContact O-CG 3.43Å; K44-L48 PolarHBondContact O-N 3.49Å; L45-L48 PolarHBondContact O-N 2.97Å; L48-Q50 PolarHBondContact O-N 2.77Å; L48-Q50 VanDerWaalsContact O-N 3.11Å; L48-Y51 HydrophobicContact CD2-CD2 4.41Å; L48-Y51 WeakPolarHBondContact O-CB 3.33Å; L48-Y51 PolarHBondContact O-N 2.85Å; L48-F54 HydrophobicContact CB-CD1 3.85Å; L48-F54 HydrophobicContact CB-CD2 3.84Å; L48-F54 HydrophobicContact CB-CE1 3.83Å; L48-F54 HydrophobicContact CB-CE2 3.84Å; L48-F54 HydrophobicContact CB-CG 3.86Å; L48-F54 HydrophobicContact CB-CZ 3.83Å; L48-F54 HydrophobicContact CD1-CD2 4.24Å; L48-F54 HydrophobicContact CD1-CE2 3.68Å; L48-F54 HydrophobicContact CD1-CZ 3.99Å; L48-F54 HydrophobicContact CG-CD2 4.43Å; L48-F54 HydrophobicContact CG-CE2 4.3Å; L48-F54 VanDerWaalsContact O-CB 3.27Å; L48-F54 WeakPolarHBondContact O-CB 3.42Å
49N87.3Confident89.5Confident44 Ų4463.6 Ų63.624%0.23530%0.299CS..THydrogen-bonded Turntrans-61.8-15.8174.6-77.5-9.5000113.9L45 Q47 Y51 F54 N83L45-N49 WeakPolarHBondContact O-CB 3.46Å; L45-N49 PolarHBondContact O-N 3.33Å; L45-N49 PolarHBondContact O-OD1 3.49Å; Q47-N49 VanDerWaalsContact C-N 3.3Å; Q47-N49 PolarHBondContact O-N 3.13Å; N49-Y51 VanDerWaalsContact C-N 3.3Å; N49-F54 VanDerWaalsContact OD1-CD1 3.3Å; N49-F54 WeakPolarHBondContact OD1-CD1 3.46Å; N49-F54 WeakPolarHBondContact OD1-CE1 3.48Å; N49-N83 PolarHBondContact ND2-OD1 3.49Å; N49-N83 VanDerWaalsContact OD1-CG 3.24Å; N49-N83 PolarHBondContact OD1-ND2 3.32Å; N49-N83 PolarHBondContact OD1-OD1 3.25Å
50Q84.8Confident89.9Confident156 Ų15656.7 Ų56.773%0.72927%0.274SS*.THydrogen-bonded Turntrans-77-17.3173.1-57.2179.61200112.8Q47 L48Q47-Q50 WeakPolarHBondContact O-CB 3.32Å; Q47-Q50 PolarHBondContact O-N 3.16Å; L48-Q50 PolarHBondContact O-N 2.77Å; L48-Q50 VanDerWaalsContact O-N 3.11Å
51Y87Confident90.3Very high139 Ų13954 Ų5455%0.54526%0.258SS..SBendtrans-88.5124.2179.2-65.7-90.1000110.5L48 N49 D53 F54L48-Y51 HydrophobicContact CD2-CD2 4.41Å; L48-Y51 WeakPolarHBondContact O-CB 3.33Å; L48-Y51 PolarHBondContact O-N 2.85Å; N49-Y51 VanDerWaalsContact C-N 3.3Å; Y51-D53 PolarHBondContact O-N 2.79Å; Y51-F54 WeakPolarHBondContact O-CB 3.47Å; Y51-F54 PolarHBondContact O-N 3.45Å
52P74.8Confident90.7Very high79 Ų7953.6 Ų53.651%0.51326%0.255SS..THydrogen-bonded Turntrans-61.8-29.5-172.920-30.3000113.7P92 V95P52-P92 HydrophobicContact CB-CG 3.69Å; P52-V95 WeakPolarHBondContact O-CG2 3.29Å
53D85.2Confident91.1Very high58 Ų5848.9 Ų48.931%0.3123%0.233SC..THydrogen-bonded Turntrans-93.2-4.5-17864.9-29.4000114Y51 N55 N56 Y57Y51-D53 PolarHBondContact O-N 2.79Å; D53-N55 PolarHBondContact O-N 3.44Å; D53-N56 WeakPolarHBondContact O-CA 3.39Å; D53-N56 VanDerWaalsContact O-CB 3.26Å; D53-N56 WeakPolarHBondContact O-CB 3.36Å; D53-N56 PolarHBondContact O-N 3.5Å; D53-Y57 VanDerWaalsContact O-CD2 3.31Å; D53-Y57 WeakPolarHBondContact O-CD2 3.39Å; D53-Y57 PolarHBondContact O-N 3.27Å
54F93Very high91.3Very high5 Ų547 Ų472%0.02222%0.223CC..Hα-helixtrans-54.2-40.6178.1175.8-127.4000112.2I23 L45 L48 N49 Y51 N56 Y57 L58I23-F54 HydrophobicContact CD1-CD2 3.79Å; I23-F54 HydrophobicContact CD1-CE2 3.9Å; I23-F54 HydrophobicContact CG1-CD2 4.36Å; I23-F54 HydrophobicContact CG1-CE2 4.03Å; I23-F54 HydrophobicContact CG2-CE2 4.4Å; L45-F54 HydrophobicContact CD2-CE1 4.36Å; L45-F54 HydrophobicContact CD2-CZ 3.89Å; L48-F54 HydrophobicContact CB-CD1 3.85Å; L48-F54 HydrophobicContact CB-CD2 3.84Å; L48-F54 HydrophobicContact CB-CE1 3.83Å; L48-F54 HydrophobicContact CB-CE2 3.84Å; L48-F54 HydrophobicContact CB-CG 3.86Å; L48-F54 HydrophobicContact CB-CZ 3.83Å; L48-F54 HydrophobicContact CD1-CD2 4.24Å; L48-F54 HydrophobicContact CD1-CE2 3.68Å; L48-F54 HydrophobicContact CD1-CZ 3.99Å; L48-F54 HydrophobicContact CG-CD2 4.43Å; L48-F54 HydrophobicContact CG-CE2 4.3Å; L48-F54 VanDerWaalsContact O-CB 3.27Å; L48-F54 WeakPolarHBondContact O-CB 3.42Å; N49-F54 VanDerWaalsContact OD1-CD1 3.3Å; N49-F54 WeakPolarHBondContact OD1-CD1 3.46Å; N49-F54 WeakPolarHBondContact OD1-CE1 3.48Å; Y51-F54 WeakPolarHBondContact O-CB 3.47Å; Y51-F54 PolarHBondContact O-N 3.45Å; F54-N56 VanDerWaalsContact C-N 3.26Å; F54-N56 PolarHBondContact O-N 2.93Å; F54-Y57 WeakPolarHBondContact O-CB 3.31Å; F54-Y57 PolarHBondContact O-N 2.91Å; F54-Y57 VanDerWaalsContact O-N 3.08Å; F54-L58 HydrophobicContact CD1-CD1 4.19Å; F54-L58 HydrophobicContact CE1-CD1 3.74Å; F54-L58 HydrophobicContact CE1-CG 4.28Å; F54-L58 HydrophobicContact CE2-CD1 4.48Å; F54-L58 HydrophobicContact CE2-CD2 4.07Å; F54-L58 HydrophobicContact CE2-CG 4.14Å; F54-L58 HydrophobicContact CZ-CD1 3.9Å; F54-L58 HydrophobicContact CZ-CD2 3.87Å; F54-L58 HydrophobicContact CZ-CG 4Å; F54-L58 PolarHBondContact O-N 3.46Å; F54-L58 VanDerWaalsContact O-N 3.14Å
55N94.6Very high91.4Very high7 Ų744.7 Ų44.74%0.03721%0.214CC..Hα-helixtrans-65.2-27.3177.4-63-52.6000113D53 L58 I59 L80 N83 F91 V95 I99D53-N55 PolarHBondContact O-N 3.44Å; N55-L58 PolarHBondContact O-N 2.93Å; N55-I59 WeakPolarHBondContact O-CG2 3.33Å; N55-I59 PolarHBondContact O-N 3.43Å; N55-I59 VanDerWaalsContact O-N 3.08Å; N55-L80 HydrophobicContact CB-CD1 3.62Å; N55-L80 WeakPolarHBondContact OD1-CD1 3.47Å; N55-N83 PolarHBondContact OD1-ND2 2.86Å; N55-F91 HydrophobicContact CB-CE2 4.2Å; N55-F91 HydrophobicContact CB-CZ 4.4Å; N55-F91 VanDerWaalsContact CG-CZ 3.5Å; N55-F91 VanDerWaalsContact ND2-CE1 3.26Å; N55-F91 WeakPolarHBondContact ND2-CE1 3.49Å; N55-F91 WeakPolarHBondContact ND2-CZ 3.4Å; N55-V95 HydrophobicContact CB-CG1 4Å; N55-I99 HydrophobicContact CB-CD1 3.9Å
56N95Very high91.5Very high9 Ų950.5 Ų50.55%0.04824%0.239CC..Hα-helixtrans-67.8-36.9172.6-68.7-8.9000111.6W13 D53 F54 I59 F60 V95 F98W13-N56 VanDerWaalsContact CD1-ND2 3.29Å; W13-N56 HydrophobicContact CD2-CB 3.76Å; W13-N56 VanDerWaalsContact CE2-CB 3.42Å; W13-N56 HydrophobicContact CE3-CB 4.1Å; W13-N56 HydrophobicContact CG-CB 4.38Å; W13-N56 HydrophobicContact CH2-CB 3.85Å; W13-N56 HydrophobicContact CZ2-CB 3.49Å; W13-N56 VanDerWaalsContact CZ2-CB 3.49Å; W13-N56 HydrophobicContact CZ3-CB 4.15Å; W13-N56 PolarHBondContact NE1-ND2 3.28Å; D53-N56 WeakPolarHBondContact O-CA 3.39Å; D53-N56 VanDerWaalsContact O-CB 3.26Å; D53-N56 WeakPolarHBondContact O-CB 3.36Å; D53-N56 PolarHBondContact O-N 3.5Å; F54-N56 VanDerWaalsContact C-N 3.26Å; F54-N56 PolarHBondContact O-N 2.93Å; N56-I59 VanDerWaalsContact O-CG2 3.28Å; N56-I59 WeakPolarHBondContact O-CG2 3.48Å; N56-F60 WeakPolarHBondContact O-CB 3.48Å; N56-F60 PolarHBondContact O-N 3.46Å; N56-V95 WeakPolarHBondContact OD1-CG1 3.46Å; N56-F98 HydrophobicContact CB-CD1 3.98Å; N56-F98 HydrophobicContact CB-CE1 3.96Å; N56-F98 WeakPolarHBondContact OD1-CD1 3.41Å
57Y95.8Very high91.8Very high22 Ų2250.2 Ų50.29%0.08625%0.248CC..Hα-helixtrans-65.7-43.3173.8-71.1-93000111.6W13 P15 D16 L20 I23 D53 F54 F60 V61W13-Y57 AromaticContact CH2-CD1 3.88Å; W13-Y57 HydrophobicContact CH2-CD1 3.88Å; W13-Y57 AromaticContact CH2-CD2 3.97Å; W13-Y57 HydrophobicContact CH2-CD2 3.97Å; W13-Y57 HydrophobicContact CH2-CE1 4.11Å; W13-Y57 HydrophobicContact CH2-CE2 4.19Å; W13-Y57 AromaticContact CH2-CG 3.8Å; W13-Y57 HydrophobicContact CH2-CG 3.8Å; W13-Y57 HydrophobicContact CZ2-CD1 4.32Å; W13-Y57 AromaticContact CZ2-CD2 3.73Å; W13-Y57 HydrophobicContact CZ2-CD2 3.73Å; W13-Y57 HydrophobicContact CZ2-CE1 4.25Å; W13-Y57 AromaticContact CZ2-CE2 3.64Å; W13-Y57 HydrophobicContact CZ2-CE2 3.64Å; W13-Y57 HydrophobicContact CZ2-CG 4.05Å; W13-Y57 AromaticContact CZ2-CZ 3.9Å; P15-Y57 HydrophobicContact CB-CD1 3.8Å; P15-Y57 HydrophobicContact CB-CE1 3.5Å; P15-Y57 VanDerWaalsContact CB-CE1 3.5Å; D16-Y57 WeakPolarHBondContact CB-OH 3.47Å; D16-Y57 PolarHBondContact N-OH 3.48Å; D16-Y57 VanDerWaalsContact N-OH 3.12Å; L20-Y57 HydrophobicContact CB-CD1 4.32Å; L20-Y57 HydrophobicContact CB-CE1 4.33Å; L20-Y57 HydrophobicContact CD1-CD1 4.3Å; I23-Y57 HydrophobicContact CD1-CD1 3.67Å; I23-Y57 HydrophobicContact CD1-CD2 3.88Å; I23-Y57 HydrophobicContact CD1-CE1 4.46Å; I23-Y57 HydrophobicContact CD1-CG 3.34Å; D53-Y57 VanDerWaalsContact O-CD2 3.31Å; D53-Y57 WeakPolarHBondContact O-CD2 3.39Å; D53-Y57 PolarHBondContact O-N 3.27Å; F54-Y57 WeakPolarHBondContact O-CB 3.31Å; F54-Y57 PolarHBondContact O-N 2.91Å; F54-Y57 VanDerWaalsContact O-N 3.08Å; Y57-F60 PolarHBondContact O-N 2.93Å; Y57-V61 WeakPolarHBondContact O-CG2 3.49Å; Y57-V61 PolarHBondContact O-N 3.42Å
58L96.5Very high92Very high0 Ų046.3 Ų46.30%023%0.23CC..Hα-helixtrans-61-47.7178.8-65.3175.9000111.7I23 F54 N55 F60 V61 L62 S76 I79 L80I23-L58 HydrophobicContact CG2-CD2 4.48Å; F54-L58 HydrophobicContact CD1-CD1 4.19Å; F54-L58 HydrophobicContact CE1-CD1 3.74Å; F54-L58 HydrophobicContact CE1-CG 4.28Å; F54-L58 HydrophobicContact CE2-CD1 4.48Å; F54-L58 HydrophobicContact CE2-CD2 4.07Å; F54-L58 HydrophobicContact CE2-CG 4.14Å; F54-L58 HydrophobicContact CZ-CD1 3.9Å; F54-L58 HydrophobicContact CZ-CD2 3.87Å; F54-L58 HydrophobicContact CZ-CG 4Å; F54-L58 PolarHBondContact O-N 3.46Å; F54-L58 VanDerWaalsContact O-N 3.14Å; N55-L58 PolarHBondContact O-N 2.93Å; L58-F60 VanDerWaalsContact C-N 3.32Å; L58-F60 PolarHBondContact O-N 3.02Å; L58-V61 PolarHBondContact O-N 3.11Å; L58-L62 PolarHBondContact O-N 3.18Å; L58-S76 PolarHBondContact O-OG 2.84Å; L58-I79 HydrophobicContact CD1-CB 4.38Å; L58-I79 HydrophobicContact CD1-CG2 3.75Å; L58-I79 HydrophobicContact CD2-CG2 4.29Å; L58-L80 HydrophobicContact CB-CB 3.98Å; L58-L80 HydrophobicContact CB-CD2 4.35Å; L58-L80 HydrophobicContact CD1-CB 3.99Å; L58-L80 HydrophobicContact CD1-CD1 4.43Å
59I96.5Very high92.2Very high0 Ų047.9 Ų47.90%024%0.239CC..Hα-helixtrans-66.1-36.5177.3-168.362.1000111.6N55 N56 V61 L62 T63 L80 F98 I99 E102 L121N55-I59 WeakPolarHBondContact O-CG2 3.33Å; N55-I59 PolarHBondContact O-N 3.43Å; N55-I59 VanDerWaalsContact O-N 3.08Å; N56-I59 VanDerWaalsContact O-CG2 3.28Å; N56-I59 WeakPolarHBondContact O-CG2 3.48Å; I59-V61 PolarHBondContact O-N 3.01Å; I59-L62 HydrophobicContact CD1-CD2 3.92Å; I59-L62 WeakPolarHBondContact O-CB 3.12Å; I59-L62 PolarHBondContact O-N 3.03Å; I59-T63 HydrophobicContact CD1-CG2 3.84Å; I59-T63 HydrophobicContact CG1-CG2 4.22Å; I59-T63 PolarHBondContact O-N 3.15Å; I59-T63 PolarHBondContact O-OG1 3.34Å; I59-L80 HydrophobicContact CB-CD2 3.72Å; I59-L80 HydrophobicContact CD1-CD2 4.13Å; I59-L80 HydrophobicContact CG1-CD2 4.43Å; I59-F98 HydrophobicContact CG2-CD1 3.76Å; I59-F98 HydrophobicContact CG2-CE1 3.52Å; I59-I99 HydrophobicContact CB-CG1 4.25Å; I59-I99 HydrophobicContact CD1-CG2 4.45Å; I59-I99 HydrophobicContact CG1-CG2 4.42Å; I59-I99 HydrophobicContact CG2-CG1 3.98Å; I59-E102 HydrophobicContact CD1-CB 4.26Å; I59-E102 HydrophobicContact CG1-CB 3.52Å; I59-E102 HydrophobicContact CG1-CG 4.23Å; I59-L121 HydrophobicContact CD1-CD2 3.85Å
60F95.9Very high92.5Very high33 Ų3350.1 Ų50.115%0.14525%0.248CC..Hα-helixtrans-62.8-41.6176.1-179.8-85.8000112.5W13 P15 L20 N56 Y57 L58 K64 L65W13-F60 HydrophobicContact CE3-CD2 4.49Å; W13-F60 HydrophobicContact CH2-CB 4.4Å; W13-F60 HydrophobicContact CZ3-CB 3.76Å; W13-F60 AromaticContact CZ3-CD2 3.91Å; W13-F60 HydrophobicContact CZ3-CD2 3.91Å; W13-F60 AromaticContact CZ3-CG 3.95Å; W13-F60 HydrophobicContact CZ3-CG 3.95Å; P15-F60 HydrophobicContact CG-CD1 4.03Å; P15-F60 HydrophobicContact CG-CD2 4.29Å; P15-F60 HydrophobicContact CG-CE1 3.71Å; P15-F60 HydrophobicContact CG-CE2 3.98Å; P15-F60 HydrophobicContact CG-CG 4.32Å; P15-F60 HydrophobicContact CG-CZ 3.69Å; L20-F60 HydrophobicContact CD1-CD1 4.24Å; L20-F60 HydrophobicContact CD2-CE1 4.02Å; N56-F60 WeakPolarHBondContact O-CB 3.48Å; N56-F60 PolarHBondContact O-N 3.46Å; Y57-F60 PolarHBondContact O-N 2.93Å; L58-F60 VanDerWaalsContact C-N 3.32Å; L58-F60 PolarHBondContact O-N 3.02Å; F60-K64 HydrophobicContact CD2-CB 3.91Å; F60-K64 HydrophobicContact CD2-CD 3.77Å; F60-K64 HydrophobicContact CD2-CG 4.31Å; F60-K64 HydrophobicContact CE2-CB 3.79Å; F60-K64 HydrophobicContact CE2-CD 3.74Å; F60-K64 HydrophobicContact CE2-CG 4.36Å; F60-K64 HydrophobicContact CG-CB 4.35Å; F60-K64 HydrophobicContact CZ-CB 4.11Å; F60-K64 PolarHBondContact O-N 3.16Å; F60-L65 HydrophobicContact CE1-CB 4.28Å; F60-L65 HydrophobicContact CE1-CD1 4.37Å; F60-L65 PolarHBondContact O-N 3.15Å; F60-L65 VanDerWaalsContact O-N 3.15Å
61V96.6Very high93Very high0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-64-44.6174.6173.60000110.1L20 L24 L27 Y57 L58 I59 T63 L65 R73L20-V61 HydrophobicContact CD1-CG2 3.72Å; L24-V61 HydrophobicContact CD2-CG1 4.19Å; L24-V61 HydrophobicContact CD2-CG2 4.11Å; L27-V61 HydrophobicContact CD1-CB 4.46Å; L27-V61 HydrophobicContact CD1-CG1 3.84Å; L27-V61 HydrophobicContact CD1-CG2 4.43Å; Y57-V61 WeakPolarHBondContact O-CG2 3.49Å; Y57-V61 PolarHBondContact O-N 3.42Å; L58-V61 PolarHBondContact O-N 3.11Å; I59-V61 PolarHBondContact O-N 3.01Å; V61-T63 PolarHBondContact O-N 3.3Å; V61-L65 HydrophobicContact CG2-CD2 4.3Å; V61-R73 WeakPolarHBondContact O-CG 3.38Å
62L97.3Very high93.3Very high0 Ų039.4 Ų39.40%021%0.209CC..Hα-helixtrans-58.4-48.7177.2179.864.8000112L58 I59 R73 S76 I114 T117 V118 L121L58-L62 PolarHBondContact O-N 3.18Å; I59-L62 HydrophobicContact CD1-CD2 3.92Å; I59-L62 WeakPolarHBondContact O-CB 3.12Å; I59-L62 PolarHBondContact O-N 3.03Å; L62-R73 VanDerWaalsContact CD1-O 3.26Å; L62-R73 WeakPolarHBondContact CD1-O 3.46Å; L62-R73 PolarHBondContact O-NE 3.35Å; L62-R73 PolarHBondContact O-NH2 3.02Å; L62-S76 PolarHBondContact N-OG 3.1Å; L62-I114 HydrophobicContact CD1-CD1 4.06Å; L62-I114 HydrophobicContact CD1-CG2 4.04Å; L62-T117 HydrophobicContact CD1-CG2 3.93Å; L62-T117 HydrophobicContact CD2-CG2 4.28Å; L62-V118 HydrophobicContact CD2-CG2 3.88Å; L62-V118 HydrophobicContact CG-CG2 4.32Å; L62-L121 HydrophobicContact CD2-CD2 4.43Å
63T95.8Very high94.4Very high1 Ų136.2 Ų36.21%0.00619%0.186CC..Hα-helixtrans-100.1-42.3-165.763.90000115.1I59 V61 E102 N106I59-T63 HydrophobicContact CD1-CG2 3.84Å; I59-T63 HydrophobicContact CG1-CG2 4.22Å; I59-T63 PolarHBondContact O-N 3.15Å; I59-T63 PolarHBondContact O-OG1 3.34Å; V61-T63 PolarHBondContact O-N 3.3Å; T63-E102 HydrophobicContact CG2-CB 4.32Å; T63-E102 PolarHBondContact OG1-OE2 2.96Å; T63-N106 VanDerWaalsContact CB-CG 3.49Å; T63-N106 WeakPolarHBondContact CB-ND2 3.45Å; T63-N106 HydrophobicContact CG2-CB 3.73Å
64K93.8Very high95Very high76 Ų7633.8 Ų33.833%0.3317%0.174SC..THydrogen-bonded Turntrans-101.9-30.9-169.1-71.3-174.3176166.30113.9F60 K66 E102F60-K64 HydrophobicContact CD2-CB 3.91Å; F60-K64 HydrophobicContact CD2-CD 3.77Å; F60-K64 HydrophobicContact CD2-CG 4.31Å; F60-K64 HydrophobicContact CE2-CB 3.79Å; F60-K64 HydrophobicContact CE2-CD 3.74Å; F60-K64 HydrophobicContact CE2-CG 4.36Å; F60-K64 HydrophobicContact CG-CB 4.35Å; F60-K64 HydrophobicContact CZ-CB 4.11Å; F60-K64 PolarHBondContact O-N 3.16Å; K64-K66 VanDerWaalsContact C-N 3.25Å; K64-K66 PolarHBondContact O-N 3.29Å; K64-E102 VanDerWaalsContact CE-CD 3.47Å; K64-E102 WeakPolarHBondContact CE-OE1 3.41Å; K64-E102 VanDerWaalsContact CE-OE2 3.26Å; K64-E102 WeakPolarHBondContact CE-OE2 3.32Å; K64-E102 IonicContact NZ-OE1 2.77Å; K64-E102 PolarHBondContact NZ-OE1 3.19Å; K64-E102 IonicContact NZ-OE2 3.66Å
65L93.4Very high95.1Very high27 Ų2735.4 Ų35.414%0.14118%0.183CC..  trans-83.564.6-174.9-162.967000112.7L20 L24 F60 V61 S67 E68L20-L65 HydrophobicContact CD1-CD2 4.43Å; L20-L65 HydrophobicContact CD2-CD2 4.5Å; L24-L65 HydrophobicContact CD1-CD2 3.82Å; L24-L65 HydrophobicContact CD2-CD2 3.72Å; L24-L65 HydrophobicContact CG-CD2 4.26Å; F60-L65 HydrophobicContact CE1-CB 4.28Å; F60-L65 HydrophobicContact CE1-CD1 4.37Å; F60-L65 PolarHBondContact O-N 3.15Å; F60-L65 VanDerWaalsContact O-N 3.15Å; V61-L65 HydrophobicContact CG2-CD2 4.3Å; L65-S67 WeakPolarHBondContact CD1-OG 3.26Å; L65-S67 PolarHBondContact O-N 3.45Å; L65-E68 HydrophobicContact CD2-CG 3.48Å; L65-E68 VanDerWaalsContact CD2-CG 3.48Å; L65-E68 HydrophobicContact CG-CG 3.88Å; L65-E68 PolarHBondContact O-N 2.93Å; L65-E68 VanDerWaalsContact O-N 3.14Å
66K92.2Very high95.2Very high140 Ų14035.1 Ų35.161%0.60918%0.181SC*.THydrogen-bonded Turntrans-66.5-3.6-178.7-59.1-171.3178.3-171.10114.7K64K64-K66 VanDerWaalsContact C-N 3.25Å; K64-K66 PolarHBondContact O-N 3.29Å
67S92.7Very high95.3Very high98 Ų9834.7 Ų34.769%0.68518%0.179SC*.THydrogen-bonded Turntrans-77.1-22.2172.354.60000113.4L65L65-S67 WeakPolarHBondContact CD1-OG 3.26Å; L65-S67 PolarHBondContact O-N 3.45Å
68E93.8Very high95.4Very high38 Ų3836.8 Ų36.818%0.17819%0.191CC..SBendtrans-86.6156.6175.5-61-64.1138.200111L24 K28 L65 R73L24-E68 HydrophobicContact CD2-CG 3.75Å; K28-E68 WeakPolarHBondContact CE-OE2 3.3Å; K28-E68 IonicContact NZ-OE1 3.88Å; K28-E68 IonicContact NZ-OE2 2.78Å; K28-E68 PolarHBondContact NZ-OE2 3.41Å; L65-E68 HydrophobicContact CD2-CG 3.48Å; L65-E68 VanDerWaalsContact CD2-CG 3.48Å; L65-E68 HydrophobicContact CG-CG 3.88Å; L65-E68 PolarHBondContact O-N 2.93Å; L65-E68 VanDerWaalsContact O-N 3.14Å; E68-R73 HydrophobicContact CB-CG 4.19Å; E68-R73 WeakPolarHBondContact O-CD 3.39Å
69D94.1Very high95.3Very high74 Ų7437.5 Ų37.540%0.39620%0.195SC..  trans-68.6155.7-179.963.595.4000113P71 T72 R73D69-P71 VanDerWaalsContact OD1-CD 3.25Å; D69-P71 WeakPolarHBondContact OD1-CD 3.48Å; D69-T72 PolarHBondContact O-N 2.73Å; D69-T72 WeakPolarHBondContact OD1-CB 3.4Å; D69-T72 PolarHBondContact OD1-N 3.28Å; D69-T72 PolarHBondContact OD1-OG1 2.72Å; D69-T72 WeakPolarHBondContact OD2-CB 3.34Å; D69-T72 PolarHBondContact OD2-OG1 3.14Å; D69-R73 WeakPolarHBondContact O-CG 3.3Å; D69-R73 PolarHBondContact O-N 2.7Å
70E94.5Very high95.3Very high91 Ų9137.5 Ų37.543%0.42520%0.195SC..Hα-helixtrans-61.1-41.9-176.1-53.1-176.6-17900113.8R73 S74 S111 L113E70-R73 PolarHBondContact O-N 3.47Å; E70-S74 VanDerWaalsContact O-CB 3.27Å; E70-S74 WeakPolarHBondContact O-CB 3.25Å; E70-S74 PolarHBondContact O-N 2.84Å; E70-S111 WeakPolarHBondContact OE2-CB 3.5Å; E70-S111 PolarHBondContact OE2-OG 2.86Å; E70-L113 HydrophobicContact CB-CD2 4.25Å
71P94.2Very high95.3Very high68 Ų6838.2 Ų38.244%0.44220%0.198SC..Hα-helixtrans-56.5-47.8172.4-27.335.2000113.7D69 R73 S74 L75D69-P71 VanDerWaalsContact OD1-CD 3.25Å; D69-P71 WeakPolarHBondContact OD1-CD 3.48Å; P71-R73 PolarHBondContact O-N 3.02Å; P71-S74 PolarHBondContact O-N 3.09Å; P71-L75 VanDerWaalsContact O-CB 3.31Å; P71-L75 WeakPolarHBondContact O-CB 3.33Å; P71-L75 PolarHBondContact O-N 3.18Å
72T94.7Very high95.2Very high1 Ų142.1 Ų42.11%0.00622%0.219CC..Hα-helixtrans-61.5-45.1178-61.90000111.7L27 Q31 D69 L75 S76L27-T72 HydrophobicContact CB-CG2 4.02Å; L27-T72 HydrophobicContact CD1-CG2 4.35Å; Q31-T72 PolarHBondContact NE2-OG1 3.35Å; D69-T72 PolarHBondContact O-N 2.73Å; D69-T72 WeakPolarHBondContact OD1-CB 3.4Å; D69-T72 PolarHBondContact OD1-N 3.28Å; D69-T72 PolarHBondContact OD1-OG1 2.72Å; D69-T72 WeakPolarHBondContact OD2-CB 3.34Å; D69-T72 PolarHBondContact OD2-OG1 3.14Å; T72-L75 PolarHBondContact O-N 2.87Å; T72-S76 PolarHBondContact O-N 3.43Å; T72-S76 VanDerWaalsContact O-N 3.14Å
73R97.3Very high95.1Very high13 Ų1342.6 Ų42.65%0.04922%0.221CC..Hα-helixtrans-62.1-47.3176.5-68.8175.460.4-154-1.8111.3V61 L62 E68 D69 E70 P71 L75 S76 G77 D109 I114V61-R73 WeakPolarHBondContact O-CG 3.38Å; L62-R73 VanDerWaalsContact CD1-O 3.26Å; L62-R73 WeakPolarHBondContact CD1-O 3.46Å; L62-R73 PolarHBondContact O-NE 3.35Å; L62-R73 PolarHBondContact O-NH2 3.02Å; E68-R73 HydrophobicContact CB-CG 4.19Å; E68-R73 WeakPolarHBondContact O-CD 3.39Å; D69-R73 WeakPolarHBondContact O-CG 3.3Å; D69-R73 PolarHBondContact O-N 2.7Å; E70-R73 PolarHBondContact O-N 3.47Å; P71-R73 PolarHBondContact O-N 3.02Å; R73-L75 PolarHBondContact O-N 2.79Å; R73-S76 WeakPolarHBondContact O-CB 3.36Å; R73-S76 PolarHBondContact O-N 3.36Å; R73-S76 PolarHBondContact O-OG 3.43Å; R73-G77 PolarHBondContact O-N 3.12Å; R73-D109 IonicContact CZ-OD2 3.82Å; R73-D109 IonicContact NH1-OD2 3.88Å; R73-D109 IonicContact NH2-OD2 2.84Å; R73-D109 PolarHBondContact NH2-OD2 2.96Å; R73-I114 HydrophobicContact CB-CD1 3.55Å
74S96.6Very high95.1Very high6 Ų642.6 Ų42.64%0.04222%0.221CC..Hα-helixtrans-61.7-43.6178.5-172.40000112.1E70 P71 S76 G77 L78 T117E70-S74 VanDerWaalsContact O-CB 3.27Å; E70-S74 WeakPolarHBondContact O-CB 3.25Å; E70-S74 PolarHBondContact O-N 2.84Å; P71-S74 PolarHBondContact O-N 3.09Å; S74-S76 VanDerWaalsContact C-N 3.29Å; S74-S76 PolarHBondContact O-N 3.18Å; S74-G77 CarbonylContact O-C 3.57Å; S74-G77 WeakPolarHBondContact O-CA 3.37Å; S74-G77 PolarHBondContact O-N 2.97Å; S74-L78 PolarHBondContact O-N 3.15Å; S74-T117 PolarHBondContact OG-OG1 3.46Å
75L96Very high95.1Very high40 Ų4045.2 Ų45.221%0.20923%0.232CC..Hα-helixtrans-58.6-40.7177-178.461.2000112.1L27 Q31 P71 T72 R73 G77 L78 I79L27-L75 HydrophobicContact CD2-CG 4.39Å; L27-L75 WeakPolarHBondContact O-CD2 3.47Å; Q31-L75 HydrophobicContact CG-CD2 3.6Å; P71-L75 VanDerWaalsContact O-CB 3.31Å; P71-L75 WeakPolarHBondContact O-CB 3.33Å; P71-L75 PolarHBondContact O-N 3.18Å; T72-L75 PolarHBondContact O-N 2.87Å; R73-L75 PolarHBondContact O-N 2.79Å; L75-G77 VanDerWaalsContact C-N 3.27Å; L75-G77 PolarHBondContact O-N 3.48Å; L75-L78 PolarHBondContact O-N 2.89Å; L75-I79 HydrophobicContact CD1-CD1 4.44Å; L75-I79 HydrophobicContact CD1-CG1 4.48Å; L75-I79 HydrophobicContact CG-CD1 4.18Å; L75-I79 WeakPolarHBondContact O-CG1 3.24Å; L75-I79 PolarHBondContact O-N 2.84Å
76S97.3Very high95Very high0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-59.3-39.9174.477.70000112.2L58 L62 T72 R73 S74 L80L58-S76 PolarHBondContact O-OG 2.84Å; L62-S76 PolarHBondContact N-OG 3.1Å; T72-S76 PolarHBondContact O-N 3.43Å; T72-S76 VanDerWaalsContact O-N 3.14Å; R73-S76 WeakPolarHBondContact O-CB 3.36Å; R73-S76 PolarHBondContact O-N 3.36Å; R73-S76 PolarHBondContact O-OG 3.43Å; S74-S76 VanDerWaalsContact C-N 3.29Å; S74-S76 PolarHBondContact O-N 3.18Å; S76-L80 WeakPolarHBondContact O-CB 3.5Å; S76-L80 PolarHBondContact O-N 3.21Å
77G97.4Very high94.9Very high0 Ų044.2 Ų44.20%024%0.241CC..Hα-helixtrans-67.7-37174.500000113.5R73 S74 L75 L80 K81R73-G77 PolarHBondContact O-N 3.12Å; S74-G77 CarbonylContact O-C 3.57Å; S74-G77 WeakPolarHBondContact O-CA 3.37Å; S74-G77 PolarHBondContact O-N 2.97Å; L75-G77 VanDerWaalsContact C-N 3.27Å; L75-G77 PolarHBondContact O-N 3.48Å; G77-L80 PolarHBondContact O-N 3.43Å; G77-K81 WeakPolarHBondContact O-CB 3.33Å; G77-K81 PolarHBondContact O-N 3.36Å
78L96.3Very high94.8Very high67 Ų6740.9 Ų40.935%0.35121%0.214SC..Hα-helixtrans-70.2-37.1176.7-67.2176.6000112.7S74 L75 K81 N82 T117S74-L78 PolarHBondContact O-N 3.15Å; L75-L78 PolarHBondContact O-N 2.89Å; L78-K81 WeakPolarHBondContact O-CB 3.13Å; L78-K81 PolarHBondContact O-N 3.36Å; L78-N82 PolarHBondContact O-N 2.67Å; L78-T117 HydrophobicContact CG-CG2 4.49Å
79I95.3Very high94.7Very high15 Ų1547.4 Ų47.48%0.07724%0.244CC..Hα-helixtrans-63.3-46171-68168.1000109.5L27 L45 L58 L75 K81 N82 N83L27-I79 HydrophobicContact CD2-CD1 3.56Å; L45-I79 HydrophobicContact CD1-CD1 4.23Å; L45-I79 HydrophobicContact CD2-CD1 4.15Å; L45-I79 HydrophobicContact CD2-CG2 3.98Å; L58-I79 HydrophobicContact CD1-CB 4.38Å; L58-I79 HydrophobicContact CD1-CG2 3.75Å; L58-I79 HydrophobicContact CD2-CG2 4.29Å; L75-I79 HydrophobicContact CD1-CD1 4.44Å; L75-I79 HydrophobicContact CD1-CG1 4.48Å; L75-I79 HydrophobicContact CG-CD1 4.18Å; L75-I79 WeakPolarHBondContact O-CG1 3.24Å; L75-I79 PolarHBondContact O-N 2.84Å; I79-K81 VanDerWaalsContact C-N 3.29Å; I79-K81 PolarHBondContact O-N 3.03Å; I79-N82 WeakPolarHBondContact O-CB 3.49Å; I79-N82 PolarHBondContact O-N 3.38Å; I79-N82 VanDerWaalsContact O-N 3.07Å; I79-N83 PolarHBondContact O-N 2.9Å; I79-N83 PolarHBondContact O-OD1 3.26Å
80L96.7Very high94.5Very high0 Ų050.2 Ų50.20%026%0.259CS..Hα-helixtrans-59.8-40.8175.5-179.755.1000111.8N55 L58 I59 S76 G77 N82 N83 V84 F91 I99 L121N55-L80 HydrophobicContact CB-CD1 3.62Å; N55-L80 WeakPolarHBondContact OD1-CD1 3.47Å; L58-L80 HydrophobicContact CB-CB 3.98Å; L58-L80 HydrophobicContact CB-CD2 4.35Å; L58-L80 HydrophobicContact CD1-CB 3.99Å; L58-L80 HydrophobicContact CD1-CD1 4.43Å; I59-L80 HydrophobicContact CB-CD2 3.72Å; I59-L80 HydrophobicContact CD1-CD2 4.13Å; I59-L80 HydrophobicContact CG1-CD2 4.43Å; S76-L80 WeakPolarHBondContact O-CB 3.5Å; S76-L80 PolarHBondContact O-N 3.21Å; G77-L80 PolarHBondContact O-N 3.43Å; L80-N82 VanDerWaalsContact C-N 3.31Å; L80-N82 PolarHBondContact O-N 3.42Å; L80-N83 WeakPolarHBondContact O-CB 3.3Å; L80-N83 PolarHBondContact O-N 3.27Å; L80-V84 HydrophobicContact CD1-CG2 4.37Å; L80-V84 WeakPolarHBondContact O-CG2 3.36Å; L80-V84 PolarHBondContact O-N 3.31Å; L80-F91 HydrophobicContact CD1-CE2 4.36Å; L80-I99 HydrophobicContact CD1-CD1 4.14Å; L80-I99 HydrophobicContact CD2-CG1 4.45Å; L80-I99 HydrophobicContact CD2-CG2 4.14Å; L80-L121 HydrophobicContact CD2-CD1 4.37Å; L80-L121 HydrophobicContact CD2-CD2 3.57Å; L80-L121 HydrophobicContact CG-CD1 3.95Å; L80-L121 HydrophobicContact CG-CD2 4.04Å
81K96.2Very high94.3Very high48 Ų4846.7 Ų46.721%0.20924%0.243CC..Hα-helixtrans-57.6-43.4173.2-174-128.376.4-173.40111.7G77 L78 I79 V84 K85 I120 L121 T124G77-K81 WeakPolarHBondContact O-CB 3.33Å; G77-K81 PolarHBondContact O-N 3.36Å; L78-K81 WeakPolarHBondContact O-CB 3.13Å; L78-K81 PolarHBondContact O-N 3.36Å; I79-K81 VanDerWaalsContact C-N 3.29Å; I79-K81 PolarHBondContact O-N 3.03Å; K81-V84 PolarHBondContact O-N 3.42Å; K81-K85 WeakPolarHBondContact O-CB 3.43Å; K81-K85 PolarHBondContact O-N 3.27Å; K81-I120 HydrophobicContact CD-CG2 3.69Å; K81-I120 HydrophobicContact CG-CG2 3.84Å; K81-L121 HydrophobicContact CB-CD1 4.38Å; K81-T124 HydrophobicContact CG-CG2 3.96Å; K81-T124 WeakPolarHBondContact CG-OG1 3.4Å
82N94.3Very high94.1Very high82 Ų8246.2 Ų46.244%0.43924%0.239SC..Hα-helixtrans-65.3-40.6176.5-70.8-20.6000111.7L78 I79 L80 K85 A86L78-N82 PolarHBondContact O-N 2.67Å; I79-N82 WeakPolarHBondContact O-CB 3.49Å; I79-N82 PolarHBondContact O-N 3.38Å; I79-N82 VanDerWaalsContact O-N 3.07Å; L80-N82 VanDerWaalsContact C-N 3.31Å; L80-N82 PolarHBondContact O-N 3.42Å; N82-K85 WeakPolarHBondContact O-CB 3.42Å; N82-K85 PolarHBondContact O-N 3.34Å; N82-A86 WeakPolarHBondContact O-CB 3.32Å; N82-A86 PolarHBondContact O-N 3.36Å
83N94.9Very high93.8Very high9 Ų952.4 Ų52.45%0.04827%0.272CS..Hα-helixtrans-63.9-42.4176-69.4-4.3000112.2N49 N55 I79 L80 A86 H87 F91N49-N83 PolarHBondContact ND2-OD1 3.49Å; N49-N83 VanDerWaalsContact OD1-CG 3.24Å; N49-N83 PolarHBondContact OD1-ND2 3.32Å; N49-N83 PolarHBondContact OD1-OD1 3.25Å; N55-N83 PolarHBondContact OD1-ND2 2.86Å; I79-N83 PolarHBondContact O-N 2.9Å; I79-N83 PolarHBondContact O-OD1 3.26Å; L80-N83 WeakPolarHBondContact O-CB 3.3Å; L80-N83 PolarHBondContact O-N 3.27Å; N83-A86 PolarHBondContact O-N 2.96Å; N83-H87 WeakPolarHBondContact O-CA 3.41Å; N83-H87 WeakPolarHBondContact O-CB 3.28Å; N83-H87 PolarHBondContact O-N 2.96Å; N83-F91 HydrophobicContact CB-CZ 4.01Å
84V94.9Very high93.4Very high1 Ų154.3 Ų54.31%0.00630%0.296CS..Hα-helixtrans-59.4-50171.2169.60000109.4L80 K81 A86 H87 F88 F91 L121 T124 I125 K128L80-V84 HydrophobicContact CD1-CG2 4.37Å; L80-V84 WeakPolarHBondContact O-CG2 3.36Å; L80-V84 PolarHBondContact O-N 3.31Å; K81-V84 PolarHBondContact O-N 3.42Å; V84-A86 PolarHBondContact O-N 3.38Å; V84-A86 VanDerWaalsContact O-N 3.16Å; V84-H87 PolarHBondContact O-N 3.17Å; V84-F88 HydrophobicContact CB-CD2 4.33Å; V84-F88 HydrophobicContact CG1-CB 4.15Å; V84-F88 HydrophobicContact CG1-CD2 3.68Å; V84-F88 HydrophobicContact CG1-CE2 4.41Å; V84-F88 HydrophobicContact CG1-CG 4.14Å; V84-F88 HydrophobicContact CG2-CD2 4.17Å; V84-F88 WeakPolarHBondContact O-CB 3.42Å; V84-F88 PolarHBondContact O-N 3.26Å; V84-F88 VanDerWaalsContact O-N 3.12Å; V84-F91 HydrophobicContact CG2-CE2 3.84Å; V84-F91 HydrophobicContact CG2-CZ 4.26Å; V84-L121 HydrophobicContact CG2-CD1 3.96Å; V84-T124 HydrophobicContact CB-CG2 4.2Å; V84-T124 HydrophobicContact CG1-CG2 3.69Å; V84-I125 HydrophobicContact CG1-CB 4.48Å; V84-I125 HydrophobicContact CG1-CG1 3.78Å; V84-I125 HydrophobicContact CG2-CG1 4.01Å; V84-K128 HydrophobicContact CG1-CB 4.4Å
85K93.7Very high93.2Very high131 Ų13154.5 Ų54.557%0.5730%0.297SS*.Hα-helixtrans-54.6-39.1-179.9-169.8176.4178.2178.80112.8K81 N82 T124K81-K85 WeakPolarHBondContact O-CB 3.43Å; K81-K85 PolarHBondContact O-N 3.27Å; N82-K85 WeakPolarHBondContact O-CB 3.42Å; N82-K85 PolarHBondContact O-N 3.34Å; K85-T124 HydrophobicContact CB-CG2 4.3Å
86A91.1Very high93Very high66 Ų6653.3 Ų53.355%0.54529%0.291SS..Hα-helixtrans-91.1-32.8-174.800000114.7N82 N83 V84N82-A86 WeakPolarHBondContact O-CB 3.32Å; N82-A86 PolarHBondContact O-N 3.36Å; N83-A86 PolarHBondContact O-N 2.96Å; V84-A86 PolarHBondContact O-N 3.38Å; V84-A86 VanDerWaalsContact O-N 3.16Å
87H91Very high92.8Very high81 Ų8158 Ų5838%0.37532%0.316SS..Hα-helixtrans-13913-162.1-53.7-46.3000114.6N83 V84 Q89 N90 F91N83-H87 WeakPolarHBondContact O-CA 3.41Å; N83-H87 WeakPolarHBondContact O-CB 3.28Å; N83-H87 PolarHBondContact O-N 2.96Å; V84-H87 PolarHBondContact O-N 3.17Å; H87-Q89 VanDerWaalsContact C-N 3.28Å; H87-Q89 PolarHBondContact O-N 3.31Å; H87-Q89 VanDerWaalsContact O-N 3.13Å; H87-N90 WeakPolarHBondContact O-CB 3.42Å; H87-N90 PolarHBondContact O-N 3.35Å; H87-F91 HydrophobicContact CB-CE1 4.06Å; H87-F91 WeakPolarHBondContact O-CD1 3.46Å
88F91.7Very high92.6Very high27 Ų2759.4 Ų59.412%0.11832%0.323CS..G310 helixtrans-51.7-41.8-172.3-172.6-107.7000114.5V84 N90 F91 T96 I125 K128 G129V84-F88 HydrophobicContact CB-CD2 4.33Å; V84-F88 HydrophobicContact CG1-CB 4.15Å; V84-F88 HydrophobicContact CG1-CD2 3.68Å; V84-F88 HydrophobicContact CG1-CE2 4.41Å; V84-F88 HydrophobicContact CG1-CG 4.14Å; V84-F88 HydrophobicContact CG2-CD2 4.17Å; V84-F88 WeakPolarHBondContact O-CB 3.42Å; V84-F88 PolarHBondContact O-N 3.26Å; V84-F88 VanDerWaalsContact O-N 3.12Å; F88-N90 PolarHBondContact O-N 3.46Å; F88-N90 VanDerWaalsContact O-N 3.15Å; F88-F91 HydrophobicContact CD2-CD2 4.25Å; F88-F91 WeakPolarHBondContact O-CB 3.49Å; F88-F91 PolarHBondContact O-N 3.21Å; F88-F91 VanDerWaalsContact O-N 3.09Å; F88-T96 HydrophobicContact CE2-CG2 3.97Å; F88-T96 HydrophobicContact CZ-CG2 3.66Å; F88-I125 HydrophobicContact CE2-CB 4.35Å; F88-I125 HydrophobicContact CE2-CG1 4.08Å; F88-I125 HydrophobicContact CE2-CG2 3.75Å; F88-I125 HydrophobicContact CZ-CG2 3.67Å; F88-K128 HydrophobicContact CB-CB 4.07Å; F88-K128 HydrophobicContact CD1-CB 4.46Å; F88-K128 HydrophobicContact CG-CB 4.36Å; F88-G129 VanDerWaalsContact CD1-CA 3.46Å
89Q90Very high92.5Very high176 Ų17656.3 Ų56.382%0.82231%0.306SS*.G310 helixtrans-62.6-21.5-179.8-64.4-179.6-2.300113.6H87H87-Q89 VanDerWaalsContact C-N 3.28Å; H87-Q89 PolarHBondContact O-N 3.31Å; H87-Q89 VanDerWaalsContact O-N 3.13Å
90N89.8Confident92.6Very high132 Ų13257 Ų5771%0.70631%0.309SS*.G310 helixtrans-90.7-5.1-180-62-26.1000112.8H87 F88H87-N90 WeakPolarHBondContact O-CB 3.42Å; H87-N90 PolarHBondContact O-N 3.35Å; F88-N90 PolarHBondContact O-N 3.46Å; F88-N90 VanDerWaalsContact O-N 3.15Å
91F90.4Very high92.5Very high18 Ų1859.7 Ų59.78%0.07933%0.328CS..SBendtrans-70.7133.1-177.7-76.117000110.2N55 L80 N83 V84 H87 F88 N93 V95 T96 I99N55-F91 HydrophobicContact CB-CE2 4.2Å; N55-F91 HydrophobicContact CB-CZ 4.4Å; N55-F91 VanDerWaalsContact CG-CZ 3.5Å; N55-F91 VanDerWaalsContact ND2-CE1 3.26Å; N55-F91 WeakPolarHBondContact ND2-CE1 3.49Å; N55-F91 WeakPolarHBondContact ND2-CZ 3.4Å; L80-F91 HydrophobicContact CD1-CE2 4.36Å; N83-F91 HydrophobicContact CB-CZ 4.01Å; V84-F91 HydrophobicContact CG2-CE2 3.84Å; V84-F91 HydrophobicContact CG2-CZ 4.26Å; H87-F91 HydrophobicContact CB-CE1 4.06Å; H87-F91 WeakPolarHBondContact O-CD1 3.46Å; F88-F91 HydrophobicContact CD2-CD2 4.25Å; F88-F91 WeakPolarHBondContact O-CB 3.49Å; F88-F91 PolarHBondContact O-N 3.21Å; F88-F91 VanDerWaalsContact O-N 3.09Å; F91-N93 PolarHBondContact O-N 2.78Å; F91-V95 HydrophobicContact CD2-CG1 4.38Å; F91-T96 WeakPolarHBondContact CB-OG1 3.41Å; F91-I99 HydrophobicContact CD2-CD1 4.13Å; F91-I99 HydrophobicContact CE2-CD1 4.06Å
92P91Very high92.5Very high57 Ų5757.9 Ų57.937%0.3732%0.32SS..  trans-58.5139.2171.9-21.230.9000110.9P52 G94 V95 T96P52-P92 HydrophobicContact CB-CG 3.69Å; P92-G94 PolarHBondContact O-N 3.11Å; P92-G94 VanDerWaalsContact O-N 3.1Å; P92-V95 HydrophobicContact CB-CB 4.39Å; P92-V95 HydrophobicContact CB-CG2 4.08Å; P92-V95 HydrophobicContact CG-CG2 4.07Å; P92-V95 WeakPolarHBondContact O-CA 3.46Å; P92-V95 WeakPolarHBondContact O-CB 3.42Å; P92-V95 PolarHBondContact O-N 2.99Å; P92-T96 PolarHBondContact O-N 2.94Å; P92-T96 PolarHBondContact O-OG1 2.76Å
93N87.4Confident92.6Very high131 Ų13154 Ų5470%0.70130%0.299SS*.Hα-helixtrans-51.6-41.3-177.9-68.1-9.5000113.2F91 V95 T96 D97F91-N93 PolarHBondContact O-N 2.78Å; N93-V95 VanDerWaalsContact C-N 3.29Å; N93-V95 PolarHBondContact O-N 2.84Å; N93-T96 PolarHBondContact O-N 3.01Å; N93-D97 WeakPolarHBondContact O-CB 3.34Å; N93-D97 VanDerWaalsContact O-CG 3.23Å; N93-D97 PolarHBondContact O-N 3.04Å
94G89.3Confident92.7Very high53 Ų5354.5 Ų54.555%0.54630%0.302SS..Hα-helixtrans-64.5-29.3177.700000114.3P92 F98P92-G94 PolarHBondContact O-N 3.11Å; P92-G94 VanDerWaalsContact O-N 3.1Å; G94-F98 VanDerWaalsContact O-CB 3.27Å; G94-F98 WeakPolarHBondContact O-CB 3.32Å; G94-F98 PolarHBondContact O-N 3.48Å; G94-F98 VanDerWaalsContact O-N 3.15Å
95V91.6Very high92.7Very high11 Ų1159.4 Ų59.47%0.06733%0.328CS..Hα-helixtrans-75-46.4174.4169.60000109.5P52 N55 N56 F91 P92 N93 D97 F98 I99P52-V95 WeakPolarHBondContact O-CG2 3.29Å; N55-V95 HydrophobicContact CB-CG1 4Å; N56-V95 WeakPolarHBondContact OD1-CG1 3.46Å; F91-V95 HydrophobicContact CD2-CG1 4.38Å; P92-V95 HydrophobicContact CB-CB 4.39Å; P92-V95 HydrophobicContact CB-CG2 4.08Å; P92-V95 HydrophobicContact CG-CG2 4.07Å; P92-V95 WeakPolarHBondContact O-CA 3.46Å; P92-V95 WeakPolarHBondContact O-CB 3.42Å; P92-V95 PolarHBondContact O-N 2.99Å; N93-V95 VanDerWaalsContact C-N 3.29Å; N93-V95 PolarHBondContact O-N 2.84Å; V95-D97 PolarHBondContact O-N 3.35Å; V95-F98 PolarHBondContact O-N 2.89Å; V95-I99 HydrophobicContact CG1-CD1 3.68Å; V95-I99 HydrophobicContact CG1-CG1 4.49Å; V95-I99 WeakPolarHBondContact O-CD1 3.06Å; V95-I99 VanDerWaalsContact O-CG1 3.25Å; V95-I99 WeakPolarHBondContact O-CG1 3.37Å; V95-I99 PolarHBondContact O-N 3.27Å
96T92.7Very high92.8Very high14 Ų1454.4 Ų54.49%0.08631%0.308CS..Hα-helixtrans-57.3-48.5175.6-58.90000111.6F88 F91 P92 N93 F98 I99 K100F88-T96 HydrophobicContact CE2-CG2 3.97Å; F88-T96 HydrophobicContact CZ-CG2 3.66Å; F91-T96 WeakPolarHBondContact CB-OG1 3.41Å; P92-T96 PolarHBondContact O-N 2.94Å; P92-T96 PolarHBondContact O-OG1 2.76Å; N93-T96 PolarHBondContact O-N 3.01Å; T96-F98 PolarHBondContact O-N 3.05Å; T96-I99 PolarHBondContact O-N 2.98Å; T96-K100 HydrophobicContact CG2-CD 4.07Å; T96-K100 HydrophobicContact CG2-CG 4.44Å; T96-K100 WeakPolarHBondContact O-CB 3.44Å; T96-K100 VanDerWaalsContact O-CG 3.24Å; T96-K100 WeakPolarHBondContact O-CG 3.31Å; T96-K100 PolarHBondContact O-N 3.19Å
97D92.9Very high93Very high99 Ų9951.4 Ų51.453%0.52928%0.282SS..Hα-helixtrans-64.6-39.7179.3-68.6-20.6000112N93 V95 S101N93-D97 WeakPolarHBondContact O-CB 3.34Å; N93-D97 VanDerWaalsContact O-CG 3.23Å; N93-D97 PolarHBondContact O-N 3.04Å; V95-D97 PolarHBondContact O-N 3.35Å; D97-S101 VanDerWaalsContact O-CB 3.31Å; D97-S101 WeakPolarHBondContact O-CB 3.38Å; D97-S101 PolarHBondContact O-N 3.06Å
98F93.5Very high93.3Very high30 Ų3048.4 Ų48.413%0.13227%0.274CS..Hα-helixtrans-62.1-48.5175.2-178.7-110.7000111.5W13 N56 I59 G94 V95 T96 S101 E102W13-F98 HydrophobicContact CB-CD2 4.42Å; W13-F98 HydrophobicContact CB-CE2 4.18Å; W13-F98 HydrophobicContact CB-CZ 4.33Å; W13-F98 HydrophobicContact CD2-CE1 4.39Å; W13-F98 HydrophobicContact CD2-CZ 4.46Å; W13-F98 AromaticContact CE3-CE1 3.92Å; W13-F98 HydrophobicContact CE3-CE1 3.92Å; W13-F98 AromaticContact CE3-CZ 3.82Å; W13-F98 HydrophobicContact CE3-CZ 3.82Å; W13-F98 HydrophobicContact CZ3-CE1 4.48Å; N56-F98 HydrophobicContact CB-CD1 3.98Å; N56-F98 HydrophobicContact CB-CE1 3.96Å; N56-F98 WeakPolarHBondContact OD1-CD1 3.41Å; I59-F98 HydrophobicContact CG2-CD1 3.76Å; I59-F98 HydrophobicContact CG2-CE1 3.52Å; G94-F98 VanDerWaalsContact O-CB 3.27Å; G94-F98 WeakPolarHBondContact O-CB 3.32Å; G94-F98 PolarHBondContact O-N 3.48Å; G94-F98 VanDerWaalsContact O-N 3.15Å; V95-F98 PolarHBondContact O-N 2.89Å; T96-F98 PolarHBondContact O-N 3.05Å; F98-S101 PolarHBondContact O-N 2.93Å; F98-E102 HydrophobicContact CD1-CG 4.46Å; F98-E102 HydrophobicContact CD2-CG 4.25Å; F98-E102 HydrophobicContact CE1-CG 4.14Å; F98-E102 HydrophobicContact CE2-CG 3.9Å; F98-E102 HydrophobicContact CZ-CG 3.84Å; F98-E102 WeakPolarHBondContact O-CB 3.32Å; F98-E102 WeakPolarHBondContact O-CG 3.48Å; F98-E102 PolarHBondContact O-N 3.1Å
99I95.1Very high93.6Very high2 Ų247.4 Ų47.41%0.0127%0.269CS..Hα-helixtrans-61.7-47.1178.3-64.9160.1000110.8N55 I59 L80 F91 V95 T96 S101 E102 C103 L121 I125N55-I99 HydrophobicContact CB-CD1 3.9Å; I59-I99 HydrophobicContact CB-CG1 4.25Å; I59-I99 HydrophobicContact CD1-CG2 4.45Å; I59-I99 HydrophobicContact CG1-CG2 4.42Å; I59-I99 HydrophobicContact CG2-CG1 3.98Å; L80-I99 HydrophobicContact CD1-CD1 4.14Å; L80-I99 HydrophobicContact CD2-CG1 4.45Å; L80-I99 HydrophobicContact CD2-CG2 4.14Å; F91-I99 HydrophobicContact CD2-CD1 4.13Å; F91-I99 HydrophobicContact CE2-CD1 4.06Å; V95-I99 HydrophobicContact CG1-CD1 3.68Å; V95-I99 HydrophobicContact CG1-CG1 4.49Å; V95-I99 WeakPolarHBondContact O-CD1 3.06Å; V95-I99 VanDerWaalsContact O-CG1 3.25Å; V95-I99 WeakPolarHBondContact O-CG1 3.37Å; V95-I99 PolarHBondContact O-N 3.27Å; T96-I99 PolarHBondContact O-N 2.98Å; I99-S101 VanDerWaalsContact C-N 3.33Å; I99-S101 PolarHBondContact O-N 2.86Å; I99-E102 PolarHBondContact O-N 2.94Å; I99-C103 WeakPolarHBondContact O-CB 3.5Å; I99-C103 PolarHBondContact O-N 3.13Å; I99-C103 PolarHBondContact O-SG 3.22Å; I99-L121 HydrophobicContact CG2-CD2 4.17Å; I99-I125 HydrophobicContact CG2-CD1 3.7Å
100K96Very high93.8Very high28 Ų2843.5 Ų43.512%0.12226%0.261CS..Hα-helixtrans-56.1-47177.4-76.2179.4171.7-177.80111.5T96 L104 I125 N133 W134T96-K100 HydrophobicContact CG2-CD 4.07Å; T96-K100 HydrophobicContact CG2-CG 4.44Å; T96-K100 WeakPolarHBondContact O-CB 3.44Å; T96-K100 VanDerWaalsContact O-CG 3.24Å; T96-K100 WeakPolarHBondContact O-CG 3.31Å; T96-K100 PolarHBondContact O-N 3.19Å; K100-L104 WeakPolarHBondContact O-CG 3.43Å; K100-L104 PolarHBondContact O-N 3.49Å; K100-L104 VanDerWaalsContact O-N 3.16Å; K100-I125 HydrophobicContact CG-CG2 4.37Å; K100-N133 PolarHBondContact NZ-O 3.19Å; K100-W134 HydrophobicContact CB-CH2 4Å; K100-W134 HydrophobicContact CB-CZ2 3.41Å; K100-W134 VanDerWaalsContact CB-CZ2 3.41Å; K100-W134 HydrophobicContact CD-CD2 3.7Å; K100-W134 HydrophobicContact CD-CE3 4.25Å; K100-W134 HydrophobicContact CD-CG 3.97Å; K100-W134 HydrophobicContact CD-CZ2 4.1Å; K100-W134 HydrophobicContact CG-CD2 3.89Å; K100-W134 HydrophobicContact CG-CE3 4.12Å; K100-W134 HydrophobicContact CG-CH2 3.72Å; K100-W134 HydrophobicContact CG-CZ2 3.45Å; K100-W134 VanDerWaalsContact CG-CZ2 3.45Å; K100-W134 HydrophobicContact CG-CZ3 4.05Å
101S95.1Very high94.1Very high57 Ų5737.3 Ų37.340%0.39923%0.228SC..Hα-helixtrans-63.8-48.5178.7-175.30000112.1D97 F98 I99 C103 L104 N105D97-S101 VanDerWaalsContact O-CB 3.31Å; D97-S101 WeakPolarHBondContact O-CB 3.38Å; D97-S101 PolarHBondContact O-N 3.06Å; F98-S101 PolarHBondContact O-N 2.93Å; I99-S101 VanDerWaalsContact C-N 3.33Å; I99-S101 PolarHBondContact O-N 2.86Å; S101-C103 VanDerWaalsContact C-N 3.33Å; S101-C103 PolarHBondContact O-N 2.95Å; S101-L104 PolarHBondContact O-N 3.3Å; S101-N105 WeakPolarHBondContact O-CB 3.4Å; S101-N105 VanDerWaalsContact O-CG 3.22Å; S101-N105 PolarHBondContact O-N 3.45Å; S101-N105 PolarHBondContact O-ND2 3.34Å; S101-N105 VanDerWaalsContact O-ND2 3.11Å; S101-N105 PolarHBondContact OG-ND2 2.9Å
102E95.6Very high94.4Very high11 Ų1140.2 Ų40.25%0.05125%0.249CC..Hα-helixtrans-62.3-38.9179.1-73.4-63.5143.800112.4I59 T63 K64 F98 I99 N105 N106I59-E102 HydrophobicContact CD1-CB 4.26Å; I59-E102 HydrophobicContact CG1-CB 3.52Å; I59-E102 HydrophobicContact CG1-CG 4.23Å; T63-E102 HydrophobicContact CG2-CB 4.32Å; T63-E102 PolarHBondContact OG1-OE2 2.96Å; K64-E102 VanDerWaalsContact CE-CD 3.47Å; K64-E102 WeakPolarHBondContact CE-OE1 3.41Å; K64-E102 VanDerWaalsContact CE-OE2 3.26Å; K64-E102 WeakPolarHBondContact CE-OE2 3.32Å; K64-E102 IonicContact NZ-OE1 2.77Å; K64-E102 PolarHBondContact NZ-OE1 3.19Å; K64-E102 IonicContact NZ-OE2 3.66Å; F98-E102 HydrophobicContact CD1-CG 4.46Å; F98-E102 HydrophobicContact CD2-CG 4.25Å; F98-E102 HydrophobicContact CE1-CG 4.14Å; F98-E102 HydrophobicContact CE2-CG 3.9Å; F98-E102 HydrophobicContact CZ-CG 3.84Å; F98-E102 WeakPolarHBondContact O-CB 3.32Å; F98-E102 WeakPolarHBondContact O-CG 3.48Å; F98-E102 PolarHBondContact O-N 3.1Å; I99-E102 PolarHBondContact O-N 2.94Å; E102-N105 PolarHBondContact O-N 2.91Å; E102-N106 WeakPolarHBondContact O-CB 3.45Å; E102-N106 PolarHBondContact O-N 3.32Å; E102-N106 VanDerWaalsContact O-N 3.15Å; E102-N106 PolarHBondContact O-ND2 3.47Å; E102-N106 PolarHBondContact OE2-ND2 3.45Å
103C97.1Very high94.7Very high0 Ų041 Ų410%025%0.25CS..Hα-helixtrans-60.6-51.5174.2-68.80000111.5I99 S101 N105 N106 I107 V118 L121 I122I99-C103 WeakPolarHBondContact O-CB 3.5Å; I99-C103 PolarHBondContact O-N 3.13Å; I99-C103 PolarHBondContact O-SG 3.22Å; S101-C103 VanDerWaalsContact C-N 3.33Å; S101-C103 PolarHBondContact O-N 2.95Å; C103-N105 VanDerWaalsContact C-N 3.29Å; C103-N105 PolarHBondContact O-N 2.88Å; C103-N106 PolarHBondContact O-N 3.43Å; C103-I107 PolarHBondContact O-N 3.05Å; C103-V118 HydrophobicContact CB-CG1 4.11Å; C103-V118 VanDerWaalsContact O-CG1 3.28Å; C103-V118 WeakPolarHBondContact O-CG1 3.37Å; C103-L121 WeakPolarHBondContact SG-CD2 3.48Å; C103-I122 HydrophobicContact CB-CD1 4.07Å; C103-I122 HydrophobicContact CB-CG1 3.7Å
104L96.3Very high95.1Very high19 Ų1934.8 Ų34.810%0.09922%0.217CC..Hα-helixtrans-64.6-33-178.6-70.6172.4000112.8K100 S101 I122 W134 L137 K140 L141K100-L104 WeakPolarHBondContact O-CG 3.43Å; K100-L104 PolarHBondContact O-N 3.49Å; K100-L104 VanDerWaalsContact O-N 3.16Å; S101-L104 PolarHBondContact O-N 3.3Å; L104-I122 HydrophobicContact CD2-CD1 4.47Å; L104-W134 HydrophobicContact CD1-CZ2 3.84Å; L104-W134 HydrophobicContact CG-CZ2 4.01Å; L104-L137 HydrophobicContact CD2-CD1 3.85Å; L104-K140 HydrophobicContact CD1-CG 4.21Å; L104-K140 HydrophobicContact CD2-CB 4.46Å; L104-K140 HydrophobicContact CD2-CG 4.08Å; L104-L141 HydrophobicContact CD2-CD2 4.13Å
105N94.8Very high95.5Very high105 Ų10532.8 Ų32.856%0.56119%0.192SC*.Hα-helixtrans-76.3-20.6178.4-69.4-29.4000113.6S101 E102 C103S101-N105 WeakPolarHBondContact O-CB 3.4Å; S101-N105 VanDerWaalsContact O-CG 3.22Å; S101-N105 PolarHBondContact O-N 3.45Å; S101-N105 PolarHBondContact O-ND2 3.34Å; S101-N105 VanDerWaalsContact O-ND2 3.11Å; S101-N105 PolarHBondContact OG-ND2 2.9Å; E102-N105 PolarHBondContact O-N 2.91Å; C103-N105 VanDerWaalsContact C-N 3.29Å; C103-N105 PolarHBondContact O-N 2.88Å
106N96.2Very high95.7Very high26 Ų2634.4 Ų34.414%0.13921%0.207CC..Hα-helixtrans-119.112.4-174.7-65.4-88.5000113.7T63 E102 C103 G108 D109T63-N106 VanDerWaalsContact CB-CG 3.49Å; T63-N106 WeakPolarHBondContact CB-ND2 3.45Å; T63-N106 HydrophobicContact CG2-CB 3.73Å; E102-N106 WeakPolarHBondContact O-CB 3.45Å; E102-N106 PolarHBondContact O-N 3.32Å; E102-N106 VanDerWaalsContact O-N 3.15Å; E102-N106 PolarHBondContact O-ND2 3.47Å; E102-N106 PolarHBondContact OE2-ND2 3.45Å; C103-N106 PolarHBondContact O-N 3.43Å; N106-G108 PolarHBondContact O-N 2.88Å; N106-D109 PolarHBondContact O-N 2.91Å; N106-D109 VanDerWaalsContact O-N 3.12Å
107I96.4Very high95.9Very high2 Ų234 Ų341%0.0120%0.204CC..THydrogen-bonded Turntrans-62.2-23.5175.5-160.5170.3000112.8C103 R115 V118 I122 L141 L144 A156 A159C103-I107 PolarHBondContact O-N 3.05Å; I107-R115 VanDerWaalsContact O-CD 3.28Å; I107-R115 WeakPolarHBondContact O-CD 3.29Å; I107-R115 WeakPolarHBondContact O-CG 3.39Å; I107-V118 HydrophobicContact CB-CG1 4.23Å; I107-V118 HydrophobicContact CG1-CG1 4.37Å; I107-I122 HydrophobicContact CD1-CD1 3.65Å; I107-I122 HydrophobicContact CG1-CD1 4.26Å; I107-L141 HydrophobicContact CD1-CD2 3.33Å; I107-L144 HydrophobicContact CG2-CD1 3.64Å; I107-A156 HydrophobicContact CD1-CB 4.36Å; I107-A159 HydrophobicContact CD1-CB 4Å
108G96.6Very high96.2Very high19 Ų1929.2 Ų29.220%0.19618%0.179CC..THydrogen-bonded Turntrans-96.526173.900000115.2N106N106-G108 PolarHBondContact O-N 2.88Å
109D97.2Very high96.3Very high6 Ų627.9 Ų27.93%0.03217%0.173CC..  trans-52.7147.9175.8-167.9-72.6000111.3R73 N106 S111 I114 R115R73-D109 IonicContact CZ-OD2 3.82Å; R73-D109 IonicContact NH1-OD2 3.88Å; R73-D109 IonicContact NH2-OD2 2.84Å; R73-D109 PolarHBondContact NH2-OD2 2.96Å; N106-D109 PolarHBondContact O-N 2.91Å; N106-D109 VanDerWaalsContact O-N 3.12Å; D109-S111 VanDerWaalsContact C-N 3.26Å; D109-S111 PolarHBondContact O-N 3.23Å; D109-S111 PolarHBondContact OD1-N 3.24Å; D109-I114 HydrophobicContact CB-CB 4.17Å; D109-I114 HydrophobicContact CB-CG2 3.84Å; D109-R115 HydrophobicContact CB-CG 4.07Å; D109-R115 WeakPolarHBondContact O-CD 3.1Å; D109-R115 WeakPolarHBondContact O-CG 3.27Å; D109-R115 PolarHBondContact O-NH1 2.96Å
110S95.5Very high96.4Very high93 Ų9330.1 Ų30.165%0.6519%0.185SC*.SBendtrans-65.1-28.8179.948.60000113.3P112 R115S110-P112 WeakPolarHBondContact O-CD 3.17Å; S110-R115 VanDerWaalsContact C-NH1 3.34Å; S110-R115 PolarHBondContact O-NH1 3.38Å
111S96.1Very high96.4Very high2 Ų228.9 Ų28.91%0.01418%0.18CC..  trans-81.2123.4178.8169.80000111.2E70 D109 L113 I114 R115E70-S111 WeakPolarHBondContact OE2-CB 3.5Å; E70-S111 PolarHBondContact OE2-OG 2.86Å; D109-S111 VanDerWaalsContact C-N 3.26Å; D109-S111 PolarHBondContact O-N 3.23Å; D109-S111 PolarHBondContact OD1-N 3.24Å; S111-L113 PolarHBondContact O-N 3.44Å; S111-L113 PolarHBondContact OG-N 2.82Å; S111-I114 PolarHBondContact O-N 2.94Å; S111-I114 PolarHBondContact OG-N 2.7Å; S111-R115 WeakPolarHBondContact O-CG 3.47Å; S111-R115 PolarHBondContact O-N 3.38Å
112P95.8Very high96.6Very high79 Ų7926.1 Ų26.151%0.51316%0.161SC..Hα-helixtrans-58-35.5173.4-23.433.7000113.2S110 A116S110-P112 WeakPolarHBondContact O-CD 3.17Å; P112-A116 WeakPolarHBondContact O-CB 3.39Å; P112-A116 PolarHBondContact O-N 3.31Å
113L96.4Very high96.6Very high75 Ų7526 Ų2639%0.39316%0.161SC..Hα-helixtrans-63.6-46.3177.5177.561.8000110.8E70 S111 A116 T117E70-L113 HydrophobicContact CB-CD2 4.25Å; S111-L113 PolarHBondContact O-N 3.44Å; S111-L113 PolarHBondContact OG-N 2.82Å; L113-A116 PolarHBondContact O-N 3.41Å; L113-T117 PolarHBondContact O-N 2.92Å; L113-T117 PolarHBondContact O-OG1 2.8Å; L113-T117 VanDerWaalsContact O-OG1 3.08Å
114I97.3Very high96.5Very high0 Ų027 Ų270%017%0.167CC..Hα-helixtrans-67.4-42.7179-57.7-57.6000111.1L62 R73 D109 S111 A116 T117 V118L62-I114 HydrophobicContact CD1-CD1 4.06Å; L62-I114 HydrophobicContact CD1-CG2 4.04Å; R73-I114 HydrophobicContact CB-CD1 3.55Å; D109-I114 HydrophobicContact CB-CB 4.17Å; D109-I114 HydrophobicContact CB-CG2 3.84Å; S111-I114 PolarHBondContact O-N 2.94Å; S111-I114 PolarHBondContact OG-N 2.7Å; I114-A116 VanDerWaalsContact C-N 3.35Å; I114-A116 PolarHBondContact O-N 2.98Å; I114-T117 PolarHBondContact O-N 2.94Å; I114-V118 HydrophobicContact CG2-CG2 4.34Å; I114-V118 WeakPolarHBondContact O-CG2 3.46Å; I114-V118 PolarHBondContact O-N 3.41Å
115R96.7Very high96.5Very high10 Ų1026.3 Ų26.34%0.03816%0.163CC..Hα-helixtrans-58.8-45.3174.9-69.2-161-58.3-78.54.1112.3I107 D109 S110 S111 T117 V118 G119 N151 E154I107-R115 VanDerWaalsContact O-CD 3.28Å; I107-R115 WeakPolarHBondContact O-CD 3.29Å; I107-R115 WeakPolarHBondContact O-CG 3.39Å; D109-R115 HydrophobicContact CB-CG 4.07Å; D109-R115 WeakPolarHBondContact O-CD 3.1Å; D109-R115 WeakPolarHBondContact O-CG 3.27Å; D109-R115 PolarHBondContact O-NH1 2.96Å; S110-R115 VanDerWaalsContact C-NH1 3.34Å; S110-R115 PolarHBondContact O-NH1 3.38Å; S111-R115 WeakPolarHBondContact O-CG 3.47Å; S111-R115 PolarHBondContact O-N 3.38Å; R115-T117 VanDerWaalsContact C-N 3.34Å; R115-T117 PolarHBondContact O-N 3.39Å; R115-V118 PolarHBondContact O-N 3.25Å; R115-G119 PolarHBondContact O-N 2.89Å; R115-N151 VanDerWaalsContact CD-O 3.27Å; R115-N151 WeakPolarHBondContact CD-O 3.3Å; R115-N151 PolarHBondContact NH1-OD1 3.3Å; R115-N151 VanDerWaalsContact NH1-OD1 3.16Å; R115-E154 IonicContact CZ-OE2 3.22Å; R115-E154 VanDerWaalsContact CZ-OE2 3.22Å; R115-E154 IonicContact NE-OE2 2.74Å; R115-E154 PolarHBondContact NE-OE2 2.85Å; R115-E154 IonicContact NH2-OE2 2.81Å; R115-E154 PolarHBondContact NH2-OE2 2.86Å
116A96.4Very high96.5Very high45 Ų4521.4 Ų21.437%0.37214%0.137SC..Hα-helixtrans-59.7-45.4176.800000111.4P112 L113 I114 G119 I120P112-A116 WeakPolarHBondContact O-CB 3.39Å; P112-A116 PolarHBondContact O-N 3.31Å; L113-A116 PolarHBondContact O-N 3.41Å; I114-A116 VanDerWaalsContact C-N 3.35Å; I114-A116 PolarHBondContact O-N 2.98Å; A116-G119 PolarHBondContact O-N 3.49Å; A116-I120 VanDerWaalsContact O-CG1 3.3Å; A116-I120 WeakPolarHBondContact O-CG1 3.43Å; A116-I120 PolarHBondContact O-N 3.36Å
117T97.7Very high96.3Very high5 Ų523.3 Ų23.33%0.03115%0.152CC..Hα-helixtrans-64-42.3177.5-61.90000112.6L62 S74 L78 L113 I114 R115 G119 I120 L121L62-T117 HydrophobicContact CD1-CG2 3.93Å; L62-T117 HydrophobicContact CD2-CG2 4.28Å; S74-T117 PolarHBondContact OG-OG1 3.46Å; L78-T117 HydrophobicContact CG-CG2 4.49Å; L113-T117 PolarHBondContact O-N 2.92Å; L113-T117 PolarHBondContact O-OG1 2.8Å; L113-T117 VanDerWaalsContact O-OG1 3.08Å; I114-T117 PolarHBondContact O-N 2.94Å; R115-T117 VanDerWaalsContact C-N 3.34Å; R115-T117 PolarHBondContact O-N 3.39Å; T117-G119 VanDerWaalsContact C-N 3.34Å; T117-I120 PolarHBondContact O-N 2.98Å; T117-L121 WeakPolarHBondContact O-CB 3.31Å; T117-L121 PolarHBondContact O-N 3.02Å
118V98Very high96.1Very high0 Ų027.6 Ų27.60%017%0.171CC..Hα-helixtrans-61.3-43.9173.31710000110.7L62 C103 I107 I114 R115 I120 L121 I122L62-V118 HydrophobicContact CD2-CG2 3.88Å; L62-V118 HydrophobicContact CG-CG2 4.32Å; C103-V118 HydrophobicContact CB-CG1 4.11Å; C103-V118 VanDerWaalsContact O-CG1 3.28Å; C103-V118 WeakPolarHBondContact O-CG1 3.37Å; I107-V118 HydrophobicContact CB-CG1 4.23Å; I107-V118 HydrophobicContact CG1-CG1 4.37Å; I114-V118 HydrophobicContact CG2-CG2 4.34Å; I114-V118 WeakPolarHBondContact O-CG2 3.46Å; I114-V118 PolarHBondContact O-N 3.41Å; R115-V118 PolarHBondContact O-N 3.25Å; V118-I120 PolarHBondContact O-N 3.4Å; V118-L121 PolarHBondContact O-N 3.38Å; V118-I122 HydrophobicContact CG1-CD1 4.01Å; V118-I122 WeakPolarHBondContact O-CG1 3.36Å; V118-I122 PolarHBondContact O-N 3.19Å
119G96.7Very high95.9Very high1 Ų127.3 Ų27.31%0.0117%0.168CC..Hα-helixtrans-60.4-44175.900000113.1R115 A116 T117 L121 I122 T123R115-G119 PolarHBondContact O-N 2.89Å; A116-G119 PolarHBondContact O-N 3.49Å; T117-G119 VanDerWaalsContact C-N 3.34Å; G119-L121 VanDerWaalsContact C-N 3.32Å; G119-L121 PolarHBondContact O-N 3.4Å; G119-I122 PolarHBondContact O-N 3.12Å; G119-T123 VanDerWaalsContact O-CG2 3.31Å; G119-T123 WeakPolarHBondContact O-CG2 3.48Å; G119-T123 PolarHBondContact O-N 3.02Å; G119-T123 PolarHBondContact O-OG1 2.67Å
120I96.3Very high95.6Very high50 Ų5031.8 Ų31.826%0.25619%0.189SC..Hα-helixtrans-61.7-40.2174.8-70.5163.8000111.2K81 A116 T117 V118 T123 T124 K162K81-I120 HydrophobicContact CD-CG2 3.69Å; K81-I120 HydrophobicContact CG-CG2 3.84Å; A116-I120 VanDerWaalsContact O-CG1 3.3Å; A116-I120 WeakPolarHBondContact O-CG1 3.43Å; A116-I120 PolarHBondContact O-N 3.36Å; T117-I120 PolarHBondContact O-N 2.98Å; V118-I120 PolarHBondContact O-N 3.4Å; I120-T123 PolarHBondContact O-N 2.93Å; I120-T123 PolarHBondContact O-OG1 3.04Å; I120-T124 WeakPolarHBondContact O-CB 3.34Å; I120-T124 PolarHBondContact O-N 3.01Å; I120-T124 PolarHBondContact O-OG1 3.41Å; I120-K162 HydrophobicContact CG1-CD 4.48Å
121L97.1Very high95.5Very high1 Ų127.7 Ų27.71%0.00516%0.159CC..Hα-helixtrans-67.3-43.2178.4-176.958.6000111.4I59 L62 L80 K81 V84 I99 C103 T117 V118 G119 T123 T124 I125I59-L121 HydrophobicContact CD1-CD2 3.85Å; L62-L121 HydrophobicContact CD2-CD2 4.43Å; L80-L121 HydrophobicContact CD2-CD1 4.37Å; L80-L121 HydrophobicContact CD2-CD2 3.57Å; L80-L121 HydrophobicContact CG-CD1 3.95Å; L80-L121 HydrophobicContact CG-CD2 4.04Å; K81-L121 HydrophobicContact CB-CD1 4.38Å; V84-L121 HydrophobicContact CG2-CD1 3.96Å; I99-L121 HydrophobicContact CG2-CD2 4.17Å; C103-L121 WeakPolarHBondContact SG-CD2 3.48Å; T117-L121 WeakPolarHBondContact O-CB 3.31Å; T117-L121 PolarHBondContact O-N 3.02Å; V118-L121 PolarHBondContact O-N 3.38Å; G119-L121 VanDerWaalsContact C-N 3.32Å; G119-L121 PolarHBondContact O-N 3.4Å; L121-T123 VanDerWaalsContact C-N 3.34Å; L121-T123 PolarHBondContact O-N 3.32Å; L121-T124 PolarHBondContact O-N 3.36Å; L121-I125 HydrophobicContact CD1-CD1 4.09Å; L121-I125 HydrophobicContact CD1-CG1 4.29Å; L121-I125 HydrophobicContact CG-CD1 3.95Å; L121-I125 WeakPolarHBondContact O-CB 3.29Å; L121-I125 VanDerWaalsContact O-CG1 3.26Å; L121-I125 WeakPolarHBondContact O-CG1 3.29Å; L121-I125 PolarHBondContact O-N 3.04Å
122I97.6Very high95.3Very high0 Ų031.1 Ų31.10%018%0.175CC..Hα-helixtrans-55.9-49174.1-72.5170.9000110.7C103 L104 I107 V118 G119 I125 A126 W134 L137 A159 I163C103-I122 HydrophobicContact CB-CD1 4.07Å; C103-I122 HydrophobicContact CB-CG1 3.7Å; L104-I122 HydrophobicContact CD2-CD1 4.47Å; I107-I122 HydrophobicContact CD1-CD1 3.65Å; I107-I122 HydrophobicContact CG1-CD1 4.26Å; V118-I122 HydrophobicContact CG1-CD1 4.01Å; V118-I122 WeakPolarHBondContact O-CG1 3.36Å; V118-I122 PolarHBondContact O-N 3.19Å; G119-I122 PolarHBondContact O-N 3.12Å; I122-I125 PolarHBondContact O-N 3.43Å; I122-A126 WeakPolarHBondContact O-CB 3.5Å; I122-A126 PolarHBondContact O-N 3.01Å; I122-W134 HydrophobicContact CG1-CH2 4.23Å; I122-W134 HydrophobicContact CG2-CH2 4.41Å; I122-W134 HydrophobicContact CG2-CZ3 4.32Å; I122-L137 HydrophobicContact CG2-CD1 3.68Å; I122-L137 HydrophobicContact CG2-CD2 4.09Å; I122-L137 HydrophobicContact CG2-CG 4.49Å; I122-A159 HydrophobicContact CG2-CB 4.35Å; I122-I163 HydrophobicContact CG2-CD1 4.29Å
123T95.5Very high95.1Very high9 Ų931.7 Ų31.76%0.05517%0.174CC..Hα-helixtrans-69.2-36.6-177.462.10000112.1G119 I120 L121 I125 A126 S127 K162 I163G119-T123 VanDerWaalsContact O-CG2 3.31Å; G119-T123 WeakPolarHBondContact O-CG2 3.48Å; G119-T123 PolarHBondContact O-N 3.02Å; G119-T123 PolarHBondContact O-OG1 2.67Å; I120-T123 PolarHBondContact O-N 2.93Å; I120-T123 PolarHBondContact O-OG1 3.04Å; L121-T123 VanDerWaalsContact C-N 3.34Å; L121-T123 PolarHBondContact O-N 3.32Å; T123-I125 PolarHBondContact O-N 2.94Å; T123-A126 PolarHBondContact O-N 2.98Å; T123-S127 WeakPolarHBondContact O-CB 3.42Å; T123-S127 PolarHBondContact O-N 2.88Å; T123-K162 HydrophobicContact CG2-CB 3.35Å; T123-K162 HydrophobicContact CG2-CD 4.09Å; T123-K162 HydrophobicContact CG2-CG 4.34Å; T123-I163 HydrophobicContact CG2-CG1 3.75Å
124T96Very high95Very high21 Ų2128.9 Ų28.913%0.12916%0.158CC..Hα-helixtrans-63.9-42.6174.2-52.70000111.4K81 V84 K85 I120 L121 S127 K128K81-T124 HydrophobicContact CG-CG2 3.96Å; K81-T124 WeakPolarHBondContact CG-OG1 3.4Å; V84-T124 HydrophobicContact CB-CG2 4.2Å; V84-T124 HydrophobicContact CG1-CG2 3.69Å; K85-T124 HydrophobicContact CB-CG2 4.3Å; I120-T124 WeakPolarHBondContact O-CB 3.34Å; I120-T124 PolarHBondContact O-N 3.01Å; I120-T124 PolarHBondContact O-OG1 3.41Å; L121-T124 PolarHBondContact O-N 3.36Å; T124-S127 PolarHBondContact O-N 2.72Å; T124-K128 HydrophobicContact CG2-CG 4.43Å; T124-K128 WeakPolarHBondContact O-CB 3.49Å; T124-K128 WeakPolarHBondContact O-CG 3.48Å; T124-K128 PolarHBondContact O-N 3.33Å
125I95.8Very high94.8Very high3 Ų333.1 Ų33.12%0.01519%0.186CC..Hα-helixtrans-65.1-43.2176.3-69.2167.6000110.6V84 F88 I99 K100 L121 I122 T123 G129 W134V84-I125 HydrophobicContact CG1-CB 4.48Å; V84-I125 HydrophobicContact CG1-CG1 3.78Å; V84-I125 HydrophobicContact CG2-CG1 4.01Å; F88-I125 HydrophobicContact CE2-CB 4.35Å; F88-I125 HydrophobicContact CE2-CG1 4.08Å; F88-I125 HydrophobicContact CE2-CG2 3.75Å; F88-I125 HydrophobicContact CZ-CG2 3.67Å; I99-I125 HydrophobicContact CG2-CD1 3.7Å; K100-I125 HydrophobicContact CG-CG2 4.37Å; L121-I125 HydrophobicContact CD1-CD1 4.09Å; L121-I125 HydrophobicContact CD1-CG1 4.29Å; L121-I125 HydrophobicContact CG-CD1 3.95Å; L121-I125 WeakPolarHBondContact O-CB 3.29Å; L121-I125 VanDerWaalsContact O-CG1 3.26Å; L121-I125 WeakPolarHBondContact O-CG1 3.29Å; L121-I125 PolarHBondContact O-N 3.04Å; I122-I125 PolarHBondContact O-N 3.43Å; T123-I125 PolarHBondContact O-N 2.94Å; I125-G129 WeakPolarHBondContact O-CA 3.26Å; I125-G129 PolarHBondContact O-N 3.23Å; I125-W134 HydrophobicContact CB-CE3 4.31Å; I125-W134 HydrophobicContact CB-CZ3 3.79Å; I125-W134 HydrophobicContact CD1-CZ3 4.43Å; I125-W134 HydrophobicContact CG2-CE3 3.53Å; I125-W134 HydrophobicContact CG2-CH2 4.38Å; I125-W134 HydrophobicContact CG2-CZ3 3.4Å
126A94.5Very high94.6Very high3 Ų338.2 Ų38.23%0.02521%0.214CC..Hα-helixtrans-61.6-43.1177.200000112.1I122 T123 E130 L131 L137I122-A126 WeakPolarHBondContact O-CB 3.5Å; I122-A126 PolarHBondContact O-N 3.01Å; T123-A126 PolarHBondContact O-N 2.98Å; A126-E130 CarbonylContact O-C 3.59Å; A126-E130 VanDerWaalsContact O-C 3.28Å; A126-E130 WeakPolarHBondContact O-CA 3.39Å; A126-E130 PolarHBondContact O-N 3.43Å; A126-L131 HydrophobicContact CB-CD1 4.04Å; A126-L131 PolarHBondContact O-N 3.21Å; A126-L131 VanDerWaalsContact O-N 3.15Å; A126-L137 HydrophobicContact CB-CD2 3.96Å
127S92.5Very high94.7Very high65 Ų6536.1 Ų36.146%0.45520%0.196SC..Hα-helixtrans-66.9-47.3177.9175.90000112.2T123 T124T123-S127 WeakPolarHBondContact O-CB 3.42Å; T123-S127 PolarHBondContact O-N 2.88Å; T124-S127 PolarHBondContact O-N 2.72Å
128K93.4Very high94.6Very high93 Ų9336.6 Ų36.640%0.40420%0.198SC..Hα-helixtrans-84-24.6-176.2-65.1-52.8-174.4-169.40115.1V84 F88 T124V84-K128 HydrophobicContact CG1-CB 4.4Å; F88-K128 HydrophobicContact CB-CB 4.07Å; F88-K128 HydrophobicContact CD1-CB 4.46Å; F88-K128 HydrophobicContact CG-CB 4.36Å; T124-K128 HydrophobicContact CG2-CG 4.43Å; T124-K128 WeakPolarHBondContact O-CB 3.49Å; T124-K128 WeakPolarHBondContact O-CG 3.48Å; T124-K128 PolarHBondContact O-N 3.33Å
129G91.8Very high94.5Very high12 Ų1240.5 Ų40.512%0.12422%0.224CC..Hα-helixtrans-91.5-3.6177.800000114.6F88 I125 N133F88-G129 VanDerWaalsContact CD1-CA 3.46Å; I125-G129 WeakPolarHBondContact O-CA 3.26Å; I125-G129 PolarHBondContact O-N 3.23Å; G129-N133 WeakPolarHBondContact O-CB 3.45Å; G129-N133 PolarHBondContact O-ND2 2.91Å
130E90.9Very high94.6Very high101 Ų10144.4 Ų44.447%0.47224%0.241SC..  trans61.4126.8-163.9-47.2167.6177.800111.9A126 Q132 N133A126-E130 CarbonylContact O-C 3.59Å; A126-E130 VanDerWaalsContact O-C 3.28Å; A126-E130 WeakPolarHBondContact O-CA 3.39Å; A126-E130 PolarHBondContact O-N 3.43Å; E130-Q132 HydrophobicContact CB-CG 4.01Å; E130-Q132 PolarHBondContact O-N 3.03Å; E130-Q132 VanDerWaalsContact O-N 3.11Å; E130-Q132 PolarHBondContact OE2-NE2 2.95Å; E130-N133 PolarHBondContact O-N 2.69Å; E130-N133 PolarHBondContact OE2-ND2 3.41Å
131L92.6Very high94.6Very high6 Ų642 Ų423%0.03123%0.228CC..G310 helixtrans-57.4-33-174.5-176.156.2000113A126 N133 W134 L137 L138 I163 I170 L171 L176A126-L131 HydrophobicContact CB-CD1 4.04Å; A126-L131 PolarHBondContact O-N 3.21Å; A126-L131 VanDerWaalsContact O-N 3.15Å; L131-N133 PolarHBondContact O-N 2.99Å; L131-W134 PolarHBondContact O-N 3.38Å; L131-W134 VanDerWaalsContact O-N 3.09Å; L131-L137 HydrophobicContact CD1-CD2 3.83Å; L131-L138 HydrophobicContact CD1-CD2 4.4Å; L131-L138 HydrophobicContact CD1-CG 4.35Å; L131-L138 HydrophobicContact CD2-CD1 4.25Å; L131-I163 HydrophobicContact CD2-CG2 4.1Å; L131-I170 HydrophobicContact CD2-CG2 4.11Å; L131-L171 HydrophobicContact CD2-CD2 3.8Å; L131-L171 HydrophobicContact CD2-CG 4.4Å; L131-L176 HydrophobicContact CB-CD1 4.35Å; L131-L176 HydrophobicContact CD2-CD1 3.64Å; L131-L176 HydrophobicContact CG-CD1 3.84Å
132Q91.9Very high94.6Very high75 Ų7542.8 Ų42.835%0.3523%0.233SC..G310 helixtrans-61.4-25.7175.866.9-152.92000114.7E130 W134 V175 L176E130-Q132 HydrophobicContact CB-CG 4.01Å; E130-Q132 PolarHBondContact O-N 3.03Å; E130-Q132 VanDerWaalsContact O-N 3.11Å; E130-Q132 PolarHBondContact OE2-NE2 2.95Å; Q132-W134 PolarHBondContact O-N 2.85Å; Q132-V175 HydrophobicContact CB-CG1 4.35Å; Q132-L176 HydrophobicContact CB-CD2 3.82Å
133N92.5Very high94.6Very high91 Ų9145.5 Ų45.549%0.48725%0.252SS..G310 helixtrans-87.16.1178.3-59.8-37.9000112.4K100 G129 E130 L131 P135K100-N133 PolarHBondContact NZ-O 3.19Å; G129-N133 WeakPolarHBondContact O-CB 3.45Å; G129-N133 PolarHBondContact O-ND2 2.91Å; E130-N133 PolarHBondContact O-N 2.69Å; E130-N133 PolarHBondContact OE2-ND2 3.41Å; L131-N133 PolarHBondContact O-N 2.99Å; N133-P135 VanDerWaalsContact C-CD 3.49Å
134W94.7Very high94.7Very high15 Ų1546.1 Ų46.16%0.05726%0.255CS..  trans-130.563.7171-161.4-5.9000111K100 L104 I122 I125 L131 Q132 D136 L137K100-W134 HydrophobicContact CB-CH2 4Å; K100-W134 HydrophobicContact CB-CZ2 3.41Å; K100-W134 VanDerWaalsContact CB-CZ2 3.41Å; K100-W134 HydrophobicContact CD-CD2 3.7Å; K100-W134 HydrophobicContact CD-CE3 4.25Å; K100-W134 HydrophobicContact CD-CG 3.97Å; K100-W134 HydrophobicContact CD-CZ2 4.1Å; K100-W134 HydrophobicContact CG-CD2 3.89Å; K100-W134 HydrophobicContact CG-CE3 4.12Å; K100-W134 HydrophobicContact CG-CH2 3.72Å; K100-W134 HydrophobicContact CG-CZ2 3.45Å; K100-W134 VanDerWaalsContact CG-CZ2 3.45Å; K100-W134 HydrophobicContact CG-CZ3 4.05Å; L104-W134 HydrophobicContact CD1-CZ2 3.84Å; L104-W134 HydrophobicContact CG-CZ2 4.01Å; I122-W134 HydrophobicContact CG1-CH2 4.23Å; I122-W134 HydrophobicContact CG2-CH2 4.41Å; I122-W134 HydrophobicContact CG2-CZ3 4.32Å; I125-W134 HydrophobicContact CB-CE3 4.31Å; I125-W134 HydrophobicContact CB-CZ3 3.79Å; I125-W134 HydrophobicContact CD1-CZ3 4.43Å; I125-W134 HydrophobicContact CG2-CE3 3.53Å; I125-W134 HydrophobicContact CG2-CH2 4.38Å; I125-W134 HydrophobicContact CG2-CZ3 3.4Å; L131-W134 PolarHBondContact O-N 3.38Å; L131-W134 VanDerWaalsContact O-N 3.09Å; Q132-W134 PolarHBondContact O-N 2.85Å; W134-D136 PolarHBondContact O-N 2.94Å; W134-D136 VanDerWaalsContact O-N 3.13Å; W134-L137 HydrophobicContact CB-CB 4.23Å; W134-L137 HydrophobicContact CD2-CB 3.83Å; W134-L137 HydrophobicContact CD2-CD1 4.3Å; W134-L137 HydrophobicContact CD2-CD2 4.05Å; W134-L137 HydrophobicContact CD2-CG 4.28Å; W134-L137 HydrophobicContact CE3-CB 4.38Å; W134-L137 HydrophobicContact CE3-CD1 4.34Å; W134-L137 HydrophobicContact CE3-CD2 3.71Å; W134-L137 HydrophobicContact CE3-CG 4.37Å; W134-L137 HydrophobicContact CG-CB 3.75Å; W134-L137 HydrophobicContact CH2-CD1 4.07Å; W134-L137 HydrophobicContact CZ2-CD1 4Å; W134-L137 HydrophobicContact CZ3-CD1 4.22Å; W134-L137 HydrophobicContact CZ3-CD2 4.07Å; W134-L137 VanDerWaalsContact O-CB 3.22Å; W134-L137 WeakPolarHBondContact O-CB 3.21Å; W134-L137 PolarHBondContact O-N 3.15Å
135P92Very high94.8Very high90 Ų9045.3 Ų45.358%0.58425%0.25SS*.THydrogen-bonded Turntrans-61.3-28.4-170.724.9-35.7000113.8N133 L137 P139N133-P135 VanDerWaalsContact C-CD 3.49Å; P135-L137 VanDerWaalsContact C-N 3.28Å; P135-L137 PolarHBondContact O-N 3.21Å; P135-P139 WeakPolarHBondContact O-CD 3.29Å; P135-P139 WeakPolarHBondContact O-CG 3.32Å
136D93.5Very high94.8Very high117 Ų11750 Ų5063%0.62628%0.276SS*.THydrogen-bonded Turntrans-77-11.8179.1-59.9-35.6000113.5W134 K140W134-D136 PolarHBondContact O-N 2.94Å; W134-D136 VanDerWaalsContact O-N 3.13Å; D136-K140 WeakPolarHBondContact O-CB 3.42Å; D136-K140 PolarHBondContact O-N 3.45Å
137L97.1Very high94.9Very high0 Ų052.1 Ų52.10%029%0.29CS..Hα-helixtrans-63.2-61.9-173.517859.2000112.4L104 I122 A126 L131 W134 P135 K140 L141 I163L104-L137 HydrophobicContact CD2-CD1 3.85Å; I122-L137 HydrophobicContact CG2-CD1 3.68Å; I122-L137 HydrophobicContact CG2-CD2 4.09Å; I122-L137 HydrophobicContact CG2-CG 4.49Å; A126-L137 HydrophobicContact CB-CD2 3.96Å; L131-L137 HydrophobicContact CD1-CD2 3.83Å; W134-L137 HydrophobicContact CB-CB 4.23Å; W134-L137 HydrophobicContact CD2-CB 3.83Å; W134-L137 HydrophobicContact CD2-CD1 4.3Å; W134-L137 HydrophobicContact CD2-CD2 4.05Å; W134-L137 HydrophobicContact CD2-CG 4.28Å; W134-L137 HydrophobicContact CE3-CB 4.38Å; W134-L137 HydrophobicContact CE3-CD1 4.34Å; W134-L137 HydrophobicContact CE3-CD2 3.71Å; W134-L137 HydrophobicContact CE3-CG 4.37Å; W134-L137 HydrophobicContact CG-CB 3.75Å; W134-L137 HydrophobicContact CH2-CD1 4.07Å; W134-L137 HydrophobicContact CZ2-CD1 4Å; W134-L137 HydrophobicContact CZ3-CD1 4.22Å; W134-L137 HydrophobicContact CZ3-CD2 4.07Å; W134-L137 VanDerWaalsContact O-CB 3.22Å; W134-L137 WeakPolarHBondContact O-CB 3.21Å; W134-L137 PolarHBondContact O-N 3.15Å; P135-L137 VanDerWaalsContact C-N 3.28Å; P135-L137 PolarHBondContact O-N 3.21Å; L137-K140 PolarHBondContact O-N 3.14Å; L137-L141 HydrophobicContact CD1-CD1 3.68Å; L137-L141 HydrophobicContact CD1-CG 3.9Å; L137-L141 HydrophobicContact CG-CD1 4Å; L137-L141 HydrophobicContact CG-CG 4.49Å; L137-L141 WeakPolarHBondContact O-CG 3.49Å; L137-L141 PolarHBondContact O-N 3.41Å; L137-I163 HydrophobicContact CD2-CD1 3.97Å; L137-I163 HydrophobicContact CG-CD1 4.48Å
138L96.8Very high95Very high15 Ų1558.8 Ų58.88%0.07931%0.314CS..Hα-helixtrans-62.3-45.9-176.3-58175.6000112.1L131 K140 L141 C142 L160 I163 L171 P179 M183L131-L138 HydrophobicContact CD1-CD2 4.4Å; L131-L138 HydrophobicContact CD1-CG 4.35Å; L131-L138 HydrophobicContact CD2-CD1 4.25Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.09Å; L138-L141 PolarHBondContact O-N 2.81Å; L138-C142 WeakPolarHBondContact O-CB 3.33Å; L138-C142 PolarHBondContact O-N 3.01Å; L138-C142 PolarHBondContact O-SG 2.8Å; L138-L160 HydrophobicContact CD2-CD2 4.3Å; L138-I163 HydrophobicContact CD2-CD1 4.46Å; L138-I163 HydrophobicContact CD2-CG2 4.12Å; L138-L171 HydrophobicContact CD1-CD2 3.56Å; L138-L171 HydrophobicContact CD2-CD2 4.27Å; L138-P179 HydrophobicContact CD1-CB 3.88Å; L138-P179 HydrophobicContact CD1-CG 3.87Å; L138-M183 HydrophobicContact CD1-SD 4.32Å; L138-M183 HydrophobicContact CD2-CE 4.42Å; L138-M183 HydrophobicContact CD2-SD 4.49Å
139P95.9Very high95.1Very high83 Ų8357.3 Ų57.354%0.53931%0.31SS..Hα-helixtrans-58.7-41.8175-24.835.6000112.4P135 S143P135-P139 WeakPolarHBondContact O-CD 3.29Å; P135-P139 WeakPolarHBondContact O-CG 3.32Å; P139-S143 WeakPolarHBondContact O-CB 3.44Å; P139-S143 PolarHBondContact O-N 2.73Å
140K97.2Very high95.3Very high83 Ų8361.2 Ų61.236%0.36132%0.322SS..Hα-helixtrans-66.2-49.7178.9-175.561.4176.4173.90111.2L104 D136 L137 L138 C142 S143 L144L104-K140 HydrophobicContact CD1-CG 4.21Å; L104-K140 HydrophobicContact CD2-CB 4.46Å; L104-K140 HydrophobicContact CD2-CG 4.08Å; D136-K140 WeakPolarHBondContact O-CB 3.42Å; D136-K140 PolarHBondContact O-N 3.45Å; L137-K140 PolarHBondContact O-N 3.14Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.09Å; K140-C142 VanDerWaalsContact C-N 3.32Å; K140-C142 PolarHBondContact O-N 3.08Å; K140-S143 PolarHBondContact O-N 2.85Å; K140-S143 VanDerWaalsContact O-N 3.1Å; K140-S143 PolarHBondContact O-OG 3.32Å; K140-L144 HydrophobicContact CD-CG 4.49Å; K140-L144 HydrophobicContact CG-CD1 4.26Å; K140-L144 VanDerWaalsContact O-CG 3.32Å; K140-L144 WeakPolarHBondContact O-CG 3.42Å; K140-L144 PolarHBondContact O-N 3.03Å
141L98Very high95.7Very high0 Ų058.3 Ų58.30%031%0.31CS..Hα-helixtrans-57.9-44.7177.6-69.4178.8000111.5L104 I107 L137 L138 S143 L144 L145 A156 A159 L160 I163L104-L141 HydrophobicContact CD2-CD2 4.13Å; I107-L141 HydrophobicContact CD1-CD2 3.33Å; L137-L141 HydrophobicContact CD1-CD1 3.68Å; L137-L141 HydrophobicContact CD1-CG 3.9Å; L137-L141 HydrophobicContact CG-CD1 4Å; L137-L141 HydrophobicContact CG-CG 4.49Å; L137-L141 WeakPolarHBondContact O-CG 3.49Å; L137-L141 PolarHBondContact O-N 3.41Å; L138-L141 PolarHBondContact O-N 2.81Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 2.87Å; L141-L144 WeakPolarHBondContact O-CB 3.27Å; L141-L144 PolarHBondContact O-N 3.04Å; L141-L144 VanDerWaalsContact O-N 3.1Å; L141-L145 PolarHBondContact O-N 3.01Å; L141-A156 HydrophobicContact CD2-CB 4.37Å; L141-A159 HydrophobicContact CD1-CB 4.22Å; L141-A159 HydrophobicContact CD2-CB 4.34Å; L141-L160 HydrophobicContact CB-CD1 4.1Å; L141-L160 HydrophobicContact CB-CD2 3.8Å; L141-L160 HydrophobicContact CB-CG 3.91Å; L141-L160 HydrophobicContact CD1-CD2 3.77Å; L141-L160 HydrophobicContact CD1-CG 4.03Å; L141-L160 HydrophobicContact CG-CD2 4.46Å; L141-I163 HydrophobicContact CD1-CD1 3.73Å
142C97.4Very high95.9Very high16 Ų1659.2 Ų59.211%0.10832%0.316CS..Hα-helixtrans-60.4-39.4175.7-70.40000112.5L138 K140 L144 L145L138-C142 WeakPolarHBondContact O-CB 3.33Å; L138-C142 PolarHBondContact O-N 3.01Å; L138-C142 PolarHBondContact O-SG 2.8Å; K140-C142 VanDerWaalsContact C-N 3.32Å; K140-C142 PolarHBondContact O-N 3.08Å; C142-L144 VanDerWaalsContact C-N 3.31Å; C142-L144 PolarHBondContact O-N 3.38Å; C142-L145 WeakPolarHBondContact O-CB 3.33Å; C142-L145 PolarHBondContact O-N 3.44Å
143S97.2Very high96.2Very high57 Ų5755.8 Ų55.840%0.39930%0.3SS..Hα-helixtrans-67.6-30.7175.8770000113.1P139 K140 L141 L145 D146P139-S143 WeakPolarHBondContact O-CB 3.44Å; P139-S143 PolarHBondContact O-N 2.73Å; K140-S143 PolarHBondContact O-N 2.85Å; K140-S143 VanDerWaalsContact O-N 3.1Å; K140-S143 PolarHBondContact O-OG 3.32Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 2.87Å; S143-L145 VanDerWaalsContact C-N 3.27Å; S143-L145 PolarHBondContact O-N 3.09Å; S143-D146 PolarHBondContact O-N 3.36Å
144L97.7Very high96.4Very high23 Ų2352.2 Ų52.212%0.1228%0.28CS..Hα-helixtrans-73.5-20.8178.9-68.7175.4000112.5I107 K140 L141 C142 D146 S147 T152 A156I107-L144 HydrophobicContact CG2-CD1 3.64Å; K140-L144 HydrophobicContact CD-CG 4.49Å; K140-L144 HydrophobicContact CG-CD1 4.26Å; K140-L144 VanDerWaalsContact O-CG 3.32Å; K140-L144 WeakPolarHBondContact O-CG 3.42Å; K140-L144 PolarHBondContact O-N 3.03Å; L141-L144 WeakPolarHBondContact O-CB 3.27Å; L141-L144 PolarHBondContact O-N 3.04Å; L141-L144 VanDerWaalsContact O-N 3.1Å; C142-L144 VanDerWaalsContact C-N 3.31Å; C142-L144 PolarHBondContact O-N 3.38Å; L144-D146 PolarHBondContact O-N 3.4Å; L144-S147 WeakPolarHBondContact O-CB 3.36Å; L144-S147 PolarHBondContact O-N 3.14Å; L144-S147 VanDerWaalsContact O-N 3.11Å; L144-T152 HydrophobicContact CB-CG2 3.99Å; L144-T152 HydrophobicContact CD2-CG2 3.82Å; L144-T152 HydrophobicContact CG-CG2 4.37Å; L144-A156 HydrophobicContact CB-CB 3.9Å
145L97.8Very high96.6Very high3 Ų351.6 Ų51.62%0.01628%0.279CS..THydrogen-bonded Turntrans-62.2-26.5172-57.6-174.6000112.5L141 C142 S143 S147 C153 A156 F157 L160 K186 F187 F190L141-L145 PolarHBondContact O-N 3.01Å; C142-L145 WeakPolarHBondContact O-CB 3.33Å; C142-L145 PolarHBondContact O-N 3.44Å; S143-L145 VanDerWaalsContact C-N 3.27Å; S143-L145 PolarHBondContact O-N 3.09Å; L145-S147 VanDerWaalsContact C-N 3.25Å; L145-S147 PolarHBondContact O-N 3.05Å; L145-C153 PolarHBondContact O-SG 2.92Å; L145-C153 VanDerWaalsContact O-SG 3.35Å; L145-A156 HydrophobicContact CD2-CB 3.71Å; L145-F157 HydrophobicContact CD1-CE1 4.25Å; L145-F157 HydrophobicContact CD1-CE2 4.21Å; L145-F157 HydrophobicContact CD1-CZ 3.92Å; L145-F157 HydrophobicContact CD2-CD1 4.36Å; L145-F157 HydrophobicContact CD2-CD2 3.53Å; L145-F157 HydrophobicContact CD2-CE1 4.47Å; L145-F157 HydrophobicContact CD2-CE2 3.66Å; L145-F157 HydrophobicContact CD2-CG 3.89Å; L145-F157 HydrophobicContact CD2-CZ 4.14Å; L145-F157 HydrophobicContact CG-CE2 4.38Å; L145-L160 HydrophobicContact CD1-CD1 3.83Å; L145-L160 HydrophobicContact CD2-CD1 4.01Å; L145-L160 HydrophobicContact CG-CD1 4.13Å; L145-K186 HydrophobicContact CD1-CG 4.24Å; L145-F187 HydrophobicContact CD1-CD1 4.28Å; L145-F187 HydrophobicContact CD1-CE1 4.09Å; L145-F190 HydrophobicContact CB-CE1 4.43Å; L145-F190 HydrophobicContact CB-CE2 3.96Å; L145-F190 HydrophobicContact CB-CZ 3.66Å; L145-F190 HydrophobicContact CD1-CE2 4.28Å; L145-F190 WeakPolarHBondContact O-CE1 3.46Å; L145-F190 VanDerWaalsContact O-CZ 3.27Å; L145-F190 WeakPolarHBondContact O-CZ 3.22Å
146D96Very high96.9Very high103 Ų10347.3 Ų47.355%0.55125%0.251SS*.THydrogen-bonded Turntrans-81.51177.1-68.4-45.6000113.8S143 L144 K186S143-D146 PolarHBondContact O-N 3.36Å; L144-D146 PolarHBondContact O-N 3.4Å; D146-K186 IonicContact OD1-NZ 3.82Å; D146-K186 PolarHBondContact OD1-NZ 2.94Å; D146-K186 IonicContact OD2-NZ 3.7Å; D146-K186 PolarHBondContact OD2-NZ 3.02Å
147S95.5Very high97.1Very high46 Ų4641.8 Ų41.832%0.32222%0.221SC..  trans-65.7136.4177.6-171.80000111.3L144 L145 D149L144-S147 WeakPolarHBondContact O-CB 3.36Å; L144-S147 PolarHBondContact O-N 3.14Å; L144-S147 VanDerWaalsContact O-N 3.11Å; L145-S147 VanDerWaalsContact C-N 3.25Å; L145-S147 PolarHBondContact O-N 3.05Å; S147-D149 PolarHBondContact O-N 2.94Å; S147-D149 PolarHBondContact OG-N 2.96Å
148E94Very high97.1Very high206 Ų20642.2 Ų42.296%0.96323%0.226SC*.SBendtrans-69.1-17.8170-63.9-176.3172.500112.2Y150E148-Y150 PolarHBondContact O-N 3.29Å
149D96.4Very high97.1Very high62 Ų6241.5 Ų41.533%0.33222%0.222SC..  trans-79115.4173.7171.345.3000111S147 N151 T152 C153S147-D149 PolarHBondContact O-N 2.94Å; S147-D149 PolarHBondContact OG-N 2.96Å; D149-N151 VanDerWaalsContact C-N 3.26Å; D149-N151 PolarHBondContact O-N 3.12Å; D149-N151 PolarHBondContact OD1-N 2.74Å; D149-N151 PolarHBondContact OD1-ND2 3.01Å; D149-T152 PolarHBondContact O-N 3.19Å; D149-T152 WeakPolarHBondContact OD2-CB 3.41Å; D149-T152 PolarHBondContact OD2-N 2.88Å; D149-T152 PolarHBondContact OD2-OG1 3Å; D149-C153 PolarHBondContact O-N 2.62Å; D149-C153 VanDerWaalsContact O-N 3.1Å
150Y96.9Very high97.2Very high93 Ų9337.6 Ų37.637%0.36520%0.197SC..Hα-helixtrans-52.5-42.1176.9169.7-104.9000112.7E148 T152 C153 E154 S195 I198E148-Y150 PolarHBondContact O-N 3.29Å; Y150-T152 PolarHBondContact O-N 3.43Å; Y150-C153 PolarHBondContact O-N 3.35Å; Y150-E154 HydrophobicContact CE1-CB 4.48Å; Y150-E154 HydrophobicContact CE2-CB 4.17Å; Y150-E154 VanDerWaalsContact O-CB 3.28Å; Y150-E154 WeakPolarHBondContact O-CB 3.41Å; Y150-E154 PolarHBondContact O-N 3.46Å; Y150-S195 WeakPolarHBondContact CE2-OG 3.49Å; Y150-I198 HydrophobicContact CD2-CD1 3.66Å; Y150-I198 HydrophobicContact CE2-CD1 3.69Å; Y150-I198 HydrophobicContact CE2-CG1 4.14Å
151N97.8Very high97.2Very high41 Ų4135.8 Ų35.822%0.21919%0.19CC..Hα-helixtrans-66.5-41.3-175.9-62.1-54000111.2R115 D149 G155R115-N151 VanDerWaalsContact CD-O 3.27Å; R115-N151 WeakPolarHBondContact CD-O 3.3Å; R115-N151 PolarHBondContact NH1-OD1 3.3Å; R115-N151 VanDerWaalsContact NH1-OD1 3.16Å; D149-N151 VanDerWaalsContact C-N 3.26Å; D149-N151 PolarHBondContact O-N 3.12Å; D149-N151 PolarHBondContact OD1-N 2.74Å; D149-N151 PolarHBondContact OD1-ND2 3.01Å; N151-G155 PolarHBondContact O-N 3.35Å
152T97.8Very high97.1Very high25 Ų2538.7 Ų38.715%0.15320%0.202CC..Hα-helixtrans-61.8-47.3174.3-61.40000111.9L144 D149 Y150 A156L144-T152 HydrophobicContact CB-CG2 3.99Å; L144-T152 HydrophobicContact CD2-CG2 3.82Å; L144-T152 HydrophobicContact CG-CG2 4.37Å; D149-T152 PolarHBondContact O-N 3.19Å; D149-T152 WeakPolarHBondContact OD2-CB 3.41Å; D149-T152 PolarHBondContact OD2-N 2.88Å; D149-T152 PolarHBondContact OD2-OG1 3Å; Y150-T152 PolarHBondContact O-N 3.43Å; T152-A156 WeakPolarHBondContact O-CB 3.46Å; T152-A156 PolarHBondContact O-N 2.62Å
153C97.8Very high97.1Very high3 Ų338 Ų382%0.0220%0.198CC..Hα-helixtrans-64.1-46.6179.3-174.20000111.5L145 D149 Y150 A156 F157 I198L145-C153 PolarHBondContact O-SG 2.92Å; L145-C153 VanDerWaalsContact O-SG 3.35Å; D149-C153 PolarHBondContact O-N 2.62Å; D149-C153 VanDerWaalsContact O-N 3.1Å; Y150-C153 PolarHBondContact O-N 3.35Å; C153-A156 PolarHBondContact O-N 3.36Å; C153-F157 PolarHBondContact O-N 3.03Å; C153-I198 HydrophobicContact CB-CD1 4.17Å
154E97.5Very high97.1Very high15 Ų1535.3 Ų35.37%0.0718%0.179CC..Hα-helixtrans-65.8-42.1179.3-173.7-93.8166.600112.6R115 Y150 A156 F157 G158 K197 H201R115-E154 IonicContact CZ-OE2 3.22Å; R115-E154 VanDerWaalsContact CZ-OE2 3.22Å; R115-E154 IonicContact NE-OE2 2.74Å; R115-E154 PolarHBondContact NE-OE2 2.85Å; R115-E154 IonicContact NH2-OE2 2.81Å; R115-E154 PolarHBondContact NH2-OE2 2.86Å; Y150-E154 HydrophobicContact CE1-CB 4.48Å; Y150-E154 HydrophobicContact CE2-CB 4.17Å; Y150-E154 VanDerWaalsContact O-CB 3.28Å; Y150-E154 WeakPolarHBondContact O-CB 3.41Å; Y150-E154 PolarHBondContact O-N 3.46Å; E154-A156 PolarHBondContact O-N 3.25Å; E154-F157 PolarHBondContact O-N 3.16Å; E154-G158 PolarHBondContact O-N 3.35Å; E154-K197 HydrophobicContact CG-CD 4.02Å; E154-K197 WeakPolarHBondContact OE1-CE 3.39Å; E154-K197 IonicContact OE1-NZ 3.42Å; E154-K197 PolarHBondContact OE1-NZ 2.85Å; E154-H201 IonicContact OE1-NE2 3.94Å
155G97.6Very high96.9Very high3 Ų339.5 Ų39.53%0.03120%0.198CC..Hα-helixtrans-63-40.717500000112.7N151 G158 A159N151-G155 PolarHBondContact O-N 3.35Å; G155-G158 PolarHBondContact O-N 3.39Å; G155-A159 PolarHBondContact O-N 3.47Å; G155-A159 VanDerWaalsContact O-N 3.09Å
156A98.3Very high96.6Very high0 Ų044.1 Ų44.10%022%0.222CC..Hα-helixtrans-64.3-44.3175.300000112.1I107 L141 L144 L145 T152 C153 E154 A159 L160I107-A156 HydrophobicContact CD1-CB 4.36Å; L141-A156 HydrophobicContact CD2-CB 4.37Å; L144-A156 HydrophobicContact CB-CB 3.9Å; L145-A156 HydrophobicContact CD2-CB 3.71Å; T152-A156 WeakPolarHBondContact O-CB 3.46Å; T152-A156 PolarHBondContact O-N 2.62Å; C153-A156 PolarHBondContact O-N 3.36Å; E154-A156 PolarHBondContact O-N 3.25Å; A156-A159 PolarHBondContact O-N 2.89Å; A156-L160 WeakPolarHBondContact O-CB 3.32Å; A156-L160 VanDerWaalsContact O-CG 3.29Å; A156-L160 WeakPolarHBondContact O-CG 3.41Å; A156-L160 PolarHBondContact O-N 3.19Å
157F98.1Very high96.5Very high0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-60.7-43172.2-97.6-61000112.6L145 C153 E154 A159 L160 Q161 F187 F190 I198 H201 A202L145-F157 HydrophobicContact CD1-CE1 4.25Å; L145-F157 HydrophobicContact CD1-CE2 4.21Å; L145-F157 HydrophobicContact CD1-CZ 3.92Å; L145-F157 HydrophobicContact CD2-CD1 4.36Å; L145-F157 HydrophobicContact CD2-CD2 3.53Å; L145-F157 HydrophobicContact CD2-CE1 4.47Å; L145-F157 HydrophobicContact CD2-CE2 3.66Å; L145-F157 HydrophobicContact CD2-CG 3.89Å; L145-F157 HydrophobicContact CD2-CZ 4.14Å; L145-F157 HydrophobicContact CG-CE2 4.38Å; C153-F157 PolarHBondContact O-N 3.03Å; E154-F157 PolarHBondContact O-N 3.16Å; F157-A159 VanDerWaalsContact C-N 3.26Å; F157-A159 PolarHBondContact O-N 3.39Å; F157-L160 PolarHBondContact O-N 3.14Å; F157-Q161 WeakPolarHBondContact O-CB 3.33Å; F157-Q161 PolarHBondContact O-N 3.33Å; F157-F187 AromaticContact CE1-CD1 3.92Å; F157-F187 HydrophobicContact CE1-CD1 3.92Å; F157-F187 HydrophobicContact CE1-CE1 4.32Å; F157-F187 HydrophobicContact CZ-CD1 4.44Å; F157-F190 HydrophobicContact CE2-CB 4.02Å; F157-F190 AromaticContact CE2-CD1 3.66Å; F157-F190 HydrophobicContact CE2-CD1 3.66Å; F157-F190 HydrophobicContact CE2-CD2 4.05Å; F157-F190 HydrophobicContact CE2-CE1 4.11Å; F157-F190 HydrophobicContact CE2-CE2 4.48Å; F157-F190 AromaticContact CE2-CG 3.63Å; F157-F190 HydrophobicContact CE2-CG 3.63Å; F157-F190 HydrophobicContact CZ-CB 3.68Å; F157-F190 HydrophobicContact CZ-CD1 4.08Å; F157-F190 AromaticContact CZ-CD2 3.69Å; F157-F190 HydrophobicContact CZ-CD2 3.69Å; F157-F190 HydrophobicContact CZ-CE2 4.36Å; F157-F190 AromaticContact CZ-CG 3.54Å; F157-F190 HydrophobicContact CZ-CG 3.54Å; F157-I198 HydrophobicContact CD2-CG1 4.45Å; F157-I198 HydrophobicContact CD2-CG2 3.89Å; F157-I198 HydrophobicContact CE2-CG2 3.63Å; F157-I198 HydrophobicContact CZ-CG2 4.49Å; F157-H201 HydrophobicContact CB-CB 3.7Å; F157-H201 HydrophobicContact CD1-CB 3.81Å; F157-H201 HydrophobicContact CG-CB 3.84Å; F157-A202 HydrophobicContact CE1-CB 3.94Å; F157-A202 HydrophobicContact CZ-CB 4.03Å
158G96.4Very high96.3Very high10 Ų1039.3 Ų39.310%0.10320%0.198CC..Hα-helixtrans-63.4-29.1178.900000114E154 G155 K162E154-G158 PolarHBondContact O-N 3.35Å; G155-G158 PolarHBondContact O-N 3.39Å; G158-K162 PolarHBondContact O-NZ 3.04Å
159A97.6Very high96.2Very high0 Ų037.9 Ų37.90%019%0.192CC..Hα-helixtrans-78.1-45.8170.100000111.6I107 I122 L141 G155 A156 F157 Q161 K162 I163I107-A159 HydrophobicContact CD1-CB 4Å; I122-A159 HydrophobicContact CG2-CB 4.35Å; L141-A159 HydrophobicContact CD1-CB 4.22Å; L141-A159 HydrophobicContact CD2-CB 4.34Å; G155-A159 PolarHBondContact O-N 3.47Å; G155-A159 VanDerWaalsContact O-N 3.09Å; A156-A159 PolarHBondContact O-N 2.89Å; F157-A159 VanDerWaalsContact C-N 3.26Å; F157-A159 PolarHBondContact O-N 3.39Å; A159-Q161 PolarHBondContact O-N 2.99Å; A159-K162 PolarHBondContact O-N 3.08Å; A159-I163 WeakPolarHBondContact O-CG1 3.23Å; A159-I163 PolarHBondContact O-N 3.14Å
160L98.2Very high96Very high0 Ų037.1 Ų37.10%019%0.187CC..Hα-helixtrans-61.6-40.3-179.7-75170.3000112.8L138 L141 L145 A156 F157 K162 I163 C164 M183 F187L138-L160 HydrophobicContact CD2-CD2 4.3Å; L141-L160 HydrophobicContact CB-CD1 4.1Å; L141-L160 HydrophobicContact CB-CD2 3.8Å; L141-L160 HydrophobicContact CB-CG 3.91Å; L141-L160 HydrophobicContact CD1-CD2 3.77Å; L141-L160 HydrophobicContact CD1-CG 4.03Å; L141-L160 HydrophobicContact CG-CD2 4.46Å; L145-L160 HydrophobicContact CD1-CD1 3.83Å; L145-L160 HydrophobicContact CD2-CD1 4.01Å; L145-L160 HydrophobicContact CG-CD1 4.13Å; A156-L160 WeakPolarHBondContact O-CB 3.32Å; A156-L160 VanDerWaalsContact O-CG 3.29Å; A156-L160 WeakPolarHBondContact O-CG 3.41Å; A156-L160 PolarHBondContact O-N 3.19Å; F157-L160 PolarHBondContact O-N 3.14Å; L160-K162 PolarHBondContact O-N 2.76Å; L160-I163 PolarHBondContact O-N 2.92Å; L160-C164 WeakPolarHBondContact O-CB 3.04Å; L160-C164 PolarHBondContact O-N 3.48Å; L160-C164 PolarHBondContact O-SG 2.67Å; L160-M183 HydrophobicContact CD2-CE 4.06Å; L160-F187 HydrophobicContact CD1-CE1 3.99Å; L160-F187 HydrophobicContact CD1-CZ 4.37Å
161Q97.2Very high95.9Very high46 Ų4632.7 Ų32.722%0.21517%0.17CC..Hα-helixtrans-57.4-50.9177.4-178.1-174.4-4.800111.2F157 A159 I163 C164 E165 H201 A204 C205F157-Q161 WeakPolarHBondContact O-CB 3.33Å; F157-Q161 PolarHBondContact O-N 3.33Å; A159-Q161 PolarHBondContact O-N 2.99Å; Q161-I163 VanDerWaalsContact C-N 3.33Å; Q161-I163 PolarHBondContact O-N 3.22Å; Q161-C164 WeakPolarHBondContact O-CB 3.46Å; Q161-C164 PolarHBondContact O-N 3.44Å; Q161-C164 VanDerWaalsContact O-N 3.15Å; Q161-E165 PolarHBondContact O-N 2.88Å; Q161-H201 PolarHBondContact OE1-CE1 3.05Å; Q161-H201 PolarHBondContact OE1-ND1 2.81Å; Q161-A204 HydrophobicContact CG-CB 4.17Å; Q161-C205 WeakPolarHBondContact CA-SG 3.25Å
162K96.3Very high95.5Very high61 Ų6132.5 Ų32.527%0.26517%0.168SC..Hα-helixtrans-63-38.7178-68.5-177-168.175.60112.1I120 T123 G158 A159 L160 C164 E165 D166I120-K162 HydrophobicContact CG1-CD 4.48Å; T123-K162 HydrophobicContact CG2-CB 3.35Å; T123-K162 HydrophobicContact CG2-CD 4.09Å; T123-K162 HydrophobicContact CG2-CG 4.34Å; G158-K162 PolarHBondContact O-NZ 3.04Å; A159-K162 PolarHBondContact O-N 3.08Å; L160-K162 PolarHBondContact O-N 2.76Å; K162-C164 VanDerWaalsContact C-N 3.34Å; K162-E165 PolarHBondContact O-N 3.48Å; K162-D166 WeakPolarHBondContact O-CB 3.49Å; K162-D166 PolarHBondContact O-N 2.9Å
163I96.7Very high95.2Very high2 Ų232.7 Ų32.71%0.0117%0.171CC..Hα-helixtrans-64.6-39.9174.5-65.9166.9000110.9I122 T123 L131 L137 L138 L141 A159 L160 Q161 E165 S167 L171I122-I163 HydrophobicContact CG2-CD1 4.29Å; T123-I163 HydrophobicContact CG2-CG1 3.75Å; L131-I163 HydrophobicContact CD2-CG2 4.1Å; L137-I163 HydrophobicContact CD2-CD1 3.97Å; L137-I163 HydrophobicContact CG-CD1 4.48Å; L138-I163 HydrophobicContact CD2-CD1 4.46Å; L138-I163 HydrophobicContact CD2-CG2 4.12Å; L141-I163 HydrophobicContact CD1-CD1 3.73Å; A159-I163 WeakPolarHBondContact O-CG1 3.23Å; A159-I163 PolarHBondContact O-N 3.14Å; L160-I163 PolarHBondContact O-N 2.92Å; Q161-I163 VanDerWaalsContact C-N 3.33Å; Q161-I163 PolarHBondContact O-N 3.22Å; I163-E165 VanDerWaalsContact C-N 3.31Å; I163-E165 PolarHBondContact O-N 2.88Å; I163-S167 WeakPolarHBondContact O-CA 3.46Å; I163-S167 VanDerWaalsContact O-CB 3.28Å; I163-S167 WeakPolarHBondContact O-CB 3.5Å; I163-S167 PolarHBondContact O-N 3.42Å; I163-L171 HydrophobicContact CG2-CD1 4.31Å
164C96.8Very high94.8Very high0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-64.9-37.5177.2-64.90000111.5L160 Q161 K162 A168 Q208 F209L160-C164 WeakPolarHBondContact O-CB 3.04Å; L160-C164 PolarHBondContact O-N 3.48Å; L160-C164 PolarHBondContact O-SG 2.67Å; Q161-C164 WeakPolarHBondContact O-CB 3.46Å; Q161-C164 PolarHBondContact O-N 3.44Å; Q161-C164 VanDerWaalsContact O-N 3.15Å; K162-C164 VanDerWaalsContact C-N 3.34Å; C164-A168 WeakPolarHBondContact O-CA 3.38Å; C164-A168 WeakPolarHBondContact O-CB 3.32Å; C164-A168 PolarHBondContact O-N 3.49Å; C164-Q208 HydrophobicContact CB-CB 4.21Å; C164-Q208 HydrophobicContact CB-CG 3.9Å; C164-F209 HydrophobicContact CB-CE2 3.86Å; C164-F209 HydrophobicContact CB-CZ 3.68Å
165E94.7Very high94.4Very high111 Ų11142 Ų4252%0.51922%0.224SC..Hα-helixtrans-70.6-52.1176.8-174.2175.6-176.400112Q161 K162 I163 S167 Q208Q161-E165 PolarHBondContact O-N 2.88Å; K162-E165 PolarHBondContact O-N 3.48Å; I163-E165 VanDerWaalsContact C-N 3.31Å; I163-E165 PolarHBondContact O-N 2.88Å; E165-S167 PolarHBondContact O-N 3.22Å; E165-Q208 HydrophobicContact CB-CG 4.46Å
166D91.9Very high94Very high100 Ų10043.5 Ų43.554%0.53523%0.231SC..Hα-helixtrans-77.2-16.7-174.7-69.5-23.2000114.1K162K162-D166 WeakPolarHBondContact O-CB 3.49Å; K162-D166 PolarHBondContact O-N 2.9Å
167S92.5Very high93.7Very high22 Ų2250.5 Ų50.515%0.15427%0.269CS..THydrogen-bonded Turntrans-141.631-167.8-61.40000113I163 E165 E169 I170 L171I163-S167 WeakPolarHBondContact O-CA 3.46Å; I163-S167 VanDerWaalsContact O-CB 3.28Å; I163-S167 WeakPolarHBondContact O-CB 3.5Å; I163-S167 PolarHBondContact O-N 3.42Å; E165-S167 PolarHBondContact O-N 3.22Å; S167-E169 VanDerWaalsContact C-N 3.33Å; S167-E169 PolarHBondContact O-N 3Å; S167-I170 WeakPolarHBondContact O-CG2 3.08Å; S167-I170 PolarHBondContact O-N 2.94Å; S167-L171 VanDerWaalsContact O-CG 3.27Å; S167-L171 WeakPolarHBondContact O-CG 3.36Å; S167-L171 PolarHBondContact O-N 3.46Å
168A92Very high93.4Very high25 Ų2554.3 Ų54.321%0.20728%0.283CS..Hα-helixtrans-54.5-44.8-176.500000113.6C164 L171 F209C164-A168 WeakPolarHBondContact O-CA 3.38Å; C164-A168 WeakPolarHBondContact O-CB 3.32Å; C164-A168 PolarHBondContact O-N 3.49Å; A168-L171 PolarHBondContact O-N 2.78Å; A168-F209 HydrophobicContact CB-CD1 4.36Å; A168-F209 HydrophobicContact CB-CE1 3.99Å
169E90.8Very high93.4Very high177 Ų17754.6 Ų54.683%0.82728%0.283SS*.Hα-helixtrans-64.5-48.5-176-172.7-177.1179.200112.6S167 L171 D172 S173S167-E169 VanDerWaalsContact C-N 3.33Å; S167-E169 PolarHBondContact O-N 3Å; E169-L171 VanDerWaalsContact C-N 3.25Å; E169-L171 PolarHBondContact O-N 3.22Å; E169-D172 PolarHBondContact O-N 2.74Å; E169-S173 PolarHBondContact O-N 3.24Å
170I92.2Very high93.3Very high46 Ų4654.6 Ų54.624%0.23628%0.283CS..Hα-helixtrans-68.1-27.1-178.3-164.4171.6000111.9L131 S167 D172 S173 L176L131-I170 HydrophobicContact CD2-CG2 4.11Å; S167-I170 WeakPolarHBondContact O-CG2 3.08Å; S167-I170 PolarHBondContact O-N 2.94Å; I170-D172 VanDerWaalsContact C-N 3.32Å; I170-D172 PolarHBondContact O-N 3.46Å; I170-S173 WeakPolarHBondContact O-CB 3.44Å; I170-S173 PolarHBondContact O-N 3.21Å; I170-S173 PolarHBondContact O-OG 3Å; I170-L176 HydrophobicContact CD1-CD1 4.35Å; I170-L176 HydrophobicContact CG1-CD1 3.87Å; I170-L176 HydrophobicContact CG1-CG 4.15Å; I170-L176 HydrophobicContact CG2-CD1 4.26Å
171L94.8Very high93.3Very high0 Ų058.3 Ų58.30%030%0.303CS..Hα-helixtrans-68-27.8176.4-69.7170.8000113.1L131 L138 I163 S167 A168 E169 L176 P179 L180 M183 F209L131-L171 HydrophobicContact CD2-CD2 3.8Å; L131-L171 HydrophobicContact CD2-CG 4.4Å; L138-L171 HydrophobicContact CD1-CD2 3.56Å; L138-L171 HydrophobicContact CD2-CD2 4.27Å; I163-L171 HydrophobicContact CG2-CD1 4.31Å; S167-L171 VanDerWaalsContact O-CG 3.27Å; S167-L171 WeakPolarHBondContact O-CG 3.36Å; S167-L171 PolarHBondContact O-N 3.46Å; A168-L171 PolarHBondContact O-N 2.78Å; E169-L171 VanDerWaalsContact C-N 3.25Å; E169-L171 PolarHBondContact O-N 3.22Å; L171-L176 HydrophobicContact CD2-CD1 4.46Å; L171-P179 HydrophobicContact CB-CG 4.49Å; L171-P179 HydrophobicContact CD2-CG 3.89Å; L171-P179 WeakPolarHBondContact O-CD 3.4Å; L171-P179 WeakPolarHBondContact O-CG 3.46Å; L171-L180 HydrophobicContact CB-CD1 4.22Å; L171-L180 HydrophobicContact CB-CD2 3.96Å; L171-L180 HydrophobicContact CB-CG 3.95Å; L171-L180 HydrophobicContact CD1-CD2 4.5Å; L171-L180 WeakPolarHBondContact O-CG 3.37Å; L171-M183 HydrophobicContact CD2-SD 4.34Å; L171-F209 HydrophobicContact CB-CE1 4.35Å; L171-F209 HydrophobicContact CD1-CE1 4.15Å; L171-F209 HydrophobicContact CD1-CZ 3.77Å
172D91.1Very high93.2Very high36 Ų3662.1 Ų62.119%0.19332%0.324CS..Hα-helixtrans-90.3-3.6173.7-158.530.2000113E169 I170 L180 T214E169-D172 PolarHBondContact O-N 2.74Å; I170-D172 VanDerWaalsContact C-N 3.32Å; I170-D172 PolarHBondContact O-N 3.46Å; D172-L180 HydrophobicContact CB-CD1 3.79Å; D172-T214 HydrophobicContact CB-CG2 3.96Å; D172-T214 WeakPolarHBondContact OD2-CA 3.21Å; D172-T214 WeakPolarHBondContact OD2-CB 3.4Å
173S90.7Very high93.3Very high29 Ų2959.3 Ų59.320%0.20331%0.312CS..SBendtrans-78.7154.5-176.681.20000113.5E169 I170 V175 R178E169-S173 PolarHBondContact O-N 3.24Å; I170-S173 WeakPolarHBondContact O-CB 3.44Å; I170-S173 PolarHBondContact O-N 3.21Å; I170-S173 PolarHBondContact O-OG 3Å; S173-V175 PolarHBondContact O-N 3.43Å; S173-V175 PolarHBondContact OG-N 3.02Å; S173-R178 PolarHBondContact O-N 3.4Å
174D89.5Confident93.4Very high114 Ų11459.2 Ų59.261%0.6131%0.311SS*.G310 helixtrans-67.3-18.6171.9-66.3-37.6000112.5L176 D177 R178D174-L176 VanDerWaalsContact C-N 3.28Å; D174-L176 PolarHBondContact O-N 2.81Å; D174-D177 PolarHBondContact O-N 2.98Å; D174-D177 VanDerWaalsContact O-N 3.08Å; D174-R178 IonicContact OD1-CZ 2.62Å; D174-R178 IonicContact OD1-NE 3.88Å; D174-R178 PolarHBondContact OD1-NE 2.95Å; D174-R178 IonicContact OD1-NH2 2.92Å; D174-R178 PolarHBondContact OD1-NH2 3.32Å; D174-R178 IonicContact OD2-NH2 3.77Å; D174-R178 PolarHBondContact OD2-NH2 3.09Å
175V89Confident93.4Very high99 Ų9960.9 Ų60.960%0.632%0.322SS*.G310 helixtrans-62.4-35.9-178.1-179.90000111.7Q132 S173Q132-V175 HydrophobicContact CB-CG1 4.35Å; S173-V175 PolarHBondContact O-N 3.43Å; S173-V175 PolarHBondContact OG-N 3.02Å
176L89.1Confident93.6Very high35 Ų3557.1 Ų57.118%0.18330%0.304CS..G310 helixtrans-97.611176.8-67.5-179.1000113.5L131 Q132 I170 L171 D174 R178 P179L131-L176 HydrophobicContact CB-CD1 4.35Å; L131-L176 HydrophobicContact CD2-CD1 3.64Å; L131-L176 HydrophobicContact CG-CD1 3.84Å; Q132-L176 HydrophobicContact CB-CD2 3.82Å; I170-L176 HydrophobicContact CD1-CD1 4.35Å; I170-L176 HydrophobicContact CG1-CD1 3.87Å; I170-L176 HydrophobicContact CG1-CG 4.15Å; I170-L176 HydrophobicContact CG2-CD1 4.26Å; L171-L176 HydrophobicContact CD2-CD1 4.46Å; D174-L176 VanDerWaalsContact C-N 3.28Å; D174-L176 PolarHBondContact O-N 2.81Å; L176-R178 VanDerWaalsContact C-N 3.31Å; L176-R178 PolarHBondContact O-N 2.91Å; L176-P179 HydrophobicContact CB-CG 3.99Å; L176-P179 HydrophobicContact CD1-CG 4.48Å; L176-P179 WeakPolarHBondContact O-CD 3.2Å
177D91.5Very high93.9Very high147 Ų14752.3 Ų52.379%0.78628%0.278SS*.THydrogen-bonded Turntrans59.639-173.2-162.334.9000112.9D174D174-D177 PolarHBondContact O-N 2.98Å; D174-D177 VanDerWaalsContact O-N 3.08Å
178R92.6Very high94.1Very high80 Ų8051.8 Ų51.830%0.30227%0.274SS..  trans47.761.7176.2-60.7-176.2-179.6-97.9-6.6114.1S173 D174 L176 L180 N181S173-R178 PolarHBondContact O-N 3.4Å; D174-R178 IonicContact OD1-CZ 2.62Å; D174-R178 IonicContact OD1-NE 3.88Å; D174-R178 PolarHBondContact OD1-NE 2.95Å; D174-R178 IonicContact OD1-NH2 2.92Å; D174-R178 PolarHBondContact OD1-NH2 3.32Å; D174-R178 IonicContact OD2-NH2 3.77Å; D174-R178 PolarHBondContact OD2-NH2 3.09Å; L176-R178 VanDerWaalsContact C-N 3.31Å; L176-R178 PolarHBondContact O-N 2.91Å; R178-L180 PolarHBondContact O-N 3.44Å; R178-N181 WeakPolarHBondContact CB-ND2 3.12Å; R178-N181 WeakPolarHBondContact O-CB 3.47Å; R178-N181 PolarHBondContact O-N 2.93Å; R178-N181 PolarHBondContact O-ND2 3.45Å
179P95.7Very high94.4Very high16 Ų1656.5 Ų56.510%0.10429%0.291CS..THydrogen-bonded Turntrans-58.7-23.8-176.325.6-37.4000113.7L138 L171 L176 N181 I182 M183L138-P179 HydrophobicContact CD1-CB 3.88Å; L138-P179 HydrophobicContact CD1-CG 3.87Å; L171-P179 HydrophobicContact CB-CG 4.49Å; L171-P179 HydrophobicContact CD2-CG 3.89Å; L171-P179 WeakPolarHBondContact O-CD 3.4Å; L171-P179 WeakPolarHBondContact O-CG 3.46Å; L176-P179 HydrophobicContact CB-CG 3.99Å; L176-P179 HydrophobicContact CD1-CG 4.48Å; L176-P179 WeakPolarHBondContact O-CD 3.2Å; P179-N181 PolarHBondContact O-N 2.83Å; P179-I182 PolarHBondContact O-N 3.43Å; P179-M183 HydrophobicContact CB-SD 3.85Å; P179-M183 HydrophobicContact CG-SD 4.46Å; P179-M183 WeakPolarHBondContact O-CG 3.31Å; P179-M183 PolarHBondContact O-N 3.08Å
180L96.9Very high94.7Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-57.3-28.3175.5-64.8-179000113.9L171 D172 R178 I182 M183 I184 F209 T214 A216L171-L180 HydrophobicContact CB-CD1 4.22Å; L171-L180 HydrophobicContact CB-CD2 3.96Å; L171-L180 HydrophobicContact CB-CG 3.95Å; L171-L180 HydrophobicContact CD1-CD2 4.5Å; L171-L180 WeakPolarHBondContact O-CG 3.37Å; D172-L180 HydrophobicContact CB-CD1 3.79Å; R178-L180 PolarHBondContact O-N 3.44Å; L180-I182 PolarHBondContact O-N 3.04Å; L180-I182 VanDerWaalsContact O-N 3.15Å; L180-M183 HydrophobicContact CD2-SD 4.5Å; L180-M183 PolarHBondContact O-N 3.41Å; L180-I184 HydrophobicContact CB-CD1 4.11Å; L180-I184 HydrophobicContact CB-CG1 4.31Å; L180-I184 HydrophobicContact CD2-CG1 4.4Å; L180-I184 WeakPolarHBondContact O-CB 3.36Å; L180-I184 PolarHBondContact O-N 3.25Å; L180-F209 HydrophobicContact CD1-CD1 3.7Å; L180-F209 HydrophobicContact CD1-CE1 3.71Å; L180-F209 HydrophobicContact CD1-CG 4.24Å; L180-F209 HydrophobicContact CD1-CZ 4.29Å; L180-F209 HydrophobicContact CD2-CD1 4.29Å; L180-F209 HydrophobicContact CD2-CD2 4.23Å; L180-F209 HydrophobicContact CD2-CE1 3.74Å; L180-F209 HydrophobicContact CD2-CE2 3.69Å; L180-F209 HydrophobicContact CD2-CZ 3.43Å; L180-F209 VanDerWaalsContact CD2-CZ 3.43Å; L180-F209 HydrophobicContact CG-CE1 4.35Å; L180-F209 HydrophobicContact CG-CZ 4.49Å; L180-T214 HydrophobicContact CD1-CG2 3.95Å; L180-A216 HydrophobicContact CB-CB 3.64Å
181N96.5Very high95Very high78 Ų7847 Ų4742%0.41725%0.245SC..Hα-helixtrans-59.8-24.8175.2-71.6-30000112.9R178 P179 P185 A216R178-N181 WeakPolarHBondContact CB-ND2 3.12Å; R178-N181 WeakPolarHBondContact O-CB 3.47Å; R178-N181 PolarHBondContact O-N 2.93Å; R178-N181 PolarHBondContact O-ND2 3.45Å; P179-N181 PolarHBondContact O-N 2.83Å; N181-P185 WeakPolarHBondContact O-CG 3.37Å; N181-A216 WeakPolarHBondContact OD1-CB 3.39Å
182I96.3Very high95.1Very high126 Ų12654.5 Ų54.565%0.64628%0.278SS*.Hα-helixtrans-101.1-42.3176.8-59.7171.9000110.1P179 L180 K186P179-I182 PolarHBondContact O-N 3.43Å; L180-I182 PolarHBondContact O-N 3.04Å; L180-I182 VanDerWaalsContact O-N 3.15Å; I182-K186 WeakPolarHBondContact O-CB 3.34Å; I182-K186 PolarHBondContact O-N 2.72Å
183M97.9Very high95.3Very high3 Ų355.3 Ų55.32%0.01528%0.281CS..Hα-helixtrans-67.8-45.3-173.6-66.6169.764.100112.7L138 L160 L171 P179 L180 K186 F187L138-M183 HydrophobicContact CD1-SD 4.32Å; L138-M183 HydrophobicContact CD2-CE 4.42Å; L138-M183 HydrophobicContact CD2-SD 4.49Å; L160-M183 HydrophobicContact CD2-CE 4.06Å; L171-M183 HydrophobicContact CD2-SD 4.34Å; P179-M183 HydrophobicContact CB-SD 3.85Å; P179-M183 HydrophobicContact CG-SD 4.46Å; P179-M183 WeakPolarHBondContact O-CG 3.31Å; P179-M183 PolarHBondContact O-N 3.08Å; L180-M183 HydrophobicContact CD2-SD 4.5Å; L180-M183 PolarHBondContact O-N 3.41Å; M183-K186 CarbonylContact O-C 3.58Å; M183-K186 WeakPolarHBondContact O-CB 3.4Å; M183-K186 PolarHBondContact O-N 3.43Å; M183-K186 VanDerWaalsContact O-N 3.16Å; M183-F187 HydrophobicContact CB-CD2 4.49Å; M183-F187 HydrophobicContact CB-CE1 4.39Å; M183-F187 HydrophobicContact CB-CE2 3.86Å; M183-F187 HydrophobicContact CB-CZ 3.82Å; M183-F187 HydrophobicContact CE-CE2 4.03Å; M183-F187 HydrophobicContact CE-CZ 3.58Å; M183-F187 HydrophobicContact CG-CZ 4.37Å; M183-F187 WeakPolarHBondContact O-CD1 3.28Å; M183-F187 WeakPolarHBondContact O-CD2 3.4Å; M183-F187 WeakPolarHBondContact O-CG 3.21Å; M183-F187 PolarHBondContact O-N 2.92Å
184I98.1Very high95.6Very high0 Ų059 Ų590%031%0.307CS..Hα-helixtrans-62.9-51.7-176.8-67.7179.2000111.6L180 K186 F187 L188 A216 L217 H220L180-I184 HydrophobicContact CB-CD1 4.11Å; L180-I184 HydrophobicContact CB-CG1 4.31Å; L180-I184 HydrophobicContact CD2-CG1 4.4Å; L180-I184 WeakPolarHBondContact O-CB 3.36Å; L180-I184 PolarHBondContact O-N 3.25Å; I184-K186 PolarHBondContact O-N 3.22Å; I184-F187 PolarHBondContact O-N 3.15Å; I184-F187 VanDerWaalsContact O-N 3.17Å; I184-L188 HydrophobicContact CG2-CD1 4.27Å; I184-L188 WeakPolarHBondContact O-CG 3.32Å; I184-L188 PolarHBondContact O-N 2.94Å; I184-A216 HydrophobicContact CD1-CB 3.79Å; I184-L217 HydrophobicContact CD1-CB 3.75Å; I184-L217 HydrophobicContact CG2-CD1 4.16Å; I184-H220 HydrophobicContact CG2-CB 4.35Å
185P97.9Very high96Very high35 Ų3554.5 Ų54.523%0.22728%0.284CS..Hα-helixtrans-58-33.3175.2-26.236000113.1N181 Q189 H220N181-P185 WeakPolarHBondContact O-CG 3.37Å; P185-Q189 WeakPolarHBondContact O-CG 3.12Å; P185-Q189 PolarHBondContact O-NE2 3.43Å; P185-H220 WeakPolarHBondContact CG-NE2 3.24Å
186K97.8Very high96.4Very high31 Ų3151.5 Ų51.514%0.13527%0.267CS..Hα-helixtrans-67.1-49.8176.1-174.163162.5-171.80111L145 D146 I182 M183 I184 L188 Q189 F190L145-K186 HydrophobicContact CD1-CG 4.24Å; D146-K186 IonicContact OD1-NZ 3.82Å; D146-K186 PolarHBondContact OD1-NZ 2.94Å; D146-K186 IonicContact OD2-NZ 3.7Å; D146-K186 PolarHBondContact OD2-NZ 3.02Å; I182-K186 WeakPolarHBondContact O-CB 3.34Å; I182-K186 PolarHBondContact O-N 2.72Å; M183-K186 CarbonylContact O-C 3.58Å; M183-K186 WeakPolarHBondContact O-CB 3.4Å; M183-K186 PolarHBondContact O-N 3.43Å; M183-K186 VanDerWaalsContact O-N 3.16Å; I184-K186 PolarHBondContact O-N 3.22Å; K186-L188 VanDerWaalsContact C-N 3.31Å; K186-L188 PolarHBondContact O-N 3.41Å; K186-Q189 WeakPolarHBondContact O-CB 3.4Å; K186-Q189 PolarHBondContact O-N 3.11Å; K186-Q189 VanDerWaalsContact O-N 3.09Å; K186-F190 HydrophobicContact CD-CE2 4.09Å; K186-F190 HydrophobicContact CG-CE2 4.24Å; K186-F190 VanDerWaalsContact O-CD2 3.28Å; K186-F190 WeakPolarHBondContact O-CD2 3.44Å
187F98.4Very high96.7Very high0 Ų054.1 Ų54.10%028%0.277CS..Hα-helixtrans-58.7-42.5179.1-60.3-22.6000112L145 F157 L160 M183 I184 Q189 F190 F191 C205 V206L145-F187 HydrophobicContact CD1-CD1 4.28Å; L145-F187 HydrophobicContact CD1-CE1 4.09Å; F157-F187 AromaticContact CE1-CD1 3.92Å; F157-F187 HydrophobicContact CE1-CD1 3.92Å; F157-F187 HydrophobicContact CE1-CE1 4.32Å; F157-F187 HydrophobicContact CZ-CD1 4.44Å; L160-F187 HydrophobicContact CD1-CE1 3.99Å; L160-F187 HydrophobicContact CD1-CZ 4.37Å; M183-F187 HydrophobicContact CB-CD2 4.49Å; M183-F187 HydrophobicContact CB-CE1 4.39Å; M183-F187 HydrophobicContact CB-CE2 3.86Å; M183-F187 HydrophobicContact CB-CZ 3.82Å; M183-F187 HydrophobicContact CE-CE2 4.03Å; M183-F187 HydrophobicContact CE-CZ 3.58Å; M183-F187 HydrophobicContact CG-CZ 4.37Å; M183-F187 WeakPolarHBondContact O-CD1 3.28Å; M183-F187 WeakPolarHBondContact O-CD2 3.4Å; M183-F187 WeakPolarHBondContact O-CG 3.21Å; M183-F187 PolarHBondContact O-N 2.92Å; I184-F187 PolarHBondContact O-N 3.15Å; I184-F187 VanDerWaalsContact O-N 3.17Å; F187-Q189 PolarHBondContact O-N 3.1Å; F187-Q189 VanDerWaalsContact O-N 3.13Å; F187-F190 PolarHBondContact O-N 2.9Å; F187-F191 WeakPolarHBondContact O-CD2 3.23Å; F187-C205 HydrophobicContact CD2-CB 3.7Å; F187-C205 HydrophobicContact CE2-CB 3.69Å; F187-C205 HydrophobicContact CG-CB 4.29Å; F187-C205 HydrophobicContact CZ-CB 4.28Å; F187-V206 HydrophobicContact CB-CG2 3.78Å; F187-V206 HydrophobicContact CD2-CG2 4.11Å; F187-V206 HydrophobicContact CG-CG2 4.46Å
188L98.1Very high97Very high11 Ų1147.2 Ų47.26%0.05824%0.239CC..Hα-helixtrans-57.1-29.2177.2-68.4176.1000113.3I184 K186 F190 F191 H220 F224I184-L188 HydrophobicContact CG2-CD1 4.27Å; I184-L188 WeakPolarHBondContact O-CG 3.32Å; I184-L188 PolarHBondContact O-N 2.94Å; K186-L188 VanDerWaalsContact C-N 3.31Å; K186-L188 PolarHBondContact O-N 3.41Å; L188-F190 VanDerWaalsContact C-N 3.25Å; L188-F190 PolarHBondContact O-N 3.32Å; L188-F191 HydrophobicContact CD2-CD2 4.46Å; L188-F191 HydrophobicContact CD2-CE1 4.23Å; L188-F191 HydrophobicContact CD2-CE2 4.03Å; L188-F191 HydrophobicContact CD2-CZ 3.89Å; L188-F191 PolarHBondContact O-N 3.31Å; L188-H220 HydrophobicContact CD1-CB 3.95Å; L188-F224 HydrophobicContact CD2-CB 4Å; L188-F224 HydrophobicContact CD2-CD2 3.8Å; L188-F224 HydrophobicContact CD2-CG 4.37Å
189Q97.4Very high97.3Very high124 Ų12445.1 Ų45.158%0.57923%0.232SC*.Hα-helixtrans-65.7-30.1175.5-63.9167.522.700112.2P185 K186 F187 F191P185-Q189 WeakPolarHBondContact O-CG 3.12Å; P185-Q189 PolarHBondContact O-NE2 3.43Å; K186-Q189 WeakPolarHBondContact O-CB 3.4Å; K186-Q189 PolarHBondContact O-N 3.11Å; K186-Q189 VanDerWaalsContact O-N 3.09Å; F187-Q189 PolarHBondContact O-N 3.1Å; F187-Q189 VanDerWaalsContact O-N 3.13Å; Q189-F191 VanDerWaalsContact C-N 3.35Å
190F98Very high97.4Very high19 Ų1944.9 Ų44.98%0.08323%0.23CC..Hα-helixtrans-84.9-4.6-178-69.7-89.8000113.8L145 F157 K186 F187 L188 K192 H193 I198 A202L145-F190 HydrophobicContact CB-CE1 4.43Å; L145-F190 HydrophobicContact CB-CE2 3.96Å; L145-F190 HydrophobicContact CB-CZ 3.66Å; L145-F190 HydrophobicContact CD1-CE2 4.28Å; L145-F190 WeakPolarHBondContact O-CE1 3.46Å; L145-F190 VanDerWaalsContact O-CZ 3.27Å; L145-F190 WeakPolarHBondContact O-CZ 3.22Å; F157-F190 HydrophobicContact CE2-CB 4.02Å; F157-F190 AromaticContact CE2-CD1 3.66Å; F157-F190 HydrophobicContact CE2-CD1 3.66Å; F157-F190 HydrophobicContact CE2-CD2 4.05Å; F157-F190 HydrophobicContact CE2-CE1 4.11Å; F157-F190 HydrophobicContact CE2-CE2 4.48Å; F157-F190 AromaticContact CE2-CG 3.63Å; F157-F190 HydrophobicContact CE2-CG 3.63Å; F157-F190 HydrophobicContact CZ-CB 3.68Å; F157-F190 HydrophobicContact CZ-CD1 4.08Å; F157-F190 AromaticContact CZ-CD2 3.69Å; F157-F190 HydrophobicContact CZ-CD2 3.69Å; F157-F190 HydrophobicContact CZ-CE2 4.36Å; F157-F190 AromaticContact CZ-CG 3.54Å; F157-F190 HydrophobicContact CZ-CG 3.54Å; K186-F190 HydrophobicContact CD-CE2 4.09Å; K186-F190 HydrophobicContact CG-CE2 4.24Å; K186-F190 VanDerWaalsContact O-CD2 3.28Å; K186-F190 WeakPolarHBondContact O-CD2 3.44Å; F187-F190 PolarHBondContact O-N 2.9Å; L188-F190 VanDerWaalsContact C-N 3.25Å; L188-F190 PolarHBondContact O-N 3.32Å; F190-K192 PolarHBondContact O-N 2.98Å; F190-K192 VanDerWaalsContact O-N 3.15Å; F190-H193 HydrophobicContact CB-CB 4.46Å; F190-H193 HydrophobicContact CD1-CB 4.33Å; F190-H193 AromaticContact CD1-CD2 3.89Å; F190-H193 WeakPolarHBondContact O-CB 3.25Å; F190-H193 PolarHBondContact O-N 2.85Å; F190-I198 HydrophobicContact CB-CG2 4.14Å; F190-I198 HydrophobicContact CD1-CG2 3.76Å; F190-I198 HydrophobicContact CG-CG2 4.34Å; F190-A202 HydrophobicContact CB-CB 3.79Å
191F98.2Very high97.5Very high3 Ų346 Ų461%0.01324%0.235CC..THydrogen-bonded Turntrans-63.5-19.3171.5-77.8-136.4000111.3F187 L188 Q189 R199 A202 V203 V206 F224 N227 L228 L231F187-F191 WeakPolarHBondContact O-CD2 3.23Å; L188-F191 HydrophobicContact CD2-CD2 4.46Å; L188-F191 HydrophobicContact CD2-CE1 4.23Å; L188-F191 HydrophobicContact CD2-CE2 4.03Å; L188-F191 HydrophobicContact CD2-CZ 3.89Å; L188-F191 PolarHBondContact O-N 3.31Å; Q189-F191 VanDerWaalsContact C-N 3.35Å; F191-R199 WeakPolarHBondContact O-CD 3.27Å; F191-A202 HydrophobicContact CD2-CB 3.82Å; F191-A202 HydrophobicContact CE2-CB 3.92Å; F191-A202 WeakPolarHBondContact CE2-O 3.31Å; F191-V203 HydrophobicContact CD1-CG2 3.94Å; F191-V203 HydrophobicContact CD2-CG2 4.42Å; F191-V203 HydrophobicContact CE1-CB 4.42Å; F191-V203 HydrophobicContact CE1-CG2 3.67Å; F191-V203 HydrophobicContact CE2-CG2 4.16Å; F191-V203 HydrophobicContact CG-CG2 4.33Å; F191-V203 HydrophobicContact CZ-CB 4.17Å; F191-V203 HydrophobicContact CZ-CG2 3.79Å; F191-V206 HydrophobicContact CE2-CG2 4.05Å; F191-V206 HydrophobicContact CZ-CB 4.31Å; F191-V206 HydrophobicContact CZ-CG2 4.08Å; F191-F224 AromaticContact CE1-CD2 3.78Å; F191-F224 HydrophobicContact CE1-CD2 3.78Å; F191-F224 AromaticContact CE1-CE2 3.73Å; F191-F224 HydrophobicContact CE1-CE2 3.73Å; F191-F224 AromaticContact CZ-CD2 3.81Å; F191-F224 HydrophobicContact CZ-CD2 3.81Å; F191-F224 AromaticContact CZ-CE2 3.67Å; F191-F224 HydrophobicContact CZ-CE2 3.67Å; F191-N227 HydrophobicContact CB-CB 4.07Å; F191-N227 HydrophobicContact CD1-CB 3.49Å; F191-N227 VanDerWaalsContact CD1-CB 3.49Å; F191-N227 HydrophobicContact CE1-CB 4.2Å; F191-N227 HydrophobicContact CG-CB 4.06Å; F191-L228 HydrophobicContact CE1-CD2 4.13Å; F191-L231 HydrophobicContact CB-CD1 3.99Å; F191-L231 HydrophobicContact CD1-CD1 3.46Å; F191-L231 VanDerWaalsContact CD1-CD1 3.46Å; F191-L231 HydrophobicContact CD1-CG 4.47Å; F191-L231 HydrophobicContact CE1-CD1 4.24Å; F191-L231 HydrophobicContact CG-CD1 3.93Å; F191-L231 VanDerWaalsContact O-CD2 3.26Å; F191-L231 WeakPolarHBondContact O-CD2 3.43Å
192K96.1Very high97.6Very high159 Ų15942.2 Ų42.269%0.69122%0.215SC*.THydrogen-bonded Turntrans-104.512.1176.5-60.2179.6-174.6174.30113.1F190 N227F190-K192 PolarHBondContact O-N 2.98Å; F190-K192 VanDerWaalsContact O-N 3.15Å; K192-N227 VanDerWaalsContact CE-OD1 3.28Å; K192-N227 WeakPolarHBondContact CE-OD1 3.16Å
193H96.8Very high97.7Very high52 Ų5236.2 Ų36.224%0.24119%0.185CC..  trans-65.5146.7-178-169.6-89.7000111.3F190 S195 I198 R199F190-H193 HydrophobicContact CB-CB 4.46Å; F190-H193 HydrophobicContact CD1-CB 4.33Å; F190-H193 AromaticContact CD1-CD2 3.89Å; F190-H193 WeakPolarHBondContact O-CB 3.25Å; F190-H193 PolarHBondContact O-N 2.85Å; H193-S195 VanDerWaalsContact C-N 3.33Å; H193-S195 WeakPolarHBondContact ND1-CB 3.33Å; H193-S195 PolarHBondContact ND1-N 3.18Å; H193-S195 PolarHBondContact O-N 3.37Å; H193-I198 HydrophobicContact CB-CB 4.4Å; H193-I198 HydrophobicContact CB-CG2 3.77Å; H193-I198 WeakPolarHBondContact CE1-CD1 3.26Å; H193-R199 HydrophobicContact CB-CG 4.17Å; H193-R199 WeakPolarHBondContact O-CD 3.27Å; H193-R199 VanDerWaalsContact O-CG 3.27Å; H193-R199 WeakPolarHBondContact O-CG 3.4Å; H193-R199 PolarHBondContact O-NH1 3.11Å
194S95.9Very high97.7Very high107 Ų10736.2 Ų36.275%0.74819%0.185SC*.SBendtrans-64.8-35.8-177.255.80000113.1R199S194-R199 PolarHBondContact O-NH1 3.3Å
195S97.1Very high97.7Very high19 Ų1936.2 Ų36.213%0.13319%0.185CC..SBendtrans-78.1123.1175.6174.10000112.2Y150 H193 K197 I198 R199Y150-S195 WeakPolarHBondContact CE2-OG 3.49Å; H193-S195 VanDerWaalsContact C-N 3.33Å; H193-S195 WeakPolarHBondContact ND1-CB 3.33Å; H193-S195 PolarHBondContact ND1-N 3.18Å; H193-S195 PolarHBondContact O-N 3.37Å; S195-K197 VanDerWaalsContact C-N 3.3Å; S195-K197 PolarHBondContact O-N 2.98Å; S195-K197 PolarHBondContact OG-N 3.46Å; S195-I198 PolarHBondContact O-N 3.17Å; S195-R199 PolarHBondContact O-N 2.93Å
196P97.5Very high97.7Very high37 Ų3734.5 Ų34.524%0.2417%0.174CC..Hα-helixtrans-61.9-35.5177.123.7-32.5000113I198 R199 S200 E236 V239P196-I198 VanDerWaalsContact C-N 3.33Å; P196-I198 PolarHBondContact O-N 3.21Å; P196-R199 VanDerWaalsContact CA-CZ 3.49Å; P196-R199 PolarHBondContact O-N 3.18Å; P196-S200 WeakPolarHBondContact O-CB 3.47Å; P196-S200 PolarHBondContact O-N 2.98Å; P196-E236 HydrophobicContact CB-CB 3.53Å; P196-E236 HydrophobicContact CB-CG 3.74Å; P196-E236 HydrophobicContact CG-CB 4.42Å; P196-E236 HydrophobicContact CG-CG 4.44Å; P196-V239 HydrophobicContact CB-CG2 4.34Å; P196-V239 VanDerWaalsContact O-CG2 3.3Å; P196-V239 WeakPolarHBondContact O-CG2 3.49Å
197K96.7Very high97.8Very high90 Ų9033.2 Ų33.239%0.39117%0.169SC..Hα-helixtrans-61.4-41.6178-167.5173.8-171.2-1710112.2E154 S195 S200 H201E154-K197 HydrophobicContact CG-CD 4.02Å; E154-K197 WeakPolarHBondContact OE1-CE 3.39Å; E154-K197 IonicContact OE1-NZ 3.42Å; E154-K197 PolarHBondContact OE1-NZ 2.85Å; S195-K197 VanDerWaalsContact C-N 3.3Å; S195-K197 PolarHBondContact O-N 2.98Å; S195-K197 PolarHBondContact OG-N 3.46Å; K197-S200 PolarHBondContact O-N 2.94Å; K197-H201 PolarHBondContact O-CD2 3.23Å; K197-H201 VanDerWaalsContact O-CD2 3.23Å; K197-H201 PolarHBondContact O-N 3.47Å
198I98Very high97.7Very high1 Ų135.4 Ų35.41%0.00518%0.179CC..Hα-helixtrans-68.7-39.7176.4-73.5168.8000111.1Y150 C153 F157 F190 H193 S195 P196 S200 H201 A202Y150-I198 HydrophobicContact CD2-CD1 3.66Å; Y150-I198 HydrophobicContact CE2-CD1 3.69Å; Y150-I198 HydrophobicContact CE2-CG1 4.14Å; C153-I198 HydrophobicContact CB-CD1 4.17Å; F157-I198 HydrophobicContact CD2-CG1 4.45Å; F157-I198 HydrophobicContact CD2-CG2 3.89Å; F157-I198 HydrophobicContact CE2-CG2 3.63Å; F157-I198 HydrophobicContact CZ-CG2 4.49Å; F190-I198 HydrophobicContact CB-CG2 4.14Å; F190-I198 HydrophobicContact CD1-CG2 3.76Å; F190-I198 HydrophobicContact CG-CG2 4.34Å; H193-I198 HydrophobicContact CB-CB 4.4Å; H193-I198 HydrophobicContact CB-CG2 3.77Å; H193-I198 WeakPolarHBondContact CE1-CD1 3.26Å; S195-I198 PolarHBondContact O-N 3.17Å; P196-I198 VanDerWaalsContact C-N 3.33Å; P196-I198 PolarHBondContact O-N 3.21Å; I198-S200 VanDerWaalsContact C-N 3.33Å; I198-S200 PolarHBondContact O-N 3.36Å; I198-H201 PolarHBondContact O-N 3.31Å; I198-A202 WeakPolarHBondContact O-CB 3.24Å; I198-A202 PolarHBondContact O-N 3.41Å
199R98.2Very high97.7Very high37 Ų3734.9 Ų34.914%0.1418%0.176CC..Hα-helixtrans-58.6-47.4173-62.4-165.4-60.4-85.14.8110.8F191 H193 S194 S195 P196 H201 A202 V203 D234 V239F191-R199 WeakPolarHBondContact O-CD 3.27Å; H193-R199 HydrophobicContact CB-CG 4.17Å; H193-R199 WeakPolarHBondContact O-CD 3.27Å; H193-R199 VanDerWaalsContact O-CG 3.27Å; H193-R199 WeakPolarHBondContact O-CG 3.4Å; H193-R199 PolarHBondContact O-NH1 3.11Å; S194-R199 PolarHBondContact O-NH1 3.3Å; S195-R199 PolarHBondContact O-N 2.93Å; P196-R199 VanDerWaalsContact CA-CZ 3.49Å; P196-R199 PolarHBondContact O-N 3.18Å; R199-H201 PolarHBondContact O-N 3.34Å; R199-A202 PolarHBondContact O-N 3.12Å; R199-V203 WeakPolarHBondContact O-CG2 3.44Å; R199-V203 PolarHBondContact O-N 3.17Å; R199-D234 IonicContact CZ-OD1 3.88Å; R199-D234 IonicContact CZ-OD2 2.86Å; R199-D234 IonicContact NE-OD2 2.86Å; R199-D234 PolarHBondContact NE-OD2 2.89Å; R199-D234 IonicContact NH2-OD1 2.72Å; R199-D234 PolarHBondContact NH2-OD1 3.19Å; R199-D234 IonicContact NH2-OD2 3.79Å; R199-D234 PolarHBondContact NH2-OD2 3.07Å; R199-V239 HydrophobicContact CB-CG2 4.12Å
200S98.2Very high97.7Very high11 Ų1129 Ų298%0.07715%0.148CC..Hα-helixtrans-58-49.8178.2-179.40000111.9P196 K197 I198 A202 V203 A204 E238 N242P196-S200 WeakPolarHBondContact O-CB 3.47Å; P196-S200 PolarHBondContact O-N 2.98Å; K197-S200 PolarHBondContact O-N 2.94Å; I198-S200 VanDerWaalsContact C-N 3.33Å; I198-S200 PolarHBondContact O-N 3.36Å; S200-A202 VanDerWaalsContact C-N 3.32Å; S200-A202 PolarHBondContact O-N 2.75Å; S200-V203 PolarHBondContact O-N 3.13Å; S200-A204 WeakPolarHBondContact O-CB 3.48Å; S200-A204 PolarHBondContact O-N 3.31Å; S200-E238 PolarHBondContact OG-O 3.34Å; S200-N242 PolarHBondContact OG-ND2 3.25Å
201H98.2Very high97.6Very high22 Ų2232.1 Ų32.110%0.10217%0.165CC..Hα-helixtrans-57.9-43.1175.3-74-48.7000112.7E154 F157 Q161 K197 I198 R199 V203 A204 C205E154-H201 IonicContact OE1-NE2 3.94Å; F157-H201 HydrophobicContact CB-CB 3.7Å; F157-H201 HydrophobicContact CD1-CB 3.81Å; F157-H201 HydrophobicContact CG-CB 3.84Å; Q161-H201 PolarHBondContact OE1-CE1 3.05Å; Q161-H201 PolarHBondContact OE1-ND1 2.81Å; K197-H201 PolarHBondContact O-CD2 3.23Å; K197-H201 VanDerWaalsContact O-CD2 3.23Å; K197-H201 PolarHBondContact O-N 3.47Å; I198-H201 PolarHBondContact O-N 3.31Å; R199-H201 PolarHBondContact O-N 3.34Å; H201-V203 PolarHBondContact O-N 3.11Å; H201-A204 PolarHBondContact O-N 3.4Å; H201-C205 PolarHBondContact O-N 3.42Å; H201-C205 PolarHBondContact O-SG 2.8Å
202A98.5Very high97.4Very high0 Ų035.4 Ų35.40%019%0.188CC..Hα-helixtrans-62.2-43.1179.500000112F157 F190 F191 I198 R199 S200 V206F157-A202 HydrophobicContact CE1-CB 3.94Å; F157-A202 HydrophobicContact CZ-CB 4.03Å; F190-A202 HydrophobicContact CB-CB 3.79Å; F191-A202 HydrophobicContact CD2-CB 3.82Å; F191-A202 HydrophobicContact CE2-CB 3.92Å; F191-A202 WeakPolarHBondContact CE2-O 3.31Å; I198-A202 WeakPolarHBondContact O-CB 3.24Å; I198-A202 PolarHBondContact O-N 3.41Å; R199-A202 PolarHBondContact O-N 3.12Å; S200-A202 VanDerWaalsContact C-N 3.32Å; S200-A202 PolarHBondContact O-N 2.75Å; A202-V206 WeakPolarHBondContact O-CG2 3.35Å; A202-V206 PolarHBondContact O-N 3.49Å
203V98.6Very high97.4Very high0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-64.5-48.5175.1-176.40000110.3F191 R199 S200 H201 C205 V206 N207 L228 L231 N242F191-V203 HydrophobicContact CD1-CG2 3.94Å; F191-V203 HydrophobicContact CD2-CG2 4.42Å; F191-V203 HydrophobicContact CE1-CB 4.42Å; F191-V203 HydrophobicContact CE1-CG2 3.67Å; F191-V203 HydrophobicContact CE2-CG2 4.16Å; F191-V203 HydrophobicContact CG-CG2 4.33Å; F191-V203 HydrophobicContact CZ-CB 4.17Å; F191-V203 HydrophobicContact CZ-CG2 3.79Å; R199-V203 WeakPolarHBondContact O-CG2 3.44Å; R199-V203 PolarHBondContact O-N 3.17Å; S200-V203 PolarHBondContact O-N 3.13Å; H201-V203 PolarHBondContact O-N 3.11Å; V203-C205 VanDerWaalsContact C-N 3.3Å; V203-C205 PolarHBondContact O-N 3.23Å; V203-V206 PolarHBondContact O-N 3.2Å; V203-V206 VanDerWaalsContact O-N 3.08Å; V203-N207 WeakPolarHBondContact O-CB 3.33Å; V203-N207 VanDerWaalsContact O-CG 3.28Å; V203-N207 PolarHBondContact O-N 3.16Å; V203-N207 PolarHBondContact O-OD1 3.13Å; V203-L228 HydrophobicContact CG1-CD2 4Å; V203-L231 HydrophobicContact CG2-CD1 3.47Å; V203-L231 VanDerWaalsContact CG2-CD1 3.47Å; V203-N242 HydrophobicContact CB-CB 4.04Å; V203-N242 HydrophobicContact CG1-CB 3.7Å
204A98.2Very high97.3Very high2 Ų231.9 Ų31.92%0.01717%0.169CC..Hα-helixtrans-59.1-37.4-179.700000113.2Q161 S200 H201 Q208Q161-A204 HydrophobicContact CG-CB 4.17Å; S200-A204 WeakPolarHBondContact O-CB 3.48Å; S200-A204 PolarHBondContact O-N 3.31Å; H201-A204 PolarHBondContact O-N 3.4Å; A204-Q208 WeakPolarHBondContact O-CG 3.18Å; A204-Q208 PolarHBondContact O-NE2 3.24Å
205C98.4Very high97.2Very high0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-62.4-46.6173.4-72.30000111.9Q161 F187 H201 V203 N207 F209Q161-C205 WeakPolarHBondContact CA-SG 3.25Å; F187-C205 HydrophobicContact CD2-CB 3.7Å; F187-C205 HydrophobicContact CE2-CB 3.69Å; F187-C205 HydrophobicContact CG-CB 4.29Å; F187-C205 HydrophobicContact CZ-CB 4.28Å; H201-C205 PolarHBondContact O-N 3.42Å; H201-C205 PolarHBondContact O-SG 2.8Å; V203-C205 VanDerWaalsContact C-N 3.3Å; V203-C205 PolarHBondContact O-N 3.23Å; C205-N207 VanDerWaalsContact C-N 3.34Å; C205-F209 VanDerWaalsContact O-CD2 3.25Å; C205-F209 WeakPolarHBondContact O-CD2 3.46Å; C205-F209 WeakPolarHBondContact O-CE2 3.41Å
206V98.4Very high97.1Very high0 Ų030.9 Ų30.90%015%0.15CC..Hα-helixtrans-69.3-35.4-178.2179.30000111.2F187 F191 A202 V203 Q208 F209 L217 F224F187-V206 HydrophobicContact CB-CG2 3.78Å; F187-V206 HydrophobicContact CD2-CG2 4.11Å; F187-V206 HydrophobicContact CG-CG2 4.46Å; F191-V206 HydrophobicContact CE2-CG2 4.05Å; F191-V206 HydrophobicContact CZ-CB 4.31Å; F191-V206 HydrophobicContact CZ-CG2 4.08Å; A202-V206 WeakPolarHBondContact O-CG2 3.35Å; A202-V206 PolarHBondContact O-N 3.49Å; V203-V206 PolarHBondContact O-N 3.2Å; V203-V206 VanDerWaalsContact O-N 3.08Å; V206-Q208 PolarHBondContact O-N 3.32Å; V206-F209 PolarHBondContact O-N 3.41Å; V206-F209 VanDerWaalsContact O-N 3.08Å; V206-L217 HydrophobicContact CG1-CD1 3.6Å; V206-L217 HydrophobicContact CG1-CD2 4.34Å; V206-F224 HydrophobicContact CB-CD2 4.43Å; V206-F224 HydrophobicContact CB-CE2 3.99Å; V206-F224 HydrophobicContact CB-CZ 4.45Å; V206-F224 HydrophobicContact CG1-CD1 4.41Å; V206-F224 HydrophobicContact CG1-CD2 3.66Å; V206-F224 HydrophobicContact CG1-CE1 4.26Å; V206-F224 HydrophobicContact CG1-CE2 3.49Å; V206-F224 VanDerWaalsContact CG1-CE2 3.49Å; V206-F224 HydrophobicContact CG1-CG 4.11Å; V206-F224 HydrophobicContact CG1-CZ 3.8Å
207N98.2Very high97.2Very high4 Ų429.1 Ų29.12%0.02114%0.139CC..Hα-helixtrans-54.5-34.4178.9-80.77.7000113.6V203 C205 F209 I210 N242 A246 M249V203-N207 WeakPolarHBondContact O-CB 3.33Å; V203-N207 VanDerWaalsContact O-CG 3.28Å; V203-N207 PolarHBondContact O-N 3.16Å; V203-N207 PolarHBondContact O-OD1 3.13Å; C205-N207 VanDerWaalsContact C-N 3.34Å; N207-F209 PolarHBondContact O-N 3.28Å; N207-I210 PolarHBondContact O-N 2.75Å; N207-N242 PolarHBondContact ND2-O 3.48Å; N207-A246 WeakPolarHBondContact OD1-CB 3.33Å; N207-M249 HydrophobicContact CB-CE 3.47Å; N207-M249 VanDerWaalsContact CB-CE 3.47Å
208Q97.3Very high97.2Very high46 Ų4626.3 Ų26.322%0.21513%0.128CC..THydrogen-bonded Turntrans-60.5-15.9179.4-55.5-51.8-43.800114.1C164 E165 A204 V206C164-Q208 HydrophobicContact CB-CB 4.21Å; C164-Q208 HydrophobicContact CB-CG 3.9Å; E165-Q208 HydrophobicContact CB-CG 4.46Å; A204-Q208 WeakPolarHBondContact O-CG 3.18Å; A204-Q208 PolarHBondContact O-NE2 3.24Å; V206-Q208 PolarHBondContact O-N 3.32Å
209F97.7Very high97.2Very high0 Ų031.7 Ų31.70%016%0.156CC..THydrogen-bonded Turntrans-112.45.5-172.2-54.2-67.4000114C164 A168 L171 L180 C205 V206 N207 T214 L217C164-F209 HydrophobicContact CB-CE2 3.86Å; C164-F209 HydrophobicContact CB-CZ 3.68Å; A168-F209 HydrophobicContact CB-CD1 4.36Å; A168-F209 HydrophobicContact CB-CE1 3.99Å; L171-F209 HydrophobicContact CB-CE1 4.35Å; L171-F209 HydrophobicContact CD1-CE1 4.15Å; L171-F209 HydrophobicContact CD1-CZ 3.77Å; L180-F209 HydrophobicContact CD1-CD1 3.7Å; L180-F209 HydrophobicContact CD1-CE1 3.71Å; L180-F209 HydrophobicContact CD1-CG 4.24Å; L180-F209 HydrophobicContact CD1-CZ 4.29Å; L180-F209 HydrophobicContact CD2-CD1 4.29Å; L180-F209 HydrophobicContact CD2-CD2 4.23Å; L180-F209 HydrophobicContact CD2-CE1 3.74Å; L180-F209 HydrophobicContact CD2-CE2 3.69Å; L180-F209 HydrophobicContact CD2-CZ 3.43Å; L180-F209 VanDerWaalsContact CD2-CZ 3.43Å; L180-F209 HydrophobicContact CG-CE1 4.35Å; L180-F209 HydrophobicContact CG-CZ 4.49Å; C205-F209 VanDerWaalsContact O-CD2 3.25Å; C205-F209 WeakPolarHBondContact O-CD2 3.46Å; C205-F209 WeakPolarHBondContact O-CE2 3.41Å; V206-F209 PolarHBondContact O-N 3.41Å; V206-F209 VanDerWaalsContact O-N 3.08Å; N207-F209 PolarHBondContact O-N 3.28Å; F209-T214 HydrophobicContact CB-CG2 3.84Å; F209-T214 HydrophobicContact CD1-CG2 3.83Å; F209-T214 HydrophobicContact CG-CG2 4.24Å; F209-L217 HydrophobicContact CB-CD2 4.22Å; F209-L217 WeakPolarHBondContact O-CD2 3.47Å
210I97.5Very high97.1Very high0 Ų033.1 Ų33.10%016%0.164CC..THydrogen-bonded Turntrans-73.1-61.2-178.9-58.7175.5000110N207 S212 R213 L217 F224 A246 M249 L250 V253N207-I210 PolarHBondContact O-N 2.75Å; I210-S212 VanDerWaalsContact C-N 3.31Å; I210-S212 PolarHBondContact O-N 3.04Å; I210-R213 PolarHBondContact O-N 3.15Å; I210-L217 HydrophobicContact CB-CD2 4.41Å; I210-L217 HydrophobicContact CG1-CD2 3.81Å; I210-F224 HydrophobicContact CD1-CE1 3.62Å; I210-F224 HydrophobicContact CD1-CZ 3.81Å; I210-F224 HydrophobicContact CG1-CE1 4.02Å; I210-F224 HydrophobicContact CG1-CZ 4.44Å; I210-A246 HydrophobicContact CD1-CB 4.14Å; I210-M249 HydrophobicContact CB-CB 4Å; I210-M249 HydrophobicContact CB-SD 4.43Å; I210-M249 HydrophobicContact CD1-CB 4.07Å; I210-M249 HydrophobicContact CD1-CE 3.78Å; I210-M249 HydrophobicContact CD1-SD 4.47Å; I210-M249 HydrophobicContact CG2-CB 3.65Å; I210-L250 HydrophobicContact CD1-CG 4.34Å; I210-L250 HydrophobicContact CG2-CD2 3.98Å; I210-L250 HydrophobicContact CG2-CG 4.16Å; I210-V253 HydrophobicContact CG2-CB 4.11Å; I210-V253 HydrophobicContact CG2-CG2 3.98Å; I210-V253 WeakPolarHBondContact O-CG1 3.42Å
211I96.1Very high97.1Very high85 Ų8532.8 Ų32.844%0.43616%0.161SC..THydrogen-bonded Turntrans-57.8-41.9-176.5-60.1-56000112R213 M249 E252 V253I211-R213 PolarHBondContact O-N 3.37Å; I211-R213 VanDerWaalsContact O-N 3.16Å; I211-M249 HydrophobicContact CD1-CB 3.78Å; I211-M249 HydrophobicContact CD1-CG 3.88Å; I211-M249 HydrophobicContact CG1-CB 4.3Å; I211-M249 HydrophobicContact CG1-CG 4.06Å; I211-M249 HydrophobicContact CG1-SD 4.07Å; I211-E252 WeakPolarHBondContact CD1-OE2 3.15Å; I211-V253 HydrophobicContact CD1-CG2 3.84Å
212S93.9Very high97.1Very high71 Ų7135.5 Ų35.550%0.49718%0.176SC..THydrogen-bonded Turntrans-71.5-4.1178.754.40000114.6I210 T214I210-S212 VanDerWaalsContact C-N 3.31Å; I210-S212 PolarHBondContact O-N 3.04Å; S212-T214 VanDerWaalsContact C-N 3.25Å; S212-T214 PolarHBondContact O-N 3.36Å; S212-T214 WeakPolarHBondContact OG-CG2 3.44Å
213R95.3Very high97Very high136 Ų13637.7 Ų37.751%0.51319%0.192SC..THydrogen-bonded Turntrans5535.5176.2-65.8169.1-172.5-99.20.2114.1I210 I211 Q215 M218 E252 V253I210-R213 PolarHBondContact O-N 3.15Å; I211-R213 PolarHBondContact O-N 3.37Å; I211-R213 VanDerWaalsContact O-N 3.16Å; R213-Q215 PolarHBondContact O-N 3.27Å; R213-M218 HydrophobicContact CB-CE 4.29Å; R213-M218 HydrophobicContact CG-CE 4.38Å; R213-E252 PolarHBondContact NH2-O 3.39Å; R213-V253 HydrophobicContact CG-CG1 3.42Å; R213-V253 VanDerWaalsContact CG-CG1 3.42Å; R213-V253 PolarHBondContact NH1-O 2.84Å
214T94.5Very high97Very high2 Ų237.7 Ų37.71%0.01219%0.192CC..  trans-53.7138.5-175.563.80000112.1D172 L180 F209 S212 A216 L217 M218D172-T214 HydrophobicContact CB-CG2 3.96Å; D172-T214 WeakPolarHBondContact OD2-CA 3.21Å; D172-T214 WeakPolarHBondContact OD2-CB 3.4Å; L180-T214 HydrophobicContact CD1-CG2 3.95Å; F209-T214 HydrophobicContact CB-CG2 3.84Å; F209-T214 HydrophobicContact CD1-CG2 3.83Å; F209-T214 HydrophobicContact CG-CG2 4.24Å; S212-T214 VanDerWaalsContact C-N 3.25Å; S212-T214 PolarHBondContact O-N 3.36Å; S212-T214 WeakPolarHBondContact OG-CG2 3.44Å; T214-A216 PolarHBondContact O-N 2.92Å; T214-L217 PolarHBondContact O-N 3.42Å; T214-L217 VanDerWaalsContact O-N 3.15Å; T214-L217 VanDerWaalsContact OG1-CB 3.31Å; T214-L217 WeakPolarHBondContact OG1-CB 3.33Å; T214-L217 PolarHBondContact OG1-N 3.26Å; T214-M218 WeakPolarHBondContact O-CG 3.47Å; T214-M218 PolarHBondContact O-N 2.75Å
215Q94.8Very high97Very high105 Ų10538 Ų3849%0.49119%0.193SC..Hα-helixtrans-62.5-36.8-174.2-176.559.638.500111.6R213 M218 L219R213-Q215 PolarHBondContact O-N 3.27Å; Q215-M218 PolarHBondContact O-N 3.4Å; Q215-L219 HydrophobicContact CG-CD1 4.48Å; Q215-L219 VanDerWaalsContact O-CG 3.31Å; Q215-L219 WeakPolarHBondContact O-CG 3.45Å; Q215-L219 PolarHBondContact O-N 3.1Å
216A95.8Very high96.9Very high0 Ų044.6 Ų44.60%022%0.224CC..Hα-helixtrans-60.9-44.517700000111.9L180 N181 I184 T214 H220L180-A216 HydrophobicContact CB-CB 3.64Å; N181-A216 WeakPolarHBondContact OD1-CB 3.39Å; I184-A216 HydrophobicContact CD1-CB 3.79Å; T214-A216 PolarHBondContact O-N 2.92Å; A216-H220 PolarHBondContact O-CD2 3.3Å
217L97.7Very high96.9Very high0 Ų045.3 Ų45.30%023%0.227CC..Hα-helixtrans-67.1-42.9175.4-176.454.5000111.1I184 V206 F209 I210 T214 L219 H220 I221 F224I184-L217 HydrophobicContact CD1-CB 3.75Å; I184-L217 HydrophobicContact CG2-CD1 4.16Å; V206-L217 HydrophobicContact CG1-CD1 3.6Å; V206-L217 HydrophobicContact CG1-CD2 4.34Å; F209-L217 HydrophobicContact CB-CD2 4.22Å; F209-L217 WeakPolarHBondContact O-CD2 3.47Å; I210-L217 HydrophobicContact CB-CD2 4.41Å; I210-L217 HydrophobicContact CG1-CD2 3.81Å; T214-L217 PolarHBondContact O-N 3.42Å; T214-L217 VanDerWaalsContact O-N 3.15Å; T214-L217 VanDerWaalsContact OG1-CB 3.31Å; T214-L217 WeakPolarHBondContact OG1-CB 3.33Å; T214-L217 PolarHBondContact OG1-N 3.26Å; L217-L219 PolarHBondContact O-N 2.86Å; L217-H220 CarbonylContact O-C 3.6Å; L217-H220 VanDerWaalsContact O-C 3.3Å; L217-H220 WeakPolarHBondContact O-CA 3.38Å; L217-H220 PolarHBondContact O-N 3.49Å; L217-I221 HydrophobicContact CG-CD1 4.3Å; L217-I221 WeakPolarHBondContact O-CA 3.4Å; L217-I221 PolarHBondContact O-N 3.34Å; L217-F224 HydrophobicContact CD1-CB 4.22Å; L217-F224 HydrophobicContact CD1-CD1 4.12Å; L217-F224 HydrophobicContact CD1-CG 4.18Å
218M97.5Very high96.9Very high31 Ų3145.1 Ų45.115%0.15323%0.226CC..Hα-helixtrans-61.6-29.8-178.5-68.7-57.9139.700113R213 T214 Q215 H220 I221 V253 R254R213-M218 HydrophobicContact CB-CE 4.29Å; R213-M218 HydrophobicContact CG-CE 4.38Å; T214-M218 WeakPolarHBondContact O-CG 3.47Å; T214-M218 PolarHBondContact O-N 2.75Å; Q215-M218 PolarHBondContact O-N 3.4Å; M218-H220 VanDerWaalsContact C-N 3.32Å; M218-I221 HydrophobicContact CE-CD1 4.32Å; M218-I221 WeakPolarHBondContact O-CG2 3.3Å; M218-I221 HydrophobicContact SD-CD1 4.46Å; M218-V253 HydrophobicContact CE-CG1 3.84Å; M218-R254 HydrophobicContact CE-CG 4.2Å; M218-R254 HydrophobicContact SD-CG 3.97Å
219L97.3Very high97Very high114 Ų11446 Ų4660%0.59723%0.23SC*.Hα-helixtrans-70.1-26.6171.9-71.1171.3000113.5Q215 L217Q215-L219 HydrophobicContact CG-CD1 4.48Å; Q215-L219 VanDerWaalsContact O-CG 3.31Å; Q215-L219 WeakPolarHBondContact O-CG 3.45Å; Q215-L219 PolarHBondContact O-N 3.1Å; L217-L219 PolarHBondContact O-N 2.86Å
220H97.6Very high96.9Very high66 Ų6649.5 Ų49.531%0.30626%0.258SS..Hα-helixtrans-111.611.9-177.8-67.3-68.6000113.6I184 P185 L188 A216 L217 M218 D222 S223 F224I184-H220 HydrophobicContact CG2-CB 4.35Å; P185-H220 WeakPolarHBondContact CG-NE2 3.24Å; L188-H220 HydrophobicContact CD1-CB 3.95Å; A216-H220 PolarHBondContact O-CD2 3.3Å; L217-H220 CarbonylContact O-C 3.6Å; L217-H220 VanDerWaalsContact O-C 3.3Å; L217-H220 WeakPolarHBondContact O-CA 3.38Å; L217-H220 PolarHBondContact O-N 3.49Å; M218-H220 VanDerWaalsContact C-N 3.32Å; H220-D222 VanDerWaalsContact C-N 3.34Å; H220-D222 PolarHBondContact O-N 3.03Å; H220-S223 WeakPolarHBondContact O-CB 3.44Å; H220-S223 PolarHBondContact O-N 3.45Å; H220-S223 VanDerWaalsContact O-N 3.15Å; H220-F224 PolarHBondContact O-N 2.56Å
221I97.6Very high96.9Very high4 Ų449.9 Ų49.92%0.02126%0.261CS..Hα-helixtrans-60.1-40.7-169.9-166.768.9000113.1L217 M218 F224 I225 L250 R254L217-I221 HydrophobicContact CG-CD1 4.3Å; L217-I221 WeakPolarHBondContact O-CA 3.4Å; L217-I221 PolarHBondContact O-N 3.34Å; M218-I221 HydrophobicContact CE-CD1 4.32Å; M218-I221 WeakPolarHBondContact O-CG2 3.3Å; M218-I221 HydrophobicContact SD-CD1 4.46Å; I221-F224 HydrophobicContact CD1-CD1 4.24Å; I221-F224 WeakPolarHBondContact O-CB 3.04Å; I221-F224 PolarHBondContact O-N 2.84Å; I221-I225 HydrophobicContact CG1-CD1 4.14Å; I221-I225 WeakPolarHBondContact O-CG1 3.39Å; I221-I225 PolarHBondContact O-N 3.24Å; I221-L250 HydrophobicContact CD1-CD2 3.7Å; I221-R254 HydrophobicContact CD1-CG 4.34Å; I221-R254 HydrophobicContact CG1-CG 4.21Å
222D97.4Very high96.9Very high80 Ų8046.8 Ų46.843%0.42825%0.248SC..Hα-helixtrans-67.1-41.8-179.2-59.9-32.4000110.1H220 F224 I225 E226 R257H220-D222 VanDerWaalsContact C-N 3.34Å; H220-D222 PolarHBondContact O-N 3.03Å; D222-F224 VanDerWaalsContact C-N 3.35Å; D222-F224 PolarHBondContact O-N 3.45Å; D222-I225 PolarHBondContact O-N 2.92Å; D222-E226 WeakPolarHBondContact O-CG 3.49Å; D222-E226 PolarHBondContact O-N 3.12Å; D222-R257 WeakPolarHBondContact OD1-CD 3.39Å; D222-R257 IonicContact OD1-NE 2.65Å; D222-R257 PolarHBondContact OD1-NE 3.19Å
223S97.6Very high96.8Very high46 Ų4646.8 Ų46.832%0.32226%0.259SS..Hα-helixtrans-63.5-39.8173.3179.60000111.8H220 E226 N227H220-S223 WeakPolarHBondContact O-CB 3.44Å; H220-S223 PolarHBondContact O-N 3.45Å; H220-S223 VanDerWaalsContact O-N 3.15Å; S223-E226 PolarHBondContact O-N 3.13Å; S223-N227 PolarHBondContact O-N 2.94Å; S223-N227 PolarHBondContact O-ND2 3.42Å; S223-N227 PolarHBondContact OG-ND2 2.96Å
224F98.4Very high96.9Very high0 Ų041.2 Ų41.20%024%0.239CC..Hα-helixtrans-61.1-49.8176.1174.3-127.1000111.3L188 F191 V206 I210 L217 H220 I221 D222 E226 N227 L228 A246 L250L188-F224 HydrophobicContact CD2-CB 4Å; L188-F224 HydrophobicContact CD2-CD2 3.8Å; L188-F224 HydrophobicContact CD2-CG 4.37Å; F191-F224 AromaticContact CE1-CD2 3.78Å; F191-F224 HydrophobicContact CE1-CD2 3.78Å; F191-F224 AromaticContact CE1-CE2 3.73Å; F191-F224 HydrophobicContact CE1-CE2 3.73Å; F191-F224 AromaticContact CZ-CD2 3.81Å; F191-F224 HydrophobicContact CZ-CD2 3.81Å; F191-F224 AromaticContact CZ-CE2 3.67Å; F191-F224 HydrophobicContact CZ-CE2 3.67Å; V206-F224 HydrophobicContact CB-CD2 4.43Å; V206-F224 HydrophobicContact CB-CE2 3.99Å; V206-F224 HydrophobicContact CB-CZ 4.45Å; V206-F224 HydrophobicContact CG1-CD1 4.41Å; V206-F224 HydrophobicContact CG1-CD2 3.66Å; V206-F224 HydrophobicContact CG1-CE1 4.26Å; V206-F224 HydrophobicContact CG1-CE2 3.49Å; V206-F224 VanDerWaalsContact CG1-CE2 3.49Å; V206-F224 HydrophobicContact CG1-CG 4.11Å; V206-F224 HydrophobicContact CG1-CZ 3.8Å; I210-F224 HydrophobicContact CD1-CE1 3.62Å; I210-F224 HydrophobicContact CD1-CZ 3.81Å; I210-F224 HydrophobicContact CG1-CE1 4.02Å; I210-F224 HydrophobicContact CG1-CZ 4.44Å; L217-F224 HydrophobicContact CD1-CB 4.22Å; L217-F224 HydrophobicContact CD1-CD1 4.12Å; L217-F224 HydrophobicContact CD1-CG 4.18Å; H220-F224 PolarHBondContact O-N 2.56Å; I221-F224 HydrophobicContact CD1-CD1 4.24Å; I221-F224 WeakPolarHBondContact O-CB 3.04Å; I221-F224 PolarHBondContact O-N 2.84Å; D222-F224 VanDerWaalsContact C-N 3.35Å; D222-F224 PolarHBondContact O-N 3.45Å; F224-E226 PolarHBondContact O-N 3.26Å; F224-N227 PolarHBondContact O-N 3.4Å; F224-N227 VanDerWaalsContact O-N 3.17Å; F224-L228 HydrophobicContact CD1-CD1 4.24Å; F224-L228 HydrophobicContact CD2-CD1 4.45Å; F224-L228 HydrophobicContact CD2-CG 4.17Å; F224-L228 HydrophobicContact CE1-CD1 3.79Å; F224-L228 HydrophobicContact CE1-CG 4.48Å; F224-L228 HydrophobicContact CE2-CD1 4.01Å; F224-L228 HydrophobicContact CE2-CD2 3.78Å; F224-L228 HydrophobicContact CE2-CG 3.83Å; F224-L228 HydrophobicContact CZ-CD1 3.67Å; F224-L228 HydrophobicContact CZ-CD2 4.03Å; F224-L228 HydrophobicContact CZ-CG 4.02Å; F224-L228 WeakPolarHBondContact O-CG 3.18Å; F224-L228 PolarHBondContact O-N 3.29Å; F224-A246 HydrophobicContact CZ-CB 4.03Å; F224-L250 HydrophobicContact CD1-CD1 4.33Å; F224-L250 HydrophobicContact CE1-CD1 3.94Å; F224-L250 HydrophobicContact CE1-CD2 4.37Å; F224-L250 HydrophobicContact CE1-CG 4.35Å
225I98Very high97Very high8 Ų850 Ų504%0.04128%0.28CS..Hα-helixtrans-60-45.4177.5-68.4169.3000111.3I221 D222 N227 L228 F229 L250 R257 L258I221-I225 HydrophobicContact CG1-CD1 4.14Å; I221-I225 WeakPolarHBondContact O-CG1 3.39Å; I221-I225 PolarHBondContact O-N 3.24Å; D222-I225 PolarHBondContact O-N 2.92Å; I225-N227 VanDerWaalsContact C-N 3.3Å; I225-N227 PolarHBondContact O-N 3.02Å; I225-L228 WeakPolarHBondContact O-CB 3.36Å; I225-L228 PolarHBondContact O-N 2.86Å; I225-F229 HydrophobicContact CG2-CD2 4.01Å; I225-F229 HydrophobicContact CG2-CE1 4.13Å; I225-F229 HydrophobicContact CG2-CE2 3.37Å; I225-F229 HydrophobicContact CG2-CZ 3.44Å; I225-F229 VanDerWaalsContact CG2-CZ 3.44Å; I225-F229 WeakPolarHBondContact O-CG 3.42Å; I225-F229 PolarHBondContact O-N 2.85Å; I225-L250 HydrophobicContact CG1-CD1 3.93Å; I225-R257 HydrophobicContact CD1-CB 3.57Å; I225-R257 HydrophobicContact CD1-CG 4.38Å; I225-L258 HydrophobicContact CD1-CD2 4.23Å
226E97.4Very high97.2Very high138 Ų13849 Ų4965%0.64528%0.275SS*.Hα-helixtrans-58.3-40.9175.9-76177.2-172.400112.4D222 S223 F224 F229 A230D222-E226 WeakPolarHBondContact O-CG 3.49Å; D222-E226 PolarHBondContact O-N 3.12Å; S223-E226 PolarHBondContact O-N 3.13Å; F224-E226 PolarHBondContact O-N 3.26Å; E226-F229 PolarHBondContact O-N 2.94Å; E226-A230 PolarHBondContact O-N 3.01Å; E226-A230 VanDerWaalsContact O-N 3.08Å
227N98.1Very high97.3Very high15 Ų1549.8 Ų49.88%0.0828%0.282CS..Hα-helixtrans-72.8-34.5177.5-73.9-69.6000112.4F191 K192 S223 F224 I225 F229 A230 L231F191-N227 HydrophobicContact CB-CB 4.07Å; F191-N227 HydrophobicContact CD1-CB 3.49Å; F191-N227 VanDerWaalsContact CD1-CB 3.49Å; F191-N227 HydrophobicContact CE1-CB 4.2Å; F191-N227 HydrophobicContact CG-CB 4.06Å; K192-N227 VanDerWaalsContact CE-OD1 3.28Å; K192-N227 WeakPolarHBondContact CE-OD1 3.16Å; S223-N227 PolarHBondContact O-N 2.94Å; S223-N227 PolarHBondContact O-ND2 3.42Å; S223-N227 PolarHBondContact OG-ND2 2.96Å; F224-N227 PolarHBondContact O-N 3.4Å; F224-N227 VanDerWaalsContact O-N 3.17Å; I225-N227 VanDerWaalsContact C-N 3.3Å; I225-N227 PolarHBondContact O-N 3.02Å; N227-F229 VanDerWaalsContact C-N 3.34Å; N227-A230 PolarHBondContact O-N 3.32Å; N227-L231 WeakPolarHBondContact O-CG 3.44Å; N227-L231 PolarHBondContact O-N 3.2Å; N227-L231 VanDerWaalsContact O-N 3.08Å
228L98.2Very high97.3Very high0 Ų053.4 Ų53.40%030%0.299CS..Hα-helixtrans-60-45.1171.3-70.9177.8000111.1F191 V203 F224 I225 A230 L231 A232 V243 A246 L247 L250F191-L228 HydrophobicContact CE1-CD2 4.13Å; V203-L228 HydrophobicContact CG1-CD2 4Å; F224-L228 HydrophobicContact CD1-CD1 4.24Å; F224-L228 HydrophobicContact CD2-CD1 4.45Å; F224-L228 HydrophobicContact CD2-CG 4.17Å; F224-L228 HydrophobicContact CE1-CD1 3.79Å; F224-L228 HydrophobicContact CE1-CG 4.48Å; F224-L228 HydrophobicContact CE2-CD1 4.01Å; F224-L228 HydrophobicContact CE2-CD2 3.78Å; F224-L228 HydrophobicContact CE2-CG 3.83Å; F224-L228 HydrophobicContact CZ-CD1 3.67Å; F224-L228 HydrophobicContact CZ-CD2 4.03Å; F224-L228 HydrophobicContact CZ-CG 4.02Å; F224-L228 WeakPolarHBondContact O-CG 3.18Å; F224-L228 PolarHBondContact O-N 3.29Å; I225-L228 WeakPolarHBondContact O-CB 3.36Å; I225-L228 PolarHBondContact O-N 2.86Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 2.72Å; L228-L231 CarbonylContact O-C 3.55Å; L228-L231 WeakPolarHBondContact O-CA 3.49Å; L228-L231 WeakPolarHBondContact O-CB 3.28Å; L228-L231 PolarHBondContact O-N 3.48Å; L228-A232 PolarHBondContact O-N 3.44Å; L228-V243 HydrophobicContact CD2-CG2 4.16Å; L228-A246 HydrophobicContact CD1-CB 3.67Å; L228-A246 HydrophobicContact CD2-CB 3.77Å; L228-A246 HydrophobicContact CG-CB 4.39Å; L228-L247 HydrophobicContact CD1-CD2 4.39Å; L228-L250 HydrophobicContact CD1-CD1 3.6Å
229F97.8Very high97.3Very high65 Ų6551.9 Ų51.929%0.28529%0.292SS..Hα-helixtrans-64-35.9176.8-63.8-22.1000112.5I225 E226 N227 L231 A232 L247 H261 I265I225-F229 HydrophobicContact CG2-CD2 4.01Å; I225-F229 HydrophobicContact CG2-CE1 4.13Å; I225-F229 HydrophobicContact CG2-CE2 3.37Å; I225-F229 HydrophobicContact CG2-CZ 3.44Å; I225-F229 VanDerWaalsContact CG2-CZ 3.44Å; I225-F229 WeakPolarHBondContact O-CG 3.42Å; I225-F229 PolarHBondContact O-N 2.85Å; E226-F229 PolarHBondContact O-N 2.94Å; N227-F229 VanDerWaalsContact C-N 3.34Å; F229-L231 PolarHBondContact O-N 3.41Å; F229-A232 WeakPolarHBondContact O-CB 3.48Å; F229-A232 PolarHBondContact O-N 3.12Å; F229-L247 HydrophobicContact CE1-CD2 4.06Å; F229-H261 HydrophobicContact CE2-CB 4.06Å; F229-H261 AromaticContact CE2-CD2 3.74Å; F229-H261 AromaticContact CE2-CG 3.71Å; F229-H261 HydrophobicContact CZ-CB 3.85Å; F229-H261 AromaticContact CZ-CG 4Å; F229-I265 HydrophobicContact CE1-CD1 4.18Å; F229-I265 HydrophobicContact CE1-CG1 4.01Å; F229-I265 HydrophobicContact CZ-CD1 4.09Å; F229-I265 HydrophobicContact CZ-CG1 4.26Å
230A96.9Very high97.4Very high73 Ų7347.7 Ų47.760%0.60327%0.268SS*.Hα-helixtrans-65.1-28173.300000112.9E226 N227 L228E226-A230 PolarHBondContact O-N 3.01Å; E226-A230 VanDerWaalsContact O-N 3.08Å; N227-A230 PolarHBondContact O-N 3.32Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 2.72Å
231L97.9Very high97.4Very high9 Ų946.4 Ų46.45%0.04726%0.261CS..Hα-helixtrans-89-9.7177.2-72.4179.5000114.3F191 V203 N227 L228 F229 G233 D234 V239 V243F191-L231 HydrophobicContact CB-CD1 3.99Å; F191-L231 HydrophobicContact CD1-CD1 3.46Å; F191-L231 VanDerWaalsContact CD1-CD1 3.46Å; F191-L231 HydrophobicContact CD1-CG 4.47Å; F191-L231 HydrophobicContact CE1-CD1 4.24Å; F191-L231 HydrophobicContact CG-CD1 3.93Å; F191-L231 VanDerWaalsContact O-CD2 3.26Å; F191-L231 WeakPolarHBondContact O-CD2 3.43Å; V203-L231 HydrophobicContact CG2-CD1 3.47Å; V203-L231 VanDerWaalsContact CG2-CD1 3.47Å; N227-L231 WeakPolarHBondContact O-CG 3.44Å; N227-L231 PolarHBondContact O-N 3.2Å; N227-L231 VanDerWaalsContact O-N 3.08Å; L228-L231 CarbonylContact O-C 3.55Å; L228-L231 WeakPolarHBondContact O-CA 3.49Å; L228-L231 WeakPolarHBondContact O-CB 3.28Å; L228-L231 PolarHBondContact O-N 3.48Å; F229-L231 PolarHBondContact O-N 3.41Å; L231-G233 PolarHBondContact O-N 2.99Å; L231-G233 VanDerWaalsContact O-N 3.08Å; L231-D234 VanDerWaalsContact O-CB 3.28Å; L231-D234 WeakPolarHBondContact O-CB 3.45Å; L231-D234 PolarHBondContact O-N 3.09Å; L231-V239 HydrophobicContact CB-CG1 4.33Å; L231-V239 HydrophobicContact CD1-CG1 4.26Å; L231-V239 HydrophobicContact CD2-CG1 4.11Å; L231-V239 HydrophobicContact CG-CG1 4.49Å; L231-V243 HydrophobicContact CB-CG2 3.73Å; L231-V243 HydrophobicContact CD1-CG2 4.41Å
232A95.3Very high97.4Very high20 Ų2046.8 Ų46.817%0.16526%0.264CS..THydrogen-bonded Turntrans-56.4-32.3-175.900000113L228 F229 Y268L228-A232 PolarHBondContact O-N 3.44Å; F229-A232 WeakPolarHBondContact O-CB 3.48Å; F229-A232 PolarHBondContact O-N 3.12Å; A232-Y268 HydrophobicContact CB-CD2 4.07Å; A232-Y268 HydrophobicContact CB-CE2 3.69Å; A232-Y268 WeakPolarHBondContact O-CE2 3.32Å; A232-Y268 PolarHBondContact O-OH 2.96Å
233G92.8Very high97.5Very high71 Ų7143 Ų4373%0.73224%0.244SC*.THydrogen-bonded Turntrans-90.213.9177.900000115.9L231L231-G233 PolarHBondContact O-N 2.99Å; L231-G233 VanDerWaalsContact O-N 3.08Å
234D97.2Very high97.5Very high19 Ų1940.9 Ų40.910%0.10223%0.228CC..  trans-63139.4-177.2-152.7-58.9000112.5R199 L231 E236 V239 R240R199-D234 IonicContact CZ-OD1 3.88Å; R199-D234 IonicContact CZ-OD2 2.86Å; R199-D234 IonicContact NE-OD2 2.86Å; R199-D234 PolarHBondContact NE-OD2 2.89Å; R199-D234 IonicContact NH2-OD1 2.72Å; R199-D234 PolarHBondContact NH2-OD1 3.19Å; R199-D234 IonicContact NH2-OD2 3.79Å; R199-D234 PolarHBondContact NH2-OD2 3.07Å; L231-D234 VanDerWaalsContact O-CB 3.28Å; L231-D234 WeakPolarHBondContact O-CB 3.45Å; L231-D234 PolarHBondContact O-N 3.09Å; D234-E236 VanDerWaalsContact C-N 3.33Å; D234-E236 PolarHBondContact OD1-N 3.44Å; D234-V239 HydrophobicContact CB-CB 4.02Å; D234-V239 HydrophobicContact CB-CG1 3.75Å; D234-R240 HydrophobicContact CB-CG 4.45Å; D234-R240 VanDerWaalsContact O-CD 3.22Å; D234-R240 WeakPolarHBondContact O-CD 3.11Å; D234-R240 VanDerWaalsContact O-CG 3.27Å; D234-R240 WeakPolarHBondContact O-CG 3.27Å; D234-R240 PolarHBondContact O-NH1 3.13Å
235E96.1Very high97.5Very high187 Ų18745.7 Ų45.787%0.87425%0.247SC*.SBendtrans-75.6-23.2179.4-64.8-176170.800112.3R240E235-R240 PolarHBondContact O-NH1 2.72Å
236E97.8Very high97.6Very high82 Ų8245.3 Ų45.338%0.38325%0.245SC..  trans-81.1126.3-179.9-171.271.4-142.900112P196 D234 E238 V239 R240P196-E236 HydrophobicContact CB-CB 3.53Å; P196-E236 HydrophobicContact CB-CG 3.74Å; P196-E236 HydrophobicContact CG-CB 4.42Å; P196-E236 HydrophobicContact CG-CG 4.44Å; D234-E236 VanDerWaalsContact C-N 3.33Å; D234-E236 PolarHBondContact OD1-N 3.44Å; E236-E238 HydrophobicContact CG-CB 4.35Å; E236-E238 PolarHBondContact O-N 3.21Å; E236-V239 HydrophobicContact CB-CB 4.32Å; E236-V239 HydrophobicContact CB-CG2 3.9Å; E236-V239 HydrophobicContact CG-CG2 4.21Å; E236-V239 PolarHBondContact O-N 2.98Å; E236-R240 PolarHBondContact O-N 2.86Å; E236-R240 VanDerWaalsContact O-N 3.17Å
237A97.9Very high97.6Very high18 Ų1838.9 Ų38.915%0.14922%0.215CC..Hα-helixtrans-58.9-45.6-179.700000112.6V239 R240 K241 D277 V280A237-V239 PolarHBondContact O-N 3.23Å; A237-R240 PolarHBondContact O-N 2.65Å; A237-R240 VanDerWaalsContact O-N 3.1Å; A237-K241 WeakPolarHBondContact O-CB 3.36Å; A237-K241 PolarHBondContact O-N 2.94Å; A237-D277 HydrophobicContact CB-CB 3.76Å; A237-V280 HydrophobicContact CB-CG2 4.02Å; A237-V280 WeakPolarHBondContact O-CG2 3.17Å
238E97.8Very high97.6Very high75 Ų7538.8 Ų38.835%0.3521%0.214SC..Hα-helixtrans-60.8-31.8179.5-74.7-63.1118.800113.4S200 E236 K241 N242S200-E238 PolarHBondContact OG-O 3.34Å; E236-E238 HydrophobicContact CG-CB 4.35Å; E236-E238 PolarHBondContact O-N 3.21Å; E238-K241 IonicContact OE1-NZ 2.83Å; E238-K241 PolarHBondContact OE1-NZ 3.11Å; E238-K241 WeakPolarHBondContact OE2-CE 3.45Å; E238-K241 IonicContact OE2-NZ 3.59Å; E238-K241 PolarHBondContact OE2-NZ 3.04Å; E238-N242 PolarHBondContact O-N 3.32Å; E238-N242 PolarHBondContact O-ND2 3.39Å; E238-N242 VanDerWaalsContact O-ND2 3.1Å
239V98.6Very high97.6Very high0 Ų039.8 Ų39.80%022%0.219CC..Hα-helixtrans-71-48.6174.4-179.70000109.7P196 R199 L231 D234 E236 A237 K241 N242 V243P196-V239 HydrophobicContact CB-CG2 4.34Å; P196-V239 VanDerWaalsContact O-CG2 3.3Å; P196-V239 WeakPolarHBondContact O-CG2 3.49Å; R199-V239 HydrophobicContact CB-CG2 4.12Å; L231-V239 HydrophobicContact CB-CG1 4.33Å; L231-V239 HydrophobicContact CD1-CG1 4.26Å; L231-V239 HydrophobicContact CD2-CG1 4.11Å; L231-V239 HydrophobicContact CG-CG1 4.49Å; D234-V239 HydrophobicContact CB-CB 4.02Å; D234-V239 HydrophobicContact CB-CG1 3.75Å; E236-V239 HydrophobicContact CB-CB 4.32Å; E236-V239 HydrophobicContact CB-CG2 3.9Å; E236-V239 HydrophobicContact CG-CG2 4.21Å; E236-V239 PolarHBondContact O-N 2.98Å; A237-V239 PolarHBondContact O-N 3.23Å; V239-K241 VanDerWaalsContact C-N 3.32Å; V239-K241 PolarHBondContact O-N 3.36Å; V239-N242 PolarHBondContact O-N 3.41Å; V239-V243 HydrophobicContact CG1-CG2 4.42Å; V239-V243 WeakPolarHBondContact O-CG2 3.15Å; V239-V243 PolarHBondContact O-N 3.37Å
240R98.3Very high97.6Very high25 Ų2536.7 Ų36.79%0.09421%0.206CC..Hα-helixtrans-59.1-43.2178.1-64.8-162.6-59.4-77.51.2112.1D234 E235 E236 A237 N242 V243 C244 R272 D275 V280D234-R240 HydrophobicContact CB-CG 4.45Å; D234-R240 VanDerWaalsContact O-CD 3.22Å; D234-R240 WeakPolarHBondContact O-CD 3.11Å; D234-R240 VanDerWaalsContact O-CG 3.27Å; D234-R240 WeakPolarHBondContact O-CG 3.27Å; D234-R240 PolarHBondContact O-NH1 3.13Å; E235-R240 PolarHBondContact O-NH1 2.72Å; E236-R240 PolarHBondContact O-N 2.86Å; E236-R240 VanDerWaalsContact O-N 3.17Å; A237-R240 PolarHBondContact O-N 2.65Å; A237-R240 VanDerWaalsContact O-N 3.1Å; R240-N242 PolarHBondContact O-N 3Å; R240-V243 WeakPolarHBondContact O-CB 3.42Å; R240-V243 PolarHBondContact O-N 3Å; R240-V243 VanDerWaalsContact O-N 3.11Å; R240-C244 PolarHBondContact O-N 3.48Å; R240-C244 PolarHBondContact O-SG 3.28Å; R240-C244 VanDerWaalsContact O-SG 3.36Å; R240-R272 VanDerWaalsContact CD-NH1 3.33Å; R240-D275 IonicContact CZ-OD1 3.9Å; R240-D275 IonicContact CZ-OD2 2.74Å; R240-D275 IonicContact NE-OD1 2.8Å; R240-D275 IonicContact NE-OD2 3.93Å; R240-D275 PolarHBondContact NE-OD2 2.91Å; R240-D275 IonicContact NH2-OD1 2.99Å; R240-D275 PolarHBondContact NH2-OD1 3.5Å; R240-D275 IonicContact NH2-OD2 2.73Å; R240-D275 PolarHBondContact NH2-OD2 3.22Å; R240-V280 HydrophobicContact CB-CG1 3.83Å; R240-V280 HydrophobicContact CB-CG2 4.09Å
241K98.3Very high97.6Very high39 Ų3933.2 Ų33.217%0.1718%0.177CC..Hα-helixtrans-53.7-52.4176.2-171.3-176.669.6-168.40111.2A237 E238 V239 V243 C244 R245 N279 V280 E283A237-K241 WeakPolarHBondContact O-CB 3.36Å; A237-K241 PolarHBondContact O-N 2.94Å; E238-K241 IonicContact OE1-NZ 2.83Å; E238-K241 PolarHBondContact OE1-NZ 3.11Å; E238-K241 WeakPolarHBondContact OE2-CE 3.45Å; E238-K241 IonicContact OE2-NZ 3.59Å; E238-K241 PolarHBondContact OE2-NZ 3.04Å; V239-K241 VanDerWaalsContact C-N 3.32Å; V239-K241 PolarHBondContact O-N 3.36Å; K241-V243 VanDerWaalsContact C-N 3.31Å; K241-V243 PolarHBondContact O-N 2.96Å; K241-C244 PolarHBondContact O-N 2.98Å; K241-R245 WeakPolarHBondContact O-CB 3.42Å; K241-R245 PolarHBondContact O-N 3Å; K241-N279 HydrophobicContact CD-CB 3.68Å; K241-N279 HydrophobicContact CG-CB 4.39Å; K241-V280 HydrophobicContact CB-CG2 3.96Å; K241-E283 HydrophobicContact CD-CG 4.48Å; K241-E283 HydrophobicContact CG-CB 4.43Å; K241-E283 HydrophobicContact CG-CG 3.7Å
242N98.4Very high97.4Very high13 Ų1337.1 Ų37.17%0.0720%0.195CC..Hα-helixtrans-66.3-30.7178.8-77.9-43.3000113.2S200 V203 N207 E238 V239 R240 A246S200-N242 PolarHBondContact OG-ND2 3.25Å; V203-N242 HydrophobicContact CB-CB 4.04Å; V203-N242 HydrophobicContact CG1-CB 3.7Å; N207-N242 PolarHBondContact ND2-O 3.48Å; E238-N242 PolarHBondContact O-N 3.32Å; E238-N242 PolarHBondContact O-ND2 3.39Å; E238-N242 VanDerWaalsContact O-ND2 3.1Å; V239-N242 PolarHBondContact O-N 3.41Å; R240-N242 PolarHBondContact O-N 3Å; N242-A246 VanDerWaalsContact O-CB 3.29Å; N242-A246 WeakPolarHBondContact O-CB 3.25Å; N242-A246 PolarHBondContact O-N 3.42Å
243V98.6Very high97.4Very high1 Ų136.7 Ų36.71%0.00619%0.19CC..Hα-helixtrans-68.5-45.7172.9171.80000111L228 L231 V239 R240 K241 A246 L247 Y268L228-V243 HydrophobicContact CD2-CG2 4.16Å; L231-V243 HydrophobicContact CB-CG2 3.73Å; L231-V243 HydrophobicContact CD1-CG2 4.41Å; V239-V243 HydrophobicContact CG1-CG2 4.42Å; V239-V243 WeakPolarHBondContact O-CG2 3.15Å; V239-V243 PolarHBondContact O-N 3.37Å; R240-V243 WeakPolarHBondContact O-CB 3.42Å; R240-V243 PolarHBondContact O-N 3Å; R240-V243 VanDerWaalsContact O-N 3.11Å; K241-V243 VanDerWaalsContact C-N 3.31Å; K241-V243 PolarHBondContact O-N 2.96Å; V243-A246 WeakPolarHBondContact O-CB 3.39Å; V243-A246 PolarHBondContact O-N 3.28Å; V243-L247 HydrophobicContact CG1-CD1 4.19Å; V243-L247 WeakPolarHBondContact O-CG 3.42Å; V243-L247 PolarHBondContact O-N 3.42Å; V243-Y268 HydrophobicContact CG1-CE1 4.23Å
244C98.6Very high97.5Very high0 Ų035.1 Ų35.10%016%0.163CC..Hα-helixtrans-57.5-53.6175.3-66.80000110.4R240 K241 A246 L247 V248 M269 E283 A284R240-C244 PolarHBondContact O-N 3.48Å; R240-C244 PolarHBondContact O-SG 3.28Å; R240-C244 VanDerWaalsContact O-SG 3.36Å; K241-C244 PolarHBondContact O-N 2.98Å; C244-A246 VanDerWaalsContact C-N 3.28Å; C244-A246 PolarHBondContact O-N 3.5Å; C244-L247 WeakPolarHBondContact O-CB 3.14Å; C244-L247 PolarHBondContact O-N 2.87Å; C244-V248 WeakPolarHBondContact O-CG2 3.35Å; C244-V248 PolarHBondContact O-N 3.39Å; C244-M269 HydrophobicContact CB-CE 4.46Å; C244-M269 HydrophobicContact CB-SD 4.44Å; C244-E283 HydrophobicContact CB-CB 3.87Å; C244-A284 HydrophobicContact CB-CB 4.4Å
245R98.4Very high97.4Very high102 Ų10236.4 Ų36.439%0.38517%0.168SC..Hα-helixtrans-54.5-42.9177.5-168.3175.3168.81730.1112.7K241 L247 V248 M249 E283K241-R245 WeakPolarHBondContact O-CB 3.42Å; K241-R245 PolarHBondContact O-N 3Å; R245-L247 VanDerWaalsContact C-N 3.34Å; R245-L247 PolarHBondContact O-N 3.44Å; R245-V248 PolarHBondContact O-N 3.33Å; R245-M249 HydrophobicContact CG-CE 3.82Å; R245-M249 WeakPolarHBondContact O-CE 3.45Å; R245-M249 WeakPolarHBondContact O-CG 3.46Å; R245-M249 PolarHBondContact O-N 3.26Å; R245-E283 VanDerWaalsContact CB-OE2 3.26Å; R245-E283 WeakPolarHBondContact CB-OE2 3.46Å; R245-E283 VanDerWaalsContact CG-OE2 3.29Å; R245-E283 WeakPolarHBondContact CG-OE2 3.41Å
246A98.6Very high97.3Very high0 Ų031 Ų310%015%0.145CC..Hα-helixtrans-60-43.4176.700000112.2N207 I210 F224 L228 N242 V243 C244 M249 L250N207-A246 WeakPolarHBondContact OD1-CB 3.33Å; I210-A246 HydrophobicContact CD1-CB 4.14Å; F224-A246 HydrophobicContact CZ-CB 4.03Å; L228-A246 HydrophobicContact CD1-CB 3.67Å; L228-A246 HydrophobicContact CD2-CB 3.77Å; L228-A246 HydrophobicContact CG-CB 4.39Å; N242-A246 VanDerWaalsContact O-CB 3.29Å; N242-A246 WeakPolarHBondContact O-CB 3.25Å; N242-A246 PolarHBondContact O-N 3.42Å; V243-A246 WeakPolarHBondContact O-CB 3.39Å; V243-A246 PolarHBondContact O-N 3.28Å; C244-A246 VanDerWaalsContact C-N 3.28Å; C244-A246 PolarHBondContact O-N 3.5Å; A246-M249 PolarHBondContact O-N 3.5Å; A246-L250 WeakPolarHBondContact O-CB 3.47Å; A246-L250 WeakPolarHBondContact O-CG 3.17Å; A246-L250 PolarHBondContact O-N 3.43Å
247L98.4Very high97.2Very high2 Ų231.8 Ų31.81%0.0115%0.145CC..Hα-helixtrans-69.1-35.6179.7-69.9171.6000112.1L228 F229 V243 C244 R245 L250 L251 L258 Y268 M269L228-L247 HydrophobicContact CD1-CD2 4.39Å; F229-L247 HydrophobicContact CE1-CD2 4.06Å; V243-L247 HydrophobicContact CG1-CD1 4.19Å; V243-L247 WeakPolarHBondContact O-CG 3.42Å; V243-L247 PolarHBondContact O-N 3.42Å; C244-L247 WeakPolarHBondContact O-CB 3.14Å; C244-L247 PolarHBondContact O-N 2.87Å; R245-L247 VanDerWaalsContact C-N 3.34Å; R245-L247 PolarHBondContact O-N 3.44Å; L247-L250 PolarHBondContact O-N 2.9Å; L247-L251 PolarHBondContact O-N 2.88Å; L247-L258 HydrophobicContact CD2-CD2 4.34Å; L247-Y268 HydrophobicContact CD1-CD1 3.95Å; L247-Y268 HydrophobicContact CD1-CE1 3.91Å; L247-M269 HydrophobicContact CB-CE 3.36Å; L247-M269 HydrophobicContact CD1-CE 3.72Å; L247-M269 HydrophobicContact CG-CE 4.18Å
248V98.1Very high97.1Very high13 Ų1330.9 Ų30.98%0.07914%0.138CC..Hα-helixtrans-60.2-54.7171.2177.30000110.1C244 R245 L250 L251 M269 E283 E286 F287 T290C244-V248 WeakPolarHBondContact O-CG2 3.35Å; C244-V248 PolarHBondContact O-N 3.39Å; R245-V248 PolarHBondContact O-N 3.33Å; V248-L250 VanDerWaalsContact C-N 3.28Å; V248-L250 PolarHBondContact O-N 3.33Å; V248-L251 WeakPolarHBondContact O-CB 3.44Å; V248-L251 PolarHBondContact O-N 3.22Å; V248-M269 HydrophobicContact CG2-CE 4.47Å; V248-E283 WeakPolarHBondContact CG2-O 3.21Å; V248-E286 HydrophobicContact CG1-CB 4.29Å; V248-E286 HydrophobicContact CG2-CB 4.16Å; V248-F287 HydrophobicContact CG2-CB 3.9Å; V248-F287 HydrophobicContact CG2-CD2 4.46Å; V248-T290 HydrophobicContact CG1-CG2 4.46Å; V248-T290 WeakPolarHBondContact CG1-OG1 3.46Å
249M98.1Very high97Very high21 Ų2131.1 Ų31.110%0.10314%0.141CC..Hα-helixtrans-60.5-35.7177.8-67.3-175.4-77.100112.8N207 I210 I211 R245 A246 L251 E252 V253N207-M249 HydrophobicContact CB-CE 3.47Å; N207-M249 VanDerWaalsContact CB-CE 3.47Å; I210-M249 HydrophobicContact CB-CB 4Å; I210-M249 HydrophobicContact CB-SD 4.43Å; I210-M249 HydrophobicContact CD1-CB 4.07Å; I210-M249 HydrophobicContact CD1-CE 3.78Å; I210-M249 HydrophobicContact CD1-SD 4.47Å; I210-M249 HydrophobicContact CG2-CB 3.65Å; I211-M249 HydrophobicContact CD1-CB 3.78Å; I211-M249 HydrophobicContact CD1-CG 3.88Å; I211-M249 HydrophobicContact CG1-CB 4.3Å; I211-M249 HydrophobicContact CG1-CG 4.06Å; I211-M249 HydrophobicContact CG1-SD 4.07Å; R245-M249 HydrophobicContact CG-CE 3.82Å; R245-M249 WeakPolarHBondContact O-CE 3.45Å; R245-M249 WeakPolarHBondContact O-CG 3.46Å; R245-M249 PolarHBondContact O-N 3.26Å; A246-M249 PolarHBondContact O-N 3.5Å; M249-L251 VanDerWaalsContact C-N 3.27Å; M249-L251 PolarHBondContact O-N 3.07Å; M249-E252 PolarHBondContact O-N 3Å; M249-V253 VanDerWaalsContact O-CG2 3.25Å; M249-V253 WeakPolarHBondContact O-CG2 3.35Å; M249-V253 PolarHBondContact O-N 3.34Å
250L97.9Very high96.9Very high0 Ų035.9 Ų35.90%017%0.172CC..Hα-helixtrans-69.2-25.8176.6-77.3168.8000112.9I210 I221 F224 I225 L228 A246 L247 V248 E252 V253 R254 M255 L258I210-L250 HydrophobicContact CD1-CG 4.34Å; I210-L250 HydrophobicContact CG2-CD2 3.98Å; I210-L250 HydrophobicContact CG2-CG 4.16Å; I221-L250 HydrophobicContact CD1-CD2 3.7Å; F224-L250 HydrophobicContact CD1-CD1 4.33Å; F224-L250 HydrophobicContact CE1-CD1 3.94Å; F224-L250 HydrophobicContact CE1-CD2 4.37Å; F224-L250 HydrophobicContact CE1-CG 4.35Å; I225-L250 HydrophobicContact CG1-CD1 3.93Å; L228-L250 HydrophobicContact CD1-CD1 3.6Å; A246-L250 WeakPolarHBondContact O-CB 3.47Å; A246-L250 WeakPolarHBondContact O-CG 3.17Å; A246-L250 PolarHBondContact O-N 3.43Å; L247-L250 PolarHBondContact O-N 2.9Å; V248-L250 VanDerWaalsContact C-N 3.28Å; V248-L250 PolarHBondContact O-N 3.33Å; L250-E252 VanDerWaalsContact C-N 3.33Å; L250-V253 PolarHBondContact O-N 2.92Å; L250-R254 HydrophobicContact CD2-CB 4.36Å; L250-R254 CarbonylContact O-C 3.59Å; L250-R254 WeakPolarHBondContact O-CA 3.39Å; L250-R254 PolarHBondContact O-N 2.76Å; L250-M255 PolarHBondContact O-N 3.08Å; L250-L258 HydrophobicContact CB-CD1 3.79Å; L250-L258 HydrophobicContact CB-CD2 4.24Å; L250-L258 HydrophobicContact CB-CG 4.23Å; L250-L258 HydrophobicContact CD1-CD2 4.36Å
251L95.9Very high96.8Very high0 Ų038.5 Ų38.50%019%0.185CC..Hα-helixtrans-63.6-41.6176.3-17262000110.9L247 V248 M249 M255 L258 M262 F287 T290 L291 Q294L247-L251 PolarHBondContact O-N 2.88Å; V248-L251 WeakPolarHBondContact O-CB 3.44Å; V248-L251 PolarHBondContact O-N 3.22Å; M249-L251 VanDerWaalsContact C-N 3.27Å; M249-L251 PolarHBondContact O-N 3.07Å; L251-M255 HydrophobicContact CD1-CG 4.28Å; L251-M255 WeakPolarHBondContact O-CB 3.25Å; L251-L258 HydrophobicContact CB-CD1 4.36Å; L251-L258 HydrophobicContact CD1-CD1 4.47Å; L251-M262 HydrophobicContact CD1-CE 3.83Å; L251-F287 HydrophobicContact CD1-CE2 4.4Å; L251-F287 HydrophobicContact CD2-CD2 4.03Å; L251-F287 HydrophobicContact CD2-CE2 3.78Å; L251-F287 HydrophobicContact CD2-CZ 4.28Å; L251-F287 HydrophobicContact CG-CE2 4.47Å; L251-T290 HydrophobicContact CB-CG2 4.32Å; L251-T290 HydrophobicContact CD2-CG2 3.95Å; L251-T290 HydrophobicContact CG-CG2 4.33Å; L251-L291 HydrophobicContact CD1-CD1 4.13Å; L251-L291 HydrophobicContact CD2-CB 3.64Å; L251-L291 HydrophobicContact CD2-CD1 4.06Å; L251-L291 HydrophobicContact CD2-CG 4.4Å; L251-Q294 HydrophobicContact CG-CG 4.39Å
252E94.3Very high96.7Very high92 Ų9237 Ų3743%0.4318%0.179SC..Hα-helixtrans-71.6-36.6175.5-63.1172.7-158.800112.5I211 R213 M249 L250 T290I211-E252 WeakPolarHBondContact CD1-OE2 3.15Å; R213-E252 PolarHBondContact NH2-O 3.39Å; M249-E252 PolarHBondContact O-N 3Å; L250-E252 VanDerWaalsContact C-N 3.33Å; E252-T290 HydrophobicContact CG-CG2 3.49Å; E252-T290 VanDerWaalsContact CG-CG2 3.49Å
253V95.6Very high96.5Very high10 Ų1041.9 Ų41.96%0.06120%0.201CC..Hα-helixtrans-94.6-46.3-166.5-177.10000113.4I210 I211 R213 M218 M249 L250I210-V253 HydrophobicContact CG2-CB 4.11Å; I210-V253 HydrophobicContact CG2-CG2 3.98Å; I210-V253 WeakPolarHBondContact O-CG1 3.42Å; I211-V253 HydrophobicContact CD1-CG2 3.84Å; R213-V253 HydrophobicContact CG-CG1 3.42Å; R213-V253 VanDerWaalsContact CG-CG1 3.42Å; R213-V253 PolarHBondContact NH1-O 2.84Å; M218-V253 HydrophobicContact CE-CG1 3.84Å; M249-V253 VanDerWaalsContact O-CG2 3.25Å; M249-V253 WeakPolarHBondContact O-CG2 3.35Å; M249-V253 PolarHBondContact O-N 3.34Å; L250-V253 PolarHBondContact O-N 2.92Å
254R94.9Very high96.4Very high39 Ų3947.1 Ų47.115%0.14723%0.229CC..Hα-helixtrans-135.648.1-173-68.2-54.9-57.8-87.10.3112.1M218 I221 L250 D256 R257 L258M218-R254 HydrophobicContact CE-CG 4.2Å; M218-R254 HydrophobicContact SD-CG 3.97Å; I221-R254 HydrophobicContact CD1-CG 4.34Å; I221-R254 HydrophobicContact CG1-CG 4.21Å; L250-R254 HydrophobicContact CD2-CB 4.36Å; L250-R254 CarbonylContact O-C 3.59Å; L250-R254 WeakPolarHBondContact O-CA 3.39Å; L250-R254 PolarHBondContact O-N 2.76Å; R254-D256 WeakPolarHBondContact CA-OD1 3.37Å; R254-D256 IonicContact CZ-OD1 3.86Å; R254-D256 IonicContact CZ-OD2 2.66Å; R254-D256 IonicContact NE-OD1 2.72Å; R254-D256 PolarHBondContact NE-OD1 2.85Å; R254-D256 IonicContact NE-OD2 3.03Å; R254-D256 IonicContact NH2-OD1 3.59Å; R254-D256 IonicContact NH2-OD2 2.72Å; R254-D256 PolarHBondContact NH2-OD2 2.92Å; R254-D256 PolarHBondContact O-N 3.48Å; R254-D256 VanDerWaalsContact O-N 3.09Å; R254-R257 HydrophobicContact CB-CB 4.39Å; R254-R257 HydrophobicContact CB-CG 4.45Å; R254-R257 VanDerWaalsContact NH2-CG 3.25Å; R254-R257 VanDerWaalsContact NH2-CZ 3.27Å; R254-R257 PolarHBondContact O-N 3.27Å; R254-L258 PolarHBondContact O-N 3.2Å
255M93.9Very high96.4Very high46 Ų4647.3 Ų47.323%0.22723%0.23CC..Hα-helixtrans-48.7-37.2172.3-169.7168.760.300112.5L250 L251 R257 L258 L259 Q294 I296L250-M255 PolarHBondContact O-N 3.08Å; L251-M255 HydrophobicContact CD1-CG 4.28Å; L251-M255 WeakPolarHBondContact O-CB 3.25Å; M255-R257 PolarHBondContact O-N 3.12Å; M255-R257 VanDerWaalsContact O-N 3.16Å; M255-L258 PolarHBondContact O-N 3.15Å; M255-L259 HydrophobicContact CG-CG 4.26Å; M255-L259 WeakPolarHBondContact O-CG 3.29Å; M255-L259 PolarHBondContact O-N 2.82Å; M255-Q294 HydrophobicContact SD-CB 4.21Å; M255-Q294 HydrophobicContact SD-CG 4.16Å; M255-I296 HydrophobicContact CE-CD1 4.42Å; M255-I296 HydrophobicContact CE-CG2 4.41Å; M255-I296 HydrophobicContact CG-CD1 3.88Å; M255-I296 HydrophobicContact SD-CD1 3.29Å; M255-I296 WeakPolarHBondContact SD-CD1 3.44Å; M255-I296 HydrophobicContact SD-CG1 3.69Å
256D95.2Very high96.4Very high73 Ų7342.5 Ų42.539%0.3921%0.212SC..Hα-helixtrans-55.4-32.2177.370.7-64.4000113.6R254R254-D256 WeakPolarHBondContact CA-OD1 3.37Å; R254-D256 IonicContact CZ-OD1 3.86Å; R254-D256 IonicContact CZ-OD2 2.66Å; R254-D256 IonicContact NE-OD1 2.72Å; R254-D256 PolarHBondContact NE-OD1 2.85Å; R254-D256 IonicContact NE-OD2 3.03Å; R254-D256 IonicContact NH2-OD1 3.59Å; R254-D256 IonicContact NH2-OD2 2.72Å; R254-D256 PolarHBondContact NH2-OD2 2.92Å; R254-D256 PolarHBondContact O-N 3.48Å; R254-D256 VanDerWaalsContact O-N 3.09Å
257R96Very high96.3Very high98 Ų9845.6 Ų45.637%0.3723%0.226SC..Hα-helixtrans-87.3-26.2177.9-67.4-59.9-166.2-108.712.2113.4D222 I225 R254 M255 P260D222-R257 WeakPolarHBondContact OD1-CD 3.39Å; D222-R257 IonicContact OD1-NE 2.65Å; D222-R257 PolarHBondContact OD1-NE 3.19Å; I225-R257 HydrophobicContact CD1-CB 3.57Å; I225-R257 HydrophobicContact CD1-CG 4.38Å; R254-R257 HydrophobicContact CB-CB 4.39Å; R254-R257 HydrophobicContact CB-CG 4.45Å; R254-R257 VanDerWaalsContact NH2-CG 3.25Å; R254-R257 VanDerWaalsContact NH2-CZ 3.27Å; R254-R257 PolarHBondContact O-N 3.27Å; M255-R257 PolarHBondContact O-N 3.12Å; M255-R257 VanDerWaalsContact O-N 3.16Å; R257-P260 WeakPolarHBondContact O-CD 3.16Å
258L96.3Very high96.3Very high0 Ų046.7 Ų46.70%023%0.23CC..Hα-helixtrans-79.6-32175.2-60.8-168.2000112.3I225 L247 L250 L251 R254 M255 P260 H261 M262 I265I225-L258 HydrophobicContact CD1-CD2 4.23Å; L247-L258 HydrophobicContact CD2-CD2 4.34Å; L250-L258 HydrophobicContact CB-CD1 3.79Å; L250-L258 HydrophobicContact CB-CD2 4.24Å; L250-L258 HydrophobicContact CB-CG 4.23Å; L250-L258 HydrophobicContact CD1-CD2 4.36Å; L251-L258 HydrophobicContact CB-CD1 4.36Å; L251-L258 HydrophobicContact CD1-CD1 4.47Å; R254-L258 PolarHBondContact O-N 3.2Å; M255-L258 PolarHBondContact O-N 3.15Å; L258-P260 VanDerWaalsContact C-CD 3.46Å; L258-H261 CarbonylContact O-C 3.35Å; L258-H261 WeakPolarHBondContact O-CA 3.47Å; L258-H261 PolarHBondContact O-N 3.3Å; L258-M262 HydrophobicContact CB-CE 4.06Å; L258-M262 PolarHBondContact O-N 3.45Å; L258-I265 HydrophobicContact CB-CD1 3.83Å; L258-I265 HydrophobicContact CD1-CD1 4.37Å; L258-I265 HydrophobicContact CD2-CD1 3.89Å; L258-I265 HydrophobicContact CG-CD1 4.24Å
259L95.5Very high96.3Very high79 Ų7946.1 Ų46.141%0.41423%0.227SC..G310 helixtrans-47.4-46.6-176.5-86.5176.9000114.9M255 H261 M262 I296M255-L259 HydrophobicContact CG-CG 4.26Å; M255-L259 WeakPolarHBondContact O-CG 3.29Å; M255-L259 PolarHBondContact O-N 2.82Å; L259-H261 PolarHBondContact O-N 2.99Å; L259-H261 VanDerWaalsContact O-N 3.14Å; L259-M262 WeakPolarHBondContact O-CB 3.32Å; L259-M262 PolarHBondContact O-N 3.17Å; L259-I296 HydrophobicContact CD2-CD1 3.55Å; L259-I296 HydrophobicContact CG-CD1 4.48Å
260P95.9Very high96.4Very high101 Ų10145.5 Ų45.566%0.65622%0.224SC*.G310 helixtrans-61.1-22.8177.8-23.634.9000114.4R257 L258R257-P260 WeakPolarHBondContact O-CD 3.16Å; L258-P260 VanDerWaalsContact C-CD 3.46Å
261H96.1Very high96.4Very high79 Ų7950.9 Ų50.937%0.36625%0.249SC..G310 helixtrans-111.42.9-177.1-56.1-68.7000112.8F229 L258 L259 H263 N264 I265F229-H261 HydrophobicContact CE2-CB 4.06Å; F229-H261 AromaticContact CE2-CD2 3.74Å; F229-H261 AromaticContact CE2-CG 3.71Å; F229-H261 HydrophobicContact CZ-CB 3.85Å; F229-H261 AromaticContact CZ-CG 4Å; L258-H261 CarbonylContact O-C 3.35Å; L258-H261 WeakPolarHBondContact O-CA 3.47Å; L258-H261 PolarHBondContact O-N 3.3Å; L259-H261 PolarHBondContact O-N 2.99Å; L259-H261 VanDerWaalsContact O-N 3.14Å; H261-H263 VanDerWaalsContact C-N 3.29Å; H261-H263 PolarHBondContact O-N 2.81Å; H261-H263 VanDerWaalsContact O-N 3.16Å; H261-N264 WeakPolarHBondContact O-CB 3.42Å; H261-N264 PolarHBondContact O-N 3.29Å; H261-I265 HydrophobicContact CB-CD1 4.1Å; H261-I265 HydrophobicContact CB-CG1 4.37Å; H261-I265 PolarHBondContact O-N 2.95Å
262M95.9Very high96.5Very high8 Ų852.5 Ų52.54%0.03926%0.255CS..Hα-helixtrans-55.5-41.7-166.8-173.558.471.300113.1L251 L258 L259 N264 I265 V266 F287 I296 V300L251-M262 HydrophobicContact CD1-CE 3.83Å; L258-M262 HydrophobicContact CB-CE 4.06Å; L258-M262 PolarHBondContact O-N 3.45Å; L259-M262 WeakPolarHBondContact O-CB 3.32Å; L259-M262 PolarHBondContact O-N 3.17Å; M262-N264 VanDerWaalsContact C-N 3.32Å; M262-N264 PolarHBondContact O-N 3.07Å; M262-I265 PolarHBondContact O-N 2.89Å; M262-V266 HydrophobicContact CG-CG2 4.35Å; M262-V266 VanDerWaalsContact O-CG2 3.31Å; M262-V266 WeakPolarHBondContact O-CG2 3.27Å; M262-V266 PolarHBondContact O-N 3.06Å; M262-V266 HydrophobicContact SD-CG2 4.26Å; M262-F287 HydrophobicContact SD-CZ 4.08Å; M262-I296 HydrophobicContact CE-CD1 4.23Å; M262-V300 HydrophobicContact CG-CB 4.27Å; M262-V300 HydrophobicContact CG-CG1 3.4Å; M262-V300 HydrophobicContact CG-CG2 3.78Å; M262-V300 HydrophobicContact SD-CG1 4.15Å
263H95Very high96.7Very high115 Ų11548.5 Ų48.553%0.53224%0.237SC..Hα-helixtrans-59.6-40.8177.4-177.462.3000113H261 E267 H304H261-H263 VanDerWaalsContact C-N 3.29Å; H261-H263 PolarHBondContact O-N 2.81Å; H261-H263 VanDerWaalsContact O-N 3.16Å; H263-E267 PolarHBondContact O-N 3.22Å; H263-H304 AromaticContact CE1-CE1 3.24Å; H263-H304 PolarHBondContact CE1-CE1 2.62Å; H263-H304 AromaticContact CE1-NE2 3.4Å; H263-H304 PolarHBondContact CE1-NE2 2.99Å; H263-H304 AromaticContact ND1-CE1 3.18Å; H263-H304 PolarHBondContact ND1-CE1 3.29Å; H263-H304 AromaticContact ND1-NE2 2.93Å; H263-H304 PolarHBondContact ND1-NE2 3.42Å
264N96.5Very high96.8Very high112 Ų11253.7 Ų53.760%0.59926%0.261SS*.Hα-helixtrans-72.1-36.1177.5-65.4-17.1000111.3H261 M262 E267 Y268H261-N264 WeakPolarHBondContact O-CB 3.42Å; H261-N264 PolarHBondContact O-N 3.29Å; M262-N264 VanDerWaalsContact C-N 3.32Å; M262-N264 PolarHBondContact O-N 3.07Å; N264-E267 PolarHBondContact O-N 2.89Å; N264-Y268 VanDerWaalsContact O-CB 3.31Å; N264-Y268 WeakPolarHBondContact O-CB 3.4Å; N264-Y268 PolarHBondContact O-N 3.46Å
265I97.9Very high96.9Very high4 Ų453 Ų532%0.02126%0.26CS..Hα-helixtrans-63.5-45175.2-64.3168.4000109.8F229 L258 H261 M262 Y268 M269 F287F229-I265 HydrophobicContact CE1-CD1 4.18Å; F229-I265 HydrophobicContact CE1-CG1 4.01Å; F229-I265 HydrophobicContact CZ-CD1 4.09Å; F229-I265 HydrophobicContact CZ-CG1 4.26Å; L258-I265 HydrophobicContact CB-CD1 3.83Å; L258-I265 HydrophobicContact CD1-CD1 4.37Å; L258-I265 HydrophobicContact CD2-CD1 3.89Å; L258-I265 HydrophobicContact CG-CD1 4.24Å; H261-I265 HydrophobicContact CB-CD1 4.1Å; H261-I265 HydrophobicContact CB-CG1 4.37Å; H261-I265 PolarHBondContact O-N 2.95Å; M262-I265 PolarHBondContact O-N 2.89Å; I265-Y268 WeakPolarHBondContact O-CB 3.41Å; I265-Y268 PolarHBondContact O-N 3.4Å; I265-M269 HydrophobicContact CG2-CG 4.25Å; I265-M269 WeakPolarHBondContact O-CB 3.35Å; I265-M269 WeakPolarHBondContact O-CG 3.21Å; I265-M269 PolarHBondContact O-N 3.04Å; I265-F287 HydrophobicContact CG2-CE2 3.8Å; I265-F287 HydrophobicContact CG2-CZ 3.71Å
266V98Very high97Very high0 Ų060.1 Ų60.10%029%0.293CS..Hα-helixtrans-61.7-47176.5171.10000111.4M262 Y268 M269 L270 F287 W288 V300 L301 H304M262-V266 HydrophobicContact CG-CG2 4.35Å; M262-V266 VanDerWaalsContact O-CG2 3.31Å; M262-V266 WeakPolarHBondContact O-CG2 3.27Å; M262-V266 PolarHBondContact O-N 3.06Å; M262-V266 HydrophobicContact SD-CG2 4.26Å; V266-Y268 VanDerWaalsContact C-N 3.27Å; V266-Y268 PolarHBondContact O-N 3.49Å; V266-M269 PolarHBondContact O-N 3.14Å; V266-L270 HydrophobicContact CG1-CD1 4.07Å; V266-L270 HydrophobicContact CG1-CG 4.42Å; V266-L270 WeakPolarHBondContact O-CB 3.41Å; V266-L270 VanDerWaalsContact O-CG 3.28Å; V266-L270 WeakPolarHBondContact O-CG 3.36Å; V266-L270 PolarHBondContact O-N 3.13Å; V266-F287 HydrophobicContact CG2-CE1 4.21Å; V266-W288 HydrophobicContact CG1-CH2 4.06Å; V266-W288 HydrophobicContact CG1-CZ3 4.08Å; V266-W288 HydrophobicContact CG2-CZ3 4.46Å; V266-V300 HydrophobicContact CG2-CG1 3.72Å; V266-L301 HydrophobicContact CG1-CD2 3.93Å; V266-L301 HydrophobicContact CG2-CD2 4.05Å; V266-H304 HydrophobicContact CG1-CB 3.99Å
267E97.7Very high97Very high65 Ų6558.8 Ų58.830%0.30429%0.285SS..Hα-helixtrans-64.2-33.8176.4-69.7-72.3145.600112.2H263 N264 Q271 H304 K307H263-E267 PolarHBondContact O-N 3.22Å; N264-E267 PolarHBondContact O-N 2.89Å; E267-Q271 PolarHBondContact O-N 3.09Å; E267-H304 IonicContact OE1-CE1 3.47Å; E267-H304 PolarHBondContact OE1-CE1 3.35Å; E267-H304 IonicContact OE1-ND1 2.86Å; E267-H304 PolarHBondContact OE1-ND1 2.95Å; E267-K307 IonicContact OE1-NZ 2.66Å; E267-K307 PolarHBondContact OE1-NZ 2.9Å; E267-K307 IonicContact OE2-NZ 3.48Å; E267-K307 PolarHBondContact OE2-NZ 3.14Å
268Y98.3Very high96.9Very high26 Ų2658.9 Ų58.910%0.10229%0.29CS..Hα-helixtrans-65.2-51.2173.2173.9-109.1000111.9A232 V243 L247 N264 I265 V266 L270 Q271 R272A232-Y268 HydrophobicContact CB-CD2 4.07Å; A232-Y268 HydrophobicContact CB-CE2 3.69Å; A232-Y268 WeakPolarHBondContact O-CE2 3.32Å; A232-Y268 PolarHBondContact O-OH 2.96Å; V243-Y268 HydrophobicContact CG1-CE1 4.23Å; L247-Y268 HydrophobicContact CD1-CD1 3.95Å; L247-Y268 HydrophobicContact CD1-CE1 3.91Å; N264-Y268 VanDerWaalsContact O-CB 3.31Å; N264-Y268 WeakPolarHBondContact O-CB 3.4Å; N264-Y268 PolarHBondContact O-N 3.46Å; I265-Y268 WeakPolarHBondContact O-CB 3.41Å; I265-Y268 PolarHBondContact O-N 3.4Å; V266-Y268 VanDerWaalsContact C-N 3.27Å; V266-Y268 PolarHBondContact O-N 3.49Å; Y268-L270 VanDerWaalsContact C-N 3.31Å; Y268-L270 PolarHBondContact O-N 3.18Å; Y268-Q271 WeakPolarHBondContact O-CB 3.39Å; Y268-Q271 PolarHBondContact O-N 3.2Å; Y268-Q271 VanDerWaalsContact O-N 3.08Å; Y268-R272 HydrophobicContact CD1-CG 4.24Å; Y268-R272 HydrophobicContact CD2-CG 4.03Å; Y268-R272 HydrophobicContact CE1-CG 3.77Å; Y268-R272 HydrophobicContact CE2-CG 3.51Å; Y268-R272 HydrophobicContact CG-CG 4.38Å; Y268-R272 WeakPolarHBondContact O-CG 3.49Å; Y268-R272 PolarHBondContact O-N 3.44Å
269M98.5Very high96.8Very high0 Ų062.9 Ų62.90%031%0.312CS..Hα-helixtrans-61.8-39.7178.7-68.3-57-160.200111C244 L247 V248 I265 V266 Q271 R272 T273 A284 F287 W288C244-M269 HydrophobicContact CB-CE 4.46Å; C244-M269 HydrophobicContact CB-SD 4.44Å; L247-M269 HydrophobicContact CB-CE 3.36Å; L247-M269 HydrophobicContact CD1-CE 3.72Å; L247-M269 HydrophobicContact CG-CE 4.18Å; V248-M269 HydrophobicContact CG2-CE 4.47Å; I265-M269 HydrophobicContact CG2-CG 4.25Å; I265-M269 WeakPolarHBondContact O-CB 3.35Å; I265-M269 WeakPolarHBondContact O-CG 3.21Å; I265-M269 PolarHBondContact O-N 3.04Å; V266-M269 PolarHBondContact O-N 3.14Å; M269-Q271 PolarHBondContact O-N 2.91Å; M269-R272 CarbonylContact O-C 3.51Å; M269-R272 PolarHBondContact O-N 3.4Å; M269-T273 PolarHBondContact O-N 3.02Å; M269-T273 PolarHBondContact O-OG1 2.83Å; M269-A284 HydrophobicContact SD-CB 4.11Å; M269-F287 HydrophobicContact CB-CD1 3.9Å; M269-F287 HydrophobicContact CB-CE1 4.41Å; M269-F287 HydrophobicContact CB-CG 4.28Å; M269-F287 HydrophobicContact CE-CB 3.98Å; M269-F287 HydrophobicContact CE-CD2 3.66Å; M269-F287 HydrophobicContact CE-CE2 4.36Å; M269-F287 HydrophobicContact CE-CG 3.91Å; M269-F287 HydrophobicContact CG-CB 4.06Å; M269-F287 HydrophobicContact CG-CD1 3.69Å; M269-F287 HydrophobicContact CG-CD2 4.08Å; M269-F287 HydrophobicContact CG-CE1 4.12Å; M269-F287 HydrophobicContact CG-CE2 4.46Å; M269-F287 HydrophobicContact CG-CG 3.67Å; M269-F287 HydrophobicContact CG-CZ 4.49Å; M269-F287 HydrophobicContact SD-CB 4.23Å; M269-F287 HydrophobicContact SD-CG 4.34Å; M269-W288 HydrophobicContact CB-CH2 3.51Å; M269-W288 HydrophobicContact CB-CZ2 3.51Å; M269-W288 HydrophobicContact CB-CZ3 4.4Å
270L98.3Very high96.9Very high9 Ų959.1 Ų59.15%0.04729%0.292CS..Hα-helixtrans-57.4-38.2174.2-80.8170.9000112.4V266 Y268 Q274 W288 H304 K307 L308V266-L270 HydrophobicContact CG1-CD1 4.07Å; V266-L270 HydrophobicContact CG1-CG 4.42Å; V266-L270 WeakPolarHBondContact O-CB 3.41Å; V266-L270 VanDerWaalsContact O-CG 3.28Å; V266-L270 WeakPolarHBondContact O-CG 3.36Å; V266-L270 PolarHBondContact O-N 3.13Å; Y268-L270 VanDerWaalsContact C-N 3.31Å; Y268-L270 PolarHBondContact O-N 3.18Å; L270-Q274 PolarHBondContact O-NE2 2.91Å; L270-W288 HydrophobicContact CB-CZ2 4.46Å; L270-W288 HydrophobicContact CD2-CH2 4.18Å; L270-W288 HydrophobicContact CD2-CZ2 3.98Å; L270-W288 HydrophobicContact CG-CH2 3.83Å; L270-W288 HydrophobicContact CG-CZ2 3.95Å; L270-H304 HydrophobicContact CD1-CB 4.35Å; L270-K307 HydrophobicContact CD1-CB 4.29Å; L270-K307 HydrophobicContact CD1-CD 4.36Å; L270-L308 HydrophobicContact CD2-CB 3.82Å; L270-L308 HydrophobicContact CD2-CD1 3.67Å; L270-L308 HydrophobicContact CD2-CG 4.34Å
271Q98Very high97Very high112 Ų11254.4 Ų54.452%0.52326%0.261SS..Hα-helixtrans-72.4-40.3175.3-169.2-17315.800111.4E267 Y268 M269 Q274E267-Q271 PolarHBondContact O-N 3.09Å; Y268-Q271 WeakPolarHBondContact O-CB 3.39Å; Y268-Q271 PolarHBondContact O-N 3.2Å; Y268-Q271 VanDerWaalsContact O-N 3.08Å; M269-Q271 PolarHBondContact O-N 2.91Å; Q271-Q274 CarbonylContact O-C 3.53Å; Q271-Q274 PolarHBondContact O-N 3.42Å
272R98.4Very high97.1Very high34 Ų3451.9 Ų51.913%0.12825%0.25CS..Hα-helixtrans-75.9-29.9-177.3-66.7-53.5108.4-172.311.6113.7R240 Y268 M269 Q274 D275 V280 A281 A284R240-R272 VanDerWaalsContact CD-NH1 3.33Å; Y268-R272 HydrophobicContact CD1-CG 4.24Å; Y268-R272 HydrophobicContact CD2-CG 4.03Å; Y268-R272 HydrophobicContact CE1-CG 3.77Å; Y268-R272 HydrophobicContact CE2-CG 3.51Å; Y268-R272 HydrophobicContact CG-CG 4.38Å; Y268-R272 WeakPolarHBondContact O-CG 3.49Å; Y268-R272 PolarHBondContact O-N 3.44Å; M269-R272 CarbonylContact O-C 3.51Å; M269-R272 PolarHBondContact O-N 3.4Å; R272-Q274 PolarHBondContact O-N 3.42Å; R272-D275 IonicContact CZ-OD2 3.25Å; R272-D275 IonicContact NE-OD2 3.12Å; R272-D275 IonicContact NH1-OD2 2.77Å; R272-D275 PolarHBondContact NH1-OD2 3.03Å; R272-D275 WeakPolarHBondContact O-CB 3.38Å; R272-D275 PolarHBondContact O-N 3.21Å; R272-V280 HydrophobicContact CB-CG1 4.4Å; R272-A281 VanDerWaalsContact O-CA 3.26Å; R272-A281 WeakPolarHBondContact O-CA 3.05Å; R272-A284 VanDerWaalsContact C-CB 3.49Å; R272-A284 HydrophobicContact CB-CB 3.44Å; R272-A284 VanDerWaalsContact CB-CB 3.44Å
273T98.4Very high97.2Very high8 Ų853.5 Ų53.55%0.04926%0.258CS..THydrogen-bonded Turntrans-62-15170.2-51.40000112M269 A284 C285 W288 V311 L383M269-T273 PolarHBondContact O-N 3.02Å; M269-T273 PolarHBondContact O-OG1 2.83Å; T273-A284 PolarHBondContact OG1-O 3.38Å; T273-C285 HydrophobicContact CG2-CB 3.93Å; T273-W288 PolarHBondContact OG1-NE1 3.47Å; T273-V311 HydrophobicContact CG2-CG1 3.58Å; T273-L383 HydrophobicContact CG2-CD1 4.49Å
274Q97.7Very high97.4Very high120 Ų12048 Ų4856%0.56123%0.232SC*.THydrogen-bonded Turntrans-11022.6173.6-60.1172.191.500112.2L270 Q271 R272 V311L270-Q274 PolarHBondContact O-NE2 2.91Å; Q271-Q274 CarbonylContact O-C 3.53Å; Q271-Q274 PolarHBondContact O-N 3.42Å; R272-Q274 PolarHBondContact O-N 3.42Å; Q274-V311 VanDerWaalsContact CD-CG2 3.44Å; Q274-V311 HydrophobicContact CG-CB 4.41Å; Q274-V311 HydrophobicContact CG-CG1 3.68Å; Q274-V311 HydrophobicContact CG-CG2 3.94Å; Q274-V311 VanDerWaalsContact NE2-CG2 3.33Å
275D97.6Very high97.5Very high23 Ų2342.7 Ų42.712%0.12320%0.204CC..  trans-63.4155.8176.4-153.8-63.2000110.9R240 R272 D277 V280 A281R240-D275 IonicContact CZ-OD1 3.9Å; R240-D275 IonicContact CZ-OD2 2.74Å; R240-D275 IonicContact NE-OD1 2.8Å; R240-D275 IonicContact NE-OD2 3.93Å; R240-D275 PolarHBondContact NE-OD2 2.91Å; R240-D275 IonicContact NH2-OD1 2.99Å; R240-D275 PolarHBondContact NH2-OD1 3.5Å; R240-D275 IonicContact NH2-OD2 2.73Å; R240-D275 PolarHBondContact NH2-OD2 3.22Å; R272-D275 IonicContact CZ-OD2 3.25Å; R272-D275 IonicContact NE-OD2 3.12Å; R272-D275 IonicContact NH1-OD2 2.77Å; R272-D275 PolarHBondContact NH1-OD2 3.03Å; R272-D275 WeakPolarHBondContact O-CB 3.38Å; R272-D275 PolarHBondContact O-N 3.21Å; D275-D277 VanDerWaalsContact C-N 3.29Å; D275-D277 PolarHBondContact OD1-N 3.18Å; D275-D277 VanDerWaalsContact OD1-N 3.12Å; D275-V280 HydrophobicContact CB-CB 3.91Å; D275-V280 HydrophobicContact CB-CG1 3.8Å; D275-V280 WeakPolarHBondContact OD2-CG1 3.42Å; D275-A281 HydrophobicContact CB-CB 4.45Å
276Q95.1Very high97.5Very high197 Ų19744.8 Ų44.892%0.92121%0.213SC*.SBendtrans-75-25.3176.2-66.9179.42.500111.7
277D96Very high97.5Very high45 Ų4544.8 Ų44.824%0.24121%0.213CC..SBendtrans-87117.9172.1-172.8-81.4000109.9A237 D275 N279 V280 A281A237-D277 HydrophobicContact CB-CB 3.76Å; D275-D277 VanDerWaalsContact C-N 3.29Å; D275-D277 PolarHBondContact OD1-N 3.18Å; D275-D277 VanDerWaalsContact OD1-N 3.12Å; D277-N279 VanDerWaalsContact C-N 3.25Å; D277-N279 PolarHBondContact O-N 3.09Å; D277-N279 WeakPolarHBondContact OD1-CA 3.48Å; D277-N279 VanDerWaalsContact OD1-CB 3.31Å; D277-N279 WeakPolarHBondContact OD1-CB 3.48Å; D277-N279 PolarHBondContact OD1-N 2.88Å; D277-V280 HydrophobicContact CB-CB 4.22Å; D277-V280 HydrophobicContact CB-CG2 3.83Å; D277-V280 PolarHBondContact O-N 3.26Å; D277-V280 VanDerWaalsContact O-N 3.16Å; D277-V280 PolarHBondContact OD1-N 3.17Å; D277-V280 VanDerWaalsContact OD1-N 3.1Å; D277-A281 PolarHBondContact O-N 3.12Å
278E93.3Very high97.5Very high99 Ų9941.7 Ų41.746%0.46320%0.199SC..Hα-helixtrans-62.2-30.7-176.2-69179.6168.600112.8A281 L282E278-A281 PolarHBondContact O-N 3.43Å; E278-L282 VanDerWaalsContact O-CB 3.31Å; E278-L282 WeakPolarHBondContact O-CB 3.1Å; E278-L282 PolarHBondContact O-N 2.99Å
279N95.1Very high97.3Very high85 Ų8541.4 Ų41.446%0.45520%0.199SC..Hα-helixtrans-72.3-37177.6-55.2-73.8000111.3K241 D277 A281 E283K241-N279 HydrophobicContact CD-CB 3.68Å; K241-N279 HydrophobicContact CG-CB 4.39Å; D277-N279 VanDerWaalsContact C-N 3.25Å; D277-N279 PolarHBondContact O-N 3.09Å; D277-N279 WeakPolarHBondContact OD1-CA 3.48Å; D277-N279 VanDerWaalsContact OD1-CB 3.31Å; D277-N279 WeakPolarHBondContact OD1-CB 3.48Å; D277-N279 PolarHBondContact OD1-N 2.88Å; N279-A281 VanDerWaalsContact C-N 3.33Å; N279-E283 VanDerWaalsContact O-CG 3.25Å; N279-E283 WeakPolarHBondContact O-CG 3.41Å; N279-E283 PolarHBondContact O-N 2.69Å; N279-E283 VanDerWaalsContact O-N 3.09Å
280V98.2Very high97.2Very high0 Ų042 Ų420%020%0.203CC..Hα-helixtrans-65-42.2172.2-178.50000110.5A237 R240 K241 R272 D275 D277 A284A237-V280 HydrophobicContact CB-CG2 4.02Å; A237-V280 WeakPolarHBondContact O-CG2 3.17Å; R240-V280 HydrophobicContact CB-CG1 3.83Å; R240-V280 HydrophobicContact CB-CG2 4.09Å; K241-V280 HydrophobicContact CB-CG2 3.96Å; R272-V280 HydrophobicContact CB-CG1 4.4Å; D275-V280 HydrophobicContact CB-CB 3.91Å; D275-V280 HydrophobicContact CB-CG1 3.8Å; D275-V280 WeakPolarHBondContact OD2-CG1 3.42Å; D277-V280 HydrophobicContact CB-CB 4.22Å; D277-V280 HydrophobicContact CB-CG2 3.83Å; D277-V280 PolarHBondContact O-N 3.26Å; D277-V280 VanDerWaalsContact O-N 3.16Å; D277-V280 PolarHBondContact OD1-N 3.17Å; D277-V280 VanDerWaalsContact OD1-N 3.1Å; V280-A284 VanDerWaalsContact O-CB 3.3Å; V280-A284 WeakPolarHBondContact O-CB 3.39Å; V280-A284 PolarHBondContact O-N 3.39Å
281A98.1Very high97.1Very high1 Ų141.6 Ų41.61%0.00820%0.201CC..Hα-helixtrans-63.6-42.8178.100000112.3R272 D275 D277 E278 N279 A284 C285 L383R272-A281 VanDerWaalsContact O-CA 3.26Å; R272-A281 WeakPolarHBondContact O-CA 3.05Å; D275-A281 HydrophobicContact CB-CB 4.45Å; D277-A281 PolarHBondContact O-N 3.12Å; E278-A281 PolarHBondContact O-N 3.43Å; N279-A281 VanDerWaalsContact C-N 3.33Å; A281-A284 PolarHBondContact O-N 2.92Å; A281-C285 WeakPolarHBondContact O-CB 3.47Å; A281-C285 PolarHBondContact O-N 3.3Å; A281-L383 HydrophobicContact CB-CD1 4.27Å; A281-L383 HydrophobicContact CB-CD2 3.81Å
282L97.4Very high96.9Very high26 Ų2636.5 Ų36.514%0.13618%0.178CC..Hα-helixtrans-59.8-56.2175.6176.955.6000111.3E278 A284 C285 E286 C386E278-L282 VanDerWaalsContact O-CB 3.31Å; E278-L282 WeakPolarHBondContact O-CB 3.1Å; E278-L282 PolarHBondContact O-N 2.99Å; L282-A284 PolarHBondContact O-N 3.02Å; L282-A284 VanDerWaalsContact O-N 3.17Å; L282-C285 WeakPolarHBondContact O-CA 3.16Å; L282-C285 VanDerWaalsContact O-CB 3.29Å; L282-C285 WeakPolarHBondContact O-CB 3.25Å; L282-C285 PolarHBondContact O-N 2.75Å; L282-E286 WeakPolarHBondContact O-CG 3.4Å; L282-E286 PolarHBondContact O-N 3.18Å; L282-C386 HydrophobicContact CD1-CB 3.6Å
283E97.9Very high96.5Very high42 Ų4241.3 Ų41.320%0.19620%0.202CC..Hα-helixtrans-61.6-28.4-179.7-66.4-81.8-171.100112.8K241 C244 R245 V248 N279K241-E283 HydrophobicContact CD-CG 4.48Å; K241-E283 HydrophobicContact CG-CB 4.43Å; K241-E283 HydrophobicContact CG-CG 3.7Å; C244-E283 HydrophobicContact CB-CB 3.87Å; R245-E283 VanDerWaalsContact CB-OE2 3.26Å; R245-E283 WeakPolarHBondContact CB-OE2 3.46Å; R245-E283 VanDerWaalsContact CG-OE2 3.29Å; R245-E283 WeakPolarHBondContact CG-OE2 3.41Å; V248-E283 WeakPolarHBondContact CG2-O 3.21Å; N279-E283 VanDerWaalsContact O-CG 3.25Å; N279-E283 WeakPolarHBondContact O-CG 3.41Å; N279-E283 PolarHBondContact O-N 2.69Å; N279-E283 VanDerWaalsContact O-N 3.09Å
284A98.5Very high96.3Very high0 Ų042.9 Ų42.90%021%0.208CC..Hα-helixtrans-77.4-29.6171.700000112.9C244 M269 R272 T273 V280 A281 L282 F287C244-A284 HydrophobicContact CB-CB 4.4Å; M269-A284 HydrophobicContact SD-CB 4.11Å; R272-A284 VanDerWaalsContact C-CB 3.49Å; R272-A284 HydrophobicContact CB-CB 3.44Å; R272-A284 VanDerWaalsContact CB-CB 3.44Å; T273-A284 PolarHBondContact OG1-O 3.38Å; V280-A284 VanDerWaalsContact O-CB 3.3Å; V280-A284 WeakPolarHBondContact O-CB 3.39Å; V280-A284 PolarHBondContact O-N 3.39Å; A281-A284 PolarHBondContact O-N 2.92Å; L282-A284 PolarHBondContact O-N 3.02Å; L282-A284 VanDerWaalsContact O-N 3.17Å; A284-F287 VanDerWaalsContact O-CB 3.31Å; A284-F287 WeakPolarHBondContact O-CB 3.43Å
285C98.6Very high95.9Very high0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-70.6-36.6176.5-1590000111.5T273 A281 L282 F287 W288 L383 C386T273-C285 HydrophobicContact CG2-CB 3.93Å; A281-C285 WeakPolarHBondContact O-CB 3.47Å; A281-C285 PolarHBondContact O-N 3.3Å; L282-C285 WeakPolarHBondContact O-CA 3.16Å; L282-C285 VanDerWaalsContact O-CB 3.29Å; L282-C285 WeakPolarHBondContact O-CB 3.25Å; L282-C285 PolarHBondContact O-N 2.75Å; C285-F287 PolarHBondContact O-N 3.17Å; C285-F287 VanDerWaalsContact O-N 3.1Å; C285-W288 WeakPolarHBondContact O-CB 3.35Å; C285-W288 PolarHBondContact O-N 3.13Å; C285-L383 HydrophobicContact CB-CD1 3.66Å; C285-C386 HydrophobicContact CB-CB 4.48Å; C285-C386 VanDerWaalsContact CB-SG 3.57Å; C285-C386 VanDerWaalsContact SG-SG 3.69Å
286E97.9Very high95.7Very high48 Ų4843.4 Ų43.422%0.22422%0.221CC..Hα-helixtrans-53.7-32.3174.6-64.8-72.4-157.900112.7V248 L282 W288 L289 T290 W381V248-E286 HydrophobicContact CG1-CB 4.29Å; V248-E286 HydrophobicContact CG2-CB 4.16Å; L282-E286 WeakPolarHBondContact O-CG 3.4Å; L282-E286 PolarHBondContact O-N 3.18Å; E286-W288 PolarHBondContact O-N 3.03Å; E286-W288 VanDerWaalsContact O-N 3.14Å; E286-L289 WeakPolarHBondContact O-CB 2.92Å; E286-L289 PolarHBondContact O-N 3.3Å; E286-L289 VanDerWaalsContact O-N 3.15Å; E286-L289 WeakPolarHBondContact OE2-CD1 3.49Å; E286-T290 PolarHBondContact O-N 3.32Å; E286-T290 PolarHBondContact O-OG1 3.27Å; E286-T290 VanDerWaalsContact O-OG1 3.14Å; E286-W381 PolarHBondContact OE1-NE1 3.02Å
287F98.4Very high95.7Very high0 Ų034.1 Ų34.10%018%0.178CC..Hα-helixtrans-55.5-33.6175.4-177.4-97.4000112.7V248 L251 M262 I265 V266 M269 A284 C285 L291V248-F287 HydrophobicContact CG2-CB 3.9Å; V248-F287 HydrophobicContact CG2-CD2 4.46Å; L251-F287 HydrophobicContact CD1-CE2 4.4Å; L251-F287 HydrophobicContact CD2-CD2 4.03Å; L251-F287 HydrophobicContact CD2-CE2 3.78Å; L251-F287 HydrophobicContact CD2-CZ 4.28Å; L251-F287 HydrophobicContact CG-CE2 4.47Å; M262-F287 HydrophobicContact SD-CZ 4.08Å; I265-F287 HydrophobicContact CG2-CE2 3.8Å; I265-F287 HydrophobicContact CG2-CZ 3.71Å; V266-F287 HydrophobicContact CG2-CE1 4.21Å; M269-F287 HydrophobicContact CB-CD1 3.9Å; M269-F287 HydrophobicContact CB-CE1 4.41Å; M269-F287 HydrophobicContact CB-CG 4.28Å; M269-F287 HydrophobicContact CE-CB 3.98Å; M269-F287 HydrophobicContact CE-CD2 3.66Å; M269-F287 HydrophobicContact CE-CE2 4.36Å; M269-F287 HydrophobicContact CE-CG 3.91Å; M269-F287 HydrophobicContact CG-CB 4.06Å; M269-F287 HydrophobicContact CG-CD1 3.69Å; M269-F287 HydrophobicContact CG-CD2 4.08Å; M269-F287 HydrophobicContact CG-CE1 4.12Å; M269-F287 HydrophobicContact CG-CE2 4.46Å; M269-F287 HydrophobicContact CG-CG 3.67Å; M269-F287 HydrophobicContact CG-CZ 4.49Å; M269-F287 HydrophobicContact SD-CB 4.23Å; M269-F287 HydrophobicContact SD-CG 4.34Å; A284-F287 VanDerWaalsContact O-CB 3.31Å; A284-F287 WeakPolarHBondContact O-CB 3.43Å; C285-F287 PolarHBondContact O-N 3.17Å; C285-F287 VanDerWaalsContact O-N 3.1Å; F287-L291 HydrophobicContact CD1-CD2 4.43Å; F287-L291 HydrophobicContact CE1-CB 4.45Å; F287-L291 HydrophobicContact CE1-CD2 3.63Å; F287-L291 HydrophobicContact CZ-CD2 4.03Å; F287-L291 WeakPolarHBondContact O-CB 3.31Å; F287-L291 PolarHBondContact O-N 2.93Å
288W98.1Very high95.6Very high0 Ų036.2 Ų36.20%019%0.185CC..Hα-helixtrans-73.7-40179.9-49.5123.2000112.2V266 M269 L270 T273 C285 E286 A292 L301 L308 L312 A390V266-W288 HydrophobicContact CG1-CH2 4.06Å; V266-W288 HydrophobicContact CG1-CZ3 4.08Å; V266-W288 HydrophobicContact CG2-CZ3 4.46Å; M269-W288 HydrophobicContact CB-CH2 3.51Å; M269-W288 HydrophobicContact CB-CZ2 3.51Å; M269-W288 HydrophobicContact CB-CZ3 4.4Å; L270-W288 HydrophobicContact CB-CZ2 4.46Å; L270-W288 HydrophobicContact CD2-CH2 4.18Å; L270-W288 HydrophobicContact CD2-CZ2 3.98Å; L270-W288 HydrophobicContact CG-CH2 3.83Å; L270-W288 HydrophobicContact CG-CZ2 3.95Å; T273-W288 PolarHBondContact OG1-NE1 3.47Å; C285-W288 WeakPolarHBondContact O-CB 3.35Å; C285-W288 PolarHBondContact O-N 3.13Å; E286-W288 PolarHBondContact O-N 3.03Å; E286-W288 VanDerWaalsContact O-N 3.14Å; W288-A292 WeakPolarHBondContact O-CB 3.37Å; W288-A292 PolarHBondContact O-N 3.08Å; W288-L301 HydrophobicContact CE3-CD1 4.44Å; W288-L301 HydrophobicContact CE3-CD2 4.15Å; W288-L301 HydrophobicContact CZ3-CD2 3.8Å; W288-L308 HydrophobicContact CD2-CD1 3.58Å; W288-L308 HydrophobicContact CD2-CD2 4.21Å; W288-L308 VanDerWaalsContact CE2-CD1 3.45Å; W288-L308 HydrophobicContact CE3-CD1 4.07Å; W288-L308 HydrophobicContact CE3-CD2 4.01Å; W288-L308 HydrophobicContact CG-CD1 3.95Å; W288-L308 HydrophobicContact CH2-CD1 4.34Å; W288-L308 HydrophobicContact CZ2-CD1 3.85Å; W288-L308 HydrophobicContact CZ3-CD1 4.43Å; W288-L308 HydrophobicContact CZ3-CD2 4.46Å; W288-L312 HydrophobicContact CG-CD2 4.3Å; W288-A390 HydrophobicContact CB-CB 4.04Å
289L94.3Very high95.5Very high21 Ų2138.3 Ų38.311%0.1120%0.199CC..Hα-helixtrans-58.8-58172.4-84161.6000110.1E286 L291 A292 E293 W381 A389 A390 V393E286-L289 WeakPolarHBondContact O-CB 2.92Å; E286-L289 PolarHBondContact O-N 3.3Å; E286-L289 VanDerWaalsContact O-N 3.15Å; E286-L289 WeakPolarHBondContact OE2-CD1 3.49Å; L289-L291 VanDerWaalsContact C-N 3.29Å; L289-L291 PolarHBondContact O-N 2.91Å; L289-A292 PolarHBondContact O-N 3.28Å; L289-E293 PolarHBondContact O-N 2.92Å; L289-W381 HydrophobicContact CD1-CH2 4.21Å; L289-W381 HydrophobicContact CD1-CZ2 3.73Å; L289-A389 HydrophobicContact CD1-CB 4.26Å; L289-A389 HydrophobicContact CD2-CB 3.84Å; L289-A390 HydrophobicContact CD2-CB 4.41Å; L289-A390 HydrophobicContact CG-CB 3.97Å; L289-V393 HydrophobicContact CD2-CG2 4.01Å
290T95.6Very high95.5Very high12 Ų1235.4 Ų35.47%0.07419%0.185CC..Hα-helixtrans-59.8-38-179.3-49.60000112.3V248 L251 E252 E286 Q294V248-T290 HydrophobicContact CG1-CG2 4.46Å; V248-T290 WeakPolarHBondContact CG1-OG1 3.46Å; L251-T290 HydrophobicContact CB-CG2 4.32Å; L251-T290 HydrophobicContact CD2-CG2 3.95Å; L251-T290 HydrophobicContact CG-CG2 4.33Å; E252-T290 HydrophobicContact CG-CG2 3.49Å; E252-T290 VanDerWaalsContact CG-CG2 3.49Å; E286-T290 PolarHBondContact O-N 3.32Å; E286-T290 PolarHBondContact O-OG1 3.27Å; E286-T290 VanDerWaalsContact O-OG1 3.14Å; T290-Q294 WeakPolarHBondContact O-CG 3.17Å; T290-Q294 PolarHBondContact O-NE2 3.32Å
291L96.6Very high95.4Very high0 Ų035.4 Ų35.40%019%0.185CC..Hα-helixtrans-71.4-34177.6-176.256.6000112.4L251 F287 L289 E293 Q294 I296 C297 V300 L301L251-L291 HydrophobicContact CD1-CD1 4.13Å; L251-L291 HydrophobicContact CD2-CB 3.64Å; L251-L291 HydrophobicContact CD2-CD1 4.06Å; L251-L291 HydrophobicContact CD2-CG 4.4Å; F287-L291 HydrophobicContact CD1-CD2 4.43Å; F287-L291 HydrophobicContact CE1-CB 4.45Å; F287-L291 HydrophobicContact CE1-CD2 3.63Å; F287-L291 HydrophobicContact CZ-CD2 4.03Å; F287-L291 WeakPolarHBondContact O-CB 3.31Å; F287-L291 PolarHBondContact O-N 2.93Å; L289-L291 VanDerWaalsContact C-N 3.29Å; L289-L291 PolarHBondContact O-N 2.91Å; L291-E293 PolarHBondContact O-N 3.42Å; L291-Q294 HydrophobicContact CD1-CB 4.4Å; L291-Q294 WeakPolarHBondContact O-CB 3.37Å; L291-Q294 PolarHBondContact O-N 2.62Å; L291-I296 HydrophobicContact CD1-CD1 4.42Å; L291-I296 HydrophobicContact CD1-CG1 4.3Å; L291-C297 VanDerWaalsContact O-CB 3.31Å; L291-C297 WeakPolarHBondContact O-CB 3.42Å; L291-V300 HydrophobicContact CD2-CG1 4.16Å; L291-L301 HydrophobicContact CD2-CD1 3.77Å; L291-L301 HydrophobicContact CD2-CD2 3.74Å; L291-L301 HydrophobicContact CD2-CG 3.65Å; L291-L301 HydrophobicContact CG-CD1 4.15Å; L291-L301 HydrophobicContact CG-CG 4.38Å
292A94.5Very high95.2Very high5 Ų538.6 Ų38.64%0.04120%0.204CC..Hα-helixtrans-64.3-31.9-178.900000112.3W288 L289 Q294 V393 L394 V397W288-A292 WeakPolarHBondContact O-CB 3.37Å; W288-A292 PolarHBondContact O-N 3.08Å; L289-A292 PolarHBondContact O-N 3.28Å; A292-Q294 VanDerWaalsContact C-N 3.28Å; A292-Q294 PolarHBondContact O-N 3.32Å; A292-V393 HydrophobicContact CB-CB 4.13Å; A292-V393 HydrophobicContact CB-CG1 3.51Å; A292-L394 HydrophobicContact CB-CD2 3.95Å; A292-L394 HydrophobicContact CB-CG 4.25Å; A292-V397 WeakPolarHBondContact O-CG2 3.3Å
293E89.8Confident95Very high135 Ų13547.8 Ų47.863%0.63124%0.237SC*.THydrogen-bonded Turntrans-73.8-15.2174.2-63.9172.8178.200113.6L289 L291L289-E293 PolarHBondContact O-N 2.92Å; L291-E293 PolarHBondContact O-N 3.42Å
294Q93.1Very high95Very high41 Ų4146.2 Ų46.219%0.19223%0.229CC..SBendtrans-82140.4-179.4-58.3-52.8-52.500112L251 M255 T290 L291 A292 I296 C297L251-Q294 HydrophobicContact CG-CG 4.39Å; M255-Q294 HydrophobicContact SD-CB 4.21Å; M255-Q294 HydrophobicContact SD-CG 4.16Å; T290-Q294 WeakPolarHBondContact O-CG 3.17Å; T290-Q294 PolarHBondContact O-NE2 3.32Å; L291-Q294 HydrophobicContact CD1-CB 4.4Å; L291-Q294 WeakPolarHBondContact O-CB 3.37Å; L291-Q294 PolarHBondContact O-N 2.62Å; A292-Q294 VanDerWaalsContact C-N 3.28Å; A292-Q294 PolarHBondContact O-N 3.32Å; Q294-I296 HydrophobicContact CB-CG1 4.07Å; Q294-I296 PolarHBondContact O-N 2.92Å; Q294-C297 VanDerWaalsContact O-CB 3.22Å; Q294-C297 WeakPolarHBondContact O-CB 3.46Å; Q294-C297 PolarHBondContact O-N 2.95Å
295P90.8Very high94.9Very high122 Ų12246.3 Ų46.379%0.79223%0.23SC*.THydrogen-bonded Turntrans-57.1-24.2177.6-2734.4000115.1C297P295-C297 VanDerWaalsContact C-N 3.32Å
296I92.6Very high94.9Very high32 Ų3249.7 Ų49.716%0.16425%0.252CS..THydrogen-bonded Turntrans-82.8-6.1-179.865.6164.9000113.7M255 L259 M262 L291 Q294 K298 D299 V300M255-I296 HydrophobicContact CE-CD1 4.42Å; M255-I296 HydrophobicContact CE-CG2 4.41Å; M255-I296 HydrophobicContact CG-CD1 3.88Å; M255-I296 HydrophobicContact SD-CD1 3.29Å; M255-I296 WeakPolarHBondContact SD-CD1 3.44Å; M255-I296 HydrophobicContact SD-CG1 3.69Å; L259-I296 HydrophobicContact CD2-CD1 3.55Å; L259-I296 HydrophobicContact CG-CD1 4.48Å; M262-I296 HydrophobicContact CE-CD1 4.23Å; L291-I296 HydrophobicContact CD1-CD1 4.42Å; L291-I296 HydrophobicContact CD1-CG1 4.3Å; Q294-I296 HydrophobicContact CB-CG1 4.07Å; Q294-I296 PolarHBondContact O-N 2.92Å; I296-K298 VanDerWaalsContact C-N 3.29Å; I296-K298 PolarHBondContact O-N 3.5Å; I296-D299 PolarHBondContact O-N 2.81Å; I296-D299 VanDerWaalsContact O-N 3.11Å; I296-V300 HydrophobicContact CB-CG2 4.33Å; I296-V300 HydrophobicContact CD1-CG2 3.92Å; I296-V300 HydrophobicContact CG1-CG2 4.23Å; I296-V300 WeakPolarHBondContact O-CG2 3.42Å; I296-V300 PolarHBondContact O-N 3.4Å; I296-V300 VanDerWaalsContact O-N 3.1Å
297C94.7Very high94.9Very high2 Ų252.7 Ų52.71%0.01426%0.264CS..Hα-helixtrans-46.8-51.5-173.2174.70000112.2L291 Q294 P295 D299 V300 L301 V397 Y398L291-C297 VanDerWaalsContact O-CB 3.31Å; L291-C297 WeakPolarHBondContact O-CB 3.42Å; Q294-C297 VanDerWaalsContact O-CB 3.22Å; Q294-C297 WeakPolarHBondContact O-CB 3.46Å; Q294-C297 PolarHBondContact O-N 2.95Å; P295-C297 VanDerWaalsContact C-N 3.32Å; C297-D299 PolarHBondContact O-N 2.97Å; C297-V300 PolarHBondContact O-N 3.44Å; C297-L301 WeakPolarHBondContact O-CB 3.4Å; C297-L301 PolarHBondContact O-N 3.33Å; C297-V397 HydrophobicContact CB-CG1 4.47Å; C297-Y398 PolarHBondContact O-OH 2.87Å
298K94Very high94.9Very high90 Ų9052.7 Ų52.739%0.39126%0.264SS..Hα-helixtrans-58.9-48.3-178.5-70.5-165176.6-166.90112.8I296 V300 V302 V397 Y398I296-K298 VanDerWaalsContact C-N 3.29Å; I296-K298 PolarHBondContact O-N 3.5Å; K298-V300 VanDerWaalsContact C-N 3.26Å; K298-V300 PolarHBondContact O-N 3.41Å; K298-V302 VanDerWaalsContact O-CB 3.22Å; K298-V302 WeakPolarHBondContact O-CB 3.35Å; K298-V302 VanDerWaalsContact O-CG1 3.29Å; K298-V302 WeakPolarHBondContact O-CG1 3.3Å; K298-V302 PolarHBondContact O-N 3.47Å; K298-V397 HydrophobicContact CD-CG1 4.39Å; K298-V397 WeakPolarHBondContact CE-O 3.26Å; K298-V397 HydrophobicContact CG-CG1 3.77Å; K298-V397 PolarHBondContact NZ-O 3Å; K298-Y398 WeakPolarHBondContact CA-OH 3.4Å; K298-Y398 HydrophobicContact CB-CE1 4.41Å; K298-Y398 HydrophobicContact CG-CE1 4.03Å
299D92.1Very high94.9Very high142 Ų14252.7 Ų52.776%0.75926%0.264SS*.Hα-helixtrans-64.9-34.5-177.2-68.7-27.3000111.9I296 C297I296-D299 PolarHBondContact O-N 2.81Å; I296-D299 VanDerWaalsContact O-N 3.11Å; C297-D299 PolarHBondContact O-N 2.97Å
300V94.2Very high95.1Very high25 Ų2554 Ų5415%0.15227%0.274CS..Hα-helixtrans-80.9-52.1-178172.90000111.8M262 V266 L291 I296 C297 K298 H304M262-V300 HydrophobicContact CG-CB 4.27Å; M262-V300 HydrophobicContact CG-CG1 3.4Å; M262-V300 HydrophobicContact CG-CG2 3.78Å; M262-V300 HydrophobicContact SD-CG1 4.15Å; V266-V300 HydrophobicContact CG2-CG1 3.72Å; L291-V300 HydrophobicContact CD2-CG1 4.16Å; I296-V300 HydrophobicContact CB-CG2 4.33Å; I296-V300 HydrophobicContact CD1-CG2 3.92Å; I296-V300 HydrophobicContact CG1-CG2 4.23Å; I296-V300 WeakPolarHBondContact O-CG2 3.42Å; I296-V300 PolarHBondContact O-N 3.4Å; I296-V300 VanDerWaalsContact O-N 3.1Å; C297-V300 PolarHBondContact O-N 3.44Å; K298-V300 VanDerWaalsContact C-N 3.26Å; K298-V300 PolarHBondContact O-N 3.41Å; V300-H304 PolarHBondContact O-CD2 2.72Å
301L95.8Very high95.2Very high0 Ų054 Ų540%027%0.274CS..Hα-helixtrans-90.3-18.1-166.1-70.9-176.9000114.4V266 W288 L291 C297 R303 H304 L305 L308 L394 Y398V266-L301 HydrophobicContact CG1-CD2 3.93Å; V266-L301 HydrophobicContact CG2-CD2 4.05Å; W288-L301 HydrophobicContact CE3-CD1 4.44Å; W288-L301 HydrophobicContact CE3-CD2 4.15Å; W288-L301 HydrophobicContact CZ3-CD2 3.8Å; L291-L301 HydrophobicContact CD2-CD1 3.77Å; L291-L301 HydrophobicContact CD2-CD2 3.74Å; L291-L301 HydrophobicContact CD2-CG 3.65Å; L291-L301 HydrophobicContact CG-CD1 4.15Å; L291-L301 HydrophobicContact CG-CG 4.38Å; C297-L301 WeakPolarHBondContact O-CB 3.4Å; C297-L301 PolarHBondContact O-N 3.33Å; L301-R303 PolarHBondContact O-N 2.87Å; L301-H304 CarbonylContact O-C 3.59Å; L301-H304 WeakPolarHBondContact O-CA 3.44Å; L301-H304 PolarHBondContact O-N 2.83Å; L301-L305 PolarHBondContact O-N 2.99Å; L301-L308 HydrophobicContact CD1-CD2 4.07Å; L301-L308 HydrophobicContact CD2-CD2 4.29Å; L301-L394 HydrophobicContact CD1-CD2 4.1Å; L301-Y398 VanDerWaalsContact CB-OH 3.24Å; L301-Y398 WeakPolarHBondContact CB-OH 3.36Å
302V94Very high95.3Very high67 Ų6754 Ų5441%0.40627%0.274SS..THydrogen-bonded Turntrans-51.4-37.4-175.2650000113.8K298 H304 Y398K298-V302 VanDerWaalsContact O-CB 3.22Å; K298-V302 WeakPolarHBondContact O-CB 3.35Å; K298-V302 VanDerWaalsContact O-CG1 3.29Å; K298-V302 WeakPolarHBondContact O-CG1 3.3Å; K298-V302 PolarHBondContact O-N 3.47Å; V302-H304 VanDerWaalsContact C-N 3.33Å; V302-Y398 HydrophobicContact CB-CE1 4.42Å; V302-Y398 PolarHBondContact N-OH 3.37Å
303R94.7Very high95.5Very high219 Ų21954.1 Ų54.183%0.82627%0.274SS*.THydrogen-bonded Turntrans-79.6-16.3179-62.2-174.9-176.8174.73.1113.8L301L301-R303 PolarHBondContact O-N 2.87Å
304H97Very high95.8Very high9 Ų951.8 Ų51.84%0.04227%0.266CS..THydrogen-bonded Turntrans-100.4-15.7-177.9-64.5-85.7000112.7H263 V266 E267 L270 V300 L301 V302 P306 K307 L308H263-H304 AromaticContact CE1-CE1 3.24Å; H263-H304 PolarHBondContact CE1-CE1 2.62Å; H263-H304 AromaticContact CE1-NE2 3.4Å; H263-H304 PolarHBondContact CE1-NE2 2.99Å; H263-H304 AromaticContact ND1-CE1 3.18Å; H263-H304 PolarHBondContact ND1-CE1 3.29Å; H263-H304 AromaticContact ND1-NE2 2.93Å; H263-H304 PolarHBondContact ND1-NE2 3.42Å; V266-H304 HydrophobicContact CG1-CB 3.99Å; E267-H304 IonicContact OE1-CE1 3.47Å; E267-H304 PolarHBondContact OE1-CE1 3.35Å; E267-H304 IonicContact OE1-ND1 2.86Å; E267-H304 PolarHBondContact OE1-ND1 2.95Å; L270-H304 HydrophobicContact CD1-CB 4.35Å; V300-H304 PolarHBondContact O-CD2 2.72Å; L301-H304 CarbonylContact O-C 3.59Å; L301-H304 WeakPolarHBondContact O-CA 3.44Å; L301-H304 PolarHBondContact O-N 2.83Å; V302-H304 VanDerWaalsContact C-N 3.33Å; H304-P306 VanDerWaalsContact C-N 3.3Å; H304-P306 VanDerWaalsContact O-N 3.16Å; H304-K307 WeakPolarHBondContact O-CA 3.45Å; H304-K307 PolarHBondContact O-N 2.91Å; H304-L308 PolarHBondContact O-N 2.74Å
305L96.6Very high96Very high3 Ų350.4 Ų50.42%0.01626%0.263CS..Hα-helixtrans-45.9-44.2176.5-62.4179.8000114L301 K307 L308 I309 Y398 L402L301-L305 PolarHBondContact O-N 2.99Å; L305-K307 PolarHBondContact O-N 3.13Å; L305-K307 VanDerWaalsContact O-N 3.1Å; L305-L308 PolarHBondContact O-N 3.35Å; L305-I309 HydrophobicContact CB-CG1 4.44Å; L305-I309 WeakPolarHBondContact O-CB 3.42Å; L305-I309 VanDerWaalsContact O-CG1 3.3Å; L305-I309 WeakPolarHBondContact O-CG1 3.28Å; L305-I309 PolarHBondContact O-N 3.26Å; L305-Y398 HydrophobicContact CD1-CD1 3.83Å; L305-Y398 HydrophobicContact CD1-CE1 3.72Å; L305-Y398 HydrophobicContact CD1-CG 4.25Å; L305-Y398 HydrophobicContact CD2-CD2 4.35Å; L305-Y398 HydrophobicContact CD2-CE2 3.95Å; L305-Y398 HydrophobicContact CG-CE1 4.47Å; L305-L402 HydrophobicContact CD1-CD1 4.16Å; L305-L402 HydrophobicContact CD2-CD1 4Å
306P97.4Very high96.3Very high71 Ų7144.6 Ų44.646%0.46123%0.225SC..Hα-helixtrans-61.3-22.9178.8-21.231.7000114.5H304 P310H304-P306 VanDerWaalsContact C-N 3.3Å; H304-P306 VanDerWaalsContact O-N 3.16Å; P306-P310 WeakPolarHBondContact O-CD 3.29Å; P306-P310 WeakPolarHBondContact O-CG 3.23Å
307K97.9Very high96.5Very high110 Ų11046.2 Ų46.248%0.47823%0.231SC..Hα-helixtrans-96.5-40.8175.2-63.5-179.6-177.3174.20112E267 L270 H304 L305 P310 V311E267-K307 IonicContact OE1-NZ 2.66Å; E267-K307 PolarHBondContact OE1-NZ 2.9Å; E267-K307 IonicContact OE2-NZ 3.48Å; E267-K307 PolarHBondContact OE2-NZ 3.14Å; L270-K307 HydrophobicContact CD1-CB 4.29Å; L270-K307 HydrophobicContact CD1-CD 4.36Å; H304-K307 WeakPolarHBondContact O-CA 3.45Å; H304-K307 PolarHBondContact O-N 2.91Å; L305-K307 PolarHBondContact O-N 3.13Å; L305-K307 VanDerWaalsContact O-N 3.1Å; K307-P310 WeakPolarHBondContact O-CD 3.38Å; K307-V311 WeakPolarHBondContact O-CG2 3.48Å
308L98.3Very high96.5Very high0 Ų047.4 Ų47.40%024%0.235CC..Hα-helixtrans-66.9-46.2-175.5178.556.8000112.1L270 W288 L301 H304 L305 V311 L312 L394L270-L308 HydrophobicContact CD2-CB 3.82Å; L270-L308 HydrophobicContact CD2-CD1 3.67Å; L270-L308 HydrophobicContact CD2-CG 4.34Å; W288-L308 HydrophobicContact CD2-CD1 3.58Å; W288-L308 HydrophobicContact CD2-CD2 4.21Å; W288-L308 VanDerWaalsContact CE2-CD1 3.45Å; W288-L308 HydrophobicContact CE3-CD1 4.07Å; W288-L308 HydrophobicContact CE3-CD2 4.01Å; W288-L308 HydrophobicContact CG-CD1 3.95Å; W288-L308 HydrophobicContact CH2-CD1 4.34Å; W288-L308 HydrophobicContact CZ2-CD1 3.85Å; W288-L308 HydrophobicContact CZ3-CD1 4.43Å; W288-L308 HydrophobicContact CZ3-CD2 4.46Å; L301-L308 HydrophobicContact CD1-CD2 4.07Å; L301-L308 HydrophobicContact CD2-CD2 4.29Å; H304-L308 PolarHBondContact O-N 2.74Å; L305-L308 PolarHBondContact O-N 3.35Å; L308-V311 WeakPolarHBondContact O-CA 3.44Å; L308-V311 WeakPolarHBondContact O-CB 3.37Å; L308-V311 PolarHBondContact O-N 2.77Å; L308-L312 HydrophobicContact CD1-CD1 4.13Å; L308-L312 HydrophobicContact CD1-CD2 4.3Å; L308-L312 HydrophobicContact CD1-CG 3.93Å; L308-L312 HydrophobicContact CG-CD1 4.02Å; L308-L312 HydrophobicContact CG-CG 4.24Å; L308-L312 PolarHBondContact O-N 3.15Å; L308-L394 HydrophobicContact CD2-CD1 4.09Å
309I98.4Very high96.4Very high0 Ų044.1 Ų44.10%022%0.224CC..Hα-helixtrans-60.5-47.3-175.2-63-59.6000112.1L305 V311 L312 V313 L391 L402 H405 I406 L409L305-I309 HydrophobicContact CB-CG1 4.44Å; L305-I309 WeakPolarHBondContact O-CB 3.42Å; L305-I309 VanDerWaalsContact O-CG1 3.3Å; L305-I309 WeakPolarHBondContact O-CG1 3.28Å; L305-I309 PolarHBondContact O-N 3.26Å; I309-V311 PolarHBondContact O-N 2.73Å; I309-L312 PolarHBondContact O-N 3.25Å; I309-V313 HydrophobicContact CG2-CG2 4.2Å; I309-V313 VanDerWaalsContact O-CB 3.31Å; I309-V313 WeakPolarHBondContact O-CB 3.34Å; I309-V313 WeakPolarHBondContact O-CG2 3.24Å; I309-V313 PolarHBondContact O-N 3.25Å; I309-L391 HydrophobicContact CD1-CD1 3.79Å; I309-L402 HydrophobicContact CD1-CD1 3.6Å; I309-L402 HydrophobicContact CD1-CD2 4.3Å; I309-L402 HydrophobicContact CD1-CG 4.1Å; I309-L402 HydrophobicContact CG1-CD1 4.06Å; I309-H405 HydrophobicContact CB-CB 4.21Å; I309-H405 HydrophobicContact CG1-CB 4.09Å; I309-H405 HydrophobicContact CG2-CB 4.26Å; I309-I406 HydrophobicContact CG2-CD1 4.43Å; I309-I406 HydrophobicContact CG2-CG1 3.51Å; I309-L409 HydrophobicContact CG2-CD1 4.03Å
310P98.2Very high96.3Very high50 Ų5043.7 Ų43.733%0.32522%0.221SC..Hα-helixtrans-56.4-32.5171.5-26.733.3000114.8P306 K307 N314 L409P306-P310 WeakPolarHBondContact O-CD 3.29Å; P306-P310 WeakPolarHBondContact O-CG 3.23Å; K307-P310 WeakPolarHBondContact O-CD 3.38Å; P310-N314 VanDerWaalsContact O-CB 3.3Å; P310-N314 WeakPolarHBondContact O-CB 3.33Å; P310-N314 PolarHBondContact O-N 2.71Å; P310-L409 HydrophobicContact CB-CD1 4.35Å; P310-L409 HydrophobicContact CG-CD1 4.13Å
311V98.5Very high96.1Very high11 Ų1147.3 Ų47.37%0.06724%0.239CC..Hα-helixtrans-71-50.2179.4171.60000110.9T273 Q274 K307 L308 I309 N314 G315T273-V311 HydrophobicContact CG2-CG1 3.58Å; Q274-V311 VanDerWaalsContact CD-CG2 3.44Å; Q274-V311 HydrophobicContact CG-CB 4.41Å; Q274-V311 HydrophobicContact CG-CG1 3.68Å; Q274-V311 HydrophobicContact CG-CG2 3.94Å; Q274-V311 VanDerWaalsContact NE2-CG2 3.33Å; K307-V311 WeakPolarHBondContact O-CG2 3.48Å; L308-V311 WeakPolarHBondContact O-CA 3.44Å; L308-V311 WeakPolarHBondContact O-CB 3.37Å; L308-V311 PolarHBondContact O-N 2.77Å; I309-V311 PolarHBondContact O-N 2.73Å; V311-N314 PolarHBondContact O-N 2.9Å; V311-G315 PolarHBondContact O-N 3.1Å
312L98.5Very high95.8Very high0 Ų048 Ų480%024%0.243CC..Hα-helixtrans-60-48.4176.6-64.8178.8000111W288 L308 I309 N314 G315 M316 S387 A390 L394W288-L312 HydrophobicContact CG-CD2 4.3Å; L308-L312 HydrophobicContact CD1-CD1 4.13Å; L308-L312 HydrophobicContact CD1-CD2 4.3Å; L308-L312 HydrophobicContact CD1-CG 3.93Å; L308-L312 HydrophobicContact CG-CD1 4.02Å; L308-L312 HydrophobicContact CG-CG 4.24Å; L308-L312 PolarHBondContact O-N 3.15Å; I309-L312 PolarHBondContact O-N 3.25Å; L312-N314 PolarHBondContact O-N 2.93Å; L312-G315 WeakPolarHBondContact O-CA 3.28Å; L312-G315 PolarHBondContact O-N 3.26Å; L312-M316 VanDerWaalsContact O-CG 3.31Å; L312-M316 WeakPolarHBondContact O-CG 3.44Å; L312-M316 PolarHBondContact O-N 3.15Å; L312-S387 WeakPolarHBondContact O-CB 3.45Å; L312-A390 HydrophobicContact CD1-CB 4.25Å; L312-A390 HydrophobicContact CD2-CB 4.04Å; L312-L394 HydrophobicContact CD1-CD1 3.61Å
313V98.3Very high95.6Very high7 Ų746 Ų464%0.04223%0.229CC..Hα-helixtrans-58-35.4177.1168.20000112I309 L391 L409 L413 V428I309-V313 HydrophobicContact CG2-CG2 4.2Å; I309-V313 VanDerWaalsContact O-CB 3.31Å; I309-V313 WeakPolarHBondContact O-CB 3.34Å; I309-V313 WeakPolarHBondContact O-CG2 3.24Å; I309-V313 PolarHBondContact O-N 3.25Å; V313-L391 HydrophobicContact CG2-CD2 4.36Å; V313-L409 HydrophobicContact CB-CD1 4.23Å; V313-L409 HydrophobicContact CG1-CD1 4.28Å; V313-L409 HydrophobicContact CG2-CD1 4.03Å; V313-L413 HydrophobicContact CG1-CD1 3.45Å; V313-L413 VanDerWaalsContact CG1-CD1 3.45Å; V313-V428 HydrophobicContact CB-CG2 4.41Å; V313-V428 HydrophobicContact CG1-CG2 4.13Å; V313-V428 HydrophobicContact CG2-CG1 4.43Å; V313-V428 HydrophobicContact CG2-CG2 3.92Å
314N97.5Very high95.3Very high86 Ų8641.6 Ų41.646%0.4622%0.221SC..Hα-helixtrans-73.7-36174.8-173.372.8000112.9P310 V311 L312 M316 K317P310-N314 VanDerWaalsContact O-CB 3.3Å; P310-N314 WeakPolarHBondContact O-CB 3.33Å; P310-N314 PolarHBondContact O-N 2.71Å; V311-N314 PolarHBondContact O-N 2.9Å; L312-N314 PolarHBondContact O-N 2.93Å; N314-M316 PolarHBondContact O-N 3.22Å; N314-K317 PolarHBondContact O-N 3.11Å; N314-K317 PolarHBondContact OD1-NZ 2.72Å
315G97.2Very high94.7Very high12 Ų1245.2 Ų45.212%0.12424%0.24CC..Hα-helixtrans-66-2217500000113.4V311 L312 K317 R384V311-G315 PolarHBondContact O-N 3.1Å; L312-G315 WeakPolarHBondContact O-CA 3.28Å; L312-G315 PolarHBondContact O-N 3.26Å; G315-K317 PolarHBondContact O-N 2.85Å; G315-R384 VanDerWaalsContact O-CA 3.25Å; G315-R384 WeakPolarHBondContact O-CA 3.28Å
316M97.6Very high94.1Very high0 Ų045.3 Ų45.30%024%0.241CC..THydrogen-bonded Turntrans-751.9176-68.5169.476.700114.4L312 N314 R384 A388 L391 L427 V428 A431L312-M316 VanDerWaalsContact O-CG 3.31Å; L312-M316 WeakPolarHBondContact O-CG 3.44Å; L312-M316 PolarHBondContact O-N 3.15Å; N314-M316 PolarHBondContact O-N 3.22Å; M316-R384 PolarHBondContact O-NH1 2.91Å; M316-A388 HydrophobicContact CE-CB 3.8Å; M316-A388 HydrophobicContact CG-CB 4.25Å; M316-L391 HydrophobicContact CE-CD2 4.18Å; M316-L391 HydrophobicContact SD-CB 4.35Å; M316-L391 HydrophobicContact SD-CD2 3.66Å; M316-L427 HydrophobicContact CB-CD2 4.12Å; M316-L427 HydrophobicContact CE-CB 4.17Å; M316-L427 HydrophobicContact CE-CD1 4.49Å; M316-L427 HydrophobicContact CE-CD2 3.72Å; M316-L427 HydrophobicContact CE-CG 3.45Å; M316-L427 VanDerWaalsContact CE-CG 3.45Å; M316-L427 HydrophobicContact CG-CD2 4.45Å; M316-V428 HydrophobicContact CE-CB 4.32Å; M316-V428 HydrophobicContact CE-CG2 3.64Å; M316-V428 HydrophobicContact SD-CG2 3.63Å; M316-A431 HydrophobicContact CE-CB 4.17Å
317K96.6Very high93.3Very high66 Ų6647.9 Ų47.929%0.28725%0.245SC..SBendtrans-82.5142.2173.9-68.7169.3-172.9164.70110.2N314 G315 S319 V420N314-K317 PolarHBondContact O-N 3.11Å; N314-K317 PolarHBondContact OD1-NZ 2.72Å; G315-K317 PolarHBondContact O-N 2.85Å; K317-S319 PolarHBondContact O-N 3.23Å; K317-V420 HydrophobicContact CB-CG1 4.11Å
318Y93.7Very high92.3Very high27 Ų2743.1 Ų43.111%0.10623%0.226CC..PPolyproline II helixtrans-58.8134.8170.2-76.7-63.7000111.4D322 I323 L326 R384 W419 E423 L461Y318-D322 HydrophobicContact CD1-CB 3.74Å; Y318-I323 HydrophobicContact CG-CG1 4.47Å; Y318-L326 HydrophobicContact CD1-CD1 3.93Å; Y318-L326 HydrophobicContact CE1-CD1 3.36Å; Y318-R384 VanDerWaalsContact CD1-CD 3.48Å; Y318-R384 VanDerWaalsContact CE2-NH2 3.26Å; Y318-R384 VanDerWaalsContact CZ-CZ 3.4Å; Y318-R384 VanDerWaalsContact CZ-NH2 3.32Å; Y318-R384 PolarHBondContact OH-NH2 3.36Å; Y318-W419 HydrophobicContact CD2-CH2 4.39Å; Y318-W419 HydrophobicContact CD2-CZ3 4.2Å; Y318-E423 HydrophobicContact CE2-CG 4.27Å; Y318-L461 HydrophobicContact CE2-CD1 4.21Å
319S91.6Very high91.5Very high22 Ų2249.4 Ų49.415%0.15426%0.26CS..PPolyproline II helixtrans-75.5163.1165.472.30000110.8K317 I321 D322 I323K317-S319 PolarHBondContact O-N 3.23Å; S319-I321 PolarHBondContact O-N 3.49Å; S319-I321 PolarHBondContact OG-N 3.12Å; S319-D322 WeakPolarHBondContact CB-OD2 3.41Å; S319-D322 PolarHBondContact N-OD2 3.35Å; S319-D322 PolarHBondContact O-N 3Å; S319-D322 WeakPolarHBondContact OG-CB 3.03Å; S319-D322 PolarHBondContact OG-N 2.83Å; S319-D322 PolarHBondContact OG-OD2 3.01Å; S319-I323 WeakPolarHBondContact O-CG1 3.32Å; S319-I323 PolarHBondContact O-N 2.68Å; S319-I323 VanDerWaalsContact O-N 3.07Å
320D90.8Very high91Very high132 Ų13251.9 Ų51.971%0.70628%0.275SS*.Hα-helixtrans-61.7-33174.1-70.8-28.9000111.6I324D320-I324 WeakPolarHBondContact O-CD1 3.12Å; D320-I324 VanDerWaalsContact O-CG1 3.24Å; D320-I324 WeakPolarHBondContact O-CG1 3.49Å; D320-I324 PolarHBondContact O-N 3.44Å; D320-I324 VanDerWaalsContact O-N 3.11Å
321I88.9Confident90.6Very high101 Ų10151.5 Ų51.552%0.51827%0.269SS..Hα-helixtrans-68-45.3177.4-63.4173.1000109.9S319 I323 I324 L325S319-I321 PolarHBondContact O-N 3.49Å; S319-I321 PolarHBondContact OG-N 3.12Å; I321-I323 VanDerWaalsContact C-N 3.33Å; I321-I323 PolarHBondContact O-N 3.08Å; I321-I324 PolarHBondContact O-N 2.92Å; I321-I324 VanDerWaalsContact O-N 3.16Å; I321-L325 HydrophobicContact CG2-CD1 3.94Å; I321-L325 HydrophobicContact CG2-CG 4.31Å; I321-L325 WeakPolarHBondContact O-CG 3.44Å; I321-L325 PolarHBondContact O-N 3.09Å
322D89.5Confident90.3Very high15 Ų1558 Ų588%0.0830%0.299CS..Hα-helixtrans-56.9-48.1175.9-63.3-40.4000110.6Y318 S319 I324 L325 L326 I378 N382Y318-D322 HydrophobicContact CD1-CB 3.74Å; S319-D322 WeakPolarHBondContact CB-OD2 3.41Å; S319-D322 PolarHBondContact N-OD2 3.35Å; S319-D322 PolarHBondContact O-N 3Å; S319-D322 WeakPolarHBondContact OG-CB 3.03Å; S319-D322 PolarHBondContact OG-N 2.83Å; S319-D322 PolarHBondContact OG-OD2 3.01Å; D322-I324 VanDerWaalsContact C-N 3.28Å; D322-I324 PolarHBondContact O-N 3.38Å; D322-L325 PolarHBondContact O-N 3.05Å; D322-L326 WeakPolarHBondContact O-CB 3.36Å; D322-L326 WeakPolarHBondContact O-CG 3.22Å; D322-L326 PolarHBondContact O-N 2.87Å; D322-I378 HydrophobicContact CB-CD1 3.52Å; D322-N382 PolarHBondContact OD1-ND2 3.03Å
323I90.3Very high90Very high24 Ų2459.5 Ų59.512%0.12331%0.307CS..Hα-helixtrans-59-40.5179-64.9167.7000111Y318 S319 I321 K327 G328 W419 V420Y318-I323 HydrophobicContact CG-CG1 4.47Å; S319-I323 WeakPolarHBondContact O-CG1 3.32Å; S319-I323 PolarHBondContact O-N 2.68Å; S319-I323 VanDerWaalsContact O-N 3.07Å; I321-I323 VanDerWaalsContact C-N 3.33Å; I321-I323 PolarHBondContact O-N 3.08Å; I323-K327 PolarHBondContact O-N 2.92Å; I323-G328 PolarHBondContact O-N 3.03Å; I323-W419 HydrophobicContact CD1-CH2 4.04Å; I323-W419 HydrophobicContact CD1-CZ2 3.88Å; I323-W419 HydrophobicContact CG1-CH2 4.09Å; I323-W419 HydrophobicContact CG1-CZ2 4.3Å; I323-V420 HydrophobicContact CD1-CG2 4.06Å
324I88Confident89.5Confident127 Ų12761.7 Ų61.765%0.65132%0.316SS*.Hα-helixtrans-66.4-46.9178-69.5164.4000111D320 I321 D322 L326 K327D320-I324 WeakPolarHBondContact O-CD1 3.12Å; D320-I324 VanDerWaalsContact O-CG1 3.24Å; D320-I324 WeakPolarHBondContact O-CG1 3.49Å; D320-I324 PolarHBondContact O-N 3.44Å; D320-I324 VanDerWaalsContact O-N 3.11Å; I321-I324 PolarHBondContact O-N 2.92Å; I321-I324 VanDerWaalsContact O-N 3.16Å; D322-I324 VanDerWaalsContact C-N 3.28Å; D322-I324 PolarHBondContact O-N 3.38Å; I324-L326 VanDerWaalsContact C-N 3.32Å; I324-L326 PolarHBondContact O-N 3.13Å; I324-K327 PolarHBondContact O-N 2.92Å; I324-K327 VanDerWaalsContact O-N 3.09Å
325L85.4Confident89.2Confident85 Ų8563.1 Ų63.145%0.44533%0.328SS..Hα-helixtrans-62.7-39.4-179.7-69.4174.8000111.7I321 D322 K327 I378I321-L325 HydrophobicContact CG2-CD1 3.94Å; I321-L325 HydrophobicContact CG2-CG 4.31Å; I321-L325 WeakPolarHBondContact O-CG 3.44Å; I321-L325 PolarHBondContact O-N 3.09Å; D322-L325 PolarHBondContact O-N 3.05Å; L325-K327 PolarHBondContact O-N 3.46Å; L325-I378 HydrophobicContact CB-CG1 4.01Å
326L83.9Confident88.8Confident5 Ų566.9 Ų66.93%0.02635%0.345CS..THydrogen-bonded Turntrans-72-9176.3-66.5171.3000114.4Y318 D322 I324 G328 D375 I378 L461 R503Y318-L326 HydrophobicContact CD1-CD1 3.93Å; Y318-L326 HydrophobicContact CE1-CD1 3.36Å; D322-L326 WeakPolarHBondContact O-CB 3.36Å; D322-L326 WeakPolarHBondContact O-CG 3.22Å; D322-L326 PolarHBondContact O-N 2.87Å; I324-L326 VanDerWaalsContact C-N 3.32Å; I324-L326 PolarHBondContact O-N 3.13Å; L326-G328 PolarHBondContact O-N 3Å; L326-D375 WeakPolarHBondContact CD2-OD1 3.49Å; L326-D375 VanDerWaalsContact CD2-OD2 3.31Å; L326-D375 WeakPolarHBondContact CD2-OD2 3.32Å; L326-I378 HydrophobicContact CD1-CD1 3.53Å; L326-I378 HydrophobicContact CD1-CG1 4.4Å; L326-I378 HydrophobicContact CD2-CB 4.48Å; L326-I378 HydrophobicContact CD2-CD1 3.67Å; L326-I378 HydrophobicContact CD2-CG1 3.65Å; L326-I378 HydrophobicContact CG-CD1 3.39Å; L326-I378 HydrophobicContact CG-CG1 3.73Å; L326-L461 HydrophobicContact CD1-CD2 4.39Å; L326-R503 PolarHBondContact O-NH1 3.32Å
327K79.9Confident88.3Confident126 Ų12671.4 Ų71.455%0.54837%0.374SS..THydrogen-bonded Turntrans51.243.5-163.9-52.2171.1-175.71580110.7I323 I324 L325 D329 V330I323-K327 PolarHBondContact O-N 2.92Å; I324-K327 PolarHBondContact O-N 2.92Å; I324-K327 VanDerWaalsContact O-N 3.09Å; L325-K327 PolarHBondContact O-N 3.46Å; K327-D329 PolarHBondContact O-N 3.4Å; K327-V330 HydrophobicContact CB-CB 4.31Å; K327-V330 HydrophobicContact CB-CG2 3.75Å; K327-V330 VanDerWaalsContact O-CB 3.29Å; K327-V330 WeakPolarHBondContact O-CB 3.31Å; K327-V330 WeakPolarHBondContact O-CG2 3.24Å; K327-V330 PolarHBondContact O-N 3.16Å
328G77.4Confident87.7Confident9 Ų969.9 Ų69.99%0.09337%0.369CS..THydrogen-bonded Turntrans-60.8-4.2-172.700000116.3I323 L326I323-G328 PolarHBondContact O-N 3.03Å; L326-G328 PolarHBondContact O-N 3Å
329D81.9Confident87.1Confident132 Ų13271 Ų7171%0.70638%0.381SS*.THydrogen-bonded Turntrans-88.1-9.7168.5-74.5-32.8000113.9K327 E331K327-D329 PolarHBondContact O-N 3.4Å; D329-E331 PolarHBondContact O-N 2.9Å
330V86.5Confident86.2Confident52 Ų5278.5 Ų78.532%0.31541%0.414SS..  trans-83.8100.2178.8179.30000109.2K327 D333 N501K327-V330 HydrophobicContact CB-CB 4.31Å; K327-V330 HydrophobicContact CB-CG2 3.75Å; K327-V330 VanDerWaalsContact O-CB 3.29Å; K327-V330 WeakPolarHBondContact O-CB 3.31Å; K327-V330 WeakPolarHBondContact O-CG2 3.24Å; K327-V330 PolarHBondContact O-N 3.16Å; V330-D333 HydrophobicContact CG1-CB 3.69Å; V330-N501 PolarHBondContact O-ND2 3.5Å
331E91.3Very high85.2Confident43 Ų4380.8 Ų80.820%0.20142%0.42CS..  trans-89.2-17178.5-53.8-60.4164.300113.3D329 K459 A460 N501D329-E331 PolarHBondContact O-N 2.9Å; E331-K459 WeakPolarHBondContact OE1-CD 3.46Å; E331-K459 WeakPolarHBondContact OE1-CE 3.47Å; E331-K459 IonicContact OE1-NZ 3.5Å; E331-K459 PolarHBondContact OE1-NZ 3.48Å; E331-K459 WeakPolarHBondContact OE2-CA 3.34Å; E331-A460 WeakPolarHBondContact OE2-CB 3.35Å; E331-A460 PolarHBondContact OE2-N 3Å; E331-N501 WeakPolarHBondContact O-CB 3.18Å
332E90.9Very high84.3Confident147 Ų14779 Ų7969%0.68741%0.412SS*.  trans-141.5114.4-177.8-57.3-176.9-174.300109.9S500E332-S500 WeakPolarHBondContact CA-O 3.36Å
333D91.8Very high83.2Confident32 Ų3280.6 Ų80.617%0.17142%0.42CS..  trans-142.77.9178.762.5-8.8000113.8V330 T335 I336 S500 N501 K502V330-D333 HydrophobicContact CG1-CB 3.69Å; D333-T335 PolarHBondContact O-N 3.48Å; D333-I336 HydrophobicContact CB-CB 4.4Å; D333-I336 HydrophobicContact CB-CD1 3.77Å; D333-I336 HydrophobicContact CB-CG1 4.16Å; D333-I336 WeakPolarHBondContact O-CB 3.21Å; D333-I336 PolarHBondContact O-N 3.04Å; D333-S500 PolarHBondContact N-O 3.42Å; D333-N501 VanDerWaalsContact OD1-CA 3.3Å; D333-N501 WeakPolarHBondContact OD1-CA 3.39Å; D333-K502 WeakPolarHBondContact O-CE 3.45Å; D333-K502 WeakPolarHBondContact OD1-CG 3.25Å; D333-K502 PolarHBondContact OD1-N 2.99Å
334E89.5Confident82.1Confident52 Ų5284.9 Ų84.924%0.24343%0.434CS..THydrogen-bonded Turntrans-51.6-28.3-178.460.816912500115.1S500 K540 Q542E334-S500 WeakPolarHBondContact CB-O 3.33Å; E334-S500 PolarHBondContact N-O 2.89Å; E334-K540 IonicContact OE1-NZ 3.95Å; E334-K540 PolarHBondContact OE1-NZ 2.89Å; E334-K540 WeakPolarHBondContact OE2-CE 3.49Å; E334-K540 VanDerWaalsContact OE2-CG 3.29Å; E334-K540 WeakPolarHBondContact OE2-CG 3.21Å; E334-K540 IonicContact OE2-NZ 2.9Å; E334-K540 PolarHBondContact OE2-NZ 3.14Å; E334-Q542 PolarHBondContact O-NE2 3.34Å
335T89.6Confident80.8Confident116 Ų11683.8 Ų83.871%0.71244%0.435SS*.THydrogen-bonded Turntrans-95.1-7.9-179.660.70000114.1D333 P337D333-T335 PolarHBondContact O-N 3.48Å; T335-P337 WeakPolarHBondContact O-CD 3.49Å
336I88.9Confident79.8Confident91 Ų9184 Ų8447%0.46743%0.43SS..SBendtrans-78.7126.3176.8-56.1-175.8000106.4D333 K502 Q542D333-I336 HydrophobicContact CB-CB 4.4Å; D333-I336 HydrophobicContact CB-CD1 3.77Å; D333-I336 HydrophobicContact CB-CG1 4.16Å; D333-I336 WeakPolarHBondContact O-CB 3.21Å; D333-I336 PolarHBondContact O-N 3.04Å; I336-K502 WeakPolarHBondContact O-CE 3.11Å; I336-K502 PolarHBondContact O-NZ 2.91Å; I336-Q542 WeakPolarHBondContact O-CG 3.42Å
337P87.2Confident79Confident96 Ų9690.4 Ų90.462%0.62346%0.458SS*.PPolyproline II helixtrans-62.4151.6173.9-24.435.5000112.1T335T335-P337 WeakPolarHBondContact O-CD 3.49Å
338D85.1Confident78.2Confident34 Ų3485.3 Ų85.318%0.18244%0.436CS..PPolyproline II helixtrans-66.3145.5173.3-60.7-38.2000111I343 K502 Q542 H543 K544D338-I343 HydrophobicContact CB-CD1 4.24Å; D338-I343 HydrophobicContact CB-CG1 4.37Å; D338-K502 IonicContact OD1-NZ 2.72Å; D338-K502 PolarHBondContact OD1-NZ 3.2Å; D338-Q542 WeakPolarHBondContact OD2-CB 3.44Å; D338-H543 WeakPolarHBondContact OD2-CA 3.45Å; D338-H543 WeakPolarHBondContact OD2-CB 3.43Å; D338-H543 PolarHBondContact OD2-N 3.14Å; D338-K544 PolarHBondContact OD2-N 3.07Å
339S79.9Confident77.3Confident50 Ų5092.3 Ų92.335%0.3546%0.46SS..PPolyproline II helixtrans-76.4140.3171.3-175.90000109.5Q341 D342S339-Q341 PolarHBondContact O-N 3.47Å; S339-Q341 VanDerWaalsContact O-N 3.09Å; S339-Q341 PolarHBondContact OG-N 2.86Å; S339-D342 VanDerWaalsContact CB-OD2 3.22Å; S339-D342 WeakPolarHBondContact CB-OD2 3.36Å; S339-D342 PolarHBondContact O-N 2.97Å
340E73.1Confident75.9Confident180 Ų18087.8 Ų87.884%0.84144%0.438SS*.G310 helixtrans-56.1-26.7172.4-69.1179.9179.200112.7D342E340-D342 VanDerWaalsContact C-N 3.34Å
341Q70.1Confident74.4Confident179 Ų17989.8 Ų89.884%0.83644%0.44SS*.G310 helixtrans-75.8-22177.3-63.2178.1-300113.3S339 I343S339-Q341 PolarHBondContact O-N 3.47Å; S339-Q341 VanDerWaalsContact O-N 3.09Å; S339-Q341 PolarHBondContact OG-N 2.86Å; Q341-I343 VanDerWaalsContact C-N 3.33Å
342D69Low72.7Confident64 Ų6489.2 Ų89.234%0.34244%0.44SS..G310 helixtrans-91.2-2-178.9-55.8-19.3000111S339 E340S339-D342 VanDerWaalsContact CB-OD2 3.22Å; S339-D342 WeakPolarHBondContact CB-OD2 3.36Å; S339-D342 PolarHBondContact O-N 2.97Å; E340-D342 VanDerWaalsContact C-N 3.34Å
343I68Low71Confident49 Ų4983.7 Ų83.725%0.25142%0.416SS..SBendtrans-99.2105.2-179.5-63.6158.5000108.6D338 Q341 H543D338-I343 HydrophobicContact CB-CD1 4.24Å; D338-I343 HydrophobicContact CB-CG1 4.37Å; Q341-I343 VanDerWaalsContact C-N 3.33Å; I343-H543 HydrophobicContact CD1-CB 4.48Å; I343-H543 WeakPolarHBondContact CD1-ND1 3.41Å
344R65.7Low69Low114 Ų11484.4 Ų84.443%0.4343%0.426SS..PPolyproline II helixtrans-65.5140.8175.6-67.5-171.4-172.4-163.32.3110.8R346 D373 D376R344-R346 PolarHBondContact O-N 2.7Å; R344-D373 IonicContact CZ-OD2 3.63Å; R344-D373 IonicContact NH1-OD2 3.56Å; R344-D373 PolarHBondContact NH1-OD2 3.28Å; R344-D373 PolarHBondContact NH2-O 3.34Å; R344-D373 IonicContact NH2-OD1 2.82Å; R344-D373 IonicContact NH2-OD2 3.59Å; R344-D373 PolarHBondContact NH2-OD2 3.35Å; R344-D376 IonicContact CZ-OD1 3.92Å; R344-D376 IonicContact NE-OD1 2.82Å; R344-D376 PolarHBondContact NE-OD1 3.07Å; R344-D376 IonicContact NH2-OD1 3.47Å; R344-D376 PolarHBondContact NH2-OD1 2.91Å
345P62.3Low66.9Low103 Ų10383.6 Ų83.667%0.66942%0.422SS*.PPolyproline II helixtrans-59.7124.6167.3-18.230.1000109.9F347P345-F347 HydrophobicContact CB-CE2 4.37Å
346R64.4Low64.3Low89 Ų8985.8 Ų85.834%0.33643%0.425SS..PPolyproline II helixtrans-90.5142.6174.9-67.7-155.276.9168.52.9112.3R344 L547 P593R344-R346 PolarHBondContact O-N 2.7Å; R346-L547 HydrophobicContact CG-CD1 4.4Å; R346-P593 VanDerWaalsContact NH1-CG 3.29Å
347F66.5Low61.8Low140 Ų14085.5 Ų85.561%0.61442%0.421SS*.  trans-120.5150169.4-57.3-84000107.6P345P345-F347 HydrophobicContact CB-CE2 4.37Å
348H63.2Low59.3Low19 Ų1985.8 Ų85.89%0.08841%0.414CS..  trans-75.2143178.1167.157.9000111.6F592 E596 D647 I650 V651 D654H348-F592 HydrophobicContact CB-CD2 4.46Å; H348-E596 IonicContact CE1-OE1 2.76Å; H348-E596 IonicContact CG-OE1 3.22Å; H348-E596 IonicContact ND1-OE1 3.41Å; H348-E596 PolarHBondContact ND1-OE1 3.31Å; H348-D647 HydrophobicContact CB-CB 3.79Å; H348-D647 PolarHBondContact N-OD2 3.18Å; H348-D647 VanDerWaalsContact N-OD2 3.13Å; H348-I650 WeakPolarHBondContact CD2-CG2 3.41Å; H348-I650 WeakPolarHBondContact NE2-CG2 3.34Å; H348-V651 HydrophobicContact CB-CG1 3.95Å; H348-V651 VanDerWaalsContact CE1-CG1 3.44Å; H348-V651 WeakPolarHBondContact CE1-CG1 3.1Å; H348-V651 WeakPolarHBondContact ND1-CG1 3.38Å; H348-D654 IonicContact CE1-OD2 3.4Å; H348-D654 IonicContact NE2-OD2 2.67Å
349R57.7Low56.5Low156 Ų15690.6 Ų90.659%0.58944%0.435SS*.  trans-105.6119.9169.4-69-173176172.4-1.2109.9D367 D370R349-D367 IonicContact CZ-OD2 2.63Å; R349-D367 IonicContact NE-OD2 3.26Å; R349-D370 IonicContact CZ-OD2 3.3Å; R349-D370 IonicContact NH1-OD2 2.56Å; R349-D370 IonicContact NH2-OD2 2.92Å; R349-D370 PolarHBondContact NH2-OD2 3.28Å
350S53.5Low54.1Low37 Ų3795.2 Ų95.226%0.25946%0.456SS..PPolyproline II helixtrans-73.6138-172.2-62.90000113.8E690S350-E690 WeakPolarHBondContact OG-CB 3.28Å
351R55.8Low52Low95 Ų9589.8 Ų89.836%0.35845%0.449SS..PPolyproline II helixtrans-85.8131.5-178.9-175.1172.5158.9173.6-9.5112.7E661 Q693R351-E661 IonicContact NH2-OE2 2.68Å; R351-Q693 PolarHBondContact O-NE2 2.9Å
352T55Low49.9Very low31 Ų3188.4 Ų88.419%0.1945%0.445CS..PPolyproline II helixtrans-92.9137.9169.9-58.40000109.9A354 N734T352-A354 PolarHBondContact O-N 3.18Å; T352-A354 VanDerWaalsContact O-N 3.08Å; T352-N734 HydrophobicContact CG2-CB 4.38Å; T352-N734 WeakPolarHBondContact CG2-ND2 3.3Å
353V54.1Low48.1Very low31 Ų3191.1 Ų91.119%0.18846%0.456CS..  trans-77.296.7170.9-176.10000108.5A697 N734 N735 W738 N778V353-A697 HydrophobicContact CG2-CB 3.73Å; V353-N734 PolarHBondContact O-ND2 3.35Å; V353-N734 VanDerWaalsContact O-ND2 3.1Å; V353-N735 WeakPolarHBondContact CB-OD1 3.19Å; V353-N735 PolarHBondContact N-OD1 2.8Å; V353-W738 HydrophobicContact CG1-CD2 4.15Å; V353-W738 HydrophobicContact CG1-CG 4.3Å; V353-W738 HydrophobicContact CG1-CZ2 4.4Å; V353-N778 PolarHBondContact O-ND2 3.01Å
354A51.2Low46.2Very low46 Ų4697.7 Ų97.738%0.3849%0.486SS..  trans-102.2154.9168.200000110.4T352 T774T352-A354 PolarHBondContact O-N 3.18Å; T352-A354 VanDerWaalsContact O-N 3.08Å; A354-T774 HydrophobicContact CB-CG2 4.21Å
355Q45.5Very low44.5Very low35 Ų3597.5 Ų97.516%0.16449%0.49CS..  trans-67.4140.1169.1-67.2-17819.500109H357 I812 N815Q355-H357 PolarHBondContact O-CD2 3.08Å; Q355-H357 PolarHBondContact O-N 3.19Å; Q355-I812 VanDerWaalsContact OE1-CG2 3.28Å; Q355-N815 PolarHBondContact OE1-ND2 3.4Å
356Q34.4Very low42.9Very low163 Ų163100.6 Ų100.676%0.76250%0.501SS*.  trans-58.3104.4170-69.8177.7-12.800109.1
357H36.9Very low41.3Very low85 Ų85100.5 Ų100.539%0.39451%0.507SS..  trans-98.2140.5170.7-72.9-77.1000109Q355 E777Q355-H357 PolarHBondContact O-CD2 3.08Å; Q355-H357 PolarHBondContact O-N 3.19Å; H357-E777 IonicContact CE1-OE2 2.72Å; H357-E777 IonicContact NE2-OE2 2.65Å
358E33.9Very low39.6Very low101 Ų101100.2 Ų100.247%0.47251%0.512SS..SBendtrans-101.84.4165.7-96.3178.6170.500111.7R813E358-R813 IonicContact OE2-CZ 3.52Å; E358-R813 IonicContact OE2-NH1 3.36Å; E358-R813 PolarHBondContact OE2-NH1 3.38Å; E358-R813 IonicContact OE2-NH2 3.43Å; E358-R813 PolarHBondContact OE2-NH2 3.45Å
359E26.2Very low38Very low135 Ų135106.6 Ų106.663%0.63155%0.546SS*.SBendtrans-149.8127.8-179.5-75.7176.7153.700112.3R813E359-R813 IonicContact OE2-NH2 2.65Å
360D29.6Very low36.9Very low147 Ų147102.4 Ų102.479%0.78654%0.536SS*.  trans59.9105.7157.1-62.5-31.2000119.9
361G29.4Very low36.2Very low66 Ų66104.6 Ų104.668%0.6854%0.542SS*.  138.596.3128.500000116.4
362I26.5Very low35.3Very low150 Ų150103.2 Ų103.277%0.76954%0.541SS*.  trans30.596.8132.9-50.2169000113.5E364I362-E364 HydrophobicContact CG2-CG 4.21Å; I362-E364 PolarHBondContact O-N 2.92Å
363E30.3Very low34.7Very low122 Ų122103.9 Ų103.957%0.5754%0.543SS*.  trans-71.4109153.5-68.3-168.3157.100106.7E365E363-E365 PolarHBondContact O-N 3.25Å
364E27.8Very low34.3Very low186 Ų186105.6 Ų105.687%0.86955%0.551SS**  trans-7068.8161.2-68.8178.8-178.600107.9I362I362-E364 HydrophobicContact CG2-CG 4.21Å; I362-E364 PolarHBondContact O-N 2.92Å
365E30.4Very low34.4Very low110 Ų110104.4 Ų104.451%0.51454%0.539SS..  trans-107.9126.6150.7-70.8-169.217900105.1E363 D367E363-E365 PolarHBondContact O-N 3.25Å; E365-D367 PolarHBondContact O-N 3.41Å
366D29.2Very low34.7Very low168 Ų168104.8 Ų104.890%0.89854%0.542SS*.SBendtrans-61.757.2-174.5-64-56.6000113.1
367D31.1Very low35.6Very low88 Ų8899.3 Ų99.347%0.47152%0.52SS..  trans-117.88.1-179.5-94.46.2000112.4R349 E365 D369R349-D367 IonicContact CZ-OD2 2.63Å; R349-D367 IonicContact NE-OD2 3.26Å; E365-D367 PolarHBondContact O-N 3.41Å; D367-D369 PolarHBondContact O-N 3.06Å
368D30Very low36.5Very low133 Ų13395.6 Ų95.671%0.71150%0.503SS*.G310 helixtrans-72.71.2175.3-82.8-19.1000114.2D370D368-D370 VanDerWaalsContact C-N 3.33Å
369D30.5Very low37.7Very low153 Ų15394.6 Ų94.682%0.81851%0.507SS*.G310 helixtrans-82.9-5.3176.2-83.6-19.2000113.7D367D367-D369 PolarHBondContact O-N 3.06Å
370D34.1Very low40.2Very low68 Ų6894.1 Ų94.136%0.36451%0.508SS..G310 helixtrans-83.9-17.2-178.4-80.2-19.2000114.4R349 D368 I372 D373R349-D370 IonicContact CZ-OD2 3.3Å; R349-D370 IonicContact NH1-OD2 2.56Å; R349-D370 IonicContact NH2-OD2 2.92Å; R349-D370 PolarHBondContact NH2-OD2 3.28Å; D368-D370 VanDerWaalsContact C-N 3.33Å; D370-I372 VanDerWaalsContact C-N 3.27Å; D370-I372 PolarHBondContact O-N 3.47Å; D370-D373 PolarHBondContact O-N 3.44Å
371E37.8Very low43.1Very low83 Ų8392.4 Ų92.439%0.38849%0.491SS..THydrogen-bonded Turntrans-70.3-17.2-172.2-81.3-163.3-17600115W468 R472E371-W468 PolarHBondContact O-NE1 2.85Å; E371-W468 VanDerWaalsContact O-NE1 3.12Å; E371-R472 IonicContact OE1-NH1 3.54Å; E371-R472 IonicContact OE2-CZ 2.76Å; E371-R472 IonicContact OE2-NE 3.55Å; E371-R472 IonicContact OE2-NH1 3.95Å; E371-R472 PolarHBondContact OE2-NH1 3.19Å
372I38.4Very low46.1Very low67 Ų6790.3 Ų90.334%0.34446%0.464SS..THydrogen-bonded Turntrans-98.9-8.9173.7-55.6178.1000111.1D370 D374 K385D370-I372 VanDerWaalsContact C-N 3.27Å; D370-I372 PolarHBondContact O-N 3.47Å; I372-D374 PolarHBondContact O-N 2.92Å; I372-K385 HydrophobicContact CG2-CG 4.3Å
373D41.7Very low49.4Very low44 Ų4485 Ų8524%0.23544%0.437CS..THydrogen-bonded Turntrans-88.46.6-168.9-156.540.5000115.4R344 D370 D375R344-D373 IonicContact CZ-OD2 3.63Å; R344-D373 IonicContact NH1-OD2 3.56Å; R344-D373 PolarHBondContact NH1-OD2 3.28Å; R344-D373 PolarHBondContact NH2-O 3.34Å; R344-D373 IonicContact NH2-OD1 2.82Å; R344-D373 IonicContact NH2-OD2 3.59Å; R344-D373 PolarHBondContact NH2-OD2 3.35Å; D370-D373 PolarHBondContact O-N 3.44Å; D373-D375 PolarHBondContact O-N 3.37Å
374D46.5Very low52.5Low67 Ų6779.9 Ų79.936%0.35841%0.413SS..THydrogen-bonded Turntrans-64.3-4.1177.6-79.8-9.5000114.3I372 D376I372-D374 PolarHBondContact O-N 2.92Å; D374-D376 PolarHBondContact O-N 3.07Å
375D52.2Low55.6Low21 Ų2171.9 Ų71.911%0.11238%0.375CS..  trans-92.359-176.5-136.18.1000113.4L326 D373 T377 I378 R503L326-D375 WeakPolarHBondContact CD2-OD1 3.49Å; L326-D375 VanDerWaalsContact CD2-OD2 3.31Å; L326-D375 WeakPolarHBondContact CD2-OD2 3.32Å; D373-D375 PolarHBondContact O-N 3.37Å; D375-T377 PolarHBondContact O-N 3.08Å; D375-I378 CarbonylContact O-C 3.6Å; D375-I378 WeakPolarHBondContact O-CA 3.2Å; D375-I378 PolarHBondContact O-N 3.17Å; D375-I378 VanDerWaalsContact O-O 3.06Å; D375-R503 IonicContact OD1-CZ 3.94Å; D375-R503 VanDerWaalsContact OD1-CZ 3.26Å; D375-R503 IonicContact OD1-NE 2.85Å; D375-R503 PolarHBondContact OD1-NE 2.67Å; D375-R503 IonicContact OD1-NH2 2.66Å; D375-R503 PolarHBondContact OD1-NH2 2.76Å
376D51.7Low58.8Low44 Ų4466.6 Ų66.624%0.23535%0.35CS..G310 helixtrans-49.7-26.7-175.9-78.8-32.6000115.9R344 D374 K544R344-D376 IonicContact CZ-OD1 3.92Å; R344-D376 IonicContact NE-OD1 2.82Å; R344-D376 PolarHBondContact NE-OD1 3.07Å; R344-D376 IonicContact NH2-OD1 3.47Å; R344-D376 PolarHBondContact NH2-OD1 2.91Å; D374-D376 PolarHBondContact O-N 3.07Å; D376-K544 WeakPolarHBondContact OD2-CE 3.39Å; D376-K544 IonicContact OD2-NZ 3.53Å; D376-K544 PolarHBondContact OD2-NZ 3.3Å
377T53.4Low62.1Low48 Ų4858.6 Ų58.629%0.29431%0.307SS..G310 helixtrans-82.3-19.817911.50000113.2D375 R503D375-T377 PolarHBondContact O-N 3.08Å; T377-R503 PolarHBondContact OG1-NH2 2.93Å
378I55.1Low65.2Low7 Ų754.7 Ų54.74%0.03629%0.287CS..G310 helixtrans-118.270.7165-54.3173.2000107.2D322 L325 L326 D375 D380 K385D322-I378 HydrophobicContact CB-CD1 3.52Å; L325-I378 HydrophobicContact CB-CG1 4.01Å; L326-I378 HydrophobicContact CD1-CD1 3.53Å; L326-I378 HydrophobicContact CD1-CG1 4.4Å; L326-I378 HydrophobicContact CD2-CB 4.48Å; L326-I378 HydrophobicContact CD2-CD1 3.67Å; L326-I378 HydrophobicContact CD2-CG1 3.65Å; L326-I378 HydrophobicContact CG-CD1 3.39Å; L326-I378 HydrophobicContact CG-CG1 3.73Å; D375-I378 CarbonylContact O-C 3.6Å; D375-I378 WeakPolarHBondContact O-CA 3.2Å; D375-I378 PolarHBondContact O-N 3.17Å; D375-I378 VanDerWaalsContact O-O 3.06Å; I378-D380 PolarHBondContact O-N 3.38Å; I378-K385 PolarHBondContact O-NZ 2.86Å
379S60.9Low68.4Low79 Ų7949 Ų4955%0.55226%0.259SS*.  trans-62.9-25173.1171.30000112.1
380D78.1Confident71.6Confident125 Ų12541.8 Ų41.867%0.66822%0.22SC*.SBendtrans-74.2137.5-176.1-66-25.4000112.3I378 N382I378-D380 PolarHBondContact O-N 3.38Å; D380-N382 PolarHBondContact O-N 3.21Å
381W89.5Confident74.6Confident112 Ų11238.5 Ų38.542%0.42420%0.203SC..  trans-63.3124.3170.1-178-112.4000110.7E286 L289 K385 C386 A389E286-W381 PolarHBondContact OE1-NE1 3.02Å; L289-W381 HydrophobicContact CD1-CH2 4.21Å; L289-W381 HydrophobicContact CD1-CZ2 3.73Å; W381-K385 HydrophobicContact CE3-CB 3.82Å; W381-K385 HydrophobicContact CE3-CD 4.36Å; W381-K385 HydrophobicContact CH2-CB 4.47Å; W381-K385 HydrophobicContact CZ3-CB 3.78Å; W381-C386 HydrophobicContact CH2-CB 4.3Å; W381-C386 VanDerWaalsContact CZ2-CA 3.4Å; W381-C386 HydrophobicContact CZ2-CB 3.52Å; W381-A389 HydrophobicContact CH2-CB 3.95Å
382N92.7Very high77.5Confident22 Ų2235.9 Ų35.912%0.11819%0.191CC..  trans-133.7173.1-173.271.811.2000112.5D322 D380 R384 K385 C386D322-N382 PolarHBondContact OD1-ND2 3.03Å; D380-N382 PolarHBondContact O-N 3.21Å; N382-R384 PolarHBondContact O-N 3.34Å; N382-R384 PolarHBondContact OD1-N 3.49Å; N382-K385 PolarHBondContact O-N 2.74Å; N382-K385 WeakPolarHBondContact OD1-CG 3.34Å; N382-K385 PolarHBondContact OD1-N 3.03Å; N382-C386 WeakPolarHBondContact O-CB 3.34Å; N382-C386 PolarHBondContact O-N 2.64Å
383L95.4Very high80.3Confident37 Ų3734.7 Ų34.719%0.19419%0.187CC..Hα-helixtrans-59.7-34-177-179.861.4000112.8T273 A281 C285 S387T273-L383 HydrophobicContact CG2-CD1 4.49Å; A281-L383 HydrophobicContact CB-CD1 4.27Å; A281-L383 HydrophobicContact CB-CD2 3.81Å; C285-L383 HydrophobicContact CB-CD1 3.66Å; L383-S387 VanDerWaalsContact O-CB 3.24Å; L383-S387 WeakPolarHBondContact O-CB 3.45Å; L383-S387 PolarHBondContact O-N 3.41Å; L383-S387 PolarHBondContact O-OG 3.32Å
384R95.8Very high82.9Confident16 Ų1632.6 Ų32.66%0.0618%0.176CC..Hα-helixtrans-66.1-52.5178.6171.7177.3168.1110.2-7.6111.7G315 M316 Y318 N382 S387 A388 E423 L427G315-R384 VanDerWaalsContact O-CA 3.25Å; G315-R384 WeakPolarHBondContact O-CA 3.28Å; M316-R384 PolarHBondContact O-NH1 2.91Å; Y318-R384 VanDerWaalsContact CD1-CD 3.48Å; Y318-R384 VanDerWaalsContact CE2-NH2 3.26Å; Y318-R384 VanDerWaalsContact CZ-CZ 3.4Å; Y318-R384 VanDerWaalsContact CZ-NH2 3.32Å; Y318-R384 PolarHBondContact OH-NH2 3.36Å; N382-R384 PolarHBondContact O-N 3.34Å; N382-R384 PolarHBondContact OD1-N 3.49Å; R384-S387 PolarHBondContact O-N 2.94Å; R384-A388 WeakPolarHBondContact O-CB 3.37Å; R384-A388 PolarHBondContact O-N 2.8Å; R384-E423 IonicContact CZ-OE1 2.7Å; R384-E423 IonicContact CZ-OE2 3.79Å; R384-E423 VanDerWaalsContact CZ-OE2 3.31Å; R384-E423 IonicContact NH1-OE1 3.48Å; R384-E423 IonicContact NH1-OE2 2.8Å; R384-E423 PolarHBondContact NH1-OE2 2.8Å; R384-E423 IonicContact NH2-OE1 3.96Å; R384-E423 PolarHBondContact NH2-OE1 3.44Å; R384-E423 IonicContact NH2-OE2 2.76Å; R384-E423 PolarHBondContact NH2-OE2 3.45Å; R384-L427 HydrophobicContact CG-CD2 4.44Å
385K94Very high85.4Confident17 Ų1729.4 Ų29.47%0.07416%0.159CC..Hα-helixtrans-59.3-48.5177.1-72.1-179.4171.7-175.90110.5I372 I378 W381 N382 S387 A388 A389I372-K385 HydrophobicContact CG2-CG 4.3Å; I378-K385 PolarHBondContact O-NZ 2.86Å; W381-K385 HydrophobicContact CE3-CB 3.82Å; W381-K385 HydrophobicContact CE3-CD 4.36Å; W381-K385 HydrophobicContact CH2-CB 4.47Å; W381-K385 HydrophobicContact CZ3-CB 3.78Å; N382-K385 PolarHBondContact O-N 2.74Å; N382-K385 WeakPolarHBondContact OD1-CG 3.34Å; N382-K385 PolarHBondContact OD1-N 3.03Å; K385-S387 PolarHBondContact O-N 2.92Å; K385-A388 PolarHBondContact O-N 3.44Å; K385-A389 WeakPolarHBondContact O-CB 3.31Å; K385-A389 PolarHBondContact O-N 3.07Å
386C96.8Very high87.5Confident0 Ų030.3 Ų30.30%016%0.164CC..Hα-helixtrans-59.3-43.5177.5-176.10000112.6L282 C285 W381 N382 A388 A390L282-C386 HydrophobicContact CD1-CB 3.6Å; C285-C386 HydrophobicContact CB-CB 4.48Å; C285-C386 VanDerWaalsContact CB-SG 3.57Å; C285-C386 VanDerWaalsContact SG-SG 3.69Å; W381-C386 HydrophobicContact CH2-CB 4.3Å; W381-C386 VanDerWaalsContact CZ2-CA 3.4Å; W381-C386 HydrophobicContact CZ2-CB 3.52Å; N382-C386 WeakPolarHBondContact O-CB 3.34Å; N382-C386 PolarHBondContact O-N 2.64Å; C386-A388 PolarHBondContact O-N 3.49Å; C386-A390 VanDerWaalsContact O-CB 3.23Å; C386-A390 WeakPolarHBondContact O-CB 3.39Å; C386-A390 PolarHBondContact O-N 3.19Å
387S97.9Very high89.6Confident0 Ų029.8 Ų29.80%016%0.162CC..Hα-helixtrans-66.3-37.1177.9-59.20000112.8L312 L383 R384 K385 L391L312-S387 WeakPolarHBondContact O-CB 3.45Å; L383-S387 VanDerWaalsContact O-CB 3.24Å; L383-S387 WeakPolarHBondContact O-CB 3.45Å; L383-S387 PolarHBondContact O-N 3.41Å; L383-S387 PolarHBondContact O-OG 3.32Å; R384-S387 PolarHBondContact O-N 2.94Å; K385-S387 PolarHBondContact O-N 2.92Å; S387-L391 WeakPolarHBondContact O-CB 3.25Å; S387-L391 PolarHBondContact O-N 2.92Å; S387-L391 VanDerWaalsContact O-N 3.07Å
388A97.7Very high91.6Very high5 Ų527.6 Ų27.64%0.04115%0.148CC..Hα-helixtrans-67.6-49.2176.800000111.3M316 R384 K385 C386 A390 L391 D392 L427M316-A388 HydrophobicContact CE-CB 3.8Å; M316-A388 HydrophobicContact CG-CB 4.25Å; R384-A388 WeakPolarHBondContact O-CB 3.37Å; R384-A388 PolarHBondContact O-N 2.8Å; K385-A388 PolarHBondContact O-N 3.44Å; C386-A388 PolarHBondContact O-N 3.49Å; A388-A390 PolarHBondContact O-N 3.37Å; A388-L391 PolarHBondContact O-N 3.4Å; A388-L391 VanDerWaalsContact O-N 3.14Å; A388-D392 PolarHBondContact O-N 2.85Å; A388-L427 HydrophobicContact CB-CD1 4.4Å; A388-L427 HydrophobicContact CB-CD2 4.13Å; A388-L427 HydrophobicContact CB-CG 4.41Å
389A96.7Very high93.5Very high15 Ų1533.3 Ų33.312%0.12417%0.169CC..Hα-helixtrans-60.9-43.7176.500000111.4L289 W381 K385 L391 D392 V393L289-A389 HydrophobicContact CD1-CB 4.26Å; L289-A389 HydrophobicContact CD2-CB 3.84Å; W381-A389 HydrophobicContact CH2-CB 3.95Å; K385-A389 WeakPolarHBondContact O-CB 3.31Å; K385-A389 PolarHBondContact O-N 3.07Å; A389-L391 VanDerWaalsContact C-N 3.29Å; A389-L391 PolarHBondContact O-N 3.19Å; A389-D392 PolarHBondContact O-N 3.12Å; A389-V393 WeakPolarHBondContact O-CG2 3.36Å; A389-V393 PolarHBondContact O-N 3.47Å
390A97.1Very high95.2Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-58.4-42174.800000111.9W288 L289 L312 C386 A388 L394W288-A390 HydrophobicContact CB-CB 4.04Å; L289-A390 HydrophobicContact CD2-CB 4.41Å; L289-A390 HydrophobicContact CG-CB 3.97Å; L312-A390 HydrophobicContact CD1-CB 4.25Å; L312-A390 HydrophobicContact CD2-CB 4.04Å; C386-A390 VanDerWaalsContact O-CB 3.23Å; C386-A390 WeakPolarHBondContact O-CB 3.39Å; C386-A390 PolarHBondContact O-N 3.19Å; A388-A390 PolarHBondContact O-N 3.37Å; A390-L394 VanDerWaalsContact O-CB 3.32Å; A390-L394 WeakPolarHBondContact O-CB 3.29Å; A390-L394 WeakPolarHBondContact O-CD1 3.34Å; A390-L394 WeakPolarHBondContact O-CG 3.18Å; A390-L394 PolarHBondContact O-N 3.29Å
391L98Very high96Very high0 Ų032.4 Ų32.40%015%0.154CC..Hα-helixtrans-68.1-38.2178.5-174.761.9000112.2I309 V313 M316 S387 A388 A389 L394 A395 L402 I406 V428 I432I309-L391 HydrophobicContact CD1-CD1 3.79Å; V313-L391 HydrophobicContact CG2-CD2 4.36Å; M316-L391 HydrophobicContact CE-CD2 4.18Å; M316-L391 HydrophobicContact SD-CB 4.35Å; M316-L391 HydrophobicContact SD-CD2 3.66Å; S387-L391 WeakPolarHBondContact O-CB 3.25Å; S387-L391 PolarHBondContact O-N 2.92Å; S387-L391 VanDerWaalsContact O-N 3.07Å; A388-L391 PolarHBondContact O-N 3.4Å; A388-L391 VanDerWaalsContact O-N 3.14Å; A389-L391 VanDerWaalsContact C-N 3.29Å; A389-L391 PolarHBondContact O-N 3.19Å; L391-L394 PolarHBondContact O-N 3.1Å; L391-A395 WeakPolarHBondContact O-CB 3.44Å; L391-A395 PolarHBondContact O-N 3.18Å; L391-L402 HydrophobicContact CD1-CD2 4.12Å; L391-I406 HydrophobicContact CD1-CD1 3.93Å; L391-V428 HydrophobicContact CD2-CB 4.45Å; L391-V428 HydrophobicContact CD2-CG1 3.99Å; L391-V428 HydrophobicContact CD2-CG2 4.18Å; L391-I432 HydrophobicContact CD2-CG2 4.19Å; L391-I432 HydrophobicContact CG-CG2 4.15Å
392D97.6Very high96.4Very high27 Ų2727 Ų2714%0.14413%0.134CC..Hα-helixtrans-61.7-54.1176.6-169.3-21.1000111.5A388 A389 L394 A395 N396 A431A388-D392 PolarHBondContact O-N 2.85Å; A389-D392 PolarHBondContact O-N 3.12Å; D392-L394 VanDerWaalsContact C-N 3.26Å; D392-L394 PolarHBondContact O-N 3.47Å; D392-A395 WeakPolarHBondContact O-CA 3.3Å; D392-A395 VanDerWaalsContact O-CB 3.31Å; D392-A395 WeakPolarHBondContact O-CB 3.39Å; D392-A395 PolarHBondContact O-N 3.08Å; D392-N396 PolarHBondContact O-N 3.04Å; D392-N396 PolarHBondContact O-ND2 2.87Å; D392-N396 PolarHBondContact OD1-ND2 3.12Å; D392-N396 VanDerWaalsContact OD1-ND2 3.13Å; D392-A431 VanDerWaalsContact CA-O 3.31Å; D392-A431 WeakPolarHBondContact CA-O 3.36Å; D392-A431 HydrophobicContact CB-CB 4.48Å
393V97.1Very high96.6Very high42 Ų4226.4 Ų26.426%0.25513%0.131SC..Hα-helixtrans-59.1-40.5177.4-1760000110.6L289 A292 A389 A395 N396 V397L289-V393 HydrophobicContact CD2-CG2 4.01Å; A292-V393 HydrophobicContact CB-CB 4.13Å; A292-V393 HydrophobicContact CB-CG1 3.51Å; A389-V393 WeakPolarHBondContact O-CG2 3.36Å; A389-V393 PolarHBondContact O-N 3.47Å; V393-A395 PolarHBondContact O-N 3.04Å; V393-N396 WeakPolarHBondContact O-CB 3.19Å; V393-N396 PolarHBondContact O-N 2.87Å; V393-V397 WeakPolarHBondContact O-CG2 3.3Å; V393-V397 PolarHBondContact O-N 3.02Å
394L97.6Very high96.7Very high0 Ų028.7 Ų28.70%015%0.148CC..Hα-helixtrans-65.2-35.7175.2-72.9171.2000112.9A292 L301 L308 L312 A390 L391 D392 N396 V397 Y398 L402A292-L394 HydrophobicContact CB-CD2 3.95Å; A292-L394 HydrophobicContact CB-CG 4.25Å; L301-L394 HydrophobicContact CD1-CD2 4.1Å; L308-L394 HydrophobicContact CD2-CD1 4.09Å; L312-L394 HydrophobicContact CD1-CD1 3.61Å; A390-L394 VanDerWaalsContact O-CB 3.32Å; A390-L394 WeakPolarHBondContact O-CB 3.29Å; A390-L394 WeakPolarHBondContact O-CD1 3.34Å; A390-L394 WeakPolarHBondContact O-CG 3.18Å; A390-L394 PolarHBondContact O-N 3.29Å; L391-L394 PolarHBondContact O-N 3.1Å; D392-L394 VanDerWaalsContact C-N 3.26Å; D392-L394 PolarHBondContact O-N 3.47Å; L394-N396 VanDerWaalsContact C-N 3.28Å; L394-N396 PolarHBondContact O-N 3.2Å; L394-V397 PolarHBondContact O-N 3.39Å; L394-Y398 HydrophobicContact CD2-CD2 4.09Å; L394-Y398 HydrophobicContact CD2-CE2 3.73Å; L394-Y398 WeakPolarHBondContact O-CD2 3.45Å; L394-Y398 PolarHBondContact O-N 3.19Å; L394-L402 HydrophobicContact CB-CD2 4.36Å
395A97.7Very high96.7Very high0 Ų030.7 Ų30.70%016%0.158CC..Hα-helixtrans-62-39.9173.200000110.5L391 D392 V393 R399 L402 I432 G435L391-A395 WeakPolarHBondContact O-CB 3.44Å; L391-A395 PolarHBondContact O-N 3.18Å; D392-A395 WeakPolarHBondContact O-CA 3.3Å; D392-A395 VanDerWaalsContact O-CB 3.31Å; D392-A395 WeakPolarHBondContact O-CB 3.39Å; D392-A395 PolarHBondContact O-N 3.08Å; V393-A395 PolarHBondContact O-N 3.04Å; A395-R399 WeakPolarHBondContact O-CA 3.47Å; A395-R399 PolarHBondContact O-N 3.02Å; A395-L402 HydrophobicContact CB-CD2 4.14Å; A395-I432 HydrophobicContact CB-CB 4.18Å; A395-I432 HydrophobicContact CB-CG2 4.21Å; A395-G435 CarbonylContact O-C 3.57Å; A395-G435 WeakPolarHBondContact O-CA 3.25Å
396N95.8Very high96.9Very high40 Ų4029.9 Ų29.921%0.21415%0.154CC..Hα-helixtrans-68.8-33.8175.1-84.8-59.2000113.4D392 V393 L394 R399D392-N396 PolarHBondContact O-N 3.04Å; D392-N396 PolarHBondContact O-ND2 2.87Å; D392-N396 PolarHBondContact OD1-ND2 3.12Å; D392-N396 VanDerWaalsContact OD1-ND2 3.13Å; V393-N396 WeakPolarHBondContact O-CB 3.19Å; V393-N396 PolarHBondContact O-N 2.87Å; L394-N396 VanDerWaalsContact C-N 3.28Å; L394-N396 PolarHBondContact O-N 3.2Å; N396-R399 WeakPolarHBondContact O-CD 3.32Å; N396-R399 PolarHBondContact O-NE 2.96Å; N396-R399 PolarHBondContact O-NH2 3.27Å; N396-R399 PolarHBondContact OD1-NH1 3.15Å
397V96Very high96.9Very high33 Ų3331.2 Ų31.220%0.216%0.161CC..Hα-helixtrans-72.2-54.5175.8172.70000111.4A292 C297 K298 V393 L394A292-V397 WeakPolarHBondContact O-CG2 3.3Å; C297-V397 HydrophobicContact CB-CG1 4.47Å; K298-V397 HydrophobicContact CD-CG1 4.39Å; K298-V397 WeakPolarHBondContact CE-O 3.26Å; K298-V397 HydrophobicContact CG-CG1 3.77Å; K298-V397 PolarHBondContact NZ-O 3Å; V393-V397 WeakPolarHBondContact O-CG2 3.3Å; V393-V397 PolarHBondContact O-N 3.02Å; L394-V397 PolarHBondContact O-N 3.39Å
398Y96.1Very high96.8Very high3 Ų334.7 Ų34.71%0.01218%0.184CC..Hα-helixtrans-87.2-19.9-171.4-73.9-82.9000113.9C297 K298 L301 V302 L305 L394 E401 L402C297-Y398 PolarHBondContact O-OH 2.87Å; K298-Y398 WeakPolarHBondContact CA-OH 3.4Å; K298-Y398 HydrophobicContact CB-CE1 4.41Å; K298-Y398 HydrophobicContact CG-CE1 4.03Å; L301-Y398 VanDerWaalsContact CB-OH 3.24Å; L301-Y398 WeakPolarHBondContact CB-OH 3.36Å; V302-Y398 HydrophobicContact CB-CE1 4.42Å; V302-Y398 PolarHBondContact N-OH 3.37Å; L305-Y398 HydrophobicContact CD1-CD1 3.83Å; L305-Y398 HydrophobicContact CD1-CE1 3.72Å; L305-Y398 HydrophobicContact CD1-CG 4.25Å; L305-Y398 HydrophobicContact CD2-CD2 4.35Å; L305-Y398 HydrophobicContact CD2-CE2 3.95Å; L305-Y398 HydrophobicContact CG-CE1 4.47Å; L394-Y398 HydrophobicContact CD2-CD2 4.09Å; L394-Y398 HydrophobicContact CD2-CE2 3.73Å; L394-Y398 WeakPolarHBondContact O-CD2 3.45Å; L394-Y398 PolarHBondContact O-N 3.19Å; Y398-E401 WeakPolarHBondContact O-CB 3.37Å; Y398-E401 PolarHBondContact O-N 3.16Å; Y398-L402 HydrophobicContact CD2-CD1 4.32Å; Y398-L402 HydrophobicContact CG-CD1 4.31Å
399R96.1Very high96.8Very high126 Ų12636.3 Ų36.348%0.47519%0.191SC..G310 helixtrans52.5-141-173.9-51.4-65.4-177.6-177.1-8.8109.9A395 N396 E401 L402 G435 C436A395-R399 WeakPolarHBondContact O-CA 3.47Å; A395-R399 PolarHBondContact O-N 3.02Å; N396-R399 WeakPolarHBondContact O-CD 3.32Å; N396-R399 PolarHBondContact O-NE 2.96Å; N396-R399 PolarHBondContact O-NH2 3.27Å; N396-R399 PolarHBondContact OD1-NH1 3.15Å; R399-E401 PolarHBondContact O-N 3.42Å; R399-L402 WeakPolarHBondContact O-CB 3.35Å; R399-L402 PolarHBondContact O-N 2.99Å; R399-G435 WeakPolarHBondContact CA-O 3.42Å; R399-G435 WeakPolarHBondContact CD-O 3.11Å; R399-C436 PolarHBondContact O-SG 3.3Å
400D96.2Very high96.7Very high62 Ų6235.8 Ų35.833%0.33219%0.187SC..G310 helixtrans-60.1-15.4-177.8-57.5-22.3000114.7L402 L403 G439D400-L402 PolarHBondContact O-N 3.16Å; D400-L403 HydrophobicContact CB-CD1 4.17Å; D400-L403 WeakPolarHBondContact O-CB 3.5Å; D400-L403 PolarHBondContact O-N 3.21Å; D400-G439 VanDerWaalsContact CG-CA 3.49Å; D400-G439 VanDerWaalsContact CG-N 3.27Å; D400-G439 VanDerWaalsContact OD1-CA 3.32Å; D400-G439 WeakPolarHBondContact OD1-CA 3.41Å; D400-G439 PolarHBondContact OD1-N 3.37Å; D400-G439 PolarHBondContact OD2-N 2.93Å
401E94.9Very high96.5Very high123 Ų12343 Ų4358%0.57522%0.218SC*.G310 helixtrans-64.4-19.2174.3-61.6-177.5178.200112.6Y398 R399 P404Y398-E401 WeakPolarHBondContact O-CB 3.37Å; Y398-E401 PolarHBondContact O-N 3.16Å; R399-E401 PolarHBondContact O-N 3.42Å; E401-P404 WeakPolarHBondContact O-CD 3.47Å
402L96.6Very high96.3Very high0 Ų050 Ų500%025%0.251CS..G310 helixtrans-77.7-29.5177.9-154.163.3000112.7L305 I309 L391 L394 A395 Y398 R399 D400 P404 H405 I406L305-L402 HydrophobicContact CD1-CD1 4.16Å; L305-L402 HydrophobicContact CD2-CD1 4Å; I309-L402 HydrophobicContact CD1-CD1 3.6Å; I309-L402 HydrophobicContact CD1-CD2 4.3Å; I309-L402 HydrophobicContact CD1-CG 4.1Å; I309-L402 HydrophobicContact CG1-CD1 4.06Å; L391-L402 HydrophobicContact CD1-CD2 4.12Å; L394-L402 HydrophobicContact CB-CD2 4.36Å; A395-L402 HydrophobicContact CB-CD2 4.14Å; Y398-L402 HydrophobicContact CD2-CD1 4.32Å; Y398-L402 HydrophobicContact CG-CD1 4.31Å; R399-L402 WeakPolarHBondContact O-CB 3.35Å; R399-L402 PolarHBondContact O-N 2.99Å; D400-L402 PolarHBondContact O-N 3.16Å; L402-P404 VanDerWaalsContact C-CD 3.46Å; L402-H405 WeakPolarHBondContact O-CB 3.5Å; L402-H405 PolarHBondContact O-N 3.16Å; L402-I406 HydrophobicContact CB-CD1 4.33Å; L402-I406 HydrophobicContact CD2-CD1 3.58Å; L402-I406 HydrophobicContact CG-CD1 3.62Å; L402-I406 HydrophobicContact CG-CG1 4.23Å; L402-I406 PolarHBondContact O-N 3.32Å
403L97.7Very high96.3Very high9 Ų949.5 Ų49.55%0.04725%0.248CC..Hα-helixtrans-57.3-39.6-171.7-66.1178.5000115.1D400 H405 I406 L407 I432 C436 G439 M440D400-L403 HydrophobicContact CB-CD1 4.17Å; D400-L403 WeakPolarHBondContact O-CB 3.5Å; D400-L403 PolarHBondContact O-N 3.21Å; L403-H405 PolarHBondContact O-N 3.27Å; L403-H405 VanDerWaalsContact O-N 3.09Å; L403-I406 PolarHBondContact O-N 2.7Å; L403-I406 VanDerWaalsContact O-N 3.07Å; L403-L407 HydrophobicContact CB-CD1 3.99Å; L403-L407 HydrophobicContact CB-CG 4.2Å; L403-L407 WeakPolarHBondContact O-CB 3.41Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.41Å; L403-L407 PolarHBondContact O-N 3.03Å; L403-I432 HydrophobicContact CD2-CD1 4.14Å; L403-C436 HydrophobicContact CD1-CB 4.39Å; L403-C436 HydrophobicContact CD2-CB 3.77Å; L403-C436 HydrophobicContact CG-CB 4.14Å; L403-G439 VanDerWaalsContact CD1-C 3.46Å; L403-M440 HydrophobicContact CD1-SD 4.47Å; L403-M440 HydrophobicContact CD2-CG 4.06Å; L403-M440 HydrophobicContact CD2-SD 3.6Å; L403-M440 VanDerWaalsContact CD2-SD 3.6Å
404P96.8Very high96.2Very high85 Ų8547.7 Ų47.755%0.55224%0.237SC*.Hα-helixtrans-58.1-24.1176.3-25.836.1000114.2E401 L402 P408E401-P404 WeakPolarHBondContact O-CD 3.47Å; L402-P404 VanDerWaalsContact C-CD 3.46Å; P404-P408 WeakPolarHBondContact O-CD 3.39Å; P404-P408 WeakPolarHBondContact O-CG 3.29Å
405H96.6Very high96Very high58 Ų5853 Ų5327%0.26926%0.26SS..Hα-helixtrans-91.2-23.9178.5-55.9-54.3000112.8I309 L402 L403I309-H405 HydrophobicContact CB-CB 4.21Å; I309-H405 HydrophobicContact CG1-CB 4.09Å; I309-H405 HydrophobicContact CG2-CB 4.26Å; L402-H405 WeakPolarHBondContact O-CB 3.5Å; L402-H405 PolarHBondContact O-N 3.16Å; L403-H405 PolarHBondContact O-N 3.27Å; L403-H405 VanDerWaalsContact O-N 3.09Å
406I97.6Very high96Very high0 Ų056.6 Ų56.60%028%0.277CS..Hα-helixtrans-95.2-46.8-176.2-64.3-178.3000112.2I309 L391 L402 L403 P408 L409 L410 V428 I432I309-I406 HydrophobicContact CG2-CD1 4.43Å; I309-I406 HydrophobicContact CG2-CG1 3.51Å; L391-I406 HydrophobicContact CD1-CD1 3.93Å; L402-I406 HydrophobicContact CB-CD1 4.33Å; L402-I406 HydrophobicContact CD2-CD1 3.58Å; L402-I406 HydrophobicContact CG-CD1 3.62Å; L402-I406 HydrophobicContact CG-CG1 4.23Å; L402-I406 PolarHBondContact O-N 3.32Å; L403-I406 PolarHBondContact O-N 2.7Å; L403-I406 VanDerWaalsContact O-N 3.07Å; I406-P408 VanDerWaalsContact C-CD 3.42Å; I406-P408 VanDerWaalsContact C-N 3.33Å; I406-L409 WeakPolarHBondContact O-CA 3.44Å; I406-L409 WeakPolarHBondContact O-CB 3.48Å; I406-L409 PolarHBondContact O-N 3.32Å; I406-L410 HydrophobicContact CG2-CD1 3.62Å; I406-L410 HydrophobicContact CG2-CG 3.83Å; I406-L410 PolarHBondContact O-N 3.33Å; I406-V428 HydrophobicContact CG2-CG1 3.8Å; I406-I432 HydrophobicContact CD1-CG2 3.64Å; I406-I432 HydrophobicContact CG2-CD1 4.15Å
407L96.5Very high95.9Very high28 Ų2863 Ų6315%0.14731%0.305CS..Hα-helixtrans-55.3-37.9-174-68.8173.1000114.2L403 L409 L410 K411 M440 Y443L403-L407 HydrophobicContact CB-CD1 3.99Å; L403-L407 HydrophobicContact CB-CG 4.2Å; L403-L407 WeakPolarHBondContact O-CB 3.41Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.41Å; L403-L407 PolarHBondContact O-N 3.03Å; L407-L409 VanDerWaalsContact C-N 3.33Å; L407-L409 PolarHBondContact O-N 3.4Å; L407-L410 HydrophobicContact CD2-CD1 4.35Å; L407-K411 WeakPolarHBondContact O-CG 3.06Å; L407-K411 PolarHBondContact O-N 3.45Å; L407-M440 HydrophobicContact CD2-SD 4.02Å; L407-Y443 HydrophobicContact CD1-CE1 4.32Å; L407-Y443 HydrophobicContact CD1-CE2 3.74Å; L407-Y443 WeakPolarHBondContact CD1-OH 3.32Å; L407-Y443 HydrophobicContact CD2-CD2 4.38Å; L407-Y443 HydrophobicContact CD2-CE2 4.29Å
408P95.9Very high96Very high73 Ų7367.2 Ų67.247%0.47432%0.323SS..Hα-helixtrans-62.6-38.4174.3-23.135.3000113P404 I406P404-P408 WeakPolarHBondContact O-CD 3.39Å; P404-P408 WeakPolarHBondContact O-CG 3.29Å; I406-P408 VanDerWaalsContact C-CD 3.42Å; I406-P408 VanDerWaalsContact C-N 3.33Å
409L97.5Very high96Very high38 Ų3868.7 Ų68.720%0.19933%0.328CS..Hα-helixtrans-70-45.7179.3-57.4174.1000110.5I309 P310 V313 I406 L407 K411 E412 L413I309-L409 HydrophobicContact CG2-CD1 4.03Å; P310-L409 HydrophobicContact CB-CD1 4.35Å; P310-L409 HydrophobicContact CG-CD1 4.13Å; V313-L409 HydrophobicContact CB-CD1 4.23Å; V313-L409 HydrophobicContact CG1-CD1 4.28Å; V313-L409 HydrophobicContact CG2-CD1 4.03Å; I406-L409 WeakPolarHBondContact O-CA 3.44Å; I406-L409 WeakPolarHBondContact O-CB 3.48Å; I406-L409 PolarHBondContact O-N 3.32Å; L407-L409 VanDerWaalsContact C-N 3.33Å; L407-L409 PolarHBondContact O-N 3.4Å; L409-K411 PolarHBondContact O-N 3.04Å; L409-E412 PolarHBondContact O-N 3.07Å; L409-L413 HydrophobicContact CB-CD1 4.36Å; L409-L413 VanDerWaalsContact O-CG 3.29Å; L409-L413 WeakPolarHBondContact O-CG 3.37Å; L409-L413 PolarHBondContact O-N 3.29Å
410L96.3Very high96Very high5 Ų564 Ų643%0.02631%0.314CS..Hα-helixtrans-54.6-39.1178.9-78.8175.2000113.1I406 L407 E412 L413 L414 G425 V428 L429 I432I406-L410 HydrophobicContact CG2-CD1 3.62Å; I406-L410 HydrophobicContact CG2-CG 3.83Å; I406-L410 PolarHBondContact O-N 3.33Å; L407-L410 HydrophobicContact CD2-CD1 4.35Å; L410-E412 PolarHBondContact O-N 3.24Å; L410-L413 PolarHBondContact O-N 3.47Å; L410-L414 HydrophobicContact CB-CD1 4.18Å; L410-L414 HydrophobicContact CD2-CD1 4.29Å; L410-L414 HydrophobicContact CD2-CG 4.29Å; L410-L414 WeakPolarHBondContact O-CB 3.38Å; L410-L414 VanDerWaalsContact O-CG 3.29Å; L410-L414 WeakPolarHBondContact O-CG 3.3Å; L410-L414 PolarHBondContact O-N 3.06Å; L410-G425 VanDerWaalsContact CD2-O 3.28Å; L410-G425 WeakPolarHBondContact CD2-O 3.46Å; L410-V428 HydrophobicContact CD2-CB 3.94Å; L410-V428 HydrophobicContact CD2-CG1 3.64Å; L410-V428 HydrophobicContact CG-CG1 4.15Å; L410-L429 HydrophobicContact CD1-CD2 3.54Å; L410-L429 HydrophobicContact CD1-CG 4.29Å; L410-L429 HydrophobicContact CD2-CD2 4.08Å; L410-L429 HydrophobicContact CD2-CG 3.88Å; L410-L429 HydrophobicContact CG-CD2 4.44Å; L410-I432 HydrophobicContact CD1-CD1 4.32Å
411K91.2Very high96.1Very high152 Ų15262.3 Ų62.366%0.66131%0.305SS*.Hα-helixtrans-60.7-31.4176.9-73.4177.1-179.1-179.10113.3L407 L409L407-K411 WeakPolarHBondContact O-CG 3.06Å; L407-K411 PolarHBondContact O-N 3.45Å; L409-K411 PolarHBondContact O-N 3.04Å
412E93.9Very high96.2Very high147 Ų14758.2 Ų58.269%0.68729%0.285SS*.Hα-helixtrans-83.7-37.6177.4-63-176.7175.600111.3L409 L410L409-E412 PolarHBondContact O-N 3.07Å; L410-E412 PolarHBondContact O-N 3.24Å
413L97.7Very high96.3Very high16 Ų1658.2 Ų58.28%0.08429%0.285CS..Hα-helixtrans-74.6-53.9-174.7-61169.7000112.6V313 L409 L410 F415 H416 V421 K422V313-L413 HydrophobicContact CG1-CD1 3.45Å; V313-L413 VanDerWaalsContact CG1-CD1 3.45Å; L409-L413 HydrophobicContact CB-CD1 4.36Å; L409-L413 VanDerWaalsContact O-CG 3.29Å; L409-L413 WeakPolarHBondContact O-CG 3.37Å; L409-L413 PolarHBondContact O-N 3.29Å; L410-L413 PolarHBondContact O-N 3.47Å; L413-F415 PolarHBondContact O-N 3.5Å; L413-F415 VanDerWaalsContact O-N 3.11Å; L413-H416 WeakPolarHBondContact O-CB 3.43Å; L413-H416 PolarHBondContact O-N 3.22Å; L413-V421 HydrophobicContact CD2-CG1 3.43Å; L413-V421 VanDerWaalsContact CD2-CG1 3.43Å; L413-K422 VanDerWaalsContact O-CA 3.3Å; L413-K422 WeakPolarHBondContact O-CA 3.48Å
414L96.7Very high96.3Very high4 Ų457.8 Ų57.82%0.02128%0.283CS..THydrogen-bonded Turntrans-61.3-27.6-170.8-66170.3000113.6L410 K422 I426 L429 L447 H450L410-L414 HydrophobicContact CB-CD1 4.18Å; L410-L414 HydrophobicContact CD2-CD1 4.29Å; L410-L414 HydrophobicContact CD2-CG 4.29Å; L410-L414 WeakPolarHBondContact O-CB 3.38Å; L410-L414 VanDerWaalsContact O-CG 3.29Å; L410-L414 WeakPolarHBondContact O-CG 3.3Å; L410-L414 PolarHBondContact O-N 3.06Å; L414-K422 WeakPolarHBondContact O-CG 3.33Å; L414-I426 HydrophobicContact CD2-CG1 3.88Å; L414-L429 HydrophobicContact CD1-CD1 3.74Å; L414-L429 HydrophobicContact CD1-CG 4.31Å; L414-L429 HydrophobicContact CD2-CD1 3.58Å; L414-L429 HydrophobicContact CD2-CG 4.19Å; L414-L429 HydrophobicContact CG-CD1 4.3Å; L414-L447 HydrophobicContact CD1-CD2 3.81Å; L414-H450 PolarHBondContact O-NE2 3Å
415F93.5Very high96.4Very high112 Ų11253.7 Ų53.749%0.49126%0.257SS..THydrogen-bonded Turntrans-104.79.7-179-57-78.6000112.9L413 H450L413-F415 PolarHBondContact O-N 3.5Å; L413-F415 VanDerWaalsContact O-N 3.11Å; F415-H450 AromaticContact CD1-CE1 3.87Å; F415-H450 AromaticContact CE1-CE1 3.55Å; F415-H450 AromaticContact CE1-ND1 3.75Å; F415-H450 AromaticContact CE1-NE2 3.88Å
416H96Very high96.5Very high75 Ų7551 Ų5135%0.34724%0.244SC..  trans-68.6145.2-179.4-160.8-89.6000111.9L413 E418 V421 K422L413-H416 WeakPolarHBondContact O-CB 3.43Å; L413-H416 PolarHBondContact O-N 3.22Å; H416-E418 WeakPolarHBondContact ND1-CB 3.12Å; H416-E418 PolarHBondContact ND1-N 3.46Å; H416-E418 PolarHBondContact ND1-O 3.32Å; H416-V421 HydrophobicContact CB-CB 3.96Å; H416-V421 HydrophobicContact CB-CG1 3.71Å; H416-V421 WeakPolarHBondContact ND1-CB 3.2Å; H416-K422 WeakPolarHBondContact O-CE 3.46Å
417H95Very high96.5Very high175 Ų17551.6 Ų51.681%0.8125%0.247SC*.SBendtrans-75.4-36.6-179.2-65.2-54.8000113.2W419H417-W419 PolarHBondContact O-N 3.29Å
418E97Very high96.6Very high121 Ų12150.3 Ų50.357%0.56524%0.24SC*.SBendtrans-71.2124.9172.4-62.3-59.3148.300110.2H416 V420 V421 K422H416-E418 WeakPolarHBondContact ND1-CB 3.12Å; H416-E418 PolarHBondContact ND1-N 3.46Å; H416-E418 PolarHBondContact ND1-O 3.32Å; E418-V420 VanDerWaalsContact C-N 3.35Å; E418-V420 PolarHBondContact O-N 3.41Å; E418-V421 HydrophobicContact CB-CG2 4.16Å; E418-V421 PolarHBondContact O-N 3.36Å; E418-K422 PolarHBondContact O-N 3.02Å; E418-K422 VanDerWaalsContact O-N 3.13Å
419W95.9Very high96.7Very high34 Ų3446.9 Ų46.913%0.12922%0.218CC..Hα-helixtrans-65.1-37-17272.3-90.6000112.2Y318 I323 H417 V421 K422 E423 K459 L461 V462Y318-W419 HydrophobicContact CD2-CH2 4.39Å; Y318-W419 HydrophobicContact CD2-CZ3 4.2Å; I323-W419 HydrophobicContact CD1-CH2 4.04Å; I323-W419 HydrophobicContact CD1-CZ2 3.88Å; I323-W419 HydrophobicContact CG1-CH2 4.09Å; I323-W419 HydrophobicContact CG1-CZ2 4.3Å; H417-W419 PolarHBondContact O-N 3.29Å; W419-V421 VanDerWaalsContact C-N 3.27Å; W419-V421 PolarHBondContact O-N 3.27Å; W419-K422 PolarHBondContact O-N 3.29Å; W419-E423 HydrophobicContact CE3-CB 4.22Å; W419-E423 HydrophobicContact CE3-CG 4.44Å; W419-E423 HydrophobicContact CZ3-CG 4.36Å; W419-E423 WeakPolarHBondContact O-CB 3.11Å; W419-E423 PolarHBondContact O-N 2.82Å; W419-K459 HydrophobicContact CB-CB 4.33Å; W419-K459 HydrophobicContact CB-CG 3.73Å; W419-K459 HydrophobicContact CD2-CB 4.46Å; W419-K459 HydrophobicContact CD2-CD 4.49Å; W419-K459 HydrophobicContact CD2-CG 3.96Å; W419-K459 HydrophobicContact CG-CB 4.41Å; W419-K459 HydrophobicContact CG-CD 4.38Å; W419-K459 HydrophobicContact CG-CG 3.61Å; W419-L461 HydrophobicContact CE3-CB 4.5Å; W419-L461 HydrophobicContact CH2-CB 4.45Å; W419-L461 HydrophobicContact CH2-CD1 3.48Å; W419-L461 VanDerWaalsContact CH2-CD1 3.48Å; W419-L461 HydrophobicContact CZ3-CB 3.81Å; W419-L461 HydrophobicContact CZ3-CD1 3.69Å; W419-L461 HydrophobicContact CZ3-CG 4.39Å; W419-V462 HydrophobicContact CB-CG2 4.07Å; W419-V462 HydrophobicContact CE3-CG2 4.18Å
420V96.9Very high96.7Very high28 Ų2845 Ų4517%0.1721%0.209CC..Hα-helixtrans-59.9-39.9178.8-178.40000111.2K317 I323 E418 S424K317-V420 HydrophobicContact CB-CG1 4.11Å; I323-V420 HydrophobicContact CD1-CG2 4.06Å; E418-V420 VanDerWaalsContact C-N 3.35Å; E418-V420 PolarHBondContact O-N 3.41Å; V420-S424 WeakPolarHBondContact O-CB 3.31Å; V420-S424 PolarHBondContact O-N 3.43Å; V420-S424 PolarHBondContact O-OG 3.11Å
421V97.9Very high96.8Very high25 Ų2544.9 Ų44.915%0.15221%0.208CC..Hα-helixtrans-71.4-44.5179-177.70000110.3L413 H416 E418 W419 S424 G425L413-V421 HydrophobicContact CD2-CG1 3.43Å; L413-V421 VanDerWaalsContact CD2-CG1 3.43Å; H416-V421 HydrophobicContact CB-CB 3.96Å; H416-V421 HydrophobicContact CB-CG1 3.71Å; H416-V421 WeakPolarHBondContact ND1-CB 3.2Å; E418-V421 HydrophobicContact CB-CG2 4.16Å; E418-V421 PolarHBondContact O-N 3.36Å; W419-V421 VanDerWaalsContact C-N 3.27Å; W419-V421 PolarHBondContact O-N 3.27Å; V421-S424 PolarHBondContact O-N 2.83Å; V421-S424 PolarHBondContact O-OG 3.27Å; V421-G425 PolarHBondContact O-N 3.09Å; V421-G425 VanDerWaalsContact O-N 3.12Å
422K98Very high97.1Very high37 Ų3737.7 Ų37.716%0.16118%0.177CC..Hα-helixtrans-58-52175-177.2-167.4-58.5-177.10111.8L413 L414 H416 E418 W419 S424 G425 I426 D457 V462L413-K422 VanDerWaalsContact O-CA 3.3Å; L413-K422 WeakPolarHBondContact O-CA 3.48Å; L414-K422 WeakPolarHBondContact O-CG 3.33Å; H416-K422 WeakPolarHBondContact O-CE 3.46Å; E418-K422 PolarHBondContact O-N 3.02Å; E418-K422 VanDerWaalsContact O-N 3.13Å; W419-K422 PolarHBondContact O-N 3.29Å; K422-S424 VanDerWaalsContact C-N 3.33Å; K422-S424 PolarHBondContact O-N 3.07Å; K422-G425 WeakPolarHBondContact O-CA 3.33Å; K422-G425 PolarHBondContact O-N 3.15Å; K422-I426 HydrophobicContact CG-CD1 4.25Å; K422-I426 WeakPolarHBondContact O-CG1 3.3Å; K422-I426 PolarHBondContact O-N 3.2Å; K422-I426 VanDerWaalsContact O-N 3.08Å; K422-D457 IonicContact NZ-OD2 2.85Å; K422-D457 PolarHBondContact NZ-OD2 3.45Å; K422-V462 HydrophobicContact CD-CG1 4.21Å
423E97.6Very high97.3Very high0 Ų030.7 Ų30.70%014%0.144CC..Hα-helixtrans-54.5-47.8178.8-169.9-68.7144.700110.4Y318 R384 W419 G425 I426 L427 V462 I465Y318-E423 HydrophobicContact CE2-CG 4.27Å; R384-E423 IonicContact CZ-OE1 2.7Å; R384-E423 IonicContact CZ-OE2 3.79Å; R384-E423 VanDerWaalsContact CZ-OE2 3.31Å; R384-E423 IonicContact NH1-OE1 3.48Å; R384-E423 IonicContact NH1-OE2 2.8Å; R384-E423 PolarHBondContact NH1-OE2 2.8Å; R384-E423 IonicContact NH2-OE1 3.96Å; R384-E423 PolarHBondContact NH2-OE1 3.44Å; R384-E423 IonicContact NH2-OE2 2.76Å; R384-E423 PolarHBondContact NH2-OE2 3.45Å; W419-E423 HydrophobicContact CE3-CB 4.22Å; W419-E423 HydrophobicContact CE3-CG 4.44Å; W419-E423 HydrophobicContact CZ3-CG 4.36Å; W419-E423 WeakPolarHBondContact O-CB 3.11Å; W419-E423 PolarHBondContact O-N 2.82Å; E423-G425 VanDerWaalsContact C-N 3.28Å; E423-G425 PolarHBondContact O-N 3.26Å; E423-I426 WeakPolarHBondContact O-CB 3.39Å; E423-I426 PolarHBondContact O-N 2.95Å; E423-L427 PolarHBondContact O-N 3.13Å; E423-V462 HydrophobicContact CB-CG2 3.99Å; E423-V462 HydrophobicContact CG-CG2 4.32Å; E423-I465 HydrophobicContact CG-CG2 3.72Å; E423-I465 WeakPolarHBondContact OE1-CB 3.34Å; E423-I465 WeakPolarHBondContact OE1-CG1 2.82Å; E423-I465 WeakPolarHBondContact OE1-CG2 3.42Å
424S98Very high97Very high0 Ų035.1 Ų35.10%016%0.164CC..Hα-helixtrans-61.6-34.1176.170.20000113.2V420 V421 K422 I426 L427 V428V420-S424 WeakPolarHBondContact O-CB 3.31Å; V420-S424 PolarHBondContact O-N 3.43Å; V420-S424 PolarHBondContact O-OG 3.11Å; V421-S424 PolarHBondContact O-N 2.83Å; V421-S424 PolarHBondContact O-OG 3.27Å; K422-S424 VanDerWaalsContact C-N 3.33Å; K422-S424 PolarHBondContact O-N 3.07Å; S424-I426 VanDerWaalsContact C-N 3.32Å; S424-L427 PolarHBondContact O-N 3.12Å; S424-V428 VanDerWaalsContact O-CG2 3.27Å; S424-V428 WeakPolarHBondContact O-CG2 3.43Å; S424-V428 PolarHBondContact O-N 3.47Å
425G98.4Very high97Very high0 Ų035 Ų350%017%0.165CC..Hα-helixtrans-67.2-33.4174.400000113.1L410 V421 K422 E423 V428 L429L410-G425 VanDerWaalsContact CD2-O 3.28Å; L410-G425 WeakPolarHBondContact CD2-O 3.46Å; V421-G425 PolarHBondContact O-N 3.09Å; V421-G425 VanDerWaalsContact O-N 3.12Å; K422-G425 WeakPolarHBondContact O-CA 3.33Å; K422-G425 PolarHBondContact O-N 3.15Å; E423-G425 VanDerWaalsContact C-N 3.28Å; E423-G425 PolarHBondContact O-N 3.26Å; G425-V428 PolarHBondContact O-N 3.43Å; G425-L429 PolarHBondContact O-N 2.82Å
426I98.6Very high97.2Very high0 Ų029.7 Ų29.70%014%0.141CC..Hα-helixtrans-70.9-44.7175.4-63.1170.1000109.5L414 K422 E423 S424 V428 L429 G430 L451 C454 V462 I465 T466 T469L414-I426 HydrophobicContact CD2-CG1 3.88Å; K422-I426 HydrophobicContact CG-CD1 4.25Å; K422-I426 WeakPolarHBondContact O-CG1 3.3Å; K422-I426 PolarHBondContact O-N 3.2Å; K422-I426 VanDerWaalsContact O-N 3.08Å; E423-I426 WeakPolarHBondContact O-CB 3.39Å; E423-I426 PolarHBondContact O-N 2.95Å; S424-I426 VanDerWaalsContact C-N 3.32Å; I426-V428 VanDerWaalsContact C-N 3.29Å; I426-V428 PolarHBondContact O-N 2.79Å; I426-L429 WeakPolarHBondContact O-CB 3.24Å; I426-L429 PolarHBondContact O-N 3.46Å; I426-G430 PolarHBondContact O-N 3.15Å; I426-G430 VanDerWaalsContact O-N 3.1Å; I426-L451 HydrophobicContact CB-CD2 4.5Å; I426-L451 HydrophobicContact CD1-CD2 4.47Å; I426-L451 HydrophobicContact CG1-CD2 4.02Å; I426-L451 HydrophobicContact CG2-CD2 3.91Å; I426-C454 HydrophobicContact CD1-CB 4.22Å; I426-V462 HydrophobicContact CD1-CG1 3.97Å; I426-I465 HydrophobicContact CB-CG2 4.08Å; I426-I465 HydrophobicContact CG2-CG1 4.33Å; I426-I465 HydrophobicContact CG2-CG2 3.85Å; I426-T466 WeakPolarHBondContact CD1-OG1 3.26Å; I426-T469 HydrophobicContact CG2-CG2 4.07Å; I426-T469 VanDerWaalsContact CG2-OG1 3.29Å; I426-T469 WeakPolarHBondContact CG2-OG1 3.47Å; I426-T469 PolarHBondContact O-OG1 2.93Å; I426-T469 VanDerWaalsContact O-OG1 3.14Å
427L98.4Very high97.2Very high14 Ų1428.5 Ų28.57%0.07314%0.136CC..Hα-helixtrans-56.3-42.4172.4178.464.1000112M316 R384 A388 E423 S424 L429 G430 A431 I465 W468M316-L427 HydrophobicContact CB-CD2 4.12Å; M316-L427 HydrophobicContact CE-CB 4.17Å; M316-L427 HydrophobicContact CE-CD1 4.49Å; M316-L427 HydrophobicContact CE-CD2 3.72Å; M316-L427 HydrophobicContact CE-CG 3.45Å; M316-L427 VanDerWaalsContact CE-CG 3.45Å; M316-L427 HydrophobicContact CG-CD2 4.45Å; R384-L427 HydrophobicContact CG-CD2 4.44Å; A388-L427 HydrophobicContact CB-CD1 4.4Å; A388-L427 HydrophobicContact CB-CD2 4.13Å; A388-L427 HydrophobicContact CB-CG 4.41Å; E423-L427 PolarHBondContact O-N 3.13Å; S424-L427 PolarHBondContact O-N 3.12Å; L427-L429 VanDerWaalsContact C-N 3.31Å; L427-L429 PolarHBondContact O-N 3.09Å; L427-G430 PolarHBondContact O-N 2.91Å; L427-A431 WeakPolarHBondContact O-CB 3.34Å; L427-A431 PolarHBondContact O-N 3.16Å; L427-I465 HydrophobicContact CB-CD1 4.17Å; L427-I465 HydrophobicContact CB-CG1 3.99Å; L427-I465 HydrophobicContact CD1-CD1 3.69Å; L427-I465 HydrophobicContact CD1-CG1 4.46Å; L427-I465 HydrophobicContact CG-CD1 4.47Å; L427-W468 HydrophobicContact CD1-CE3 4.47Å; L427-W468 HydrophobicContact CD1-CH2 4.26Å; L427-W468 HydrophobicContact CD1-CZ3 3.82Å
428V98.6Very high97.2Very high0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-59.2-40.6174.4170.30000111.9V313 M316 L391 I406 L410 S424 G425 I426 G430 I432V313-V428 HydrophobicContact CB-CG2 4.41Å; V313-V428 HydrophobicContact CG1-CG2 4.13Å; V313-V428 HydrophobicContact CG2-CG1 4.43Å; V313-V428 HydrophobicContact CG2-CG2 3.92Å; M316-V428 HydrophobicContact CE-CB 4.32Å; M316-V428 HydrophobicContact CE-CG2 3.64Å; M316-V428 HydrophobicContact SD-CG2 3.63Å; L391-V428 HydrophobicContact CD2-CB 4.45Å; L391-V428 HydrophobicContact CD2-CG1 3.99Å; L391-V428 HydrophobicContact CD2-CG2 4.18Å; I406-V428 HydrophobicContact CG2-CG1 3.8Å; L410-V428 HydrophobicContact CD2-CB 3.94Å; L410-V428 HydrophobicContact CD2-CG1 3.64Å; L410-V428 HydrophobicContact CG-CG1 4.15Å; S424-V428 VanDerWaalsContact O-CG2 3.27Å; S424-V428 WeakPolarHBondContact O-CG2 3.43Å; S424-V428 PolarHBondContact O-N 3.47Å; G425-V428 PolarHBondContact O-N 3.43Å; I426-V428 VanDerWaalsContact C-N 3.29Å; I426-V428 PolarHBondContact O-N 2.79Å; V428-G430 VanDerWaalsContact C-N 3.34Å; V428-I432 WeakPolarHBondContact O-CG1 3.14Å; V428-I432 WeakPolarHBondContact O-CG2 3.48Å; V428-I432 PolarHBondContact O-N 2.9Å
429L98.1Very high97.2Very high1 Ų121.6 Ų21.61%0.00511%0.109CC..Hα-helixtrans-63.5-39.7176.6-79.4178.1000112.4L410 L414 G425 I426 L427 I432 A433 M440 L447 L451 T469 Y473L410-L429 HydrophobicContact CD1-CD2 3.54Å; L410-L429 HydrophobicContact CD1-CG 4.29Å; L410-L429 HydrophobicContact CD2-CD2 4.08Å; L410-L429 HydrophobicContact CD2-CG 3.88Å; L410-L429 HydrophobicContact CG-CD2 4.44Å; L414-L429 HydrophobicContact CD1-CD1 3.74Å; L414-L429 HydrophobicContact CD1-CG 4.31Å; L414-L429 HydrophobicContact CD2-CD1 3.58Å; L414-L429 HydrophobicContact CD2-CG 4.19Å; L414-L429 HydrophobicContact CG-CD1 4.3Å; G425-L429 PolarHBondContact O-N 2.82Å; I426-L429 WeakPolarHBondContact O-CB 3.24Å; I426-L429 PolarHBondContact O-N 3.46Å; L427-L429 VanDerWaalsContact C-N 3.31Å; L427-L429 PolarHBondContact O-N 3.09Å; L429-I432 WeakPolarHBondContact O-CG1 3.38Å; L429-A433 PolarHBondContact O-N 3.24Å; L429-M440 HydrophobicContact CD2-CE 3.7Å; L429-L447 HydrophobicContact CD1-CD2 4.39Å; L429-L447 HydrophobicContact CD2-CD1 4.03Å; L429-L451 HydrophobicContact CD1-CD1 4.17Å; L429-L451 HydrophobicContact CD1-CD2 4.16Å; L429-L451 HydrophobicContact CD1-CG 4.44Å; L429-T469 HydrophobicContact CB-CG2 3.92Å; L429-Y473 WeakPolarHBondContact O-CE2 3.31Å; L429-Y473 PolarHBondContact O-OH 2.96Å
430G98Very high97.3Very high0 Ų020 Ų200%010%0.103CC..Hα-helixtrans-69.9-45.4177.800000112.1I426 L427 V428 I432 A433I426-G430 PolarHBondContact O-N 3.15Å; I426-G430 VanDerWaalsContact O-N 3.1Å; L427-G430 PolarHBondContact O-N 2.91Å; V428-G430 VanDerWaalsContact C-N 3.34Å; G430-I432 PolarHBondContact O-N 3.34Å; G430-A433 WeakPolarHBondContact O-CB 3.5Å; G430-A433 PolarHBondContact O-N 2.88Å
431A97.8Very high97.3Very high2 Ų221.4 Ų21.42%0.01711%0.109CC..Hα-helixtrans-59.9-30.9179.900000113.4M316 D392 L427M316-A431 HydrophobicContact CE-CB 4.17Å; D392-A431 VanDerWaalsContact CA-O 3.31Å; D392-A431 WeakPolarHBondContact CA-O 3.36Å; D392-A431 HydrophobicContact CB-CB 4.48Å; L427-A431 WeakPolarHBondContact O-CB 3.34Å; L427-A431 PolarHBondContact O-N 3.16Å
432I98Very high97.3Very high0 Ų024.8 Ų24.80%013%0.131CC..THydrogen-bonded Turntrans-91.4-5.417970177.3000114L391 A395 L403 I406 L410 V428 L429 G430 E434 G435 C436 M440L391-I432 HydrophobicContact CD2-CG2 4.19Å; L391-I432 HydrophobicContact CG-CG2 4.15Å; A395-I432 HydrophobicContact CB-CB 4.18Å; A395-I432 HydrophobicContact CB-CG2 4.21Å; L403-I432 HydrophobicContact CD2-CD1 4.14Å; I406-I432 HydrophobicContact CD1-CG2 3.64Å; I406-I432 HydrophobicContact CG2-CD1 4.15Å; L410-I432 HydrophobicContact CD1-CD1 4.32Å; V428-I432 WeakPolarHBondContact O-CG1 3.14Å; V428-I432 WeakPolarHBondContact O-CG2 3.48Å; V428-I432 PolarHBondContact O-N 2.9Å; L429-I432 WeakPolarHBondContact O-CG1 3.38Å; G430-I432 PolarHBondContact O-N 3.34Å; I432-E434 PolarHBondContact O-N 2.78Å; I432-G435 PolarHBondContact O-N 3.26Å; I432-C436 HydrophobicContact CB-CB 4.37Å; I432-C436 WeakPolarHBondContact O-CB 3.44Å; I432-C436 PolarHBondContact O-N 3.38Å; I432-M440 HydrophobicContact CD1-CE 4.44Å; I432-M440 HydrophobicContact CD1-CG 4.35Å; I432-M440 HydrophobicContact CD1-SD 4.03Å
433A97.3Very high97.2Very high0 Ų027.7 Ų27.70%014%0.142CC..THydrogen-bonded Turntrans-57.3-51.9-165.100000111.8L429 G430 M437 R472 Y473L429-A433 PolarHBondContact O-N 3.24Å; G430-A433 WeakPolarHBondContact O-CB 3.5Å; G430-A433 PolarHBondContact O-N 2.88Å; A433-M437 VanDerWaalsContact O-CA 3.25Å; A433-M437 WeakPolarHBondContact O-CA 3.48Å; A433-M437 VanDerWaalsContact O-CB 3.26Å; A433-M437 WeakPolarHBondContact O-CB 3.44Å; A433-M437 PolarHBondContact O-N 3.08Å; A433-R472 HydrophobicContact CB-CB 3.73Å; A433-Y473 WeakPolarHBondContact CA-OH 3.41Å; A433-Y473 HydrophobicContact CB-CD1 4.46Å; A433-Y473 HydrophobicContact CB-CD2 4.25Å; A433-Y473 HydrophobicContact CB-CE1 3.89Å; A433-Y473 HydrophobicContact CB-CE2 3.64Å; A433-Y473 VanDerWaalsContact CB-CZ 3.44Å
434E92.3Very high97.2Very high109 Ų10927.7 Ų27.751%0.50914%0.142SC..THydrogen-bonded Turntrans-69.2-50.5-178.3-170.6-179.2159.200112I432 C436 R472I432-E434 PolarHBondContact O-N 2.78Å; E434-C436 VanDerWaalsContact C-N 3.34Å; E434-C436 PolarHBondContact O-N 3.2Å; E434-R472 IonicContact OE2-CZ 3.69Å; E434-R472 IonicContact OE2-NH2 3.31Å; E434-R472 PolarHBondContact OE2-NH2 3.23Å
435G95.4Very high97.2Very high3 Ų330.7 Ų30.73%0.03116%0.161CC..THydrogen-bonded Turntrans-62.4-36.3-178.300000114.3A395 R399 I432A395-G435 CarbonylContact O-C 3.57Å; A395-G435 WeakPolarHBondContact O-CA 3.25Å; R399-G435 WeakPolarHBondContact CA-O 3.42Å; R399-G435 WeakPolarHBondContact CD-O 3.11Å; I432-G435 PolarHBondContact O-N 3.26Å
436C97.7Very high97.1Very high0 Ų037.6 Ų37.60%019%0.194CC..THydrogen-bonded Turntrans-117.417.4-171.7-58.60000114.3R399 L403 I432 E434 Q438 G439 M440R399-C436 PolarHBondContact O-SG 3.3Å; L403-C436 HydrophobicContact CD1-CB 4.39Å; L403-C436 HydrophobicContact CD2-CB 3.77Å; L403-C436 HydrophobicContact CG-CB 4.14Å; I432-C436 HydrophobicContact CB-CB 4.37Å; I432-C436 WeakPolarHBondContact O-CB 3.44Å; I432-C436 PolarHBondContact O-N 3.38Å; E434-C436 VanDerWaalsContact C-N 3.34Å; E434-C436 PolarHBondContact O-N 3.2Å; C436-Q438 VanDerWaalsContact C-N 3.3Å; C436-Q438 PolarHBondContact O-N 3.11Å; C436-G439 PolarHBondContact O-N 3.1Å; C436-M440 HydrophobicContact CB-CG 4.25Å; C436-M440 WeakPolarHBondContact O-CB 3.4Å; C436-M440 WeakPolarHBondContact O-CG 3.39Å; C436-M440 PolarHBondContact O-N 3.08Å
437M95.8Very high97Very high49 Ų4938.7 Ų38.724%0.24120%0.199CC..Hα-helixtrans-50.4-48.5-173.1-175.258.97400112.5A433 G439 M440 I441 L444 Y473 W476A433-M437 VanDerWaalsContact O-CA 3.25Å; A433-M437 WeakPolarHBondContact O-CA 3.48Å; A433-M437 VanDerWaalsContact O-CB 3.26Å; A433-M437 WeakPolarHBondContact O-CB 3.44Å; A433-M437 PolarHBondContact O-N 3.08Å; M437-G439 PolarHBondContact O-N 3.11Å; M437-M440 PolarHBondContact O-N 3.38Å; M437-M440 VanDerWaalsContact O-N 3.08Å; M437-I441 WeakPolarHBondContact O-CG1 3.46Å; M437-I441 PolarHBondContact O-N 3.49Å; M437-I441 VanDerWaalsContact O-N 3.08Å; M437-L444 HydrophobicContact SD-CD1 4.21Å; M437-Y473 HydrophobicContact CE-CD1 3.63Å; M437-Y473 HydrophobicContact CE-CE1 3.95Å; M437-Y473 HydrophobicContact SD-CD1 3.81Å; M437-Y473 HydrophobicContact SD-CE1 3.97Å; M437-W476 HydrophobicContact SD-CB 4.43Å
438Q95.7Very high97Very high135 Ų13538 Ų3863%0.63120%0.196SC*.Hα-helixtrans-62.4-41.5-174.3-174.656.864.500112.9C436C436-Q438 VanDerWaalsContact C-N 3.3Å; C436-Q438 PolarHBondContact O-N 3.11Å
439G97.1Very high97Very high16 Ų1641 Ų4117%0.16522%0.215CC..Hα-helixtrans-77.6-19.7175.800000113.8D400 L403 C436 M437 P442 Y443D400-G439 VanDerWaalsContact CG-CA 3.49Å; D400-G439 VanDerWaalsContact CG-N 3.27Å; D400-G439 VanDerWaalsContact OD1-CA 3.32Å; D400-G439 WeakPolarHBondContact OD1-CA 3.41Å; D400-G439 PolarHBondContact OD1-N 3.37Å; D400-G439 PolarHBondContact OD2-N 2.93Å; L403-G439 VanDerWaalsContact CD1-C 3.46Å; C436-G439 PolarHBondContact O-N 3.1Å; M437-G439 PolarHBondContact O-N 3.11Å; G439-P442 WeakPolarHBondContact O-CD 3.48Å; G439-Y443 WeakPolarHBondContact O-CE2 3.4Å
440M97.4Very high97Very high0 Ų042.4 Ų42.40%022%0.222CC..Hα-helixtrans-80.8-28.6176-74.8-58.1-66.300113.6L403 L407 L429 I432 C436 M437 P442 Y443 L444 L447L403-M440 HydrophobicContact CD1-SD 4.47Å; L403-M440 HydrophobicContact CD2-CG 4.06Å; L403-M440 HydrophobicContact CD2-SD 3.6Å; L403-M440 VanDerWaalsContact CD2-SD 3.6Å; L407-M440 HydrophobicContact CD2-SD 4.02Å; L429-M440 HydrophobicContact CD2-CE 3.7Å; I432-M440 HydrophobicContact CD1-CE 4.44Å; I432-M440 HydrophobicContact CD1-CG 4.35Å; I432-M440 HydrophobicContact CD1-SD 4.03Å; C436-M440 HydrophobicContact CB-CG 4.25Å; C436-M440 WeakPolarHBondContact O-CB 3.4Å; C436-M440 WeakPolarHBondContact O-CG 3.39Å; C436-M440 PolarHBondContact O-N 3.08Å; M437-M440 PolarHBondContact O-N 3.38Å; M437-M440 VanDerWaalsContact O-N 3.08Å; M440-P442 VanDerWaalsContact C-N 3.3Å; M440-P442 VanDerWaalsContact O-N 3.07Å; M440-Y443 WeakPolarHBondContact O-CA 3.41Å; M440-Y443 WeakPolarHBondContact O-CB 3.14Å; M440-Y443 PolarHBondContact O-N 3.45Å; M440-Y443 HydrophobicContact SD-CD2 4.39Å; M440-L444 HydrophobicContact CB-CD2 4.4Å; M440-L444 WeakPolarHBondContact O-CG 3.36Å; M440-L444 PolarHBondContact O-N 2.96Å; M440-L447 HydrophobicContact CE-CD1 3.43Å; M440-L447 VanDerWaalsContact CE-CD1 3.43Å
441I97.6Very high97Very high59 Ų5942.4 Ų42.430%0.30322%0.222SC..THydrogen-bonded Turntrans-42.4-45.3179.9-74.4166.9000114.4M437 Y443 L444 P445M437-I441 WeakPolarHBondContact O-CG1 3.46Å; M437-I441 PolarHBondContact O-N 3.49Å; M437-I441 VanDerWaalsContact O-N 3.08Å; I441-Y443 PolarHBondContact O-N 3.1Å; I441-Y443 VanDerWaalsContact O-N 3.16Å; I441-L444 HydrophobicContact CG1-CD1 4.39Å; I441-L444 PolarHBondContact O-N 2.87Å; I441-P445 WeakPolarHBondContact O-CD 3.32Å
442P97.6Very high97Very high95 Ų9543.1 Ų43.162%0.61723%0.225SC*.THydrogen-bonded Turntrans-62.2-21.4178.9-23.935.7000115G439 M440G439-P442 WeakPolarHBondContact O-CD 3.48Å; M440-P442 VanDerWaalsContact C-N 3.3Å; M440-P442 VanDerWaalsContact O-N 3.07Å
443Y96.8Very high97Very high98 Ų9850 Ų5038%0.38426%0.257SS..THydrogen-bonded Turntrans-99.1-24.9-177.7-54.2-80.9000112.8L407 G439 M440 I441 P445 E446 L447L407-Y443 HydrophobicContact CD1-CE1 4.32Å; L407-Y443 HydrophobicContact CD1-CE2 3.74Å; L407-Y443 WeakPolarHBondContact CD1-OH 3.32Å; L407-Y443 HydrophobicContact CD2-CD2 4.38Å; L407-Y443 HydrophobicContact CD2-CE2 4.29Å; G439-Y443 WeakPolarHBondContact O-CE2 3.4Å; M440-Y443 WeakPolarHBondContact O-CA 3.41Å; M440-Y443 WeakPolarHBondContact O-CB 3.14Å; M440-Y443 PolarHBondContact O-N 3.45Å; M440-Y443 HydrophobicContact SD-CD2 4.39Å; I441-Y443 PolarHBondContact O-N 3.1Å; I441-Y443 VanDerWaalsContact O-N 3.16Å; Y443-P445 VanDerWaalsContact C-N 3.32Å; Y443-E446 PolarHBondContact O-N 3.2Å; Y443-L447 WeakPolarHBondContact O-CG 3.32Å; Y443-L447 PolarHBondContact O-N 2.99Å
444L97.5Very high97.1Very high1 Ų150.4 Ų50.41%0.00526%0.26CS..Hα-helixtrans-54.2-36.1-178.9-61.3-177.1000114.6M437 M440 I441 E446 L447 I448 Y473 W476M437-L444 HydrophobicContact SD-CD1 4.21Å; M440-L444 HydrophobicContact CB-CD2 4.4Å; M440-L444 WeakPolarHBondContact O-CG 3.36Å; M440-L444 PolarHBondContact O-N 2.96Å; I441-L444 HydrophobicContact CG1-CD1 4.39Å; I441-L444 PolarHBondContact O-N 2.87Å; L444-E446 PolarHBondContact O-N 3.28Å; L444-E446 VanDerWaalsContact O-N 3.12Å; L444-L447 PolarHBondContact O-N 2.93Å; L444-I448 HydrophobicContact CB-CG1 4.15Å; L444-I448 HydrophobicContact CD2-CD1 4.46Å; L444-I448 HydrophobicContact CD2-CG1 4.39Å; L444-I448 WeakPolarHBondContact O-CB 3.46Å; L444-I448 WeakPolarHBondContact O-CG1 3.47Å; L444-I448 PolarHBondContact O-N 2.83Å; L444-Y473 HydrophobicContact CD1-CD1 3.96Å; L444-Y473 HydrophobicContact CD1-CE1 4.3Å; L444-Y473 HydrophobicContact CD2-CD1 3.69Å; L444-Y473 HydrophobicContact CD2-CE1 3.59Å; L444-Y473 HydrophobicContact CD2-CG 4.41Å; L444-W476 HydrophobicContact CB-CD2 4.03Å; L444-W476 HydrophobicContact CB-CE3 4.07Å; L444-W476 HydrophobicContact CB-CH2 3.71Å; L444-W476 HydrophobicContact CB-CZ2 3.65Å; L444-W476 HydrophobicContact CB-CZ3 3.94Å; L444-W476 HydrophobicContact CD1-CB 4.09Å; L444-W476 HydrophobicContact CD1-CD2 3.44Å; L444-W476 VanDerWaalsContact CD1-CD2 3.44Å; L444-W476 HydrophobicContact CD1-CE3 4.02Å; L444-W476 HydrophobicContact CD1-CG 3.45Å; L444-W476 VanDerWaalsContact CD1-CG 3.45Å; L444-W476 HydrophobicContact CD1-CZ2 4.4Å; L444-W476 HydrophobicContact CG-CD2 4.37Å
445P97.8Very high97.4Very high63 Ų6345.2 Ų45.241%0.40924%0.236SC..Hα-helixtrans-57.6-26.5175.5-29.636.9000115I441 Y443 P449 W476 Y485I441-P445 WeakPolarHBondContact O-CD 3.32Å; Y443-P445 VanDerWaalsContact C-N 3.32Å; P445-P449 WeakPolarHBondContact O-CD 3.41Å; P445-P449 WeakPolarHBondContact O-CG 3.42Å; P445-W476 HydrophobicContact CG-CH2 4.47Å; P445-W476 HydrophobicContact CG-CZ2 4.34Å; P445-Y485 WeakPolarHBondContact CA-OH 3.41Å
446E96Very high97.5Very high145 Ų14548.4 Ų48.468%0.67826%0.257SS*.Hα-helixtrans-95.8-40.8174.5-175177177.800111.6Y443 L444 H450Y443-E446 PolarHBondContact O-N 3.2Å; L444-E446 PolarHBondContact O-N 3.28Å; L444-E446 VanDerWaalsContact O-N 3.12Å; E446-H450 PolarHBondContact O-N 3.38Å
447L97Very high97.5Very high23 Ų2349.5 Ų49.512%0.1226%0.263CS..Hα-helixtrans-69.9-43.1-175.3-68174000113.2L414 L429 M440 Y443 L444 H450 L451L414-L447 HydrophobicContact CD1-CD2 3.81Å; L429-L447 HydrophobicContact CD1-CD2 4.39Å; L429-L447 HydrophobicContact CD2-CD1 4.03Å; M440-L447 HydrophobicContact CE-CD1 3.43Å; M440-L447 VanDerWaalsContact CE-CD1 3.43Å; Y443-L447 WeakPolarHBondContact O-CG 3.32Å; Y443-L447 PolarHBondContact O-N 2.99Å; L444-L447 PolarHBondContact O-N 2.93Å; L447-H450 WeakPolarHBondContact O-CB 3.27Å; L447-H450 PolarHBondContact O-N 3.03Å; L447-H450 VanDerWaalsContact O-N 3.16Å; L447-L451 WeakPolarHBondContact O-CG 3.45Å; L447-L451 PolarHBondContact O-N 3.34Å
448I98.2Very high97.4Very high0 Ų054.8 Ų54.80%029%0.285CS..Hα-helixtrans-63.4-48.6-177.2-64.8-63.5000111.5L444 H450 L451 I452 L470 Y473 W476 V477 Y485L444-I448 HydrophobicContact CB-CG1 4.15Å; L444-I448 HydrophobicContact CD2-CD1 4.46Å; L444-I448 HydrophobicContact CD2-CG1 4.39Å; L444-I448 WeakPolarHBondContact O-CB 3.46Å; L444-I448 WeakPolarHBondContact O-CG1 3.47Å; L444-I448 PolarHBondContact O-N 2.83Å; I448-H450 PolarHBondContact O-N 2.92Å; I448-L451 HydrophobicContact CD1-CD1 4.45Å; I448-L451 PolarHBondContact O-N 2.89Å; I448-I452 HydrophobicContact CG2-CD1 3.79Å; I448-I452 HydrophobicContact CG2-CG1 4.36Å; I448-I452 VanDerWaalsContact O-CG1 3.28Å; I448-I452 WeakPolarHBondContact O-CG1 3.38Å; I448-I452 PolarHBondContact O-N 3.16Å; I448-L470 HydrophobicContact CD1-CD2 4.04Å; I448-L470 HydrophobicContact CG2-CD2 4.45Å; I448-Y473 HydrophobicContact CD1-CG 4.19Å; I448-W476 HydrophobicContact CB-CZ3 4.19Å; I448-W476 HydrophobicContact CG1-CE3 3.97Å; I448-W476 HydrophobicContact CG1-CZ3 3.65Å; I448-V477 HydrophobicContact CD1-CG2 4.37Å; I448-V477 HydrophobicContact CG2-CG2 4.06Å; I448-Y485 HydrophobicContact CB-CD1 4.37Å; I448-Y485 HydrophobicContact CG2-CD1 3.96Å
449P98Very high97.5Very high62 Ų6249.9 Ų49.940%0.40326%0.261SS..Hα-helixtrans-58.4-35.4173.1-26.936.5000113.8P445 Q453 Y485P445-P449 WeakPolarHBondContact O-CD 3.41Å; P445-P449 WeakPolarHBondContact O-CG 3.42Å; P449-Q453 PolarHBondContact O-N 3.31Å; P449-Q453 VanDerWaalsContact O-N 3.09Å; P449-Y485 HydrophobicContact CG-CD1 4.48Å; P449-Y485 HydrophobicContact CG-CE1 4.01Å
450H97.7Very high97.5Very high30 Ų3049.3 Ų49.314%0.13926%0.255CS..Hα-helixtrans-66.8-45.6175.9176.164.1000112.1L414 F415 E446 L447 I448 Q453 C454L414-H450 PolarHBondContact O-NE2 3Å; F415-H450 AromaticContact CD1-CE1 3.87Å; F415-H450 AromaticContact CE1-CE1 3.55Å; F415-H450 AromaticContact CE1-ND1 3.75Å; F415-H450 AromaticContact CE1-NE2 3.88Å; E446-H450 PolarHBondContact O-N 3.38Å; L447-H450 WeakPolarHBondContact O-CB 3.27Å; L447-H450 PolarHBondContact O-N 3.03Å; L447-H450 VanDerWaalsContact O-N 3.16Å; I448-H450 PolarHBondContact O-N 2.92Å; H450-Q453 WeakPolarHBondContact O-CA 3.33Å; H450-Q453 VanDerWaalsContact O-CB 3.31Å; H450-Q453 WeakPolarHBondContact O-CB 3.32Å; H450-Q453 PolarHBondContact O-N 2.89Å; H450-Q453 VanDerWaalsContact O-N 3.12Å; H450-C454 PolarHBondContact O-N 3.16Å
451L98.4Very high97.4Very high1 Ų149.7 Ų49.71%0.00526%0.257CS..Hα-helixtrans-62.8-42.9175.3-71.3173.5000111.3I426 L429 L447 I448 Q453 C454 L455 T466 T469 L470I426-L451 HydrophobicContact CB-CD2 4.5Å; I426-L451 HydrophobicContact CD1-CD2 4.47Å; I426-L451 HydrophobicContact CG1-CD2 4.02Å; I426-L451 HydrophobicContact CG2-CD2 3.91Å; L429-L451 HydrophobicContact CD1-CD1 4.17Å; L429-L451 HydrophobicContact CD1-CD2 4.16Å; L429-L451 HydrophobicContact CD1-CG 4.44Å; L447-L451 WeakPolarHBondContact O-CG 3.45Å; L447-L451 PolarHBondContact O-N 3.34Å; I448-L451 HydrophobicContact CD1-CD1 4.45Å; I448-L451 PolarHBondContact O-N 2.89Å; L451-Q453 PolarHBondContact O-N 3.02Å; L451-C454 CarbonylContact O-C 3.57Å; L451-C454 WeakPolarHBondContact O-CA 3.42Å; L451-C454 WeakPolarHBondContact O-CB 3.3Å; L451-C454 PolarHBondContact O-N 3.36Å; L451-L455 PolarHBondContact O-N 3.48Å; L451-L455 VanDerWaalsContact O-N 3.1Å; L451-T466 HydrophobicContact CB-CG2 4.21Å; L451-T466 HydrophobicContact CD2-CG2 4.37Å; L451-T466 WeakPolarHBondContact O-CG2 3.48Å; L451-T469 HydrophobicContact CD1-CG2 4.02Å; L451-L470 HydrophobicContact CB-CD1 4.21Å; L451-L470 HydrophobicContact CB-CD2 3.67Å; L451-L470 HydrophobicContact CB-CG 3.97Å; L451-L470 HydrophobicContact CD1-CD2 4.12Å
452I98.6Very high97.4Very high17 Ų1746.9 Ų46.99%0.08724%0.243CC..Hα-helixtrans-57.2-36.9173.7-68.4168.8000110.9I448 L455 L470 P488 L489 E492I448-I452 HydrophobicContact CG2-CD1 3.79Å; I448-I452 HydrophobicContact CG2-CG1 4.36Å; I448-I452 VanDerWaalsContact O-CG1 3.28Å; I448-I452 WeakPolarHBondContact O-CG1 3.38Å; I448-I452 PolarHBondContact O-N 3.16Å; I452-L455 WeakPolarHBondContact O-CB 3.41Å; I452-L455 PolarHBondContact O-N 2.94Å; I452-L470 HydrophobicContact CG1-CD1 4.37Å; I452-L470 HydrophobicContact CG1-CD2 4.33Å; I452-P488 HydrophobicContact CD1-CB 4.16Å; I452-L489 HydrophobicContact CD1-CB 3.98Å; I452-L489 HydrophobicContact CG1-CB 4.37Å; I452-L489 HydrophobicContact CG1-CD1 4.14Å; I452-E492 HydrophobicContact CG2-CB 4.11Å; I452-E492 HydrophobicContact CG2-CG 3.62Å
453Q98Very high97.4Very high145 Ų14543.1 Ų43.168%0.67822%0.217SC*.Hα-helixtrans-66.7-38.7172.5-173.5-176.64.500112.4P449 H450 L451 L455 S456P449-Q453 PolarHBondContact O-N 3.31Å; P449-Q453 VanDerWaalsContact O-N 3.09Å; H450-Q453 WeakPolarHBondContact O-CA 3.33Å; H450-Q453 VanDerWaalsContact O-CB 3.31Å; H450-Q453 WeakPolarHBondContact O-CB 3.32Å; H450-Q453 PolarHBondContact O-N 2.89Å; H450-Q453 VanDerWaalsContact O-N 3.12Å; L451-Q453 PolarHBondContact O-N 3.02Å; Q453-L455 PolarHBondContact O-N 3.05Å; Q453-S456 PolarHBondContact O-N 3.06Å
454C98.2Very high97.4Very high8 Ų839.3 Ų39.35%0.05420%0.204CC..Hα-helixtrans-64.7-20.9176.6-770000113.7I426 H450 L451 S456 D457 T466I426-C454 HydrophobicContact CD1-CB 4.22Å; H450-C454 PolarHBondContact O-N 3.16Å; L451-C454 CarbonylContact O-C 3.57Å; L451-C454 WeakPolarHBondContact O-CA 3.42Å; L451-C454 WeakPolarHBondContact O-CB 3.3Å; L451-C454 PolarHBondContact O-N 3.36Å; C454-S456 PolarHBondContact O-N 3.44Å; C454-D457 VanDerWaalsContact O-CB 3.32Å; C454-D457 WeakPolarHBondContact O-CB 3.43Å; C454-D457 PolarHBondContact O-N 3.38Å; C454-T466 HydrophobicContact CB-CG2 3.9Å
455L98.5Very high97.4Very high0 Ų040.2 Ų40.20%021%0.209CC..THydrogen-bonded Turntrans-56.2-24.4168.4-68.3173.9000111.5L451 I452 Q453 R463 T466 C467 L470 L489 E492 L493 R496L451-L455 PolarHBondContact O-N 3.48Å; L451-L455 VanDerWaalsContact O-N 3.1Å; I452-L455 WeakPolarHBondContact O-CB 3.41Å; I452-L455 PolarHBondContact O-N 2.94Å; Q453-L455 PolarHBondContact O-N 3.05Å; L455-R463 WeakPolarHBondContact O-CD 3.42Å; L455-R463 VanDerWaalsContact O-CG 3.24Å; L455-R463 WeakPolarHBondContact O-CG 3.48Å; L455-T466 HydrophobicContact CD2-CG2 3.75Å; L455-T466 HydrophobicContact CG-CG2 3.91Å; L455-C467 HydrophobicContact CD2-CB 4.44Å; L455-C467 WeakPolarHBondContact CD2-SG 3.41Å; L455-L470 HydrophobicContact CD1-CD1 3.71Å; L455-L470 HydrophobicContact CD2-CD1 3.98Å; L455-L470 HydrophobicContact CG-CD1 3.8Å; L455-L489 HydrophobicContact CD1-CD1 4.44Å; L455-E492 HydrophobicContact CB-CB 4.44Å; L455-E492 HydrophobicContact CD1-CB 3.59Å; L455-L493 HydrophobicContact CD1-CD2 4.21Å; L455-L493 HydrophobicContact CD1-CG 4.4Å; L455-L493 HydrophobicContact CD2-CD2 4.25Å; L455-R496 HydrophobicContact CB-CG 4.2Å; L455-R496 HydrophobicContact CD2-CG 4.35Å; L455-R496 VanDerWaalsContact O-CD 3.26Å; L455-R496 WeakPolarHBondContact O-CD 3.19Å; L455-R496 PolarHBondContact O-NH1 2.91Å
456S97.4Very high97.5Very high69 Ų6937.2 Ų37.248%0.48319%0.189SC..THydrogen-bonded Turntrans-101.122175.7-67.50000114.4Q453 C454 R496Q453-S456 PolarHBondContact O-N 3.06Å; C454-S456 PolarHBondContact O-N 3.44Å; S456-R496 PolarHBondContact OG-NH1 3.05Å
457D97.5Very high97.6Very high24 Ų2430.3 Ų30.313%0.12816%0.157CC..  trans-64.3150174.1-162.8-70.7000111.4K422 C454 K459 V462 R463K422-D457 IonicContact NZ-OD2 2.85Å; K422-D457 PolarHBondContact NZ-OD2 3.45Å; C454-D457 VanDerWaalsContact O-CB 3.32Å; C454-D457 WeakPolarHBondContact O-CB 3.43Å; C454-D457 PolarHBondContact O-N 3.38Å; D457-K459 PolarHBondContact O-N 3.46Å; D457-K459 PolarHBondContact OD1-N 3.18Å; D457-V462 HydrophobicContact CB-CB 3.92Å; D457-V462 HydrophobicContact CB-CG1 3.56Å; D457-R463 HydrophobicContact CB-CG 4.43Å; D457-R463 VanDerWaalsContact O-CD 3.23Å; D457-R463 WeakPolarHBondContact O-CD 3.43Å; D457-R463 WeakPolarHBondContact O-CG 3.42Å; D457-R463 PolarHBondContact O-NH1 3.12Å
458K95.4Very high97.6Very high159 Ų15931 Ų3169%0.69116%0.158SC*.SBendtrans-62.8-2717866.2-179.1-179.41780112.5R463K458-R463 PolarHBondContact O-NH1 2.82Å
459K96.5Very high97.7Very high32 Ų3231 Ų3114%0.13916%0.158CC..SBendtrans-93.8122.6-177.3-75.2-53.7-159.9163.80111.9E331 W419 D457 L461 V462 R463E331-K459 WeakPolarHBondContact OE1-CD 3.46Å; E331-K459 WeakPolarHBondContact OE1-CE 3.47Å; E331-K459 IonicContact OE1-NZ 3.5Å; E331-K459 PolarHBondContact OE1-NZ 3.48Å; E331-K459 WeakPolarHBondContact OE2-CA 3.34Å; W419-K459 HydrophobicContact CB-CB 4.33Å; W419-K459 HydrophobicContact CB-CG 3.73Å; W419-K459 HydrophobicContact CD2-CB 4.46Å; W419-K459 HydrophobicContact CD2-CD 4.49Å; W419-K459 HydrophobicContact CD2-CG 3.96Å; W419-K459 HydrophobicContact CG-CB 4.41Å; W419-K459 HydrophobicContact CG-CD 4.38Å; W419-K459 HydrophobicContact CG-CG 3.61Å; D457-K459 PolarHBondContact O-N 3.46Å; D457-K459 PolarHBondContact OD1-N 3.18Å; K459-L461 VanDerWaalsContact C-N 3.31Å; K459-L461 PolarHBondContact O-N 3.13Å; K459-V462 HydrophobicContact CB-CB 4.2Å; K459-V462 HydrophobicContact CB-CG2 3.8Å; K459-V462 WeakPolarHBondContact O-CB 3.44Å; K459-V462 PolarHBondContact O-N 2.96Å; K459-V462 VanDerWaalsContact O-N 3.08Å; K459-R463 VanDerWaalsContact C-NH1 3.34Å; K459-R463 PolarHBondContact O-N 2.9Å; K459-R463 VanDerWaalsContact O-N 3.08Å
460A96.5Very high97.7Very high5 Ų528 Ų284%0.04114%0.139CC..Hα-helixtrans-56.7-43179.500000112.2E331 V462 R463 S464 N501 V504E331-A460 WeakPolarHBondContact OE2-CB 3.35Å; E331-A460 PolarHBondContact OE2-N 3Å; A460-V462 VanDerWaalsContact C-N 3.3Å; A460-V462 PolarHBondContact O-N 3.24Å; A460-R463 PolarHBondContact O-N 3.23Å; A460-R463 VanDerWaalsContact O-N 3.1Å; A460-S464 WeakPolarHBondContact O-CB 3.46Å; A460-S464 PolarHBondContact O-N 2.99Å; A460-N501 HydrophobicContact CB-CB 3.91Å; A460-V504 HydrophobicContact CB-CG2 3.81Å; A460-V504 VanDerWaalsContact O-CG2 3.25Å; A460-V504 WeakPolarHBondContact O-CG2 3.32Å
461L95.8Very high97.7Very high8 Ų827.4 Ų27.44%0.04214%0.138CC..Hα-helixtrans-61.6-36.8177.2-67.5174.3000112.7Y318 L326 W419 K459 I465Y318-L461 HydrophobicContact CE2-CD1 4.21Å; L326-L461 HydrophobicContact CD1-CD2 4.39Å; W419-L461 HydrophobicContact CE3-CB 4.5Å; W419-L461 HydrophobicContact CH2-CB 4.45Å; W419-L461 HydrophobicContact CH2-CD1 3.48Å; W419-L461 VanDerWaalsContact CH2-CD1 3.48Å; W419-L461 HydrophobicContact CZ3-CB 3.81Å; W419-L461 HydrophobicContact CZ3-CD1 3.69Å; W419-L461 HydrophobicContact CZ3-CG 4.39Å; K459-L461 VanDerWaalsContact C-N 3.31Å; K459-L461 PolarHBondContact O-N 3.13Å; L461-I465 WeakPolarHBondContact O-CG2 3.08Å; L461-I465 PolarHBondContact O-N 2.8Å
462V97.8Very high97.7Very high0 Ų029.8 Ų29.80%015%0.147CC..Hα-helixtrans-65.2-45.8172.9177.40000110.4W419 K422 E423 I426 D457 K459 A460 S464 I465 T466W419-V462 HydrophobicContact CB-CG2 4.07Å; W419-V462 HydrophobicContact CE3-CG2 4.18Å; K422-V462 HydrophobicContact CD-CG1 4.21Å; E423-V462 HydrophobicContact CB-CG2 3.99Å; E423-V462 HydrophobicContact CG-CG2 4.32Å; I426-V462 HydrophobicContact CD1-CG1 3.97Å; D457-V462 HydrophobicContact CB-CB 3.92Å; D457-V462 HydrophobicContact CB-CG1 3.56Å; K459-V462 HydrophobicContact CB-CB 4.2Å; K459-V462 HydrophobicContact CB-CG2 3.8Å; K459-V462 WeakPolarHBondContact O-CB 3.44Å; K459-V462 PolarHBondContact O-N 2.96Å; K459-V462 VanDerWaalsContact O-N 3.08Å; A460-V462 VanDerWaalsContact C-N 3.3Å; A460-V462 PolarHBondContact O-N 3.24Å; V462-S464 PolarHBondContact O-N 2.85Å; V462-I465 WeakPolarHBondContact O-CG2 3.18Å; V462-T466 VanDerWaalsContact O-CB 3.26Å; V462-T466 WeakPolarHBondContact O-CB 3.32Å; V462-T466 PolarHBondContact O-N 2.91Å; V462-T466 VanDerWaalsContact O-N 3.08Å; V462-T466 PolarHBondContact O-OG1 3.36Å
463R98.3Very high97.7Very high16 Ų1629.1 Ų29.16%0.0614%0.143CC..Hα-helixtrans-60.4-46.7178.1-59.5-165-64-75.71.8111.1L455 D457 K458 K459 A460 T466 C467 D499 V504L455-R463 WeakPolarHBondContact O-CD 3.42Å; L455-R463 VanDerWaalsContact O-CG 3.24Å; L455-R463 WeakPolarHBondContact O-CG 3.48Å; D457-R463 HydrophobicContact CB-CG 4.43Å; D457-R463 VanDerWaalsContact O-CD 3.23Å; D457-R463 WeakPolarHBondContact O-CD 3.43Å; D457-R463 WeakPolarHBondContact O-CG 3.42Å; D457-R463 PolarHBondContact O-NH1 3.12Å; K458-R463 PolarHBondContact O-NH1 2.82Å; K459-R463 VanDerWaalsContact C-NH1 3.34Å; K459-R463 PolarHBondContact O-N 2.9Å; K459-R463 VanDerWaalsContact O-N 3.08Å; A460-R463 PolarHBondContact O-N 3.23Å; A460-R463 VanDerWaalsContact O-N 3.1Å; R463-T466 WeakPolarHBondContact O-CB 3.39Å; R463-T466 PolarHBondContact O-N 2.77Å; R463-C467 PolarHBondContact O-N 3.3Å; R463-C467 PolarHBondContact O-SG 3.39Å; R463-C467 VanDerWaalsContact O-SG 3.35Å; R463-D499 IonicContact CZ-OD1 2.7Å; R463-D499 IonicContact CZ-OD2 3.81Å; R463-D499 IonicContact NE-OD1 2.82Å; R463-D499 IonicContact NE-OD2 3.43Å; R463-D499 PolarHBondContact NE-OD2 3.01Å; R463-D499 IonicContact NH2-OD1 3.63Å; R463-D499 PolarHBondContact NH2-OD1 3.27Å; R463-D499 IonicContact NH2-OD2 3.97Å; R463-V504 HydrophobicContact CB-CG1 3.83Å; R463-V504 HydrophobicContact CB-CG2 3.92Å
464S97.1Very high97.6Very high18 Ų1822.2 Ų22.213%0.12611%0.111CC..Hα-helixtrans-57.9-55.4179.9-1690000112.2A460 V462 T466 C467 W468 R503 A507A460-S464 WeakPolarHBondContact O-CB 3.46Å; A460-S464 PolarHBondContact O-N 2.99Å; V462-S464 PolarHBondContact O-N 2.85Å; S464-T466 PolarHBondContact O-N 3.09Å; S464-C467 WeakPolarHBondContact O-CB 3.25Å; S464-C467 PolarHBondContact O-N 3.46Å; S464-C467 VanDerWaalsContact O-N 3.11Å; S464-W468 PolarHBondContact O-N 3.24Å; S464-R503 WeakPolarHBondContact OG-CG 3.47Å; S464-A507 WeakPolarHBondContact OG-CB 3.27Å
465I97.6Very high97.5Very high19 Ų1927.3 Ų27.310%0.09713%0.134CC..Hα-helixtrans-65.5-27.7-179.4-166.359.2000112.1E423 I426 L427 L461 V462 W468 T469E423-I465 HydrophobicContact CG-CG2 3.72Å; E423-I465 WeakPolarHBondContact OE1-CB 3.34Å; E423-I465 WeakPolarHBondContact OE1-CG1 2.82Å; E423-I465 WeakPolarHBondContact OE1-CG2 3.42Å; I426-I465 HydrophobicContact CB-CG2 4.08Å; I426-I465 HydrophobicContact CG2-CG1 4.33Å; I426-I465 HydrophobicContact CG2-CG2 3.85Å; L427-I465 HydrophobicContact CB-CD1 4.17Å; L427-I465 HydrophobicContact CB-CG1 3.99Å; L427-I465 HydrophobicContact CD1-CD1 3.69Å; L427-I465 HydrophobicContact CD1-CG1 4.46Å; L427-I465 HydrophobicContact CG-CD1 4.47Å; L461-I465 WeakPolarHBondContact O-CG2 3.08Å; L461-I465 PolarHBondContact O-N 2.8Å; V462-I465 WeakPolarHBondContact O-CG2 3.18Å; I465-W468 HydrophobicContact CD1-CD2 4.29Å; I465-W468 HydrophobicContact CD1-CE3 3.63Å; I465-W468 HydrophobicContact CD1-CZ3 4.23Å; I465-T469 VanDerWaalsContact O-CB 3.29Å; I465-T469 WeakPolarHBondContact O-CB 3.41Å; I465-T469 PolarHBondContact O-N 2.71Å; I465-T469 PolarHBondContact O-OG1 3.34Å
466T98.7Very high97.5Very high0 Ų028.1 Ų28.10%014%0.137CC..Hα-helixtrans-69.1-39176-57.90000111.2I426 L451 C454 L455 V462 R463 S464 T469 L470I426-T466 WeakPolarHBondContact CD1-OG1 3.26Å; L451-T466 HydrophobicContact CB-CG2 4.21Å; L451-T466 HydrophobicContact CD2-CG2 4.37Å; L451-T466 WeakPolarHBondContact O-CG2 3.48Å; C454-T466 HydrophobicContact CB-CG2 3.9Å; L455-T466 HydrophobicContact CD2-CG2 3.75Å; L455-T466 HydrophobicContact CG-CG2 3.91Å; V462-T466 VanDerWaalsContact O-CB 3.26Å; V462-T466 WeakPolarHBondContact O-CB 3.32Å; V462-T466 PolarHBondContact O-N 2.91Å; V462-T466 VanDerWaalsContact O-N 3.08Å; V462-T466 PolarHBondContact O-OG1 3.36Å; R463-T466 WeakPolarHBondContact O-CB 3.39Å; R463-T466 PolarHBondContact O-N 2.77Å; S464-T466 PolarHBondContact O-N 3.09Å; T466-T469 PolarHBondContact O-N 3.31Å; T466-L470 HydrophobicContact CG2-CD1 3.78Å; T466-L470 HydrophobicContact CG2-CG 4.38Å; T466-L470 WeakPolarHBondContact O-CB 3.48Å; T466-L470 WeakPolarHBondContact O-CD1 3.29Å; T466-L470 VanDerWaalsContact O-CG 3.3Å; T466-L470 WeakPolarHBondContact O-CG 3.35Å; T466-L470 PolarHBondContact O-N 2.86Å
467C98.8Very high97.5Very high0 Ų024.8 Ų24.80%011%0.114CC..Hα-helixtrans-57.7-54.1172.7-64.40000110.6L455 R463 S464 T469 L470 S471 L493 A507 A511L455-C467 HydrophobicContact CD2-CB 4.44Å; L455-C467 WeakPolarHBondContact CD2-SG 3.41Å; R463-C467 PolarHBondContact O-N 3.3Å; R463-C467 PolarHBondContact O-SG 3.39Å; R463-C467 VanDerWaalsContact O-SG 3.35Å; S464-C467 WeakPolarHBondContact O-CB 3.25Å; S464-C467 PolarHBondContact O-N 3.46Å; S464-C467 VanDerWaalsContact O-N 3.11Å; C467-T469 PolarHBondContact O-N 3.36Å; C467-L470 PolarHBondContact O-N 2.83Å; C467-S471 PolarHBondContact O-N 3.44Å; C467-S471 VanDerWaalsContact O-N 3.08Å; C467-L493 HydrophobicContact CB-CD2 4.26Å; C467-A507 HydrophobicContact CB-CB 3.97Å; C467-A507 WeakPolarHBondContact CB-O 3.34Å; C467-A511 HydrophobicContact CB-CB 4Å; C467-A511 WeakPolarHBondContact O-CB 3.45Å
468W97.8Very high97.5Very high37 Ų3725.1 Ų25.114%0.1412%0.116CC..Hα-helixtrans-58.4-45.9177.617887.2000112.1E371 L427 S464 I465 L470 S471 R472E371-W468 PolarHBondContact O-NE1 2.85Å; E371-W468 VanDerWaalsContact O-NE1 3.12Å; L427-W468 HydrophobicContact CD1-CE3 4.47Å; L427-W468 HydrophobicContact CD1-CH2 4.26Å; L427-W468 HydrophobicContact CD1-CZ3 3.82Å; S464-W468 PolarHBondContact O-N 3.24Å; I465-W468 HydrophobicContact CD1-CD2 4.29Å; I465-W468 HydrophobicContact CD1-CE3 3.63Å; I465-W468 HydrophobicContact CD1-CZ3 4.23Å; W468-L470 VanDerWaalsContact C-N 3.3Å; W468-L470 PolarHBondContact O-N 3.38Å; W468-S471 PolarHBondContact O-N 3.04Å; W468-S471 PolarHBondContact O-OG 2.98Å; W468-R472 HydrophobicContact CZ2-CG 4.32Å; W468-R472 WeakPolarHBondContact O-CG 3.45Å; W468-R472 PolarHBondContact O-N 3.44Å
469T98.6Very high97.5Very high0 Ų021 Ų210%011%0.108CC..Hα-helixtrans-63.3-38179-61.30000111.9I426 L429 L451 I465 T466 C467 R472 Y473I426-T469 HydrophobicContact CG2-CG2 4.07Å; I426-T469 VanDerWaalsContact CG2-OG1 3.29Å; I426-T469 WeakPolarHBondContact CG2-OG1 3.47Å; I426-T469 PolarHBondContact O-OG1 2.93Å; I426-T469 VanDerWaalsContact O-OG1 3.14Å; L429-T469 HydrophobicContact CB-CG2 3.92Å; L451-T469 HydrophobicContact CD1-CG2 4.02Å; I465-T469 VanDerWaalsContact O-CB 3.29Å; I465-T469 WeakPolarHBondContact O-CB 3.41Å; I465-T469 PolarHBondContact O-N 2.71Å; I465-T469 PolarHBondContact O-OG1 3.34Å; T466-T469 PolarHBondContact O-N 3.31Å; C467-T469 PolarHBondContact O-N 3.36Å; T469-R472 PolarHBondContact O-N 2.78Å; T469-Y473 HydrophobicContact CG2-CE2 4.32Å; T469-Y473 VanDerWaalsContact O-CD2 3.28Å; T469-Y473 WeakPolarHBondContact O-CD2 3.22Å
470L98.7Very high97.4Very high1 Ų122.2 Ų22.21%0.00511%0.114CC..Hα-helixtrans-69.3-32.8178.5-78.6164.6000112.6I448 L451 I452 L455 T466 C467 W468 R472 Y473 A474 L489I448-L470 HydrophobicContact CD1-CD2 4.04Å; I448-L470 HydrophobicContact CG2-CD2 4.45Å; L451-L470 HydrophobicContact CB-CD1 4.21Å; L451-L470 HydrophobicContact CB-CD2 3.67Å; L451-L470 HydrophobicContact CB-CG 3.97Å; L451-L470 HydrophobicContact CD1-CD2 4.12Å; I452-L470 HydrophobicContact CG1-CD1 4.37Å; I452-L470 HydrophobicContact CG1-CD2 4.33Å; L455-L470 HydrophobicContact CD1-CD1 3.71Å; L455-L470 HydrophobicContact CD2-CD1 3.98Å; L455-L470 HydrophobicContact CG-CD1 3.8Å; T466-L470 HydrophobicContact CG2-CD1 3.78Å; T466-L470 HydrophobicContact CG2-CG 4.38Å; T466-L470 WeakPolarHBondContact O-CB 3.48Å; T466-L470 WeakPolarHBondContact O-CD1 3.29Å; T466-L470 VanDerWaalsContact O-CG 3.3Å; T466-L470 WeakPolarHBondContact O-CG 3.35Å; T466-L470 PolarHBondContact O-N 2.86Å; C467-L470 PolarHBondContact O-N 2.83Å; W468-L470 VanDerWaalsContact C-N 3.3Å; W468-L470 PolarHBondContact O-N 3.38Å; L470-R472 VanDerWaalsContact C-N 3.32Å; L470-R472 PolarHBondContact O-N 3.21Å; L470-Y473 CarbonylContact O-C 3.59Å; L470-Y473 PolarHBondContact O-N 3.12Å; L470-Y473 VanDerWaalsContact O-N 3.12Å; L470-A474 PolarHBondContact O-N 3.22Å; L470-L489 HydrophobicContact CB-CD1 4Å; L470-L489 HydrophobicContact CD1-CD1 3.65Å; L470-L489 HydrophobicContact CD2-CD1 4.1Å; L470-L489 HydrophobicContact CG-CD1 4.13Å
471S98Very high97.3Very high16 Ų1625.9 Ų25.911%0.11214%0.137CC..Hα-helixtrans-64.2-38.2175.969.70000111.6C467 W468 Y473 A474C467-S471 PolarHBondContact O-N 3.44Å; C467-S471 VanDerWaalsContact O-N 3.08Å; W468-S471 PolarHBondContact O-N 3.04Å; W468-S471 PolarHBondContact O-OG 2.98Å; S471-Y473 PolarHBondContact O-N 3.16Å; S471-A474 WeakPolarHBondContact O-CB 3.35Å; S471-A474 PolarHBondContact O-N 3.12Å
472R97.8Very high97Very high52 Ų5227.5 Ų27.520%0.19615%0.148CC..THydrogen-bonded Turntrans-62-12.5174.1-54.8-68.3-72.6163.35.4114E371 A433 E434 W468 T469 L470E371-R472 IonicContact OE1-NH1 3.54Å; E371-R472 IonicContact OE2-CZ 2.76Å; E371-R472 IonicContact OE2-NE 3.55Å; E371-R472 IonicContact OE2-NH1 3.95Å; E371-R472 PolarHBondContact OE2-NH1 3.19Å; A433-R472 HydrophobicContact CB-CB 3.73Å; E434-R472 IonicContact OE2-CZ 3.69Å; E434-R472 IonicContact OE2-NH2 3.31Å; E434-R472 PolarHBondContact OE2-NH2 3.23Å; W468-R472 HydrophobicContact CZ2-CG 4.32Å; W468-R472 WeakPolarHBondContact O-CG 3.45Å; W468-R472 PolarHBondContact O-N 3.44Å; T469-R472 PolarHBondContact O-N 2.78Å; L470-R472 VanDerWaalsContact C-N 3.32Å; L470-R472 PolarHBondContact O-N 3.21Å
473Y98.2Very high96.8Very high2 Ų232.9 Ų32.91%0.00818%0.177CC..THydrogen-bonded Turntrans-115.110.1172.9-66.9-81.4000113.4L429 A433 M437 L444 I448 T469 L470 S471 H475 W476 V477L429-Y473 WeakPolarHBondContact O-CE2 3.31Å; L429-Y473 PolarHBondContact O-OH 2.96Å; A433-Y473 WeakPolarHBondContact CA-OH 3.41Å; A433-Y473 HydrophobicContact CB-CD1 4.46Å; A433-Y473 HydrophobicContact CB-CD2 4.25Å; A433-Y473 HydrophobicContact CB-CE1 3.89Å; A433-Y473 HydrophobicContact CB-CE2 3.64Å; A433-Y473 VanDerWaalsContact CB-CZ 3.44Å; M437-Y473 HydrophobicContact CE-CD1 3.63Å; M437-Y473 HydrophobicContact CE-CE1 3.95Å; M437-Y473 HydrophobicContact SD-CD1 3.81Å; M437-Y473 HydrophobicContact SD-CE1 3.97Å; L444-Y473 HydrophobicContact CD1-CD1 3.96Å; L444-Y473 HydrophobicContact CD1-CE1 4.3Å; L444-Y473 HydrophobicContact CD2-CD1 3.69Å; L444-Y473 HydrophobicContact CD2-CE1 3.59Å; L444-Y473 HydrophobicContact CD2-CG 4.41Å; I448-Y473 HydrophobicContact CD1-CG 4.19Å; T469-Y473 HydrophobicContact CG2-CE2 4.32Å; T469-Y473 VanDerWaalsContact O-CD2 3.28Å; T469-Y473 WeakPolarHBondContact O-CD2 3.22Å; L470-Y473 CarbonylContact O-C 3.59Å; L470-Y473 PolarHBondContact O-N 3.12Å; L470-Y473 VanDerWaalsContact O-N 3.12Å; S471-Y473 PolarHBondContact O-N 3.16Å; Y473-H475 VanDerWaalsContact C-N 3.34Å; Y473-H475 PolarHBondContact O-N 3.03Å; Y473-W476 PolarHBondContact O-N 3.37Å; Y473-W476 VanDerWaalsContact O-N 3.16Å; Y473-V477 WeakPolarHBondContact O-CG2 3.31Å; Y473-V477 PolarHBondContact O-N 3.39Å
474A97.2Very high96.7Very high1 Ų135.6 Ų35.61%0.00820%0.196CC..Hα-helixtrans-57.3-44.9-177.100000112L470 S471 W476 V477 V478 T514 L515 E518L470-A474 PolarHBondContact O-N 3.22Å; S471-A474 WeakPolarHBondContact O-CB 3.35Å; S471-A474 PolarHBondContact O-N 3.12Å; A474-W476 VanDerWaalsContact C-N 3.32Å; A474-W476 PolarHBondContact O-N 3.18Å; A474-V477 WeakPolarHBondContact O-CA 3.48Å; A474-V477 WeakPolarHBondContact O-CB 3.22Å; A474-V477 PolarHBondContact O-N 3.16Å; A474-V478 WeakPolarHBondContact O-CG2 3.22Å; A474-V478 PolarHBondContact O-N 2.89Å; A474-T514 HydrophobicContact CB-CG2 4.35Å; A474-L515 HydrophobicContact CB-CD1 4.22Å; A474-E518 HydrophobicContact CB-CB 4.36Å; A474-E518 HydrophobicContact CB-CG 4.02Å
475H95.7Very high96.7Very high115 Ų11536.2 Ų36.253%0.53220%0.195SC..Hα-helixtrans-52.7-47.8175.6-174.770.4000112.7Y473 V477 V478 S479 E518Y473-H475 VanDerWaalsContact C-N 3.34Å; Y473-H475 PolarHBondContact O-N 3.03Å; H475-V477 PolarHBondContact O-N 3.03Å; H475-V478 PolarHBondContact O-N 2.97Å; H475-S479 PolarHBondContact O-N 2.93Å; H475-S479 VanDerWaalsContact O-N 3.07Å; H475-E518 WeakPolarHBondContact CA-OE2 3.26Å; H475-E518 WeakPolarHBondContact CB-OE2 3.34Å; H475-E518 IonicContact CE1-OE2 3.22Å; H475-E518 IonicContact CG-OE2 3.82Å; H475-E518 IonicContact ND1-OE2 3.56Å; H475-E518 PolarHBondContact ND1-OE2 3.11Å
476W97.5Very high96.6Very high16 Ų1635.4 Ų35.46%0.06119%0.191CC..Hα-helixtrans-63.9-44176.3-179.585.1000111.1M437 L444 P445 I448 Y473 A474 V478 S479 Q480 Y485M437-W476 HydrophobicContact SD-CB 4.43Å; L444-W476 HydrophobicContact CB-CD2 4.03Å; L444-W476 HydrophobicContact CB-CE3 4.07Å; L444-W476 HydrophobicContact CB-CH2 3.71Å; L444-W476 HydrophobicContact CB-CZ2 3.65Å; L444-W476 HydrophobicContact CB-CZ3 3.94Å; L444-W476 HydrophobicContact CD1-CB 4.09Å; L444-W476 HydrophobicContact CD1-CD2 3.44Å; L444-W476 VanDerWaalsContact CD1-CD2 3.44Å; L444-W476 HydrophobicContact CD1-CE3 4.02Å; L444-W476 HydrophobicContact CD1-CG 3.45Å; L444-W476 VanDerWaalsContact CD1-CG 3.45Å; L444-W476 HydrophobicContact CD1-CZ2 4.4Å; L444-W476 HydrophobicContact CG-CD2 4.37Å; P445-W476 HydrophobicContact CG-CH2 4.47Å; P445-W476 HydrophobicContact CG-CZ2 4.34Å; I448-W476 HydrophobicContact CB-CZ3 4.19Å; I448-W476 HydrophobicContact CG1-CE3 3.97Å; I448-W476 HydrophobicContact CG1-CZ3 3.65Å; Y473-W476 PolarHBondContact O-N 3.37Å; Y473-W476 VanDerWaalsContact O-N 3.16Å; A474-W476 VanDerWaalsContact C-N 3.32Å; A474-W476 PolarHBondContact O-N 3.18Å; W476-V478 VanDerWaalsContact C-N 3.31Å; W476-V478 PolarHBondContact O-N 3.32Å; W476-S479 PolarHBondContact O-N 2.89Å; W476-S479 PolarHBondContact O-OG 3.23Å; W476-Q480 HydrophobicContact CD2-CG 4.18Å; W476-Q480 HydrophobicContact CE3-CG 4.26Å; W476-Q480 HydrophobicContact CH2-CG 3.92Å; W476-Q480 HydrophobicContact CZ2-CG 3.81Å; W476-Q480 HydrophobicContact CZ3-CG 4.12Å; W476-Q480 WeakPolarHBondContact O-CG 3.39Å; W476-Q480 PolarHBondContact O-N 3.3Å; W476-Y485 HydrophobicContact CH2-CD1 4.38Å; W476-Y485 HydrophobicContact CH2-CD2 4.17Å; W476-Y485 HydrophobicContact CH2-CE1 4.1Å; W476-Y485 AromaticContact CH2-CE2 3.86Å; W476-Y485 HydrophobicContact CH2-CE2 3.86Å; W476-Y485 HydrophobicContact CH2-CG 4.42Å; W476-Y485 AromaticContact CH2-CZ 3.83Å; W476-Y485 HydrophobicContact CZ3-CD1 4.15Å; W476-Y485 HydrophobicContact CZ3-CD2 4.22Å; W476-Y485 HydrophobicContact CZ3-CE1 4.3Å; W476-Y485 HydrophobicContact CZ3-CE2 4.35Å; W476-Y485 HydrophobicContact CZ3-CG 4.11Å
477V98.2Very high96.6Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-58.5-42.8-179.9168.30000111.8I448 Y473 A474 H475 Q480 L486 L489I448-V477 HydrophobicContact CD1-CG2 4.37Å; I448-V477 HydrophobicContact CG2-CG2 4.06Å; Y473-V477 WeakPolarHBondContact O-CG2 3.31Å; Y473-V477 PolarHBondContact O-N 3.39Å; A474-V477 WeakPolarHBondContact O-CA 3.48Å; A474-V477 WeakPolarHBondContact O-CB 3.22Å; A474-V477 PolarHBondContact O-N 3.16Å; H475-V477 PolarHBondContact O-N 3.03Å; V477-Q480 PolarHBondContact O-N 3.03Å; V477-L486 HydrophobicContact CG1-CB 4.2Å; V477-L489 HydrophobicContact CB-CD2 4.29Å; V477-L489 HydrophobicContact CG1-CB 4.47Å; V477-L489 HydrophobicContact CG1-CD2 3.85Å; V477-L489 HydrophobicContact CG2-CD2 4.14Å
478V96.7Very high96.6Very high30 Ų3041.7 Ų41.718%0.18222%0.223CC..Hα-helixtrans-70-34.2178.71760000111.8A474 H475 W476 Q480 L486 L515 E518 A519A474-V478 WeakPolarHBondContact O-CG2 3.22Å; A474-V478 PolarHBondContact O-N 2.89Å; H475-V478 PolarHBondContact O-N 2.97Å; W476-V478 VanDerWaalsContact C-N 3.31Å; W476-V478 PolarHBondContact O-N 3.32Å; V478-Q480 PolarHBondContact O-N 3.21Å; V478-Q480 VanDerWaalsContact O-N 3.11Å; V478-L486 HydrophobicContact CG2-CD1 4.31Å; V478-L515 HydrophobicContact CG2-CD1 4.15Å; V478-E518 WeakPolarHBondContact CG1-O 3.16Å; V478-E518 HydrophobicContact CG2-CB 3.98Å; V478-A519 HydrophobicContact CG1-CB 4.44Å; V478-A519 HydrophobicContact CG2-CB 3.82Å
479S95.4Very high96.6Very high73 Ų7340 Ų4051%0.5122%0.217SC..Hα-helixtrans-64.8-13.8176.678.10000114.4H475 W476H475-S479 PolarHBondContact O-N 2.93Å; H475-S479 VanDerWaalsContact O-N 3.07Å; W476-S479 PolarHBondContact O-N 2.89Å; W476-S479 PolarHBondContact O-OG 3.23Å
480Q96Very high96.6Very high58 Ų5840.1 Ų40.127%0.27122%0.217SC..SBendtrans-94.9163.4179.6-58.7-47.6-62.300112.1W476 V477 V478 P482 Y485W476-Q480 HydrophobicContact CD2-CG 4.18Å; W476-Q480 HydrophobicContact CE3-CG 4.26Å; W476-Q480 HydrophobicContact CH2-CG 3.92Å; W476-Q480 HydrophobicContact CZ2-CG 3.81Å; W476-Q480 HydrophobicContact CZ3-CG 4.12Å; W476-Q480 WeakPolarHBondContact O-CG 3.39Å; W476-Q480 PolarHBondContact O-N 3.3Å; V477-Q480 PolarHBondContact O-N 3.03Å; V478-Q480 PolarHBondContact O-N 3.21Å; V478-Q480 VanDerWaalsContact O-N 3.11Å; Q480-P482 WeakPolarHBondContact O-CD 3.42Å; Q480-Y485 HydrophobicContact CB-CD2 3.52Å; Q480-Y485 HydrophobicContact CB-CE2 4.05Å; Q480-Y485 HydrophobicContact CG-CD2 3.79Å; Q480-Y485 HydrophobicContact CG-CE2 4.04Å
481P92.9Very high96.6Very high82 Ų8241.7 Ų41.753%0.53223%0.227SC..  trans-53.9124.3175.9-2735.6000112.2D483 T484P481-D483 VanDerWaalsContact C-N 3.31Å; P481-D483 PolarHBondContact O-N 3.42Å; P481-D483 VanDerWaalsContact O-N 3.1Å; P481-T484 WeakPolarHBondContact O-CB 3.46Å; P481-T484 PolarHBondContact O-N 2.87Å; P481-T484 PolarHBondContact O-OG1 3.23Å
482P90.5Very high96.6Very high42 Ų4242.7 Ų42.727%0.27323%0.23SC..THydrogen-bonded Turntrans-53.5-38.5-167.5-33.936.3000116Q480 T484 L486 K487Q480-P482 WeakPolarHBondContact O-CD 3.42Å; P482-T484 PolarHBondContact O-N 2.96Å; P482-L486 HydrophobicContact CB-CB 4.5Å; P482-L486 HydrophobicContact CB-CD2 4.26Å; P482-L486 PolarHBondContact O-N 3.48Å; P482-K487 WeakPolarHBondContact O-CB 3.46Å; P482-K487 PolarHBondContact O-N 3.49Å
483D93.6Very high96.6Very high112 Ų11240.4 Ų40.460%0.59922%0.222SC*.THydrogen-bonded Turntrans-66.2-18.1-179.4-81.1-43.8000113.8P481 K487P481-D483 VanDerWaalsContact C-N 3.31Å; P481-D483 PolarHBondContact O-N 3.42Å; P481-D483 VanDerWaalsContact O-N 3.1Å; D483-K487 IonicContact OD1-NZ 2.8Å; D483-K487 PolarHBondContact OD1-NZ 3.48Å
484T94.8Very high96.7Very high74 Ų7440.3 Ų40.345%0.45422%0.222SC..THydrogen-bonded Turntrans-88-42.7-173.3-45.30000112.3P481 P482P481-T484 WeakPolarHBondContact O-CB 3.46Å; P481-T484 PolarHBondContact O-N 2.87Å; P481-T484 PolarHBondContact O-OG1 3.23Å; P482-T484 PolarHBondContact O-N 2.96Å
485Y96.9Very high96.7Very high31 Ų3144.4 Ų44.412%0.12224%0.239CC..THydrogen-bonded Turntrans-130.5-49.8-171.7-58-74.7000113P445 I448 P449 W476 Q480 K487 P488 L489P445-Y485 WeakPolarHBondContact CA-OH 3.41Å; I448-Y485 HydrophobicContact CB-CD1 4.37Å; I448-Y485 HydrophobicContact CG2-CD1 3.96Å; P449-Y485 HydrophobicContact CG-CD1 4.48Å; P449-Y485 HydrophobicContact CG-CE1 4.01Å; W476-Y485 HydrophobicContact CH2-CD1 4.38Å; W476-Y485 HydrophobicContact CH2-CD2 4.17Å; W476-Y485 HydrophobicContact CH2-CE1 4.1Å; W476-Y485 AromaticContact CH2-CE2 3.86Å; W476-Y485 HydrophobicContact CH2-CE2 3.86Å; W476-Y485 HydrophobicContact CH2-CG 4.42Å; W476-Y485 AromaticContact CH2-CZ 3.83Å; W476-Y485 HydrophobicContact CZ3-CD1 4.15Å; W476-Y485 HydrophobicContact CZ3-CD2 4.22Å; W476-Y485 HydrophobicContact CZ3-CE1 4.3Å; W476-Y485 HydrophobicContact CZ3-CE2 4.35Å; W476-Y485 HydrophobicContact CZ3-CG 4.11Å; Q480-Y485 HydrophobicContact CB-CD2 3.52Å; Q480-Y485 HydrophobicContact CB-CE2 4.05Å; Q480-Y485 HydrophobicContact CG-CD2 3.79Å; Q480-Y485 HydrophobicContact CG-CE2 4.04Å; Y485-K487 PolarHBondContact O-N 3.16Å; Y485-P488 WeakPolarHBondContact O-CD 3.37Å; Y485-L489 VanDerWaalsContact O-CB 3.28Å; Y485-L489 WeakPolarHBondContact O-CB 3.41Å; Y485-L489 PolarHBondContact O-N 3.02Å
486L97.5Very high96.8Very high1 Ų140.7 Ų40.71%0.00522%0.22CC..Hα-helixtrans-56.9-53.6-179.3174.358.9000111.8V477 V478 P482 L489 M490 L515 A519 E522 L523V477-L486 HydrophobicContact CG1-CB 4.2Å; V478-L486 HydrophobicContact CG2-CD1 4.31Å; P482-L486 HydrophobicContact CB-CB 4.5Å; P482-L486 HydrophobicContact CB-CD2 4.26Å; P482-L486 PolarHBondContact O-N 3.48Å; L486-L489 PolarHBondContact O-N 3.01Å; L486-M490 VanDerWaalsContact O-CB 3.22Å; L486-M490 WeakPolarHBondContact O-CB 3.49Å; L486-M490 PolarHBondContact O-N 3.08Å; L486-L515 HydrophobicContact CD1-CD1 3.69Å; L486-L515 HydrophobicContact CD1-CD2 4.11Å; L486-L515 HydrophobicContact CD1-CG 4.1Å; L486-A519 HydrophobicContact CD1-CB 4.34Å; L486-A519 HydrophobicContact CD2-CB 4.47Å; L486-E522 HydrophobicContact CD2-CB 4.15Å; L486-L523 HydrophobicContact CD1-CD2 4.42Å
487K97.6Very high96.9Very high86 Ų8640 Ų4037%0.37422%0.218SC..Hα-helixtrans-63.1-46.8-177.2175.4-177.3-177.8-179.90113.1P482 D483 Y485 T491 Y526P482-K487 WeakPolarHBondContact O-CB 3.46Å; P482-K487 PolarHBondContact O-N 3.49Å; D483-K487 IonicContact OD1-NZ 2.8Å; D483-K487 PolarHBondContact OD1-NZ 3.48Å; Y485-K487 PolarHBondContact O-N 3.16Å; K487-T491 VanDerWaalsContact O-CB 3.31Å; K487-T491 WeakPolarHBondContact O-CB 3.45Å; K487-T491 PolarHBondContact O-N 2.79Å; K487-T491 PolarHBondContact O-OG1 3.1Å; K487-Y526 HydrophobicContact CD-CE1 4.17Å; K487-Y526 HydrophobicContact CG-CE1 4.27Å
488P97.9Very high96.9Very high47 Ų4742.1 Ų42.131%0.30523%0.229SC..Hα-helixtrans-57.4-46.1171.4-28.836.6000113.7I452 Y485 T491 E492I452-P488 HydrophobicContact CD1-CB 4.16Å; Y485-P488 WeakPolarHBondContact O-CD 3.37Å; P488-T491 PolarHBondContact O-N 2.96Å; P488-E492 PolarHBondContact O-N 2.94Å
489L98.5Very high97Very high1 Ų141.1 Ų41.11%0.00522%0.222CC..Hα-helixtrans-60.7-55.1179.3175.459.3000111.2I452 L455 L470 V477 Y485 L486 T491 E492 L493 L515I452-L489 HydrophobicContact CD1-CB 3.98Å; I452-L489 HydrophobicContact CG1-CB 4.37Å; I452-L489 HydrophobicContact CG1-CD1 4.14Å; L455-L489 HydrophobicContact CD1-CD1 4.44Å; L470-L489 HydrophobicContact CB-CD1 4Å; L470-L489 HydrophobicContact CD1-CD1 3.65Å; L470-L489 HydrophobicContact CD2-CD1 4.1Å; L470-L489 HydrophobicContact CG-CD1 4.13Å; V477-L489 HydrophobicContact CB-CD2 4.29Å; V477-L489 HydrophobicContact CG1-CB 4.47Å; V477-L489 HydrophobicContact CG1-CD2 3.85Å; V477-L489 HydrophobicContact CG2-CD2 4.14Å; Y485-L489 VanDerWaalsContact O-CB 3.28Å; Y485-L489 WeakPolarHBondContact O-CB 3.41Å; Y485-L489 PolarHBondContact O-N 3.02Å; L486-L489 PolarHBondContact O-N 3.01Å; L489-T491 VanDerWaalsContact C-N 3.26Å; L489-T491 PolarHBondContact O-N 3.43Å; L489-E492 PolarHBondContact O-N 3.29Å; L489-E492 VanDerWaalsContact O-N 3.16Å; L489-L493 HydrophobicContact CD1-CD1 3.79Å; L489-L493 HydrophobicContact CD1-CG 3.86Å; L489-L493 HydrophobicContact CG-CD1 3.89Å; L489-L493 HydrophobicContact CG-CG 4.35Å; L489-L493 PolarHBondContact O-N 3.47Å; L489-L515 HydrophobicContact CD2-CD1 4.11Å; L489-L515 HydrophobicContact CD2-CD2 4.41Å; L489-L515 HydrophobicContact CG-CD2 4.37Å
490M98.3Very high97Very high2 Ų239 Ų391%0.0121%0.208CC..Hα-helixtrans-52.8-45.4177.5-179.4-161.961.500110.9L486 E492 L493 L494 F512 L515 L523 Y526 I530L486-M490 VanDerWaalsContact O-CB 3.22Å; L486-M490 WeakPolarHBondContact O-CB 3.49Å; L486-M490 PolarHBondContact O-N 3.08Å; M490-E492 PolarHBondContact O-N 3.01Å; M490-L493 PolarHBondContact O-N 2.98Å; M490-L494 HydrophobicContact CG-CD1 3.94Å; M490-L494 WeakPolarHBondContact O-CB 3.46Å; M490-L494 WeakPolarHBondContact O-CD1 3.43Å; M490-L494 WeakPolarHBondContact O-CG 3.25Å; M490-L494 PolarHBondContact O-N 3.18Å; M490-F512 HydrophobicContact CB-CE2 4.31Å; M490-F512 HydrophobicContact CG-CE2 3.61Å; M490-F512 HydrophobicContact CG-CZ 3.8Å; M490-L515 HydrophobicContact CB-CD2 4.1Å; M490-L523 HydrophobicContact SD-CD2 4.13Å; M490-Y526 HydrophobicContact CE-CD1 3.69Å; M490-Y526 HydrophobicContact CE-CD2 4.03Å; M490-Y526 HydrophobicContact CE-CE1 4.31Å; M490-Y526 HydrophobicContact CE-CG 3.53Å; M490-Y526 VanDerWaalsContact SD-CB 3.55Å; M490-Y526 HydrophobicContact SD-CD1 4.49Å; M490-Y526 HydrophobicContact SD-CD2 3.89Å; M490-Y526 HydrophobicContact SD-CG 3.73Å; M490-I530 HydrophobicContact SD-CD1 3.95Å; M490-I530 HydrophobicContact SD-CG1 4.11Å
491T98.2Very high97Very high35 Ų3536.5 Ų36.522%0.21520%0.196CC..Hα-helixtrans-63.8-43.4-179.3-57.90000112.4K487 P488 L489 K495 Y529K487-T491 VanDerWaalsContact O-CB 3.31Å; K487-T491 WeakPolarHBondContact O-CB 3.45Å; K487-T491 PolarHBondContact O-N 2.79Å; K487-T491 PolarHBondContact O-OG1 3.1Å; P488-T491 PolarHBondContact O-N 2.96Å; L489-T491 VanDerWaalsContact C-N 3.26Å; L489-T491 PolarHBondContact O-N 3.43Å; T491-K495 WeakPolarHBondContact O-CG 3.36Å; T491-K495 PolarHBondContact O-N 3.27Å; T491-Y529 HydrophobicContact CG2-CE1 4.3Å
492E98.6Very high97.1Very high37 Ų3733.6 Ų33.617%0.17318%0.175CC..Hα-helixtrans-75.9-34.5179.8-65-53.3132.200112.4I452 L455 P488 L489 M490 K495 R496I452-E492 HydrophobicContact CG2-CB 4.11Å; I452-E492 HydrophobicContact CG2-CG 3.62Å; L455-E492 HydrophobicContact CB-CB 4.44Å; L455-E492 HydrophobicContact CD1-CB 3.59Å; P488-E492 PolarHBondContact O-N 2.94Å; L489-E492 PolarHBondContact O-N 3.29Å; L489-E492 VanDerWaalsContact O-N 3.16Å; M490-E492 PolarHBondContact O-N 3.01Å; E492-K495 WeakPolarHBondContact O-CB 3.49Å; E492-K495 PolarHBondContact O-N 3.32Å; E492-K495 IonicContact OE1-NZ 3.28Å; E492-K495 PolarHBondContact OE1-NZ 2.97Å; E492-K495 WeakPolarHBondContact OE2-CD 3.42Å; E492-K495 IonicContact OE2-NZ 2.75Å; E492-K495 PolarHBondContact OE2-NZ 3.24Å; E492-R496 WeakPolarHBondContact O-CG 3.25Å; E492-R496 PolarHBondContact O-N 3.42Å; E492-R496 VanDerWaalsContact O-N 3.15Å
493L98.7Very high97.2Very high3 Ų333.6 Ų33.62%0.01617%0.17CC..Hα-helixtrans-63-44.3171.9-75.3177.4000111.7L455 C467 L489 M490 K495 R496 I497 A511 F512 L515L455-L493 HydrophobicContact CD1-CD2 4.21Å; L455-L493 HydrophobicContact CD1-CG 4.4Å; L455-L493 HydrophobicContact CD2-CD2 4.25Å; C467-L493 HydrophobicContact CB-CD2 4.26Å; L489-L493 HydrophobicContact CD1-CD1 3.79Å; L489-L493 HydrophobicContact CD1-CG 3.86Å; L489-L493 HydrophobicContact CG-CD1 3.89Å; L489-L493 HydrophobicContact CG-CG 4.35Å; L489-L493 PolarHBondContact O-N 3.47Å; M490-L493 PolarHBondContact O-N 2.98Å; L493-K495 PolarHBondContact O-N 3.15Å; L493-R496 CarbonylContact O-C 3.05Å; L493-R496 WeakPolarHBondContact O-CA 3.45Å; L493-R496 WeakPolarHBondContact O-CB 3.35Å; L493-R496 PolarHBondContact O-N 3.17Å; L493-I497 PolarHBondContact O-N 3.42Å; L493-A511 HydrophobicContact CD2-CB 4.18Å; L493-F512 HydrophobicContact CB-CD2 3.8Å; L493-F512 HydrophobicContact CB-CE2 4.43Å; L493-F512 HydrophobicContact CD1-CD2 4.14Å; L493-L515 HydrophobicContact CD1-CD2 4.11Å
494L98.7Very high97.3Very high1 Ų128.3 Ų28.31%0.00514%0.141CC..Hα-helixtrans-58.2-34.8175.1-72.4168000112.1M490 R496 I497 F512 Y529 I530 T533M490-L494 HydrophobicContact CG-CD1 3.94Å; M490-L494 WeakPolarHBondContact O-CB 3.46Å; M490-L494 WeakPolarHBondContact O-CD1 3.43Å; M490-L494 WeakPolarHBondContact O-CG 3.25Å; M490-L494 PolarHBondContact O-N 3.18Å; L494-R496 VanDerWaalsContact C-N 3.3Å; L494-R496 PolarHBondContact O-N 2.99Å; L494-I497 HydrophobicContact CD2-CD1 4.23Å; L494-F512 HydrophobicContact CD1-CE2 4.33Å; L494-F512 HydrophobicContact CD1-CZ 4.33Å; L494-F512 HydrophobicContact CD2-CD2 4.45Å; L494-F512 HydrophobicContact CD2-CE1 4.17Å; L494-F512 HydrophobicContact CD2-CE2 3.8Å; L494-F512 HydrophobicContact CD2-CZ 3.66Å; L494-F512 HydrophobicContact CG-CD2 4.46Å; L494-F512 HydrophobicContact CG-CE2 3.68Å; L494-F512 HydrophobicContact CG-CZ 3.94Å; L494-Y529 HydrophobicContact CB-CE1 4.41Å; L494-Y529 HydrophobicContact CD1-CD1 3.51Å; L494-Y529 HydrophobicContact CD1-CE1 3.41Å; L494-Y529 VanDerWaalsContact CD1-CE1 3.41Å; L494-Y529 HydrophobicContact CD1-CG 4.28Å; L494-I530 HydrophobicContact CD1-CG1 4.17Å; L494-I530 HydrophobicContact CD2-CG2 4.42Å; L494-T533 HydrophobicContact CB-CG2 3.93Å; L494-T533 HydrophobicContact CD2-CG2 3.8Å; L494-T533 HydrophobicContact CG-CG2 4.46Å; L494-T533 WeakPolarHBondContact O-CG2 3.45Å
495K98.6Very high97.4Very high86 Ų8624.8 Ų24.837%0.37412%0.12SC..Hα-helixtrans-69.8-26.5172.5-68.1171.7-173170.80113.3T491 E492 L493 L498T491-K495 WeakPolarHBondContact O-CG 3.36Å; T491-K495 PolarHBondContact O-N 3.27Å; E492-K495 WeakPolarHBondContact O-CB 3.49Å; E492-K495 PolarHBondContact O-N 3.32Å; E492-K495 IonicContact OE1-NZ 3.28Å; E492-K495 PolarHBondContact OE1-NZ 2.97Å; E492-K495 WeakPolarHBondContact OE2-CD 3.42Å; E492-K495 IonicContact OE2-NZ 2.75Å; E492-K495 PolarHBondContact OE2-NZ 3.24Å; L493-K495 PolarHBondContact O-N 3.15Å; K495-L498 CarbonylContact O-C 3.28Å
496R98.5Very high97.4Very high38 Ų3824 Ų2414%0.14312%0.118CC..Hα-helixtrans-85.6-27.6177.1-67-58.690.896.91.7113.1L455 S456 E492 L493 L494 L498 D499 V504 A508L455-R496 HydrophobicContact CB-CG 4.2Å; L455-R496 HydrophobicContact CD2-CG 4.35Å; L455-R496 VanDerWaalsContact O-CD 3.26Å; L455-R496 WeakPolarHBondContact O-CD 3.19Å; L455-R496 PolarHBondContact O-NH1 2.91Å; S456-R496 PolarHBondContact OG-NH1 3.05Å; E492-R496 WeakPolarHBondContact O-CG 3.25Å; E492-R496 PolarHBondContact O-N 3.42Å; E492-R496 VanDerWaalsContact O-N 3.15Å; L493-R496 CarbonylContact O-C 3.05Å; L493-R496 WeakPolarHBondContact O-CA 3.45Å; L493-R496 WeakPolarHBondContact O-CB 3.35Å; L493-R496 PolarHBondContact O-N 3.17Å; L494-R496 VanDerWaalsContact C-N 3.3Å; L494-R496 PolarHBondContact O-N 2.99Å; R496-L498 PolarHBondContact O-N 3.35Å; R496-L498 VanDerWaalsContact O-N 3.15Å; R496-D499 VanDerWaalsContact CD-OD2 3.24Å; R496-D499 WeakPolarHBondContact CD-OD2 3.45Å; R496-D499 IonicContact CZ-OD2 2.77Å; R496-D499 IonicContact NE-OD2 2.73Å; R496-D499 PolarHBondContact NE-OD2 3.34Å; R496-D499 WeakPolarHBondContact O-CB 3.5Å; R496-D499 PolarHBondContact O-N 3.49Å; R496-V504 HydrophobicContact CB-CG1 4.12Å; R496-V504 HydrophobicContact CG-CG1 4.36Å; R496-A508 VanDerWaalsContact C-CB 3.41Å; R496-A508 HydrophobicContact CB-CB 3.46Å; R496-A508 VanDerWaalsContact CB-CB 3.46Å
497I98.5Very high97.3Very high0 Ų024.4 Ų24.40%012%0.121CC..Hα-helixtrans-54.7-31.9163.7-72.8177.9000110.1L493 L494 A508 F512 T533 L534 A537 Y541L493-I497 PolarHBondContact O-N 3.42Å; L494-I497 HydrophobicContact CD2-CD1 4.23Å; I497-A508 HydrophobicContact CG1-CB 4.03Å; I497-F512 HydrophobicContact CD1-CB 3.85Å; I497-F512 HydrophobicContact CD1-CD1 4.24Å; I497-F512 HydrophobicContact CD1-CD2 4.27Å; I497-F512 HydrophobicContact CD1-CG 3.86Å; I497-T533 HydrophobicContact CB-CG2 4.39Å; I497-T533 HydrophobicContact CG2-CG2 4.14Å; I497-L534 HydrophobicContact CD1-CD2 3.98Å; I497-L534 HydrophobicContact CG2-CD2 4.4Å; I497-A537 HydrophobicContact CG2-CB 4.04Å; I497-Y541 WeakPolarHBondContact CG2-OH 3.24Å; I497-Y541 WeakPolarHBondContact O-CE1 3.31Å; I497-Y541 PolarHBondContact O-OH 2.93Å
498L98.1Very high97.3Very high45 Ų4520.3 Ų20.324%0.23610%0.103CC..THydrogen-bonded Turntrans-10021.2175.8-55.2-176000114.4K495 R496 T533 F536 A537 K540K495-L498 CarbonylContact O-C 3.28Å; R496-L498 PolarHBondContact O-N 3.35Å; R496-L498 VanDerWaalsContact O-N 3.15Å; L498-T533 HydrophobicContact CD1-CG2 3.86Å; L498-T533 HydrophobicContact CD2-CG2 4.25Å; L498-T533 HydrophobicContact CG-CG2 3.78Å; L498-F536 HydrophobicContact CD1-CD1 3.64Å; L498-F536 HydrophobicContact CD1-CE1 4.3Å; L498-F536 HydrophobicContact CD1-CG 4.46Å; L498-F536 HydrophobicContact CD2-CD1 3.7Å; L498-F536 HydrophobicContact CG-CD1 4.26Å; L498-A537 HydrophobicContact CD2-CB 3.91Å; L498-K540 VanDerWaalsContact C-CE 3.5Å; L498-K540 WeakPolarHBondContact O-CE 3.47Å; L498-K540 PolarHBondContact O-NZ 2.98Å
499D98.1Very high97.3Very high9 Ų918.1 Ų18.15%0.0489%0.088CC..  trans-63.6153.2-179.4-158.8-81.2000112.5R463 R496 N501 V504 Q505 K540R463-D499 IonicContact CZ-OD1 2.7Å; R463-D499 IonicContact CZ-OD2 3.81Å; R463-D499 IonicContact NE-OD1 2.82Å; R463-D499 IonicContact NE-OD2 3.43Å; R463-D499 PolarHBondContact NE-OD2 3.01Å; R463-D499 IonicContact NH2-OD1 3.63Å; R463-D499 PolarHBondContact NH2-OD1 3.27Å; R463-D499 IonicContact NH2-OD2 3.97Å; R496-D499 VanDerWaalsContact CD-OD2 3.24Å; R496-D499 WeakPolarHBondContact CD-OD2 3.45Å; R496-D499 IonicContact CZ-OD2 2.77Å; R496-D499 IonicContact NE-OD2 2.73Å; R496-D499 PolarHBondContact NE-OD2 3.34Å; R496-D499 WeakPolarHBondContact O-CB 3.5Å; R496-D499 PolarHBondContact O-N 3.49Å; D499-N501 PolarHBondContact O-N 3Å; D499-N501 WeakPolarHBondContact OD1-CB 3.34Å; D499-N501 PolarHBondContact OD1-N 3.47Å; D499-V504 HydrophobicContact CB-CB 3.85Å; D499-V504 HydrophobicContact CB-CG1 3.62Å; D499-V504 VanDerWaalsContact CG-CG1 3.47Å; D499-V504 WeakPolarHBondContact OD2-CG1 3.36Å; D499-Q505 HydrophobicContact CB-CG 4.4Å; D499-Q505 WeakPolarHBondContact O-CG 3.47Å; D499-Q505 PolarHBondContact O-NE2 2.85Å; D499-K540 WeakPolarHBondContact O-CE 3.32Å; D499-K540 PolarHBondContact O-NZ 3.42Å
500S96.5Very high97.2Very high29 Ų2919.7 Ų19.720%0.20310%0.1CC..SBendtrans-74.5-11.7176.248.70000113.6E332 D333 E334E332-S500 WeakPolarHBondContact CA-O 3.36Å; D333-S500 PolarHBondContact N-O 3.42Å; E334-S500 WeakPolarHBondContact CB-O 3.33Å; E334-S500 PolarHBondContact N-O 2.89Å
501N96Very high97.2Very high6 Ų619.8 Ų19.83%0.03210%0.101CC..SBendtrans-103.7129175.3-174.9-85.8000111.6V330 E331 D333 A460 D499 R503 V504 Q505V330-N501 PolarHBondContact O-ND2 3.5Å; E331-N501 WeakPolarHBondContact O-CB 3.18Å; D333-N501 VanDerWaalsContact OD1-CA 3.3Å; D333-N501 WeakPolarHBondContact OD1-CA 3.39Å; A460-N501 HydrophobicContact CB-CB 3.91Å; D499-N501 PolarHBondContact O-N 3Å; D499-N501 WeakPolarHBondContact OD1-CB 3.34Å; D499-N501 PolarHBondContact OD1-N 3.47Å; N501-R503 PolarHBondContact O-N 3.34Å; N501-R503 WeakPolarHBondContact OD1-CA 3.45Å; N501-R503 WeakPolarHBondContact OD1-CB 3.26Å; N501-R503 PolarHBondContact OD1-N 3.13Å; N501-V504 HydrophobicContact CB-CB 4.18Å; N501-V504 HydrophobicContact CB-CG2 3.87Å; N501-V504 PolarHBondContact O-N 2.89Å; N501-V504 PolarHBondContact OD1-N 3.21Å; N501-V504 VanDerWaalsContact OD1-N 3.15Å; N501-Q505 WeakPolarHBondContact O-CG 3.47Å; N501-Q505 PolarHBondContact O-N 3.46Å
502K94.2Very high97.2Very high20 Ų2018.1 Ų18.19%0.0879%0.09CC..Hα-helixtrans-64.3-38.4-178.1-68.3173.8177-172.40114.1D333 I336 D338 V504 Q505 E506 Q542 N545D333-K502 WeakPolarHBondContact O-CE 3.45Å; D333-K502 WeakPolarHBondContact OD1-CG 3.25Å; D333-K502 PolarHBondContact OD1-N 2.99Å; I336-K502 WeakPolarHBondContact O-CE 3.11Å; I336-K502 PolarHBondContact O-NZ 2.91Å; D338-K502 IonicContact OD1-NZ 2.72Å; D338-K502 PolarHBondContact OD1-NZ 3.2Å; K502-V504 VanDerWaalsContact C-N 3.27Å; K502-V504 PolarHBondContact O-N 3.16Å; K502-Q505 WeakPolarHBondContact O-CB 3.14Å; K502-Q505 PolarHBondContact O-N 2.85Å; K502-E506 WeakPolarHBondContact O-CB 3.38Å; K502-E506 PolarHBondContact O-N 3.39Å; K502-Q542 VanDerWaalsContact CE-CG 3.49Å; K502-N545 WeakPolarHBondContact CA-ND2 3.38Å; K502-N545 PolarHBondContact O-ND2 3.22Å
503R92.5Very high97.1Very high43 Ų4316.6 Ų16.616%0.1628%0.084CC..Hα-helixtrans-64.2-37.7176.2172.8-179.3-86.8102.24.3110.5L326 D375 T377 S464 N501 E506 A507L326-R503 PolarHBondContact O-NH1 3.32Å; D375-R503 IonicContact OD1-CZ 3.94Å; D375-R503 VanDerWaalsContact OD1-CZ 3.26Å; D375-R503 IonicContact OD1-NE 2.85Å; D375-R503 PolarHBondContact OD1-NE 2.67Å; D375-R503 IonicContact OD1-NH2 2.66Å; D375-R503 PolarHBondContact OD1-NH2 2.76Å; T377-R503 PolarHBondContact OG1-NH2 2.93Å; S464-R503 WeakPolarHBondContact OG-CG 3.47Å; N501-R503 PolarHBondContact O-N 3.34Å; N501-R503 WeakPolarHBondContact OD1-CA 3.45Å; N501-R503 WeakPolarHBondContact OD1-CB 3.26Å; N501-R503 PolarHBondContact OD1-N 3.13Å; R503-E506 PolarHBondContact O-N 2.85Å; R503-A507 WeakPolarHBondContact O-CB 3.28Å; R503-A507 PolarHBondContact O-N 3.46Å
504V97.1Very high97Very high0 Ų018.3 Ų18.30%010%0.095CC..Hα-helixtrans-69.5-37.7175.4-176.80000111.8A460 R463 R496 D499 N501 K502 A508A460-V504 HydrophobicContact CB-CG2 3.81Å; A460-V504 VanDerWaalsContact O-CG2 3.25Å; A460-V504 WeakPolarHBondContact O-CG2 3.32Å; R463-V504 HydrophobicContact CB-CG1 3.83Å; R463-V504 HydrophobicContact CB-CG2 3.92Å; R496-V504 HydrophobicContact CB-CG1 4.12Å; R496-V504 HydrophobicContact CG-CG1 4.36Å; D499-V504 HydrophobicContact CB-CB 3.85Å; D499-V504 HydrophobicContact CB-CG1 3.62Å; D499-V504 VanDerWaalsContact CG-CG1 3.47Å; D499-V504 WeakPolarHBondContact OD2-CG1 3.36Å; N501-V504 HydrophobicContact CB-CB 4.18Å; N501-V504 HydrophobicContact CB-CG2 3.87Å; N501-V504 PolarHBondContact O-N 2.89Å; N501-V504 PolarHBondContact OD1-N 3.21Å; N501-V504 VanDerWaalsContact OD1-N 3.15Å; K502-V504 VanDerWaalsContact C-N 3.27Å; K502-V504 PolarHBondContact O-N 3.16Å; V504-A508 WeakPolarHBondContact O-CB 3.15Å; V504-A508 PolarHBondContact O-N 3.46Å
505Q97.4Very high96.9Very high0 Ų018.3 Ų18.30%010%0.095CC..Hα-helixtrans-58.8-50.1173.3-69.1168.28.100111.2D499 N501 K502 A508 C509 Y541 N545D499-Q505 HydrophobicContact CB-CG 4.4Å; D499-Q505 WeakPolarHBondContact O-CG 3.47Å; D499-Q505 PolarHBondContact O-NE2 2.85Å; N501-Q505 WeakPolarHBondContact O-CG 3.47Å; N501-Q505 PolarHBondContact O-N 3.46Å; K502-Q505 WeakPolarHBondContact O-CB 3.14Å; K502-Q505 PolarHBondContact O-N 2.85Å; Q505-A508 PolarHBondContact O-N 3.36Å; Q505-C509 WeakPolarHBondContact O-CB 3.15Å; Q505-C509 PolarHBondContact O-N 3.26Å; Q505-Y541 HydrophobicContact CB-CE1 3.65Å; Q505-Y541 HydrophobicContact CG-CD1 4.4Å; Q505-Y541 HydrophobicContact CG-CE1 3.68Å; Q505-Y541 PolarHBondContact O-OH 2.98Å; Q505-N545 WeakPolarHBondContact CB-ND2 3.36Å; Q505-N545 PolarHBondContact OE1-ND2 3.08Å
506E95.2Very high96.9Very high16 Ų1614.2 Ų14.28%0.0758%0.077CC..Hα-helixtrans-54.8-60.3175.4159.4165-141.600111.2K502 R503 A508 C509 S510 K544 I548K502-E506 WeakPolarHBondContact O-CB 3.38Å; K502-E506 PolarHBondContact O-N 3.39Å; R503-E506 PolarHBondContact O-N 2.85Å; E506-A508 VanDerWaalsContact C-N 3.25Å; E506-A508 PolarHBondContact O-N 3.48Å; E506-C509 WeakPolarHBondContact O-CB 3.48Å; E506-C509 PolarHBondContact O-N 3.02Å; E506-S510 PolarHBondContact O-N 3.34Å; E506-S510 PolarHBondContact O-OG 2.95Å; E506-K544 WeakPolarHBondContact OE1-CE 3.42Å; E506-K544 IonicContact OE1-NZ 2.74Å; E506-K544 PolarHBondContact OE1-NZ 2.87Å; E506-K544 WeakPolarHBondContact OE2-CE 3.37Å; E506-K544 IonicContact OE2-NZ 3.61Å; E506-K544 PolarHBondContact OE2-NZ 2.91Å; E506-I548 HydrophobicContact CB-CD1 3.84Å; E506-I548 HydrophobicContact CG-CD1 3.52Å
507A96.3Very high96.8Very high9 Ų917.6 Ų17.67%0.07410%0.095CC..Hα-helixtrans-60-35.1-177.800000112.9S464 C467 R503 A511S464-A507 WeakPolarHBondContact OG-CB 3.27Å; C467-A507 HydrophobicContact CB-CB 3.97Å; C467-A507 WeakPolarHBondContact CB-O 3.34Å; R503-A507 WeakPolarHBondContact O-CB 3.28Å; R503-A507 PolarHBondContact O-N 3.46Å; A507-A511 WeakPolarHBondContact O-CB 3.34Å; A507-A511 PolarHBondContact O-N 2.86Å
508A98.5Very high96.6Very high0 Ų021.2 Ų21.20%011%0.112CC..Hα-helixtrans-71.4-36176.300000112.8R496 I497 V504 Q505 E506 F512R496-A508 VanDerWaalsContact C-CB 3.41Å; R496-A508 HydrophobicContact CB-CB 3.46Å; R496-A508 VanDerWaalsContact CB-CB 3.46Å; I497-A508 HydrophobicContact CG1-CB 4.03Å; V504-A508 WeakPolarHBondContact O-CB 3.15Å; V504-A508 PolarHBondContact O-N 3.46Å; Q505-A508 PolarHBondContact O-N 3.36Å; E506-A508 VanDerWaalsContact C-N 3.25Å; E506-A508 PolarHBondContact O-N 3.48Å; A508-F512 VanDerWaalsContact O-CB 3.25Å; A508-F512 WeakPolarHBondContact O-CB 3.22Å; A508-F512 PolarHBondContact O-N 2.86Å
509C97.4Very high96.6Very high0 Ų019.3 Ų19.30%010%0.102CC..Hα-helixtrans-68.9-47.3177.7-159.30000110.5Q505 E506 F512 A513 I548 A552Q505-C509 WeakPolarHBondContact O-CB 3.15Å; Q505-C509 PolarHBondContact O-N 3.26Å; E506-C509 WeakPolarHBondContact O-CB 3.48Å; E506-C509 PolarHBondContact O-N 3.02Å; C509-F512 WeakPolarHBondContact O-CB 3.45Å; C509-F512 PolarHBondContact O-N 3.1Å; C509-F512 VanDerWaalsContact O-N 3.12Å; C509-A513 PolarHBondContact O-N 3.18Å; C509-I548 HydrophobicContact CB-CG2 3.8Å; C509-A552 VanDerWaalsContact SG-CB 3.52Å
510S95.9Very high96.4Very high35 Ų3520 Ų2025%0.24511%0.107CC..Hα-helixtrans-60.5-47.1175.4-49.10000111.6E506 F512 A513 T514E506-S510 PolarHBondContact O-N 3.34Å; E506-S510 PolarHBondContact O-OG 2.95Å; S510-F512 PolarHBondContact O-N 3.17Å; S510-A513 WeakPolarHBondContact O-CB 3.42Å; S510-A513 PolarHBondContact O-N 3.19Å; S510-A513 VanDerWaalsContact O-N 3.16Å; S510-T514 PolarHBondContact O-N 3.11Å; S510-T514 VanDerWaalsContact O-N 3.16Å; S510-T514 PolarHBondContact O-OG1 2.88Å
511A97.9Very high96.3Very high3 Ų321.5 Ų21.53%0.02512%0.115CC..Hα-helixtrans-62.9-27.9176.600000113.4C467 L493 A507 L515C467-A511 HydrophobicContact CB-CB 4Å; C467-A511 WeakPolarHBondContact O-CB 3.45Å; L493-A511 HydrophobicContact CD2-CB 4.18Å; A507-A511 WeakPolarHBondContact O-CB 3.34Å; A507-A511 PolarHBondContact O-N 2.86Å; A511-L515 PolarHBondContact O-N 3.43Å
512F98.3Very high96.3Very high0 Ų025.8 Ų25.80%014%0.135CC..Hα-helixtrans-77.4-36.5176.3-157.7-94.8000111.9M490 L493 L494 I497 A508 C509 S510 L515 E516 I530M490-F512 HydrophobicContact CB-CE2 4.31Å; M490-F512 HydrophobicContact CG-CE2 3.61Å; M490-F512 HydrophobicContact CG-CZ 3.8Å; L493-F512 HydrophobicContact CB-CD2 3.8Å; L493-F512 HydrophobicContact CB-CE2 4.43Å; L493-F512 HydrophobicContact CD1-CD2 4.14Å; L494-F512 HydrophobicContact CD1-CE2 4.33Å; L494-F512 HydrophobicContact CD1-CZ 4.33Å; L494-F512 HydrophobicContact CD2-CD2 4.45Å; L494-F512 HydrophobicContact CD2-CE1 4.17Å; L494-F512 HydrophobicContact CD2-CE2 3.8Å; L494-F512 HydrophobicContact CD2-CZ 3.66Å; L494-F512 HydrophobicContact CG-CD2 4.46Å; L494-F512 HydrophobicContact CG-CE2 3.68Å; L494-F512 HydrophobicContact CG-CZ 3.94Å; I497-F512 HydrophobicContact CD1-CB 3.85Å; I497-F512 HydrophobicContact CD1-CD1 4.24Å; I497-F512 HydrophobicContact CD1-CD2 4.27Å; I497-F512 HydrophobicContact CD1-CG 3.86Å; A508-F512 VanDerWaalsContact O-CB 3.25Å; A508-F512 WeakPolarHBondContact O-CB 3.22Å; A508-F512 PolarHBondContact O-N 2.86Å; C509-F512 WeakPolarHBondContact O-CB 3.45Å; C509-F512 PolarHBondContact O-N 3.1Å; C509-F512 VanDerWaalsContact O-N 3.12Å; S510-F512 PolarHBondContact O-N 3.17Å; F512-L515 HydrophobicContact CD2-CD2 4.29Å; F512-L515 HydrophobicContact CE2-CD2 4.21Å; F512-L515 CarbonylContact O-C 3.52Å; F512-L515 WeakPolarHBondContact O-CA 3.37Å; F512-L515 WeakPolarHBondContact O-CB 3.49Å; F512-L515 PolarHBondContact O-N 2.86Å; F512-L515 VanDerWaalsContact O-N 3.1Å; F512-E516 HydrophobicContact CD1-CG 3.94Å; F512-E516 WeakPolarHBondContact CD1-OE1 3.42Å; F512-E516 HydrophobicContact CE1-CG 3.92Å; F512-E516 WeakPolarHBondContact CE1-OE1 3.35Å; F512-E516 VanDerWaalsContact O-CG 3.3Å; F512-E516 WeakPolarHBondContact O-CG 3.49Å; F512-E516 PolarHBondContact O-N 2.95Å; F512-I530 HydrophobicContact CE1-CD1 4.5Å; F512-I530 HydrophobicContact CE1-CG1 4.45Å; F512-I530 HydrophobicContact CE1-CG2 3.7Å; F512-I530 HydrophobicContact CZ-CD1 4.14Å; F512-I530 HydrophobicContact CZ-CG1 3.99Å; F512-I530 HydrophobicContact CZ-CG2 4.06Å
513A96.5Very high96.4Very high5 Ų524.8 Ų24.84%0.04113%0.131CC..Hα-helixtrans-58.8-46.8171.800000111.2C509 S510 L515 E516 E517 A552 T555C509-A513 PolarHBondContact O-N 3.18Å; S510-A513 WeakPolarHBondContact O-CB 3.42Å; S510-A513 PolarHBondContact O-N 3.19Å; S510-A513 VanDerWaalsContact O-N 3.16Å; A513-L515 VanDerWaalsContact C-N 3.27Å; A513-L515 PolarHBondContact O-N 2.83Å; A513-E516 WeakPolarHBondContact O-CB 3.24Å; A513-E516 PolarHBondContact O-N 3.09Å; A513-E517 PolarHBondContact O-N 3.05Å; A513-E517 VanDerWaalsContact O-N 3.08Å; A513-A552 HydrophobicContact CB-CB 4.4Å; A513-T555 HydrophobicContact CB-CG2 4.27Å
514T96.4Very high96.7Very high39 Ų3924.1 Ų24.124%0.23913%0.132CC..Hα-helixtrans-58.5-39.3172.4-46.40000112.2A474 S510 E516 E517 E518A474-T514 HydrophobicContact CB-CG2 4.35Å; S510-T514 PolarHBondContact O-N 3.11Å; S510-T514 VanDerWaalsContact O-N 3.16Å; S510-T514 PolarHBondContact O-OG1 2.88Å; T514-E516 VanDerWaalsContact C-N 3.31Å; T514-E516 PolarHBondContact O-N 3.29Å; T514-E517 PolarHBondContact O-N 2.98Å; T514-E518 WeakPolarHBondContact O-CG 3.11Å; T514-E518 PolarHBondContact O-N 3.24Å; T514-E518 VanDerWaalsContact O-N 3.12Å
515L97.9Very high96.7Very high1 Ų129 Ų291%0.00516%0.163CC..Hα-helixtrans-66.7-34177.1-173.765.5000112A474 V478 L486 L489 M490 L493 A511 F512 A513 A519A474-L515 HydrophobicContact CB-CD1 4.22Å; V478-L515 HydrophobicContact CG2-CD1 4.15Å; L486-L515 HydrophobicContact CD1-CD1 3.69Å; L486-L515 HydrophobicContact CD1-CD2 4.11Å; L486-L515 HydrophobicContact CD1-CG 4.1Å; L489-L515 HydrophobicContact CD2-CD1 4.11Å; L489-L515 HydrophobicContact CD2-CD2 4.41Å; L489-L515 HydrophobicContact CG-CD2 4.37Å; M490-L515 HydrophobicContact CB-CD2 4.1Å; L493-L515 HydrophobicContact CD1-CD2 4.11Å; A511-L515 PolarHBondContact O-N 3.43Å; F512-L515 HydrophobicContact CD2-CD2 4.29Å; F512-L515 HydrophobicContact CE2-CD2 4.21Å; F512-L515 CarbonylContact O-C 3.52Å; F512-L515 WeakPolarHBondContact O-CA 3.37Å; F512-L515 WeakPolarHBondContact O-CB 3.49Å; F512-L515 PolarHBondContact O-N 2.86Å; F512-L515 VanDerWaalsContact O-N 3.1Å; A513-L515 VanDerWaalsContact C-N 3.27Å; A513-L515 PolarHBondContact O-N 2.83Å; L515-A519 WeakPolarHBondContact O-CB 3.33Å; L515-A519 PolarHBondContact O-N 3.29Å
516E97.9Very high96.7Very high0 Ų031 Ų310%017%0.171CC..Hα-helixtrans-64.9-46.4175.9-70.9165.716700111.6F512 A513 T514 E518 A519 C520 L523 T555 L556 S559F512-E516 HydrophobicContact CD1-CG 3.94Å; F512-E516 WeakPolarHBondContact CD1-OE1 3.42Å; F512-E516 HydrophobicContact CE1-CG 3.92Å; F512-E516 WeakPolarHBondContact CE1-OE1 3.35Å; F512-E516 VanDerWaalsContact O-CG 3.3Å; F512-E516 WeakPolarHBondContact O-CG 3.49Å; F512-E516 PolarHBondContact O-N 2.95Å; A513-E516 WeakPolarHBondContact O-CB 3.24Å; A513-E516 PolarHBondContact O-N 3.09Å; T514-E516 VanDerWaalsContact C-N 3.31Å; T514-E516 PolarHBondContact O-N 3.29Å; E516-E518 PolarHBondContact O-N 3.22Å; E516-A519 PolarHBondContact O-N 3Å; E516-C520 PolarHBondContact O-N 2.82Å; E516-L523 HydrophobicContact CB-CD1 4.1Å; E516-L523 HydrophobicContact CG-CD1 3.69Å; E516-T555 HydrophobicContact CB-CG2 4.08Å; E516-L556 HydrophobicContact CG-CB 4.43Å; E516-L556 HydrophobicContact CG-CD1 3.96Å; E516-L556 WeakPolarHBondContact OE1-CB 3.31Å; E516-L556 PolarHBondContact OE2-N 2.89Å; E516-L556 VanDerWaalsContact OE2-N 3.09Å; E516-S559 WeakPolarHBondContact O-CB 3.46Å; E516-S559 PolarHBondContact O-OG 2.94Å
517E95.5Very high96.8Very high110 Ų11030.3 Ų30.351%0.51417%0.167SC..Hα-helixtrans-60.1-45.9177-67.9170.4-176.200111.6A513 T514 C520 T555A513-E517 PolarHBondContact O-N 3.05Å; A513-E517 VanDerWaalsContact O-N 3.08Å; T514-E517 PolarHBondContact O-N 2.98Å; E517-C520 PolarHBondContact O-SG 3.38Å; E517-T555 HydrophobicContact CG-CG2 3.43Å; E517-T555 VanDerWaalsContact CG-CG2 3.43Å
518E95.8Very high96.9Very high76 Ų7632.3 Ų32.336%0.35518%0.184SC..Hα-helixtrans-71.2-39.1-179.9-70.3-69.2169.400112.4A474 H475 V478 T514 E516A474-E518 HydrophobicContact CB-CB 4.36Å; A474-E518 HydrophobicContact CB-CG 4.02Å; H475-E518 WeakPolarHBondContact CA-OE2 3.26Å; H475-E518 WeakPolarHBondContact CB-OE2 3.34Å; H475-E518 IonicContact CE1-OE2 3.22Å; H475-E518 IonicContact CG-OE2 3.82Å; H475-E518 IonicContact ND1-OE2 3.56Å; H475-E518 PolarHBondContact ND1-OE2 3.11Å; V478-E518 WeakPolarHBondContact CG1-O 3.16Å; V478-E518 HydrophobicContact CG2-CB 3.98Å; T514-E518 WeakPolarHBondContact O-CG 3.11Å; T514-E518 PolarHBondContact O-N 3.24Å; T514-E518 VanDerWaalsContact O-N 3.12Å; E516-E518 PolarHBondContact O-N 3.22Å
519A96.4Very high96.9Very high4 Ų436.6 Ų36.63%0.03320%0.201CC..Hα-helixtrans-85.5-28.2-173.600000113.8V478 L486 L515 E516 T521 E522 L523V478-A519 HydrophobicContact CG1-CB 4.44Å; V478-A519 HydrophobicContact CG2-CB 3.82Å; L486-A519 HydrophobicContact CD1-CB 4.34Å; L486-A519 HydrophobicContact CD2-CB 4.47Å; L515-A519 WeakPolarHBondContact O-CB 3.33Å; L515-A519 PolarHBondContact O-N 3.29Å; E516-A519 PolarHBondContact O-N 3Å; A519-T521 PolarHBondContact O-N 3.16Å; A519-T521 VanDerWaalsContact O-N 3.11Å; A519-E522 HydrophobicContact CB-CB 4.49Å; A519-E522 VanDerWaalsContact O-CB 3.28Å; A519-E522 WeakPolarHBondContact O-CB 3.44Å; A519-E522 PolarHBondContact O-N 2.84Å; A519-L523 HydrophobicContact CB-CD1 4.13Å; A519-L523 HydrophobicContact CB-CD2 3.83Å; A519-L523 HydrophobicContact CB-CG 3.65Å
520C95.1Very high96.9Very high24 Ų2436.6 Ų36.616%0.16220%0.201CC..G310 helixtrans44-117.4179.6-74.80000112.4E516 E517 E522 L523E516-C520 PolarHBondContact O-N 2.82Å; E517-C520 PolarHBondContact O-SG 3.38Å; C520-E522 VanDerWaalsContact C-N 3.26Å; C520-E522 PolarHBondContact O-N 3.35Å; C520-L523 PolarHBondContact O-N 3.21Å
521T95.1Very high97Very high61 Ų6134.9 Ų34.937%0.37419%0.189SC..G310 helixtrans-71.8-13.1-175.560.70000114.4A519 L523 V524A519-T521 PolarHBondContact O-N 3.16Å; A519-T521 VanDerWaalsContact O-N 3.11Å; T521-L523 PolarHBondContact O-N 3.19Å; T521-V524 VanDerWaalsContact O-CB 3.32Å; T521-V524 WeakPolarHBondContact O-CB 3.43Å; T521-V524 WeakPolarHBondContact O-CG2 3.39Å; T521-V524 PolarHBondContact O-N 3.38Å; T521-V524 VanDerWaalsContact O-N 3.15Å
522E95.3Very high97.1Very high95 Ų9539.6 Ų39.644%0.44421%0.214SC..G310 helixtrans-66.6-16.8173.2-65.7-65.6143.800112.3L486 A519 C520 P525L486-E522 HydrophobicContact CD2-CB 4.15Å; A519-E522 HydrophobicContact CB-CB 4.49Å; A519-E522 VanDerWaalsContact O-CB 3.28Å; A519-E522 WeakPolarHBondContact O-CB 3.44Å; A519-E522 PolarHBondContact O-N 2.84Å; C520-E522 VanDerWaalsContact C-N 3.26Å; C520-E522 PolarHBondContact O-N 3.35Å; E522-P525 VanDerWaalsContact O-CD 3.29Å; E522-P525 WeakPolarHBondContact O-CD 3.49Å
523L97Very high97.1Very high0 Ų039.9 Ų39.90%022%0.216CC..G310 helixtrans-80.9-14.9175-63.3-176.3000114.1L486 M490 E516 A519 C520 T521 P525 Y526 L527 I530 L556 V560L486-L523 HydrophobicContact CD1-CD2 4.42Å; M490-L523 HydrophobicContact SD-CD2 4.13Å; E516-L523 HydrophobicContact CB-CD1 4.1Å; E516-L523 HydrophobicContact CG-CD1 3.69Å; A519-L523 HydrophobicContact CB-CD1 4.13Å; A519-L523 HydrophobicContact CB-CD2 3.83Å; A519-L523 HydrophobicContact CB-CG 3.65Å; C520-L523 PolarHBondContact O-N 3.21Å; T521-L523 PolarHBondContact O-N 3.19Å; L523-P525 VanDerWaalsContact C-N 3.34Å; L523-Y526 WeakPolarHBondContact O-CA 3.4Å; L523-Y526 PolarHBondContact O-N 3.19Å; L523-L527 PolarHBondContact O-N 3.29Å; L523-I530 HydrophobicContact CB-CD1 4.07Å; L523-I530 HydrophobicContact CD1-CD1 4.34Å; L523-I530 HydrophobicContact CD2-CD1 4.26Å; L523-I530 HydrophobicContact CG-CD1 4.46Å; L523-L556 HydrophobicContact CD1-CD1 4.27Å; L523-V560 HydrophobicContact CB-CG1 4.37Å
524V97.5Very high97.2Very high29 Ų2939.6 Ų39.618%0.17621%0.214CC..G310 helixtrans-52.1-42.2-176.6173.60000113.5T521 Y526 L527 H563T521-V524 VanDerWaalsContact O-CB 3.32Å; T521-V524 WeakPolarHBondContact O-CB 3.43Å; T521-V524 WeakPolarHBondContact O-CG2 3.39Å; T521-V524 PolarHBondContact O-N 3.38Å; T521-V524 VanDerWaalsContact O-N 3.15Å; V524-Y526 PolarHBondContact O-N 3.2Å; V524-L527 HydrophobicContact CB-CD1 4.47Å; V524-L527 HydrophobicContact CG1-CD1 4.42Å; V524-L527 HydrophobicContact CG2-CD1 4.44Å; V524-H563 HydrophobicContact CG1-CB 4.2Å; V524-H563 HydrophobicContact CG2-CB 3.74Å; V524-H563 VanDerWaalsContact CG2-CD2 3.49Å; V524-H563 WeakPolarHBondContact CG2-CD2 3.44Å
525P96.8Very high97.2Very high101 Ų10139.6 Ų39.666%0.65621%0.214SC*.G310 helixtrans-63.3-19.4176.7-22.535.6000114.5E522 L523E522-P525 VanDerWaalsContact O-CD 3.29Å; E522-P525 WeakPolarHBondContact O-CD 3.49Å; L523-P525 VanDerWaalsContact C-N 3.34Å
526Y97.4Very high97.2Very high44 Ų4445 Ų4517%0.17324%0.237CC..G310 helixtrans-109.8-4.8-172.3-49.1-69.5000113.7K487 M490 L523 V524 A528 Y529 I530K487-Y526 HydrophobicContact CD-CE1 4.17Å; K487-Y526 HydrophobicContact CG-CE1 4.27Å; M490-Y526 HydrophobicContact CE-CD1 3.69Å; M490-Y526 HydrophobicContact CE-CD2 4.03Å; M490-Y526 HydrophobicContact CE-CE1 4.31Å; M490-Y526 HydrophobicContact CE-CG 3.53Å; M490-Y526 VanDerWaalsContact SD-CB 3.55Å; M490-Y526 HydrophobicContact SD-CD1 4.49Å; M490-Y526 HydrophobicContact SD-CD2 3.89Å; M490-Y526 HydrophobicContact SD-CG 3.73Å; L523-Y526 WeakPolarHBondContact O-CA 3.4Å; L523-Y526 PolarHBondContact O-N 3.19Å; V524-Y526 PolarHBondContact O-N 3.2Å; Y526-A528 PolarHBondContact O-N 2.74Å; Y526-Y529 PolarHBondContact O-N 3.49Å; Y526-I530 PolarHBondContact O-N 3.47Å; Y526-I530 VanDerWaalsContact O-N 3.12Å
527L98.1Very high97.2Very high0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-47-40.7-176.2-79.9174.1000114.6L523 V524 Y529 I530 L531 L556 V560 H563 L564 Y569L523-L527 PolarHBondContact O-N 3.29Å; V524-L527 HydrophobicContact CB-CD1 4.47Å; V524-L527 HydrophobicContact CG1-CD1 4.42Å; V524-L527 HydrophobicContact CG2-CD1 4.44Å; L527-Y529 VanDerWaalsContact C-N 3.29Å; L527-Y529 PolarHBondContact O-N 2.96Å; L527-I530 PolarHBondContact O-N 3.4Å; L527-L531 VanDerWaalsContact O-CB 3.3Å; L527-L531 WeakPolarHBondContact O-CB 3.32Å; L527-L531 WeakPolarHBondContact O-CG 3.34Å; L527-L531 PolarHBondContact O-N 2.96Å; L527-L556 HydrophobicContact CD2-CD1 4.05Å; L527-L556 HydrophobicContact CD2-CD2 4.34Å; L527-L556 HydrophobicContact CD2-CG 4.41Å; L527-V560 HydrophobicContact CD1-CG2 4.38Å; L527-V560 HydrophobicContact CD2-CG1 4.11Å; L527-V560 HydrophobicContact CD2-CG2 4.13Å; L527-H563 HydrophobicContact CD1-CB 4.28Å; L527-L564 HydrophobicContact CD2-CD1 4.48Å; L527-Y569 HydrophobicContact CB-CE1 4.34Å; L527-Y569 HydrophobicContact CB-CE2 3.94Å; L527-Y569 HydrophobicContact CD1-CD2 4.38Å; L527-Y569 HydrophobicContact CD1-CE2 3.86Å
528A97.9Very high97.3Very high52 Ų5240.9 Ų40.943%0.4322%0.217SC..Hα-helixtrans-59.7-40.2178.800000112.5Y526 D532 Y569Y526-A528 PolarHBondContact O-N 2.74Å; A528-D532 WeakPolarHBondContact O-CB 3.29Å; A528-D532 PolarHBondContact O-N 3.07Å; A528-D532 VanDerWaalsContact O-N 3.16Å; A528-Y569 HydrophobicContact CB-CE1 4.01Å
529Y98Very high97.3Very high89 Ų8941.6 Ų41.635%0.34923%0.231SC..Hα-helixtrans-77.3-38.7-179.8179.5-134.8000112T491 L494 Y526 L527 T533T491-Y529 HydrophobicContact CG2-CE1 4.3Å; L494-Y529 HydrophobicContact CB-CE1 4.41Å; L494-Y529 HydrophobicContact CD1-CD1 3.51Å; L494-Y529 HydrophobicContact CD1-CE1 3.41Å; L494-Y529 VanDerWaalsContact CD1-CE1 3.41Å; L494-Y529 HydrophobicContact CD1-CG 4.28Å; Y526-Y529 PolarHBondContact O-N 3.49Å; L527-Y529 VanDerWaalsContact C-N 3.29Å; L527-Y529 PolarHBondContact O-N 2.96Å; Y529-T533 PolarHBondContact O-N 3.42Å; Y529-T533 PolarHBondContact O-OG1 3.47Å
530I98.5Very high97.2Very high0 Ų043 Ų430%024%0.236CC..Hα-helixtrans-59.7-54.8175.3-61.9172.6000109.5M490 L494 F512 L523 Y526 L527 D532 T533 L534 L556M490-I530 HydrophobicContact SD-CD1 3.95Å; M490-I530 HydrophobicContact SD-CG1 4.11Å; L494-I530 HydrophobicContact CD1-CG1 4.17Å; L494-I530 HydrophobicContact CD2-CG2 4.42Å; F512-I530 HydrophobicContact CE1-CD1 4.5Å; F512-I530 HydrophobicContact CE1-CG1 4.45Å; F512-I530 HydrophobicContact CE1-CG2 3.7Å; F512-I530 HydrophobicContact CZ-CD1 4.14Å; F512-I530 HydrophobicContact CZ-CG1 3.99Å; F512-I530 HydrophobicContact CZ-CG2 4.06Å; L523-I530 HydrophobicContact CB-CD1 4.07Å; L523-I530 HydrophobicContact CD1-CD1 4.34Å; L523-I530 HydrophobicContact CD2-CD1 4.26Å; L523-I530 HydrophobicContact CG-CD1 4.46Å; Y526-I530 PolarHBondContact O-N 3.47Å; Y526-I530 VanDerWaalsContact O-N 3.12Å; L527-I530 PolarHBondContact O-N 3.4Å; I530-D532 PolarHBondContact O-N 3.14Å; I530-T533 WeakPolarHBondContact O-CB 3.38Å; I530-T533 PolarHBondContact O-N 2.86Å; I530-T533 VanDerWaalsContact O-N 3.11Å; I530-L534 HydrophobicContact CG2-CD1 3.84Å; I530-L534 HydrophobicContact CG2-CG 4.24Å; I530-L534 WeakPolarHBondContact O-CG 3.35Å; I530-L534 PolarHBondContact O-N 3.21Å; I530-L556 HydrophobicContact CG2-CD1 4.33Å; I530-L556 HydrophobicContact CG2-CD2 3.79Å
531L98.5Very high97.2Very high0 Ų042.5 Ų42.50%023%0.231CC..Hα-helixtrans-62.8-38.5-178.6-66.9172.5000112.7L527 T533 L534 V535 L556 L564 Y569 M572 L573L527-L531 VanDerWaalsContact O-CB 3.3Å; L527-L531 WeakPolarHBondContact O-CB 3.32Å; L527-L531 WeakPolarHBondContact O-CG 3.34Å; L527-L531 PolarHBondContact O-N 2.96Å; L531-T533 VanDerWaalsContact C-N 3.26Å; L531-T533 PolarHBondContact O-N 2.85Å; L531-L534 PolarHBondContact O-N 3.5Å; L531-V535 WeakPolarHBondContact O-CB 3.35Å; L531-V535 WeakPolarHBondContact O-CG2 3.49Å; L531-V535 PolarHBondContact O-N 2.91Å; L531-L556 HydrophobicContact CD2-CD2 3.81Å; L531-L564 HydrophobicContact CD1-CD1 3.79Å; L531-L564 HydrophobicContact CD2-CD1 4.09Å; L531-L564 HydrophobicContact CG-CD1 4.45Å; L531-Y569 HydrophobicContact CD1-CD1 3.64Å; L531-Y569 HydrophobicContact CD1-CD2 4.37Å; L531-Y569 HydrophobicContact CD1-CE1 4.48Å; L531-Y569 HydrophobicContact CD1-CG 3.6Å; L531-M572 HydrophobicContact CB-CE 3.88Å; L531-L573 HydrophobicContact CD2-CD1 4.35Å; L531-L573 HydrophobicContact CD2-CD2 4.44Å
532D98.3Very high97.1Very high101 Ų10142.2 Ų42.254%0.5423%0.225SC..Hα-helixtrans-58.9-41.8175.5-172.468.3000111.3A528 I530 F536 M572A528-D532 WeakPolarHBondContact O-CB 3.29Å; A528-D532 PolarHBondContact O-N 3.07Å; A528-D532 VanDerWaalsContact O-N 3.16Å; I530-D532 PolarHBondContact O-N 3.14Å; D532-F536 WeakPolarHBondContact O-CB 3.22Å; D532-F536 PolarHBondContact O-N 3.47Å; D532-M572 HydrophobicContact CB-CE 3.82Å; D532-M572 VanDerWaalsContact N-CE 3.33Å
533T98.6Very high96.9Very high6 Ų640.3 Ų40.34%0.03722%0.217CC..Hα-helixtrans-69-51.2178.4-53.40000111.7L494 I497 L498 Y529 I530 L531 V535 F536 A537L494-T533 HydrophobicContact CB-CG2 3.93Å; L494-T533 HydrophobicContact CD2-CG2 3.8Å; L494-T533 HydrophobicContact CG-CG2 4.46Å; L494-T533 WeakPolarHBondContact O-CG2 3.45Å; I497-T533 HydrophobicContact CB-CG2 4.39Å; I497-T533 HydrophobicContact CG2-CG2 4.14Å; L498-T533 HydrophobicContact CD1-CG2 3.86Å; L498-T533 HydrophobicContact CD2-CG2 4.25Å; L498-T533 HydrophobicContact CG-CG2 3.78Å; Y529-T533 PolarHBondContact O-N 3.42Å; Y529-T533 PolarHBondContact O-OG1 3.47Å; I530-T533 WeakPolarHBondContact O-CB 3.38Å; I530-T533 PolarHBondContact O-N 2.86Å; I530-T533 VanDerWaalsContact O-N 3.11Å; L531-T533 VanDerWaalsContact C-N 3.26Å; L531-T533 PolarHBondContact O-N 2.85Å; T533-V535 VanDerWaalsContact C-N 3.32Å; T533-V535 PolarHBondContact O-N 3.5Å; T533-F536 PolarHBondContact O-N 3Å; T533-F536 VanDerWaalsContact O-N 3.16Å; T533-A537 PolarHBondContact O-N 3.06Å
534L98.3Very high96.5Very high0 Ų042.3 Ų42.30%023%0.225CC..Hα-helixtrans-62-40.5-179.9-64180000111.3I497 I530 L531 F536 A537 F538 L549 I553 L556I497-L534 HydrophobicContact CD1-CD2 3.98Å; I497-L534 HydrophobicContact CG2-CD2 4.4Å; I530-L534 HydrophobicContact CG2-CD1 3.84Å; I530-L534 HydrophobicContact CG2-CG 4.24Å; I530-L534 WeakPolarHBondContact O-CG 3.35Å; I530-L534 PolarHBondContact O-N 3.21Å; L531-L534 PolarHBondContact O-N 3.5Å; L534-F536 PolarHBondContact O-N 3.2Å; L534-A537 WeakPolarHBondContact O-CB 3.49Å; L534-A537 PolarHBondContact O-N 3.27Å; L534-F538 WeakPolarHBondContact O-CD2 3.39Å; L534-L549 HydrophobicContact CB-CD1 4.24Å; L534-L549 HydrophobicContact CD2-CD1 3.82Å; L534-I553 HydrophobicContact CB-CG1 4.41Å; L534-I553 HydrophobicContact CD1-CG1 4.07Å; L534-L556 HydrophobicContact CD1-CD2 3.9Å
535V98Very high96.3Very high39 Ų3941 Ų4124%0.23622%0.218CC..Hα-helixtrans-64.9-39.7175.5169.30000111.2L531 T533 A537 F538 M572 P576L531-V535 WeakPolarHBondContact O-CB 3.35Å; L531-V535 WeakPolarHBondContact O-CG2 3.49Å; L531-V535 PolarHBondContact O-N 2.91Å; T533-V535 VanDerWaalsContact C-N 3.32Å; T533-V535 PolarHBondContact O-N 3.5Å; V535-A537 VanDerWaalsContact C-N 3.3Å; V535-A537 PolarHBondContact O-N 3.37Å; V535-F538 WeakPolarHBondContact O-CB 3.45Å; V535-F538 PolarHBondContact O-N 2.7Å; V535-M572 HydrophobicContact CG2-CB 4.45Å; V535-M572 WeakPolarHBondContact CG2-O 3.45Å; V535-P576 HydrophobicContact CG1-CG 4.25Å; V535-P576 HydrophobicContact CG2-CG 4.35Å
536F98Very high96.2Very high115 Ų11537 Ų3750%0.50419%0.19SC..Hα-helixtrans-65.8-34.1175.5-171.1-99.5000112.2L498 D532 T533 L534 F538 S539L498-F536 HydrophobicContact CD1-CD1 3.64Å; L498-F536 HydrophobicContact CD1-CE1 4.3Å; L498-F536 HydrophobicContact CD1-CG 4.46Å; L498-F536 HydrophobicContact CD2-CD1 3.7Å; L498-F536 HydrophobicContact CG-CD1 4.26Å; D532-F536 WeakPolarHBondContact O-CB 3.22Å; D532-F536 PolarHBondContact O-N 3.47Å; T533-F536 PolarHBondContact O-N 3Å; T533-F536 VanDerWaalsContact O-N 3.16Å; L534-F536 PolarHBondContact O-N 3.2Å; F536-F538 PolarHBondContact O-N 2.99Å; F536-S539 WeakPolarHBondContact O-CB 3.48Å; F536-S539 PolarHBondContact O-N 2.92Å; F536-S539 PolarHBondContact O-OG 3.05Å
537A98Very high96Very high0 Ų035.6 Ų35.60%019%0.186CC..Hα-helixtrans-58.3-32.1178.200000113.1I497 L498 T533 L534 V535 S539 K540 Y541 L549I497-A537 HydrophobicContact CG2-CB 4.04Å; L498-A537 HydrophobicContact CD2-CB 3.91Å; T533-A537 PolarHBondContact O-N 3.06Å; L534-A537 WeakPolarHBondContact O-CB 3.49Å; L534-A537 PolarHBondContact O-N 3.27Å; V535-A537 VanDerWaalsContact C-N 3.3Å; V535-A537 PolarHBondContact O-N 3.37Å; A537-S539 PolarHBondContact O-N 3Å; A537-S539 VanDerWaalsContact O-N 3.07Å; A537-K540 PolarHBondContact O-N 3.15Å; A537-Y541 HydrophobicContact CB-CD1 4.21Å; A537-Y541 HydrophobicContact CB-CD2 4.49Å; A537-Y541 HydrophobicContact CB-CE1 4Å; A537-Y541 HydrophobicContact CB-CE2 4.32Å; A537-Y541 HydrophobicContact CB-CG 4.47Å; A537-Y541 PolarHBondContact O-N 3.2Å; A537-L549 HydrophobicContact CB-CD1 4Å; A537-L549 HydrophobicContact CB-CD2 3.81Å
538F97Very high95.7Very high22 Ų2236.9 Ų36.910%0.09619%0.192CC..THydrogen-bonded Turntrans-54.5-28.9172.6-81.4-90.1000114.2L534 V535 F536 K540 L546 L549 Y550 I553 P576 L577 K580L534-F538 WeakPolarHBondContact O-CD2 3.39Å; V535-F538 WeakPolarHBondContact O-CB 3.45Å; V535-F538 PolarHBondContact O-N 2.7Å; F536-F538 PolarHBondContact O-N 2.99Å; F538-K540 VanDerWaalsContact C-N 3.34Å; F538-L546 HydrophobicContact CD1-CD1 3.77Å; F538-L546 HydrophobicContact CE1-CD1 3.91Å; F538-L549 HydrophobicContact CD1-CD2 4.34Å; F538-L549 HydrophobicContact CD2-CD2 3.69Å; F538-L549 HydrophobicContact CE1-CD2 4.47Å; F538-L549 HydrophobicContact CE2-CD2 3.86Å; F538-L549 HydrophobicContact CE2-CG 4.36Å; F538-L549 HydrophobicContact CG-CD2 3.95Å; F538-L549 HydrophobicContact CZ-CD2 4.23Å; F538-Y550 HydrophobicContact CE1-CD1 4.4Å; F538-Y550 AromaticContact CE1-CE1 3.69Å; F538-Y550 HydrophobicContact CE1-CE1 3.69Å; F538-Y550 HydrophobicContact CZ-CD1 4.38Å; F538-Y550 HydrophobicContact CZ-CE1 4.08Å; F538-I553 HydrophobicContact CE2-CD1 3.43Å; F538-I553 VanDerWaalsContact CE2-CD1 3.43Å; F538-I553 HydrophobicContact CZ-CD1 3.64Å; F538-P576 HydrophobicContact CB-CB 4.46Å; F538-P576 HydrophobicContact CD1-CB 4.11Å; F538-P576 HydrophobicContact CD2-CB 4Å; F538-P576 HydrophobicContact CD2-CG 4.31Å; F538-P576 HydrophobicContact CE1-CB 4.33Å; F538-P576 HydrophobicContact CE2-CB 4.21Å; F538-P576 HydrophobicContact CE2-CG 4.28Å; F538-P576 HydrophobicContact CG-CB 3.94Å; F538-P576 HydrophobicContact CZ-CB 4.39Å; F538-L577 HydrophobicContact CE1-CD2 4.43Å; F538-L577 HydrophobicContact CZ-CD2 3.8Å; F538-L577 HydrophobicContact CZ-CG 4.39Å; F538-K580 HydrophobicContact CD1-CG 4.18Å; F538-K580 HydrophobicContact CE1-CG 4.08Å
539S94.6Very high95.6Very high92 Ų9234.4 Ų34.464%0.64317%0.172SC*.THydrogen-bonded Turntrans-83.9-12.1179.674.30000113.6F536 A537F536-S539 WeakPolarHBondContact O-CB 3.48Å; F536-S539 PolarHBondContact O-N 2.92Å; F536-S539 PolarHBondContact O-OG 3.05Å; A537-S539 PolarHBondContact O-N 3Å; A537-S539 VanDerWaalsContact O-N 3.07Å
540K95Very high95.5Very high33 Ų3330.4 Ų30.414%0.14316%0.156CC..THydrogen-bonded Turntrans-113.4-35.6-172-166.9178.4171.7102.20112.5E334 L498 D499 A537 F538E334-K540 IonicContact OE1-NZ 3.95Å; E334-K540 PolarHBondContact OE1-NZ 2.89Å; E334-K540 WeakPolarHBondContact OE2-CE 3.49Å; E334-K540 VanDerWaalsContact OE2-CG 3.29Å; E334-K540 WeakPolarHBondContact OE2-CG 3.21Å; E334-K540 IonicContact OE2-NZ 2.9Å; E334-K540 PolarHBondContact OE2-NZ 3.14Å; L498-K540 VanDerWaalsContact C-CE 3.5Å; L498-K540 WeakPolarHBondContact O-CE 3.47Å; L498-K540 PolarHBondContact O-NZ 2.98Å; D499-K540 WeakPolarHBondContact O-CE 3.32Å; D499-K540 PolarHBondContact O-NZ 3.42Å; A537-K540 PolarHBondContact O-N 3.15Å; F538-K540 VanDerWaalsContact C-N 3.34Å
541Y95.7Very high95.3Very high14 Ų1434.5 Ų34.56%0.05518%0.178CC..  trans-71.4133.4-173.8-77.612.9000111.7I497 Q505 A537 N545 L549I497-Y541 WeakPolarHBondContact CG2-OH 3.24Å; I497-Y541 WeakPolarHBondContact O-CE1 3.31Å; I497-Y541 PolarHBondContact O-OH 2.93Å; Q505-Y541 HydrophobicContact CB-CE1 3.65Å; Q505-Y541 HydrophobicContact CG-CD1 4.4Å; Q505-Y541 HydrophobicContact CG-CE1 3.68Å; Q505-Y541 PolarHBondContact O-OH 2.98Å; A537-Y541 HydrophobicContact CB-CD1 4.21Å; A537-Y541 HydrophobicContact CB-CD2 4.49Å; A537-Y541 HydrophobicContact CB-CE1 4Å; A537-Y541 HydrophobicContact CB-CE2 4.32Å; A537-Y541 HydrophobicContact CB-CG 4.47Å; A537-Y541 PolarHBondContact O-N 3.2Å; Y541-N545 HydrophobicContact CD1-CB 4.25Å; Y541-N545 HydrophobicContact CD2-CB 3.52Å; Y541-N545 WeakPolarHBondContact CD2-O 3.28Å; Y541-N545 HydrophobicContact CE2-CB 3.88Å; Y541-N545 WeakPolarHBondContact CE2-O 3.48Å; Y541-N545 HydrophobicContact CG-CB 3.71Å; Y541-L549 HydrophobicContact CD2-CB 3.7Å; Y541-L549 HydrophobicContact CD2-CD2 3.95Å; Y541-L549 HydrophobicContact CD2-CG 4.33Å; Y541-L549 HydrophobicContact CE2-CB 3.78Å; Y541-L549 HydrophobicContact CE2-CD1 4.31Å; Y541-L549 HydrophobicContact CE2-CD2 4.35Å; Y541-L549 HydrophobicContact CE2-CG 4.37Å
542Q93.5Very high95.2Very high54 Ų5434.5 Ų34.525%0.25218%0.178SC..  trans-77.7-176.5164.5-57.2-58.3-37.300109.6E334 I336 D338 K502 K544 L546E334-Q542 PolarHBondContact O-NE2 3.34Å; I336-Q542 WeakPolarHBondContact O-CG 3.42Å; D338-Q542 WeakPolarHBondContact OD2-CB 3.44Å; K502-Q542 VanDerWaalsContact CE-CG 3.49Å; Q542-K544 PolarHBondContact O-N 3.46Å; Q542-L546 VanDerWaalsContact O-CB 3.27Å; Q542-L546 WeakPolarHBondContact O-CB 3.42Å; Q542-L546 PolarHBondContact O-N 3.32Å
543H90.1Very high95.2Very high56 Ų5629.8 Ų29.826%0.25915%0.153SC..Hα-helixtrans-55-52.3-172.4-177.5-168.9000112.7D338 I343 L546 D590D338-H543 WeakPolarHBondContact OD2-CA 3.45Å; D338-H543 WeakPolarHBondContact OD2-CB 3.43Å; D338-H543 PolarHBondContact OD2-N 3.14Å; I343-H543 HydrophobicContact CD1-CB 4.48Å; I343-H543 WeakPolarHBondContact CD1-ND1 3.41Å; H543-L546 WeakPolarHBondContact O-CB 3.34Å; H543-L546 PolarHBondContact O-N 3.2Å; H543-D590 IonicContact CD2-OD1 2.94Å; H543-D590 IonicContact CD2-OD2 3.88Å; H543-D590 IonicContact CE1-OD1 3.01Å; H543-D590 IonicContact CE1-OD2 2.72Å; H543-D590 PolarHBondContact CE1-OD2 2.84Å; H543-D590 IonicContact NE2-OD1 2.92Å; H543-D590 PolarHBondContact NE2-OD1 3.4Å; H543-D590 IonicContact NE2-OD2 2.74Å; H543-D590 PolarHBondContact NE2-OD2 3.43Å
544K88.8Confident95.1Very high42 Ų4229.7 Ų29.718%0.18315%0.153CC..Hα-helixtrans-58-56.3-176.6-172.7-171.8173.8-167.70111.4D338 D376 E506 Q542 L546 L547D338-K544 PolarHBondContact OD2-N 3.07Å; D376-K544 WeakPolarHBondContact OD2-CE 3.39Å; D376-K544 IonicContact OD2-NZ 3.53Å; D376-K544 PolarHBondContact OD2-NZ 3.3Å; E506-K544 WeakPolarHBondContact OE1-CE 3.42Å; E506-K544 IonicContact OE1-NZ 2.74Å; E506-K544 PolarHBondContact OE1-NZ 2.87Å; E506-K544 WeakPolarHBondContact OE2-CE 3.37Å; E506-K544 IonicContact OE2-NZ 3.61Å; E506-K544 PolarHBondContact OE2-NZ 2.91Å; Q542-K544 PolarHBondContact O-N 3.46Å; K544-L546 VanDerWaalsContact C-N 3.27Å; K544-L546 PolarHBondContact O-N 2.93Å; K544-L547 WeakPolarHBondContact O-CB 3.46Å; K544-L547 PolarHBondContact O-N 3.44Å; K544-L547 VanDerWaalsContact O-N 3.1Å
545N93.7Very high95Very high2 Ų230.5 Ų30.51%0.01116%0.158CC..Hα-helixtrans-67-28.5-175.9-67-0.5000112.6K502 Q505 Y541 L547 I548 L549K502-N545 WeakPolarHBondContact CA-ND2 3.38Å; K502-N545 PolarHBondContact O-ND2 3.22Å; Q505-N545 WeakPolarHBondContact CB-ND2 3.36Å; Q505-N545 PolarHBondContact OE1-ND2 3.08Å; Y541-N545 HydrophobicContact CD1-CB 4.25Å; Y541-N545 HydrophobicContact CD2-CB 3.52Å; Y541-N545 WeakPolarHBondContact CD2-O 3.28Å; Y541-N545 HydrophobicContact CE2-CB 3.88Å; Y541-N545 WeakPolarHBondContact CE2-O 3.48Å; Y541-N545 HydrophobicContact CG-CB 3.71Å; N545-L547 PolarHBondContact O-N 3.46Å; N545-I548 PolarHBondContact O-N 3.26Å; N545-L549 PolarHBondContact O-N 2.86Å
546L95Very high95Very high16 Ų1628.7 Ų28.78%0.08415%0.147CC..Hα-helixtrans-59.3-32.6175.1178.964.1000111.8F538 Q542 H543 K544 L549 Y550 K580F538-L546 HydrophobicContact CD1-CD1 3.77Å; F538-L546 HydrophobicContact CE1-CD1 3.91Å; Q542-L546 VanDerWaalsContact O-CB 3.27Å; Q542-L546 WeakPolarHBondContact O-CB 3.42Å; Q542-L546 PolarHBondContact O-N 3.32Å; H543-L546 WeakPolarHBondContact O-CB 3.34Å; H543-L546 PolarHBondContact O-N 3.2Å; K544-L546 VanDerWaalsContact C-N 3.27Å; K544-L546 PolarHBondContact O-N 2.93Å; L546-L549 HydrophobicContact CD1-CD2 4.35Å; L546-L549 PolarHBondContact O-N 3.49Å; L546-Y550 HydrophobicContact CD1-CE1 4.16Å; L546-Y550 HydrophobicContact CD1-CE2 4.36Å; L546-Y550 HydrophobicContact CD2-CE2 4.39Å; L546-Y550 HydrophobicContact CG-CE2 3.85Å; L546-Y550 VanDerWaalsContact O-CD2 3.26Å; L546-Y550 WeakPolarHBondContact O-CD2 3.4Å; L546-Y550 PolarHBondContact O-N 3.16Å; L546-K580 HydrophobicContact CD2-CD 4.08Å; L546-K580 VanDerWaalsContact CD2-NZ 3.33Å
547L92Very high95.1Very high14 Ų1423.2 Ų23.27%0.07312%0.123CC..Hα-helixtrans-69.8-38.5178.2-52.5-174.6000111.8R346 K544 N545 L549 Y550 D551 P593R346-L547 HydrophobicContact CG-CD1 4.4Å; K544-L547 WeakPolarHBondContact O-CB 3.46Å; K544-L547 PolarHBondContact O-N 3.44Å; K544-L547 VanDerWaalsContact O-N 3.1Å; N545-L547 PolarHBondContact O-N 3.46Å; L547-L549 VanDerWaalsContact C-N 3.33Å; L547-Y550 HydrophobicContact CD2-CD2 4.3Å; L547-Y550 HydrophobicContact CD2-CE2 4.2Å; L547-Y550 PolarHBondContact O-N 2.83Å; L547-D551 PolarHBondContact O-N 3.27Å; L547-P593 HydrophobicContact CD2-CG 4.24Å
548I91.7Very high95Very high28 Ų2826.4 Ų26.414%0.14414%0.14CC..Hα-helixtrans-70.6-32.4176-50.7176.3000110.7E506 C509 N545 Y550 D551 A552E506-I548 HydrophobicContact CB-CD1 3.84Å; E506-I548 HydrophobicContact CG-CD1 3.52Å; C509-I548 HydrophobicContact CB-CG2 3.8Å; N545-I548 PolarHBondContact O-N 3.26Å; I548-Y550 VanDerWaalsContact C-N 3.31Å; I548-Y550 PolarHBondContact O-N 3.49Å; I548-D551 WeakPolarHBondContact O-CB 3.31Å; I548-D551 PolarHBondContact O-N 3.33Å; I548-A552 PolarHBondContact O-N 2.94Å
549L96.9Very high95Very high0 Ų026.2 Ų26.20%014%0.141CC..Hα-helixtrans-64.4-35.8173.5-176.261.3000112.5L534 A537 F538 Y541 N545 L546 L547 D551 I553L534-L549 HydrophobicContact CB-CD1 4.24Å; L534-L549 HydrophobicContact CD2-CD1 3.82Å; A537-L549 HydrophobicContact CB-CD1 4Å; A537-L549 HydrophobicContact CB-CD2 3.81Å; F538-L549 HydrophobicContact CD1-CD2 4.34Å; F538-L549 HydrophobicContact CD2-CD2 3.69Å; F538-L549 HydrophobicContact CE1-CD2 4.47Å; F538-L549 HydrophobicContact CE2-CD2 3.86Å; F538-L549 HydrophobicContact CE2-CG 4.36Å; F538-L549 HydrophobicContact CG-CD2 3.95Å; F538-L549 HydrophobicContact CZ-CD2 4.23Å; Y541-L549 HydrophobicContact CD2-CB 3.7Å; Y541-L549 HydrophobicContact CD2-CD2 3.95Å; Y541-L549 HydrophobicContact CD2-CG 4.33Å; Y541-L549 HydrophobicContact CE2-CB 3.78Å; Y541-L549 HydrophobicContact CE2-CD1 4.31Å; Y541-L549 HydrophobicContact CE2-CD2 4.35Å; Y541-L549 HydrophobicContact CE2-CG 4.37Å; N545-L549 PolarHBondContact O-N 2.86Å; L546-L549 HydrophobicContact CD1-CD2 4.35Å; L546-L549 PolarHBondContact O-N 3.49Å; L547-L549 VanDerWaalsContact C-N 3.33Å; L549-D551 VanDerWaalsContact C-N 3.32Å; L549-I553 HydrophobicContact CD1-CD1 4.26Å; L549-I553 HydrophobicContact CG-CD1 4.01Å; L549-I553 WeakPolarHBondContact O-CB 3.45Å; L549-I553 WeakPolarHBondContact O-CD1 3.44Å; L549-I553 VanDerWaalsContact O-CG1 3.24Å; L549-I553 WeakPolarHBondContact O-CG1 3.21Å; L549-I553 PolarHBondContact O-N 3.15Å
550Y96.3Very high95.1Very high4 Ų422 Ų222%0.01611%0.112CC..Hα-helixtrans-64.4-41.6174.8-65.1-45.5000111.7F538 L546 L547 I548 I553 G554 L577 K580 P593 L594 C597F538-Y550 HydrophobicContact CE1-CD1 4.4Å; F538-Y550 AromaticContact CE1-CE1 3.69Å; F538-Y550 HydrophobicContact CE1-CE1 3.69Å; F538-Y550 HydrophobicContact CZ-CD1 4.38Å; F538-Y550 HydrophobicContact CZ-CE1 4.08Å; L546-Y550 HydrophobicContact CD1-CE1 4.16Å; L546-Y550 HydrophobicContact CD1-CE2 4.36Å; L546-Y550 HydrophobicContact CD2-CE2 4.39Å; L546-Y550 HydrophobicContact CG-CE2 3.85Å; L546-Y550 VanDerWaalsContact O-CD2 3.26Å; L546-Y550 WeakPolarHBondContact O-CD2 3.4Å; L546-Y550 PolarHBondContact O-N 3.16Å; L547-Y550 HydrophobicContact CD2-CD2 4.3Å; L547-Y550 HydrophobicContact CD2-CE2 4.2Å; L547-Y550 PolarHBondContact O-N 2.83Å; I548-Y550 VanDerWaalsContact C-N 3.31Å; I548-Y550 PolarHBondContact O-N 3.49Å; Y550-I553 PolarHBondContact O-N 2.95Å; Y550-G554 PolarHBondContact O-N 3.48Å; Y550-L577 HydrophobicContact CD1-CD2 4.15Å; Y550-L577 HydrophobicContact CE1-CD2 4.18Å; Y550-K580 WeakPolarHBondContact OH-CB 3.32Å; Y550-K580 VanDerWaalsContact OH-CG 3.32Å; Y550-K580 WeakPolarHBondContact OH-CG 3.43Å; Y550-P593 HydrophobicContact CD2-CB 4.01Å; Y550-L594 HydrophobicContact CD1-CD1 4.03Å; Y550-L594 HydrophobicContact CD2-CB 4.47Å; Y550-L594 HydrophobicContact CE1-CD1 3.69Å; Y550-L594 HydrophobicContact CE2-CB 4.25Å; Y550-C597 WeakPolarHBondContact O-CB 3.13Å; Y550-C597 PolarHBondContact O-SG 2.95Å
551D92.6Very high95.2Very high86 Ų8621.2 Ų21.246%0.4611%0.113SC..Hα-helixtrans-58.9-56.3176.6-172.865.3000110.9L547 I548 L549 I553 G554 T555L547-D551 PolarHBondContact O-N 3.27Å; I548-D551 WeakPolarHBondContact O-CB 3.31Å; I548-D551 PolarHBondContact O-N 3.33Å; L549-D551 VanDerWaalsContact C-N 3.32Å; D551-I553 VanDerWaalsContact C-N 3.27Å; D551-I553 PolarHBondContact O-N 3.39Å; D551-I553 VanDerWaalsContact O-N 3.16Å; D551-G554 CarbonylContact O-C 3.6Å; D551-G554 WeakPolarHBondContact O-CA 3.28Å; D551-G554 PolarHBondContact O-N 3.3Å; D551-T555 PolarHBondContact O-N 3.24Å; D551-T555 PolarHBondContact O-OG1 3.43Å; D551-T555 VanDerWaalsContact O-OG1 3.12Å
552A96.4Very high95.2Very high0 Ų025.7 Ų25.70%013%0.134CC..Hα-helixtrans-56.6-36.817600000113.4C509 A513 I548 L556C509-A552 VanDerWaalsContact SG-CB 3.52Å; A513-A552 HydrophobicContact CB-CB 4.4Å; I548-A552 PolarHBondContact O-N 2.94Å; A552-L556 WeakPolarHBondContact O-CB 3.2Å; A552-L556 PolarHBondContact O-N 3.25Å
553I98.4Very high95.4Very high3 Ų326 Ų262%0.01514%0.135CC..Hα-helixtrans-67.8-39.7175-71.4166.6000111.8L534 F538 L549 Y550 D551 A557 L573 C597 V601L534-I553 HydrophobicContact CB-CG1 4.41Å; L534-I553 HydrophobicContact CD1-CG1 4.07Å; F538-I553 HydrophobicContact CE2-CD1 3.43Å; F538-I553 VanDerWaalsContact CE2-CD1 3.43Å; F538-I553 HydrophobicContact CZ-CD1 3.64Å; L549-I553 HydrophobicContact CD1-CD1 4.26Å; L549-I553 HydrophobicContact CG-CD1 4.01Å; L549-I553 WeakPolarHBondContact O-CB 3.45Å; L549-I553 WeakPolarHBondContact O-CD1 3.44Å; L549-I553 VanDerWaalsContact O-CG1 3.24Å; L549-I553 WeakPolarHBondContact O-CG1 3.21Å; L549-I553 PolarHBondContact O-N 3.15Å; Y550-I553 PolarHBondContact O-N 2.95Å; D551-I553 VanDerWaalsContact C-N 3.27Å; D551-I553 PolarHBondContact O-N 3.39Å; D551-I553 VanDerWaalsContact O-N 3.16Å; I553-A557 WeakPolarHBondContact O-CB 3.23Å; I553-A557 PolarHBondContact O-N 3Å; I553-A557 VanDerWaalsContact O-N 3.08Å; I553-L573 HydrophobicContact CD1-CD1 4.27Å; I553-L573 HydrophobicContact CG1-CD1 4.47Å; I553-L573 HydrophobicContact CG2-CD1 3.82Å; I553-L573 HydrophobicContact CG2-CD2 4.38Å; I553-C597 VanDerWaalsContact CG2-SG 3.54Å; I553-V601 HydrophobicContact CG2-CG2 3.93Å
554G97Very high95.8Very high4 Ų423.3 Ų23.34%0.04112%0.123CC..Hα-helixtrans-62.8-50.2175.700000111Y550 D551 L556 A557 D558 S600Y550-G554 PolarHBondContact O-N 3.48Å; D551-G554 CarbonylContact O-C 3.6Å; D551-G554 WeakPolarHBondContact O-CA 3.28Å; D551-G554 PolarHBondContact O-N 3.3Å; G554-L556 PolarHBondContact O-N 3.07Å; G554-A557 WeakPolarHBondContact O-CA 3.07Å; G554-A557 WeakPolarHBondContact O-CB 3.44Å; G554-A557 PolarHBondContact O-N 3.45Å; G554-D558 PolarHBondContact O-N 3.02Å; G554-S600 WeakPolarHBondContact O-CB 3.3Å
555T96.9Very high96.2Very high16 Ų1623.4 Ų23.410%0.09813%0.126CC..Hα-helixtrans-58.8-44.7177-56.20000111.9A513 E516 E517 D551 A557 D558 S559A513-T555 HydrophobicContact CB-CG2 4.27Å; E516-T555 HydrophobicContact CB-CG2 4.08Å; E517-T555 HydrophobicContact CG-CG2 3.43Å; E517-T555 VanDerWaalsContact CG-CG2 3.43Å; D551-T555 PolarHBondContact O-N 3.24Å; D551-T555 PolarHBondContact O-OG1 3.43Å; D551-T555 VanDerWaalsContact O-OG1 3.12Å; T555-A557 VanDerWaalsContact C-N 3.29Å; T555-A557 PolarHBondContact O-N 3.48Å; T555-D558 PolarHBondContact O-N 2.98Å; T555-S559 WeakPolarHBondContact O-CB 3.16Å; T555-S559 PolarHBondContact O-N 3.1Å; T555-S559 PolarHBondContact O-OG 2.93Å
556L98.3Very high96.4Very high2 Ų226.8 Ų26.81%0.0114%0.14CC..Hα-helixtrans-56.7-44.3172.1-175.464.2000111.9E516 L523 L527 I530 L531 L534 A552 G554 S559 V560E516-L556 HydrophobicContact CG-CB 4.43Å; E516-L556 HydrophobicContact CG-CD1 3.96Å; E516-L556 WeakPolarHBondContact OE1-CB 3.31Å; E516-L556 PolarHBondContact OE2-N 2.89Å; E516-L556 VanDerWaalsContact OE2-N 3.09Å; L523-L556 HydrophobicContact CD1-CD1 4.27Å; L527-L556 HydrophobicContact CD2-CD1 4.05Å; L527-L556 HydrophobicContact CD2-CD2 4.34Å; L527-L556 HydrophobicContact CD2-CG 4.41Å; I530-L556 HydrophobicContact CG2-CD1 4.33Å; I530-L556 HydrophobicContact CG2-CD2 3.79Å; L531-L556 HydrophobicContact CD2-CD2 3.81Å; L534-L556 HydrophobicContact CD1-CD2 3.9Å; A552-L556 WeakPolarHBondContact O-CB 3.2Å; A552-L556 PolarHBondContact O-N 3.25Å; G554-L556 PolarHBondContact O-N 3.07Å; L556-S559 PolarHBondContact O-N 3Å; L556-V560 HydrophobicContact CD1-CG1 3.96Å; L556-V560 VanDerWaalsContact O-CG2 3.28Å; L556-V560 WeakPolarHBondContact O-CG2 3.42Å; L556-V560 PolarHBondContact O-N 3.19Å
557A98.4Very high96.6Very high0 Ų029.9 Ų29.90%016%0.161CC..Hα-helixtrans-65-43.2-178.800000111.8I553 G554 T555 G561 L564 V601 A604I553-A557 WeakPolarHBondContact O-CB 3.23Å; I553-A557 PolarHBondContact O-N 3Å; I553-A557 VanDerWaalsContact O-N 3.08Å; G554-A557 WeakPolarHBondContact O-CA 3.07Å; G554-A557 WeakPolarHBondContact O-CB 3.44Å; G554-A557 PolarHBondContact O-N 3.45Å; T555-A557 VanDerWaalsContact C-N 3.29Å; T555-A557 PolarHBondContact O-N 3.48Å; A557-G561 VanDerWaalsContact O-CA 3.28Å; A557-G561 WeakPolarHBondContact O-CA 3.35Å; A557-G561 PolarHBondContact O-N 3.43Å; A557-L564 HydrophobicContact CB-CD2 4.05Å; A557-V601 HydrophobicContact CB-CG2 3.99Å; A557-A604 HydrophobicContact CB-CB 3.87Å; A557-A604 WeakPolarHBondContact O-CB 3.33Å
558D96.6Very high96.8Very high67 Ų6733.8 Ų33.836%0.35818%0.179SC..Hα-helixtrans-66.5-38.5175.7-71.8-35000111.6G554 T555 S600G554-D558 PolarHBondContact O-N 3.02Å; T555-D558 PolarHBondContact O-N 2.98Å; D558-S600 VanDerWaalsContact CG-CB 3.47Å; D558-S600 VanDerWaalsContact CG-OG 3.28Å; D558-S600 VanDerWaalsContact OD1-CB 3.29Å; D558-S600 WeakPolarHBondContact OD1-CB 3.32Å; D558-S600 PolarHBondContact OD1-OG 3.35Å; D558-S600 VanDerWaalsContact OD2-CB 3.23Å; D558-S600 WeakPolarHBondContact OD2-CB 3.38Å; D558-S600 PolarHBondContact OD2-OG 3.14Å
559S96.8Very high97.1Very high17 Ų1733.5 Ų33.512%0.11918%0.176CC..Hα-helixtrans-70.8-38.7-177.7-61.30000114E516 T555 L556E516-S559 WeakPolarHBondContact O-CB 3.46Å; E516-S559 PolarHBondContact O-OG 2.94Å; T555-S559 WeakPolarHBondContact O-CB 3.16Å; T555-S559 PolarHBondContact O-N 3.1Å; T555-S559 PolarHBondContact O-OG 2.93Å; L556-S559 PolarHBondContact O-N 3Å
560V97.3Very high97.2Very high4 Ų434.2 Ų34.22%0.02418%0.18CC..Hα-helixtrans-103.2-16.2-177.6-49.10000113.8L523 L527 L556 H562 H563 L564L523-V560 HydrophobicContact CB-CG1 4.37Å; L527-V560 HydrophobicContact CD1-CG2 4.38Å; L527-V560 HydrophobicContact CD2-CG1 4.11Å; L527-V560 HydrophobicContact CD2-CG2 4.13Å; L556-V560 HydrophobicContact CD1-CG1 3.96Å; L556-V560 VanDerWaalsContact O-CG2 3.28Å; L556-V560 WeakPolarHBondContact O-CG2 3.42Å; L556-V560 PolarHBondContact O-N 3.19Å; V560-H562 PolarHBondContact O-N 2.82Å; V560-H563 WeakPolarHBondContact O-CB 3.18Å; V560-H563 PolarHBondContact O-CD2 3.27Å; V560-H563 VanDerWaalsContact O-CD2 3.32Å; V560-H563 PolarHBondContact O-N 3.48Å; V560-L564 HydrophobicContact CG2-CB 4Å
561G95.9Very high97.3Very high16 Ų1640.7 Ų40.717%0.16521%0.211CC..G310 helixtrans48.6-130.6178.500000113.9A557 H563 L564A557-G561 VanDerWaalsContact O-CA 3.28Å; A557-G561 WeakPolarHBondContact O-CA 3.35Å; A557-G561 PolarHBondContact O-N 3.43Å; G561-H563 PolarHBondContact O-N 2.9Å; G561-L564 WeakPolarHBondContact O-CB 3.33Å; G561-L564 PolarHBondContact O-N 2.66Å
562H96.7Very high97.5Very high109 Ų10939.1 Ų39.151%0.50520%0.201SC..G310 helixtrans-57.7-15.5-174.676.3-73.6000115.3V560 L564 N565 A604V560-H562 PolarHBondContact O-N 2.82Å; H562-L564 PolarHBondContact O-N 2.84Å; H562-N565 WeakPolarHBondContact O-CB 3.35Å; H562-N565 PolarHBondContact O-N 3.23Å; H562-N565 VanDerWaalsContact O-N 3.08Å; H562-A604 WeakPolarHBondContact CA-O 3.47Å
563H98Very high97.5Very high59 Ų5939.2 Ų39.227%0.27320%0.201SC..G310 helixtrans-64.7-21.8174-67.9-59.2000113V524 L527 V560 G561 N565V524-H563 HydrophobicContact CG1-CB 4.2Å; V524-H563 HydrophobicContact CG2-CB 3.74Å; V524-H563 VanDerWaalsContact CG2-CD2 3.49Å; V524-H563 WeakPolarHBondContact CG2-CD2 3.44Å; L527-H563 HydrophobicContact CD1-CB 4.28Å; V560-H563 WeakPolarHBondContact O-CB 3.18Å; V560-H563 PolarHBondContact O-CD2 3.27Å; V560-H563 VanDerWaalsContact O-CD2 3.32Å; V560-H563 PolarHBondContact O-N 3.48Å; G561-H563 PolarHBondContact O-N 2.9Å; H563-N565 VanDerWaalsContact C-N 3.31Å
564L98Very high97.5Very high1 Ų139 Ų391%0.00520%0.201CC..G310 helixtrans-74.5-20.3174.1-161.464.5000112.7L527 L531 A557 V560 G561 H562 K566 L573 A604 L605L527-L564 HydrophobicContact CD2-CD1 4.48Å; L531-L564 HydrophobicContact CD1-CD1 3.79Å; L531-L564 HydrophobicContact CD2-CD1 4.09Å; L531-L564 HydrophobicContact CG-CD1 4.45Å; A557-L564 HydrophobicContact CB-CD2 4.05Å; V560-L564 HydrophobicContact CG2-CB 4Å; G561-L564 WeakPolarHBondContact O-CB 3.33Å; G561-L564 PolarHBondContact O-N 2.66Å; H562-L564 PolarHBondContact O-N 2.84Å; L564-K566 PolarHBondContact O-N 2.94Å; L564-L573 HydrophobicContact CD2-CD2 3.89Å; L564-A604 HydrophobicContact CB-CB 4.42Å; L564-A604 HydrophobicContact CD2-CB 4.25Å; L564-L605 HydrophobicContact CB-CD2 4Å; L564-L605 HydrophobicContact CD2-CD2 3.97Å; L564-L605 HydrophobicContact CG-CD2 3.69Å; L564-L605 WeakPolarHBondContact O-CD2 3.44Å
565N98.1Very high97.6Very high44 Ų4442 Ų4224%0.23522%0.219CC..  trans-7561.9178-173.913000112.3H562 H563 L605H562-N565 WeakPolarHBondContact O-CB 3.35Å; H562-N565 PolarHBondContact O-N 3.23Å; H562-N565 VanDerWaalsContact O-N 3.08Å; H563-N565 VanDerWaalsContact C-N 3.31Å; N565-L605 WeakPolarHBondContact CB-O 3.4Å; N565-L605 PolarHBondContact ND2-O 2.78Å; N565-L605 VanDerWaalsContact ND2-O 3.15Å; N565-L605 PolarHBondContact OD1-O 3.41Å; N565-L605 VanDerWaalsContact OD1-O 3.12Å
566K97.8Very high97.6Very high72 Ų7242 Ų4231%0.31322%0.22SC..SBendtrans-121.7141168.9-60.4-171.8-167.2164.20110.3L564 E568 Y569 I570L564-K566 PolarHBondContact O-N 2.94Å; K566-E568 HydrophobicContact CB-CG 4.23Å; K566-E568 WeakPolarHBondContact CD-OE1 3.49Å; K566-E568 PolarHBondContact O-N 2.96Å; K566-E568 VanDerWaalsContact O-N 3.13Å; K566-Y569 HydrophobicContact CB-CD2 3.83Å; K566-Y569 HydrophobicContact CB-CE2 4.23Å; K566-Y569 HydrophobicContact CB-CG 4.32Å; K566-Y569 HydrophobicContact CD-CD2 4.08Å; K566-Y569 HydrophobicContact CD-CE2 3.63Å; K566-Y569 HydrophobicContact CG-CD2 4.1Å; K566-Y569 HydrophobicContact CG-CE2 4.14Å; K566-Y569 PolarHBondContact O-N 3.36Å; K566-I570 VanDerWaalsContact O-CG1 3.31Å; K566-I570 WeakPolarHBondContact O-CG1 3.42Å; K566-I570 PolarHBondContact O-N 2.96Å
567P97.6Very high97.6Very high82 Ų8242 Ų4253%0.53222%0.219SC..Hα-helixtrans-52.4-39.2-177-28.135.3000114.2Q571P567-Q571 WeakPolarHBondContact O-CB 3.45Å; P567-Q571 WeakPolarHBondContact O-CG 3.43Å; P567-Q571 PolarHBondContact O-N 3.17Å
568E97.7Very high97.5Very high95 Ų9543.4 Ų43.444%0.44423%0.226SC..Hα-helixtrans-63.6-44.117857.2-87.5-154.300112.8K566 Q571 M572K566-E568 HydrophobicContact CB-CG 4.23Å; K566-E568 WeakPolarHBondContact CD-OE1 3.49Å; K566-E568 PolarHBondContact O-N 2.96Å; K566-E568 VanDerWaalsContact O-N 3.13Å; E568-Q571 PolarHBondContact O-N 3.19Å; E568-M572 VanDerWaalsContact O-CG 3.29Å; E568-M572 WeakPolarHBondContact O-CG 3.45Å; E568-M572 PolarHBondContact O-N 3.5Å
569Y98.3Very high97.6Very high22 Ų2246.1 Ų46.19%0.08624%0.237CC..Hα-helixtrans-72.9-40-179.3-59.4-24.7000111.3L527 A528 L531 K566 Q571 M572 L573L527-Y569 HydrophobicContact CB-CE1 4.34Å; L527-Y569 HydrophobicContact CB-CE2 3.94Å; L527-Y569 HydrophobicContact CD1-CD2 4.38Å; L527-Y569 HydrophobicContact CD1-CE2 3.86Å; A528-Y569 HydrophobicContact CB-CE1 4.01Å; L531-Y569 HydrophobicContact CD1-CD1 3.64Å; L531-Y569 HydrophobicContact CD1-CD2 4.37Å; L531-Y569 HydrophobicContact CD1-CE1 4.48Å; L531-Y569 HydrophobicContact CD1-CG 3.6Å; K566-Y569 HydrophobicContact CB-CD2 3.83Å; K566-Y569 HydrophobicContact CB-CE2 4.23Å; K566-Y569 HydrophobicContact CB-CG 4.32Å; K566-Y569 HydrophobicContact CD-CD2 4.08Å; K566-Y569 HydrophobicContact CD-CE2 3.63Å; K566-Y569 HydrophobicContact CG-CD2 4.1Å; K566-Y569 HydrophobicContact CG-CE2 4.14Å; K566-Y569 PolarHBondContact O-N 3.36Å; Y569-Q571 VanDerWaalsContact C-N 3.32Å; Y569-Q571 PolarHBondContact O-N 2.88Å; Y569-M572 PolarHBondContact O-N 3.15Å; Y569-M572 VanDerWaalsContact O-N 3.16Å; Y569-L573 WeakPolarHBondContact O-CB 3.37Å; Y569-L573 PolarHBondContact O-N 3.29Å
570I98.1Very high97.5Very high16 Ų1647.5 Ų47.58%0.08224%0.241CC..Hα-helixtrans-59.9-43.7174.9-63.6163.9000110.7K566 M572 L573 M574 L605 Y612K566-I570 VanDerWaalsContact O-CG1 3.31Å; K566-I570 WeakPolarHBondContact O-CG1 3.42Å; K566-I570 PolarHBondContact O-N 2.96Å; I570-M572 VanDerWaalsContact C-N 3.27Å; I570-M572 PolarHBondContact O-N 3.16Å; I570-L573 PolarHBondContact O-N 3.2Å; I570-M574 HydrophobicContact CG2-CG 3.95Å; I570-M574 WeakPolarHBondContact O-CB 3.46Å; I570-M574 PolarHBondContact O-N 3.05Å; I570-L605 HydrophobicContact CD1-CD2 4.48Å; I570-L605 HydrophobicContact CG1-CD1 4.07Å; I570-L605 HydrophobicContact CG1-CD2 3.75Å; I570-L605 HydrophobicContact CG1-CG 4.45Å; I570-Y612 HydrophobicContact CG2-CE2 3.95Å
571Q97.5Very high97.5Very high140 Ų14047.6 Ų47.665%0.65424%0.241SC*.Hα-helixtrans-67.4-26.3178.5-76172.932.800113.4P567 E568 Y569 P575P567-Q571 WeakPolarHBondContact O-CB 3.45Å; P567-Q571 WeakPolarHBondContact O-CG 3.43Å; P567-Q571 PolarHBondContact O-N 3.17Å; E568-Q571 PolarHBondContact O-N 3.19Å; Y569-Q571 VanDerWaalsContact C-N 3.32Å; Y569-Q571 PolarHBondContact O-N 2.88Å; Q571-P575 WeakPolarHBondContact O-CD 3.35Å; Q571-P575 VanDerWaalsContact O-CG 3.3Å; Q571-P575 WeakPolarHBondContact O-CG 3.45Å
572M97.4Very high97.5Very high53 Ų5352.3 Ų52.326%0.26126%0.262SS..Hα-helixtrans-77.7-49.9173.4-68.8170.969.200111.2L531 D532 V535 E568 Y569 I570 P576L531-M572 HydrophobicContact CB-CE 3.88Å; D532-M572 HydrophobicContact CB-CE 3.82Å; D532-M572 VanDerWaalsContact N-CE 3.33Å; V535-M572 HydrophobicContact CG2-CB 4.45Å; V535-M572 WeakPolarHBondContact CG2-O 3.45Å; E568-M572 VanDerWaalsContact O-CG 3.29Å; E568-M572 WeakPolarHBondContact O-CG 3.45Å; E568-M572 PolarHBondContact O-N 3.5Å; Y569-M572 PolarHBondContact O-N 3.15Å; Y569-M572 VanDerWaalsContact O-N 3.16Å; I570-M572 VanDerWaalsContact C-N 3.27Å; I570-M572 PolarHBondContact O-N 3.16Å; M572-P576 WeakPolarHBondContact O-CD 3.42Å
573L97.8Very high97.4Very high1 Ų152.9 Ų52.91%0.00527%0.267CS..Hα-helixtrans-82.3-43.7-166.1-177.161.6000114.1L531 I553 L564 Y569 I570 P576 L577 V601L531-L573 HydrophobicContact CD2-CD1 4.35Å; L531-L573 HydrophobicContact CD2-CD2 4.44Å; I553-L573 HydrophobicContact CD1-CD1 4.27Å; I553-L573 HydrophobicContact CG1-CD1 4.47Å; I553-L573 HydrophobicContact CG2-CD1 3.82Å; I553-L573 HydrophobicContact CG2-CD2 4.38Å; L564-L573 HydrophobicContact CD2-CD2 3.89Å; Y569-L573 WeakPolarHBondContact O-CB 3.37Å; Y569-L573 PolarHBondContact O-N 3.29Å; I570-L573 PolarHBondContact O-N 3.2Å; L573-P576 VanDerWaalsContact O-CD 3.25Å; L573-P576 WeakPolarHBondContact O-CD 3.12Å; L573-P576 VanDerWaalsContact O-CG 3.26Å; L573-P576 WeakPolarHBondContact O-CG 3.18Å; L573-L577 HydrophobicContact CD1-CD1 4.08Å; L573-L577 HydrophobicContact CG-CD1 3.89Å; L573-V601 HydrophobicContact CD2-CG1 4.28Å; L573-V601 HydrophobicContact CD2-CG2 4.25Å
574M98.3Very high97.3Very high0 Ų051.4 Ų51.40%026%0.26CS..Hα-helixtrans-71.2-38-170.4-69.3-56.4-59.300114.8I570 L577 I578 L598 V601 L605 F609 Y612I570-M574 HydrophobicContact CG2-CG 3.95Å; I570-M574 WeakPolarHBondContact O-CB 3.46Å; I570-M574 PolarHBondContact O-N 3.05Å; M574-L577 PolarHBondContact O-N 3.08Å; M574-L577 HydrophobicContact SD-CD1 4.22Å; M574-I578 HydrophobicContact CE-CD1 4.15Å; M574-I578 HydrophobicContact CE-CG1 4.06Å; M574-I578 WeakPolarHBondContact O-CB 3.36Å; M574-I578 VanDerWaalsContact O-CG1 3.3Å; M574-I578 WeakPolarHBondContact O-CG1 3.39Å; M574-I578 PolarHBondContact O-N 3.32Å; M574-L598 HydrophobicContact CE-CD2 4.25Å; M574-V601 HydrophobicContact SD-CG1 3.68Å; M574-L605 HydrophobicContact CG-CD1 3.84Å; M574-L605 HydrophobicContact SD-CD1 3.66Å; M574-F609 HydrophobicContact CE-CD2 3.95Å; M574-F609 HydrophobicContact CE-CE2 3.35Å; M574-F609 HydrophobicContact CE-CZ 3.9Å; M574-F609 HydrophobicContact SD-CD2 4.25Å; M574-F609 HydrophobicContact SD-CE2 3.99Å; M574-Y612 HydrophobicContact CB-CD2 4.27Å; M574-Y612 HydrophobicContact CB-CE1 3.94Å; M574-Y612 HydrophobicContact CB-CE2 3.67Å; M574-Y612 VanDerWaalsContact CB-CZ 3.46Å; M574-Y612 HydrophobicContact CE-CD1 4.31Å; M574-Y612 HydrophobicContact CE-CD2 3.82Å; M574-Y612 HydrophobicContact CE-CE2 4.35Å; M574-Y612 HydrophobicContact CE-CG 3.79Å; M574-Y612 HydrophobicContact CG-CD2 4.02Å; M574-Y612 HydrophobicContact CG-CE2 3.62Å
575P97.5Very high97.1Very high66 Ų6658.3 Ų58.343%0.42929%0.291SS..Hα-helixtrans-55.3-49.4179.6-26.736000115.5Q571 I578 Q579Q571-P575 WeakPolarHBondContact O-CD 3.35Å; Q571-P575 VanDerWaalsContact O-CG 3.3Å; Q571-P575 WeakPolarHBondContact O-CG 3.45Å; P575-I578 PolarHBondContact O-N 3.45Å; P575-Q579 WeakPolarHBondContact O-CB 3.19Å; P575-Q579 PolarHBondContact O-N 2.72Å
576P97.7Very high97Very high17 Ų1758 Ų5811%0.1129%0.289CS..Hα-helixtrans-65.1-39.2177.524.5-34000112.8V535 F538 M572 L573 Q579 K580V535-P576 HydrophobicContact CG1-CG 4.25Å; V535-P576 HydrophobicContact CG2-CG 4.35Å; F538-P576 HydrophobicContact CB-CB 4.46Å; F538-P576 HydrophobicContact CD1-CB 4.11Å; F538-P576 HydrophobicContact CD2-CB 4Å; F538-P576 HydrophobicContact CD2-CG 4.31Å; F538-P576 HydrophobicContact CE1-CB 4.33Å; F538-P576 HydrophobicContact CE2-CB 4.21Å; F538-P576 HydrophobicContact CE2-CG 4.28Å; F538-P576 HydrophobicContact CG-CB 3.94Å; F538-P576 HydrophobicContact CZ-CB 4.39Å; M572-P576 WeakPolarHBondContact O-CD 3.42Å; L573-P576 VanDerWaalsContact O-CD 3.25Å; L573-P576 WeakPolarHBondContact O-CD 3.12Å; L573-P576 VanDerWaalsContact O-CG 3.26Å; L573-P576 WeakPolarHBondContact O-CG 3.18Å; P576-Q579 WeakPolarHBondContact O-CB 3.22Å; P576-Q579 PolarHBondContact O-N 3.21Å; P576-K580 WeakPolarHBondContact O-CG 3.44Å; P576-K580 PolarHBondContact O-N 2.78Å
577L98Very high96.6Very high0 Ų061 Ų610%030%0.304CS..Hα-helixtrans-61-46.3175.7-69.3173.7000111.7F538 Y550 L573 M574 Q579 K580 W581 L594 L598 V601F538-L577 HydrophobicContact CE1-CD2 4.43Å; F538-L577 HydrophobicContact CZ-CD2 3.8Å; F538-L577 HydrophobicContact CZ-CG 4.39Å; Y550-L577 HydrophobicContact CD1-CD2 4.15Å; Y550-L577 HydrophobicContact CE1-CD2 4.18Å; L573-L577 HydrophobicContact CD1-CD1 4.08Å; L573-L577 HydrophobicContact CG-CD1 3.89Å; M574-L577 PolarHBondContact O-N 3.08Å; M574-L577 HydrophobicContact SD-CD1 4.22Å; L577-Q579 VanDerWaalsContact C-N 3.33Å; L577-Q579 PolarHBondContact O-N 2.93Å; L577-K580 PolarHBondContact O-N 3.3Å; L577-W581 WeakPolarHBondContact O-CB 3.29Å; L577-W581 PolarHBondContact O-N 2.74Å; L577-L594 HydrophobicContact CD2-CD1 3.88Å; L577-L598 HydrophobicContact CB-CD2 4.33Å; L577-L598 HydrophobicContact CD1-CD2 4.27Å; L577-V601 HydrophobicContact CD1-CG1 4.46Å; L577-V601 HydrophobicContact CD1-CG2 4.33Å
578I97.6Very high96.4Very high30 Ų3059.7 Ų59.715%0.15429%0.292CS..Hα-helixtrans-68.9-32.5178.2-66.3-66.1000111.8M574 P575 W581 N582 Y612 V616M574-I578 HydrophobicContact CE-CD1 4.15Å; M574-I578 HydrophobicContact CE-CG1 4.06Å; M574-I578 WeakPolarHBondContact O-CB 3.36Å; M574-I578 VanDerWaalsContact O-CG1 3.3Å; M574-I578 WeakPolarHBondContact O-CG1 3.39Å; M574-I578 PolarHBondContact O-N 3.32Å; P575-I578 PolarHBondContact O-N 3.45Å; I578-W581 WeakPolarHBondContact O-CB 3.5Å; I578-W581 PolarHBondContact O-N 2.68Å; I578-N582 WeakPolarHBondContact CG2-ND2 3.48Å; I578-N582 WeakPolarHBondContact O-CB 3.37Å; I578-N582 VanDerWaalsContact O-CG 3.3Å; I578-N582 PolarHBondContact O-N 2.86Å; I578-N582 PolarHBondContact O-ND2 2.65Å; I578-Y612 HydrophobicContact CD1-CD1 4.06Å; I578-Y612 HydrophobicContact CD1-CG 4.44Å; I578-Y612 HydrophobicContact CG1-CD1 3.74Å; I578-Y612 HydrophobicContact CG1-CE1 4.21Å; I578-Y612 HydrophobicContact CG1-CG 4.45Å; I578-V616 HydrophobicContact CD1-CG2 4.36Å
579Q97Very high96Very high125 Ų12558.5 Ų58.558%0.58429%0.286SS*.Hα-helixtrans-61.3-48.9172.4-177.7-179.8-4.600110.6P575 P576 L577 N582 M583P575-Q579 WeakPolarHBondContact O-CB 3.19Å; P575-Q579 PolarHBondContact O-N 2.72Å; P576-Q579 WeakPolarHBondContact O-CB 3.22Å; P576-Q579 PolarHBondContact O-N 3.21Å; L577-Q579 VanDerWaalsContact C-N 3.33Å; L577-Q579 PolarHBondContact O-N 2.93Å; Q579-N582 PolarHBondContact O-N 2.84Å; Q579-M583 HydrophobicContact CG-SD 4.22Å; Q579-M583 VanDerWaalsContact O-CG 3.3Å; Q579-M583 WeakPolarHBondContact O-CG 3.41Å; Q579-M583 PolarHBondContact O-N 2.92Å
580K95.9Very high95.6Very high45 Ų4559.2 Ų59.220%0.19629%0.291CS..Hα-helixtrans-63.8-42.2177.1-67.5-67.7-173.7171.20112F538 L546 Y550 P576 L577 N582 M583 L584 L594F538-K580 HydrophobicContact CD1-CG 4.18Å; F538-K580 HydrophobicContact CE1-CG 4.08Å; L546-K580 HydrophobicContact CD2-CD 4.08Å; L546-K580 VanDerWaalsContact CD2-NZ 3.33Å; Y550-K580 WeakPolarHBondContact OH-CB 3.32Å; Y550-K580 VanDerWaalsContact OH-CG 3.32Å; Y550-K580 WeakPolarHBondContact OH-CG 3.43Å; P576-K580 WeakPolarHBondContact O-CG 3.44Å; P576-K580 PolarHBondContact O-N 2.78Å; L577-K580 PolarHBondContact O-N 3.3Å; K580-N582 VanDerWaalsContact C-N 3.31Å; K580-N582 PolarHBondContact O-N 2.87Å; K580-M583 HydrophobicContact CD-SD 4.47Å; K580-M583 WeakPolarHBondContact O-CB 3.38Å; K580-M583 PolarHBondContact O-N 3.07Å; K580-L584 PolarHBondContact O-N 2.68Å; K580-L594 HydrophobicContact CB-CD2 4.16Å
581W96.3Very high95.3Very high7 Ų758.5 Ų58.53%0.02729%0.287CS..Hα-helixtrans-51.9-48.7173.8177.6-100.4000112.2L577 I578 M583 L591 L594 L595 L598 V616 R619 L655L577-W581 WeakPolarHBondContact O-CB 3.29Å; L577-W581 PolarHBondContact O-N 2.74Å; I578-W581 WeakPolarHBondContact O-CB 3.5Å; I578-W581 PolarHBondContact O-N 2.68Å; W581-M583 VanDerWaalsContact C-N 3.28Å; W581-M583 PolarHBondContact O-N 2.99Å; W581-L591 HydrophobicContact CE3-CD1 4Å; W581-L591 HydrophobicContact CZ3-CD1 3.95Å; W581-L594 HydrophobicContact CB-CD2 4.07Å; W581-L594 HydrophobicContact CE3-CD2 4.06Å; W581-L594 HydrophobicContact CE3-CG 4.37Å; W581-L595 HydrophobicContact CH2-CD2 3.62Å; W581-L595 HydrophobicContact CZ3-CD2 3.45Å; W581-L595 VanDerWaalsContact CZ3-CD2 3.45Å; W581-L595 HydrophobicContact CZ3-CG 4.02Å; W581-L598 HydrophobicContact CD2-CD1 4.21Å; W581-L598 HydrophobicContact CE3-CD1 3.53Å; W581-L598 HydrophobicContact CZ3-CD1 3.8Å; W581-V616 HydrophobicContact CH2-CG1 4.26Å; W581-V616 HydrophobicContact CZ2-CB 4.3Å; W581-V616 HydrophobicContact CZ2-CG1 4.2Å; W581-V616 HydrophobicContact CZ2-CG2 4.28Å; W581-R619 HydrophobicContact CH2-CB 4.2Å; W581-R619 HydrophobicContact CH2-CG 4.39Å; W581-R619 HydrophobicContact CZ2-CB 3.54Å; W581-R619 HydrophobicContact CZ2-CG 3.93Å; W581-R619 PolarHBondContact O-NH1 2.88Å; W581-L655 HydrophobicContact CH2-CD2 4.33Å; W581-L655 HydrophobicContact CZ3-CD2 4.49Å
582N96.5Very high95.1Very high115 Ų11551.9 Ų51.962%0.61526%0.257SS*.Hα-helixtrans-73.4-17.6-179.1-69.4-43.2000113.8I578 Q579 K580I578-N582 WeakPolarHBondContact CG2-ND2 3.48Å; I578-N582 WeakPolarHBondContact O-CB 3.37Å; I578-N582 VanDerWaalsContact O-CG 3.3Å; I578-N582 PolarHBondContact O-N 2.86Å; I578-N582 PolarHBondContact O-ND2 2.65Å; Q579-N582 PolarHBondContact O-N 2.84Å; K580-N582 VanDerWaalsContact C-N 3.31Å; K580-N582 PolarHBondContact O-N 2.87Å
583M95.5Very high94.9Very high121 Ų12149.6 Ų49.660%0.59625%0.245SC*.Hα-helixtrans-82.4-38.4178.7-74.5174.360.900112.6Q579 K580 W581Q579-M583 HydrophobicContact CG-SD 4.22Å; Q579-M583 VanDerWaalsContact O-CG 3.3Å; Q579-M583 WeakPolarHBondContact O-CG 3.41Å; Q579-M583 PolarHBondContact O-N 2.92Å; K580-M583 HydrophobicContact CD-SD 4.47Å; K580-M583 WeakPolarHBondContact O-CB 3.38Å; K580-M583 PolarHBondContact O-N 3.07Å; W581-M583 VanDerWaalsContact C-N 3.28Å; W581-M583 PolarHBondContact O-N 2.99Å
584L94.5Very high94.8Very high27 Ų2749.5 Ų49.514%0.14125%0.245CC..SBendtrans-74.6146.5-177-66.1174.7000111.6K580 D588 D590 L591 L594 R619K580-L584 PolarHBondContact O-N 2.68Å; L584-D588 WeakPolarHBondContact CD2-OD2 3.12Å; L584-D590 HydrophobicContact CD1-CB 4.22Å; L584-D590 WeakPolarHBondContact CD1-O 3.45Å; L584-D590 HydrophobicContact CD2-CB 3.76Å; L584-L591 HydrophobicContact CB-CD1 4.16Å; L584-L591 HydrophobicContact CD1-CD1 4.17Å; L584-L594 HydrophobicContact CD1-CD2 3.93Å; L584-R619 PolarHBondContact O-NH2 3.31Å
585K95.1Very high94.8Very high147 Ų14749.5 Ų49.564%0.63925%0.245SC*.  trans-91.5168.2175.7-63.8178.5-174.8167.90111.2E587 D588 R619K585-E587 VanDerWaalsContact C-N 3.25Å; K585-E587 PolarHBondContact O-N 2.85Å; K585-D588 HydrophobicContact CB-CB 4.4Å; K585-D588 WeakPolarHBondContact O-CB 3.38Å; K585-D588 PolarHBondContact O-N 2.78Å; K585-R619 VanDerWaalsContact C-NH2 3.3Å; K585-R619 PolarHBondContact O-NH2 2.83Å
586D94.2Very high94.6Very high36 Ų3649 Ų4919%0.19324%0.237CC..THydrogen-bonded Turntrans-74.2-17.7-178.9-71.1-3.3000113R619 L623 K626 F648D586-R619 IonicContact OD1-CZ 2.67Å; D586-R619 VanDerWaalsContact OD1-CZ 3.28Å; D586-R619 IonicContact OD1-NE 3.7Å; D586-R619 PolarHBondContact OD1-NE 3.31Å; D586-R619 IonicContact OD1-NH2 3.06Å; D586-R619 PolarHBondContact OD1-NH2 3.1Å; D586-L623 HydrophobicContact CB-CD2 3.79Å; D586-K626 IonicContact OD2-NZ 3.8Å; D586-K626 PolarHBondContact OD2-NZ 3.44Å; D586-F648 WeakPolarHBondContact O-CD1 3.42Å; D586-F648 WeakPolarHBondContact O-CE1 3.43Å
587E91.2Very high94.6Very high137 Ų13748.3 Ų48.364%0.6423%0.232SC*.THydrogen-bonded Turntrans-96.11.2177.2-51.577.6-163.600112.5K585K585-E587 VanDerWaalsContact C-N 3.25Å; K585-E587 PolarHBondContact O-N 2.85Å
588D91.6Very high94.6Very high53 Ų5348.3 Ų48.328%0.28323%0.232SC..  trans-88.6121.5-174.3-161.4-24.5000111L584 K585 D590 L591 F648L584-D588 WeakPolarHBondContact CD2-OD2 3.12Å; K585-D588 HydrophobicContact CB-CB 4.4Å; K585-D588 WeakPolarHBondContact O-CB 3.38Å; K585-D588 PolarHBondContact O-N 2.78Å; D588-D590 PolarHBondContact O-N 2.67Å; D588-D590 WeakPolarHBondContact OD1-CB 3.46Å; D588-D590 PolarHBondContact OD1-N 2.92Å; D588-D590 VanDerWaalsContact OD1-N 3.07Å; D588-L591 WeakPolarHBondContact O-CB 3.47Å; D588-L591 PolarHBondContact O-N 2.84Å; D588-L591 VanDerWaalsContact O-N 3.07Å; D588-F648 WeakPolarHBondContact O-CE1 3.4Å
589K90.1Very high94.6Very high71 Ų7147 Ų4731%0.30923%0.226SC..THydrogen-bonded Turntrans-69.1-18.7179.7-65.3-166.6176.1-127.90112.8L591 F592 D645 F648K589-L591 PolarHBondContact O-N 3.23Å; K589-L591 VanDerWaalsContact O-N 3.07Å; K589-F592 HydrophobicContact CB-CD2 4.37Å; K589-F592 HydrophobicContact CB-CE2 4.03Å; K589-F592 HydrophobicContact CB-CZ 4.35Å; K589-F592 HydrophobicContact CD-CE2 4.23Å; K589-F592 HydrophobicContact CG-CE2 4Å; K589-F592 HydrophobicContact CG-CZ 4.08Å; K589-F592 WeakPolarHBondContact O-CG 3.48Å; K589-F592 PolarHBondContact O-N 3.25Å; K589-D645 WeakPolarHBondContact CE-OD2 3.43Å; K589-D645 IonicContact NZ-OD2 2.62Å; K589-D645 PolarHBondContact NZ-OD2 2.93Å; K589-F648 HydrophobicContact CG-CZ 4.36Å
590D89.9Confident94.6Very high37 Ų3741.6 Ų41.620%0.19820%0.202CC..THydrogen-bonded Turntrans-63.3-11.9170.9-70.8-16.6000112.6H543 L584 D588 F592 P593H543-D590 IonicContact CD2-OD1 2.94Å; H543-D590 IonicContact CD2-OD2 3.88Å; H543-D590 IonicContact CE1-OD1 3.01Å; H543-D590 IonicContact CE1-OD2 2.72Å; H543-D590 PolarHBondContact CE1-OD2 2.84Å; H543-D590 IonicContact NE2-OD1 2.92Å; H543-D590 PolarHBondContact NE2-OD1 3.4Å; H543-D590 IonicContact NE2-OD2 2.74Å; H543-D590 PolarHBondContact NE2-OD2 3.43Å; L584-D590 HydrophobicContact CD1-CB 4.22Å; L584-D590 WeakPolarHBondContact CD1-O 3.45Å; L584-D590 HydrophobicContact CD2-CB 3.76Å; D588-D590 PolarHBondContact O-N 2.67Å; D588-D590 WeakPolarHBondContact OD1-CB 3.46Å; D588-D590 PolarHBondContact OD1-N 2.92Å; D588-D590 VanDerWaalsContact OD1-N 3.07Å; D590-F592 VanDerWaalsContact C-N 3.3Å; D590-P593 WeakPolarHBondContact O-CD 3.49Å
591L92.8Very high94.8Very high0 Ų039.4 Ų39.40%019%0.193CC..Hα-helixtrans-70.5-25.3173.6-165.264.4000112.4W581 L584 D588 K589 L594 L595 L623W581-L591 HydrophobicContact CE3-CD1 4Å; W581-L591 HydrophobicContact CZ3-CD1 3.95Å; L584-L591 HydrophobicContact CB-CD1 4.16Å; L584-L591 HydrophobicContact CD1-CD1 4.17Å; D588-L591 WeakPolarHBondContact O-CB 3.47Å; D588-L591 PolarHBondContact O-N 2.84Å; D588-L591 VanDerWaalsContact O-N 3.07Å; K589-L591 PolarHBondContact O-N 3.23Å; K589-L591 VanDerWaalsContact O-N 3.07Å; L591-L594 PolarHBondContact O-N 3.48Å; L591-L595 HydrophobicContact CB-CD1 4.48Å; L591-L595 HydrophobicContact CD2-CD1 3.95Å; L591-L595 HydrophobicContact CG-CD1 3.65Å; L591-L595 HydrophobicContact CG-CG 4Å; L591-L595 WeakPolarHBondContact O-CB 3.09Å; L591-L595 WeakPolarHBondContact O-CG 3.44Å; L591-L595 PolarHBondContact O-N 3.44Å; L591-L623 HydrophobicContact CD2-CD1 3.93Å
592F93.5Very high94.9Very high2 Ų239.1 Ų39.11%0.00919%0.192CC..Hα-helixtrans-60.8-54.3-176.1-51.5-25.6000112.4H348 K589 D590 L594 L595 E596 D647 F648 V651H348-F592 HydrophobicContact CB-CD2 4.46Å; K589-F592 HydrophobicContact CB-CD2 4.37Å; K589-F592 HydrophobicContact CB-CE2 4.03Å; K589-F592 HydrophobicContact CB-CZ 4.35Å; K589-F592 HydrophobicContact CD-CE2 4.23Å; K589-F592 HydrophobicContact CG-CE2 4Å; K589-F592 HydrophobicContact CG-CZ 4.08Å; K589-F592 WeakPolarHBondContact O-CG 3.48Å; K589-F592 PolarHBondContact O-N 3.25Å; D590-F592 VanDerWaalsContact C-N 3.3Å; F592-L594 PolarHBondContact O-N 3.15Å; F592-L595 WeakPolarHBondContact O-CB 3.46Å; F592-L595 PolarHBondContact O-N 3.03Å; F592-L595 VanDerWaalsContact O-N 3.08Å; F592-E596 WeakPolarHBondContact O-CG 3.34Å; F592-E596 PolarHBondContact O-N 3.44Å; F592-D647 HydrophobicContact CE1-CB 4.08Å; F592-D647 HydrophobicContact CE2-CB 3.87Å; F592-D647 HydrophobicContact CZ-CB 3.58Å; F592-F648 HydrophobicContact CD1-CD1 4.35Å; F592-F648 HydrophobicContact CD1-CE1 4.32Å; F592-F648 HydrophobicContact CE1-CB 4.44Å; F592-F648 AromaticContact CE1-CD1 3.54Å; F592-F648 HydrophobicContact CE1-CD1 3.54Å; F592-F648 AromaticContact CE1-CD2 3.87Å; F592-F648 HydrophobicContact CE1-CD2 3.87Å; F592-F648 AromaticContact CE1-CE1 3.53Å; F592-F648 HydrophobicContact CE1-CE1 3.53Å; F592-F648 AromaticContact CE1-CE2 3.87Å; F592-F648 HydrophobicContact CE1-CE2 3.87Å; F592-F648 AromaticContact CE1-CG 3.7Å; F592-F648 HydrophobicContact CE1-CG 3.7Å; F592-F648 AromaticContact CE1-CZ 3.7Å; F592-F648 HydrophobicContact CE1-CZ 3.7Å; F592-F648 HydrophobicContact CZ-CD1 4.42Å; F592-F648 AromaticContact CZ-CD2 4Å; F592-F648 HydrophobicContact CZ-CD2 4Å; F592-F648 HydrophobicContact CZ-CE1 4.22Å; F592-F648 AromaticContact CZ-CE2 3.79Å; F592-F648 HydrophobicContact CZ-CE2 3.79Å; F592-F648 HydrophobicContact CZ-CG 4.3Å; F592-F648 AromaticContact CZ-CZ 3.9Å; F592-F648 HydrophobicContact CZ-CZ 3.9Å; F592-V651 HydrophobicContact CB-CG1 4.18Å; F592-V651 HydrophobicContact CD1-CG1 4.49Å; F592-V651 HydrophobicContact CD1-CG2 3.81Å; F592-V651 HydrophobicContact CE1-CG2 4.35Å
593P93Very high94.9Very high4 Ų434.4 Ų34.43%0.02617%0.167CC..Hα-helixtrans-67.4-29.1-177.1-21.137.4000112.3R346 L547 Y550 D590 C597R346-P593 VanDerWaalsContact NH1-CG 3.29Å; L547-P593 HydrophobicContact CD2-CG 4.24Å; Y550-P593 HydrophobicContact CD2-CB 4.01Å; D590-P593 WeakPolarHBondContact O-CD 3.49Å; P593-C597 WeakPolarHBondContact O-CB 3.07Å; P593-C597 PolarHBondContact O-N 3.39Å
594L95.8Very high95Very high0 Ų028.8 Ų28.80%014%0.14CC..Hα-helixtrans-71-37.9174.7-179.760.4000112.1Y550 L577 K580 W581 L584 L591 F592 L598Y550-L594 HydrophobicContact CD1-CD1 4.03Å; Y550-L594 HydrophobicContact CD2-CB 4.47Å; Y550-L594 HydrophobicContact CE1-CD1 3.69Å; Y550-L594 HydrophobicContact CE2-CB 4.25Å; L577-L594 HydrophobicContact CD2-CD1 3.88Å; K580-L594 HydrophobicContact CB-CD2 4.16Å; W581-L594 HydrophobicContact CB-CD2 4.07Å; W581-L594 HydrophobicContact CE3-CD2 4.06Å; W581-L594 HydrophobicContact CE3-CG 4.37Å; L584-L594 HydrophobicContact CD1-CD2 3.93Å; L591-L594 PolarHBondContact O-N 3.48Å; F592-L594 PolarHBondContact O-N 3.15Å; L594-L598 HydrophobicContact CD1-CD1 4.24Å; L594-L598 HydrophobicContact CD1-CG 4.21Å; L594-L598 HydrophobicContact CG-CD1 4.13Å; L594-L598 VanDerWaalsContact O-CB 3.31Å; L594-L598 WeakPolarHBondContact O-CB 3.41Å; L594-L598 VanDerWaalsContact O-CG 3.24Å; L594-L598 WeakPolarHBondContact O-CG 3.15Å; L594-L598 PolarHBondContact O-N 3.24Å
595L96.8Very high95.2Very high0 Ų027.5 Ų27.50%013%0.133CC..Hα-helixtrans-66-44.2175-79164.3000111W581 L591 F592 L598 S599 L623 V651 L655W581-L595 HydrophobicContact CH2-CD2 3.62Å; W581-L595 HydrophobicContact CZ3-CD2 3.45Å; W581-L595 VanDerWaalsContact CZ3-CD2 3.45Å; W581-L595 HydrophobicContact CZ3-CG 4.02Å; L591-L595 HydrophobicContact CB-CD1 4.48Å; L591-L595 HydrophobicContact CD2-CD1 3.95Å; L591-L595 HydrophobicContact CG-CD1 3.65Å; L591-L595 HydrophobicContact CG-CG 4Å; L591-L595 WeakPolarHBondContact O-CB 3.09Å; L591-L595 WeakPolarHBondContact O-CG 3.44Å; L591-L595 PolarHBondContact O-N 3.44Å; F592-L595 WeakPolarHBondContact O-CB 3.46Å; F592-L595 PolarHBondContact O-N 3.03Å; F592-L595 VanDerWaalsContact O-N 3.08Å; L595-L598 PolarHBondContact O-N 3.36Å; L595-S599 PolarHBondContact O-N 2.93Å; L595-S599 PolarHBondContact O-OG 2.87Å; L595-L623 HydrophobicContact CD1-CD1 4.2Å; L595-V651 HydrophobicContact CB-CB 3.9Å; L595-V651 HydrophobicContact CB-CG2 4.31Å; L595-V651 HydrophobicContact CD1-CB 3.86Å; L595-V651 HydrophobicContact CD1-CG2 3.32Å; L595-V651 HydrophobicContact CG-CB 4.49Å; L595-V651 HydrophobicContact CG-CG2 4.42Å; L595-L655 HydrophobicContact CD2-CB 4.26Å; L595-L655 HydrophobicContact CD2-CD2 3.39Å; L595-L655 HydrophobicContact CD2-CG 4.46Å
596E94.6Very high95.4Very high54 Ų5424.5 Ų24.525%0.25212%0.121SC..Hα-helixtrans-57.7-53.7174.8-70.4161.9-177.400110.5H348 F592 L598 S599 S600 V651H348-E596 IonicContact CE1-OE1 2.76Å; H348-E596 IonicContact CG-OE1 3.22Å; H348-E596 IonicContact ND1-OE1 3.41Å; H348-E596 PolarHBondContact ND1-OE1 3.31Å; F592-E596 WeakPolarHBondContact O-CG 3.34Å; F592-E596 PolarHBondContact O-N 3.44Å; E596-L598 PolarHBondContact O-N 3.09Å; E596-S599 WeakPolarHBondContact O-CA 3.34Å; E596-S599 WeakPolarHBondContact O-CB 3.42Å; E596-S599 PolarHBondContact O-N 3.02Å; E596-S600 PolarHBondContact O-N 3.42Å; E596-V651 HydrophobicContact CG-CG1 4.18Å
597C96.9Very high95.5Very high3 Ų325.8 Ų25.82%0.0213%0.133CC..Hα-helixtrans-55.3-46.6175.2172.60000112.8Y550 I553 P593 S599 S600 V601Y550-C597 WeakPolarHBondContact O-CB 3.13Å; Y550-C597 PolarHBondContact O-SG 2.95Å; I553-C597 VanDerWaalsContact CG2-SG 3.54Å; P593-C597 WeakPolarHBondContact O-CB 3.07Å; P593-C597 PolarHBondContact O-N 3.39Å; C597-S599 PolarHBondContact O-N 2.98Å; C597-S600 PolarHBondContact O-N 3.03Å; C597-V601 WeakPolarHBondContact O-CB 3.48Å; C597-V601 VanDerWaalsContact O-CG2 3.25Å; C597-V601 WeakPolarHBondContact O-CG2 3.06Å; C597-V601 PolarHBondContact O-N 3.36Å
598L98.2Very high95.8Very high0 Ų019.8 Ų19.80%011%0.108CC..Hα-helixtrans-64.4-24.8177.1-76.8173.1000112.9M574 L577 W581 L594 L595 E596 A602 F609 L655M574-L598 HydrophobicContact CE-CD2 4.25Å; L577-L598 HydrophobicContact CB-CD2 4.33Å; L577-L598 HydrophobicContact CD1-CD2 4.27Å; W581-L598 HydrophobicContact CD2-CD1 4.21Å; W581-L598 HydrophobicContact CE3-CD1 3.53Å; W581-L598 HydrophobicContact CZ3-CD1 3.8Å; L594-L598 HydrophobicContact CD1-CD1 4.24Å; L594-L598 HydrophobicContact CD1-CG 4.21Å; L594-L598 HydrophobicContact CG-CD1 4.13Å; L594-L598 VanDerWaalsContact O-CB 3.31Å; L594-L598 WeakPolarHBondContact O-CB 3.41Å; L594-L598 VanDerWaalsContact O-CG 3.24Å; L594-L598 WeakPolarHBondContact O-CG 3.15Å; L594-L598 PolarHBondContact O-N 3.24Å; L595-L598 PolarHBondContact O-N 3.36Å; E596-L598 PolarHBondContact O-N 3.09Å; L598-A602 WeakPolarHBondContact O-CB 3.45Å; L598-A602 PolarHBondContact O-N 3.47Å; L598-F609 HydrophobicContact CD2-CE2 4.23Å; L598-F609 HydrophobicContact CD2-CZ 4.27Å; L598-L655 VanDerWaalsContact C-CD1 3.45Å; L598-L655 HydrophobicContact CB-CD1 3.88Å; L598-L655 HydrophobicContact CB-CD2 3.91Å; L598-L655 HydrophobicContact CD1-CD2 4.4Å; L598-L655 WeakPolarHBondContact O-CD1 3.41Å
599S97.4Very high96.1Very high4 Ų417.2 Ų17.23%0.0289%0.094CC..Hα-helixtrans-69.6-48.7179.3-55.80000110.3L595 E596 C597 A602 T603 L655L595-S599 PolarHBondContact O-N 2.93Å; L595-S599 PolarHBondContact O-OG 2.87Å; E596-S599 WeakPolarHBondContact O-CA 3.34Å; E596-S599 WeakPolarHBondContact O-CB 3.42Å; E596-S599 PolarHBondContact O-N 3.02Å; C597-S599 PolarHBondContact O-N 2.98Å; S599-A602 PolarHBondContact O-N 3.4Å; S599-T603 PolarHBondContact O-N 3.36Å; S599-T603 PolarHBondContact O-OG1 3.47Å; S599-L655 WeakPolarHBondContact OG-CA 3.41Å; S599-L655 WeakPolarHBondContact OG-CB 3.49Å; S599-L655 PolarHBondContact OG-N 2.97Å
600S97.6Very high96.5Very high10 Ų1017.3 Ų17.37%0.0710%0.098CC..Hα-helixtrans-63.6-44.9173.9-55.30000111.3G554 D558 E596 C597 A602 T603 A604G554-S600 WeakPolarHBondContact O-CB 3.3Å; D558-S600 VanDerWaalsContact CG-CB 3.47Å; D558-S600 VanDerWaalsContact CG-OG 3.28Å; D558-S600 VanDerWaalsContact OD1-CB 3.29Å; D558-S600 WeakPolarHBondContact OD1-CB 3.32Å; D558-S600 PolarHBondContact OD1-OG 3.35Å; D558-S600 VanDerWaalsContact OD2-CB 3.23Å; D558-S600 WeakPolarHBondContact OD2-CB 3.38Å; D558-S600 PolarHBondContact OD2-OG 3.14Å; E596-S600 PolarHBondContact O-N 3.42Å; C597-S600 PolarHBondContact O-N 3.03Å; S600-A602 PolarHBondContact O-N 3.05Å; S600-T603 WeakPolarHBondContact O-CB 3.49Å; S600-T603 PolarHBondContact O-N 2.95Å; S600-A604 WeakPolarHBondContact O-CB 3.38Å; S600-A604 PolarHBondContact O-N 2.93Å
601V98.4Very high96.8Very high0 Ų020.2 Ų20.20%012%0.119CC..Hα-helixtrans-62.8-42.3177.6171.90000112.2I553 A557 L573 M574 L577 C597 T603 A604 L605 F609I553-V601 HydrophobicContact CG2-CG2 3.93Å; A557-V601 HydrophobicContact CB-CG2 3.99Å; L573-V601 HydrophobicContact CD2-CG1 4.28Å; L573-V601 HydrophobicContact CD2-CG2 4.25Å; M574-V601 HydrophobicContact SD-CG1 3.68Å; L577-V601 HydrophobicContact CD1-CG1 4.46Å; L577-V601 HydrophobicContact CD1-CG2 4.33Å; C597-V601 WeakPolarHBondContact O-CB 3.48Å; C597-V601 VanDerWaalsContact O-CG2 3.25Å; C597-V601 WeakPolarHBondContact O-CG2 3.06Å; C597-V601 PolarHBondContact O-N 3.36Å; V601-T603 VanDerWaalsContact C-N 3.32Å; V601-T603 PolarHBondContact O-N 3.45Å; V601-A604 PolarHBondContact O-N 3.22Å; V601-L605 HydrophobicContact CG1-CD1 3.63Å; V601-L605 HydrophobicContact CG1-CG 3.91Å; V601-L605 VanDerWaalsContact O-CB 3.28Å; V601-L605 WeakPolarHBondContact O-CB 3.29Å; V601-L605 VanDerWaalsContact O-CG 3.24Å; V601-L605 WeakPolarHBondContact O-CG 3.43Å; V601-L605 PolarHBondContact O-N 2.71Å; V601-F609 HydrophobicContact CG1-CD2 4.48Å; V601-F609 HydrophobicContact CG1-CE2 4.32Å
602A98.3Very high97.1Very high1 Ų122.6 Ų22.61%0.00813%0.128CC..Hα-helixtrans-61.4-42.2177.600000111.9L598 S599 S600 Q606 F609 L655 L659L598-A602 WeakPolarHBondContact O-CB 3.45Å; L598-A602 PolarHBondContact O-N 3.47Å; S599-A602 PolarHBondContact O-N 3.4Å; S600-A602 PolarHBondContact O-N 3.05Å; A602-Q606 PolarHBondContact O-N 2.96Å; A602-F609 HydrophobicContact CB-CD1 4.5Å; A602-F609 HydrophobicContact CB-CD2 4.09Å; A602-F609 HydrophobicContact CB-CE2 4.13Å; A602-F609 HydrophobicContact CB-CG 4.28Å; A602-F609 HydrophobicContact CB-CZ 4.39Å; A602-L655 HydrophobicContact CB-CD1 4.37Å; A602-L659 HydrophobicContact CB-CD2 3.89Å; A602-L659 HydrophobicContact CB-CG 4.32Å
603T97.9Very high97.3Very high15 Ų1523.1 Ų23.19%0.09213%0.132CC..Hα-helixtrans-62.1-49.8176.9-53.30000110.9S599 S600 V601 Q606 G658 E661S599-T603 PolarHBondContact O-N 3.36Å; S599-T603 PolarHBondContact O-OG1 3.47Å; S600-T603 WeakPolarHBondContact O-CB 3.49Å; S600-T603 PolarHBondContact O-N 2.95Å; V601-T603 VanDerWaalsContact C-N 3.32Å; V601-T603 PolarHBondContact O-N 3.45Å; T603-Q606 WeakPolarHBondContact O-CG 3.31Å; T603-G658 WeakPolarHBondContact OG1-CA 3.36Å; T603-G658 PolarHBondContact OG1-O 3.25Å; T603-E661 HydrophobicContact CG2-CB 4.5Å; T603-E661 HydrophobicContact CG2-CG 4.02Å
604A98.1Very high97.5Very high3 Ų327.3 Ų27.33%0.02515%0.151CC..Hα-helixtrans-66.6-41.1-179.100000113.5A557 H562 L564 S600 V601 Q606A557-A604 HydrophobicContact CB-CB 3.87Å; A557-A604 WeakPolarHBondContact O-CB 3.33Å; H562-A604 WeakPolarHBondContact CA-O 3.47Å; L564-A604 HydrophobicContact CB-CB 4.42Å; L564-A604 HydrophobicContact CD2-CB 4.25Å; S600-A604 WeakPolarHBondContact O-CB 3.38Å; S600-A604 PolarHBondContact O-N 2.93Å; V601-A604 PolarHBondContact O-N 3.22Å; A604-Q606 VanDerWaalsContact C-N 3.34Å; A604-Q606 PolarHBondContact O-N 2.95Å
605L98.4Very high97.5Very high0 Ų030.6 Ų30.60%017%0.172CC..Hα-helixtrans-77.4-18.6-177.3-67.5-168.5000113.7L564 N565 I570 M574 V601 S607 G608 F609L564-L605 HydrophobicContact CB-CD2 4Å; L564-L605 HydrophobicContact CD2-CD2 3.97Å; L564-L605 HydrophobicContact CG-CD2 3.69Å; L564-L605 WeakPolarHBondContact O-CD2 3.44Å; N565-L605 WeakPolarHBondContact CB-O 3.4Å; N565-L605 PolarHBondContact ND2-O 2.78Å; N565-L605 VanDerWaalsContact ND2-O 3.15Å; N565-L605 PolarHBondContact OD1-O 3.41Å; N565-L605 VanDerWaalsContact OD1-O 3.12Å; I570-L605 HydrophobicContact CD1-CD2 4.48Å; I570-L605 HydrophobicContact CG1-CD1 4.07Å; I570-L605 HydrophobicContact CG1-CD2 3.75Å; I570-L605 HydrophobicContact CG1-CG 4.45Å; M574-L605 HydrophobicContact CG-CD1 3.84Å; M574-L605 HydrophobicContact SD-CD1 3.66Å; V601-L605 HydrophobicContact CG1-CD1 3.63Å; V601-L605 HydrophobicContact CG1-CG 3.91Å; V601-L605 VanDerWaalsContact O-CB 3.28Å; V601-L605 WeakPolarHBondContact O-CB 3.29Å; V601-L605 VanDerWaalsContact O-CG 3.24Å; V601-L605 WeakPolarHBondContact O-CG 3.43Å; V601-L605 PolarHBondContact O-N 2.71Å; L605-S607 PolarHBondContact O-N 3.33Å; L605-G608 WeakPolarHBondContact O-CA 3.26Å; L605-G608 PolarHBondContact O-N 3.16Å; L605-F609 HydrophobicContact CB-CB 4.26Å; L605-F609 HydrophobicContact CD1-CD2 4.19Å
606Q98Very high97.6Very high84 Ų8430.6 Ų30.639%0.39317%0.172SC..G310 helixtrans48.2-127.4-179.8-56.8176.4-22.700112.3A602 T603 A604 G608 F609 G662 L663A602-Q606 PolarHBondContact O-N 2.96Å; T603-Q606 WeakPolarHBondContact O-CG 3.31Å; A604-Q606 VanDerWaalsContact C-N 3.34Å; A604-Q606 PolarHBondContact O-N 2.95Å; Q606-G608 PolarHBondContact O-N 2.92Å; Q606-F609 WeakPolarHBondContact O-CB 3.48Å; Q606-F609 PolarHBondContact O-N 3.12Å; Q606-G662 CarbonylContact C-O 3.5Å; Q606-G662 WeakPolarHBondContact CA-O 3.39Å; Q606-G662 WeakPolarHBondContact CB-O 3.33Å; Q606-L663 WeakPolarHBondContact O-CD2 3.36Å
607S97Very high97.8Very high63 Ų6328.3 Ų28.344%0.44116%0.161SC..G310 helixtrans-58.9-19.9175.961.70000114.3L605 F609 L610L605-S607 PolarHBondContact O-N 3.33Å; S607-F609 PolarHBondContact O-N 2.93Å; S607-L610 WeakPolarHBondContact O-CB 3.06Å; S607-L610 WeakPolarHBondContact O-CD1 3.36Å; S607-L610 WeakPolarHBondContact O-CG 3.43Å; S607-L610 PolarHBondContact O-N 3.41Å
608G97.9Very high97.8Very high11 Ų1132.8 Ų32.811%0.11318%0.182CC..G310 helixtrans-61.8-23.1172.700000113.5L605 Q606 L610 P611L605-G608 WeakPolarHBondContact O-CA 3.26Å; L605-G608 PolarHBondContact O-N 3.16Å; Q606-G608 PolarHBondContact O-N 2.92Å; G608-L610 VanDerWaalsContact C-N 3.34Å; G608-P611 VanDerWaalsContact O-CD 3.32Å; G608-P611 WeakPolarHBondContact O-CD 3.48Å
609F98.2Very high97.8Very high0 Ų034.4 Ų34.40%019%0.188CC..G310 helixtrans-80.7-10.2177.8-155.6-88.4000113.6M574 L598 V601 A602 L605 Q606 S607 P611 Y612 C613 V616 L659 L663M574-F609 HydrophobicContact CE-CD2 3.95Å; M574-F609 HydrophobicContact CE-CE2 3.35Å; M574-F609 HydrophobicContact CE-CZ 3.9Å; M574-F609 HydrophobicContact SD-CD2 4.25Å; M574-F609 HydrophobicContact SD-CE2 3.99Å; L598-F609 HydrophobicContact CD2-CE2 4.23Å; L598-F609 HydrophobicContact CD2-CZ 4.27Å; V601-F609 HydrophobicContact CG1-CD2 4.48Å; V601-F609 HydrophobicContact CG1-CE2 4.32Å; A602-F609 HydrophobicContact CB-CD1 4.5Å; A602-F609 HydrophobicContact CB-CD2 4.09Å; A602-F609 HydrophobicContact CB-CE2 4.13Å; A602-F609 HydrophobicContact CB-CG 4.28Å; A602-F609 HydrophobicContact CB-CZ 4.39Å; L605-F609 HydrophobicContact CB-CB 4.26Å; L605-F609 HydrophobicContact CD1-CD2 4.19Å; Q606-F609 WeakPolarHBondContact O-CB 3.48Å; Q606-F609 PolarHBondContact O-N 3.12Å; S607-F609 PolarHBondContact O-N 2.93Å; F609-P611 VanDerWaalsContact C-N 3.33Å; F609-P611 VanDerWaalsContact O-N 3.14Å; F609-Y612 PolarHBondContact O-N 3.36Å; F609-C613 HydrophobicContact CD1-CB 4.01Å; F609-C613 HydrophobicContact CE1-CB 4.47Å; F609-C613 PolarHBondContact O-N 2.82Å; F609-C613 VanDerWaalsContact O-N 3.09Å; F609-V616 HydrophobicContact CE1-CB 4.3Å; F609-V616 HydrophobicContact CE1-CG1 4.45Å; F609-V616 HydrophobicContact CE1-CG2 4.18Å; F609-V616 HydrophobicContact CZ-CG2 4.18Å; F609-L659 HydrophobicContact CD1-CD2 3.6Å; F609-L659 HydrophobicContact CE1-CD2 3.55Å; F609-L659 HydrophobicContact CZ-CD2 4.42Å; F609-L663 HydrophobicContact CB-CD2 4.26Å
610L97.6Very high97.9Very high72 Ų7234.2 Ų34.238%0.37719%0.187SC..Hα-helixtrans-49.9-40.5-176.8-75.4171.2000115.3S607 G608 Y612 C613 L663 N666S607-L610 WeakPolarHBondContact O-CB 3.06Å; S607-L610 WeakPolarHBondContact O-CD1 3.36Å; S607-L610 WeakPolarHBondContact O-CG 3.43Å; S607-L610 PolarHBondContact O-N 3.41Å; G608-L610 VanDerWaalsContact C-N 3.34Å; L610-Y612 PolarHBondContact O-N 3.37Å; L610-Y612 VanDerWaalsContact O-N 3.14Å; L610-C613 PolarHBondContact O-N 3.34Å; L610-C613 PolarHBondContact O-SG 3.19Å; L610-L663 HydrophobicContact CD2-CD2 3.85Å; L610-L663 HydrophobicContact CG-CD2 4.11Å; L610-N666 HydrophobicContact CD2-CB 3.76Å
611P97.5Very high97.9Very high99 Ų9934.1 Ų34.164%0.64319%0.186SC*.Hα-helixtrans-63.2-18.8178.3-22.935.5000114.3G608 F609G608-P611 VanDerWaalsContact O-CD 3.32Å; G608-P611 WeakPolarHBondContact O-CD 3.48Å; F609-P611 VanDerWaalsContact C-N 3.33Å; F609-P611 VanDerWaalsContact O-N 3.14Å
612Y97.6Very high97.9Very high50 Ų5037.8 Ų37.820%0.19621%0.205CC..Hα-helixtrans-112.2-14.6-173-48.3-76.2000113I570 M574 I578 F609 L610 E614 P615 V616I570-Y612 HydrophobicContact CG2-CE2 3.95Å; M574-Y612 HydrophobicContact CB-CD2 4.27Å; M574-Y612 HydrophobicContact CB-CE1 3.94Å; M574-Y612 HydrophobicContact CB-CE2 3.67Å; M574-Y612 VanDerWaalsContact CB-CZ 3.46Å; M574-Y612 HydrophobicContact CE-CD1 4.31Å; M574-Y612 HydrophobicContact CE-CD2 3.82Å; M574-Y612 HydrophobicContact CE-CE2 4.35Å; M574-Y612 HydrophobicContact CE-CG 3.79Å; M574-Y612 HydrophobicContact CG-CD2 4.02Å; M574-Y612 HydrophobicContact CG-CE2 3.62Å; I578-Y612 HydrophobicContact CD1-CD1 4.06Å; I578-Y612 HydrophobicContact CD1-CG 4.44Å; I578-Y612 HydrophobicContact CG1-CD1 3.74Å; I578-Y612 HydrophobicContact CG1-CE1 4.21Å; I578-Y612 HydrophobicContact CG1-CG 4.45Å; F609-Y612 PolarHBondContact O-N 3.36Å; L610-Y612 PolarHBondContact O-N 3.37Å; L610-Y612 VanDerWaalsContact O-N 3.14Å; Y612-E614 PolarHBondContact O-N 3.41Å; Y612-P615 VanDerWaalsContact O-CD 3.31Å; Y612-P615 WeakPolarHBondContact O-CD 3.19Å; Y612-P615 WeakPolarHBondContact O-CG 3.39Å; Y612-V616 VanDerWaalsContact O-CG2 3.3Å; Y612-V616 WeakPolarHBondContact O-CG2 3.39Å
613C97.2Very high97.9Very high13 Ų1337.9 Ų37.99%0.08821%0.206CC..Hα-helixtrans-62.9-42.1-168.667.70000114.8F609 L610 V616 Y617 L659 L663 L670F609-C613 HydrophobicContact CD1-CB 4.01Å; F609-C613 HydrophobicContact CE1-CB 4.47Å; F609-C613 PolarHBondContact O-N 2.82Å; F609-C613 VanDerWaalsContact O-N 3.09Å; L610-C613 PolarHBondContact O-N 3.34Å; L610-C613 PolarHBondContact O-SG 3.19Å; C613-V616 PolarHBondContact O-N 2.92Å; C613-Y617 WeakPolarHBondContact O-CB 3.45Å; C613-Y617 PolarHBondContact O-N 3.15Å; C613-L659 HydrophobicContact CB-CD2 4.4Å; C613-L663 HydrophobicContact CB-CD1 3.7Å; C613-L670 HydrophobicContact CB-CD1 4.27Å
614E97.3Very high98Very high91 Ų9137.2 Ų37.243%0.42520%0.202SC..Hα-helixtrans-62.6-52.5-173.7-175.8166-157.500113.8Y612 V616 Q618 L670Y612-E614 PolarHBondContact O-N 3.41Å; E614-V616 VanDerWaalsContact C-N 3.31Å; E614-V616 PolarHBondContact O-N 3.01Å; E614-Q618 WeakPolarHBondContact O-CB 3.4Å; E614-Q618 VanDerWaalsContact O-CG 3.25Å; E614-Q618 WeakPolarHBondContact O-CG 3.45Å; E614-Q618 PolarHBondContact O-N 2.75Å; E614-Q618 PolarHBondContact OE1-NE2 3.49Å; E614-L670 HydrophobicContact CB-CD2 4.1Å; E614-L670 HydrophobicContact CG-CD2 3.99Å
615P97.2Very high98Very high69 Ų6940.9 Ų40.945%0.44822%0.219SC..Hα-helixtrans-64.7-34.7177.324.4-34.1000112.9Y612 R619Y612-P615 VanDerWaalsContact O-CD 3.31Å; Y612-P615 WeakPolarHBondContact O-CD 3.19Å; Y612-P615 WeakPolarHBondContact O-CG 3.39Å; P615-R619 PolarHBondContact O-N 3.18Å; P615-R619 VanDerWaalsContact O-N 3.17Å
616V98.1Very high97.9Very high0 Ų045.8 Ų45.80%024%0.24CC..Hα-helixtrans-66.2-51.7178.2175.80000110.5I578 W581 F609 Y612 C613 E614 Q618 R619 C620 L655 L659I578-V616 HydrophobicContact CD1-CG2 4.36Å; W581-V616 HydrophobicContact CH2-CG1 4.26Å; W581-V616 HydrophobicContact CZ2-CB 4.3Å; W581-V616 HydrophobicContact CZ2-CG1 4.2Å; W581-V616 HydrophobicContact CZ2-CG2 4.28Å; F609-V616 HydrophobicContact CE1-CB 4.3Å; F609-V616 HydrophobicContact CE1-CG1 4.45Å; F609-V616 HydrophobicContact CE1-CG2 4.18Å; F609-V616 HydrophobicContact CZ-CG2 4.18Å; Y612-V616 VanDerWaalsContact O-CG2 3.3Å; Y612-V616 WeakPolarHBondContact O-CG2 3.39Å; C613-V616 PolarHBondContact O-N 2.92Å; E614-V616 VanDerWaalsContact C-N 3.31Å; E614-V616 PolarHBondContact O-N 3.01Å; V616-Q618 PolarHBondContact O-N 3.07Å; V616-R619 PolarHBondContact O-N 2.92Å; V616-C620 PolarHBondContact O-N 3.2Å; V616-C620 VanDerWaalsContact O-N 3.09Å; V616-C620 PolarHBondContact O-SG 3.14Å; V616-L655 HydrophobicContact CG1-CD1 4.43Å; V616-L655 HydrophobicContact CG1-CD2 3.48Å; V616-L655 VanDerWaalsContact CG1-CD2 3.48Å; V616-L655 HydrophobicContact CG1-CG 4.06Å; V616-L659 HydrophobicContact CG1-CD1 4.14Å
617Y98.6Very high97.9Very high6 Ų642.2 Ų42.22%0.02422%0.224CC..Hα-helixtrans-58.1-47.2178.1-177.2-86000111.9C613 R619 C620 V621 L656 L659 I667 L670 V671 S674 I676C613-Y617 WeakPolarHBondContact O-CB 3.45Å; C613-Y617 PolarHBondContact O-N 3.15Å; Y617-R619 VanDerWaalsContact C-N 3.32Å; Y617-R619 PolarHBondContact O-N 3.29Å; Y617-C620 PolarHBondContact O-N 2.92Å; Y617-V621 HydrophobicContact CD1-CG2 3.98Å; Y617-V621 HydrophobicContact CE1-CG2 3.64Å; Y617-V621 WeakPolarHBondContact O-CG2 3.45Å; Y617-V621 PolarHBondContact O-N 3.08Å; Y617-L656 HydrophobicContact CD2-CD2 3.29Å; Y617-L656 HydrophobicContact CE2-CD2 3.45Å; Y617-L656 VanDerWaalsContact CE2-CD2 3.45Å; Y617-L656 HydrophobicContact CG-CD2 3.94Å; Y617-L659 HydrophobicContact CD2-CD1 4.22Å; Y617-I667 HydrophobicContact CD2-CD1 4.19Å; Y617-I667 HydrophobicContact CD2-CG1 4.41Å; Y617-I667 HydrophobicContact CE2-CD1 3.98Å; Y617-I667 HydrophobicContact CE2-CG1 4.19Å; Y617-L670 HydrophobicContact CD1-CB 3.81Å; Y617-L670 HydrophobicContact CD1-CD1 4.43Å; Y617-L670 HydrophobicContact CD1-CD2 4.47Å; Y617-L670 HydrophobicContact CD1-CG 4.47Å; Y617-L670 HydrophobicContact CD2-CB 4.14Å; Y617-L670 HydrophobicContact CD2-CD1 4.14Å; Y617-L670 HydrophobicContact CE1-CB 3.71Å; Y617-L670 WeakPolarHBondContact CE1-O 3.5Å; Y617-L670 HydrophobicContact CE2-CB 4.07Å; Y617-L670 HydrophobicContact CG-CB 4.01Å; Y617-L670 HydrophobicContact CG-CD1 3.94Å; Y617-L670 HydrophobicContact CG-CG 4.45Å; Y617-L670 PolarHBondContact OH-O 3.08Å; Y617-V671 WeakPolarHBondContact OH-CA 3.46Å; Y617-V671 PolarHBondContact OH-N 3.42Å; Y617-S674 PolarHBondContact OH-OG 2.96Å; Y617-I676 WeakPolarHBondContact OH-CG2 3.41Å
618Q98.2Very high98Very high98 Ų9839.7 Ų39.746%0.45821%0.205SC..Hα-helixtrans-60.8-40.8179.8-75.3176.6500112.2E614 V616 N622E614-Q618 WeakPolarHBondContact O-CB 3.4Å; E614-Q618 VanDerWaalsContact O-CG 3.25Å; E614-Q618 WeakPolarHBondContact O-CG 3.45Å; E614-Q618 PolarHBondContact O-N 2.75Å; E614-Q618 PolarHBondContact OE1-NE2 3.49Å; V616-Q618 PolarHBondContact O-N 3.07Å; Q618-N622 WeakPolarHBondContact O-CB 3.49Å; Q618-N622 PolarHBondContact O-N 2.97Å; Q618-N622 PolarHBondContact O-ND2 3.03Å; Q618-N622 VanDerWaalsContact O-ND2 3.12Å
619R98.1Very high97.9Very high33 Ų3341.4 Ų41.413%0.12522%0.218CC..Hα-helixtrans-65.2-43.9177-161-175.2-171.3166.7-1.5111.6W581 L584 K585 D586 P615 V616 Y617 V621 N622 L623W581-R619 HydrophobicContact CH2-CB 4.2Å; W581-R619 HydrophobicContact CH2-CG 4.39Å; W581-R619 HydrophobicContact CZ2-CB 3.54Å; W581-R619 HydrophobicContact CZ2-CG 3.93Å; W581-R619 PolarHBondContact O-NH1 2.88Å; L584-R619 PolarHBondContact O-NH2 3.31Å; K585-R619 VanDerWaalsContact C-NH2 3.3Å; K585-R619 PolarHBondContact O-NH2 2.83Å; D586-R619 IonicContact OD1-CZ 2.67Å; D586-R619 VanDerWaalsContact OD1-CZ 3.28Å; D586-R619 IonicContact OD1-NE 3.7Å; D586-R619 PolarHBondContact OD1-NE 3.31Å; D586-R619 IonicContact OD1-NH2 3.06Å; D586-R619 PolarHBondContact OD1-NH2 3.1Å; P615-R619 PolarHBondContact O-N 3.18Å; P615-R619 VanDerWaalsContact O-N 3.17Å; V616-R619 PolarHBondContact O-N 2.92Å; Y617-R619 VanDerWaalsContact C-N 3.32Å; Y617-R619 PolarHBondContact O-N 3.29Å; R619-V621 PolarHBondContact O-N 3.45Å; R619-N622 WeakPolarHBondContact O-CB 3.31Å; R619-N622 PolarHBondContact O-N 3.5Å; R619-N622 VanDerWaalsContact O-N 3.11Å; R619-L623 WeakPolarHBondContact O-CG 3.44Å; R619-L623 PolarHBondContact O-N 2.94Å
620C98.6Very high97.8Very high0 Ų045.2 Ų45.20%024%0.236CC..Hα-helixtrans-61.1-46.2178.7-620000111.6V616 Y617 N622 L623 V624 A652 L656V616-C620 PolarHBondContact O-N 3.2Å; V616-C620 VanDerWaalsContact O-N 3.09Å; V616-C620 PolarHBondContact O-SG 3.14Å; Y617-C620 PolarHBondContact O-N 2.92Å; C620-N622 VanDerWaalsContact C-N 3.27Å; C620-N622 PolarHBondContact O-N 3.24Å; C620-L623 PolarHBondContact O-N 3.36Å; C620-V624 WeakPolarHBondContact O-CG2 3.25Å; C620-V624 PolarHBondContact O-N 2.81Å; C620-A652 HydrophobicContact CB-CB 4Å; C620-L656 HydrophobicContact CB-CD1 3.97Å; C620-L656 HydrophobicContact CB-CD2 3.87Å; C620-L656 HydrophobicContact CB-CG 3.67Å
621V98.6Very high97.7Very high8 Ų842.1 Ų42.15%0.04822%0.221CC..Hα-helixtrans-58.1-40.8174.2174.60000111.3Y617 R619 V624 Q625 L656 I676 L679Y617-V621 HydrophobicContact CD1-CG2 3.98Å; Y617-V621 HydrophobicContact CE1-CG2 3.64Å; Y617-V621 WeakPolarHBondContact O-CG2 3.45Å; Y617-V621 PolarHBondContact O-N 3.08Å; R619-V621 PolarHBondContact O-N 3.45Å; V621-V624 PolarHBondContact O-N 3.24Å; V621-Q625 WeakPolarHBondContact O-CB 3.35Å; V621-Q625 PolarHBondContact O-N 3.42Å; V621-L656 HydrophobicContact CG2-CD1 4.4Å; V621-L656 HydrophobicContact CG2-CD2 4.28Å; V621-I676 HydrophobicContact CG2-CB 4.39Å; V621-I676 HydrophobicContact CG2-CD1 4.33Å; V621-L679 HydrophobicContact CG1-CD1 3.96Å
622N98.3Very high97.6Very high77 Ų7742.5 Ų42.541%0.41222%0.215SC..Hα-helixtrans-66.4-39.9177.3-72.7-30.2000112.8Q618 R619 C620 Q625 K626Q618-N622 WeakPolarHBondContact O-CB 3.49Å; Q618-N622 PolarHBondContact O-N 2.97Å; Q618-N622 PolarHBondContact O-ND2 3.03Å; Q618-N622 VanDerWaalsContact O-ND2 3.12Å; R619-N622 WeakPolarHBondContact O-CB 3.31Å; R619-N622 PolarHBondContact O-N 3.5Å; R619-N622 VanDerWaalsContact O-N 3.11Å; C620-N622 VanDerWaalsContact C-N 3.27Å; C620-N622 PolarHBondContact O-N 3.24Å; N622-Q625 PolarHBondContact O-N 3.41Å; N622-K626 WeakPolarHBondContact O-CB 3.49Å; N622-K626 VanDerWaalsContact O-CG 3.3Å; N622-K626 WeakPolarHBondContact O-CG 3.27Å; N622-K626 PolarHBondContact O-N 3.43Å
623L98.2Very high97.4Very high4 Ų443.8 Ų43.82%0.02123%0.226CC..Hα-helixtrans-61.2-48.1175.6-71171.8000110.7D586 L591 L595 R619 C620 Q625 K626 T627 F648 A652D586-L623 HydrophobicContact CB-CD2 3.79Å; L591-L623 HydrophobicContact CD2-CD1 3.93Å; L595-L623 HydrophobicContact CD1-CD1 4.2Å; R619-L623 WeakPolarHBondContact O-CG 3.44Å; R619-L623 PolarHBondContact O-N 2.94Å; C620-L623 PolarHBondContact O-N 3.36Å; L623-Q625 PolarHBondContact O-N 3.16Å; L623-K626 PolarHBondContact O-N 3.1Å; L623-T627 WeakPolarHBondContact O-CB 3.46Å; L623-T627 PolarHBondContact O-N 3.46Å; L623-T627 PolarHBondContact O-OG1 2.85Å; L623-F648 HydrophobicContact CD2-CD1 4.32Å; L623-A652 HydrophobicContact CB-CB 3.95Å; L623-A652 HydrophobicContact CD1-CB 4.14Å
624V98.5Very high97.3Very high0 Ų044.6 Ų44.60%023%0.229CC..Hα-helixtrans-59.1-48.1175.9177.20000110.8C620 V621 K626 T627 L628 M649 A652 L653 L679C620-V624 WeakPolarHBondContact O-CG2 3.25Å; C620-V624 PolarHBondContact O-N 2.81Å; V621-V624 PolarHBondContact O-N 3.24Å; V624-K626 PolarHBondContact O-N 3.42Å; V624-T627 PolarHBondContact O-N 2.89Å; V624-L628 HydrophobicContact CG1-CD1 3.92Å; V624-L628 HydrophobicContact CG1-CG 4.49Å; V624-L628 WeakPolarHBondContact O-CB 3.46Å; V624-L628 WeakPolarHBondContact O-CG 3.26Å; V624-L628 PolarHBondContact O-N 3.02Å; V624-M649 HydrophobicContact CG2-CB 4.35Å; V624-A652 HydrophobicContact CG2-CB 3.94Å; V624-L653 HydrophobicContact CG2-CD2 4.11Å; V624-L653 HydrophobicContact CG2-CG 3.99Å; V624-L679 HydrophobicContact CG1-CB 3.99Å; V624-L679 HydrophobicContact CG1-CD1 4.29Å
625Q98.4Very high97.1Very high81 Ų8145.8 Ų45.838%0.37924%0.238SC..Hα-helixtrans-63.3-44.4-179-172.1176-76.200112.9V621 N622 L623 A629 N675 L679V621-Q625 WeakPolarHBondContact O-CB 3.35Å; V621-Q625 PolarHBondContact O-N 3.42Å; N622-Q625 PolarHBondContact O-N 3.41Å; L623-Q625 PolarHBondContact O-N 3.16Å; Q625-A629 VanDerWaalsContact O-CB 3.32Å; Q625-A629 WeakPolarHBondContact O-CB 3.38Å; Q625-A629 PolarHBondContact O-N 2.88Å; Q625-N675 PolarHBondContact OE1-ND2 3.33Å; Q625-L679 HydrophobicContact CB-CD1 3.9Å; Q625-L679 HydrophobicContact CB-CD2 4.22Å; Q625-L679 HydrophobicContact CG-CD2 4.16Å
626K97.5Very high96.9Very high102 Ų10246.1 Ų46.144%0.44325%0.247SC..Hα-helixtrans-61.9-46.3178.2-78.8177.2175.8-179.60110.9D586 N622 L623 V624 A629 Q630D586-K626 IonicContact OD2-NZ 3.8Å; D586-K626 PolarHBondContact OD2-NZ 3.44Å; N622-K626 WeakPolarHBondContact O-CB 3.49Å; N622-K626 VanDerWaalsContact O-CG 3.3Å; N622-K626 WeakPolarHBondContact O-CG 3.27Å; N622-K626 PolarHBondContact O-N 3.43Å; L623-K626 PolarHBondContact O-N 3.1Å; V624-K626 PolarHBondContact O-N 3.42Å; K626-A629 PolarHBondContact O-N 3.37Å; K626-Q630 PolarHBondContact O-N 3.26Å
627T97.6Very high96.6Very high9 Ų950.2 Ų50.26%0.05527%0.266CS..Hα-helixtrans-64.6-44.8-177.9-480000111.1L623 V624 A629 Q630 A631 P644 K646 M649L623-T627 WeakPolarHBondContact O-CB 3.46Å; L623-T627 PolarHBondContact O-N 3.46Å; L623-T627 PolarHBondContact O-OG1 2.85Å; V624-T627 PolarHBondContact O-N 2.89Å; T627-A629 PolarHBondContact O-N 2.9Å; T627-Q630 PolarHBondContact O-N 2.9Å; T627-A631 WeakPolarHBondContact O-CB 3.31Å; T627-A631 PolarHBondContact O-N 2.89Å; T627-P644 HydrophobicContact CG2-CB 3.78Å; T627-P644 HydrophobicContact CG2-CG 4.14Å; T627-K646 HydrophobicContact CG2-CG 4.47Å; T627-M649 HydrophobicContact CG2-CB 4.08Å; T627-M649 HydrophobicContact CG2-CE 3.36Å
628L97.9Very high96.1Very high10 Ų1054.2 Ų54.25%0.05229%0.293CS..Hα-helixtrans-61.8-43.6173.9-73.8172.5000112.3V624 Q630 A631 M632 M649 L679 Q682V624-L628 HydrophobicContact CG1-CD1 3.92Å; V624-L628 HydrophobicContact CG1-CG 4.49Å; V624-L628 WeakPolarHBondContact O-CB 3.46Å; V624-L628 WeakPolarHBondContact O-CG 3.26Å; V624-L628 PolarHBondContact O-N 3.02Å; L628-Q630 PolarHBondContact O-N 3.09Å; L628-A631 PolarHBondContact O-N 3.02Å; L628-M632 WeakPolarHBondContact O-CG 3.35Å; L628-M632 PolarHBondContact O-N 3.07Å; L628-M649 HydrophobicContact CD2-SD 4.37Å; L628-L679 HydrophobicContact CD1-CB 4.05Å; L628-L679 HydrophobicContact CD1-CD2 3.97Å; L628-Q682 HydrophobicContact CD1-CB 4.05Å; L628-Q682 HydrophobicContact CD2-CB 4.12Å
629A96.6Very high95.8Very high47 Ų4759 Ų5939%0.38832%0.315SS..Hα-helixtrans-62.8-42.6178.400000112Q625 K626 T627 M632 L633Q625-A629 VanDerWaalsContact O-CB 3.32Å; Q625-A629 WeakPolarHBondContact O-CB 3.38Å; Q625-A629 PolarHBondContact O-N 2.88Å; K626-A629 PolarHBondContact O-N 3.37Å; T627-A629 PolarHBondContact O-N 2.9Å; A629-M632 PolarHBondContact O-N 3.12Å; A629-L633 WeakPolarHBondContact O-CG 3.45Å; A629-L633 PolarHBondContact O-N 3.03Å; A629-L633 VanDerWaalsContact O-N 3.07Å
630Q96.1Very high95.2Very high80 Ų8064.1 Ų64.137%0.37434%0.341SS..Hα-helixtrans-65.6-40.5175.4-176175.8-6.500111.6K626 T627 L628 M632 L633 N634 E642 P644K626-Q630 PolarHBondContact O-N 3.26Å; T627-Q630 PolarHBondContact O-N 2.9Å; L628-Q630 PolarHBondContact O-N 3.09Å; Q630-M632 VanDerWaalsContact C-N 3.3Å; Q630-M632 PolarHBondContact O-N 3.01Å; Q630-L633 PolarHBondContact O-N 3.18Å; Q630-N634 WeakPolarHBondContact O-CB 3.3Å; Q630-N634 PolarHBondContact O-N 2.93Å; Q630-E642 PolarHBondContact NE2-O 3.35Å; Q630-P644 HydrophobicContact CB-CB 3.99Å; Q630-P644 HydrophobicContact CB-CG 4.29Å; Q630-P644 HydrophobicContact CG-CB 3.85Å; Q630-P644 HydrophobicContact CG-CG 4.26Å
631A95.6Very high94.7Very high8 Ų868.6 Ų68.67%0.06636%0.358CS..Hα-helixtrans-60.1-40.6174.900000111.6T627 L628 N635 P644T627-A631 WeakPolarHBondContact O-CB 3.31Å; T627-A631 PolarHBondContact O-N 2.89Å; L628-A631 PolarHBondContact O-N 3.02Å; A631-N635 VanDerWaalsContact O-CB 3.29Å; A631-N635 WeakPolarHBondContact O-CB 3.5Å; A631-N635 PolarHBondContact O-N 2.77Å; A631-N635 PolarHBondContact O-ND2 3.16Å; A631-P644 HydrophobicContact CB-CG 3.76Å
632M94.8Very high94.3Very high106 Ų10676.2 Ų76.252%0.52239%0.393SS..Hα-helixtrans-64-43.5175.5-71.5-177.7-177.900112.3L628 A629 Q630 N635 A636L628-M632 WeakPolarHBondContact O-CG 3.35Å; L628-M632 PolarHBondContact O-N 3.07Å; A629-M632 PolarHBondContact O-N 3.12Å; Q630-M632 VanDerWaalsContact C-N 3.3Å; Q630-M632 PolarHBondContact O-N 3.01Å; M632-N635 PolarHBondContact O-N 2.84Å; M632-A636 WeakPolarHBondContact O-CB 3.22Å; M632-A636 PolarHBondContact O-N 3.28Å
633L95Very high93.9Very high78 Ų7875.7 Ų75.741%0.40840%0.399SS..Hα-helixtrans-65.1-44.9177.9-70173.4000111.8A629 Q630 A636 Q637 Y641A629-L633 WeakPolarHBondContact O-CG 3.45Å; A629-L633 PolarHBondContact O-N 3.03Å; A629-L633 VanDerWaalsContact O-N 3.07Å; Q630-L633 PolarHBondContact O-N 3.18Å; L633-A636 PolarHBondContact O-N 3.37Å; L633-Q637 PolarHBondContact O-N 2.88Å; L633-Y641 HydrophobicContact CB-CD1 4.04Å; L633-Y641 HydrophobicContact CB-CD2 3.97Å; L633-Y641 HydrophobicContact CB-CE1 4.35Å; L633-Y641 HydrophobicContact CB-CE2 4.28Å; L633-Y641 HydrophobicContact CB-CG 3.84Å; L633-Y641 HydrophobicContact CD1-CD1 4.22Å; L633-Y641 HydrophobicContact CD1-CE1 3.91Å; L633-Y641 HydrophobicContact CD2-CE2 4.46Å
634N94.3Very high93.6Very high30 Ų3076.1 Ų76.116%0.1640%0.403CS..Hα-helixtrans-60.9-44.9173.9170.1-101000111.9Q630 A636 Q637 P638 Y641 A643Q630-N634 WeakPolarHBondContact O-CB 3.3Å; Q630-N634 PolarHBondContact O-N 2.93Å; N634-A636 VanDerWaalsContact C-N 3.28Å; N634-A636 PolarHBondContact O-N 3.09Å; N634-Q637 CarbonylContact O-C 3.42Å; N634-Q637 PolarHBondContact O-N 3.4Å; N634-P638 WeakPolarHBondContact O-CA 3.41Å; N634-P638 WeakPolarHBondContact O-CB 3.27Å; N634-P638 VanDerWaalsContact O-CD 3.27Å; N634-P638 WeakPolarHBondContact O-CD 3.34Å; N634-Y641 PolarHBondContact ND2-O 3.41Å; N634-A643 PolarHBondContact ND2-N 2.99Å
635N92.6Very high93.3Very high116 Ų11678.7 Ų78.762%0.6242%0.416SS*.Hα-helixtrans-62.9-34176.9-77.6-39.9000112.7A631 M632A631-N635 VanDerWaalsContact O-CB 3.29Å; A631-N635 WeakPolarHBondContact O-CB 3.5Å; A631-N635 PolarHBondContact O-N 2.77Å; A631-N635 PolarHBondContact O-ND2 3.16Å; M632-N635 PolarHBondContact O-N 2.84Å
636A94.2Very high93.2Very high76 Ų7677 Ų7763%0.62841%0.408SS*.Hα-helixtrans-78.8-35.317800000112.8M632 L633 N634M632-A636 WeakPolarHBondContact O-CB 3.22Å; M632-A636 PolarHBondContact O-N 3.28Å; L633-A636 PolarHBondContact O-N 3.37Å; N634-A636 VanDerWaalsContact C-N 3.28Å; N634-A636 PolarHBondContact O-N 3.09Å
637Q91.6Very high93Very high85 Ų8573 Ų7340%0.39739%0.391SS..  trans-14470-172.2-66.5-178.1-29.300111.2L633 N634 E639 Q640 Y641L633-Q637 PolarHBondContact O-N 2.88Å; N634-Q637 CarbonylContact O-C 3.42Å; N634-Q637 PolarHBondContact O-N 3.4Å; Q637-E639 PolarHBondContact O-N 3.22Å; Q637-E639 VanDerWaalsContact O-N 3.17Å; Q637-Q640 HydrophobicContact CB-CB 4.32Å; Q637-Q640 PolarHBondContact O-N 3.18Å; Q637-Y641 HydrophobicContact CB-CD2 3.98Å; Q637-Y641 HydrophobicContact CB-CE2 4.35Å; Q637-Y641 PolarHBondContact O-N 3.02Å; Q637-Y641 VanDerWaalsContact O-N 3.13Å
638P88.3Confident92.9Very high91 Ų9173.6 Ų73.659%0.59139%0.393SS*.THydrogen-bonded Turntrans-67-20.1-172.425.5-34.7000113.7N634N634-P638 WeakPolarHBondContact O-CA 3.41Å; N634-P638 WeakPolarHBondContact O-CB 3.27Å; N634-P638 VanDerWaalsContact O-CD 3.27Å; N634-P638 WeakPolarHBondContact O-CD 3.34Å
639E90.5Very high92.8Very high197 Ų19773.1 Ų73.192%0.92139%0.39SS*.THydrogen-bonded Turntrans-77.7-19.2175.4-62.4-178.9175.300113.3Q637Q637-E639 PolarHBondContact O-N 3.22Å; Q637-E639 VanDerWaalsContact O-N 3.17Å
640Q87.1Confident92.8Very high142 Ų14270.9 Ų70.966%0.66437%0.372SS*.THydrogen-bonded Turntrans-108-28.3-175.9-66.1-175.716.400113.4Q637Q637-Q640 HydrophobicContact CB-CB 4.32Å; Q637-Q640 PolarHBondContact O-N 3.18Å
641Y87.3Confident92.8Very high93 Ų9367.1 Ų67.137%0.36535%0.354SS..SBendtrans-122131.9-176.4-66.5-84.4000110.2L633 N634 Q637L633-Y641 HydrophobicContact CB-CD1 4.04Å; L633-Y641 HydrophobicContact CB-CD2 3.97Å; L633-Y641 HydrophobicContact CB-CE1 4.35Å; L633-Y641 HydrophobicContact CB-CE2 4.28Å; L633-Y641 HydrophobicContact CB-CG 3.84Å; L633-Y641 HydrophobicContact CD1-CD1 4.22Å; L633-Y641 HydrophobicContact CD1-CE1 3.91Å; L633-Y641 HydrophobicContact CD2-CE2 4.46Å; N634-Y641 PolarHBondContact ND2-O 3.41Å; Q637-Y641 HydrophobicContact CB-CD2 3.98Å; Q637-Y641 HydrophobicContact CB-CE2 4.35Å; Q637-Y641 PolarHBondContact O-N 3.02Å; Q637-Y641 VanDerWaalsContact O-N 3.13Å
642E89.3Confident92.9Very high168 Ų16866.7 Ų66.779%0.78535%0.351SS*.PPolyproline II helixtrans-73.1145.9172.6-66.5177.6177.200110.7Q630Q630-E642 PolarHBondContact NE2-O 3.35Å
643A89.8Confident93.1Very high66 Ų6661.7 Ų61.755%0.54533%0.326SS..PPolyproline II helixtrans-59.8135.4172.700000109.1N634N634-A643 PolarHBondContact ND2-N 2.99Å
644P93.5Very high93.2Very high14 Ų1458.5 Ų58.59%0.09131%0.31CS..PPolyproline II helixtrans-69.2149.3177.429-33.3000111T627 Q630 A631 K646T627-P644 HydrophobicContact CG2-CB 3.78Å; T627-P644 HydrophobicContact CG2-CG 4.14Å; Q630-P644 HydrophobicContact CB-CB 3.99Å; Q630-P644 HydrophobicContact CB-CG 4.29Å; Q630-P644 HydrophobicContact CG-CB 3.85Å; Q630-P644 HydrophobicContact CG-CG 4.26Å; A631-P644 HydrophobicContact CB-CG 3.76Å; P644-K646 PolarHBondContact O-N 3.16Å
645D92.5Very high93.4Very high54 Ų5457.1 Ų57.129%0.28930%0.302SS..  trans-69.7110.7161.9-169.7-18.5000108.2K589 D647 F648K589-D645 WeakPolarHBondContact CE-OD2 3.43Å; K589-D645 IonicContact NZ-OD2 2.62Å; K589-D645 PolarHBondContact NZ-OD2 2.93Å; D645-D647 VanDerWaalsContact C-N 3.28Å; D645-D647 WeakPolarHBondContact OD1-CB 3.4Å; D645-D647 PolarHBondContact OD1-N 3.21Å; D645-D647 VanDerWaalsContact OD1-N 3.15Å; D645-F648 HydrophobicContact CB-CD2 4.02Å; D645-F648 HydrophobicContact CB-CE2 4.18Å
646K94.9Very high93.7Very high46 Ų4651.6 Ų51.620%0.227%0.273CS..SBendtrans-78.2-15.6-174.1-67.2-164.4-176.9-171.80112.7T627 P644 F648 M649 I650 D686 M688 V691T627-K646 HydrophobicContact CG2-CG 4.47Å; P644-K646 PolarHBondContact O-N 3.16Å; K646-F648 PolarHBondContact O-N 2.83Å; K646-M649 HydrophobicContact CB-CE 3.93Å; K646-M649 HydrophobicContact CD-CE 3.83Å; K646-M649 HydrophobicContact CG-CE 3.7Å; K646-M649 WeakPolarHBondContact O-CG 3.29Å; K646-M649 PolarHBondContact O-N 3.4Å; K646-I650 WeakPolarHBondContact O-CG1 3.43Å; K646-I650 PolarHBondContact O-N 2.9Å; K646-D686 IonicContact NZ-OD1 2.78Å; K646-D686 PolarHBondContact NZ-OD1 3.45Å; K646-D686 IonicContact NZ-OD2 3.64Å; K646-D686 PolarHBondContact NZ-OD2 3.1Å; K646-M688 HydrophobicContact CB-SD 3.84Å; K646-M688 HydrophobicContact CD-CB 4.34Å; K646-M688 HydrophobicContact CD-SD 3.94Å; K646-M688 HydrophobicContact CG-SD 4.41Å; K646-V691 HydrophobicContact CB-CG2 4.22Å; K646-V691 HydrophobicContact CD-CG2 4.06Å
647D93.9Very high93.8Very high18 Ų1848.4 Ų48.410%0.09625%0.246CC..Hα-helixtrans-55-41.8179.5-70.4-1.1000110.7H348 F592 D645 M649 I650 V651H348-D647 HydrophobicContact CB-CB 3.79Å; H348-D647 PolarHBondContact N-OD2 3.18Å; H348-D647 VanDerWaalsContact N-OD2 3.13Å; F592-D647 HydrophobicContact CE1-CB 4.08Å; F592-D647 HydrophobicContact CE2-CB 3.87Å; F592-D647 HydrophobicContact CZ-CB 3.58Å; D645-D647 VanDerWaalsContact C-N 3.28Å; D645-D647 WeakPolarHBondContact OD1-CB 3.4Å; D645-D647 PolarHBondContact OD1-N 3.21Å; D645-D647 VanDerWaalsContact OD1-N 3.15Å; D647-M649 PolarHBondContact O-N 3.02Å; D647-M649 VanDerWaalsContact O-N 3.14Å; D647-I650 WeakPolarHBondContact O-CA 3.47Å; D647-I650 PolarHBondContact O-N 3.22Å; D647-V651 WeakPolarHBondContact O-CG2 3.45Å; D647-V651 PolarHBondContact O-N 2.81Å
648F95.5Very high94.1Very high20 Ų2044.4 Ų44.49%0.08823%0.228CC..Hα-helixtrans-53.3-36.2175-74.6-78.1000114.2D586 D588 K589 F592 L623 D645 K646 A652D586-F648 WeakPolarHBondContact O-CD1 3.42Å; D586-F648 WeakPolarHBondContact O-CE1 3.43Å; D588-F648 WeakPolarHBondContact O-CE1 3.4Å; K589-F648 HydrophobicContact CG-CZ 4.36Å; F592-F648 HydrophobicContact CD1-CD1 4.35Å; F592-F648 HydrophobicContact CD1-CE1 4.32Å; F592-F648 HydrophobicContact CE1-CB 4.44Å; F592-F648 AromaticContact CE1-CD1 3.54Å; F592-F648 HydrophobicContact CE1-CD1 3.54Å; F592-F648 AromaticContact CE1-CD2 3.87Å; F592-F648 HydrophobicContact CE1-CD2 3.87Å; F592-F648 AromaticContact CE1-CE1 3.53Å; F592-F648 HydrophobicContact CE1-CE1 3.53Å; F592-F648 AromaticContact CE1-CE2 3.87Å; F592-F648 HydrophobicContact CE1-CE2 3.87Å; F592-F648 AromaticContact CE1-CG 3.7Å; F592-F648 HydrophobicContact CE1-CG 3.7Å; F592-F648 AromaticContact CE1-CZ 3.7Å; F592-F648 HydrophobicContact CE1-CZ 3.7Å; F592-F648 HydrophobicContact CZ-CD1 4.42Å; F592-F648 AromaticContact CZ-CD2 4Å; F592-F648 HydrophobicContact CZ-CD2 4Å; F592-F648 HydrophobicContact CZ-CE1 4.22Å; F592-F648 AromaticContact CZ-CE2 3.79Å; F592-F648 HydrophobicContact CZ-CE2 3.79Å; F592-F648 HydrophobicContact CZ-CG 4.3Å; F592-F648 AromaticContact CZ-CZ 3.9Å; F592-F648 HydrophobicContact CZ-CZ 3.9Å; L623-F648 HydrophobicContact CD2-CD1 4.32Å; D645-F648 HydrophobicContact CB-CD2 4.02Å; D645-F648 HydrophobicContact CB-CE2 4.18Å; K646-F648 PolarHBondContact O-N 2.83Å; F648-A652 WeakPolarHBondContact O-CB 3.31Å; F648-A652 PolarHBondContact O-N 3.21Å
649M96.5Very high94.6Very high0 Ų040.1 Ų40.10%020%0.2CC..Hα-helixtrans-77.7-35176.399.5172.476.300111.4V624 T627 L628 K646 D647 A652 L653 V691V624-M649 HydrophobicContact CG2-CB 4.35Å; T627-M649 HydrophobicContact CG2-CB 4.08Å; T627-M649 HydrophobicContact CG2-CE 3.36Å; L628-M649 HydrophobicContact CD2-SD 4.37Å; K646-M649 HydrophobicContact CB-CE 3.93Å; K646-M649 HydrophobicContact CD-CE 3.83Å; K646-M649 HydrophobicContact CG-CE 3.7Å; K646-M649 WeakPolarHBondContact O-CG 3.29Å; K646-M649 PolarHBondContact O-N 3.4Å; D647-M649 PolarHBondContact O-N 3.02Å; D647-M649 VanDerWaalsContact O-N 3.14Å; M649-A652 PolarHBondContact O-N 3.14Å; M649-L653 HydrophobicContact CG-CD1 4.37Å; M649-L653 WeakPolarHBondContact O-CB 3.33Å; M649-L653 WeakPolarHBondContact O-CG 3.3Å; M649-L653 PolarHBondContact O-N 3.33Å; M649-V691 HydrophobicContact CE-CG2 4.25Å; M649-V691 HydrophobicContact CG-CG1 4.26Å; M649-V691 HydrophobicContact CG-CG2 4.13Å; M649-V691 HydrophobicContact SD-CB 4.36Å; M649-V691 HydrophobicContact SD-CG1 3.46Å; M649-V691 WeakPolarHBondContact SD-CG1 3.41Å; M649-V691 HydrophobicContact SD-CG2 3.9Å
650I96.3Very high95Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-66.6-55-177.5-57.1167.9000109.2H348 K646 D647 A652 L653 D654 M688 E690 V691 S694H348-I650 WeakPolarHBondContact CD2-CG2 3.41Å; H348-I650 WeakPolarHBondContact NE2-CG2 3.34Å; K646-I650 WeakPolarHBondContact O-CG1 3.43Å; K646-I650 PolarHBondContact O-N 2.9Å; D647-I650 WeakPolarHBondContact O-CA 3.47Å; D647-I650 PolarHBondContact O-N 3.22Å; I650-A652 PolarHBondContact O-N 3.1Å; I650-L653 WeakPolarHBondContact O-CB 3.36Å; I650-L653 PolarHBondContact O-N 3.4Å; I650-D654 PolarHBondContact O-N 3.19Å; I650-M688 HydrophobicContact CD1-CE 3.96Å; I650-M688 HydrophobicContact CD1-SD 4.23Å; I650-E690 HydrophobicContact CD1-CB 3.71Å; I650-V691 HydrophobicContact CD1-CG2 3.99Å; I650-V691 HydrophobicContact CG1-CG2 3.75Å; I650-S694 WeakPolarHBondContact CG2-OG 3.26Å
651V95.4Very high95.4Very high1 Ų128 Ų281%0.00614%0.144CC..Hα-helixtrans-59.9-31.7175.6-73.80000113.4H348 F592 L595 E596 D647 L655H348-V651 HydrophobicContact CB-CG1 3.95Å; H348-V651 VanDerWaalsContact CE1-CG1 3.44Å; H348-V651 WeakPolarHBondContact CE1-CG1 3.1Å; H348-V651 WeakPolarHBondContact ND1-CG1 3.38Å; F592-V651 HydrophobicContact CB-CG1 4.18Å; F592-V651 HydrophobicContact CD1-CG1 4.49Å; F592-V651 HydrophobicContact CD1-CG2 3.81Å; F592-V651 HydrophobicContact CE1-CG2 4.35Å; L595-V651 HydrophobicContact CB-CB 3.9Å; L595-V651 HydrophobicContact CB-CG2 4.31Å; L595-V651 HydrophobicContact CD1-CB 3.86Å; L595-V651 HydrophobicContact CD1-CG2 3.32Å; L595-V651 HydrophobicContact CG-CB 4.49Å; L595-V651 HydrophobicContact CG-CG2 4.42Å; E596-V651 HydrophobicContact CG-CG1 4.18Å; D647-V651 WeakPolarHBondContact O-CG2 3.45Å; D647-V651 PolarHBondContact O-N 2.81Å; V651-L655 PolarHBondContact O-N 2.8Å; V651-L655 VanDerWaalsContact O-N 3.07Å
652A98Very high95.9Very high0 Ų024.1 Ų24.10%013%0.131CC..Hα-helixtrans-72-37.817600000112.2C620 L623 V624 F648 M649 I650 L656C620-A652 HydrophobicContact CB-CB 4Å; L623-A652 HydrophobicContact CB-CB 3.95Å; L623-A652 HydrophobicContact CD1-CB 4.14Å; V624-A652 HydrophobicContact CG2-CB 3.94Å; F648-A652 WeakPolarHBondContact O-CB 3.31Å; F648-A652 PolarHBondContact O-N 3.21Å; M649-A652 PolarHBondContact O-N 3.14Å; I650-A652 PolarHBondContact O-N 3.1Å; A652-L656 WeakPolarHBondContact O-CD1 3.31Å; A652-L656 WeakPolarHBondContact O-CG 3.28Å; A652-L656 PolarHBondContact O-N 2.96Å
653L98.5Very high96.3Very high0 Ų016.4 Ų16.40%010%0.095CC..Hα-helixtrans-66.2-40.8173.6-73.6166.9000110.9V624 M649 I650 L656 S657 C683 L698V624-L653 HydrophobicContact CG2-CD2 4.11Å; V624-L653 HydrophobicContact CG2-CG 3.99Å; M649-L653 HydrophobicContact CG-CD1 4.37Å; M649-L653 WeakPolarHBondContact O-CB 3.33Å; M649-L653 WeakPolarHBondContact O-CG 3.3Å; M649-L653 PolarHBondContact O-N 3.33Å; I650-L653 WeakPolarHBondContact O-CB 3.36Å; I650-L653 PolarHBondContact O-N 3.4Å; L653-L656 WeakPolarHBondContact O-CB 3.38Å; L653-L656 PolarHBondContact O-N 2.94Å; L653-S657 PolarHBondContact O-N 3.44Å; L653-C683 HydrophobicContact CD1-CB 4.16Å; L653-L698 HydrophobicContact CD2-CD2 3.65Å
654D97.3Very high96.6Very high12 Ų1214.3 Ų14.36%0.0648%0.08CC..Hα-helixtrans-62.8-43.8177.2-71.8-6.9000111.7H348 I650 L656 S657 G658 S694H348-D654 IonicContact CE1-OD2 3.4Å; H348-D654 IonicContact NE2-OD2 2.67Å; I650-D654 PolarHBondContact O-N 3.19Å; D654-L656 VanDerWaalsContact C-N 3.35Å; D654-L656 PolarHBondContact O-N 3.02Å; D654-S657 WeakPolarHBondContact O-CA 3.47Å; D654-S657 WeakPolarHBondContact O-CB 3.42Å; D654-S657 PolarHBondContact O-N 3.11Å; D654-S657 VanDerWaalsContact O-N 3.07Å; D654-G658 PolarHBondContact O-N 3.48Å; D654-S694 WeakPolarHBondContact OD1-CB 3.5Å; D654-S694 PolarHBondContact OD1-OG 3.48Å
655L98Very high96.8Very high0 Ų015.8 Ų15.80%010%0.098CC..Hα-helixtrans-66.1-36.2174.1-179.251.8000112.7W581 L595 L598 S599 A602 V616 V651 S657 G658 L659W581-L655 HydrophobicContact CH2-CD2 4.33Å; W581-L655 HydrophobicContact CZ3-CD2 4.49Å; L595-L655 HydrophobicContact CD2-CB 4.26Å; L595-L655 HydrophobicContact CD2-CD2 3.39Å; L595-L655 HydrophobicContact CD2-CG 4.46Å; L598-L655 VanDerWaalsContact C-CD1 3.45Å; L598-L655 HydrophobicContact CB-CD1 3.88Å; L598-L655 HydrophobicContact CB-CD2 3.91Å; L598-L655 HydrophobicContact CD1-CD2 4.4Å; L598-L655 WeakPolarHBondContact O-CD1 3.41Å; S599-L655 WeakPolarHBondContact OG-CA 3.41Å; S599-L655 WeakPolarHBondContact OG-CB 3.49Å; S599-L655 PolarHBondContact OG-N 2.97Å; A602-L655 HydrophobicContact CB-CD1 4.37Å; V616-L655 HydrophobicContact CG1-CD1 4.43Å; V616-L655 HydrophobicContact CG1-CD2 3.48Å; V616-L655 VanDerWaalsContact CG1-CD2 3.48Å; V616-L655 HydrophobicContact CG1-CG 4.06Å; V651-L655 PolarHBondContact O-N 2.8Å; V651-L655 VanDerWaalsContact O-N 3.07Å; L655-S657 PolarHBondContact O-N 3.02Å; L655-G658 PolarHBondContact O-N 3.24Å; L655-L659 HydrophobicContact CD1-CG 4.25Å; L655-L659 HydrophobicContact CG-CD1 4.4Å; L655-L659 WeakPolarHBondContact O-CB 3.39Å; L655-L659 VanDerWaalsContact O-CG 3.25Å; L655-L659 WeakPolarHBondContact O-CG 3.07Å; L655-L659 PolarHBondContact O-N 3.4Å
656L98.6Very high97Very high0 Ų017.7 Ų17.70%011%0.108CC..Hα-helixtrans-63.1-35.5171.9-70.7167.4000111.3Y617 C620 V621 A652 L653 D654 L659 A660 I676 L698Y617-L656 HydrophobicContact CD2-CD2 3.29Å; Y617-L656 HydrophobicContact CE2-CD2 3.45Å; Y617-L656 VanDerWaalsContact CE2-CD2 3.45Å; Y617-L656 HydrophobicContact CG-CD2 3.94Å; C620-L656 HydrophobicContact CB-CD1 3.97Å; C620-L656 HydrophobicContact CB-CD2 3.87Å; C620-L656 HydrophobicContact CB-CG 3.67Å; V621-L656 HydrophobicContact CG2-CD1 4.4Å; V621-L656 HydrophobicContact CG2-CD2 4.28Å; A652-L656 WeakPolarHBondContact O-CD1 3.31Å; A652-L656 WeakPolarHBondContact O-CG 3.28Å; A652-L656 PolarHBondContact O-N 2.96Å; L653-L656 WeakPolarHBondContact O-CB 3.38Å; L653-L656 PolarHBondContact O-N 2.94Å; D654-L656 VanDerWaalsContact C-N 3.35Å; D654-L656 PolarHBondContact O-N 3.02Å; L656-L659 HydrophobicContact CD2-CD1 4.49Å; L656-A660 WeakPolarHBondContact O-CB 3.37Å; L656-A660 PolarHBondContact O-N 3.15Å; L656-I676 HydrophobicContact CD1-CD1 3.67Å; L656-I676 HydrophobicContact CD1-CG1 4.25Å; L656-L698 VanDerWaalsContact C-CD1 3.49Å; L656-L698 HydrophobicContact CB-CD1 3.7Å; L656-L698 HydrophobicContact CB-CD2 3.95Å; L656-L698 HydrophobicContact CB-CG 4.47Å; L656-L698 HydrophobicContact CD1-CD2 4.24Å
657S98.2Very high97.2Very high9 Ų915.5 Ų15.56%0.06310%0.099CC..Hα-helixtrans-63.1-53.2173.8-137.80000110.4L653 D654 L655 L659 A660 E661 A697 L698 D701L653-S657 PolarHBondContact O-N 3.44Å; D654-S657 WeakPolarHBondContact O-CA 3.47Å; D654-S657 WeakPolarHBondContact O-CB 3.42Å; D654-S657 PolarHBondContact O-N 3.11Å; D654-S657 VanDerWaalsContact O-N 3.07Å; L655-S657 PolarHBondContact O-N 3.02Å; S657-L659 VanDerWaalsContact C-N 3.28Å; S657-L659 PolarHBondContact O-N 2.6Å; S657-A660 WeakPolarHBondContact O-CA 3.36Å; S657-A660 WeakPolarHBondContact O-CB 3.47Å; S657-A660 PolarHBondContact O-N 3.08Å; S657-E661 PolarHBondContact O-N 2.65Å; S657-A697 PolarHBondContact OG-O 2.92Å; S657-L698 WeakPolarHBondContact OG-CA 2.93Å; S657-L698 PolarHBondContact OG-N 2.74Å; S657-D701 WeakPolarHBondContact CB-OD2 3.36Å; S657-D701 PolarHBondContact OG-OD2 2.72Å
658G97.4Very high97.4Very high2 Ų218 Ų182%0.02111%0.11CC..Hα-helixtrans-60.8-34177.900000113.4T603 D654 L655 G662T603-G658 WeakPolarHBondContact OG1-CA 3.36Å; T603-G658 PolarHBondContact OG1-O 3.25Å; D654-G658 PolarHBondContact O-N 3.48Å; L655-G658 PolarHBondContact O-N 3.24Å; G658-G662 PolarHBondContact O-N 3.17Å
659L98.4Very high97.5Very high0 Ų021.8 Ų21.80%013%0.128CC..Hα-helixtrans-66.2-42170.5-74170.8000112.1A602 F609 C613 V616 Y617 L655 L656 S657 L663 I667A602-L659 HydrophobicContact CB-CD2 3.89Å; A602-L659 HydrophobicContact CB-CG 4.32Å; F609-L659 HydrophobicContact CD1-CD2 3.6Å; F609-L659 HydrophobicContact CE1-CD2 3.55Å; F609-L659 HydrophobicContact CZ-CD2 4.42Å; C613-L659 HydrophobicContact CB-CD2 4.4Å; V616-L659 HydrophobicContact CG1-CD1 4.14Å; Y617-L659 HydrophobicContact CD2-CD1 4.22Å; L655-L659 HydrophobicContact CD1-CG 4.25Å; L655-L659 HydrophobicContact CG-CD1 4.4Å; L655-L659 WeakPolarHBondContact O-CB 3.39Å; L655-L659 VanDerWaalsContact O-CG 3.25Å; L655-L659 WeakPolarHBondContact O-CG 3.07Å; L655-L659 PolarHBondContact O-N 3.4Å; L656-L659 HydrophobicContact CD2-CD1 4.49Å; S657-L659 VanDerWaalsContact C-N 3.28Å; S657-L659 PolarHBondContact O-N 2.6Å; L659-L663 HydrophobicContact CB-CD1 4.37Å; L659-L663 HydrophobicContact CD2-CD1 4.07Å; L659-L663 WeakPolarHBondContact O-CB 3.31Å; L659-L663 VanDerWaalsContact O-CG 3.25Å; L659-L663 WeakPolarHBondContact O-CG 3.49Å; L659-L663 PolarHBondContact O-N 3.01Å; L659-I667 HydrophobicContact CB-CD1 3.98Å
660A98.4Very high97.5Very high1 Ų122.7 Ų22.71%0.00813%0.132CC..Hα-helixtrans-66.9-43179.400000111.3L656 S657 G664 I667 D701 L702L656-A660 WeakPolarHBondContact O-CB 3.37Å; L656-A660 PolarHBondContact O-N 3.15Å; S657-A660 WeakPolarHBondContact O-CA 3.36Å; S657-A660 WeakPolarHBondContact O-CB 3.47Å; S657-A660 PolarHBondContact O-N 3.08Å; A660-G664 WeakPolarHBondContact O-CA 3.41Å; A660-G664 PolarHBondContact O-N 3.25Å; A660-G664 VanDerWaalsContact O-N 3.13Å; A660-I667 HydrophobicContact CB-CD1 3.9Å; A660-D701 HydrophobicContact CB-CB 3.7Å; A660-L702 HydrophobicContact CB-CD2 3.87Å; A660-L702 HydrophobicContact CB-CG 4.36Å
661E96.9Very high97.6Very high85 Ų8523 Ų2340%0.39713%0.134SC..Hα-helixtrans-62.6-54.4175.1-171.5179.1-178.800111.4R351 T603 S657R351-E661 IonicContact NH2-OE2 2.68Å; T603-E661 HydrophobicContact CG2-CB 4.5Å; T603-E661 HydrophobicContact CG2-CG 4.02Å; S657-E661 PolarHBondContact O-N 2.65Å
662G97.2Very high97.7Very high10 Ų1025.4 Ų25.410%0.10316%0.155CC..Hα-helixtrans-68.1-45.8-176.100000113.9Q606 G658Q606-G662 CarbonylContact C-O 3.5Å; Q606-G662 WeakPolarHBondContact CA-O 3.39Å; Q606-G662 WeakPolarHBondContact CB-O 3.33Å; G658-G662 PolarHBondContact O-N 3.17Å
663L98.1Very high97.7Very high6 Ų633.9 Ų33.93%0.03119%0.187CC..Hα-helixtrans-78.8-22.4-176.1-62.4174.3000113Q606 F609 L610 C613 L659 G665 N666 I667Q606-L663 WeakPolarHBondContact O-CD2 3.36Å; F609-L663 HydrophobicContact CB-CD2 4.26Å; L610-L663 HydrophobicContact CD2-CD2 3.85Å; L610-L663 HydrophobicContact CG-CD2 4.11Å; C613-L663 HydrophobicContact CB-CD1 3.7Å; L659-L663 HydrophobicContact CB-CD1 4.37Å; L659-L663 HydrophobicContact CD2-CD1 4.07Å; L659-L663 WeakPolarHBondContact O-CB 3.31Å; L659-L663 VanDerWaalsContact O-CG 3.25Å; L659-L663 WeakPolarHBondContact O-CG 3.49Å; L659-L663 PolarHBondContact O-N 3.01Å; L663-G665 PolarHBondContact O-N 2.89Å; L663-N666 HydrophobicContact CB-CB 4.33Å; L663-N666 WeakPolarHBondContact O-CB 3.32Å; L663-N666 PolarHBondContact O-N 2.74Å; L663-N666 VanDerWaalsContact O-N 3.15Å; L663-N666 PolarHBondContact O-ND2 3.36Å; L663-I667 HydrophobicContact CB-CB 4.25Å; L663-I667 HydrophobicContact CD1-CB 4.4Å; L663-I667 HydrophobicContact CD1-CG1 4.37Å
664G96.3Very high97.6Very high22 Ų2235.6 Ų35.623%0.22720%0.199CC..G310 helixtrans49.6-133.8-170.700000111.3A660 N666 I667A660-G664 WeakPolarHBondContact O-CA 3.41Å; A660-G664 PolarHBondContact O-N 3.25Å; A660-G664 VanDerWaalsContact O-N 3.13Å; G664-N666 PolarHBondContact O-N 3.46Å; G664-I667 VanDerWaalsContact O-CG2 3.27Å; G664-I667 WeakPolarHBondContact O-CG2 3.39Å; G664-I667 PolarHBondContact O-N 3.48Å
665G96.8Very high97.6Very high45 Ų4538 Ų3846%0.46421%0.212SC..G310 helixtrans-56.5-17-178.800000115.8L663 I667 E668 A705L663-G665 PolarHBondContact O-N 2.89Å; G665-I667 PolarHBondContact O-N 3.21Å; G665-E668 WeakPolarHBondContact O-CB 3.42Å; G665-E668 PolarHBondContact O-N 3.31Å; G665-A705 WeakPolarHBondContact CA-O 3.06Å
666N97.7Very high97.6Very high95 Ų9538.1 Ų38.151%0.50821%0.212SC..G310 helixtrans-69.8-17.5176.5-59.7-72.1000113.5L610 L663 G664 E668L610-N666 HydrophobicContact CD2-CB 3.76Å; L663-N666 HydrophobicContact CB-CB 4.33Å; L663-N666 WeakPolarHBondContact O-CB 3.32Å; L663-N666 PolarHBondContact O-N 2.74Å; L663-N666 VanDerWaalsContact O-N 3.15Å; L663-N666 PolarHBondContact O-ND2 3.36Å; G664-N666 PolarHBondContact O-N 3.46Å; N666-E668 PolarHBondContact O-N 3.25Å
667I97.9Very high97.6Very high0 Ų039.3 Ų39.30%022%0.219CC..G310 helixtrans-73.3-16.2176.7-156171.7000112.9Y617 L659 A660 L663 G664 G665 Q669 L670 V671 L702 A705Y617-I667 HydrophobicContact CD2-CD1 4.19Å; Y617-I667 HydrophobicContact CD2-CG1 4.41Å; Y617-I667 HydrophobicContact CE2-CD1 3.98Å; Y617-I667 HydrophobicContact CE2-CG1 4.19Å; L659-I667 HydrophobicContact CB-CD1 3.98Å; A660-I667 HydrophobicContact CB-CD1 3.9Å; L663-I667 HydrophobicContact CB-CB 4.25Å; L663-I667 HydrophobicContact CD1-CB 4.4Å; L663-I667 HydrophobicContact CD1-CG1 4.37Å; G664-I667 VanDerWaalsContact O-CG2 3.27Å; G664-I667 WeakPolarHBondContact O-CG2 3.39Å; G664-I667 PolarHBondContact O-N 3.48Å; G665-I667 PolarHBondContact O-N 3.21Å; I667-Q669 VanDerWaalsContact C-N 3.3Å; I667-Q669 PolarHBondContact O-N 3Å; I667-Q669 VanDerWaalsContact O-N 3.12Å; I667-L670 HydrophobicContact CG1-CB 4.4Å; I667-L670 HydrophobicContact CG1-CD1 4.34Å; I667-L670 WeakPolarHBondContact O-CB 3.5Å; I667-L670 PolarHBondContact O-N 2.85Å; I667-V671 HydrophobicContact CG1-CG2 4.26Å; I667-V671 HydrophobicContact CG2-CG2 4.24Å; I667-V671 PolarHBondContact O-N 3.17Å; I667-V671 VanDerWaalsContact O-N 3.17Å; I667-L702 HydrophobicContact CG2-CD2 4.44Å; I667-A705 HydrophobicContact CG2-CB 4Å
668E97.7Very high97.6Very high69 Ų6943 Ų4332%0.32224%0.241SC..Hα-helixtrans-47.6-48.2-172.6-179.2-172.3-17600113G665 N666 L670 V671 A672 C706 Q708 H709G665-E668 WeakPolarHBondContact O-CB 3.42Å; G665-E668 PolarHBondContact O-N 3.31Å; N666-E668 PolarHBondContact O-N 3.25Å; E668-L670 VanDerWaalsContact C-N 3.27Å; E668-L670 PolarHBondContact O-N 2.88Å; E668-V671 PolarHBondContact O-N 3.4Å; E668-A672 WeakPolarHBondContact O-CB 3.29Å; E668-A672 PolarHBondContact O-N 3.34Å; E668-C706 HydrophobicContact CB-CB 4.23Å; E668-C706 HydrophobicContact CG-CB 4.45Å; E668-Q708 PolarHBondContact OE1-NE2 3.31Å; E668-H709 VanDerWaalsContact CG-NE2 3.33Å; E668-H709 WeakPolarHBondContact CG-NE2 3.24Å; E668-H709 IonicContact OE1-NE2 2.79Å
669Q97.2Very high97.7Very high101 Ų10143.4 Ų43.447%0.47224%0.242SC..Hα-helixtrans-65.7-29.8-177-71-64.7-47.500113.1I667 R673I667-Q669 VanDerWaalsContact C-N 3.3Å; I667-Q669 PolarHBondContact O-N 3Å; I667-Q669 VanDerWaalsContact O-N 3.12Å; Q669-R673 WeakPolarHBondContact O-CB 3.31Å; Q669-R673 WeakPolarHBondContact O-CD 3.44Å; Q669-R673 WeakPolarHBondContact O-CG 3.29Å; Q669-R673 PolarHBondContact O-N 3.01Å
670L98.2Very high97.6Very high18 Ų1843.4 Ų43.49%0.09424%0.242CC..Hα-helixtrans-73.7-41176.7-63174.8000110.5C613 E614 Y617 I667 E668 R673 S674C613-L670 HydrophobicContact CB-CD1 4.27Å; E614-L670 HydrophobicContact CB-CD2 4.1Å; E614-L670 HydrophobicContact CG-CD2 3.99Å; Y617-L670 HydrophobicContact CD1-CB 3.81Å; Y617-L670 HydrophobicContact CD1-CD1 4.43Å; Y617-L670 HydrophobicContact CD1-CD2 4.47Å; Y617-L670 HydrophobicContact CD1-CG 4.47Å; Y617-L670 HydrophobicContact CD2-CB 4.14Å; Y617-L670 HydrophobicContact CD2-CD1 4.14Å; Y617-L670 HydrophobicContact CE1-CB 3.71Å; Y617-L670 WeakPolarHBondContact CE1-O 3.5Å; Y617-L670 HydrophobicContact CE2-CB 4.07Å; Y617-L670 HydrophobicContact CG-CB 4.01Å; Y617-L670 HydrophobicContact CG-CD1 3.94Å; Y617-L670 HydrophobicContact CG-CG 4.45Å; Y617-L670 PolarHBondContact OH-O 3.08Å; I667-L670 HydrophobicContact CG1-CB 4.4Å; I667-L670 HydrophobicContact CG1-CD1 4.34Å; I667-L670 WeakPolarHBondContact O-CB 3.5Å; I667-L670 PolarHBondContact O-N 2.85Å; E668-L670 VanDerWaalsContact C-N 3.27Å; E668-L670 PolarHBondContact O-N 2.88Å; L670-R673 PolarHBondContact O-N 2.88Å; L670-S674 WeakPolarHBondContact O-CB 3.48Å; L670-S674 PolarHBondContact O-N 2.97Å; L670-S674 PolarHBondContact O-OG 2.9Å
671V98.2Very high97.7Very high6 Ų647.1 Ų47.14%0.03626%0.257CS..Hα-helixtrans-64.3-46.7174.6-179.90000111Y617 I667 E668 R673 S674 I676 L677 L702 H709Y617-V671 WeakPolarHBondContact OH-CA 3.46Å; Y617-V671 PolarHBondContact OH-N 3.42Å; I667-V671 HydrophobicContact CG1-CG2 4.26Å; I667-V671 HydrophobicContact CG2-CG2 4.24Å; I667-V671 PolarHBondContact O-N 3.17Å; I667-V671 VanDerWaalsContact O-N 3.17Å; E668-V671 PolarHBondContact O-N 3.4Å; V671-R673 PolarHBondContact O-N 3.03Å; V671-S674 PolarHBondContact O-N 3.39Å; V671-I676 HydrophobicContact CG1-CG2 4.21Å; V671-L677 HydrophobicContact CG1-CD1 4.46Å; V671-L677 HydrophobicContact CG1-CG 4.49Å; V671-L702 HydrophobicContact CG2-CD2 3.69Å; V671-H709 HydrophobicContact CG1-CB 4Å
672A97.3Very high97.7Very high53 Ų5345.7 Ų45.744%0.43825%0.25SS..Hα-helixtrans-61.5-26.6-179.800000113.7E668E668-A672 WeakPolarHBondContact O-CB 3.29Å; E668-A672 PolarHBondContact O-N 3.34Å
673R96.6Very high97.8Very high177 Ų17745.2 Ų45.267%0.66825%0.245SC*.Hα-helixtrans-97.6-6.6-178.2-68175.3-169177.37.1113.7Q669 L670 V671Q669-R673 WeakPolarHBondContact O-CB 3.31Å; Q669-R673 WeakPolarHBondContact O-CD 3.44Å; Q669-R673 WeakPolarHBondContact O-CG 3.29Å; Q669-R673 PolarHBondContact O-N 3.01Å; L670-R673 PolarHBondContact O-N 2.88Å; V671-R673 PolarHBondContact O-N 3.03Å
674S97.7Very high97.8Very high37 Ų3745 Ų4526%0.25924%0.244SC..SBendtrans-110.2172.8179.980.80000112.1Y617 L670 V671 I676Y617-S674 PolarHBondContact OH-OG 2.96Å; L670-S674 WeakPolarHBondContact O-CB 3.48Å; L670-S674 PolarHBondContact O-N 2.97Å; L670-S674 PolarHBondContact O-OG 2.9Å; V671-S674 PolarHBondContact O-N 3.39Å; S674-I676 WeakPolarHBondContact OG-CB 3.26Å; S674-I676 WeakPolarHBondContact OG-CG2 3.39Å; S674-I676 PolarHBondContact OG-N 2.68Å
675N97.2Very high97.9Very high63 Ų6348.9 Ų48.934%0.33726%0.256SS..  trans-100.320173.260.5-19.3000112.1Q625 L677 T678 L679Q625-N675 PolarHBondContact OE1-ND2 3.33Å; N675-L677 VanDerWaalsContact C-N 3.3Å; N675-L677 PolarHBondContact O-N 3.05Å; N675-T678 WeakPolarHBondContact O-CB 3.41Å; N675-T678 PolarHBondContact O-N 3.35Å; N675-L679 PolarHBondContact O-N 3.01Å; N675-L679 VanDerWaalsContact O-N 3.11Å
676I98.4Very high97.9Very high2 Ų247.6 Ų47.61%0.0124%0.239CC..Hα-helixtrans-58.3-38.6-170-171.353.9000112.8Y617 V621 L656 V671 S674 T678 L679 M680 L698Y617-I676 WeakPolarHBondContact OH-CG2 3.41Å; V621-I676 HydrophobicContact CG2-CB 4.39Å; V621-I676 HydrophobicContact CG2-CD1 4.33Å; L656-I676 HydrophobicContact CD1-CD1 3.67Å; L656-I676 HydrophobicContact CD1-CG1 4.25Å; V671-I676 HydrophobicContact CG1-CG2 4.21Å; S674-I676 WeakPolarHBondContact OG-CB 3.26Å; S674-I676 WeakPolarHBondContact OG-CG2 3.39Å; S674-I676 PolarHBondContact OG-N 2.68Å; I676-T678 VanDerWaalsContact C-N 3.27Å; I676-T678 PolarHBondContact O-N 3.06Å; I676-L679 HydrophobicContact CD1-CB 4.45Å; I676-L679 PolarHBondContact O-N 2.98Å; I676-L679 VanDerWaalsContact O-N 3.13Å; I676-M680 VanDerWaalsContact O-CB 3.25Å; I676-M680 WeakPolarHBondContact O-CB 3.34Å; I676-M680 PolarHBondContact O-N 3.39Å; I676-L698 HydrophobicContact CD1-CD2 4.23Å; I676-L698 HydrophobicContact CG1-CD2 4.07Å
677L98.3Very high97.7Very high25 Ų2551.8 Ų51.813%0.13125%0.253CS..Hα-helixtrans-63.5-34.4179.1-64.1175.1000112.4V671 N675 M680 Y681 L702 H709 V710V671-L677 HydrophobicContact CG1-CD1 4.46Å; V671-L677 HydrophobicContact CG1-CG 4.49Å; N675-L677 VanDerWaalsContact C-N 3.3Å; N675-L677 PolarHBondContact O-N 3.05Å; L677-M680 HydrophobicContact CD2-CE 3.64Å; L677-Y681 PolarHBondContact O-N 2.82Å; L677-L702 HydrophobicContact CD2-CD1 4.07Å; L677-H709 HydrophobicContact CD1-CB 4.04Å; L677-H709 WeakPolarHBondContact CD1-O 3.34Å; L677-V710 HydrophobicContact CD2-CG2 4.27Å
678T98.2Very high97.6Very high87 Ų8754.5 Ų54.553%0.53427%0.266SS..Hα-helixtrans-72.7-35.6175-54.20000112N675 I676 Q682N675-T678 WeakPolarHBondContact O-CB 3.41Å; N675-T678 PolarHBondContact O-N 3.35Å; I676-T678 VanDerWaalsContact C-N 3.27Å; I676-T678 PolarHBondContact O-N 3.06Å; T678-Q682 PolarHBondContact O-NE2 3.44Å
679L98.6Very high97.5Very high9 Ų952.6 Ų52.65%0.04726%0.259CS..Hα-helixtrans-70.3-45175-60.8176.8000110.4V621 V624 Q625 L628 N675 I676 Y681 Q682 C683V621-L679 HydrophobicContact CG1-CD1 3.96Å; V624-L679 HydrophobicContact CG1-CB 3.99Å; V624-L679 HydrophobicContact CG1-CD1 4.29Å; Q625-L679 HydrophobicContact CB-CD1 3.9Å; Q625-L679 HydrophobicContact CB-CD2 4.22Å; Q625-L679 HydrophobicContact CG-CD2 4.16Å; L628-L679 HydrophobicContact CD1-CB 4.05Å; L628-L679 HydrophobicContact CD1-CD2 3.97Å; N675-L679 PolarHBondContact O-N 3.01Å; N675-L679 VanDerWaalsContact O-N 3.11Å; I676-L679 HydrophobicContact CD1-CB 4.45Å; I676-L679 PolarHBondContact O-N 2.98Å; I676-L679 VanDerWaalsContact O-N 3.13Å; L679-Y681 VanDerWaalsContact C-N 3.3Å; L679-Y681 PolarHBondContact O-N 3.27Å; L679-Q682 WeakPolarHBondContact O-CA 3.49Å; L679-Q682 WeakPolarHBondContact O-CB 3.45Å; L679-Q682 PolarHBondContact O-N 2.86Å; L679-C683 PolarHBondContact O-N 3.09Å; L679-C683 PolarHBondContact O-SG 3.11Å; L679-C683 VanDerWaalsContact O-SG 3.41Å
680M98Very high97.4Very high0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-57.3-42.5176.1-171.617671.600111.1I676 L677 Q682 C683 M684 L698 L699 L702 F717I676-M680 VanDerWaalsContact O-CB 3.25Å; I676-M680 WeakPolarHBondContact O-CB 3.34Å; I676-M680 PolarHBondContact O-N 3.39Å; L677-M680 HydrophobicContact CD2-CE 3.64Å; M680-Q682 PolarHBondContact O-N 2.93Å; M680-C683 PolarHBondContact O-N 2.97Å; M680-C683 VanDerWaalsContact O-N 3.11Å; M680-M684 HydrophobicContact CG-CG 4.33Å; M680-M684 HydrophobicContact CG-SD 4.27Å; M680-M684 WeakPolarHBondContact O-CB 3.44Å; M680-M684 WeakPolarHBondContact O-CG 3.39Å; M680-M684 PolarHBondContact O-N 2.63Å; M680-L698 HydrophobicContact SD-CB 4.35Å; M680-L698 HydrophobicContact SD-CD2 4.15Å; M680-L698 HydrophobicContact SD-CG 4.02Å; M680-L699 HydrophobicContact CE-CB 4.04Å; M680-L699 HydrophobicContact CE-CD1 3.64Å; M680-L699 HydrophobicContact CE-CG 4.35Å; M680-L699 HydrophobicContact SD-CB 3.88Å; M680-L702 HydrophobicContact SD-CD1 4.39Å; M680-F717 HydrophobicContact CE-CD2 4.25Å; M680-F717 HydrophobicContact CE-CE2 3.32Å; M680-F717 HydrophobicContact CE-CZ 3.61Å
681Y98.5Very high97.4Very high80 Ų8050.2 Ų50.231%0.31425%0.248SC..Hα-helixtrans-53.7-37.3172.6-176.4-120.1000113.4L677 L679 Q685 D716 F717 I720L677-Y681 PolarHBondContact O-N 2.82Å; L679-Y681 VanDerWaalsContact C-N 3.3Å; L679-Y681 PolarHBondContact O-N 3.27Å; Y681-Q685 PolarHBondContact O-NE2 3.15Å; Y681-D716 HydrophobicContact CD2-CB 4.27Å; Y681-D716 HydrophobicContact CE2-CB 3.75Å; Y681-F717 AromaticContact CD2-CD1 3.81Å; Y681-F717 HydrophobicContact CD2-CD1 3.81Å; Y681-F717 AromaticContact CD2-CE1 3.65Å; Y681-F717 HydrophobicContact CD2-CE1 3.65Å; Y681-F717 HydrophobicContact CG-CE1 4.13Å; Y681-I720 HydrophobicContact CD2-CD1 3.84Å; Y681-I720 HydrophobicContact CE2-CD1 3.5Å
682Q98.3Very high97.4Very high55 Ų5552 Ų5226%0.25725%0.254SS..Hα-helixtrans-75.5-43177.8-62.7167.250.600111L628 T678 L679 M680 M684 Q685 D686L628-Q682 HydrophobicContact CD1-CB 4.05Å; L628-Q682 HydrophobicContact CD2-CB 4.12Å; T678-Q682 PolarHBondContact O-NE2 3.44Å; L679-Q682 WeakPolarHBondContact O-CA 3.49Å; L679-Q682 WeakPolarHBondContact O-CB 3.45Å; L679-Q682 PolarHBondContact O-N 2.86Å; M680-Q682 PolarHBondContact O-N 2.93Å; Q682-M684 VanDerWaalsContact C-N 3.32Å; Q682-M684 PolarHBondContact O-N 3.22Å; Q682-Q685 PolarHBondContact O-N 2.98Å; Q682-Q685 VanDerWaalsContact O-N 3.1Å; Q682-D686 PolarHBondContact O-N 3.22Å
683C98.5Very high97.4Very high0 Ų050 Ų500%024%0.235CC..Hα-helixtrans-59-41.6175.3-63.30000112.1L653 L679 M680 Q685 D686 V691L653-C683 HydrophobicContact CD1-CB 4.16Å; L679-C683 PolarHBondContact O-N 3.09Å; L679-C683 PolarHBondContact O-SG 3.11Å; L679-C683 VanDerWaalsContact O-SG 3.41Å; M680-C683 PolarHBondContact O-N 2.97Å; M680-C683 VanDerWaalsContact O-N 3.11Å; C683-Q685 PolarHBondContact O-N 3.24Å; C683-Q685 VanDerWaalsContact O-N 3.11Å; C683-D686 VanDerWaalsContact O-CB 3.24Å; C683-D686 WeakPolarHBondContact O-CB 3.44Å; C683-D686 PolarHBondContact O-N 3.38Å; C683-V691 HydrophobicContact CB-CG1 3.8Å
684M98.5Very high97.4Very high0 Ų041.6 Ų41.60%020%0.204CC..THydrogen-bonded Turntrans-60.8-21.2176.9-69.9174.472.700113.4M680 Q682 R692 S695 F696 L699 F717 I720 L721M680-M684 HydrophobicContact CG-CG 4.33Å; M680-M684 HydrophobicContact CG-SD 4.27Å; M680-M684 WeakPolarHBondContact O-CB 3.44Å; M680-M684 WeakPolarHBondContact O-CG 3.39Å; M680-M684 PolarHBondContact O-N 2.63Å; Q682-M684 VanDerWaalsContact C-N 3.32Å; Q682-M684 PolarHBondContact O-N 3.22Å; M684-R692 WeakPolarHBondContact O-CD 3.5Å; M684-R692 WeakPolarHBondContact O-CG 3.5Å; M684-S695 WeakPolarHBondContact CA-OG 3.45Å; M684-S695 VanDerWaalsContact CG-OG 3.31Å; M684-S695 WeakPolarHBondContact CG-OG 3.25Å; M684-F696 HydrophobicContact CB-CE1 3.84Å; M684-F696 HydrophobicContact CE-CD1 3.94Å; M684-F696 HydrophobicContact CE-CE1 3.62Å; M684-F696 HydrophobicContact CG-CD1 3.93Å; M684-F696 HydrophobicContact CG-CE1 3.63Å; M684-F696 HydrophobicContact SD-CE1 4.46Å; M684-L699 HydrophobicContact CE-CD2 3.73Å; M684-L699 HydrophobicContact SD-CD2 4.16Å; M684-F717 HydrophobicContact CE-CB 3.9Å; M684-F717 HydrophobicContact CE-CD1 4.17Å; M684-F717 HydrophobicContact CE-CG 4Å; M684-F717 HydrophobicContact SD-CD1 3.81Å; M684-F717 HydrophobicContact SD-CD2 4.4Å; M684-F717 HydrophobicContact SD-CE1 4.05Å; M684-F717 HydrophobicContact SD-CG 4Å; M684-F717 HydrophobicContact SD-CZ 4.42Å; M684-I720 HydrophobicContact CB-CD1 4.3Å; M684-I720 HydrophobicContact CB-CG2 4.02Å; M684-I720 HydrophobicContact CE-CB 4.21Å; M684-I720 HydrophobicContact CE-CG2 4.28Å; M684-I720 VanDerWaalsContact O-CG2 3.27Å; M684-I720 WeakPolarHBondContact O-CG2 3.47Å; M684-L721 HydrophobicContact CE-CD2 4.32Å; M684-L721 HydrophobicContact CE-CG 4.16Å
685Q97.5Very high97.4Very high104 Ų10439.8 Ų39.849%0.48619%0.191SC..THydrogen-bonded Turntrans-103.35.2177.9-67.1172.89100112.8Y681 Q682 C683 I720Y681-Q685 PolarHBondContact O-NE2 3.15Å; Q682-Q685 PolarHBondContact O-N 2.98Å; Q682-Q685 VanDerWaalsContact O-N 3.1Å; C683-Q685 PolarHBondContact O-N 3.24Å; C683-Q685 VanDerWaalsContact O-N 3.11Å; Q685-I720 HydrophobicContact CG-CD1 3.67Å; Q685-I720 HydrophobicContact CG-CG1 4.28Å
686D97.4Very high97.5Very high19 Ų1936.8 Ų36.810%0.10218%0.175CC..  trans-65.8150.7-180-160.4-71.9000111.1K646 Q682 C683 M688 V691 R692K646-D686 IonicContact NZ-OD1 2.78Å; K646-D686 PolarHBondContact NZ-OD1 3.45Å; K646-D686 IonicContact NZ-OD2 3.64Å; K646-D686 PolarHBondContact NZ-OD2 3.1Å; Q682-D686 PolarHBondContact O-N 3.22Å; C683-D686 VanDerWaalsContact O-CB 3.24Å; C683-D686 WeakPolarHBondContact O-CB 3.44Å; C683-D686 PolarHBondContact O-N 3.38Å; D686-M688 VanDerWaalsContact C-N 3.3Å; D686-M688 WeakPolarHBondContact OD1-CB 3.46Å; D686-M688 PolarHBondContact OD1-N 2.97Å; D686-V691 HydrophobicContact CB-CB 3.96Å; D686-V691 HydrophobicContact CB-CG1 3.62Å; D686-R692 VanDerWaalsContact O-CD 3.26Å; D686-R692 WeakPolarHBondContact O-CD 3.24Å; D686-R692 PolarHBondContact O-NE 3.38Å
687K94.6Very high97.5Very high183 Ų18337 Ų3780%0.79618%0.177SC*.SBendtrans-70.2-29.8178.1-63.7-179.8-178.3174.30111.9P689K687-P689 WeakPolarHBondContact O-CD 3.47Å
688M95Very high97.5Very high57 Ų5735.9 Ų35.928%0.28117%0.171SC..SBendtrans-76118.4-178.6-170.7165.3-17700109.7K646 I650 D686 E690 V691 R692K646-M688 HydrophobicContact CB-SD 3.84Å; K646-M688 HydrophobicContact CD-CB 4.34Å; K646-M688 HydrophobicContact CD-SD 3.94Å; K646-M688 HydrophobicContact CG-SD 4.41Å; I650-M688 HydrophobicContact CD1-CE 3.96Å; I650-M688 HydrophobicContact CD1-SD 4.23Å; D686-M688 VanDerWaalsContact C-N 3.3Å; D686-M688 WeakPolarHBondContact OD1-CB 3.46Å; D686-M688 PolarHBondContact OD1-N 2.97Å; M688-E690 VanDerWaalsContact C-N 3.28Å; M688-E690 HydrophobicContact CE-CB 4.11Å; M688-E690 HydrophobicContact CE-CG 4.17Å; M688-E690 WeakPolarHBondContact CE-OE2 3.35Å; M688-E690 HydrophobicContact CG-CB 4.27Å; M688-E690 WeakPolarHBondContact CG-OE2 3.32Å; M688-E690 PolarHBondContact O-N 3.48Å; M688-V691 HydrophobicContact CB-CB 4.33Å; M688-V691 HydrophobicContact CB-CG2 3.91Å; M688-V691 HydrophobicContact CG-CG2 4.14Å; M688-V691 PolarHBondContact O-N 3.4Å; M688-V691 HydrophobicContact SD-CG2 4.16Å; M688-R692 PolarHBondContact O-N 2.74Å
689P95.7Very high97.5Very high28 Ų2831.7 Ų31.718%0.18215%0.146CC..Hα-helixtrans-50.5-43.7176.7-28.636.6000113.8K687 V691 R692 Q693 F729 V732K687-P689 WeakPolarHBondContact O-CD 3.47Å; P689-V691 PolarHBondContact O-N 3.43Å; P689-R692 CarbonylContact O-C 3.54Å; P689-R692 WeakPolarHBondContact O-CA 3.39Å; P689-R692 WeakPolarHBondContact O-CB 3.29Å; P689-R692 PolarHBondContact O-N 2.94Å; P689-Q693 PolarHBondContact O-N 3.05Å; P689-F729 HydrophobicContact CB-CD1 3.97Å; P689-F729 HydrophobicContact CB-CE1 4.4Å; P689-F729 HydrophobicContact CG-CD1 3.74Å; P689-F729 HydrophobicContact CG-CE1 3.65Å; P689-V732 HydrophobicContact CB-CG2 3.69Å; P689-V732 VanDerWaalsContact O-CG2 3.27Å; P689-V732 WeakPolarHBondContact O-CG2 3.44Å
690E95.2Very high97.5Very high69 Ų6931.3 Ų31.332%0.32214%0.143SC..Hα-helixtrans-63.1-39.8-175.5-60.476.3-168.600111.5S350 I650 M688 R692 Q693 S694S350-E690 WeakPolarHBondContact OG-CB 3.28Å; I650-E690 HydrophobicContact CD1-CB 3.71Å; M688-E690 VanDerWaalsContact C-N 3.28Å; M688-E690 HydrophobicContact CE-CB 4.11Å; M688-E690 HydrophobicContact CE-CG 4.17Å; M688-E690 WeakPolarHBondContact CE-OE2 3.35Å; M688-E690 HydrophobicContact CG-CB 4.27Å; M688-E690 WeakPolarHBondContact CG-OE2 3.32Å; M688-E690 PolarHBondContact O-N 3.48Å; E690-R692 VanDerWaalsContact C-N 3.32Å; E690-R692 PolarHBondContact O-N 3.5Å; E690-Q693 WeakPolarHBondContact O-CB 3.29Å; E690-Q693 PolarHBondContact O-N 3.37Å; E690-S694 PolarHBondContact O-N 3.3Å; E690-S694 VanDerWaalsContact O-N 3.13Å
691V97.5Very high97.5Very high0 Ų031.7 Ų31.70%015%0.146CC..Hα-helixtrans-62.8-40.5173.3175.70000111.3K646 M649 I650 C683 D686 M688 P689 S695K646-V691 HydrophobicContact CB-CG2 4.22Å; K646-V691 HydrophobicContact CD-CG2 4.06Å; M649-V691 HydrophobicContact CE-CG2 4.25Å; M649-V691 HydrophobicContact CG-CG1 4.26Å; M649-V691 HydrophobicContact CG-CG2 4.13Å; M649-V691 HydrophobicContact SD-CB 4.36Å; M649-V691 HydrophobicContact SD-CG1 3.46Å; M649-V691 WeakPolarHBondContact SD-CG1 3.41Å; M649-V691 HydrophobicContact SD-CG2 3.9Å; I650-V691 HydrophobicContact CD1-CG2 3.99Å; I650-V691 HydrophobicContact CG1-CG2 3.75Å; C683-V691 HydrophobicContact CB-CG1 3.8Å; D686-V691 HydrophobicContact CB-CB 3.96Å; D686-V691 HydrophobicContact CB-CG1 3.62Å; M688-V691 HydrophobicContact CB-CB 4.33Å; M688-V691 HydrophobicContact CB-CG2 3.91Å; M688-V691 HydrophobicContact CG-CG2 4.14Å; M688-V691 PolarHBondContact O-N 3.4Å; M688-V691 HydrophobicContact SD-CG2 4.16Å; P689-V691 PolarHBondContact O-N 3.43Å; V691-S695 WeakPolarHBondContact O-CB 3.33Å; V691-S695 PolarHBondContact O-N 3.26Å; V691-S695 VanDerWaalsContact O-N 3.12Å; V691-S695 PolarHBondContact O-OG 3.37Å
692R98.1Very high97.5Very high43 Ų4328 Ų2816%0.16213%0.131CC..Hα-helixtrans-67.2-44.4177.6-69.3-177.4-76164.8-6.4110.5M684 D686 M688 P689 E690 S694 S695 F696 N724 V732M684-R692 WeakPolarHBondContact O-CD 3.5Å; M684-R692 WeakPolarHBondContact O-CG 3.5Å; D686-R692 VanDerWaalsContact O-CD 3.26Å; D686-R692 WeakPolarHBondContact O-CD 3.24Å; D686-R692 PolarHBondContact O-NE 3.38Å; M688-R692 PolarHBondContact O-N 2.74Å; P689-R692 CarbonylContact O-C 3.54Å; P689-R692 WeakPolarHBondContact O-CA 3.39Å; P689-R692 WeakPolarHBondContact O-CB 3.29Å; P689-R692 PolarHBondContact O-N 2.94Å; E690-R692 VanDerWaalsContact C-N 3.32Å; E690-R692 PolarHBondContact O-N 3.5Å; R692-S694 PolarHBondContact O-N 3.09Å; R692-S695 WeakPolarHBondContact CA-OG 3.31Å; R692-S695 PolarHBondContact O-N 3.13Å; R692-S695 PolarHBondContact O-OG 3.37Å; R692-F696 HydrophobicContact CB-CD2 4.49Å; R692-F696 HydrophobicContact CB-CE2 3.83Å; R692-F696 HydrophobicContact CB-CZ 3.96Å; R692-F696 HydrophobicContact CG-CZ 4.48Å; R692-F696 VanDerWaalsContact O-CD2 3.23Å; R692-F696 WeakPolarHBondContact O-CD2 3.31Å; R692-F696 WeakPolarHBondContact O-CG 3.45Å; R692-F696 PolarHBondContact O-N 3.31Å; R692-N724 PolarHBondContact NH1-OD1 3.18Å; R692-V732 HydrophobicContact CB-CG1 4.09Å
693Q96.8Very high97.5Very high12 Ų1225.3 Ų25.36%0.05612%0.119CC..Hα-helixtrans-51.2-56.4176.4174.8179-20.900112.2R351 P689 E690 S695 F696 A697 S731 V732 N735R351-Q693 PolarHBondContact O-NE2 2.9Å; P689-Q693 PolarHBondContact O-N 3.05Å; E690-Q693 WeakPolarHBondContact O-CB 3.29Å; E690-Q693 PolarHBondContact O-N 3.37Å; Q693-S695 VanDerWaalsContact C-N 3.33Å; Q693-S695 PolarHBondContact O-N 2.89Å; Q693-F696 PolarHBondContact O-N 2.84Å; Q693-A697 PolarHBondContact O-N 2.76Å; Q693-A697 VanDerWaalsContact O-N 3.09Å; Q693-S731 VanDerWaalsContact OE1-CB 3.29Å; Q693-V732 HydrophobicContact CB-CG2 4.11Å; Q693-N735 VanDerWaalsContact CG-ND2 3.28Å; Q693-N735 WeakPolarHBondContact CG-ND2 3.41Å; Q693-N735 PolarHBondContact O-ND2 3.33Å
694S97.8Very high97.4Very high0 Ų030.5 Ų30.50%014%0.141CC..Hα-helixtrans-66-34.6179.6-61.90000112.6I650 D654 E690 R692 F696 A697 L698I650-S694 WeakPolarHBondContact CG2-OG 3.26Å; D654-S694 WeakPolarHBondContact OD1-CB 3.5Å; D654-S694 PolarHBondContact OD1-OG 3.48Å; E690-S694 PolarHBondContact O-N 3.3Å; E690-S694 VanDerWaalsContact O-N 3.13Å; R692-S694 PolarHBondContact O-N 3.09Å; S694-F696 VanDerWaalsContact C-N 3.31Å; S694-F696 PolarHBondContact O-N 2.92Å; S694-A697 PolarHBondContact O-N 2.62Å; S694-L698 PolarHBondContact O-N 3.02Å
695S98.4Very high97.3Very high0 Ų031.3 Ų31.30%015%0.148CC..Hα-helixtrans-66.4-32.4175.6770000113.1M684 V691 R692 Q693 L699M684-S695 WeakPolarHBondContact CA-OG 3.45Å; M684-S695 VanDerWaalsContact CG-OG 3.31Å; M684-S695 WeakPolarHBondContact CG-OG 3.25Å; V691-S695 WeakPolarHBondContact O-CB 3.33Å; V691-S695 PolarHBondContact O-N 3.26Å; V691-S695 VanDerWaalsContact O-N 3.12Å; V691-S695 PolarHBondContact O-OG 3.37Å; R692-S695 WeakPolarHBondContact CA-OG 3.31Å; R692-S695 PolarHBondContact O-N 3.13Å; R692-S695 PolarHBondContact O-OG 3.37Å; Q693-S695 VanDerWaalsContact C-N 3.33Å; Q693-S695 PolarHBondContact O-N 2.89Å; S695-L699 WeakPolarHBondContact O-CB 3.48Å; S695-L699 PolarHBondContact O-N 3.34Å
696F98.5Very high97.3Very high0 Ų026.4 Ų26.40%013%0.125CC..Hα-helixtrans-76.5-36.2176.7-59.8-28.3000112.1M684 R692 Q693 S694 L699 G700 I720 L721 N724 V732 N735 A736M684-F696 HydrophobicContact CB-CE1 3.84Å; M684-F696 HydrophobicContact CE-CD1 3.94Å; M684-F696 HydrophobicContact CE-CE1 3.62Å; M684-F696 HydrophobicContact CG-CD1 3.93Å; M684-F696 HydrophobicContact CG-CE1 3.63Å; M684-F696 HydrophobicContact SD-CE1 4.46Å; R692-F696 HydrophobicContact CB-CD2 4.49Å; R692-F696 HydrophobicContact CB-CE2 3.83Å; R692-F696 HydrophobicContact CB-CZ 3.96Å; R692-F696 HydrophobicContact CG-CZ 4.48Å; R692-F696 VanDerWaalsContact O-CD2 3.23Å; R692-F696 WeakPolarHBondContact O-CD2 3.31Å; R692-F696 WeakPolarHBondContact O-CG 3.45Å; R692-F696 PolarHBondContact O-N 3.31Å; Q693-F696 PolarHBondContact O-N 2.84Å; S694-F696 VanDerWaalsContact C-N 3.31Å; S694-F696 PolarHBondContact O-N 2.92Å; F696-L699 PolarHBondContact O-N 2.84Å; F696-G700 PolarHBondContact O-N 3.43Å; F696-G700 VanDerWaalsContact O-N 3.09Å; F696-I720 HydrophobicContact CE1-CG2 4.24Å; F696-I720 HydrophobicContact CZ-CG2 4.22Å; F696-L721 HydrophobicContact CB-CD2 4.49Å; F696-L721 HydrophobicContact CD1-CD2 3.59Å; F696-L721 HydrophobicContact CE1-CD2 3.9Å; F696-L721 HydrophobicContact CG-CD2 3.97Å; F696-N724 HydrophobicContact CE2-CB 3.58Å; F696-N724 HydrophobicContact CZ-CB 3.87Å; F696-V732 HydrophobicContact CD2-CG1 3.97Å; F696-V732 HydrophobicContact CE2-CG1 3.55Å; F696-N735 HydrophobicContact CB-CB 3.84Å; F696-A736 HydrophobicContact CD2-CB 3.77Å; F696-A736 HydrophobicContact CE2-CB 4.06Å; F696-A736 HydrophobicContact CG-CB 4.37Å
697A97.9Very high97.4Very high5 Ų526.6 Ų26.64%0.04113%0.125CC..Hα-helixtrans-58.2-51.5169.200000110.8V353 S657 Q693 S694 L699 G700 D701 W738V353-A697 HydrophobicContact CG2-CB 3.73Å; S657-A697 PolarHBondContact OG-O 2.92Å; Q693-A697 PolarHBondContact O-N 2.76Å; Q693-A697 VanDerWaalsContact O-N 3.09Å; S694-A697 PolarHBondContact O-N 2.62Å; A697-L699 VanDerWaalsContact C-N 3.27Å; A697-L699 PolarHBondContact O-N 2.56Å; A697-G700 PolarHBondContact O-N 3.24Å; A697-D701 PolarHBondContact O-N 2.91Å; A697-D701 VanDerWaalsContact O-N 3.08Å; A697-W738 WeakPolarHBondContact O-CH2 3.26Å; A697-W738 WeakPolarHBondContact O-CZ3 3.07Å
698L98.4Very high97.5Very high2 Ų222.4 Ų22.41%0.0111%0.108CC..Hα-helixtrans-59.3-39.8177.2178.360.1000112.2L653 L656 S657 I676 M680 S694 D701 L702L653-L698 HydrophobicContact CD2-CD2 3.65Å; L656-L698 VanDerWaalsContact C-CD1 3.49Å; L656-L698 HydrophobicContact CB-CD1 3.7Å; L656-L698 HydrophobicContact CB-CD2 3.95Å; L656-L698 HydrophobicContact CB-CG 4.47Å; L656-L698 HydrophobicContact CD1-CD2 4.24Å; S657-L698 WeakPolarHBondContact OG-CA 2.93Å; S657-L698 PolarHBondContact OG-N 2.74Å; I676-L698 HydrophobicContact CD1-CD2 4.23Å; I676-L698 HydrophobicContact CG1-CD2 4.07Å; M680-L698 HydrophobicContact SD-CB 4.35Å; M680-L698 HydrophobicContact SD-CD2 4.15Å; M680-L698 HydrophobicContact SD-CG 4.02Å; S694-L698 PolarHBondContact O-N 3.02Å; L698-D701 PolarHBondContact O-N 2.97Å; L698-L702 HydrophobicContact CD1-CD1 3.84Å; L698-L702 HydrophobicContact CD1-CD2 4.36Å; L698-L702 HydrophobicContact CD1-CG 3.75Å; L698-L702 HydrophobicContact CD2-CD1 4.43Å; L698-L702 HydrophobicContact CG-CD1 3.84Å; L698-L702 HydrophobicContact CG-CG 4.18Å; L698-L702 WeakPolarHBondContact O-CB 3.38Å; L698-L702 VanDerWaalsContact O-CG 3.27Å; L698-L702 WeakPolarHBondContact O-CG 3.33Å; L698-L702 PolarHBondContact O-N 3.33Å
699L98.7Very high97.6Very high0 Ų022.1 Ų22.10%011%0.106CC..Hα-helixtrans-61.9-46.8179.3172.958.1000112.4M680 M684 S695 F696 A697 D701 T703 V710 F717 L721 A739 I743M680-L699 HydrophobicContact CE-CB 4.04Å; M680-L699 HydrophobicContact CE-CD1 3.64Å; M680-L699 HydrophobicContact CE-CG 4.35Å; M680-L699 HydrophobicContact SD-CB 3.88Å; M684-L699 HydrophobicContact CE-CD2 3.73Å; M684-L699 HydrophobicContact SD-CD2 4.16Å; S695-L699 WeakPolarHBondContact O-CB 3.48Å; S695-L699 PolarHBondContact O-N 3.34Å; F696-L699 PolarHBondContact O-N 2.84Å; A697-L699 VanDerWaalsContact C-N 3.27Å; A697-L699 PolarHBondContact O-N 2.56Å; L699-D701 VanDerWaalsContact C-N 3.35Å; L699-T703 VanDerWaalsContact O-CB 3.29Å; L699-T703 WeakPolarHBondContact O-CB 3.38Å; L699-T703 PolarHBondContact O-N 2.61Å; L699-T703 PolarHBondContact O-OG1 2.9Å; L699-V710 HydrophobicContact CD1-CG1 3.58Å; L699-F717 HydrophobicContact CD1-CD2 3.53Å; L699-F717 HydrophobicContact CD1-CE2 3.76Å; L699-F717 HydrophobicContact CD2-CB 4.28Å; L699-F717 HydrophobicContact CD2-CD2 3.93Å; L699-F717 HydrophobicContact CD2-CG 4.36Å; L699-F717 HydrophobicContact CG-CD2 4.42Å; L699-L721 HydrophobicContact CD2-CD1 3.85Å; L699-L721 HydrophobicContact CD2-CD2 4.23Å; L699-L721 HydrophobicContact CD2-CG 4.32Å; L699-A739 HydrophobicContact CD2-CB 4.45Å; L699-A739 HydrophobicContact CG-CB 4.42Å; L699-I743 HydrophobicContact CD2-CD1 4.24Å; L699-I743 HydrophobicContact CG-CD1 4.45Å
700G97.9Very high97.7Very high0 Ų020.8 Ų20.80%010%0.097CC..Hα-helixtrans-68.7-35.3179.300000112.1F696 A697 T703 K704 W738F696-G700 PolarHBondContact O-N 3.43Å; F696-G700 VanDerWaalsContact O-N 3.09Å; A697-G700 PolarHBondContact O-N 3.24Å; G700-T703 WeakPolarHBondContact O-CB 2.81Å; G700-T703 PolarHBondContact O-N 2.88Å; G700-K704 PolarHBondContact O-N 3.37Å; G700-W738 VanDerWaalsContact CA-CH2 3.49Å
701D98.1Very high97.9Very high9 Ų921.4 Ų21.45%0.04810%0.099CC..Hα-helixtrans-69.5-42.3178.2-77-36.4000111.2S657 A660 A697 L698 L699 T703 K704 A705 W738S657-D701 WeakPolarHBondContact CB-OD2 3.36Å; S657-D701 PolarHBondContact OG-OD2 2.72Å; A660-D701 HydrophobicContact CB-CB 3.7Å; A697-D701 PolarHBondContact O-N 2.91Å; A697-D701 VanDerWaalsContact O-N 3.08Å; L698-D701 PolarHBondContact O-N 2.97Å; L699-D701 VanDerWaalsContact C-N 3.35Å; D701-T703 VanDerWaalsContact C-N 3.27Å; D701-T703 PolarHBondContact O-N 2.95Å; D701-K704 PolarHBondContact O-N 3.47Å; D701-A705 VanDerWaalsContact O-CB 3.22Å; D701-A705 WeakPolarHBondContact O-CB 3.14Å; D701-A705 PolarHBondContact O-N 3.29Å; D701-W738 HydrophobicContact CB-CH2 4.21Å; D701-W738 VanDerWaalsContact OD1-CH2 3.25Å; D701-W738 WeakPolarHBondContact OD1-CH2 3.28Å
702L98.5Very high97.9Very high1 Ų126.1 Ų26.11%0.00513%0.129CC..Hα-helixtrans-64.8-32.9172.3-71.4-179.6000112.3A660 I667 V671 L677 M680 L698 K704 A705 C706 V710A660-L702 HydrophobicContact CB-CD2 3.87Å; A660-L702 HydrophobicContact CB-CG 4.36Å; I667-L702 HydrophobicContact CG2-CD2 4.44Å; V671-L702 HydrophobicContact CG2-CD2 3.69Å; L677-L702 HydrophobicContact CD2-CD1 4.07Å; M680-L702 HydrophobicContact SD-CD1 4.39Å; L698-L702 HydrophobicContact CD1-CD1 3.84Å; L698-L702 HydrophobicContact CD1-CD2 4.36Å; L698-L702 HydrophobicContact CD1-CG 3.75Å; L698-L702 HydrophobicContact CD2-CD1 4.43Å; L698-L702 HydrophobicContact CG-CD1 3.84Å; L698-L702 HydrophobicContact CG-CG 4.18Å; L698-L702 WeakPolarHBondContact O-CB 3.38Å; L698-L702 VanDerWaalsContact O-CG 3.27Å; L698-L702 WeakPolarHBondContact O-CG 3.33Å; L698-L702 PolarHBondContact O-N 3.33Å; L702-K704 VanDerWaalsContact C-N 3.34Å; L702-A705 PolarHBondContact O-N 3.49Å; L702-C706 CarbonylContact O-C 3.4Å; L702-C706 PolarHBondContact O-N 3.18Å; L702-V710 HydrophobicContact CB-CG2 3.91Å
703T98.4Very high97.9Very high0 Ų025.4 Ų25.40%013%0.131CC..Hα-helixtrans-64.1-42174.2-64.10000110.7L699 G700 D701 F707 E742 I743 Q746L699-T703 VanDerWaalsContact O-CB 3.29Å; L699-T703 WeakPolarHBondContact O-CB 3.38Å; L699-T703 PolarHBondContact O-N 2.61Å; L699-T703 PolarHBondContact O-OG1 2.9Å; G700-T703 WeakPolarHBondContact O-CB 2.81Å; G700-T703 PolarHBondContact O-N 2.88Å; D701-T703 VanDerWaalsContact C-N 3.27Å; D701-T703 PolarHBondContact O-N 2.95Å; T703-F707 HydrophobicContact CG2-CD2 3.93Å; T703-F707 HydrophobicContact CG2-CE2 4.39Å; T703-F707 WeakPolarHBondContact O-CB 3.46Å; T703-E742 HydrophobicContact CG2-CB 3.96Å; T703-I743 HydrophobicContact CG2-CB 4.49Å; T703-I743 HydrophobicContact CG2-CG1 3.92Å; T703-Q746 HydrophobicContact CG2-CB 4.27Å; T703-Q746 HydrophobicContact CG2-CG 3.8Å
704K96.5Very high98Very high109 Ų10924.9 Ų24.947%0.47413%0.129SC..Hα-helixtrans-69.6-40175.6-169.4171.9-178173.50112.2G700 D701 L702 E817G700-K704 PolarHBondContact O-N 3.37Å; D701-K704 PolarHBondContact O-N 3.47Å; L702-K704 VanDerWaalsContact C-N 3.34Å; K704-E817 IonicContact NZ-OE1 2.74Å
705A97.3Very high98Very high17 Ų1727.6 Ų27.614%0.1415%0.151CC..Hα-helixtrans-82.9-43.1-172.800000114.7G665 I667 D701 L702G665-A705 WeakPolarHBondContact CA-O 3.06Å; I667-A705 HydrophobicContact CG2-CB 4Å; D701-A705 VanDerWaalsContact O-CB 3.22Å; D701-A705 WeakPolarHBondContact O-CB 3.14Å; D701-A705 PolarHBondContact O-N 3.29Å; L702-A705 PolarHBondContact O-N 3.49Å
706C97.4Very high97.9Very high1 Ų131.9 Ų31.91%0.00717%0.174CC..Hα-helixtrans-151.153.3-171.863.80000113.7E668 L702 Q708 H709E668-C706 HydrophobicContact CB-CB 4.23Å; E668-C706 HydrophobicContact CG-CB 4.45Å; L702-C706 CarbonylContact O-C 3.4Å; L702-C706 PolarHBondContact O-N 3.18Å; C706-Q708 PolarHBondContact O-N 3.34Å; C706-Q708 PolarHBondContact O-OE1 2.91Å; C706-H709 PolarHBondContact O-N 3.36Å
707F98Very high97.9Very high23 Ų2332 Ų3210%0.10118%0.175CC..Hα-helixtrans-47.8-31.3-176.2-176.1-123.2000115.8T703 H709 V710 K711 I714 Q746 M747T703-F707 HydrophobicContact CG2-CD2 3.93Å; T703-F707 HydrophobicContact CG2-CE2 4.39Å; T703-F707 WeakPolarHBondContact O-CB 3.46Å; F707-H709 PolarHBondContact O-N 2.97Å; F707-H709 VanDerWaalsContact O-N 3.11Å; F707-V710 HydrophobicContact CD2-CB 4.3Å; F707-V710 PolarHBondContact O-N 2.86Å; F707-K711 HydrophobicContact CD1-CB 4.31Å; F707-K711 HydrophobicContact CD2-CB 4.48Å; F707-K711 HydrophobicContact CE1-CB 3.92Å; F707-K711 HydrophobicContact CE1-CD 3.86Å; F707-K711 HydrophobicContact CE1-CG 4.08Å; F707-K711 HydrophobicContact CE2-CB 4.1Å; F707-K711 HydrophobicContact CZ-CB 3.8Å; F707-K711 HydrophobicContact CZ-CD 4.21Å; F707-K711 HydrophobicContact CZ-CG 3.96Å; F707-K711 WeakPolarHBondContact O-CB 3.44Å; F707-K711 PolarHBondContact O-N 2.89Å; F707-I714 HydrophobicContact CE2-CD1 4.34Å; F707-I714 HydrophobicContact CE2-CG1 4.29Å; F707-Q746 HydrophobicContact CB-CB 4.35Å; F707-Q746 HydrophobicContact CB-CG 4.19Å; F707-Q746 HydrophobicContact CD1-CB 3.63Å; F707-Q746 HydrophobicContact CD1-CG 4.36Å; F707-Q746 HydrophobicContact CD2-CB 3.63Å; F707-Q746 HydrophobicContact CD2-CG 4.09Å; F707-Q746 HydrophobicContact CE1-CB 3.67Å; F707-Q746 WeakPolarHBondContact CE1-O 3.49Å; F707-Q746 HydrophobicContact CE2-CB 3.69Å; F707-Q746 HydrophobicContact CG-CB 3.6Å; F707-Q746 HydrophobicContact CG-CG 3.96Å; F707-Q746 HydrophobicContact CZ-CB 3.7Å; F707-M747 HydrophobicContact CE2-CG 4.46Å; F707-M747 HydrophobicContact CZ-CG 3.85Å; F707-M747 HydrophobicContact CZ-SD 3.8Å
708Q97.4Very high98Very high95 Ų9531.8 Ų31.844%0.44417%0.173SC..Hα-helixtrans-56.1-28.9178.267.2-82.718.400113.5E668 C706 P712E668-Q708 PolarHBondContact OE1-NE2 3.31Å; C706-Q708 PolarHBondContact O-N 3.34Å; C706-Q708 PolarHBondContact O-OE1 2.91Å; Q708-P712 WeakPolarHBondContact O-CD 3.33Å
709H97.9Very high97.9Very high50 Ų5034.3 Ų34.323%0.23119%0.189CC..Hα-helixtrans-86.5-30.5175.8-65.2-58.2000112.5E668 V671 L677 C706 F707 P712E668-H709 VanDerWaalsContact CG-NE2 3.33Å; E668-H709 WeakPolarHBondContact CG-NE2 3.24Å; E668-H709 IonicContact OE1-NE2 2.79Å; V671-H709 HydrophobicContact CG1-CB 4Å; L677-H709 HydrophobicContact CD1-CB 4.04Å; L677-H709 WeakPolarHBondContact CD1-O 3.34Å; C706-H709 PolarHBondContact O-N 3.36Å; F707-H709 PolarHBondContact O-N 2.97Å; F707-H709 VanDerWaalsContact O-N 3.11Å; H709-P712 WeakPolarHBondContact O-CD 3.37Å
710V98.1Very high97.9Very high0 Ų035.1 Ų35.10%019%0.193CC..Hα-helixtrans-78.4-37.7178.8-175.50000111.8L677 L699 L702 F707 P712 C713 I714 F717L677-V710 HydrophobicContact CD2-CG2 4.27Å; L699-V710 HydrophobicContact CD1-CG1 3.58Å; L702-V710 HydrophobicContact CB-CG2 3.91Å; F707-V710 HydrophobicContact CD2-CB 4.3Å; F707-V710 PolarHBondContact O-N 2.86Å; V710-P712 VanDerWaalsContact C-CD 3.41Å; V710-P712 VanDerWaalsContact C-N 3.33Å; V710-P712 VanDerWaalsContact O-N 3.15Å; V710-C713 WeakPolarHBondContact O-CA 3.36Å; V710-C713 WeakPolarHBondContact O-CB 3.49Å; V710-C713 PolarHBondContact O-N 3.33Å; V710-I714 HydrophobicContact CG1-CD1 3.82Å; V710-I714 PolarHBondContact O-N 3.1Å; V710-F717 HydrophobicContact CG1-CE2 4.49Å
711K98.2Very high98Very high83 Ų8335.1 Ų35.136%0.36119%0.193SC..G310 helixtrans-47.4-45.1-175.7-177172.4-175.2165.90113.8F707 C713 I714 E750F707-K711 HydrophobicContact CD1-CB 4.31Å; F707-K711 HydrophobicContact CD2-CB 4.48Å; F707-K711 HydrophobicContact CE1-CB 3.92Å; F707-K711 HydrophobicContact CE1-CD 3.86Å; F707-K711 HydrophobicContact CE1-CG 4.08Å; F707-K711 HydrophobicContact CE2-CB 4.1Å; F707-K711 HydrophobicContact CZ-CB 3.8Å; F707-K711 HydrophobicContact CZ-CD 4.21Å; F707-K711 HydrophobicContact CZ-CG 3.96Å; F707-K711 WeakPolarHBondContact O-CB 3.44Å; F707-K711 PolarHBondContact O-N 2.89Å; K711-C713 PolarHBondContact O-N 2.98Å; K711-I714 WeakPolarHBondContact O-CG1 3.42Å; K711-I714 PolarHBondContact O-N 2.65Å; K711-E750 WeakPolarHBondContact CE-OE2 3.42Å; K711-E750 VanDerWaalsContact NZ-CD 3.3Å; K711-E750 IonicContact NZ-OE1 3.64Å; K711-E750 PolarHBondContact NZ-OE1 3.28Å; K711-E750 IonicContact NZ-OE2 3.61Å; K711-E750 PolarHBondContact NZ-OE2 2.97Å; K711-E750 VanDerWaalsContact NZ-OE2 3.13Å
712P97.9Very high97.9Very high98 Ų9834.8 Ų34.864%0.63619%0.192SC*.G310 helixtrans-61.2-22.8177.4-23.835.7000115Q708 H709 V710Q708-P712 WeakPolarHBondContact O-CD 3.33Å; H709-P712 WeakPolarHBondContact O-CD 3.37Å; V710-P712 VanDerWaalsContact C-CD 3.41Å; V710-P712 VanDerWaalsContact C-N 3.33Å; V710-P712 VanDerWaalsContact O-N 3.15Å
713C98.1Very high97.9Very high28 Ų2839.7 Ų39.719%0.18922%0.222CC..G310 helixtrans-95.7-9.8-176.4-57.50000113.7V710 K711 A715 D716 F717V710-C713 WeakPolarHBondContact O-CA 3.36Å; V710-C713 WeakPolarHBondContact O-CB 3.49Å; V710-C713 PolarHBondContact O-N 3.33Å; K711-C713 PolarHBondContact O-N 2.98Å; C713-A715 PolarHBondContact O-N 3.09Å; C713-D716 PolarHBondContact O-N 2.91Å; C713-F717 HydrophobicContact CB-CD1 4.33Å; C713-F717 HydrophobicContact CB-CD2 3.87Å; C713-F717 HydrophobicContact CB-CE1 3.92Å; C713-F717 HydrophobicContact CB-CE2 3.42Å; C713-F717 VanDerWaalsContact CB-CE2 3.42Å; C713-F717 HydrophobicContact CB-CG 4.32Å; C713-F717 HydrophobicContact CB-CZ 3.47Å; C713-F717 VanDerWaalsContact CB-CZ 3.47Å; C713-F717 WeakPolarHBondContact O-CG 3.44Å; C713-F717 PolarHBondContact O-N 3.26Å
714I97.8Very high97.9Very high2 Ų240.2 Ų40.21%0.0122%0.224CC..Hα-helixtrans-56.9-36.5-173.4-66.9-61.4000113F707 V710 K711 D716 F717 M718 I743 M747 Y754F707-I714 HydrophobicContact CE2-CD1 4.34Å; F707-I714 HydrophobicContact CE2-CG1 4.29Å; V710-I714 HydrophobicContact CG1-CD1 3.82Å; V710-I714 PolarHBondContact O-N 3.1Å; K711-I714 WeakPolarHBondContact O-CG1 3.42Å; K711-I714 PolarHBondContact O-N 2.65Å; I714-D716 PolarHBondContact O-N 3.1Å; I714-F717 PolarHBondContact O-N 3.38Å; I714-M718 HydrophobicContact CG2-CG 3.73Å; I714-M718 WeakPolarHBondContact O-CB 3.02Å; I714-M718 WeakPolarHBondContact O-CG 3.29Å; I714-M718 PolarHBondContact O-N 3.06Å; I714-I743 HydrophobicContact CD1-CB 4.47Å; I714-I743 HydrophobicContact CD1-CD1 3.82Å; I714-I743 HydrophobicContact CD1-CG1 3.81Å; I714-I743 HydrophobicContact CD1-CG2 3.81Å; I714-I743 HydrophobicContact CG2-CG2 4.27Å; I714-M747 HydrophobicContact CG1-SD 4.45Å; I714-M747 HydrophobicContact CG2-CE 4.11Å; I714-M747 HydrophobicContact CG2-SD 4.22Å; I714-Y754 HydrophobicContact CG2-CE2 4.16Å
715A97.7Very high98Very high57 Ų5735.4 Ų35.447%0.47120%0.204SC..Hα-helixtrans-61.8-32178.600000112.9C713 P719 Y754C713-A715 PolarHBondContact O-N 3.09Å; A715-P719 VanDerWaalsContact O-CD 3.28Å; A715-P719 WeakPolarHBondContact O-CD 3.28Å; A715-Y754 WeakPolarHBondContact CA-OH 3.47Å
716D98Very high97.9Very high90 Ų9036.9 Ų36.948%0.48121%0.21SC..Hα-helixtrans-86.2-32.7177.5-61.3-38.9000111.5Y681 C713 I714Y681-D716 HydrophobicContact CD2-CB 4.27Å; Y681-D716 HydrophobicContact CE2-CB 3.75Å; C713-D716 PolarHBondContact O-N 2.91Å; I714-D716 PolarHBondContact O-N 3.1Å
717F98.4Very high97.6Very high3 Ų337.7 Ų37.71%0.01322%0.215CC..Hα-helixtrans-79.7-40.3-175.2-68.2-4.4000113.9M680 Y681 M684 L699 V710 C713 I714 I720 L721M680-F717 HydrophobicContact CE-CD2 4.25Å; M680-F717 HydrophobicContact CE-CE2 3.32Å; M680-F717 HydrophobicContact CE-CZ 3.61Å; Y681-F717 AromaticContact CD2-CD1 3.81Å; Y681-F717 HydrophobicContact CD2-CD1 3.81Å; Y681-F717 AromaticContact CD2-CE1 3.65Å; Y681-F717 HydrophobicContact CD2-CE1 3.65Å; Y681-F717 HydrophobicContact CG-CE1 4.13Å; M684-F717 HydrophobicContact CE-CB 3.9Å; M684-F717 HydrophobicContact CE-CD1 4.17Å; M684-F717 HydrophobicContact CE-CG 4Å; M684-F717 HydrophobicContact SD-CD1 3.81Å; M684-F717 HydrophobicContact SD-CD2 4.4Å; M684-F717 HydrophobicContact SD-CE1 4.05Å; M684-F717 HydrophobicContact SD-CG 4Å; M684-F717 HydrophobicContact SD-CZ 4.42Å; L699-F717 HydrophobicContact CD1-CD2 3.53Å; L699-F717 HydrophobicContact CD1-CE2 3.76Å; L699-F717 HydrophobicContact CD2-CB 4.28Å; L699-F717 HydrophobicContact CD2-CD2 3.93Å; L699-F717 HydrophobicContact CD2-CG 4.36Å; L699-F717 HydrophobicContact CG-CD2 4.42Å; V710-F717 HydrophobicContact CG1-CE2 4.49Å; C713-F717 HydrophobicContact CB-CD1 4.33Å; C713-F717 HydrophobicContact CB-CD2 3.87Å; C713-F717 HydrophobicContact CB-CE1 3.92Å; C713-F717 HydrophobicContact CB-CE2 3.42Å; C713-F717 VanDerWaalsContact CB-CE2 3.42Å; C713-F717 HydrophobicContact CB-CG 4.32Å; C713-F717 HydrophobicContact CB-CZ 3.47Å; C713-F717 VanDerWaalsContact CB-CZ 3.47Å; C713-F717 WeakPolarHBondContact O-CG 3.44Å; C713-F717 PolarHBondContact O-N 3.26Å; I714-F717 PolarHBondContact O-N 3.38Å; F717-I720 WeakPolarHBondContact O-CB 3.37Å; F717-I720 PolarHBondContact O-N 3.36Å; F717-I720 VanDerWaalsContact O-N 3.08Å; F717-L721 PolarHBondContact O-N 3.36Å
718M98.3Very high97.3Very high0 Ų043.4 Ų43.40%024%0.242CC..Hα-helixtrans-59.3-42.7-175.8-77.9-58.2-49.700114.4I714 I720 L721 G722 I740 I743 M751 Y754 V758I714-M718 HydrophobicContact CG2-CG 3.73Å; I714-M718 WeakPolarHBondContact O-CB 3.02Å; I714-M718 WeakPolarHBondContact O-CG 3.29Å; I714-M718 PolarHBondContact O-N 3.06Å; M718-I720 VanDerWaalsContact C-N 3.27Å; M718-I720 PolarHBondContact O-N 3.21Å; M718-L721 PolarHBondContact O-N 3.35Å; M718-L721 HydrophobicContact SD-CD1 4Å; M718-G722 PolarHBondContact O-N 3.5Å; M718-I740 HydrophobicContact CE-CG1 4.12Å; M718-I740 HydrophobicContact CE-CG2 4.4Å; M718-I743 HydrophobicContact SD-CD1 4.07Å; M718-I743 HydrophobicContact SD-CG2 4.09Å; M718-M751 HydrophobicContact CE-CE 3.26Å; M718-M751 HydrophobicContact CG-CE 4.06Å; M718-M751 HydrophobicContact SD-CE 3.42Å; M718-M751 WeakPolarHBondContact SD-CE 3.35Å; M718-Y754 HydrophobicContact CB-CD1 3.45Å; M718-Y754 VanDerWaalsContact CB-CD1 3.45Å; M718-Y754 HydrophobicContact CB-CE1 3.73Å; M718-Y754 HydrophobicContact CB-CG 4.1Å; M718-Y754 HydrophobicContact CG-CD1 3.77Å; M718-Y754 HydrophobicContact CG-CD2 4.37Å; M718-Y754 HydrophobicContact CG-CE1 4.02Å; M718-Y754 HydrophobicContact CG-CG 3.96Å; M718-V758 HydrophobicContact CE-CG1 3.64Å
719P98.2Very high97.1Very high54 Ų5443.1 Ų43.135%0.35124%0.239SC..Hα-helixtrans-55.5-41.5172.6-26.435.5000113.3A715 T723 M757A715-P719 VanDerWaalsContact O-CD 3.28Å; A715-P719 WeakPolarHBondContact O-CD 3.28Å; P719-T723 WeakPolarHBondContact O-CG2 2.97Å; P719-T723 PolarHBondContact O-N 3.28Å; P719-T723 VanDerWaalsContact O-N 3.09Å; P719-T723 PolarHBondContact O-OG1 2.83Å; P719-M757 VanDerWaalsContact CA-SD 3.55Å; P719-M757 HydrophobicContact CB-CE 4.35Å; P719-M757 HydrophobicContact CB-SD 4.48Å; P719-M757 HydrophobicContact CG-CE 4.2Å
720I98.5Very high97Very high18 Ų1844 Ų449%0.09225%0.245CC..Hα-helixtrans-68.1-47.2-179.5-58.8165.4000110.1Y681 M684 Q685 F696 F717 M718 G722 T723 N724Y681-I720 HydrophobicContact CD2-CD1 3.84Å; Y681-I720 HydrophobicContact CE2-CD1 3.5Å; M684-I720 HydrophobicContact CB-CD1 4.3Å; M684-I720 HydrophobicContact CB-CG2 4.02Å; M684-I720 HydrophobicContact CE-CB 4.21Å; M684-I720 HydrophobicContact CE-CG2 4.28Å; M684-I720 VanDerWaalsContact O-CG2 3.27Å; M684-I720 WeakPolarHBondContact O-CG2 3.47Å; Q685-I720 HydrophobicContact CG-CD1 3.67Å; Q685-I720 HydrophobicContact CG-CG1 4.28Å; F696-I720 HydrophobicContact CE1-CG2 4.24Å; F696-I720 HydrophobicContact CZ-CG2 4.22Å; F717-I720 WeakPolarHBondContact O-CB 3.37Å; F717-I720 PolarHBondContact O-N 3.36Å; F717-I720 VanDerWaalsContact O-N 3.08Å; M718-I720 VanDerWaalsContact C-N 3.27Å; M718-I720 PolarHBondContact O-N 3.21Å; I720-G722 VanDerWaalsContact C-N 3.34Å; I720-G722 PolarHBondContact O-N 2.97Å; I720-T723 PolarHBondContact O-N 3.41Å; I720-T723 VanDerWaalsContact O-N 3.14Å; I720-T723 PolarHBondContact O-OG1 3.15Å; I720-N724 PolarHBondContact O-N 2.92Å; I720-N724 VanDerWaalsContact O-N 3.15Å; I720-N724 PolarHBondContact O-ND2 2.9Å
721L98.5Very high96.8Very high0 Ų044.9 Ų44.90%025%0.251CS..Hα-helixtrans-57.1-46.5176.7-70.3170.2000111.7M684 F696 L699 F717 M718 T723 N724 L725 A736 A739 I740 I743M684-L721 HydrophobicContact CE-CD2 4.32Å; M684-L721 HydrophobicContact CE-CG 4.16Å; F696-L721 HydrophobicContact CB-CD2 4.49Å; F696-L721 HydrophobicContact CD1-CD2 3.59Å; F696-L721 HydrophobicContact CE1-CD2 3.9Å; F696-L721 HydrophobicContact CG-CD2 3.97Å; L699-L721 HydrophobicContact CD2-CD1 3.85Å; L699-L721 HydrophobicContact CD2-CD2 4.23Å; L699-L721 HydrophobicContact CD2-CG 4.32Å; F717-L721 PolarHBondContact O-N 3.36Å; M718-L721 PolarHBondContact O-N 3.35Å; M718-L721 HydrophobicContact SD-CD1 4Å; L721-T723 VanDerWaalsContact C-N 3.33Å; L721-T723 PolarHBondContact O-N 2.87Å; L721-N724 CarbonylContact O-C 3.41Å; L721-N724 WeakPolarHBondContact O-CA 3.22Å; L721-N724 PolarHBondContact O-N 3.11Å; L721-L725 PolarHBondContact O-N 3.36Å; L721-A736 HydrophobicContact CD2-CB 4.03Å; L721-A739 HydrophobicContact CD1-CB 4.42Å; L721-A739 HydrophobicContact CD2-CB 4.06Å; L721-I740 HydrophobicContact CB-CD1 3.96Å; L721-I740 HydrophobicContact CB-CG1 3.86Å; L721-I740 HydrophobicContact CD1-CG1 3.96Å; L721-I740 HydrophobicContact CG-CG1 4.42Å; L721-I743 HydrophobicContact CD1-CD1 3.61Å
722G97.9Very high96.7Very high2 Ų241.1 Ų41.12%0.02124%0.235CC..Hα-helixtrans-58.8-41.2175.700000112.6M718 I720 N724 L725 Q761M718-G722 PolarHBondContact O-N 3.5Å; I720-G722 VanDerWaalsContact C-N 3.34Å; I720-G722 PolarHBondContact O-N 2.97Å; G722-N724 PolarHBondContact O-N 3.47Å; G722-L725 PolarHBondContact O-N 2.93Å; G722-Q761 PolarHBondContact O-NE2 3.12Å; G722-Q761 PolarHBondContact O-OE1 2.91Å
723T97.2Very high96.7Very high103 Ų10336.4 Ų36.463%0.63221%0.205SC*.Hα-helixtrans-67.8-18.9175.5580000114.2P719 I720 L721P719-T723 WeakPolarHBondContact O-CG2 2.97Å; P719-T723 PolarHBondContact O-N 3.28Å; P719-T723 VanDerWaalsContact O-N 3.09Å; P719-T723 PolarHBondContact O-OG1 2.83Å; I720-T723 PolarHBondContact O-N 3.41Å; I720-T723 VanDerWaalsContact O-N 3.14Å; I720-T723 PolarHBondContact O-OG1 3.15Å; L721-T723 VanDerWaalsContact C-N 3.33Å; L721-T723 PolarHBondContact O-N 2.87Å
724N98.1Very high96.7Very high11 Ų1135.1 Ų35.16%0.05920%0.196CC..THydrogen-bonded Turntrans-98.12.9179.8-75.3-86.8000113.8R692 F696 I720 L721 G722 N726 V732 C733 A736R692-N724 PolarHBondContact NH1-OD1 3.18Å; F696-N724 HydrophobicContact CE2-CB 3.58Å; F696-N724 HydrophobicContact CZ-CB 3.87Å; I720-N724 PolarHBondContact O-N 2.92Å; I720-N724 VanDerWaalsContact O-N 3.15Å; I720-N724 PolarHBondContact O-ND2 2.9Å; L721-N724 CarbonylContact O-C 3.41Å; L721-N724 WeakPolarHBondContact O-CA 3.22Å; L721-N724 PolarHBondContact O-N 3.11Å; G722-N724 PolarHBondContact O-N 3.47Å; N724-N726 PolarHBondContact O-N 3.37Å; N724-V732 HydrophobicContact CB-CG1 4.25Å; N724-C733 WeakPolarHBondContact O-CA 3.5Å; N724-A736 HydrophobicContact CB-CB 4.12Å
725L98.2Very high96.7Very high9 Ų935 Ų355%0.04720%0.195CC..  trans-72.657.3163.7-67.1-178.7000110.5L721 G722 A736 T737 I740 V758 Q761 L762 I765L721-L725 PolarHBondContact O-N 3.36Å; G722-L725 PolarHBondContact O-N 2.93Å; L725-A736 HydrophobicContact CD2-CB 4.46Å; L725-T737 WeakPolarHBondContact CD2-OG1 3.02Å; L725-I740 HydrophobicContact CD1-CD1 3.74Å; L725-I740 HydrophobicContact CD2-CD1 3.92Å; L725-I740 HydrophobicContact CG-CD1 3.94Å; L725-V758 HydrophobicContact CD1-CB 3.95Å; L725-V758 HydrophobicContact CD1-CG1 4.24Å; L725-Q761 HydrophobicContact CB-CB 3.85Å; L725-Q761 HydrophobicContact CB-CG 4.49Å; L725-Q761 HydrophobicContact CD1-CB 3.94Å; L725-L762 HydrophobicContact CD1-CD2 3.96Å; L725-L762 HydrophobicContact CD1-CG 3.89Å; L725-L762 HydrophobicContact CD2-CD2 3.96Å; L725-I765 HydrophobicContact CB-CD1 3.99Å; L725-I765 HydrophobicContact CD2-CD1 4.27Å
726N95.3Very high96.7Very high48 Ų4832.3 Ų32.326%0.25717%0.173SC..  trans-115.5105179.7-177.51.6000110N724 E728 F729 C733N724-N726 PolarHBondContact O-N 3.37Å; N726-E728 PolarHBondContact ND2-OE2 2.93Å; N726-E728 PolarHBondContact O-N 3Å; N726-E728 WeakPolarHBondContact OD1-CB 3.36Å; N726-E728 WeakPolarHBondContact OD1-CG 3.42Å; N726-E728 PolarHBondContact OD1-N 3.38Å; N726-F729 PolarHBondContact O-N 3.3Å; N726-C733 WeakPolarHBondContact O-CB 3.17Å
727P91.7Very high96.7Very high18 Ų1828 Ų2812%0.11715%0.15CC..THydrogen-bonded Turntrans-66.80.3179.118.2-22.7000115.3F729 I765 R768 L775P727-F729 VanDerWaalsContact C-N 3.29Å; P727-I765 HydrophobicContact CB-CG1 4.43Å; P727-I765 HydrophobicContact CG-CG1 3.83Å; P727-R768 VanDerWaalsContact CB-NH1 3.34Å; P727-R768 VanDerWaalsContact CG-NH1 3.27Å; P727-L775 HydrophobicContact CB-CD2 4.49Å
728E91.7Very high96.7Very high142 Ų14229.2 Ų29.266%0.66415%0.154SC*.THydrogen-bonded Turntrans-70.6-24.7164.1-63.5175.315000112.9N726N726-E728 PolarHBondContact ND2-OE2 2.93Å; N726-E728 PolarHBondContact O-N 3Å; N726-E728 WeakPolarHBondContact OD1-CB 3.36Å; N726-E728 WeakPolarHBondContact OD1-CG 3.42Å; N726-E728 PolarHBondContact OD1-N 3.38Å
729F94.2Very high96.7Very high89 Ų8929.2 Ų29.239%0.3915%0.154SC..SBendtrans-115.778.1174-60.9-82.6000108.4P689 N726 P727 S731 V732 C733P689-F729 HydrophobicContact CB-CD1 3.97Å; P689-F729 HydrophobicContact CB-CE1 4.4Å; P689-F729 HydrophobicContact CG-CD1 3.74Å; P689-F729 HydrophobicContact CG-CE1 3.65Å; N726-F729 PolarHBondContact O-N 3.3Å; P727-F729 VanDerWaalsContact C-N 3.29Å; F729-S731 PolarHBondContact O-N 2.9Å; F729-V732 HydrophobicContact CB-CB 3.99Å; F729-V732 HydrophobicContact CB-CG2 4.02Å; F729-V732 PolarHBondContact O-N 3.45Å; F729-C733 WeakPolarHBondContact O-CB 3.32Å; F729-C733 PolarHBondContact O-N 2.98Å
730I94Very high96.7Very high69 Ų6926.6 Ų26.635%0.35414%0.138SC..Hα-helixtrans-51.4-53.8-168-69.1165.1000112V732 C733 N734 P772I730-V732 PolarHBondContact O-N 3.28Å; I730-C733 WeakPolarHBondContact O-CB 3.33Å; I730-C733 PolarHBondContact O-N 2.92Å; I730-N734 WeakPolarHBondContact O-CB 3.5Å; I730-N734 PolarHBondContact O-N 2.72Å; I730-P772 HydrophobicContact CD1-CG 3.9Å; I730-P772 HydrophobicContact CG1-CG 4.41Å; I730-P772 HydrophobicContact CG2-CG 3.84Å
731S94.3Very high96.7Very high18 Ų1825.8 Ų25.813%0.12613%0.133CC..Hα-helixtrans-67.6-39.3-174.2-43.60000112.4Q693 F729 N734 N735Q693-S731 VanDerWaalsContact OE1-CB 3.29Å; F729-S731 PolarHBondContact O-N 2.9Å; S731-N734 PolarHBondContact O-N 3.26Å; S731-N735 PolarHBondContact O-N 3.2Å; S731-N735 VanDerWaalsContact O-N 3.12Å
732V96.7Very high96.7Very high4 Ų426.1 Ų26.12%0.02414%0.135CC..Hα-helixtrans-63.5-46.9172.9-174.40000111.2P689 R692 Q693 F696 N724 F729 I730 N734 N735 A736P689-V732 HydrophobicContact CB-CG2 3.69Å; P689-V732 VanDerWaalsContact O-CG2 3.27Å; P689-V732 WeakPolarHBondContact O-CG2 3.44Å; R692-V732 HydrophobicContact CB-CG1 4.09Å; Q693-V732 HydrophobicContact CB-CG2 4.11Å; F696-V732 HydrophobicContact CD2-CG1 3.97Å; F696-V732 HydrophobicContact CE2-CG1 3.55Å; N724-V732 HydrophobicContact CB-CG1 4.25Å; F729-V732 HydrophobicContact CB-CB 3.99Å; F729-V732 HydrophobicContact CB-CG2 4.02Å; F729-V732 PolarHBondContact O-N 3.45Å; I730-V732 PolarHBondContact O-N 3.28Å; V732-N734 VanDerWaalsContact C-N 3.29Å; V732-N734 PolarHBondContact O-N 3.49Å; V732-N735 PolarHBondContact O-N 2.69Å; V732-A736 WeakPolarHBondContact O-CB 3.42Å; V732-A736 PolarHBondContact O-N 2.99Å
733C97.9Very high96.7Very high0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-61.9-39.6179.2-174.50000111.3N724 N726 F729 I730 T737N724-C733 WeakPolarHBondContact O-CA 3.5Å; N726-C733 WeakPolarHBondContact O-CB 3.17Å; F729-C733 WeakPolarHBondContact O-CB 3.32Å; F729-C733 PolarHBondContact O-N 2.98Å; I730-C733 WeakPolarHBondContact O-CB 3.33Å; I730-C733 PolarHBondContact O-N 2.92Å; C733-T737 VanDerWaalsContact O-CB 3.28Å; C733-T737 WeakPolarHBondContact O-CB 3.42Å; C733-T737 PolarHBondContact O-N 3.12Å; C733-T737 PolarHBondContact O-OG1 2.95Å
734N97.7Very high96.7Very high1 Ų121.1 Ų21.11%0.00510%0.104CC..Hα-helixtrans-63.1-52177.6-169.932.1000111.6T352 V353 I730 S731 V732 A736 T737 W738 L775 N778T352-N734 HydrophobicContact CG2-CB 4.38Å; T352-N734 WeakPolarHBondContact CG2-ND2 3.3Å; V353-N734 PolarHBondContact O-ND2 3.35Å; V353-N734 VanDerWaalsContact O-ND2 3.1Å; I730-N734 WeakPolarHBondContact O-CB 3.5Å; I730-N734 PolarHBondContact O-N 2.72Å; S731-N734 PolarHBondContact O-N 3.26Å; V732-N734 VanDerWaalsContact C-N 3.29Å; V732-N734 PolarHBondContact O-N 3.49Å; N734-A736 PolarHBondContact O-N 2.97Å; N734-T737 WeakPolarHBondContact O-CB 3.4Å; N734-T737 PolarHBondContact O-N 3.04Å; N734-W738 PolarHBondContact O-N 3.45Å; N734-L775 HydrophobicContact CB-CD1 4.08Å; N734-N778 WeakPolarHBondContact OD1-CB 3.31Å; N734-N778 PolarHBondContact OD1-ND2 3.02Å
735N97.8Very high96.7Very high0 Ų023.3 Ų23.30%012%0.115CC..Hα-helixtrans-66.3-36178.8-70.84.7000112.2V353 Q693 F696 S731 V732 W738 A739V353-N735 WeakPolarHBondContact CB-OD1 3.19Å; V353-N735 PolarHBondContact N-OD1 2.8Å; Q693-N735 VanDerWaalsContact CG-ND2 3.28Å; Q693-N735 WeakPolarHBondContact CG-ND2 3.41Å; Q693-N735 PolarHBondContact O-ND2 3.33Å; F696-N735 HydrophobicContact CB-CB 3.84Å; S731-N735 PolarHBondContact O-N 3.2Å; S731-N735 VanDerWaalsContact O-N 3.12Å; V732-N735 PolarHBondContact O-N 2.69Å; N735-W738 PolarHBondContact O-N 3.4Å; N735-A739 WeakPolarHBondContact O-CB 3.28Å; N735-A739 PolarHBondContact O-N 3.03Å
736A98.4Very high96.7Very high0 Ų026.7 Ų26.70%013%0.131CC..Hα-helixtrans-62.7-43.4173.500000111.8F696 L721 N724 L725 V732 N734 A739 I740F696-A736 HydrophobicContact CD2-CB 3.77Å; F696-A736 HydrophobicContact CE2-CB 4.06Å; F696-A736 HydrophobicContact CG-CB 4.37Å; L721-A736 HydrophobicContact CD2-CB 4.03Å; N724-A736 HydrophobicContact CB-CB 4.12Å; L725-A736 HydrophobicContact CD2-CB 4.46Å; V732-A736 WeakPolarHBondContact O-CB 3.42Å; V732-A736 PolarHBondContact O-N 2.99Å; N734-A736 PolarHBondContact O-N 2.97Å; A736-A739 PolarHBondContact O-N 3.47Å; A736-I740 WeakPolarHBondContact O-CD1 3.17Å; A736-I740 VanDerWaalsContact O-CG1 3.26Å; A736-I740 WeakPolarHBondContact O-CG1 3.46Å; A736-I740 PolarHBondContact O-N 3.39Å
737T98.6Very high96.8Very high0 Ų025.2 Ų25.20%012%0.122CC..Hα-helixtrans-60.1-50176.3-63.80000110.9L725 C733 N734 A739 I740 G741 L762 N778 T782L725-T737 WeakPolarHBondContact CD2-OG1 3.02Å; C733-T737 VanDerWaalsContact O-CB 3.28Å; C733-T737 WeakPolarHBondContact O-CB 3.42Å; C733-T737 PolarHBondContact O-N 3.12Å; C733-T737 PolarHBondContact O-OG1 2.95Å; N734-T737 WeakPolarHBondContact O-CB 3.4Å; N734-T737 PolarHBondContact O-N 3.04Å; T737-A739 PolarHBondContact O-N 3.07Å; T737-I740 PolarHBondContact O-N 3.41Å; T737-G741 PolarHBondContact O-N 3.07Å; T737-L762 HydrophobicContact CG2-CD2 3.84Å; T737-N778 HydrophobicContact CG2-CB 4.29Å; T737-N778 WeakPolarHBondContact CG2-O 3.27Å; T737-T782 HydrophobicContact CG2-CG2 4.34Å; T737-T782 WeakPolarHBondContact CG2-OG1 3.46Å; T737-T782 PolarHBondContact O-OG1 3.25Å; T737-T782 VanDerWaalsContact O-OG1 3.04Å
738W97.3Very high97Very high27 Ų2725.3 Ų25.310%0.10213%0.126CC..Hα-helixtrans-60.4-44.4178.7172.988.9000112.3V353 A697 G700 D701 N734 N735 I740 G741 E742V353-W738 HydrophobicContact CG1-CD2 4.15Å; V353-W738 HydrophobicContact CG1-CG 4.3Å; V353-W738 HydrophobicContact CG1-CZ2 4.4Å; A697-W738 WeakPolarHBondContact O-CH2 3.26Å; A697-W738 WeakPolarHBondContact O-CZ3 3.07Å; G700-W738 VanDerWaalsContact CA-CH2 3.49Å; D701-W738 HydrophobicContact CB-CH2 4.21Å; D701-W738 VanDerWaalsContact OD1-CH2 3.25Å; D701-W738 WeakPolarHBondContact OD1-CH2 3.28Å; N734-W738 PolarHBondContact O-N 3.45Å; N735-W738 PolarHBondContact O-N 3.4Å; W738-I740 PolarHBondContact O-N 2.82Å; W738-G741 WeakPolarHBondContact O-CA 3.34Å; W738-G741 PolarHBondContact O-N 3.27Å; W738-E742 HydrophobicContact CD2-CG 4.47Å; W738-E742 HydrophobicContact CZ2-CG 4.2Å; W738-E742 PolarHBondContact O-N 2.92Å
739A98.4Very high97.3Very high0 Ų023.8 Ų23.80%012%0.122CC..Hα-helixtrans-60.6-41.517600000112.5L699 L721 N735 A736 T737 G741 E742 I743L699-A739 HydrophobicContact CD2-CB 4.45Å; L699-A739 HydrophobicContact CG-CB 4.42Å; L721-A739 HydrophobicContact CD1-CB 4.42Å; L721-A739 HydrophobicContact CD2-CB 4.06Å; N735-A739 WeakPolarHBondContact O-CB 3.28Å; N735-A739 PolarHBondContact O-N 3.03Å; A736-A739 PolarHBondContact O-N 3.47Å; T737-A739 PolarHBondContact O-N 3.07Å; A739-G741 VanDerWaalsContact C-N 3.29Å; A739-G741 PolarHBondContact O-N 3.48Å; A739-E742 PolarHBondContact O-N 3.02Å; A739-I743 WeakPolarHBondContact O-CB 3.44Å; A739-I743 WeakPolarHBondContact O-CD1 3.48Å; A739-I743 WeakPolarHBondContact O-CG1 3.25Å; A739-I743 PolarHBondContact O-N 2.75Å
740I98.7Very high97.5Very high0 Ų024.4 Ų24.40%013%0.126CC..Hα-helixtrans-60.4-41.2173.5-67.9162.9000110.6M718 L721 L725 A736 T737 W738 I743 S744 V758 T782M718-I740 HydrophobicContact CE-CG1 4.12Å; M718-I740 HydrophobicContact CE-CG2 4.4Å; L721-I740 HydrophobicContact CB-CD1 3.96Å; L721-I740 HydrophobicContact CB-CG1 3.86Å; L721-I740 HydrophobicContact CD1-CG1 3.96Å; L721-I740 HydrophobicContact CG-CG1 4.42Å; L725-I740 HydrophobicContact CD1-CD1 3.74Å; L725-I740 HydrophobicContact CD2-CD1 3.92Å; L725-I740 HydrophobicContact CG-CD1 3.94Å; A736-I740 WeakPolarHBondContact O-CD1 3.17Å; A736-I740 VanDerWaalsContact O-CG1 3.26Å; A736-I740 WeakPolarHBondContact O-CG1 3.46Å; A736-I740 PolarHBondContact O-N 3.39Å; T737-I740 PolarHBondContact O-N 3.41Å; W738-I740 PolarHBondContact O-N 2.82Å; I740-I743 PolarHBondContact O-N 3.12Å; I740-S744 WeakPolarHBondContact O-CB 3.46Å; I740-S744 PolarHBondContact O-N 2.92Å; I740-S744 PolarHBondContact O-OG 3.35Å; I740-V758 HydrophobicContact CD1-CB 4.31Å; I740-V758 HydrophobicContact CD1-CG1 3.81Å; I740-V758 HydrophobicContact CG1-CG1 4.47Å; I740-V758 HydrophobicContact CG2-CG2 4.29Å; I740-T782 HydrophobicContact CB-CG2 4.15Å; I740-T782 HydrophobicContact CG2-CG2 3.78Å
741G98.1Very high97.7Very high0 Ų021.1 Ų21.10%011%0.109CC..Hα-helixtrans-58.8-48.5176.700000112.8T737 W738 A739 S744 I745 R785T737-G741 PolarHBondContact O-N 3.07Å; W738-G741 WeakPolarHBondContact O-CA 3.34Å; W738-G741 PolarHBondContact O-N 3.27Å; A739-G741 VanDerWaalsContact C-N 3.29Å; A739-G741 PolarHBondContact O-N 3.48Å; G741-S744 WeakPolarHBondContact O-CB 3.35Å; G741-S744 PolarHBondContact O-N 3.35Å; G741-I745 PolarHBondContact O-N 3.24Å; G741-R785 WeakPolarHBondContact O-CD 3.04Å
742E97.9Very high97.8Very high7 Ų724.9 Ų24.93%0.03313%0.125CC..Hα-helixtrans-64.1-44.9176.7-69.7-56.6136.300111.9T703 W738 A739 S744 I745 Q746 R785T703-E742 HydrophobicContact CG2-CB 3.96Å; W738-E742 HydrophobicContact CD2-CG 4.47Å; W738-E742 HydrophobicContact CZ2-CG 4.2Å; W738-E742 PolarHBondContact O-N 2.92Å; A739-E742 PolarHBondContact O-N 3.02Å; E742-S744 VanDerWaalsContact C-N 3.26Å; E742-S744 PolarHBondContact O-N 3.49Å; E742-I745 PolarHBondContact O-N 3.01Å; E742-Q746 PolarHBondContact O-N 2.8Å; E742-R785 IonicContact OE1-CZ 3.14Å; E742-R785 IonicContact OE1-NH1 2.7Å; E742-R785 PolarHBondContact OE1-NH1 3.08Å; E742-R785 IonicContact OE1-NH2 2.79Å; E742-R785 PolarHBondContact OE1-NH2 3.35Å
743I98.6Very high97.9Very high0 Ų029.2 Ų29.20%015%0.153CC..Hα-helixtrans-59.1-40.9176.6-69.6165.5000110.7L699 T703 I714 M718 L721 A739 I740 I745 Q746 M747 M751L699-I743 HydrophobicContact CD2-CD1 4.24Å; L699-I743 HydrophobicContact CG-CD1 4.45Å; T703-I743 HydrophobicContact CG2-CB 4.49Å; T703-I743 HydrophobicContact CG2-CG1 3.92Å; I714-I743 HydrophobicContact CD1-CB 4.47Å; I714-I743 HydrophobicContact CD1-CD1 3.82Å; I714-I743 HydrophobicContact CD1-CG1 3.81Å; I714-I743 HydrophobicContact CD1-CG2 3.81Å; I714-I743 HydrophobicContact CG2-CG2 4.27Å; M718-I743 HydrophobicContact SD-CD1 4.07Å; M718-I743 HydrophobicContact SD-CG2 4.09Å; L721-I743 HydrophobicContact CD1-CD1 3.61Å; A739-I743 WeakPolarHBondContact O-CB 3.44Å; A739-I743 WeakPolarHBondContact O-CD1 3.48Å; A739-I743 WeakPolarHBondContact O-CG1 3.25Å; A739-I743 PolarHBondContact O-N 2.75Å; I740-I743 PolarHBondContact O-N 3.12Å; I743-I745 PolarHBondContact O-N 2.94Å; I743-Q746 PolarHBondContact O-N 2.86Å; I743-M747 HydrophobicContact CG2-CG 3.79Å; I743-M747 VanDerWaalsContact O-CB 3.29Å; I743-M747 WeakPolarHBondContact O-CB 3.43Å; I743-M747 VanDerWaalsContact O-CG 3.32Å; I743-M747 WeakPolarHBondContact O-CG 3.19Å; I743-M747 PolarHBondContact O-N 3.1Å; I743-M751 HydrophobicContact CG2-CE 4.12Å; I743-M751 HydrophobicContact CG2-SD 3.89Å
744S98.3Very high97.9Very high0 Ų031.4 Ų31.40%016%0.161CC..Hα-helixtrans-60.1-45-178-61.60000111.9I740 G741 E742 G748 L786 V789I740-S744 WeakPolarHBondContact O-CB 3.46Å; I740-S744 PolarHBondContact O-N 2.92Å; I740-S744 PolarHBondContact O-OG 3.35Å; G741-S744 WeakPolarHBondContact O-CB 3.35Å; G741-S744 PolarHBondContact O-N 3.35Å; E742-S744 VanDerWaalsContact C-N 3.26Å; E742-S744 PolarHBondContact O-N 3.49Å; S744-G748 PolarHBondContact O-N 2.84Å; S744-G748 VanDerWaalsContact O-N 3.1Å; S744-L786 WeakPolarHBondContact OG-CD2 3.24Å; S744-V789 WeakPolarHBondContact O-CG1 3.4Å
745I97.5Very high97.9Very high58 Ų5831.5 Ų31.530%0.29716%0.162SC..Hα-helixtrans-64.2-42178.5-71.8-65.3000111.4G741 E742 I743 R785 Y788G741-I745 PolarHBondContact O-N 3.24Å; E742-I745 PolarHBondContact O-N 3.01Å; I743-I745 PolarHBondContact O-N 2.94Å; I745-R785 HydrophobicContact CD1-CB 4.16Å; I745-R785 HydrophobicContact CD1-CG 3.91Å; I745-R785 HydrophobicContact CG1-CB 4.18Å; I745-R785 HydrophobicContact CG1-CG 3.89Å; I745-Y788 HydrophobicContact CD1-CD1 3.92Å; I745-Y788 HydrophobicContact CD1-CE1 4.45Å
746Q97.4Very high97.8Very high80 Ų8035.4 Ų35.437%0.37419%0.187SC..Hα-helixtrans-74.7-34.4-178-65.5-64.4-20.300113.3T703 F707 E742 I743T703-Q746 HydrophobicContact CG2-CB 4.27Å; T703-Q746 HydrophobicContact CG2-CG 3.8Å; F707-Q746 HydrophobicContact CB-CB 4.35Å; F707-Q746 HydrophobicContact CB-CG 4.19Å; F707-Q746 HydrophobicContact CD1-CB 3.63Å; F707-Q746 HydrophobicContact CD1-CG 4.36Å; F707-Q746 HydrophobicContact CD2-CB 3.63Å; F707-Q746 HydrophobicContact CD2-CG 4.09Å; F707-Q746 HydrophobicContact CE1-CB 3.67Å; F707-Q746 WeakPolarHBondContact CE1-O 3.49Å; F707-Q746 HydrophobicContact CE2-CB 3.69Å; F707-Q746 HydrophobicContact CG-CB 3.6Å; F707-Q746 HydrophobicContact CG-CG 3.96Å; F707-Q746 HydrophobicContact CZ-CB 3.7Å; E742-Q746 PolarHBondContact O-N 2.8Å; I743-Q746 PolarHBondContact O-N 2.86Å
747M97.6Very high97.7Very high16 Ų1639 Ų398%0.07921%0.205CC..Hα-helixtrans-75.9-31.5178.4-76.7-74.7-73.900113.2F707 I714 I743 I749 E750 M751 Y754F707-M747 HydrophobicContact CE2-CG 4.46Å; F707-M747 HydrophobicContact CZ-CG 3.85Å; F707-M747 HydrophobicContact CZ-SD 3.8Å; I714-M747 HydrophobicContact CG1-SD 4.45Å; I714-M747 HydrophobicContact CG2-CE 4.11Å; I714-M747 HydrophobicContact CG2-SD 4.22Å; I743-M747 HydrophobicContact CG2-CG 3.79Å; I743-M747 VanDerWaalsContact O-CB 3.29Å; I743-M747 WeakPolarHBondContact O-CB 3.43Å; I743-M747 VanDerWaalsContact O-CG 3.32Å; I743-M747 WeakPolarHBondContact O-CG 3.19Å; I743-M747 PolarHBondContact O-N 3.1Å; M747-I749 PolarHBondContact O-N 3.28Å; M747-E750 HydrophobicContact CE-CB 3.55Å; M747-E750 WeakPolarHBondContact CE-O 3.36Å; M747-E750 WeakPolarHBondContact O-CB 3.49Å; M747-E750 PolarHBondContact O-N 3.2Å; M747-E750 HydrophobicContact SD-CB 4.3Å; M747-M751 HydrophobicContact CB-CB 4.11Å; M747-M751 HydrophobicContact CB-SD 3.95Å; M747-M751 HydrophobicContact CG-SD 3.97Å; M747-Y754 HydrophobicContact CE-CE2 3.92Å
748G97Very high97.7Very high20 Ų2039 Ų3921%0.20621%0.205CC..G310 helixtrans58.3-133.2-173.500000111.7S744 E750 M751S744-G748 PolarHBondContact O-N 2.84Å; S744-G748 VanDerWaalsContact O-N 3.1Å; G748-E750 PolarHBondContact O-N 3.01Å; G748-M751 VanDerWaalsContact O-CB 3.23Å; G748-M751 WeakPolarHBondContact O-CB 3.4Å; G748-M751 PolarHBondContact O-N 3.25Å
749I97.5Very high97.8Very high111 Ų11138 Ų3857%0.56920%0.201SC*.G310 helixtrans-64.2-20.6-178.4-164.959.8000113.5M747 M751 Q752M747-I749 PolarHBondContact O-N 3.28Å; I749-M751 PolarHBondContact O-N 3.01Å; I749-M751 VanDerWaalsContact O-N 3.08Å; I749-Q752 WeakPolarHBondContact O-CB 3.47Å; I749-Q752 PolarHBondContact O-N 2.94Å
750E97.7Very high97.7Very high101 Ų10143.4 Ų43.447%0.47223%0.227SC..G310 helixtrans-65.3-10.5175.1-63.9-179.7-121.400112K711 M747 G748 Q752 P753K711-E750 WeakPolarHBondContact CE-OE2 3.42Å; K711-E750 VanDerWaalsContact NZ-CD 3.3Å; K711-E750 IonicContact NZ-OE1 3.64Å; K711-E750 PolarHBondContact NZ-OE1 3.28Å; K711-E750 IonicContact NZ-OE2 3.61Å; K711-E750 PolarHBondContact NZ-OE2 2.97Å; K711-E750 VanDerWaalsContact NZ-OE2 3.13Å; M747-E750 HydrophobicContact CE-CB 3.55Å; M747-E750 WeakPolarHBondContact CE-O 3.36Å; M747-E750 WeakPolarHBondContact O-CB 3.49Å; M747-E750 PolarHBondContact O-N 3.2Å; M747-E750 HydrophobicContact SD-CB 4.3Å; G748-E750 PolarHBondContact O-N 3.01Å; E750-Q752 VanDerWaalsContact C-N 3.25Å; E750-Q752 PolarHBondContact O-N 2.91Å; E750-P753 WeakPolarHBondContact O-CD 3.45Å
751M97.9Very high97.7Very high0 Ų046.1 Ų46.10%024%0.239CC..G310 helixtrans-73.1-16.2176.2-153.457.7-157.100113.8M718 I743 M747 G748 I749 P753 Y754 I755 L786 V789M718-M751 HydrophobicContact CE-CE 3.26Å; M718-M751 HydrophobicContact CG-CE 4.06Å; M718-M751 HydrophobicContact SD-CE 3.42Å; M718-M751 WeakPolarHBondContact SD-CE 3.35Å; I743-M751 HydrophobicContact CG2-CE 4.12Å; I743-M751 HydrophobicContact CG2-SD 3.89Å; M747-M751 HydrophobicContact CB-CB 4.11Å; M747-M751 HydrophobicContact CB-SD 3.95Å; M747-M751 HydrophobicContact CG-SD 3.97Å; G748-M751 VanDerWaalsContact O-CB 3.23Å; G748-M751 WeakPolarHBondContact O-CB 3.4Å; G748-M751 PolarHBondContact O-N 3.25Å; I749-M751 PolarHBondContact O-N 3.01Å; I749-M751 VanDerWaalsContact O-N 3.08Å; M751-P753 VanDerWaalsContact O-N 3.16Å; M751-Y754 HydrophobicContact CE-CD2 3.92Å; M751-Y754 HydrophobicContact CE-CG 3.98Å; M751-Y754 PolarHBondContact O-N 3.23Å; M751-Y754 HydrophobicContact SD-CD2 3.92Å; M751-I755 HydrophobicContact CB-CD1 4.44Å; M751-I755 HydrophobicContact CG-CD1 4.13Å; M751-I755 PolarHBondContact O-N 3.35Å; M751-L786 HydrophobicContact CG-CD2 4.28Å; M751-V789 HydrophobicContact CB-CG2 4.18Å
752Q97.8Very high97.7Very high97 Ų9746.1 Ų46.145%0.45324%0.239SC..G310 helixtrans-45.8-46-176.4-169.6-167.126.400114.7I749 E750 Y754 I755 C790 E793I749-Q752 WeakPolarHBondContact O-CB 3.47Å; I749-Q752 PolarHBondContact O-N 2.94Å; E750-Q752 VanDerWaalsContact C-N 3.25Å; E750-Q752 PolarHBondContact O-N 2.91Å; Q752-Y754 PolarHBondContact O-N 3.48Å; Q752-I755 PolarHBondContact O-N 3.07Å; Q752-C790 PolarHBondContact N-SG 3.28Å; Q752-C790 VanDerWaalsContact N-SG 3.42Å; Q752-E793 HydrophobicContact CG-CG 4.02Å; Q752-E793 WeakPolarHBondContact CG-OE1 3.16Å; Q752-E793 PolarHBondContact NE2-OE1 3.29Å
753P97.8Very high97.7Very high96 Ų9646.2 Ų46.262%0.62324%0.24SC*.G310 helixtrans-66-23.1-177.3-19.934.7000113.8E750 M751E750-P753 WeakPolarHBondContact O-CD 3.45Å; M751-P753 VanDerWaalsContact O-N 3.16Å
754Y98.1Very high97.6Very high45 Ų4552.9 Ų52.918%0.17627%0.272CS..G310 helixtrans-95.3-16.9-175.6-52.8-76.6000113I714 A715 M718 M747 M751 Q752 P756 M757 V758I714-Y754 HydrophobicContact CG2-CE2 4.16Å; A715-Y754 WeakPolarHBondContact CA-OH 3.47Å; M718-Y754 HydrophobicContact CB-CD1 3.45Å; M718-Y754 VanDerWaalsContact CB-CD1 3.45Å; M718-Y754 HydrophobicContact CB-CE1 3.73Å; M718-Y754 HydrophobicContact CB-CG 4.1Å; M718-Y754 HydrophobicContact CG-CD1 3.77Å; M718-Y754 HydrophobicContact CG-CD2 4.37Å; M718-Y754 HydrophobicContact CG-CE1 4.02Å; M718-Y754 HydrophobicContact CG-CG 3.96Å; M747-Y754 HydrophobicContact CE-CE2 3.92Å; M751-Y754 HydrophobicContact CE-CD2 3.92Å; M751-Y754 HydrophobicContact CE-CG 3.98Å; M751-Y754 PolarHBondContact O-N 3.23Å; M751-Y754 HydrophobicContact SD-CD2 3.92Å; Q752-Y754 PolarHBondContact O-N 3.48Å; Y754-P756 VanDerWaalsContact C-CD 3.46Å; Y754-M757 WeakPolarHBondContact O-CB 3.35Å; Y754-M757 PolarHBondContact O-N 2.99Å; Y754-M757 VanDerWaalsContact O-N 3.11Å; Y754-V758 PolarHBondContact O-N 2.86Å
755I97.8Very high97.6Very high3 Ų352.9 Ų52.92%0.01527%0.272CS..Hα-helixtrans-50.6-48.2179.7-54.7-59.1000112.6M751 Q752 M757 V758 L759 L786 C790 E793 V794M751-I755 HydrophobicContact CB-CD1 4.44Å; M751-I755 HydrophobicContact CG-CD1 4.13Å; M751-I755 PolarHBondContact O-N 3.35Å; Q752-I755 PolarHBondContact O-N 3.07Å; I755-M757 PolarHBondContact O-N 3.38Å; I755-M757 VanDerWaalsContact O-N 3.17Å; I755-V758 PolarHBondContact O-N 2.96Å; I755-L759 HydrophobicContact CG2-CB 4.02Å; I755-L759 HydrophobicContact CG2-CD2 3.92Å; I755-L759 WeakPolarHBondContact O-CB 3.46Å; I755-L759 PolarHBondContact O-N 3.22Å; I755-L786 HydrophobicContact CD1-CB 4.29Å; I755-L786 HydrophobicContact CD1-CD2 3.46Å; I755-L786 VanDerWaalsContact CD1-CD2 3.46Å; I755-L786 HydrophobicContact CD1-CG 4.41Å; I755-C790 HydrophobicContact CD1-CB 3.91Å; I755-C790 HydrophobicContact CG1-CB 3.88Å; I755-E793 HydrophobicContact CB-CB 4.3Å; I755-E793 HydrophobicContact CG1-CB 4.35Å; I755-E793 HydrophobicContact CG2-CB 3.89Å; I755-V794 HydrophobicContact CG2-CG2 3.91Å
756P96.5Very high97.6Very high82 Ų8250.3 Ų50.353%0.53226%0.259SS..Hα-helixtrans-61.9-29-176.3-23.835.9000113.9Y754 H760Y754-P756 VanDerWaalsContact C-CD 3.46Å; P756-H760 PolarHBondContact O-ND1 3.5Å
757M96.2Very high97.7Very high77 Ų7750.5 Ų50.538%0.37926%0.262SS..Hα-helixtrans-72.9-41.8-178.4177.6-171.6-65.900112.1P719 Y754 I755 Q761P719-M757 VanDerWaalsContact CA-SD 3.55Å; P719-M757 HydrophobicContact CB-CE 4.35Å; P719-M757 HydrophobicContact CB-SD 4.48Å; P719-M757 HydrophobicContact CG-CE 4.2Å; Y754-M757 WeakPolarHBondContact O-CB 3.35Å; Y754-M757 PolarHBondContact O-N 2.99Å; Y754-M757 VanDerWaalsContact O-N 3.11Å; I755-M757 PolarHBondContact O-N 3.38Å; I755-M757 VanDerWaalsContact O-N 3.17Å; M757-Q761 PolarHBondContact O-OE1 2.95Å
758V98.2Very high97.6Very high0 Ų055 Ų550%028%0.278CS..Hα-helixtrans-98.6-33.3-172.6-60.50000113.2M718 L725 I740 Y754 I755 H760 Q761 L762 L786M718-V758 HydrophobicContact CE-CG1 3.64Å; L725-V758 HydrophobicContact CD1-CB 3.95Å; L725-V758 HydrophobicContact CD1-CG1 4.24Å; I740-V758 HydrophobicContact CD1-CB 4.31Å; I740-V758 HydrophobicContact CD1-CG1 3.81Å; I740-V758 HydrophobicContact CG1-CG1 4.47Å; I740-V758 HydrophobicContact CG2-CG2 4.29Å; Y754-V758 PolarHBondContact O-N 2.86Å; I755-V758 PolarHBondContact O-N 2.96Å; V758-H760 PolarHBondContact O-N 3.08Å; V758-Q761 PolarHBondContact O-N 3.49Å; V758-L762 HydrophobicContact CB-CD1 4.4Å; V758-L762 HydrophobicContact CG2-CD1 4.45Å; V758-L762 WeakPolarHBondContact O-CG 3.41Å; V758-L762 PolarHBondContact O-N 3.36Å; V758-L786 HydrophobicContact CG2-CD1 4.03Å; V758-L786 HydrophobicContact CG2-CD2 4.35Å
759L98.4Very high97.3Very high4 Ų458.8 Ų58.82%0.02130%0.299CS..Hα-helixtrans-63.2-42.9-170.1179.260.6000112.7I755 Q761 L762 V763 V794 M797I755-L759 HydrophobicContact CG2-CB 4.02Å; I755-L759 HydrophobicContact CG2-CD2 3.92Å; I755-L759 WeakPolarHBondContact O-CB 3.46Å; I755-L759 PolarHBondContact O-N 3.22Å; L759-Q761 VanDerWaalsContact C-N 3.32Å; L759-Q761 PolarHBondContact O-N 3Å; L759-L762 PolarHBondContact O-N 3.02Å; L759-V763 HydrophobicContact CD1-CG2 4.06Å; L759-V763 HydrophobicContact CG-CG2 4.45Å; L759-V763 VanDerWaalsContact O-CG2 3.3Å; L759-V763 WeakPolarHBondContact O-CG2 3.49Å; L759-V763 PolarHBondContact O-N 3.08Å; L759-V794 HydrophobicContact CD1-CG1 3.79Å; L759-V794 HydrophobicContact CD2-CB 4.26Å; L759-V794 HydrophobicContact CD2-CG1 4.04Å; L759-V794 HydrophobicContact CD2-CG2 4.2Å; L759-M797 HydrophobicContact CD2-CG 4.32Å; L759-M797 HydrophobicContact CD2-SD 3.53Å; L759-M797 VanDerWaalsContact CD2-SD 3.53Å; L759-M797 HydrophobicContact CG-SD 3.73Å
760H96.8Very high96.9Very high115 Ų11561.6 Ų61.653%0.53232%0.315SS..Hα-helixtrans-61.5-42-179.6-68.193.3000111.9P756 V758 V763 E764P756-H760 PolarHBondContact O-ND1 3.5Å; V758-H760 PolarHBondContact O-N 3.08Å; H760-V763 PolarHBondContact O-N 3.25Å; H760-E764 PolarHBondContact O-N 2.97Å
761Q97.9Very high96.7Very high56 Ų5657.5 Ų57.526%0.26230%0.297SS..Hα-helixtrans-68.6-42.3179.1-65.2168.5-31.100111.4G722 L725 M757 V758 L759 V763 E764 I765G722-Q761 PolarHBondContact O-NE2 3.12Å; G722-Q761 PolarHBondContact O-OE1 2.91Å; L725-Q761 HydrophobicContact CB-CB 3.85Å; L725-Q761 HydrophobicContact CB-CG 4.49Å; L725-Q761 HydrophobicContact CD1-CB 3.94Å; M757-Q761 PolarHBondContact O-OE1 2.95Å; V758-Q761 PolarHBondContact O-N 3.49Å; L759-Q761 VanDerWaalsContact C-N 3.32Å; L759-Q761 PolarHBondContact O-N 3Å; Q761-V763 VanDerWaalsContact C-N 3.31Å; Q761-V763 PolarHBondContact O-N 3.41Å; Q761-E764 WeakPolarHBondContact O-CB 3.29Å; Q761-E764 PolarHBondContact O-N 3.4Å; Q761-E764 VanDerWaalsContact O-N 3.12Å; Q761-I765 WeakPolarHBondContact O-CD1 3.43Å; Q761-I765 VanDerWaalsContact O-CG1 3.29Å; Q761-I765 WeakPolarHBondContact O-CG1 3.47Å; Q761-I765 PolarHBondContact O-N 2.92Å
762L98.6Very high96.4Very high0 Ų059.7 Ų59.70%031%0.311CS..Hα-helixtrans-61.3-39.5175.1-66.3168.9000112L725 T737 V758 L759 E764 I765 I766 T779 T782 I783 L786L725-L762 HydrophobicContact CD1-CD2 3.96Å; L725-L762 HydrophobicContact CD1-CG 3.89Å; L725-L762 HydrophobicContact CD2-CD2 3.96Å; T737-L762 HydrophobicContact CG2-CD2 3.84Å; V758-L762 HydrophobicContact CB-CD1 4.4Å; V758-L762 HydrophobicContact CG2-CD1 4.45Å; V758-L762 WeakPolarHBondContact O-CG 3.41Å; V758-L762 PolarHBondContact O-N 3.36Å; L759-L762 PolarHBondContact O-N 3.02Å; L762-E764 VanDerWaalsContact C-N 3.31Å; L762-I765 PolarHBondContact O-N 2.79Å; L762-I766 PolarHBondContact O-N 3.03Å; L762-T779 HydrophobicContact CB-CG2 4.13Å; L762-T779 HydrophobicContact CD2-CG2 4.02Å; L762-T779 VanDerWaalsContact O-CG2 3.31Å; L762-T779 WeakPolarHBondContact O-CG2 3.43Å; L762-T782 HydrophobicContact CD1-CG2 3.77Å; L762-T782 HydrophobicContact CD2-CG2 4.36Å; L762-I783 HydrophobicContact CB-CD1 3.95Å; L762-I783 HydrophobicContact CB-CG1 3.76Å; L762-I783 HydrophobicContact CD1-CG1 4.2Å; L762-L786 HydrophobicContact CD1-CD1 3.47Å; L762-L786 VanDerWaalsContact CD1-CD1 3.47Å
763V98.3Very high96.2Very high9 Ų959.9 Ų59.96%0.05531%0.311CS..Hα-helixtrans-68.1-31.5175.5172.80000111.9L759 H760 Q761 I766 N767 I783 M797 Q800 F801L759-V763 HydrophobicContact CD1-CG2 4.06Å; L759-V763 HydrophobicContact CG-CG2 4.45Å; L759-V763 VanDerWaalsContact O-CG2 3.3Å; L759-V763 WeakPolarHBondContact O-CG2 3.49Å; L759-V763 PolarHBondContact O-N 3.08Å; H760-V763 PolarHBondContact O-N 3.25Å; Q761-V763 VanDerWaalsContact C-N 3.31Å; Q761-V763 PolarHBondContact O-N 3.41Å; V763-I766 WeakPolarHBondContact O-CG2 3.39Å; V763-N767 PolarHBondContact O-ND2 3.39Å; V763-I783 HydrophobicContact CG2-CD1 4.48Å; V763-M797 HydrophobicContact CB-CE 4.03Å; V763-M797 HydrophobicContact CG1-CE 4.03Å; V763-M797 HydrophobicContact CG2-CE 3.88Å; V763-Q800 HydrophobicContact CG1-CB 3.9Å; V763-F801 HydrophobicContact CG2-CB 4.33Å; V763-F801 HydrophobicContact CG2-CD1 3.66Å; V763-F801 HydrophobicContact CG2-CE1 4.4Å; V763-F801 HydrophobicContact CG2-CG 4.35Å
764E97.5Very high95.9Very high140 Ų14056.9 Ų56.965%0.65429%0.291SS*.Hα-helixtrans-68.5-48.4172-173.2176.2167.300111.3H760 Q761 L762 I766 N767 R768H760-E764 PolarHBondContact O-N 2.97Å; Q761-E764 WeakPolarHBondContact O-CB 3.29Å; Q761-E764 PolarHBondContact O-N 3.4Å; Q761-E764 VanDerWaalsContact O-N 3.12Å; L762-E764 VanDerWaalsContact C-N 3.31Å; E764-I766 PolarHBondContact O-N 2.94Å; E764-N767 PolarHBondContact O-N 3.18Å; E764-R768 PolarHBondContact O-N 2.98Å; E764-R768 VanDerWaalsContact O-N 3.08Å
765I97.9Very high95.8Very high1 Ų154.8 Ų54.81%0.00528%0.282CS..Hα-helixtrans-57.1-50.2179.7-68159000111.1L725 P727 Q761 L762 N767 R768 T771 L775 T779L725-I765 HydrophobicContact CB-CD1 3.99Å; L725-I765 HydrophobicContact CD2-CD1 4.27Å; P727-I765 HydrophobicContact CB-CG1 4.43Å; P727-I765 HydrophobicContact CG-CG1 3.83Å; Q761-I765 WeakPolarHBondContact O-CD1 3.43Å; Q761-I765 VanDerWaalsContact O-CG1 3.29Å; Q761-I765 WeakPolarHBondContact O-CG1 3.47Å; Q761-I765 PolarHBondContact O-N 2.92Å; L762-I765 PolarHBondContact O-N 2.79Å; I765-N767 PolarHBondContact O-N 3.02Å; I765-N767 VanDerWaalsContact O-N 3.14Å; I765-R768 WeakPolarHBondContact O-CB 3.43Å; I765-R768 PolarHBondContact O-N 3.21Å; I765-T771 HydrophobicContact CG2-CG2 4.34Å; I765-L775 HydrophobicContact CG2-CD1 4.29Å; I765-L775 HydrophobicContact CG2-CD2 4.1Å; I765-L775 HydrophobicContact CG2-CG 3.98Å; I765-T779 HydrophobicContact CB-CG2 4.28Å; I765-T779 HydrophobicContact CG2-CG2 4.16Å; I765-T779 WeakPolarHBondContact CG2-OG1 3.31Å
766I97.7Very high95.7Very high4 Ų456.4 Ų56.42%0.02129%0.291CS..Hα-helixtrans-66.3-19.7-175.6-157.8169.6000113.6L762 V763 E764 L776 T779 A780 I783 F801 P804 W805L762-I766 PolarHBondContact O-N 3.03Å; V763-I766 WeakPolarHBondContact O-CG2 3.39Å; E764-I766 PolarHBondContact O-N 2.94Å; I766-L776 HydrophobicContact CG1-CD2 4.32Å; I766-T779 HydrophobicContact CB-CG2 3.86Å; I766-T779 HydrophobicContact CG1-CG2 4.44Å; I766-A780 HydrophobicContact CD1-CB 3.96Å; I766-I783 HydrophobicContact CB-CD1 4.45Å; I766-I783 HydrophobicContact CD1-CD1 4.08Å; I766-I783 HydrophobicContact CG2-CD1 4.2Å; I766-F801 HydrophobicContact CG2-CB 3.79Å; I766-P804 HydrophobicContact CG1-CB 4.05Å; I766-P804 HydrophobicContact CG1-CG 4.17Å; I766-P804 HydrophobicContact CG2-CG 4.3Å; I766-P804 WeakPolarHBondContact O-CB 3.47Å; I766-W805 HydrophobicContact CD1-CB 3.88Å; I766-W805 HydrophobicContact CD1-CG 4.5Å
767N97.6Very high95.7Very high83 Ų8352.7 Ų52.744%0.44427%0.267SS..Hα-helixtrans-99.7-5.7177.2-75.9-68.9000113.1V763 E764 I765 Q800V763-N767 PolarHBondContact O-ND2 3.39Å; E764-N767 PolarHBondContact O-N 3.18Å; I765-N767 PolarHBondContact O-N 3.02Å; I765-N767 VanDerWaalsContact O-N 3.14Å; N767-Q800 PolarHBondContact ND2-O 2.82Å; N767-Q800 PolarHBondContact OD1-O 2.74Å
768R95.5Very high95.7Very high110 Ų11049.4 Ų49.442%0.41525%0.25SS..SBendtrans-70.6127.7-178.9-178.9177.2177.1165.9-2.2109.7P727 E764 I765 T771P727-R768 VanDerWaalsContact CB-NH1 3.34Å; P727-R768 VanDerWaalsContact CG-NH1 3.27Å; E764-R768 PolarHBondContact O-N 2.98Å; E764-R768 VanDerWaalsContact O-N 3.08Å; I765-R768 WeakPolarHBondContact O-CB 3.43Å; I765-R768 PolarHBondContact O-N 3.21Å; R768-T771 WeakPolarHBondContact CB-OG1 3.31Å; R768-T771 PolarHBondContact O-OG1 3.03Å
769P92.1Very high95.7Very high101 Ų10149.4 Ų49.466%0.65625%0.25SS*.THydrogen-bonded Turntrans-65.9150.4175.627-32.6000110.8T771P769-T771 PolarHBondContact O-N 3.28Å
770N89.1Confident95.7Very high169 Ų16949.2 Ų49.290%0.90425%0.249SC*.THydrogen-bonded Turntrans58.229.2-179.8-49.9-18.8000114
771T92.5Very high95.8Very high16 Ų1644 Ų4410%0.09823%0.225CC..  trans-77.7133171.5-55.20000109.3I765 R768 P769 L775 L776I765-T771 HydrophobicContact CG2-CG2 4.34Å; R768-T771 WeakPolarHBondContact CB-OG1 3.31Å; R768-T771 PolarHBondContact O-OG1 3.03Å; P769-T771 PolarHBondContact O-N 3.28Å; T771-L775 HydrophobicContact CG2-CB 4.13Å; T771-L775 HydrophobicContact CG2-CD2 3.73Å; T771-L775 HydrophobicContact CG2-CG 3.91Å; T771-L776 HydrophobicContact CG2-CD2 3.83Å; T771-L776 HydrophobicContact CG2-CG 3.81Å; T771-L776 WeakPolarHBondContact O-CD1 3.35Å
772P92.7Very high95.8Very high45 Ų4541.4 Ų41.429%0.29221%0.213SC..  trans-56.5146.4177.7-27.736.1000113I730 T774 L775 L776I730-P772 HydrophobicContact CD1-CG 3.9Å; I730-P772 HydrophobicContact CG1-CG 4.41Å; I730-P772 HydrophobicContact CG2-CG 3.84Å; P772-T774 PolarHBondContact O-N 3.12Å; P772-L775 PolarHBondContact O-N 3.43Å; P772-L776 WeakPolarHBondContact O-CG 3.37Å; P772-L776 PolarHBondContact O-N 2.77Å
773K93.2Very high95.8Very high102 Ų10241.4 Ų41.444%0.44321%0.213SC..Hα-helixtrans-56.3-46.7-176.4179.7-177.4167-162.20111.9L775 L776 E777K773-L775 PolarHBondContact O-N 3.41Å; K773-L776 WeakPolarHBondContact O-CB 3.28Å; K773-L776 PolarHBondContact O-N 3.49Å; K773-L776 VanDerWaalsContact O-N 3.15Å; K773-E777 WeakPolarHBondContact CE-OE1 3.2Å; K773-E777 HydrophobicContact CG-CG 4.4Å; K773-E777 WeakPolarHBondContact CG-OE1 3.44Å; K773-E777 VanDerWaalsContact O-CG 3.3Å; K773-E777 WeakPolarHBondContact O-CG 3.34Å; K773-E777 PolarHBondContact O-N 2.95Å
774T91.3Very high95.8Very high33 Ų3341 Ų4120%0.20221%0.211CC..Hα-helixtrans-57.5-46.5179.651.60000112.4A354 P772 E777 N778A354-T774 HydrophobicContact CB-CG2 4.21Å; P772-T774 PolarHBondContact O-N 3.12Å; T774-E777 PolarHBondContact O-N 2.68Å; T774-N778 PolarHBondContact O-N 3.31Å
775L95.6Very high95.9Very high0 Ų034.9 Ų34.90%018%0.182CC..Hα-helixtrans-65.1-40.3176.3177.757.4000111.9P727 N734 I765 T771 P772 K773 T779P727-L775 HydrophobicContact CB-CD2 4.49Å; N734-L775 HydrophobicContact CB-CD1 4.08Å; I765-L775 HydrophobicContact CG2-CD1 4.29Å; I765-L775 HydrophobicContact CG2-CD2 4.1Å; I765-L775 HydrophobicContact CG2-CG 3.98Å; T771-L775 HydrophobicContact CG2-CB 4.13Å; T771-L775 HydrophobicContact CG2-CD2 3.73Å; T771-L775 HydrophobicContact CG2-CG 3.91Å; P772-L775 PolarHBondContact O-N 3.43Å; K773-L775 PolarHBondContact O-N 3.41Å; L775-T779 WeakPolarHBondContact O-CB 3.46Å; L775-T779 PolarHBondContact O-N 3.02Å; L775-T779 PolarHBondContact O-OG1 3.31Å
776L96.7Very high95.9Very high37 Ų3734.9 Ų34.919%0.19418%0.182CC..Hα-helixtrans-62.2-42.8176-73.6174.8000112I766 T771 P772 K773 T779 A780I766-L776 HydrophobicContact CG1-CD2 4.32Å; T771-L776 HydrophobicContact CG2-CD2 3.83Å; T771-L776 HydrophobicContact CG2-CG 3.81Å; T771-L776 WeakPolarHBondContact O-CD1 3.35Å; P772-L776 WeakPolarHBondContact O-CG 3.37Å; P772-L776 PolarHBondContact O-N 2.77Å; K773-L776 WeakPolarHBondContact O-CB 3.28Å; K773-L776 PolarHBondContact O-N 3.49Å; K773-L776 VanDerWaalsContact O-N 3.15Å; L776-T779 PolarHBondContact O-N 3.08Å; L776-A780 WeakPolarHBondContact O-CB 3.49Å; L776-A780 PolarHBondContact O-N 3Å
777E95.9Very high95.9Very high5 Ų534.7 Ų34.72%0.02318%0.181CC..Hα-helixtrans-65.3-49.2178.6-69.5178.4177.700111.7H357 K773 T774 T779 A780 I781 I812H357-E777 IonicContact CE1-OE2 2.72Å; H357-E777 IonicContact NE2-OE2 2.65Å; K773-E777 WeakPolarHBondContact CE-OE1 3.2Å; K773-E777 HydrophobicContact CG-CG 4.4Å; K773-E777 WeakPolarHBondContact CG-OE1 3.44Å; K773-E777 VanDerWaalsContact O-CG 3.3Å; K773-E777 WeakPolarHBondContact O-CG 3.34Å; K773-E777 PolarHBondContact O-N 2.95Å; T774-E777 PolarHBondContact O-N 2.68Å; E777-T779 VanDerWaalsContact C-N 3.32Å; E777-T779 PolarHBondContact O-N 3.48Å; E777-A780 PolarHBondContact O-N 3.39Å; E777-I781 WeakPolarHBondContact O-CG1 3.39Å; E777-I781 PolarHBondContact O-N 3.27Å; E777-I812 HydrophobicContact CB-CD1 3.81Å; E777-I812 HydrophobicContact CG-CD1 3.67Å; E777-I812 HydrophobicContact CG-CG1 4.23Å
778N96.5Very high96Very high7 Ų735.4 Ų35.44%0.03718%0.178CC..Hα-helixtrans-63.1-38176.4-82.1-14000112.2V353 N734 T737 T774 I781 T782V353-N778 PolarHBondContact O-ND2 3.01Å; N734-N778 WeakPolarHBondContact OD1-CB 3.31Å; N734-N778 PolarHBondContact OD1-ND2 3.02Å; T737-N778 HydrophobicContact CG2-CB 4.29Å; T737-N778 WeakPolarHBondContact CG2-O 3.27Å; T774-N778 PolarHBondContact O-N 3.31Å; N778-I781 PolarHBondContact O-N 3.29Å; N778-T782 VanDerWaalsContact O-CB 3.31Å; N778-T782 WeakPolarHBondContact O-CB 3.28Å; N778-T782 PolarHBondContact O-N 3.36Å; N778-T782 PolarHBondContact O-OG1 3.07Å
779T98.4Very high96.1Very high0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-62.9-46.4173.9-59.90000111L762 I765 I766 L775 L776 E777 T782 I783L762-T779 HydrophobicContact CB-CG2 4.13Å; L762-T779 HydrophobicContact CD2-CG2 4.02Å; L762-T779 VanDerWaalsContact O-CG2 3.31Å; L762-T779 WeakPolarHBondContact O-CG2 3.43Å; I765-T779 HydrophobicContact CB-CG2 4.28Å; I765-T779 HydrophobicContact CG2-CG2 4.16Å; I765-T779 WeakPolarHBondContact CG2-OG1 3.31Å; I766-T779 HydrophobicContact CB-CG2 3.86Å; I766-T779 HydrophobicContact CG1-CG2 4.44Å; L775-T779 WeakPolarHBondContact O-CB 3.46Å; L775-T779 PolarHBondContact O-N 3.02Å; L775-T779 PolarHBondContact O-OG1 3.31Å; L776-T779 PolarHBondContact O-N 3.08Å; E777-T779 VanDerWaalsContact C-N 3.32Å; E777-T779 PolarHBondContact O-N 3.48Å; T779-T782 PolarHBondContact O-N 2.91Å; T779-I783 HydrophobicContact CG2-CD1 3.98Å; T779-I783 WeakPolarHBondContact O-CG1 3.45Å; T779-I783 PolarHBondContact O-N 3.24Å
780A98.3Very high96.4Very high0 Ų026.4 Ų26.40%013%0.133CC..Hα-helixtrans-62.8-45.917800000111.5I766 L776 E777 T782 I783 G784 W805 L809I766-A780 HydrophobicContact CD1-CB 3.96Å; L776-A780 WeakPolarHBondContact O-CB 3.49Å; L776-A780 PolarHBondContact O-N 3Å; E777-A780 PolarHBondContact O-N 3.39Å; A780-T782 VanDerWaalsContact C-N 3.31Å; A780-T782 PolarHBondContact O-N 3.04Å; A780-I783 PolarHBondContact O-N 3.08Å; A780-G784 PolarHBondContact O-N 3.4Å; A780-W805 HydrophobicContact CB-CG 4.04Å; A780-W805 PolarHBondContact O-NE1 3.2Å; A780-L809 HydrophobicContact CB-CD1 4.12Å; A780-L809 HydrophobicContact CB-CD2 3.77Å; A780-L809 HydrophobicContact CB-CG 3.76Å
781I98.3Very high96.8Very high5 Ų519.6 Ų19.63%0.02610%0.098CC..Hα-helixtrans-57.5-46.7175.6-74.9156.6000111E777 N778 G784 R785 L809 I812 E817 A821E777-I781 WeakPolarHBondContact O-CG1 3.39Å; E777-I781 PolarHBondContact O-N 3.27Å; N778-I781 PolarHBondContact O-N 3.29Å; I781-G784 PolarHBondContact O-N 3.26Å; I781-R785 HydrophobicContact CG2-CG 4.34Å; I781-R785 WeakPolarHBondContact O-CG 3.49Å; I781-R785 PolarHBondContact O-N 2.72Å; I781-L809 HydrophobicContact CD1-CD2 4.23Å; I781-L809 HydrophobicContact CG1-CD1 4.24Å; I781-L809 HydrophobicContact CG1-CD2 3.86Å; I781-I812 HydrophobicContact CD1-CD1 4.47Å; I781-E817 HydrophobicContact CD1-CB 3.97Å; I781-E817 HydrophobicContact CG1-CB 4.42Å; I781-E817 HydrophobicContact CG2-CB 4.17Å; I781-A821 HydrophobicContact CB-CB 4.39Å; I781-A821 HydrophobicContact CG1-CB 4.2Å
782T98.6Very high97.1Very high2 Ų224.6 Ų24.61%0.01212%0.121CC..Hα-helixtrans-62.9-46.7-179.1-59.80000111.8T737 I740 L762 N778 T779 A780 G784 R785 L786T737-T782 HydrophobicContact CG2-CG2 4.34Å; T737-T782 WeakPolarHBondContact CG2-OG1 3.46Å; T737-T782 PolarHBondContact O-OG1 3.25Å; T737-T782 VanDerWaalsContact O-OG1 3.04Å; I740-T782 HydrophobicContact CB-CG2 4.15Å; I740-T782 HydrophobicContact CG2-CG2 3.78Å; L762-T782 HydrophobicContact CD1-CG2 3.77Å; L762-T782 HydrophobicContact CD2-CG2 4.36Å; N778-T782 VanDerWaalsContact O-CB 3.31Å; N778-T782 WeakPolarHBondContact O-CB 3.28Å; N778-T782 PolarHBondContact O-N 3.36Å; N778-T782 PolarHBondContact O-OG1 3.07Å; T779-T782 PolarHBondContact O-N 2.91Å; A780-T782 VanDerWaalsContact C-N 3.31Å; A780-T782 PolarHBondContact O-N 3.04Å; T782-G784 VanDerWaalsContact C-N 3.29Å; T782-G784 PolarHBondContact O-N 3.47Å; T782-R785 PolarHBondContact O-N 3.1Å; T782-L786 HydrophobicContact CG2-CD1 4.27Å; T782-L786 VanDerWaalsContact O-CG 3.29Å; T782-L786 WeakPolarHBondContact O-CG 3.45Å; T782-L786 PolarHBondContact O-N 3.08Å
783I98.7Very high97.3Very high0 Ų025.2 Ų25.20%012%0.119CC..Hα-helixtrans-59-42.5174.4-67.6170.6000111.1L762 V763 I766 T779 A780 L786 G787 V794 F801L762-I783 HydrophobicContact CB-CD1 3.95Å; L762-I783 HydrophobicContact CB-CG1 3.76Å; L762-I783 HydrophobicContact CD1-CG1 4.2Å; V763-I783 HydrophobicContact CG2-CD1 4.48Å; I766-I783 HydrophobicContact CB-CD1 4.45Å; I766-I783 HydrophobicContact CD1-CD1 4.08Å; I766-I783 HydrophobicContact CG2-CD1 4.2Å; T779-I783 HydrophobicContact CG2-CD1 3.98Å; T779-I783 WeakPolarHBondContact O-CG1 3.45Å; T779-I783 PolarHBondContact O-N 3.24Å; A780-I783 PolarHBondContact O-N 3.08Å; I783-L786 PolarHBondContact O-N 3.43Å; I783-G787 PolarHBondContact O-N 3.25Å; I783-V794 HydrophobicContact CG2-CG1 4.47Å; I783-F801 HydrophobicContact CD1-CG 4.43Å; I783-F801 HydrophobicContact CG2-CD1 4.31Å; I783-F801 HydrophobicContact CG2-CD2 3.76Å; I783-F801 HydrophobicContact CG2-CE1 3.93Å; I783-F801 HydrophobicContact CG2-CE2 3.37Å; I783-F801 HydrophobicContact CG2-CG 4.22Å; I783-F801 HydrophobicContact CG2-CZ 3.45Å; I783-F801 VanDerWaalsContact CG2-CZ 3.45Å
784G98.5Very high97.6Very high0 Ų020.3 Ų20.30%010%0.098CC..Hα-helixtrans-58.6-50.6175.200000111.4A780 I781 T782 L786 G787 Y788 G824A780-G784 PolarHBondContact O-N 3.4Å; I781-G784 PolarHBondContact O-N 3.26Å; T782-G784 VanDerWaalsContact C-N 3.29Å; T782-G784 PolarHBondContact O-N 3.47Å; G784-L786 PolarHBondContact O-N 3.03Å; G784-G787 CarbonylContact O-C 3.3Å; G784-G787 WeakPolarHBondContact O-CA 3.43Å; G784-G787 PolarHBondContact O-N 2.66Å; G784-G787 VanDerWaalsContact O-N 3.12Å; G784-Y788 PolarHBondContact O-N 2.67Å; G784-G824 VanDerWaalsContact O-CA 3.24Å; G784-G824 WeakPolarHBondContact O-CA 3.34Å
785R98.6Very high97.9Very high13 Ų1318.8 Ų18.85%0.0499%0.089CC..Hα-helixtrans-61.8-40.4178.6-70.5177.1164-176.2-5.4112.7G741 E742 I745 I781 T782 G787 Y788 V789 S820G741-R785 WeakPolarHBondContact O-CD 3.04Å; E742-R785 IonicContact OE1-CZ 3.14Å; E742-R785 IonicContact OE1-NH1 2.7Å; E742-R785 PolarHBondContact OE1-NH1 3.08Å; E742-R785 IonicContact OE1-NH2 2.79Å; E742-R785 PolarHBondContact OE1-NH2 3.35Å; I745-R785 HydrophobicContact CD1-CB 4.16Å; I745-R785 HydrophobicContact CD1-CG 3.91Å; I745-R785 HydrophobicContact CG1-CB 4.18Å; I745-R785 HydrophobicContact CG1-CG 3.89Å; I781-R785 HydrophobicContact CG2-CG 4.34Å; I781-R785 WeakPolarHBondContact O-CG 3.49Å; I781-R785 PolarHBondContact O-N 2.72Å; T782-R785 PolarHBondContact O-N 3.1Å; R785-G787 VanDerWaalsContact C-N 3.34Å; R785-G787 PolarHBondContact O-N 2.82Å; R785-Y788 WeakPolarHBondContact O-CB 3.26Å; R785-Y788 PolarHBondContact O-N 3.36Å; R785-Y788 VanDerWaalsContact O-N 3.15Å; R785-V789 PolarHBondContact O-N 3.28Å; R785-S820 WeakPolarHBondContact CG-OG 3.32Å; R785-S820 PolarHBondContact NE-OG 3.37Å
786L98.7Very high98Very high0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-59.5-45.3172.3-68.6169.2000111.2S744 M751 I755 V758 L762 T782 I783 G784 Y788 V789 C790 V794S744-L786 WeakPolarHBondContact OG-CD2 3.24Å; M751-L786 HydrophobicContact CG-CD2 4.28Å; I755-L786 HydrophobicContact CD1-CB 4.29Å; I755-L786 HydrophobicContact CD1-CD2 3.46Å; I755-L786 VanDerWaalsContact CD1-CD2 3.46Å; I755-L786 HydrophobicContact CD1-CG 4.41Å; V758-L786 HydrophobicContact CG2-CD1 4.03Å; V758-L786 HydrophobicContact CG2-CD2 4.35Å; L762-L786 HydrophobicContact CD1-CD1 3.47Å; L762-L786 VanDerWaalsContact CD1-CD1 3.47Å; T782-L786 HydrophobicContact CG2-CD1 4.27Å; T782-L786 VanDerWaalsContact O-CG 3.29Å; T782-L786 WeakPolarHBondContact O-CG 3.45Å; T782-L786 PolarHBondContact O-N 3.08Å; I783-L786 PolarHBondContact O-N 3.43Å; G784-L786 PolarHBondContact O-N 3.03Å; L786-Y788 VanDerWaalsContact C-N 3.25Å; L786-Y788 PolarHBondContact O-N 2.89Å; L786-V789 PolarHBondContact O-N 3.17Å; L786-C790 PolarHBondContact O-N 3.1Å; L786-V794 HydrophobicContact CB-CG2 3.99Å
787G98.3Very high98.1Very high0 Ų022.1 Ų22.10%011%0.111CC..Hα-helixtrans-67.4-23.8176.100000114.1I783 G784 R785 P791I783-G787 PolarHBondContact O-N 3.25Å; G784-G787 CarbonylContact O-C 3.3Å; G784-G787 WeakPolarHBondContact O-CA 3.43Å; G784-G787 PolarHBondContact O-N 2.66Å; G784-G787 VanDerWaalsContact O-N 3.12Å; R785-G787 VanDerWaalsContact C-N 3.34Å; R785-G787 PolarHBondContact O-N 2.82Å; G787-P791 WeakPolarHBondContact O-CA 3.49Å; G787-P791 VanDerWaalsContact O-CB 3.3Å; G787-P791 WeakPolarHBondContact O-CB 3.48Å
788Y98.2Very high98.2Very high99 Ų9921.9 Ų21.939%0.38811%0.11SC..Hα-helixtrans-71.5-40.7174.6-174-145.1000111.7I745 G784 R785 L786 R823I745-Y788 HydrophobicContact CD1-CD1 3.92Å; I745-Y788 HydrophobicContact CD1-CE1 4.45Å; G784-Y788 PolarHBondContact O-N 2.67Å; R785-Y788 WeakPolarHBondContact O-CB 3.26Å; R785-Y788 PolarHBondContact O-N 3.36Å; R785-Y788 VanDerWaalsContact O-N 3.15Å; L786-Y788 VanDerWaalsContact C-N 3.25Å; L786-Y788 PolarHBondContact O-N 2.89Å; Y788-R823 HydrophobicContact CD2-CB 3.86Å; Y788-R823 HydrophobicContact CE2-CB 3.85Å; Y788-R823 HydrophobicContact CG-CB 4.29Å
789V98.2Very high98.2Very high21 Ų2125.9 Ų25.913%0.12713%0.128CC..Hα-helixtrans-94-29.4-175-57.90000114.1S744 M751 R785 L786S744-V789 WeakPolarHBondContact O-CG1 3.4Å; M751-V789 HydrophobicContact CB-CG2 4.18Å; R785-V789 PolarHBondContact O-N 3.28Å; L786-V789 PolarHBondContact O-N 3.17Å
790C98.3Very high98.2Very high0 Ų030.9 Ų30.90%015%0.152CC..  trans-132.261.9-179.8-67.70000111.4Q752 I755 L786 Q792 E793 V794Q752-C790 PolarHBondContact N-SG 3.28Å; Q752-C790 VanDerWaalsContact N-SG 3.42Å; I755-C790 HydrophobicContact CD1-CB 3.91Å; I755-C790 HydrophobicContact CG1-CB 3.88Å; L786-C790 PolarHBondContact O-N 3.1Å; C790-Q792 VanDerWaalsContact C-N 3.28Å; C790-Q792 PolarHBondContact O-N 3.41Å; C790-E793 HydrophobicContact CB-CB 4.45Å; C790-E793 WeakPolarHBondContact CB-OE2 3.3Å; C790-E793 PolarHBondContact O-N 3.43Å; C790-V794 WeakPolarHBondContact O-CG2 3.26Å; C790-V794 PolarHBondContact O-N 2.82Å
791P97.9Very high98.2Very high26 Ų2630.9 Ų30.917%0.16915%0.152CC..Hα-helixtrans-64.4-27.6-172.824.4-35.1000114G787 E793 A795 T827 V831G787-P791 WeakPolarHBondContact O-CA 3.49Å; G787-P791 VanDerWaalsContact O-CB 3.3Å; G787-P791 WeakPolarHBondContact O-CB 3.48Å; P791-E793 VanDerWaalsContact C-N 3.32Å; P791-A795 WeakPolarHBondContact O-CB 3.18Å; P791-A795 PolarHBondContact O-N 2.83Å; P791-T827 HydrophobicContact CB-CG2 3.67Å; P791-T827 HydrophobicContact CG-CG2 3.79Å; P791-V831 HydrophobicContact CB-CG2 4.1Å
792Q97.9Very high98.2Very high122 Ų12230.7 Ų30.757%0.5715%0.151SC*.Hα-helixtrans-69.9-33.4-178.4-63-61.1-35.600112C790 P796C790-Q792 VanDerWaalsContact C-N 3.28Å; C790-Q792 PolarHBondContact O-N 3.41Å; Q792-P796 VanDerWaalsContact O-CD 3.22Å; Q792-P796 WeakPolarHBondContact O-CD 3.42Å; Q792-P796 WeakPolarHBondContact O-CG 3.25Å
793E98Very high98.1Very high57 Ų5737 Ų3727%0.26617%0.174SC..Hα-helixtrans-82.1-36.4-178.3-66.268.8-157.600111.6Q752 I755 C790 P791Q752-E793 HydrophobicContact CG-CG 4.02Å; Q752-E793 WeakPolarHBondContact CG-OE1 3.16Å; Q752-E793 PolarHBondContact NE2-OE1 3.29Å; I755-E793 HydrophobicContact CB-CB 4.3Å; I755-E793 HydrophobicContact CG1-CB 4.35Å; I755-E793 HydrophobicContact CG2-CB 3.89Å; C790-E793 HydrophobicContact CB-CB 4.45Å; C790-E793 WeakPolarHBondContact CB-OE2 3.3Å; C790-E793 PolarHBondContact O-N 3.43Å; P791-E793 VanDerWaalsContact C-N 3.32Å
794V98.4Very high98Very high0 Ų038.4 Ų38.40%018%0.184CC..Hα-helixtrans-90.6-39.3-173.8-170.80000112.6I755 L759 I783 L786 C790 P796 M797 F801 M828I755-V794 HydrophobicContact CG2-CG2 3.91Å; L759-V794 HydrophobicContact CD1-CG1 3.79Å; L759-V794 HydrophobicContact CD2-CB 4.26Å; L759-V794 HydrophobicContact CD2-CG1 4.04Å; L759-V794 HydrophobicContact CD2-CG2 4.2Å; I783-V794 HydrophobicContact CG2-CG1 4.47Å; L786-V794 HydrophobicContact CB-CG2 3.99Å; C790-V794 WeakPolarHBondContact O-CG2 3.26Å; C790-V794 PolarHBondContact O-N 2.82Å; V794-P796 VanDerWaalsContact C-N 3.3Å; V794-P796 VanDerWaalsContact O-N 3.14Å; V794-M797 PolarHBondContact O-N 3Å; V794-F801 HydrophobicContact CG1-CE1 4.39Å; V794-F801 HydrophobicContact CG1-CZ 4.24Å; V794-M828 HydrophobicContact CB-SD 3.65Å; V794-M828 HydrophobicContact CG1-CE 4.35Å; V794-M828 HydrophobicContact CG1-SD 3.33Å; V794-M828 WeakPolarHBondContact CG1-SD 3.05Å
795A98.2Very high98Very high0 Ų038.4 Ų38.40%018%0.184CC..G310 helixtrans-54.9-32.3-176.800000115.2P791 M797 L798 M828 V831 N832P791-A795 WeakPolarHBondContact O-CB 3.18Å; P791-A795 PolarHBondContact O-N 2.83Å; A795-M797 PolarHBondContact O-N 3.36Å; A795-L798 WeakPolarHBondContact O-CB 3.34Å; A795-L798 PolarHBondContact O-N 3.16Å; A795-L798 VanDerWaalsContact O-N 3.07Å; A795-M828 HydrophobicContact CB-CB 3.88Å; A795-M828 HydrophobicContact CB-CG 4.01Å; A795-V831 HydrophobicContact CB-CB 4.01Å; A795-V831 HydrophobicContact CB-CG1 3.96Å; A795-N832 HydrophobicContact CB-CB 3.86Å; A795-N832 PolarHBondContact O-ND2 3.15Å
796P98Very high98Very high85 Ų8537.9 Ų37.955%0.55218%0.182SC*.G310 helixtrans-56.7-28.2174-28.137000114.6Q792 V794Q792-P796 VanDerWaalsContact O-CD 3.22Å; Q792-P796 WeakPolarHBondContact O-CD 3.42Å; Q792-P796 WeakPolarHBondContact O-CG 3.25Å; V794-P796 VanDerWaalsContact C-N 3.3Å; V794-P796 VanDerWaalsContact O-N 3.14Å
797M97.6Very high97.8Very high22 Ų2241.1 Ų41.111%0.10820%0.202CC..G310 helixtrans-92.4-0.3178.7-65.1-174.274.800113.6L759 V763 V794 A795 Q799 Q800 F801L759-M797 HydrophobicContact CD2-CG 4.32Å; L759-M797 HydrophobicContact CD2-SD 3.53Å; L759-M797 VanDerWaalsContact CD2-SD 3.53Å; L759-M797 HydrophobicContact CG-SD 3.73Å; V763-M797 HydrophobicContact CB-CE 4.03Å; V763-M797 HydrophobicContact CG1-CE 4.03Å; V763-M797 HydrophobicContact CG2-CE 3.88Å; V794-M797 PolarHBondContact O-N 3Å; A795-M797 PolarHBondContact O-N 3.36Å; M797-Q799 VanDerWaalsContact C-N 3.27Å; M797-Q799 PolarHBondContact O-N 2.98Å; M797-Q799 VanDerWaalsContact O-N 3.1Å; M797-Q800 VanDerWaalsContact O-CB 3.3Å; M797-Q800 WeakPolarHBondContact O-CB 3.26Å; M797-Q800 PolarHBondContact O-N 2.95Å; M797-F801 HydrophobicContact CB-CD1 4.38Å; M797-F801 HydrophobicContact CB-CE1 4.08Å; M797-F801 VanDerWaalsContact O-CD1 3.25Å; M797-F801 WeakPolarHBondContact O-CD1 3.25Å; M797-F801 WeakPolarHBondContact O-CE1 3.23Å
798L97.9Very high97.7Very high0 Ų041.8 Ų41.80%021%0.206CC..Hα-helixtrans-48.5-44.6-172.8-177.262.7000113.6A795 Q800 F801 I802 I825 M828 I829 V836A795-L798 WeakPolarHBondContact O-CB 3.34Å; A795-L798 PolarHBondContact O-N 3.16Å; A795-L798 VanDerWaalsContact O-N 3.07Å; L798-Q800 PolarHBondContact O-N 3.1Å; L798-Q800 VanDerWaalsContact O-N 3.16Å; L798-F801 HydrophobicContact CB-CZ 4.48Å; L798-F801 HydrophobicContact CD1-CE2 3.83Å; L798-F801 HydrophobicContact CD1-CZ 3.87Å; L798-F801 PolarHBondContact O-N 3.29Å; L798-I802 HydrophobicContact CD1-CB 4.2Å; L798-I802 HydrophobicContact CD1-CD1 3.99Å; L798-I802 HydrophobicContact CD1-CG1 4.31Å; L798-I802 HydrophobicContact CG-CB 4.44Å; L798-I802 VanDerWaalsContact O-CB 3.26Å; L798-I802 WeakPolarHBondContact O-CB 3.39Å; L798-I802 WeakPolarHBondContact O-CG2 3.33Å; L798-I802 PolarHBondContact O-N 3.02Å; L798-I825 HydrophobicContact CD1-CD1 4.19Å; L798-M828 HydrophobicContact CD1-CB 4.44Å; L798-M828 HydrophobicContact CD1-CE 4.36Å; L798-M828 HydrophobicContact CD2-CB 4.46Å; L798-I829 HydrophobicContact CD2-CG1 3.87Å; L798-V836 HydrophobicContact CD2-CB 4.4Å
799Q97.8Very high97.6Very high91 Ų9137.1 Ų37.143%0.42519%0.188SC..Hα-helixtrans-60.8-25.6179.8-169.3179.112.200113.7M797 G835M797-Q799 VanDerWaalsContact C-N 3.27Å; M797-Q799 PolarHBondContact O-N 2.98Å; M797-Q799 VanDerWaalsContact O-N 3.1Å; Q799-G835 WeakPolarHBondContact CA-O 3.28Å; Q799-G835 WeakPolarHBondContact CB-O 3.17Å; Q799-G835 PolarHBondContact N-O 2.69Å
800Q97.7Very high97.3Very high106 Ų10641 Ų4150%0.49520%0.2SC..Hα-helixtrans-79.7-20.5-174.8-56.7-179.93300113V763 N767 M797 L798V763-Q800 HydrophobicContact CG1-CB 3.9Å; N767-Q800 PolarHBondContact ND2-O 2.82Å; N767-Q800 PolarHBondContact OD1-O 2.74Å; M797-Q800 VanDerWaalsContact O-CB 3.3Å; M797-Q800 WeakPolarHBondContact O-CB 3.26Å; M797-Q800 PolarHBondContact O-N 2.95Å; L798-Q800 PolarHBondContact O-N 3.1Å; L798-Q800 VanDerWaalsContact O-N 3.16Å
801F97.7Very high96.7Very high0 Ų046.1 Ų46.10%023%0.228CC..Hα-helixtrans-130.5-11-174.763.5-102.7000114.4V763 I766 I783 V794 M797 L798 R803 P804 W805 I825 M828V763-F801 HydrophobicContact CG2-CB 4.33Å; V763-F801 HydrophobicContact CG2-CD1 3.66Å; V763-F801 HydrophobicContact CG2-CE1 4.4Å; V763-F801 HydrophobicContact CG2-CG 4.35Å; I766-F801 HydrophobicContact CG2-CB 3.79Å; I783-F801 HydrophobicContact CD1-CG 4.43Å; I783-F801 HydrophobicContact CG2-CD1 4.31Å; I783-F801 HydrophobicContact CG2-CD2 3.76Å; I783-F801 HydrophobicContact CG2-CE1 3.93Å; I783-F801 HydrophobicContact CG2-CE2 3.37Å; I783-F801 HydrophobicContact CG2-CG 4.22Å; I783-F801 HydrophobicContact CG2-CZ 3.45Å; I783-F801 VanDerWaalsContact CG2-CZ 3.45Å; V794-F801 HydrophobicContact CG1-CE1 4.39Å; V794-F801 HydrophobicContact CG1-CZ 4.24Å; M797-F801 HydrophobicContact CB-CD1 4.38Å; M797-F801 HydrophobicContact CB-CE1 4.08Å; M797-F801 VanDerWaalsContact O-CD1 3.25Å; M797-F801 WeakPolarHBondContact O-CD1 3.25Å; M797-F801 WeakPolarHBondContact O-CE1 3.23Å; L798-F801 HydrophobicContact CB-CZ 4.48Å; L798-F801 HydrophobicContact CD1-CE2 3.83Å; L798-F801 HydrophobicContact CD1-CZ 3.87Å; L798-F801 PolarHBondContact O-N 3.29Å; F801-R803 VanDerWaalsContact C-N 3.31Å; F801-R803 PolarHBondContact O-N 2.86Å; F801-P804 WeakPolarHBondContact O-CD 3.49Å; F801-P804 VanDerWaalsContact O-CG 3.29Å; F801-P804 WeakPolarHBondContact O-CG 3.4Å; F801-W805 HydrophobicContact CD2-CB 4.15Å; F801-W805 HydrophobicContact CD2-CG 4.4Å; F801-W805 WeakPolarHBondContact O-CB 3.35Å; F801-W805 PolarHBondContact O-N 2.9Å; F801-I825 HydrophobicContact CE2-CD1 3.95Å; F801-M828 HydrophobicContact CE2-CE 4.2Å; F801-M828 HydrophobicContact CZ-CE 3.97Å; F801-M828 HydrophobicContact CZ-SD 4.08Å
802I98.2Very high96.3Very high0 Ų045.3 Ų45.30%022%0.222CC..Hα-helixtrans-60.2-37.4-170.1-170.854.3000113.6L798 W805 C806 I825 V836 D839L798-I802 HydrophobicContact CD1-CB 4.2Å; L798-I802 HydrophobicContact CD1-CD1 3.99Å; L798-I802 HydrophobicContact CD1-CG1 4.31Å; L798-I802 HydrophobicContact CG-CB 4.44Å; L798-I802 VanDerWaalsContact O-CB 3.26Å; L798-I802 WeakPolarHBondContact O-CB 3.39Å; L798-I802 WeakPolarHBondContact O-CG2 3.33Å; L798-I802 PolarHBondContact O-N 3.02Å; I802-W805 HydrophobicContact CD1-CE3 4.38Å; I802-C806 WeakPolarHBondContact O-CB 3.5Å; I802-C806 PolarHBondContact O-N 3.15Å; I802-C806 PolarHBondContact O-SG 3.04Å; I802-I825 HydrophobicContact CD1-CD1 4.05Å; I802-I825 HydrophobicContact CD1-CG2 3.95Å; I802-V836 HydrophobicContact CG1-CG2 3.85Å; I802-D839 HydrophobicContact CG2-CB 3.96Å
803R97.4Very high95.9Very high135 Ų13545.9 Ų45.951%0.50922%0.219SC..Hα-helixtrans-65.6-56.8178.7176.4175.8173.9179.4-2.2113.2F801 W805 C806 T807 D839 F842F801-R803 VanDerWaalsContact C-N 3.31Å; F801-R803 PolarHBondContact O-N 2.86Å; R803-W805 VanDerWaalsContact C-N 3.29Å; R803-W805 PolarHBondContact O-N 3.49Å; R803-C806 PolarHBondContact O-N 3.5Å; R803-T807 PolarHBondContact O-N 2.94Å; R803-T807 VanDerWaalsContact O-N 3.16Å; R803-T807 PolarHBondContact O-OG1 2.75Å; R803-D839 HydrophobicContact CB-CB 4.14Å; R803-D839 WeakPolarHBondContact CD-OD1 3.27Å; R803-F842 HydrophobicContact CB-CD2 4.45Å; R803-F842 HydrophobicContact CG-CD1 4.18Å; R803-F842 HydrophobicContact CG-CD2 3.92Å; R803-F842 HydrophobicContact CG-CE1 4.16Å; R803-F842 HydrophobicContact CG-CE2 3.9Å; R803-F842 HydrophobicContact CG-CG 4.07Å; R803-F842 HydrophobicContact CG-CZ 4.04Å; R803-F842 VanDerWaalsContact NE-CZ 3.32Å
804P97.3Very high95.6Very high30 Ų3045.8 Ų45.820%0.19522%0.22CC..Hα-helixtrans-64-3717726.3-35.4000111.2I766 F801 C806 T807 S808I766-P804 HydrophobicContact CG1-CB 4.05Å; I766-P804 HydrophobicContact CG1-CG 4.17Å; I766-P804 HydrophobicContact CG2-CG 4.3Å; I766-P804 WeakPolarHBondContact O-CB 3.47Å; F801-P804 WeakPolarHBondContact O-CD 3.49Å; F801-P804 VanDerWaalsContact O-CG 3.29Å; F801-P804 WeakPolarHBondContact O-CG 3.4Å; P804-C806 PolarHBondContact O-N 3.1Å; P804-T807 CarbonylContact O-C 3.47Å; P804-T807 WeakPolarHBondContact O-CA 3.45Å; P804-T807 WeakPolarHBondContact O-CB 3.42Å; P804-T807 PolarHBondContact O-N 3.37Å; P804-S808 PolarHBondContact O-N 3.21Å; P804-S808 PolarHBondContact O-OG 3.4Å; P804-S808 VanDerWaalsContact O-OG 3.04Å
805W98.2Very high95.3Very high0 Ų048.1 Ų48.10%023%0.233CC..Hα-helixtrans-53.5-49.3173.7-173.8101.7000113.3I766 A780 F801 I802 R803 T807 S808 L809 A821 F822 I825I766-W805 HydrophobicContact CD1-CB 3.88Å; I766-W805 HydrophobicContact CD1-CG 4.5Å; A780-W805 HydrophobicContact CB-CG 4.04Å; A780-W805 PolarHBondContact O-NE1 3.2Å; F801-W805 HydrophobicContact CD2-CB 4.15Å; F801-W805 HydrophobicContact CD2-CG 4.4Å; F801-W805 WeakPolarHBondContact O-CB 3.35Å; F801-W805 PolarHBondContact O-N 2.9Å; I802-W805 HydrophobicContact CD1-CE3 4.38Å; R803-W805 VanDerWaalsContact C-N 3.29Å; R803-W805 PolarHBondContact O-N 3.49Å; W805-T807 VanDerWaalsContact C-N 3.26Å; W805-T807 PolarHBondContact O-N 2.72Å; W805-S808 PolarHBondContact O-N 2.94Å; W805-L809 HydrophobicContact CD2-CD1 4.26Å; W805-L809 HydrophobicContact CH2-CD1 3.62Å; W805-L809 HydrophobicContact CZ2-CD1 3.25Å; W805-L809 HydrophobicContact CZ2-CG 4.37Å; W805-L809 HydrophobicContact CZ3-CD1 4.27Å; W805-L809 PolarHBondContact O-N 3.29Å; W805-L809 VanDerWaalsContact O-N 3.14Å; W805-A821 HydrophobicContact CZ2-CB 3.94Å; W805-F822 HydrophobicContact CH2-CD1 4.01Å; W805-F822 AromaticContact CH2-CD2 3.57Å; W805-F822 HydrophobicContact CH2-CD2 3.57Å; W805-F822 HydrophobicContact CH2-CE1 4.12Å; W805-F822 AromaticContact CH2-CE2 3.69Å; W805-F822 HydrophobicContact CH2-CE2 3.69Å; W805-F822 AromaticContact CH2-CG 3.77Å; W805-F822 HydrophobicContact CH2-CG 3.77Å; W805-F822 AromaticContact CH2-CZ 3.98Å; W805-F822 HydrophobicContact CH2-CZ 3.98Å; W805-F822 HydrophobicContact CZ2-CD2 4.41Å; W805-F822 HydrophobicContact CZ3-CD1 4.34Å; W805-F822 HydrophobicContact CZ3-CD2 4.37Å; W805-F822 HydrophobicContact CZ3-CE1 4.06Å; W805-F822 HydrophobicContact CZ3-CE2 4.1Å; W805-F822 AromaticContact CZ3-CZ 3.96Å; W805-F822 HydrophobicContact CZ3-CZ 3.96Å; W805-I825 HydrophobicContact CD2-CD1 3.78Å; W805-I825 HydrophobicContact CD2-CG1 3.77Å; W805-I825 VanDerWaalsContact CE2-CG1 3.4Å; W805-I825 HydrophobicContact CE3-CD1 4.17Å; W805-I825 HydrophobicContact CE3-CG1 3.83Å; W805-I825 HydrophobicContact CG-CD1 4.22Å; W805-I825 HydrophobicContact CH2-CB 4.16Å; W805-I825 HydrophobicContact CH2-CD1 4.38Å; W805-I825 HydrophobicContact CH2-CG1 3.31Å; W805-I825 HydrophobicContact CZ2-CB 4.35Å; W805-I825 HydrophobicContact CZ2-CD1 3.94Å; W805-I825 HydrophobicContact CZ2-CG1 3.16Å; W805-I825 HydrophobicContact CZ3-CB 4.46Å; W805-I825 HydrophobicContact CZ3-CD1 4.48Å; W805-I825 HydrophobicContact CZ3-CG1 3.65Å
806C98.1Very high95.1Very high2 Ų254.4 Ų54.41%0.01426%0.262CS..Hα-helixtrans-64.8-34.7178.1-75.50000112I802 R803 P804 R810 F842 F843 A846I802-C806 WeakPolarHBondContact O-CB 3.5Å; I802-C806 PolarHBondContact O-N 3.15Å; I802-C806 PolarHBondContact O-SG 3.04Å; R803-C806 PolarHBondContact O-N 3.5Å; P804-C806 PolarHBondContact O-N 3.1Å; C806-R810 WeakPolarHBondContact O-CB 3.38Å; C806-R810 WeakPolarHBondContact O-CG 3.17Å; C806-R810 PolarHBondContact O-N 3.09Å; C806-F842 HydrophobicContact CB-CB 3.81Å; C806-F842 WeakPolarHBondContact CB-O 3.13Å; C806-F843 VanDerWaalsContact SG-CA 3.54Å; C806-A846 HydrophobicContact CB-CB 3.9Å
807T95.4Very high94.9Very high68 Ų6852.2 Ų52.242%0.41724%0.244SC..Hα-helixtrans-72.7-34.3-179.5-54.40000111.4R803 P804 W805 R810R803-T807 PolarHBondContact O-N 2.94Å; R803-T807 VanDerWaalsContact O-N 3.16Å; R803-T807 PolarHBondContact O-OG1 2.75Å; P804-T807 CarbonylContact O-C 3.47Å; P804-T807 WeakPolarHBondContact O-CA 3.45Å; P804-T807 WeakPolarHBondContact O-CB 3.42Å; P804-T807 PolarHBondContact O-N 3.37Å; W805-T807 VanDerWaalsContact C-N 3.26Å; W805-T807 PolarHBondContact O-N 2.72Å; T807-R810 VanDerWaalsContact O-CG 3.24Å; T807-R810 WeakPolarHBondContact O-CG 3.5Å
808S95.7Very high94.8Very high14 Ų1451.2 Ų51.210%0.09824%0.24CC..Hα-helixtrans-69.6-47.2175.3-56.60000112P804 W805P804-S808 PolarHBondContact O-N 3.21Å; P804-S808 PolarHBondContact O-OG 3.4Å; P804-S808 VanDerWaalsContact O-OG 3.04Å; W805-S808 PolarHBondContact O-N 2.94Å
809L95.7Very high94.8Very high0 Ų051.9 Ų51.90%024%0.243CC..Hα-helixtrans-90-7.9-172-55.9-169.1000115.5A780 I781 W805 N811 I812 K818 A821 F822A780-L809 HydrophobicContact CB-CD1 4.12Å; A780-L809 HydrophobicContact CB-CD2 3.77Å; A780-L809 HydrophobicContact CB-CG 3.76Å; I781-L809 HydrophobicContact CD1-CD2 4.23Å; I781-L809 HydrophobicContact CG1-CD1 4.24Å; I781-L809 HydrophobicContact CG1-CD2 3.86Å; W805-L809 HydrophobicContact CD2-CD1 4.26Å; W805-L809 HydrophobicContact CH2-CD1 3.62Å; W805-L809 HydrophobicContact CZ2-CD1 3.25Å; W805-L809 HydrophobicContact CZ2-CG 4.37Å; W805-L809 HydrophobicContact CZ3-CD1 4.27Å; W805-L809 PolarHBondContact O-N 3.29Å; W805-L809 VanDerWaalsContact O-N 3.14Å; L809-N811 PolarHBondContact O-N 2.91Å; L809-I812 HydrophobicContact CD2-CD1 3.4Å; L809-I812 VanDerWaalsContact CD2-CD1 3.4Å; L809-I812 HydrophobicContact CD2-CG1 4.45Å; L809-I812 PolarHBondContact O-N 3.28Å; L809-K818 WeakPolarHBondContact O-CE 3.17Å; L809-A821 HydrophobicContact CD1-CB 3.87Å; L809-F822 HydrophobicContact CB-CE2 3.89Å; L809-F822 HydrophobicContact CB-CZ 4.46Å; L809-F822 HydrophobicContact CD1-CD2 4.46Å; L809-F822 HydrophobicContact CD1-CE2 4.22Å
810R92.1Very high94.7Very high102 Ų10248.2 Ų48.239%0.38523%0.227SC..THydrogen-bonded Turntrans-65.5-24.8179.457.1167.7-84.1163.95.1113.9C806 T807 D845 S849C806-R810 WeakPolarHBondContact O-CB 3.38Å; C806-R810 WeakPolarHBondContact O-CG 3.17Å; C806-R810 PolarHBondContact O-N 3.09Å; T807-R810 VanDerWaalsContact O-CG 3.24Å; T807-R810 WeakPolarHBondContact O-CG 3.5Å; R810-D845 IonicContact CZ-OD2 2.96Å; R810-D845 VanDerWaalsContact CZ-OD2 3.3Å; R810-D845 IonicContact NE-OD2 3.9Å; R810-D845 IonicContact NH1-OD2 3.09Å; R810-D845 PolarHBondContact NH1-OD2 3.42Å; R810-S849 WeakPolarHBondContact O-CB 3.36Å; R810-S849 PolarHBondContact O-OG 2.98Å
811N86.5Confident94.8Very high109 Ų10943.1 Ų43.158%0.58320%0.204SC*.THydrogen-bonded Turntrans-101.8-0.9-174.9-63.1-22.4000112.5L809L809-N811 PolarHBondContact O-N 2.91Å
812I88.2Confident94.8Very high8 Ų843.1 Ų43.14%0.04120%0.204CC..SBendtrans-82140.7178.2-53.4-174000109.8Q355 E777 I781 L809 K818Q355-I812 VanDerWaalsContact OE1-CG2 3.28Å; E777-I812 HydrophobicContact CB-CD1 3.81Å; E777-I812 HydrophobicContact CG-CD1 3.67Å; E777-I812 HydrophobicContact CG-CG1 4.23Å; I781-I812 HydrophobicContact CD1-CD1 4.47Å; L809-I812 HydrophobicContact CD2-CD1 3.4Å; L809-I812 VanDerWaalsContact CD2-CD1 3.4Å; L809-I812 HydrophobicContact CD2-CG1 4.45Å; L809-I812 PolarHBondContact O-N 3.28Å; I812-K818 HydrophobicContact CB-CD 4.4Å; I812-K818 WeakPolarHBondContact O-CE 3.38Å; I812-K818 PolarHBondContact O-NZ 3.44Å
813R88.9Confident94.8Very high135 Ų13544.3 Ų44.351%0.50921%0.208SC..  trans-60.7159.6171.6-65.6-179.1179.6-175.1-0.2111E358 E359 N815 K818E358-R813 IonicContact OE2-CZ 3.52Å; E358-R813 IonicContact OE2-NH1 3.36Å; E358-R813 PolarHBondContact OE2-NH1 3.38Å; E358-R813 IonicContact OE2-NH2 3.43Å; E358-R813 PolarHBondContact OE2-NH2 3.45Å; E359-R813 IonicContact OE2-NH2 2.65Å; R813-N815 PolarHBondContact O-N 3.25Å; R813-N815 VanDerWaalsContact O-N 3.13Å; R813-K818 WeakPolarHBondContact O-CD 3.31Å
814D92.5Very high94.8Very high54 Ų5437.9 Ų37.929%0.28918%0.184SC..SBendtrans-73.8107.2-179.1-66-9.7000110.2K818 W850 I851 N852D814-K818 IonicContact OD1-NZ 3.64Å; D814-K818 PolarHBondContact OD1-NZ 3.11Å; D814-W850 HydrophobicContact CB-CE3 3.97Å; D814-W850 HydrophobicContact CB-CZ3 3.8Å; D814-I851 PolarHBondContact OD2-N 3.01Å; D814-N852 PolarHBondContact OD2-N 2.91Å
815N92.4Very high94.9Very high49 Ų4936.4 Ų36.426%0.26217%0.174SC..  trans-133.3178.6178.16413.1000112Q355 R813 E817 K818 D819Q355-N815 PolarHBondContact OE1-ND2 3.4Å; R813-N815 PolarHBondContact O-N 3.25Å; R813-N815 VanDerWaalsContact O-N 3.13Å; N815-E817 VanDerWaalsContact C-N 3.35Å; N815-K818 WeakPolarHBondContact OD1-CB 3.39Å; N815-K818 PolarHBondContact OD1-N 3.23Å; N815-D819 WeakPolarHBondContact O-CB 3.3Å; N815-D819 PolarHBondContact O-N 3.3Å
816E93Very high94.9Very high133 Ų13336.4 Ų36.462%0.62117%0.174SC*.Hα-helixtrans-68.9-34.6-176.8-62-163.1149.600112.4D819 S820E816-D819 PolarHBondContact O-N 2.98Å; E816-S820 WeakPolarHBondContact O-CB 3.42Å; E816-S820 PolarHBondContact O-N 3.29Å; E816-S820 PolarHBondContact O-OG 2.98Å
817E94.2Very high94.9Very high38 Ų3838 Ų3818%0.17818%0.184CC..Hα-helixtrans-61.4-53.9176.3-66.667-154.100110.1K704 I781 N815 D819 S820 A821K704-E817 IonicContact NZ-OE1 2.74Å; I781-E817 HydrophobicContact CD1-CB 3.97Å; I781-E817 HydrophobicContact CG1-CB 4.42Å; I781-E817 HydrophobicContact CG2-CB 4.17Å; N815-E817 VanDerWaalsContact C-N 3.35Å; E817-D819 PolarHBondContact O-N 3.18Å; E817-S820 PolarHBondContact O-N 3.35Å; E817-S820 PolarHBondContact O-OG 3.43Å; E817-A821 WeakPolarHBondContact O-CB 3.27Å; E817-A821 PolarHBondContact O-N 3.49Å
818K95.7Very high95Very high2 Ų234.7 Ų34.71%0.00916%0.164CC..Hα-helixtrans-59.6-43.8175.2-167.3-170.6176.7-176.30111L809 I812 R813 D814 N815 S820 A821 F822 W850L809-K818 WeakPolarHBondContact O-CE 3.17Å; I812-K818 HydrophobicContact CB-CD 4.4Å; I812-K818 WeakPolarHBondContact O-CE 3.38Å; I812-K818 PolarHBondContact O-NZ 3.44Å; R813-K818 WeakPolarHBondContact O-CD 3.31Å; D814-K818 IonicContact OD1-NZ 3.64Å; D814-K818 PolarHBondContact OD1-NZ 3.11Å; N815-K818 WeakPolarHBondContact OD1-CB 3.39Å; N815-K818 PolarHBondContact OD1-N 3.23Å; K818-S820 PolarHBondContact O-N 3Å; K818-A821 PolarHBondContact O-N 2.87Å; K818-F822 HydrophobicContact CD-CE2 4.34Å; K818-F822 HydrophobicContact CG-CD2 3.76Å; K818-F822 HydrophobicContact CG-CE2 3.66Å; K818-F822 VanDerWaalsContact O-CD2 3.27Å; K818-F822 WeakPolarHBondContact O-CD2 3.45Å; K818-F822 PolarHBondContact O-N 3.1Å; K818-W850 HydrophobicContact CB-CH2 4.17Å; K818-W850 HydrophobicContact CB-CZ2 4.2Å; K818-W850 HydrophobicContact CD-CH2 4.02Å; K818-W850 HydrophobicContact CD-CZ2 3.76Å; K818-W850 HydrophobicContact CG-CH2 3.95Å; K818-W850 HydrophobicContact CG-CZ2 3.55Å
819D97.3Very high95.1Very high14 Ų1434.2 Ų34.28%0.07516%0.16CC..Hα-helixtrans-58.6-50.7178.1178.1-82.6000111.3N815 E816 E817 A821 F822 R823 W850 L857N815-D819 WeakPolarHBondContact O-CB 3.3Å; N815-D819 PolarHBondContact O-N 3.3Å; E816-D819 PolarHBondContact O-N 2.98Å; E817-D819 PolarHBondContact O-N 3.18Å; D819-A821 VanDerWaalsContact C-N 3.34Å; D819-A821 PolarHBondContact O-N 2.66Å; D819-F822 PolarHBondContact O-N 2.63Å; D819-R823 WeakPolarHBondContact O-CG 3.2Å; D819-R823 PolarHBondContact O-N 2.95Å; D819-R823 IonicContact OD1-CZ 3.8Å; D819-R823 IonicContact OD1-NE 2.73Å; D819-R823 PolarHBondContact OD1-NE 3.2Å; D819-R823 IonicContact OD1-NH2 3.33Å; D819-R823 PolarHBondContact OD1-NH2 3.12Å; D819-R823 IonicContact OD2-NE 3.13Å; D819-R823 IonicContact OD2-NH2 2.72Å; D819-R823 PolarHBondContact OD2-NH2 3.47Å; D819-W850 HydrophobicContact CB-CH2 3.95Å; D819-L857 HydrophobicContact CB-CD2 4.44Å; D819-L857 WeakPolarHBondContact OD2-CD2 3.36Å
820S97.4Very high95.1Very high13 Ų1338.5 Ų38.59%0.09119%0.19CC..Hα-helixtrans-62.2-39.7178.469.60000112.7R785 E816 E817 K818 R823 G824R785-S820 WeakPolarHBondContact CG-OG 3.32Å; R785-S820 PolarHBondContact NE-OG 3.37Å; E816-S820 WeakPolarHBondContact O-CB 3.42Å; E816-S820 PolarHBondContact O-N 3.29Å; E816-S820 PolarHBondContact O-OG 2.98Å; E817-S820 PolarHBondContact O-N 3.35Å; E817-S820 PolarHBondContact O-OG 3.43Å; K818-S820 PolarHBondContact O-N 3Å; S820-R823 PolarHBondContact O-N 3.45Å; S820-G824 PolarHBondContact O-N 2.99Å
821A98.1Very high95.3Very high0 Ų036.2 Ų36.20%019%0.187CC..Hα-helixtrans-66.2-44.1179.100000112I781 W805 L809 E817 K818 D819 G824 I825I781-A821 HydrophobicContact CB-CB 4.39Å; I781-A821 HydrophobicContact CG1-CB 4.2Å; W805-A821 HydrophobicContact CZ2-CB 3.94Å; L809-A821 HydrophobicContact CD1-CB 3.87Å; E817-A821 WeakPolarHBondContact O-CB 3.27Å; E817-A821 PolarHBondContact O-N 3.49Å; K818-A821 PolarHBondContact O-N 2.87Å; D819-A821 VanDerWaalsContact C-N 3.34Å; D819-A821 PolarHBondContact O-N 2.66Å; A821-G824 WeakPolarHBondContact O-CA 3.27Å; A821-G824 PolarHBondContact O-N 3.25Å; A821-I825 PolarHBondContact O-N 3.08Å; A821-I825 VanDerWaalsContact O-N 3.09Å
822F98.4Very high95.8Very high0 Ų032.5 Ų32.50%017%0.167CC..Hα-helixtrans-68.1-35.9177.5-88.3-99.9000112.5W805 L809 K818 D819 G824 I825 C826 A846 V847 W850 L857 F861W805-F822 HydrophobicContact CH2-CD1 4.01Å; W805-F822 AromaticContact CH2-CD2 3.57Å; W805-F822 HydrophobicContact CH2-CD2 3.57Å; W805-F822 HydrophobicContact CH2-CE1 4.12Å; W805-F822 AromaticContact CH2-CE2 3.69Å; W805-F822 HydrophobicContact CH2-CE2 3.69Å; W805-F822 AromaticContact CH2-CG 3.77Å; W805-F822 HydrophobicContact CH2-CG 3.77Å; W805-F822 AromaticContact CH2-CZ 3.98Å; W805-F822 HydrophobicContact CH2-CZ 3.98Å; W805-F822 HydrophobicContact CZ2-CD2 4.41Å; W805-F822 HydrophobicContact CZ3-CD1 4.34Å; W805-F822 HydrophobicContact CZ3-CD2 4.37Å; W805-F822 HydrophobicContact CZ3-CE1 4.06Å; W805-F822 HydrophobicContact CZ3-CE2 4.1Å; W805-F822 AromaticContact CZ3-CZ 3.96Å; W805-F822 HydrophobicContact CZ3-CZ 3.96Å; L809-F822 HydrophobicContact CB-CE2 3.89Å; L809-F822 HydrophobicContact CB-CZ 4.46Å; L809-F822 HydrophobicContact CD1-CD2 4.46Å; L809-F822 HydrophobicContact CD1-CE2 4.22Å; K818-F822 HydrophobicContact CD-CE2 4.34Å; K818-F822 HydrophobicContact CG-CD2 3.76Å; K818-F822 HydrophobicContact CG-CE2 3.66Å; K818-F822 VanDerWaalsContact O-CD2 3.27Å; K818-F822 WeakPolarHBondContact O-CD2 3.45Å; K818-F822 PolarHBondContact O-N 3.1Å; D819-F822 PolarHBondContact O-N 2.63Å; F822-G824 PolarHBondContact O-N 3.03Å; F822-I825 PolarHBondContact O-N 2.9Å; F822-C826 WeakPolarHBondContact O-CB 3.34Å; F822-C826 PolarHBondContact O-N 2.79Å; F822-C826 PolarHBondContact O-SG 2.82Å; F822-A846 HydrophobicContact CE1-CB 3.97Å; F822-A846 HydrophobicContact CZ-CB 3.86Å; F822-V847 HydrophobicContact CE1-CG2 4.4Å; F822-W850 HydrophobicContact CB-CZ2 4.08Å; F822-W850 AromaticContact CD1-NE1 3.44Å; F822-W850 AromaticContact CD2-CE2 3.94Å; F822-W850 AromaticContact CD2-CZ2 3.66Å; F822-W850 HydrophobicContact CD2-CZ2 3.66Å; F822-W850 AromaticContact CD2-NE1 3.61Å; F822-W850 AromaticContact CE1-CD1 3.99Å; F822-W850 AromaticContact CE1-NE1 3.33Å; F822-W850 VanDerWaalsContact CE1-NE1 3.33Å; F822-W850 HydrophobicContact CE2-CZ2 4.18Å; F822-W850 AromaticContact CE2-NE1 3.5Å; F822-W850 AromaticContact CG-CZ2 3.86Å; F822-W850 HydrophobicContact CG-CZ2 3.86Å; F822-W850 AromaticContact CG-NE1 3.56Å; F822-W850 AromaticContact CZ-NE1 3.34Å; F822-W850 VanDerWaalsContact CZ-NE1 3.34Å; F822-L857 HydrophobicContact CB-CD1 4.2Å; F822-L857 HydrophobicContact CB-CD2 4.36Å; F822-F861 HydrophobicContact CB-CE1 4.12Å; F822-F861 HydrophobicContact CB-CZ 4.01Å; F822-F861 AromaticContact CD1-CE1 3.66Å; F822-F861 HydrophobicContact CD1-CE1 3.66Å; F822-F861 AromaticContact CD1-CZ 3.58Å; F822-F861 HydrophobicContact CD1-CZ 3.58Å; F822-F861 HydrophobicContact CE1-CZ 4.37Å; F822-F861 HydrophobicContact CG-CE1 4.33Å; F822-F861 HydrophobicContact CG-CZ 4.08Å
823R98.1Very high96.1Very high24 Ų2434.7 Ų34.79%0.09118%0.182CC..Hα-helixtrans-57.2-40170.3-72.4174.4-171.5-81.6-10.5111.4Y788 D819 S820 C826 T827 D856 L857 M860Y788-R823 HydrophobicContact CD2-CB 3.86Å; Y788-R823 HydrophobicContact CE2-CB 3.85Å; Y788-R823 HydrophobicContact CG-CB 4.29Å; D819-R823 WeakPolarHBondContact O-CG 3.2Å; D819-R823 PolarHBondContact O-N 2.95Å; D819-R823 IonicContact OD1-CZ 3.8Å; D819-R823 IonicContact OD1-NE 2.73Å; D819-R823 PolarHBondContact OD1-NE 3.2Å; D819-R823 IonicContact OD1-NH2 3.33Å; D819-R823 PolarHBondContact OD1-NH2 3.12Å; D819-R823 IonicContact OD2-NE 3.13Å; D819-R823 IonicContact OD2-NH2 2.72Å; D819-R823 PolarHBondContact OD2-NH2 3.47Å; S820-R823 PolarHBondContact O-N 3.45Å; R823-C826 PolarHBondContact O-N 3.03Å; R823-T827 WeakPolarHBondContact O-CB 3.17Å; R823-T827 PolarHBondContact O-N 3.06Å; R823-T827 PolarHBondContact O-OG1 3.43Å; R823-D856 IonicContact CZ-OD1 2.71Å; R823-D856 IonicContact CZ-OD2 2.77Å; R823-D856 VanDerWaalsContact NH1-CG 3.34Å; R823-D856 IonicContact NH1-OD1 3.81Å; R823-D856 IonicContact NH1-OD2 3.51Å; R823-D856 PolarHBondContact NH1-OD2 3.11Å; R823-D856 VanDerWaalsContact NH2-CG 3.29Å; R823-D856 IonicContact NH2-OD1 3.71Å; R823-D856 PolarHBondContact NH2-OD1 3Å; R823-D856 IonicContact NH2-OD2 3.57Å; R823-D856 PolarHBondContact NH2-OD2 3.3Å; R823-D856 VanDerWaalsContact NH2-OD2 3.14Å; R823-L857 HydrophobicContact CG-CD1 3.94Å; R823-M860 HydrophobicContact CG-SD 4.22Å
824G98.2Very high96.4Very high0 Ų031.9 Ų31.90%018%0.183CC..Hα-helixtrans-59.8-52.217400000113.8G784 S820 A821 F822 C826 T827 M828G784-G824 VanDerWaalsContact O-CA 3.24Å; G784-G824 WeakPolarHBondContact O-CA 3.34Å; S820-G824 PolarHBondContact O-N 2.99Å; A821-G824 WeakPolarHBondContact O-CA 3.27Å; A821-G824 PolarHBondContact O-N 3.25Å; F822-G824 PolarHBondContact O-N 3.03Å; G824-C826 VanDerWaalsContact C-N 3.33Å; G824-C826 PolarHBondContact O-N 3.44Å; G824-T827 PolarHBondContact O-N 3.33Å; G824-M828 WeakPolarHBondContact O-CG 3.32Å; G824-M828 PolarHBondContact O-N 3.35Å
825I98.3Very high96.5Very high0 Ų029.4 Ų29.40%017%0.17CC..Hα-helixtrans-58.4-45.7176-66.6-58.2000111.4L798 F801 I802 W805 A821 F822 T827 M828 I829 F843L798-I825 HydrophobicContact CD1-CD1 4.19Å; F801-I825 HydrophobicContact CE2-CD1 3.95Å; I802-I825 HydrophobicContact CD1-CD1 4.05Å; I802-I825 HydrophobicContact CD1-CG2 3.95Å; W805-I825 HydrophobicContact CD2-CD1 3.78Å; W805-I825 HydrophobicContact CD2-CG1 3.77Å; W805-I825 VanDerWaalsContact CE2-CG1 3.4Å; W805-I825 HydrophobicContact CE3-CD1 4.17Å; W805-I825 HydrophobicContact CE3-CG1 3.83Å; W805-I825 HydrophobicContact CG-CD1 4.22Å; W805-I825 HydrophobicContact CH2-CB 4.16Å; W805-I825 HydrophobicContact CH2-CD1 4.38Å; W805-I825 HydrophobicContact CH2-CG1 3.31Å; W805-I825 HydrophobicContact CZ2-CB 4.35Å; W805-I825 HydrophobicContact CZ2-CD1 3.94Å; W805-I825 HydrophobicContact CZ2-CG1 3.16Å; W805-I825 HydrophobicContact CZ3-CB 4.46Å; W805-I825 HydrophobicContact CZ3-CD1 4.48Å; W805-I825 HydrophobicContact CZ3-CG1 3.65Å; A821-I825 PolarHBondContact O-N 3.08Å; A821-I825 VanDerWaalsContact O-N 3.09Å; F822-I825 PolarHBondContact O-N 2.9Å; I825-T827 VanDerWaalsContact C-N 3.28Å; I825-T827 PolarHBondContact O-N 2.84Å; I825-M828 HydrophobicContact CD1-CE 3.36Å; I825-M828 HydrophobicContact CG1-CE 4.29Å; I825-M828 PolarHBondContact O-N 2.61Å; I825-I829 HydrophobicContact CG2-CD1 3.62Å; I825-I829 HydrophobicContact CG2-CG1 4.21Å; I825-I829 VanDerWaalsContact O-CG1 3.3Å; I825-I829 WeakPolarHBondContact O-CG1 3.46Å; I825-I829 PolarHBondContact O-N 3.27Å; I825-F843 HydrophobicContact CG2-CD2 3.85Å; I825-F843 HydrophobicContact CG2-CE2 3.62Å
826C98.4Very high96.6Very high0 Ų027 Ų270%016%0.158CC..Hα-helixtrans-61.3-38.3179.2-70.30000112.5F822 R823 G824 S830 M860 F861 I864F822-C826 WeakPolarHBondContact O-CB 3.34Å; F822-C826 PolarHBondContact O-N 2.79Å; F822-C826 PolarHBondContact O-SG 2.82Å; R823-C826 PolarHBondContact O-N 3.03Å; G824-C826 VanDerWaalsContact C-N 3.33Å; G824-C826 PolarHBondContact O-N 3.44Å; C826-S830 PolarHBondContact O-N 3.48Å; C826-S830 VanDerWaalsContact O-N 3.16Å; C826-S830 PolarHBondContact O-OG 3.49Å; C826-M860 HydrophobicContact CB-CB 4.02Å; C826-M860 HydrophobicContact CB-CE 3.51Å; C826-M860 HydrophobicContact CB-SD 4.27Å; C826-F861 VanDerWaalsContact SG-CD1 3.56Å; C826-F861 VanDerWaalsContact SG-CE1 3.58Å; C826-I864 HydrophobicContact CB-CD1 3.62Å; C826-I864 VanDerWaalsContact SG-CD1 3.59Å
827T97.9Very high96.6Very high34 Ų3425.3 Ų25.321%0.20915%0.152CC..Hα-helixtrans-68.2-43.6176.4-540000110.8P791 R823 G824 I825 S830 V831P791-T827 HydrophobicContact CB-CG2 3.67Å; P791-T827 HydrophobicContact CG-CG2 3.79Å; R823-T827 WeakPolarHBondContact O-CB 3.17Å; R823-T827 PolarHBondContact O-N 3.06Å; R823-T827 PolarHBondContact O-OG1 3.43Å; G824-T827 PolarHBondContact O-N 3.33Å; I825-T827 VanDerWaalsContact C-N 3.28Å; I825-T827 PolarHBondContact O-N 2.84Å; T827-S830 WeakPolarHBondContact O-CB 3.37Å; T827-S830 PolarHBondContact O-N 2.87Å; T827-V831 PolarHBondContact O-N 2.89Å
828M98.4Very high96.5Very high0 Ų030.5 Ų30.50%018%0.176CC..Hα-helixtrans-63.5-41.3175.9-72.9-169.5-75.200112.9V794 A795 L798 F801 G824 I825 S830 V831 N832V794-M828 HydrophobicContact CB-SD 3.65Å; V794-M828 HydrophobicContact CG1-CE 4.35Å; V794-M828 HydrophobicContact CG1-SD 3.33Å; V794-M828 WeakPolarHBondContact CG1-SD 3.05Å; A795-M828 HydrophobicContact CB-CB 3.88Å; A795-M828 HydrophobicContact CB-CG 4.01Å; L798-M828 HydrophobicContact CD1-CB 4.44Å; L798-M828 HydrophobicContact CD1-CE 4.36Å; L798-M828 HydrophobicContact CD2-CB 4.46Å; F801-M828 HydrophobicContact CE2-CE 4.2Å; F801-M828 HydrophobicContact CZ-CE 3.97Å; F801-M828 HydrophobicContact CZ-SD 4.08Å; G824-M828 WeakPolarHBondContact O-CG 3.32Å; G824-M828 PolarHBondContact O-N 3.35Å; I825-M828 HydrophobicContact CD1-CE 3.36Å; I825-M828 HydrophobicContact CG1-CE 4.29Å; I825-M828 PolarHBondContact O-N 2.61Å; M828-S830 PolarHBondContact O-N 3.46Å; M828-V831 PolarHBondContact O-N 3.47Å; M828-N832 PolarHBondContact O-N 2.9Å
829I97.9Very high96.4Very high4 Ų431.6 Ų31.62%0.02118%0.182CC..Hα-helixtrans-61.3-36.7175-70.2168.7000110.5L798 I825 V831 N832 P833 V836 F843 I864 F868L798-I829 HydrophobicContact CD2-CG1 3.87Å; I825-I829 HydrophobicContact CG2-CD1 3.62Å; I825-I829 HydrophobicContact CG2-CG1 4.21Å; I825-I829 VanDerWaalsContact O-CG1 3.3Å; I825-I829 WeakPolarHBondContact O-CG1 3.46Å; I825-I829 PolarHBondContact O-N 3.27Å; I829-V831 PolarHBondContact O-N 3.23Å; I829-N832 CarbonylContact O-C 3.21Å; I829-P833 VanDerWaalsContact O-CA 3.25Å; I829-P833 WeakPolarHBondContact O-CA 3.39Å; I829-P833 VanDerWaalsContact O-CD 3.23Å; I829-P833 WeakPolarHBondContact O-CD 3.5Å; I829-P833 VanDerWaalsContact O-CG 3.23Å; I829-P833 WeakPolarHBondContact O-CG 3.26Å; I829-V836 HydrophobicContact CD1-CB 4.44Å; I829-V836 HydrophobicContact CD1-CG1 4.24Å; I829-V836 HydrophobicContact CD1-CG2 4.38Å; I829-V836 HydrophobicContact CG1-CB 4.29Å; I829-V836 HydrophobicContact CG1-CG1 4.05Å; I829-V836 HydrophobicContact CG2-CG1 4.2Å; I829-F843 HydrophobicContact CD1-CD1 4.33Å; I829-F843 HydrophobicContact CD1-CD2 3.84Å; I829-F843 HydrophobicContact CD1-CE1 4.13Å; I829-F843 HydrophobicContact CD1-CE2 3.62Å; I829-F843 HydrophobicContact CD1-CG 4.19Å; I829-F843 HydrophobicContact CD1-CZ 3.76Å; I829-I864 HydrophobicContact CB-CD1 4.17Å; I829-I864 HydrophobicContact CD1-CD1 4.2Å; I829-I864 HydrophobicContact CD1-CG2 4.46Å; I829-I864 HydrophobicContact CG2-CD1 4.14Å; I829-I864 HydrophobicContact CG2-CG1 4.22Å; I829-I864 HydrophobicContact CG2-CG2 3.97Å; I829-F868 HydrophobicContact CG2-CE2 4.02Å
830S95.9Very high96.3Very high90 Ų9031.2 Ų31.263%0.62918%0.179SC*.Hα-helixtrans-66.4-26.7176.7-57.90000112.8C826 T827 M828C826-S830 PolarHBondContact O-N 3.48Å; C826-S830 VanDerWaalsContact O-N 3.16Å; C826-S830 PolarHBondContact O-OG 3.49Å; T827-S830 WeakPolarHBondContact O-CB 3.37Å; T827-S830 PolarHBondContact O-N 2.87Å; M828-S830 PolarHBondContact O-N 3.46Å
831V96.8Very high96.2Very high54 Ų5432.8 Ų32.833%0.32719%0.187SC..Hα-helixtrans-88.4-42.6177.3174.90000112.3P791 A795 T827 M828 I829P791-V831 HydrophobicContact CB-CG2 4.1Å; A795-V831 HydrophobicContact CB-CB 4.01Å; A795-V831 HydrophobicContact CB-CG1 3.96Å; T827-V831 PolarHBondContact O-N 2.89Å; M828-V831 PolarHBondContact O-N 3.47Å; I829-V831 PolarHBondContact O-N 3.23Å
832N97.1Very high96Very high31 Ų3135.4 Ų35.417%0.16620%0.198CC..  trans-128.475.5178.6-177.912.5000111.3A795 M828 I829 S834 G835A795-N832 HydrophobicContact CB-CB 3.86Å; A795-N832 PolarHBondContact O-ND2 3.15Å; M828-N832 PolarHBondContact O-N 2.9Å; I829-N832 CarbonylContact O-C 3.21Å; N832-S834 PolarHBondContact O-N 3.46Å; N832-S834 PolarHBondContact OD1-OG 2.94Å; N832-G835 PolarHBondContact O-N 3.37Å; N832-G835 PolarHBondContact OD1-N 3.14Å
833P94.5Very high96Very high53 Ų5335.4 Ų35.434%0.34420%0.198SC..G310 helixtrans-60.3-30.9178.7-21.830.2000112.8I829 G835 V836I829-P833 VanDerWaalsContact O-CA 3.25Å; I829-P833 WeakPolarHBondContact O-CA 3.39Å; I829-P833 VanDerWaalsContact O-CD 3.23Å; I829-P833 WeakPolarHBondContact O-CD 3.5Å; I829-P833 VanDerWaalsContact O-CG 3.23Å; I829-P833 WeakPolarHBondContact O-CG 3.26Å; P833-G835 PolarHBondContact O-N 3.23Å; P833-V836 PolarHBondContact O-N 3.01Å
834S94.7Very high95.9Very high76 Ų7634.3 Ų34.353%0.53119%0.194SC..G310 helixtrans-62.3-25.9176.833.80000113.7N832 V836 I837N832-S834 PolarHBondContact O-N 3.46Å; N832-S834 PolarHBondContact OD1-OG 2.94Å; S834-V836 PolarHBondContact O-N 3.28Å; S834-I837 PolarHBondContact O-N 3.23Å
835G94.2Very high95.7Very high2 Ų236.2 Ų36.22%0.02120%0.204CC..G310 helixtrans-66.5-20.8-176.400000114.5Q799 N832 P833Q799-G835 WeakPolarHBondContact CA-O 3.28Å; Q799-G835 WeakPolarHBondContact CB-O 3.17Å; Q799-G835 PolarHBondContact N-O 2.69Å; N832-G835 PolarHBondContact O-N 3.37Å; N832-G835 PolarHBondContact OD1-N 3.14Å; P833-G835 PolarHBondContact O-N 3.23Å
836V95Very high95.6Very high0 Ų036.2 Ų36.20%020%0.204CC..G310 helixtrans-106.2-8.5-178.569.50000113.6L798 I802 I829 P833 S834 Q838 D839 F840 F843 F868L798-V836 HydrophobicContact CD2-CB 4.4Å; I802-V836 HydrophobicContact CG1-CG2 3.85Å; I829-V836 HydrophobicContact CD1-CB 4.44Å; I829-V836 HydrophobicContact CD1-CG1 4.24Å; I829-V836 HydrophobicContact CD1-CG2 4.38Å; I829-V836 HydrophobicContact CG1-CB 4.29Å; I829-V836 HydrophobicContact CG1-CG1 4.05Å; I829-V836 HydrophobicContact CG2-CG1 4.2Å; P833-V836 PolarHBondContact O-N 3.01Å; S834-V836 PolarHBondContact O-N 3.28Å; V836-Q838 VanDerWaalsContact C-N 3.33Å; V836-Q838 PolarHBondContact O-N 3.09Å; V836-D839 CarbonylContact O-C 3.38Å; V836-D839 PolarHBondContact O-N 3.25Å; V836-D839 VanDerWaalsContact O-N 3.11Å; V836-F840 HydrophobicContact CG1-CD2 3.91Å; V836-F840 HydrophobicContact CG2-CB 4.45Å; V836-F840 HydrophobicContact CG2-CD2 3.98Å; V836-F840 WeakPolarHBondContact O-CA 3.5Å; V836-F840 WeakPolarHBondContact O-CB 3.31Å; V836-F840 PolarHBondContact O-N 2.89Å; V836-F843 HydrophobicContact CG2-CB 3.93Å; V836-F843 HydrophobicContact CG2-CG 4.42Å; V836-F868 HydrophobicContact CG1-CE1 4.34Å; V836-F868 HydrophobicContact CG1-CE2 3.85Å; V836-F868 HydrophobicContact CG1-CZ 3.41Å; V836-F868 VanDerWaalsContact CG1-CZ 3.41Å
837I92.4Very high95.6Very high96 Ų9636.2 Ų36.249%0.49220%0.204SC..G310 helixtrans-53.3-45.8-170.1-70175000113.1S834 D839 F868S834-I837 PolarHBondContact O-N 3.23Å; I837-D839 VanDerWaalsContact C-N 3.32Å; I837-D839 PolarHBondContact O-N 3.39Å; I837-F868 HydrophobicContact CG1-CE1 4.01Å; I837-F868 HydrophobicContact CG1-CZ 4.47Å
838Q91.2Very high95.4Very high148 Ų14834.8 Ų34.869%0.69220%0.196SC*.G310 helixtrans-70-30.5-174.8-68.2-176.1-7.400112.8V836V836-Q838 VanDerWaalsContact C-N 3.33Å; V836-Q838 PolarHBondContact O-N 3.09Å
839D94.3Very high95.3Very high25 Ų2536 Ų3613%0.13420%0.204CC..G310 helixtrans-117.319.9-173.8-64.8-69.9000112.2I802 R803 V836 I837 I841 F842 F843I802-D839 HydrophobicContact CG2-CB 3.96Å; R803-D839 HydrophobicContact CB-CB 4.14Å; R803-D839 WeakPolarHBondContact CD-OD1 3.27Å; V836-D839 CarbonylContact O-C 3.38Å; V836-D839 PolarHBondContact O-N 3.25Å; V836-D839 VanDerWaalsContact O-N 3.11Å; I837-D839 VanDerWaalsContact C-N 3.32Å; I837-D839 PolarHBondContact O-N 3.39Å; D839-I841 PolarHBondContact O-N 3.47Å; D839-I841 VanDerWaalsContact O-N 3.1Å; D839-F842 HydrophobicContact CB-CD2 3.94Å; D839-F842 WeakPolarHBondContact O-CB 3.44Å; D839-F842 PolarHBondContact O-N 2.86Å; D839-F843 PolarHBondContact O-N 2.96Å
840F95Very high95.2Very high5 Ų536.1 Ų36.12%0.02221%0.205CC..Hα-helixtrans-61.4-25.8-173.5-172.8-108.4000113.2V836 F842 F843 C844 I864 L865 F868 W877 F880V836-F840 HydrophobicContact CG1-CD2 3.91Å; V836-F840 HydrophobicContact CG2-CB 4.45Å; V836-F840 HydrophobicContact CG2-CD2 3.98Å; V836-F840 WeakPolarHBondContact O-CA 3.5Å; V836-F840 WeakPolarHBondContact O-CB 3.31Å; V836-F840 PolarHBondContact O-N 2.89Å; F840-F842 VanDerWaalsContact C-N 3.32Å; F840-F842 PolarHBondContact O-N 3.2Å; F840-F843 HydrophobicContact CD2-CD1 4.13Å; F840-F843 AromaticContact CE2-CD1 3.72Å; F840-F843 HydrophobicContact CE2-CD1 3.72Å; F840-F843 HydrophobicContact CE2-CE1 4.28Å; F840-F843 HydrophobicContact CZ-CD1 4.42Å; F840-F843 PolarHBondContact O-N 2.91Å; F840-C844 WeakPolarHBondContact CE1-SG 3.45Å; F840-C844 PolarHBondContact O-N 3.46Å; F840-C844 PolarHBondContact O-SG 3.03Å; F840-I864 HydrophobicContact CE2-CG2 4.02Å; F840-I864 HydrophobicContact CZ-CG2 4.48Å; F840-L865 HydrophobicContact CZ-CD2 4.08Å; F840-F868 HydrophobicContact CD1-CD1 4.38Å; F840-F868 HydrophobicContact CD2-CD1 4.17Å; F840-F868 HydrophobicContact CD2-CD2 4.11Å; F840-F868 HydrophobicContact CD2-CE1 4.08Å; F840-F868 HydrophobicContact CD2-CE2 4.03Å; F840-F868 HydrophobicContact CD2-CG 4.19Å; F840-F868 HydrophobicContact CD2-CZ 4.03Å; F840-F868 HydrophobicContact CE1-CB 3.93Å; F840-F868 HydrophobicContact CE1-CD1 4.32Å; F840-F868 HydrophobicContact CE1-CG 4.02Å; F840-F868 HydrophobicContact CE2-CB 4.25Å; F840-F868 HydrophobicContact CE2-CD1 4.08Å; F840-F868 AromaticContact CE2-CD2 3.39Å; F840-F868 HydrophobicContact CE2-CD2 3.39Å; F840-F868 HydrophobicContact CE2-CE1 4.3Å; F840-F868 AromaticContact CE2-CE2 3.65Å; F840-F868 HydrophobicContact CE2-CE2 3.65Å; F840-F868 AromaticContact CE2-CG 3.63Å; F840-F868 HydrophobicContact CE2-CG 3.63Å; F840-F868 HydrophobicContact CE2-CZ 4.11Å; F840-F868 HydrophobicContact CG-CD1 4.33Å; F840-F868 HydrophobicContact CG-CE1 4.39Å; F840-F868 HydrophobicContact CZ-CB 3.64Å; F840-F868 HydrophobicContact CZ-CD1 4.16Å; F840-F868 AromaticContact CZ-CD2 3.66Å; F840-F868 HydrophobicContact CZ-CD2 3.66Å; F840-F868 HydrophobicContact CZ-CE2 4.37Å; F840-F868 AromaticContact CZ-CG 3.54Å; F840-F868 HydrophobicContact CZ-CG 3.54Å; F840-W877 HydrophobicContact CE1-CH2 4.1Å; F840-W877 AromaticContact CE1-CZ3 3.86Å; F840-W877 HydrophobicContact CE1-CZ3 3.86Å; F840-F880 HydrophobicContact CB-CZ 4.18Å; F840-F880 AromaticContact CD1-CE1 3.69Å; F840-F880 HydrophobicContact CD1-CE1 3.69Å; F840-F880 HydrophobicContact CD1-CZ 4.02Å; F840-F880 HydrophobicContact CE1-CE1 4.42Å
841I94.7Very high95Very high47 Ų4737 Ų3724%0.24120%0.201CC..Hα-helixtrans-61-38.5172-172169.8000112.3D839 C844 D845 F880 F884 L888D839-I841 PolarHBondContact O-N 3.47Å; D839-I841 VanDerWaalsContact O-N 3.1Å; I841-C844 WeakPolarHBondContact O-CB 3.49Å; I841-C844 PolarHBondContact O-N 3.31Å; I841-D845 WeakPolarHBondContact O-CB 3.46Å; I841-D845 PolarHBondContact O-N 3.41Å; I841-F880 HydrophobicContact CB-CZ 4.37Å; I841-F884 HydrophobicContact CB-CD1 4.45Å; I841-F884 HydrophobicContact CB-CE1 3.87Å; I841-F884 HydrophobicContact CD1-CD1 3.46Å; I841-F884 VanDerWaalsContact CD1-CD1 3.46Å; I841-F884 HydrophobicContact CD1-CE1 3.75Å; I841-F884 HydrophobicContact CD1-CG 4.43Å; I841-F884 HydrophobicContact CG1-CD1 3.66Å; I841-F884 HydrophobicContact CG1-CE1 3.53Å; I841-F884 HydrophobicContact CG1-CZ 4.3Å; I841-L888 HydrophobicContact CG1-CD2 4.36Å
842F95.6Very high94.8Very high55 Ų5540.7 Ų40.724%0.24122%0.219CC..Hα-helixtrans-69.7-37.4177.8-65.6-85.4000111.2R803 C806 D839 F840 D845 A846R803-F842 HydrophobicContact CB-CD2 4.45Å; R803-F842 HydrophobicContact CG-CD1 4.18Å; R803-F842 HydrophobicContact CG-CD2 3.92Å; R803-F842 HydrophobicContact CG-CE1 4.16Å; R803-F842 HydrophobicContact CG-CE2 3.9Å; R803-F842 HydrophobicContact CG-CG 4.07Å; R803-F842 HydrophobicContact CG-CZ 4.04Å; R803-F842 VanDerWaalsContact NE-CZ 3.32Å; C806-F842 HydrophobicContact CB-CB 3.81Å; C806-F842 WeakPolarHBondContact CB-O 3.13Å; D839-F842 HydrophobicContact CB-CD2 3.94Å; D839-F842 WeakPolarHBondContact O-CB 3.44Å; D839-F842 PolarHBondContact O-N 2.86Å; F840-F842 VanDerWaalsContact C-N 3.32Å; F840-F842 PolarHBondContact O-N 3.2Å; F842-D845 PolarHBondContact O-N 2.89Å; F842-A846 WeakPolarHBondContact O-CB 3.48Å; F842-A846 PolarHBondContact O-N 3.16Å
843F96.8Very high94.7Very high0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-62.2-44.4171.5177.1-102.5000111.6C806 I825 I829 V836 D839 F840 D845 A846 V847 I864C806-F843 VanDerWaalsContact SG-CA 3.54Å; I825-F843 HydrophobicContact CG2-CD2 3.85Å; I825-F843 HydrophobicContact CG2-CE2 3.62Å; I829-F843 HydrophobicContact CD1-CD1 4.33Å; I829-F843 HydrophobicContact CD1-CD2 3.84Å; I829-F843 HydrophobicContact CD1-CE1 4.13Å; I829-F843 HydrophobicContact CD1-CE2 3.62Å; I829-F843 HydrophobicContact CD1-CG 4.19Å; I829-F843 HydrophobicContact CD1-CZ 3.76Å; V836-F843 HydrophobicContact CG2-CB 3.93Å; V836-F843 HydrophobicContact CG2-CG 4.42Å; D839-F843 PolarHBondContact O-N 2.96Å; F840-F843 HydrophobicContact CD2-CD1 4.13Å; F840-F843 AromaticContact CE2-CD1 3.72Å; F840-F843 HydrophobicContact CE2-CD1 3.72Å; F840-F843 HydrophobicContact CE2-CE1 4.28Å; F840-F843 HydrophobicContact CZ-CD1 4.42Å; F840-F843 PolarHBondContact O-N 2.91Å; F843-D845 VanDerWaalsContact C-N 3.32Å; F843-D845 PolarHBondContact O-N 3.22Å; F843-A846 PolarHBondContact O-N 3.43Å; F843-V847 HydrophobicContact CD1-CG2 4.23Å; F843-V847 HydrophobicContact CD2-CG2 4.27Å; F843-V847 HydrophobicContact CE1-CG2 3.75Å; F843-V847 HydrophobicContact CE2-CG2 3.79Å; F843-V847 HydrophobicContact CG-CG2 4.47Å; F843-V847 HydrophobicContact CZ-CG2 3.52Å; F843-V847 WeakPolarHBondContact O-CB 3.3Å; F843-V847 VanDerWaalsContact O-CG2 3.32Å; F843-V847 WeakPolarHBondContact O-CG2 3.3Å; F843-V847 PolarHBondContact O-N 2.85Å; F843-I864 HydrophobicContact CD1-CG2 4.4Å; F843-I864 HydrophobicContact CE1-CB 4.33Å; F843-I864 HydrophobicContact CE1-CG2 3.59Å; F843-I864 HydrophobicContact CZ-CD1 4.07Å; F843-I864 HydrophobicContact CZ-CG2 4.17Å
844C96.3Very high94.7Very high0 Ų042.8 Ų42.80%022%0.223CC..Hα-helixtrans-59.3-43.5175.7-67.60000111.9F840 I841 V847 A848 F884 L892F840-C844 WeakPolarHBondContact CE1-SG 3.45Å; F840-C844 PolarHBondContact O-N 3.46Å; F840-C844 PolarHBondContact O-SG 3.03Å; I841-C844 WeakPolarHBondContact O-CB 3.49Å; I841-C844 PolarHBondContact O-N 3.31Å; C844-V847 PolarHBondContact O-N 3.43Å; C844-A848 VanDerWaalsContact O-CB 3.31Å; C844-A848 WeakPolarHBondContact O-CB 3.34Å; C844-A848 PolarHBondContact O-N 3.29Å; C844-F884 HydrophobicContact CB-CE2 4.27Å; C844-F884 HydrophobicContact CB-CZ 4.3Å; C844-L892 HydrophobicContact CB-CD1 3.9Å
845D95.1Very high94.8Very high40 Ų4045.4 Ų45.421%0.21423%0.231CC..Hα-helixtrans-63.7-45.3177.4-169.452.9000112.2R810 I841 F842 F843 V847 A848 S849 L888R810-D845 IonicContact CZ-OD2 2.96Å; R810-D845 VanDerWaalsContact CZ-OD2 3.3Å; R810-D845 IonicContact NE-OD2 3.9Å; R810-D845 IonicContact NH1-OD2 3.09Å; R810-D845 PolarHBondContact NH1-OD2 3.42Å; I841-D845 WeakPolarHBondContact O-CB 3.46Å; I841-D845 PolarHBondContact O-N 3.41Å; F842-D845 PolarHBondContact O-N 2.89Å; F843-D845 VanDerWaalsContact C-N 3.32Å; F843-D845 PolarHBondContact O-N 3.22Å; D845-V847 PolarHBondContact O-N 3.12Å; D845-A848 PolarHBondContact O-N 3.32Å; D845-S849 PolarHBondContact O-N 3.26Å; D845-L888 HydrophobicContact CB-CD1 4.34Å; D845-L888 HydrophobicContact CB-CD2 4.11Å
846A96.4Very high94.8Very high0 Ų049.2 Ų49.20%025%0.251CS..Hα-helixtrans-62.9-40.8175.700000112.2C806 F822 F842 F843 A848 S849C806-A846 HydrophobicContact CB-CB 3.9Å; F822-A846 HydrophobicContact CE1-CB 3.97Å; F822-A846 HydrophobicContact CZ-CB 3.86Å; F842-A846 WeakPolarHBondContact O-CB 3.48Å; F842-A846 PolarHBondContact O-N 3.16Å; F843-A846 PolarHBondContact O-N 3.43Å; A846-A848 VanDerWaalsContact C-N 3.35Å; A846-S849 WeakPolarHBondContact O-CB 3.49Å; A846-S849 PolarHBondContact O-N 3.38Å; A846-S849 PolarHBondContact O-OG 3.37Å
847V96.8Very high94.9Very high0 Ų049.2 Ų49.20%025%0.251CS..Hα-helixtrans-66.1-37174.2165.80000111.9F822 F843 C844 D845 S849 F861 L865 Y896F822-V847 HydrophobicContact CE1-CG2 4.4Å; F843-V847 HydrophobicContact CD1-CG2 4.23Å; F843-V847 HydrophobicContact CD2-CG2 4.27Å; F843-V847 HydrophobicContact CE1-CG2 3.75Å; F843-V847 HydrophobicContact CE2-CG2 3.79Å; F843-V847 HydrophobicContact CG-CG2 4.47Å; F843-V847 HydrophobicContact CZ-CG2 3.52Å; F843-V847 WeakPolarHBondContact O-CB 3.3Å; F843-V847 VanDerWaalsContact O-CG2 3.32Å; F843-V847 WeakPolarHBondContact O-CG2 3.3Å; F843-V847 PolarHBondContact O-N 2.85Å; C844-V847 PolarHBondContact O-N 3.43Å; D845-V847 PolarHBondContact O-N 3.12Å; V847-S849 VanDerWaalsContact C-N 3.26Å; V847-S849 PolarHBondContact O-N 2.99Å; V847-F861 HydrophobicContact CG1-CB 3.82Å; V847-F861 HydrophobicContact CG1-CD1 4.28Å; V847-F861 HydrophobicContact CG1-CD2 3.85Å; V847-F861 HydrophobicContact CG1-CE2 4.46Å; V847-F861 HydrophobicContact CG1-CG 3.74Å; V847-F861 HydrophobicContact CG2-CD1 3.74Å; V847-F861 HydrophobicContact CG2-CE1 3.95Å; V847-F861 HydrophobicContact CG2-CG 4.07Å; V847-F861 HydrophobicContact CG2-CZ 4.42Å; V847-L865 HydrophobicContact CG1-CD1 4.19Å; V847-Y896 HydrophobicContact CG1-CD2 4.23Å; V847-Y896 HydrophobicContact CG1-CE1 4.22Å; V847-Y896 HydrophobicContact CG1-CE2 3.52Å; V847-Y896 PolarHBondContact O-OH 2.94Å; V847-Y896 VanDerWaalsContact O-OH 3.05Å
848A95.4Very high95.1Very high5 Ų549.4 Ų49.44%0.04125%0.246CC..Hα-helixtrans-69.7-23.8175.900000112.3C844 D845 A846 W850 L888 R891 L892C844-A848 VanDerWaalsContact O-CB 3.31Å; C844-A848 WeakPolarHBondContact O-CB 3.34Å; C844-A848 PolarHBondContact O-N 3.29Å; D845-A848 PolarHBondContact O-N 3.32Å; A846-A848 VanDerWaalsContact C-N 3.35Å; A848-W850 PolarHBondContact O-N 3.12Å; A848-L888 HydrophobicContact CB-CD1 3.42Å; A848-L888 VanDerWaalsContact CB-CD1 3.42Å; A848-R891 HydrophobicContact CB-CB 4.42Å; A848-R891 HydrophobicContact CB-CG 4.24Å; A848-R891 VanDerWaalsContact O-CD 3.23Å; A848-R891 WeakPolarHBondContact O-CD 3.36Å; A848-R891 PolarHBondContact O-NE 3.46Å; A848-R891 PolarHBondContact O-NH2 2.88Å; A848-R891 VanDerWaalsContact O-NH2 3.12Å; A848-L892 HydrophobicContact CB-CD2 4.15Å; A848-L892 HydrophobicContact CB-CG 4.48Å
849S94.5Very high95.4Very high25 Ų2546.5 Ų46.518%0.17524%0.235CC..Hα-helixtrans-63.3-28.1178.875.70000114.2R810 D845 A846 V847 R891R810-S849 WeakPolarHBondContact O-CB 3.36Å; R810-S849 PolarHBondContact O-OG 2.98Å; D845-S849 PolarHBondContact O-N 3.26Å; A846-S849 WeakPolarHBondContact O-CB 3.49Å; A846-S849 PolarHBondContact O-N 3.38Å; A846-S849 PolarHBondContact O-OG 3.37Å; V847-S849 VanDerWaalsContact C-N 3.26Å; V847-S849 PolarHBondContact O-N 2.99Å; S849-R891 PolarHBondContact O-NH2 3.39Å; S849-R891 VanDerWaalsContact O-NH2 3.16Å
850W95.7Very high95.5Very high7 Ų747.4 Ų47.43%0.02724%0.239CC..  trans-59.3140.7-179.6-76.684000112.1D814 K818 D819 F822 A848 P853 L857 F861 R891D814-W850 HydrophobicContact CB-CE3 3.97Å; D814-W850 HydrophobicContact CB-CZ3 3.8Å; K818-W850 HydrophobicContact CB-CH2 4.17Å; K818-W850 HydrophobicContact CB-CZ2 4.2Å; K818-W850 HydrophobicContact CD-CH2 4.02Å; K818-W850 HydrophobicContact CD-CZ2 3.76Å; K818-W850 HydrophobicContact CG-CH2 3.95Å; K818-W850 HydrophobicContact CG-CZ2 3.55Å; D819-W850 HydrophobicContact CB-CH2 3.95Å; F822-W850 HydrophobicContact CB-CZ2 4.08Å; F822-W850 AromaticContact CD1-NE1 3.44Å; F822-W850 AromaticContact CD2-CE2 3.94Å; F822-W850 AromaticContact CD2-CZ2 3.66Å; F822-W850 HydrophobicContact CD2-CZ2 3.66Å; F822-W850 AromaticContact CD2-NE1 3.61Å; F822-W850 AromaticContact CE1-CD1 3.99Å; F822-W850 AromaticContact CE1-NE1 3.33Å; F822-W850 VanDerWaalsContact CE1-NE1 3.33Å; F822-W850 HydrophobicContact CE2-CZ2 4.18Å; F822-W850 AromaticContact CE2-NE1 3.5Å; F822-W850 AromaticContact CG-CZ2 3.86Å; F822-W850 HydrophobicContact CG-CZ2 3.86Å; F822-W850 AromaticContact CG-NE1 3.56Å; F822-W850 AromaticContact CZ-NE1 3.34Å; F822-W850 VanDerWaalsContact CZ-NE1 3.34Å; A848-W850 PolarHBondContact O-N 3.12Å; W850-P853 HydrophobicContact CB-CB 4.35Å; W850-P853 HydrophobicContact CB-CG 4.19Å; W850-P853 HydrophobicContact CD2-CB 4.09Å; W850-P853 HydrophobicContact CE3-CB 3.69Å; W850-P853 HydrophobicContact CG-CB 4.4Å; W850-P853 HydrophobicContact CZ3-CB 4.35Å; W850-L857 HydrophobicContact CH2-CD2 3.78Å; W850-L857 HydrophobicContact CZ2-CD2 3.77Å; W850-L857 HydrophobicContact CZ3-CD2 4.24Å; W850-F861 AromaticContact CD1-CE2 3.87Å; W850-F861 AromaticContact CD1-CZ 4Å; W850-F861 HydrophobicContact CD2-CE2 4.34Å; W850-F861 HydrophobicContact CG-CE2 4.08Å; W850-F861 AromaticContact NE1-CE2 3.99Å; W850-F861 AromaticContact NE1-CZ 3.69Å; W850-R891 PolarHBondContact O-NH2 2.85Å
851I92.5Very high95.7Very high107 Ų10747.1 Ų47.155%0.54924%0.238SC..SBendtrans-101.9-53.3177.7-56.4177.5000109.2D814D814-I851 PolarHBondContact OD2-N 3.01Å
852N92.4Very high95.8Very high133 Ų13346.3 Ų46.371%0.71124%0.236SC*.SBendtrans-133.464.2-176.4-64-50.8000111.7D814D814-N852 PolarHBondContact OD2-N 2.91Å
853P94.2Very high95.9Very high20 Ų2050.8 Ų50.813%0.1326%0.255CS..  trans-64.6144.9175.528.6-32.2000110.6W850 L857 R858 F861W850-P853 HydrophobicContact CB-CB 4.35Å; W850-P853 HydrophobicContact CB-CG 4.19Å; W850-P853 HydrophobicContact CD2-CB 4.09Å; W850-P853 HydrophobicContact CE3-CB 3.69Å; W850-P853 HydrophobicContact CG-CB 4.4Å; W850-P853 HydrophobicContact CZ3-CB 4.35Å; P853-L857 HydrophobicContact CB-CD2 4.46Å; P853-R858 HydrophobicContact CG-CB 4.2Å; P853-R858 HydrophobicContact CG-CG 4.46Å; P853-F861 HydrophobicContact CB-CE2 4.16Å
854K95.3Very high95.8Very high107 Ų10751.5 Ų51.547%0.46526%0.259SS..  trans-56.5145.5171.9-66.8178.3-176.1166.30110.1D856 L857 R858K854-D856 WeakPolarHBondContact CB-OD1 3.45Å; K854-D856 PolarHBondContact O-N 3.04Å; K854-D856 VanDerWaalsContact O-N 3.15Å; K854-L857 WeakPolarHBondContact O-CB 3.44Å; K854-L857 PolarHBondContact O-N 3.06Å; K854-R858 PolarHBondContact O-N 2.83Å
855D95.8Very high95.9Very high131 Ų13151.5 Ų51.570%0.70126%0.259SS*.Hα-helixtrans-53.6-40.5-172.6-73.3-29.8000113.2R858 D859D855-R858 WeakPolarHBondContact O-CB 3.36Å; D855-R858 PolarHBondContact O-N 2.94Å; D855-D859 PolarHBondContact O-N 3.39Å
856D95.4Very high95.9Very high82 Ų8252.8 Ų52.844%0.43926%0.263SS..Hα-helixtrans-71.5-34.9179.964.4-24000113.1R823 K854 D859 M860R823-D856 IonicContact CZ-OD1 2.71Å; R823-D856 IonicContact CZ-OD2 2.77Å; R823-D856 VanDerWaalsContact NH1-CG 3.34Å; R823-D856 IonicContact NH1-OD1 3.81Å; R823-D856 IonicContact NH1-OD2 3.51Å; R823-D856 PolarHBondContact NH1-OD2 3.11Å; R823-D856 VanDerWaalsContact NH2-CG 3.29Å; R823-D856 IonicContact NH2-OD1 3.71Å; R823-D856 PolarHBondContact NH2-OD1 3Å; R823-D856 IonicContact NH2-OD2 3.57Å; R823-D856 PolarHBondContact NH2-OD2 3.3Å; R823-D856 VanDerWaalsContact NH2-OD2 3.14Å; K854-D856 WeakPolarHBondContact CB-OD1 3.45Å; K854-D856 PolarHBondContact O-N 3.04Å; K854-D856 VanDerWaalsContact O-N 3.15Å; D856-D859 WeakPolarHBondContact O-CB 3.29Å; D856-D859 PolarHBondContact O-N 3.22Å; D856-M860 WeakPolarHBondContact O-CG 3.3Å; D856-M860 PolarHBondContact O-N 3.34Å; D856-M860 VanDerWaalsContact O-N 3.15Å
857L97.2Very high95.8Very high0 Ų054.4 Ų54.40%028%0.28CS..Hα-helixtrans-69-42.7171.6179.157.8000111D819 F822 R823 W850 P853 K854 D859 M860 F861D819-L857 HydrophobicContact CB-CD2 4.44Å; D819-L857 WeakPolarHBondContact OD2-CD2 3.36Å; F822-L857 HydrophobicContact CB-CD1 4.2Å; F822-L857 HydrophobicContact CB-CD2 4.36Å; R823-L857 HydrophobicContact CG-CD1 3.94Å; W850-L857 HydrophobicContact CH2-CD2 3.78Å; W850-L857 HydrophobicContact CZ2-CD2 3.77Å; W850-L857 HydrophobicContact CZ3-CD2 4.24Å; P853-L857 HydrophobicContact CB-CD2 4.46Å; K854-L857 WeakPolarHBondContact O-CB 3.44Å; K854-L857 PolarHBondContact O-N 3.06Å; L857-D859 PolarHBondContact O-N 3.13Å; L857-M860 HydrophobicContact CD1-SD 4.31Å; L857-M860 WeakPolarHBondContact O-CA 3.3Å; L857-M860 WeakPolarHBondContact O-CB 3.2Å; L857-M860 PolarHBondContact O-N 3.26Å; L857-F861 HydrophobicContact CD1-CD1 4.32Å; L857-F861 HydrophobicContact CD1-CE1 3.6Å; L857-F861 HydrophobicContact CD1-CE2 4.26Å; L857-F861 HydrophobicContact CD1-CZ 3.57Å; L857-F861 HydrophobicContact CD2-CE2 4.17Å; L857-F861 HydrophobicContact CD2-CZ 3.83Å; L857-F861 HydrophobicContact CG-CD2 4.45Å; L857-F861 HydrophobicContact CG-CE1 4.04Å; L857-F861 HydrophobicContact CG-CE2 3.75Å; L857-F861 HydrophobicContact CG-CZ 3.51Å; L857-F861 WeakPolarHBondContact O-CG 3.49Å; L857-F861 PolarHBondContact O-N 3.5Å
858R96.3Very high95.6Very high100 Ų10055.3 Ų55.338%0.37728%0.284SS..Hα-helixtrans-57.2-40.9173.4-172.1-174.8177.2179.50.4111.3P853 K854 D855 M860 F861 C862 F895 Y896P853-R858 HydrophobicContact CG-CB 4.2Å; P853-R858 HydrophobicContact CG-CG 4.46Å; K854-R858 PolarHBondContact O-N 2.83Å; D855-R858 WeakPolarHBondContact O-CB 3.36Å; D855-R858 PolarHBondContact O-N 2.94Å; R858-M860 VanDerWaalsContact C-N 3.34Å; R858-M860 PolarHBondContact O-N 3.37Å; R858-F861 WeakPolarHBondContact O-CB 3.44Å; R858-F861 PolarHBondContact O-N 2.73Å; R858-C862 PolarHBondContact O-N 3.4Å; R858-C862 PolarHBondContact O-SG 3.08Å; R858-F895 PolarHBondContact NH2-O 2.96Å; R858-Y896 HydrophobicContact CG-CD1 4.45Å; R858-Y896 HydrophobicContact CG-CE1 3.94Å
859D97Very high95.5Very high87 Ų8756.8 Ų56.847%0.46529%0.29SS..Hα-helixtrans-63.3-37.2174.6-83.1-9.5000112.7D855 D856 L857 C862 K863D855-D859 PolarHBondContact O-N 3.39Å; D856-D859 WeakPolarHBondContact O-CB 3.29Å; D856-D859 PolarHBondContact O-N 3.22Å; L857-D859 PolarHBondContact O-N 3.13Å; D859-C862 PolarHBondContact O-N 2.77Å; D859-K863 WeakPolarHBondContact O-CB 3.48Å; D859-K863 VanDerWaalsContact O-CG 3.26Å; D859-K863 WeakPolarHBondContact O-CG 3.49Å; D859-K863 PolarHBondContact O-N 2.66Å
860M97.9Very high95.4Very high44 Ų4461.5 Ų61.522%0.21731%0.313CS..Hα-helixtrans-63.2-45173.4-65.1175.488.900111.2R823 C826 D856 L857 R858 K863 I864R823-M860 HydrophobicContact CG-SD 4.22Å; C826-M860 HydrophobicContact CB-CB 4.02Å; C826-M860 HydrophobicContact CB-CE 3.51Å; C826-M860 HydrophobicContact CB-SD 4.27Å; D856-M860 WeakPolarHBondContact O-CG 3.3Å; D856-M860 PolarHBondContact O-N 3.34Å; D856-M860 VanDerWaalsContact O-N 3.15Å; L857-M860 HydrophobicContact CD1-SD 4.31Å; L857-M860 WeakPolarHBondContact O-CA 3.3Å; L857-M860 WeakPolarHBondContact O-CB 3.2Å; L857-M860 PolarHBondContact O-N 3.26Å; R858-M860 VanDerWaalsContact C-N 3.34Å; R858-M860 PolarHBondContact O-N 3.37Å; M860-K863 PolarHBondContact O-N 3.25Å; M860-I864 WeakPolarHBondContact O-CG1 3.06Å; M860-I864 PolarHBondContact O-N 2.92Å; M860-I864 VanDerWaalsContact O-N 3.1Å
861F98Very high95.2Very high0 Ų068 Ų680%034%0.343CS..Hα-helixtrans-59.1-49.4175.4-61.2-25.7000111.6F822 C826 V847 W850 P853 L857 R858 K863 I864 L865 Y896F822-F861 HydrophobicContact CB-CE1 4.12Å; F822-F861 HydrophobicContact CB-CZ 4.01Å; F822-F861 AromaticContact CD1-CE1 3.66Å; F822-F861 HydrophobicContact CD1-CE1 3.66Å; F822-F861 AromaticContact CD1-CZ 3.58Å; F822-F861 HydrophobicContact CD1-CZ 3.58Å; F822-F861 HydrophobicContact CE1-CZ 4.37Å; F822-F861 HydrophobicContact CG-CE1 4.33Å; F822-F861 HydrophobicContact CG-CZ 4.08Å; C826-F861 VanDerWaalsContact SG-CD1 3.56Å; C826-F861 VanDerWaalsContact SG-CE1 3.58Å; V847-F861 HydrophobicContact CG1-CB 3.82Å; V847-F861 HydrophobicContact CG1-CD1 4.28Å; V847-F861 HydrophobicContact CG1-CD2 3.85Å; V847-F861 HydrophobicContact CG1-CE2 4.46Å; V847-F861 HydrophobicContact CG1-CG 3.74Å; V847-F861 HydrophobicContact CG2-CD1 3.74Å; V847-F861 HydrophobicContact CG2-CE1 3.95Å; V847-F861 HydrophobicContact CG2-CG 4.07Å; V847-F861 HydrophobicContact CG2-CZ 4.42Å; W850-F861 AromaticContact CD1-CE2 3.87Å; W850-F861 AromaticContact CD1-CZ 4Å; W850-F861 HydrophobicContact CD2-CE2 4.34Å; W850-F861 HydrophobicContact CG-CE2 4.08Å; W850-F861 AromaticContact NE1-CE2 3.99Å; W850-F861 AromaticContact NE1-CZ 3.69Å; P853-F861 HydrophobicContact CB-CE2 4.16Å; L857-F861 HydrophobicContact CD1-CD1 4.32Å; L857-F861 HydrophobicContact CD1-CE1 3.6Å; L857-F861 HydrophobicContact CD1-CE2 4.26Å; L857-F861 HydrophobicContact CD1-CZ 3.57Å; L857-F861 HydrophobicContact CD2-CE2 4.17Å; L857-F861 HydrophobicContact CD2-CZ 3.83Å; L857-F861 HydrophobicContact CG-CD2 4.45Å; L857-F861 HydrophobicContact CG-CE1 4.04Å; L857-F861 HydrophobicContact CG-CE2 3.75Å; L857-F861 HydrophobicContact CG-CZ 3.51Å; L857-F861 WeakPolarHBondContact O-CG 3.49Å; L857-F861 PolarHBondContact O-N 3.5Å; R858-F861 WeakPolarHBondContact O-CB 3.44Å; R858-F861 PolarHBondContact O-N 2.73Å; F861-K863 VanDerWaalsContact C-N 3.34Å; F861-K863 PolarHBondContact O-N 2.77Å; F861-I864 PolarHBondContact O-N 2.74Å; F861-L865 WeakPolarHBondContact O-CB 3.36Å; F861-L865 VanDerWaalsContact O-CG 3.31Å; F861-L865 WeakPolarHBondContact O-CG 2.95Å; F861-L865 PolarHBondContact O-N 3.21Å; F861-Y896 HydrophobicContact CB-CD1 4.21Å; F861-Y896 HydrophobicContact CB-CE1 3.73Å; F861-Y896 AromaticContact CD2-CE1 3.95Å; F861-Y896 HydrophobicContact CD2-CE1 3.95Å; F861-Y896 AromaticContact CD2-CZ 3.98Å; F861-Y896 WeakPolarHBondContact CD2-OH 3.19Å; F861-Y896 HydrophobicContact CG-CE1 4.35Å
862C97Very high95.1Very high29 Ų2965.7 Ų65.720%0.19633%0.334CS..Hα-helixtrans-54.7-47.9175.9-77.10000111.9R858 D859 I864 L865 H866R858-C862 PolarHBondContact O-N 3.4Å; R858-C862 PolarHBondContact O-SG 3.08Å; D859-C862 PolarHBondContact O-N 2.77Å; C862-I864 VanDerWaalsContact C-N 3.33Å; C862-I864 PolarHBondContact O-N 2.73Å; C862-L865 PolarHBondContact O-N 3.42Å; C862-H866 WeakPolarHBondContact O-CB 3.44Å; C862-H866 PolarHBondContact O-CD2 2.95Å; C862-H866 VanDerWaalsContact O-CD2 3.27Å; C862-H866 PolarHBondContact O-N 3.03Å
863K96.7Very high95Very high150 Ų15060.7 Ų60.765%0.65231%0.314SS*.Hα-helixtrans-61-41-179.3-75.8167.3-174.3164.50112.3D859 M860 F861 G867D859-K863 WeakPolarHBondContact O-CB 3.48Å; D859-K863 VanDerWaalsContact O-CG 3.26Å; D859-K863 WeakPolarHBondContact O-CG 3.49Å; D859-K863 PolarHBondContact O-N 2.66Å; M860-K863 PolarHBondContact O-N 3.25Å; F861-K863 VanDerWaalsContact C-N 3.34Å; F861-K863 PolarHBondContact O-N 2.77Å; K863-G867 WeakPolarHBondContact O-CA 3.28Å; K863-G867 PolarHBondContact O-N 2.86Å
864I96.7Very high94.8Very high14 Ų1464.7 Ų64.77%0.07233%0.334CS..Hα-helixtrans-69.8-50.3178.6-67.9169.1000110.6C826 I829 F840 F843 M860 F861 C862 H866 G867 F868C826-I864 HydrophobicContact CB-CD1 3.62Å; C826-I864 VanDerWaalsContact SG-CD1 3.59Å; I829-I864 HydrophobicContact CB-CD1 4.17Å; I829-I864 HydrophobicContact CD1-CD1 4.2Å; I829-I864 HydrophobicContact CD1-CG2 4.46Å; I829-I864 HydrophobicContact CG2-CD1 4.14Å; I829-I864 HydrophobicContact CG2-CG1 4.22Å; I829-I864 HydrophobicContact CG2-CG2 3.97Å; F840-I864 HydrophobicContact CE2-CG2 4.02Å; F840-I864 HydrophobicContact CZ-CG2 4.48Å; F843-I864 HydrophobicContact CD1-CG2 4.4Å; F843-I864 HydrophobicContact CE1-CB 4.33Å; F843-I864 HydrophobicContact CE1-CG2 3.59Å; F843-I864 HydrophobicContact CZ-CD1 4.07Å; F843-I864 HydrophobicContact CZ-CG2 4.17Å; M860-I864 WeakPolarHBondContact O-CG1 3.06Å; M860-I864 PolarHBondContact O-N 2.92Å; M860-I864 VanDerWaalsContact O-N 3.1Å; F861-I864 PolarHBondContact O-N 2.74Å; C862-I864 VanDerWaalsContact C-N 3.33Å; C862-I864 PolarHBondContact O-N 2.73Å; I864-H866 PolarHBondContact O-N 2.86Å; I864-G867 PolarHBondContact O-N 2.98Å; I864-F868 HydrophobicContact CG2-CD2 3.93Å; I864-F868 HydrophobicContact CG2-CE2 4.16Å; I864-F868 WeakPolarHBondContact O-CD2 3.27Å; I864-F868 PolarHBondContact O-N 2.77Å
865L96.4Very high94.7Very high0 Ų066.5 Ų66.50%034%0.344CS..Hα-helixtrans-60.2-49.1-178.2-68.8171.7000111.7F840 V847 F861 C862 K869 L892 Y896 V898F840-L865 HydrophobicContact CZ-CD2 4.08Å; V847-L865 HydrophobicContact CG1-CD1 4.19Å; F861-L865 WeakPolarHBondContact O-CB 3.36Å; F861-L865 VanDerWaalsContact O-CG 3.31Å; F861-L865 WeakPolarHBondContact O-CG 2.95Å; F861-L865 PolarHBondContact O-N 3.21Å; C862-L865 PolarHBondContact O-N 3.42Å; L865-K869 WeakPolarHBondContact O-CB 3.22Å; L865-K869 PolarHBondContact O-N 3.22Å; L865-L892 HydrophobicContact CD1-CD2 4.19Å; L865-Y896 HydrophobicContact CD1-CD1 4.21Å; L865-Y896 HydrophobicContact CD1-CD2 3.87Å; L865-Y896 HydrophobicContact CD1-CG 3.64Å; L865-V898 HydrophobicContact CB-CG1 3.86Å; L865-V898 HydrophobicContact CB-CG2 4.1Å; L865-V898 HydrophobicContact CD1-CG2 4.12Å; L865-V898 HydrophobicContact CG-CG2 4.5Å
866H96Very high94.4Very high67 Ų6764.3 Ų64.331%0.3133%0.333SS..Hα-helixtrans-68.9-34.5176.1-77-79.8000112.2C862 I864 K869 N870 Y896 V898C862-H866 WeakPolarHBondContact O-CB 3.44Å; C862-H866 PolarHBondContact O-CD2 2.95Å; C862-H866 VanDerWaalsContact O-CD2 3.27Å; C862-H866 PolarHBondContact O-N 3.03Å; I864-H866 PolarHBondContact O-N 2.86Å; H866-K869 PolarHBondContact O-N 3.12Å; H866-N870 VanDerWaalsContact O-CB 3.29Å; H866-N870 WeakPolarHBondContact O-CB 3.22Å; H866-N870 PolarHBondContact O-N 3.01Å; H866-N870 PolarHBondContact O-ND2 3.27Å; H866-N870 VanDerWaalsContact O-ND2 3.12Å; H866-Y896 PolarHBondContact NE2-O 2.91Å; H866-V898 WeakPolarHBondContact NE2-CG1 3.38Å
867G93.9Very high94.2Very high34 Ų3460.9 Ų60.935%0.35131%0.313SS..Hα-helixtrans-58.9-49.6174.700000112.2K863 I864 N870 Q871K863-G867 WeakPolarHBondContact O-CA 3.28Å; K863-G867 PolarHBondContact O-N 2.86Å; I864-G867 PolarHBondContact O-N 2.98Å; G867-N870 PolarHBondContact O-N 3.46Å; G867-Q871 WeakPolarHBondContact O-CB 3.35Å; G867-Q871 PolarHBondContact O-N 3.33Å
868F92.8Very high93.9Very high19 Ų1969 Ų698%0.08334%0.344CS..Hα-helixtrans-62.5-47.4175.8-94.2-90.3000112.2I829 V836 I837 F840 I864 N870 Q871 V872I829-F868 HydrophobicContact CG2-CE2 4.02Å; V836-F868 HydrophobicContact CG1-CE1 4.34Å; V836-F868 HydrophobicContact CG1-CE2 3.85Å; V836-F868 HydrophobicContact CG1-CZ 3.41Å; V836-F868 VanDerWaalsContact CG1-CZ 3.41Å; I837-F868 HydrophobicContact CG1-CE1 4.01Å; I837-F868 HydrophobicContact CG1-CZ 4.47Å; F840-F868 HydrophobicContact CD1-CD1 4.38Å; F840-F868 HydrophobicContact CD2-CD1 4.17Å; F840-F868 HydrophobicContact CD2-CD2 4.11Å; F840-F868 HydrophobicContact CD2-CE1 4.08Å; F840-F868 HydrophobicContact CD2-CE2 4.03Å; F840-F868 HydrophobicContact CD2-CG 4.19Å; F840-F868 HydrophobicContact CD2-CZ 4.03Å; F840-F868 HydrophobicContact CE1-CB 3.93Å; F840-F868 HydrophobicContact CE1-CD1 4.32Å; F840-F868 HydrophobicContact CE1-CG 4.02Å; F840-F868 HydrophobicContact CE2-CB 4.25Å; F840-F868 HydrophobicContact CE2-CD1 4.08Å; F840-F868 AromaticContact CE2-CD2 3.39Å; F840-F868 HydrophobicContact CE2-CD2 3.39Å; F840-F868 HydrophobicContact CE2-CE1 4.3Å; F840-F868 AromaticContact CE2-CE2 3.65Å; F840-F868 HydrophobicContact CE2-CE2 3.65Å; F840-F868 AromaticContact CE2-CG 3.63Å; F840-F868 HydrophobicContact CE2-CG 3.63Å; F840-F868 HydrophobicContact CE2-CZ 4.11Å; F840-F868 HydrophobicContact CG-CD1 4.33Å; F840-F868 HydrophobicContact CG-CE1 4.39Å; F840-F868 HydrophobicContact CZ-CB 3.64Å; F840-F868 HydrophobicContact CZ-CD1 4.16Å; F840-F868 AromaticContact CZ-CD2 3.66Å; F840-F868 HydrophobicContact CZ-CD2 3.66Å; F840-F868 HydrophobicContact CZ-CE2 4.37Å; F840-F868 AromaticContact CZ-CG 3.54Å; F840-F868 HydrophobicContact CZ-CG 3.54Å; I864-F868 HydrophobicContact CG2-CD2 3.93Å; I864-F868 HydrophobicContact CG2-CE2 4.16Å; I864-F868 WeakPolarHBondContact O-CD2 3.27Å; I864-F868 PolarHBondContact O-N 2.77Å; F868-N870 VanDerWaalsContact C-N 3.32Å; F868-N870 PolarHBondContact O-N 3.07Å; F868-Q871 PolarHBondContact O-N 2.72Å; F868-Q871 VanDerWaalsContact O-N 3.14Å; F868-V872 WeakPolarHBondContact O-CG2 3.42Å; F868-V872 PolarHBondContact O-N 3.4Å
869K93.1Very high93.6Very high37 Ų3772.3 Ų72.316%0.16136%0.357CS..Hα-helixtrans-55.6-46.1176.3178.5172.3-177.21710112.1L865 H866 G873 W877 V898L865-K869 WeakPolarHBondContact O-CB 3.22Å; L865-K869 PolarHBondContact O-N 3.22Å; H866-K869 PolarHBondContact O-N 3.12Å; K869-G873 WeakPolarHBondContact O-CA 3.18Å; K869-G873 PolarHBondContact O-N 2.82Å; K869-W877 HydrophobicContact CB-CD2 3.86Å; K869-W877 HydrophobicContact CB-CE3 3.95Å; K869-W877 HydrophobicContact CB-CG 4.18Å; K869-W877 HydrophobicContact CB-CZ3 4.42Å; K869-W877 HydrophobicContact CD-CD2 4.23Å; K869-W877 HydrophobicContact CD-CG 4.08Å; K869-W877 HydrophobicContact CG-CB 4.09Å; K869-W877 HydrophobicContact CG-CD2 3.86Å; K869-W877 HydrophobicContact CG-CE3 4.43Å; K869-W877 HydrophobicContact CG-CG 3.66Å; K869-V898 HydrophobicContact CD-CB 4.33Å; K869-V898 HydrophobicContact CD-CG1 4.21Å; K869-V898 PolarHBondContact NZ-OXT 3.48Å
870N93.6Very high93.2Very high124 Ų12470.8 Ų70.866%0.66335%0.346SS*.Hα-helixtrans-66.3-36.8177.8-71.2-25.7000112.5H866 G867 F868H866-N870 VanDerWaalsContact O-CB 3.29Å; H866-N870 WeakPolarHBondContact O-CB 3.22Å; H866-N870 PolarHBondContact O-N 3.01Å; H866-N870 PolarHBondContact O-ND2 3.27Å; H866-N870 VanDerWaalsContact O-ND2 3.12Å; G867-N870 PolarHBondContact O-N 3.46Å; F868-N870 VanDerWaalsContact C-N 3.32Å; F868-N870 PolarHBondContact O-N 3.07Å
871Q90.4Very high92.8Very high143 Ų14369.1 Ų69.167%0.66834%0.339SS*.Hα-helixtrans-70.9-39.5-179.2-172176.66.600112.7G867 F868G867-Q871 WeakPolarHBondContact O-CB 3.35Å; G867-Q871 PolarHBondContact O-N 3.33Å; F868-Q871 PolarHBondContact O-N 2.72Å; F868-Q871 VanDerWaalsContact O-N 3.14Å
872V90.1Very high92.4Very high59 Ų5974.2 Ų74.236%0.35837%0.366SS..Hα-helixtrans-83.3-24.3178.2-56.60000112.8F868 N876 W877F868-V872 WeakPolarHBondContact O-CG2 3.42Å; F868-V872 PolarHBondContact O-N 3.4Å; V872-N876 HydrophobicContact CB-CB 4.03Å; V872-N876 HydrophobicContact CG2-CB 4.27Å; V872-N876 WeakPolarHBondContact O-CB 3.3Å; V872-N876 PolarHBondContact O-ND2 3.16Å; V872-W877 HydrophobicContact CG2-CB 3.93Å; V872-W877 HydrophobicContact CG2-CE3 4.31Å
873G91Very high92Very high28 Ų2879.5 Ų79.529%0.28939%0.388SS..  trans82.4155.9-176.300000113.5K869 E875 N876 W877K869-G873 WeakPolarHBondContact O-CA 3.18Å; K869-G873 PolarHBondContact O-N 2.82Å; G873-E875 VanDerWaalsContact C-N 3.32Å; G873-E875 PolarHBondContact O-N 3.4Å; G873-N876 PolarHBondContact O-N 3.2Å; G873-N876 VanDerWaalsContact O-N 3.15Å; G873-W877 WeakPolarHBondContact O-CB 3.27Å; G873-W877 PolarHBondContact O-N 3.11Å
874D90.8Very high91.7Very high104 Ų10473.2 Ų73.256%0.55636%0.36SS*.Hα-helixtrans-55.1-39.4-170.3-73.7-37.1000114.5R878D874-R878 WeakPolarHBondContact O-CB 3.29Å; D874-R878 VanDerWaalsContact O-CG 3.3Å; D874-R878 WeakPolarHBondContact O-CG 3.46Å; D874-R878 PolarHBondContact O-N 3.04Å
875E91.5Very high91.5Very high144 Ų14476.2 Ų76.267%0.67338%0.381SS*.Hα-helixtrans-68.1-43.6179.9-71-169.8171.300112.4G873 R878 R879G873-E875 VanDerWaalsContact C-N 3.32Å; G873-E875 PolarHBondContact O-N 3.4Å; E875-R878 PolarHBondContact O-N 2.79Å; E875-R879 WeakPolarHBondContact O-CG 3.35Å; E875-R879 PolarHBondContact O-N 2.86Å; E875-R879 VanDerWaalsContact O-N 3.13Å
876N90.9Very high91.3Very high85 Ų8581.7 Ų81.746%0.45541%0.41SS..Hα-helixtrans-73.6-36.4178.8-66.9-40.6000111.2V872 G873 R878 R879 F880V872-N876 HydrophobicContact CB-CB 4.03Å; V872-N876 HydrophobicContact CG2-CB 4.27Å; V872-N876 WeakPolarHBondContact O-CB 3.3Å; V872-N876 PolarHBondContact O-ND2 3.16Å; G873-N876 PolarHBondContact O-N 3.2Å; G873-N876 VanDerWaalsContact O-N 3.15Å; N876-R878 VanDerWaalsContact C-N 3.34Å; N876-R878 PolarHBondContact O-N 3.3Å; N876-R879 PolarHBondContact O-N 3.04Å; N876-F880 WeakPolarHBondContact O-CB 3.24Å; N876-F880 PolarHBondContact O-N 3.39Å
877W91.4Very high91.1Very high10 Ų1083 Ų834%0.03842%0.424CS..Hα-helixtrans-58.5-46.5172.3179.2-105.9000111F840 K869 V872 G873 R879 F880 S881 V898F840-W877 HydrophobicContact CE1-CH2 4.1Å; F840-W877 AromaticContact CE1-CZ3 3.86Å; F840-W877 HydrophobicContact CE1-CZ3 3.86Å; K869-W877 HydrophobicContact CB-CD2 3.86Å; K869-W877 HydrophobicContact CB-CE3 3.95Å; K869-W877 HydrophobicContact CB-CG 4.18Å; K869-W877 HydrophobicContact CB-CZ3 4.42Å; K869-W877 HydrophobicContact CD-CD2 4.23Å; K869-W877 HydrophobicContact CD-CG 4.08Å; K869-W877 HydrophobicContact CG-CB 4.09Å; K869-W877 HydrophobicContact CG-CD2 3.86Å; K869-W877 HydrophobicContact CG-CE3 4.43Å; K869-W877 HydrophobicContact CG-CG 3.66Å; V872-W877 HydrophobicContact CG2-CB 3.93Å; V872-W877 HydrophobicContact CG2-CE3 4.31Å; G873-W877 WeakPolarHBondContact O-CB 3.27Å; G873-W877 PolarHBondContact O-N 3.11Å; W877-R879 PolarHBondContact O-N 3.28Å; W877-F880 HydrophobicContact CE3-CD1 4.36Å; W877-F880 HydrophobicContact CZ3-CD1 4.21Å; W877-F880 HydrophobicContact CZ3-CE1 4.49Å; W877-F880 PolarHBondContact O-N 3.43Å; W877-S881 VanDerWaalsContact O-CB 3.32Å; W877-S881 WeakPolarHBondContact O-CB 3.38Å; W877-S881 PolarHBondContact O-N 3.42Å; W877-S881 PolarHBondContact O-OG 2.79Å; W877-V898 HydrophobicContact CZ2-CB 3.8Å; W877-V898 HydrophobicContact CZ2-CG2 4.02Å; W877-V898 PolarHBondContact NE1-OXT 3.03Å
878R90.3Very high91.1Very high170 Ų17081.8 Ų81.864%0.64241%0.409SS*.Hα-helixtrans-57.4-51.9175.4-77.5176.7-173.9179.94111.6D874 E875 N876 F880 S881 D882D874-R878 WeakPolarHBondContact O-CB 3.29Å; D874-R878 VanDerWaalsContact O-CG 3.3Å; D874-R878 WeakPolarHBondContact O-CG 3.46Å; D874-R878 PolarHBondContact O-N 3.04Å; E875-R878 PolarHBondContact O-N 2.79Å; N876-R878 VanDerWaalsContact C-N 3.34Å; N876-R878 PolarHBondContact O-N 3.3Å; R878-F880 PolarHBondContact O-N 3.36Å; R878-S881 WeakPolarHBondContact CA-OG 3.43Å; R878-S881 PolarHBondContact O-N 3.49Å; R878-S881 PolarHBondContact O-OG 3.22Å; R878-D882 WeakPolarHBondContact O-CB 3.34Å; R878-D882 PolarHBondContact O-N 2.91Å
879R89.7Confident91.1Very high170 Ų17084.6 Ų84.664%0.64242%0.422SS*.Hα-helixtrans-57.2-34.7177.8-72.6179-177.7175.34.3113.4E875 N876 W877 Q883E875-R879 WeakPolarHBondContact O-CG 3.35Å; E875-R879 PolarHBondContact O-N 2.86Å; E875-R879 VanDerWaalsContact O-N 3.13Å; N876-R879 PolarHBondContact O-N 3.04Å; W877-R879 PolarHBondContact O-N 3.28Å; R879-Q883 PolarHBondContact O-NE2 3.47Å
880F88.9Confident91.1Very high55 Ų5588.5 Ų88.524%0.24144%0.441CS..Hα-helixtrans-75.6-49176.8-179.9-107000111.5F840 I841 N876 W877 R878 D882 Q883 F884F840-F880 HydrophobicContact CB-CZ 4.18Å; F840-F880 AromaticContact CD1-CE1 3.69Å; F840-F880 HydrophobicContact CD1-CE1 3.69Å; F840-F880 HydrophobicContact CD1-CZ 4.02Å; F840-F880 HydrophobicContact CE1-CE1 4.42Å; I841-F880 HydrophobicContact CB-CZ 4.37Å; N876-F880 WeakPolarHBondContact O-CB 3.24Å; N876-F880 PolarHBondContact O-N 3.39Å; W877-F880 HydrophobicContact CE3-CD1 4.36Å; W877-F880 HydrophobicContact CZ3-CD1 4.21Å; W877-F880 HydrophobicContact CZ3-CE1 4.49Å; W877-F880 PolarHBondContact O-N 3.43Å; R878-F880 PolarHBondContact O-N 3.36Å; F880-D882 VanDerWaalsContact C-N 3.25Å; F880-D882 PolarHBondContact O-N 3.22Å; F880-Q883 VanDerWaalsContact O-CB 3.32Å; F880-Q883 WeakPolarHBondContact O-CB 3.28Å; F880-Q883 PolarHBondContact O-N 3.26Å; F880-F884 AromaticContact CD1-CE1 3.89Å; F880-F884 HydrophobicContact CD1-CE1 3.89Å; F880-F884 AromaticContact CD1-CZ 3.84Å; F880-F884 HydrophobicContact CD1-CZ 3.84Å; F880-F884 AromaticContact CE1-CE1 3.48Å; F880-F884 HydrophobicContact CE1-CE1 3.48Å; F880-F884 VanDerWaalsContact CE1-CE1 3.48Å; F880-F884 AromaticContact CE1-CZ 3.37Å; F880-F884 HydrophobicContact CE1-CZ 3.37Å; F880-F884 AromaticContact CZ-CE1 3.83Å; F880-F884 HydrophobicContact CZ-CE1 3.83Å; F880-F884 HydrophobicContact CZ-CZ 4.09Å
881S89.5Confident91.1Very high9 Ų986.9 Ų86.96%0.06343%0.425CS..Hα-helixtrans-65.4-23.3179.271.80000114W877 R878 Q883 F884W877-S881 VanDerWaalsContact O-CB 3.32Å; W877-S881 WeakPolarHBondContact O-CB 3.38Å; W877-S881 PolarHBondContact O-N 3.42Å; W877-S881 PolarHBondContact O-OG 2.79Å; R878-S881 WeakPolarHBondContact CA-OG 3.43Å; R878-S881 PolarHBondContact O-N 3.49Å; R878-S881 PolarHBondContact O-OG 3.22Å; S881-Q883 PolarHBondContact O-N 3.41Å; S881-F884 VanDerWaalsContact O-CB 3.29Å; S881-F884 WeakPolarHBondContact O-CB 3.48Å; S881-F884 PolarHBondContact O-N 3.34Å; S881-F884 VanDerWaalsContact O-N 3.13Å
882D89.6Confident91.3Very high107 Ų10780.2 Ų80.257%0.57239%0.394SS*.THydrogen-bonded Turntrans-70.6-14.3174-73.4-18.9000112.7R878 F880 F884 K889R878-D882 WeakPolarHBondContact O-CB 3.34Å; R878-D882 PolarHBondContact O-N 2.91Å; F880-D882 VanDerWaalsContact C-N 3.25Å; F880-D882 PolarHBondContact O-N 3.22Å; D882-F884 VanDerWaalsContact C-N 3.29Å; D882-K889 IonicContact OD1-NZ 3.36Å; D882-K889 PolarHBondContact OD1-NZ 3.27Å
883Q88.3Confident91.5Very high141 Ų14180 Ų8066%0.65940%0.398SS*.THydrogen-bonded Turntrans-83.5-8.5172.1-55.1175.919.600112R879 F880 S881R879-Q883 PolarHBondContact O-NE2 3.47Å; F880-Q883 VanDerWaalsContact O-CB 3.32Å; F880-Q883 WeakPolarHBondContact O-CB 3.28Å; F880-Q883 PolarHBondContact O-N 3.26Å; S881-Q883 PolarHBondContact O-N 3.41Å
884F91.8Very high91.6Very high17 Ų1782.4 Ų82.48%0.07542%0.415CS..SBendtrans-78.1144.2-178-66.11.6000110.9I841 C844 F880 S881 D882 L886 L888 K889 L892I841-F884 HydrophobicContact CB-CD1 4.45Å; I841-F884 HydrophobicContact CB-CE1 3.87Å; I841-F884 HydrophobicContact CD1-CD1 3.46Å; I841-F884 VanDerWaalsContact CD1-CD1 3.46Å; I841-F884 HydrophobicContact CD1-CE1 3.75Å; I841-F884 HydrophobicContact CD1-CG 4.43Å; I841-F884 HydrophobicContact CG1-CD1 3.66Å; I841-F884 HydrophobicContact CG1-CE1 3.53Å; I841-F884 HydrophobicContact CG1-CZ 4.3Å; C844-F884 HydrophobicContact CB-CE2 4.27Å; C844-F884 HydrophobicContact CB-CZ 4.3Å; F880-F884 AromaticContact CD1-CE1 3.89Å; F880-F884 HydrophobicContact CD1-CE1 3.89Å; F880-F884 AromaticContact CD1-CZ 3.84Å; F880-F884 HydrophobicContact CD1-CZ 3.84Å; F880-F884 AromaticContact CE1-CE1 3.48Å; F880-F884 HydrophobicContact CE1-CE1 3.48Å; F880-F884 VanDerWaalsContact CE1-CE1 3.48Å; F880-F884 AromaticContact CE1-CZ 3.37Å; F880-F884 HydrophobicContact CE1-CZ 3.37Å; F880-F884 AromaticContact CZ-CE1 3.83Å; F880-F884 HydrophobicContact CZ-CE1 3.83Å; F880-F884 HydrophobicContact CZ-CZ 4.09Å; S881-F884 VanDerWaalsContact O-CB 3.29Å; S881-F884 WeakPolarHBondContact O-CB 3.48Å; S881-F884 PolarHBondContact O-N 3.34Å; S881-F884 VanDerWaalsContact O-N 3.13Å; D882-F884 VanDerWaalsContact C-N 3.29Å; F884-L886 PolarHBondContact O-N 3.16Å; F884-L888 HydrophobicContact CB-CD2 4.24Å; F884-L888 HydrophobicContact CD2-CD2 4.08Å; F884-L888 HydrophobicContact CD2-CG 4.19Å; F884-L888 HydrophobicContact CG-CD2 4.12Å; F884-K889 HydrophobicContact CB-CB 4.49Å; F884-L892 HydrophobicContact CD2-CD1 3.97Å; F884-L892 HydrophobicContact CE2-CD1 3.69Å
885P92.3Very high91.6Very high78 Ų7881.6 Ų81.651%0.50641%0.407SS..  trans-53.6140.3164.2-23.934.2000110.8P887 L888 K889P885-P887 VanDerWaalsContact C-CD 3.45Å; P885-P887 VanDerWaalsContact C-N 3.35Å; P885-L888 WeakPolarHBondContact O-CB 3.06Å; P885-L888 PolarHBondContact O-N 2.74Å; P885-K889 PolarHBondContact O-N 2.81Å; P885-K889 VanDerWaalsContact O-N 3.14Å
886L92.1Very high91.8Very high115 Ų11575.3 Ų75.360%0.60238%0.377SS*.Hα-helixtrans-52.7-44.2-177.3-176.866000113.4F884 L888 K889 E890F884-L886 PolarHBondContact O-N 3.16Å; L886-L888 VanDerWaalsContact C-N 3.3Å; L886-L888 PolarHBondContact O-N 2.74Å; L886-K889 PolarHBondContact O-N 3.03Å; L886-E890 HydrophobicContact CD1-CG 4.27Å; L886-E890 HydrophobicContact CG-CG 4.43Å; L886-E890 WeakPolarHBondContact O-CG 3.28Å; L886-E890 PolarHBondContact O-N 2.64Å
887P91.6Very high91.9Very high93 Ų9373.5 Ų73.560%0.60438%0.379SS*.Hα-helixtrans-60.5-37.8178.4-24.435.3000113.4P885 R891P885-P887 VanDerWaalsContact C-CD 3.45Å; P885-P887 VanDerWaalsContact C-N 3.35Å; P887-R891 WeakPolarHBondContact O-CB 3.43Å; P887-R891 PolarHBondContact O-N 2.86Å
888L94Very high91.8Very high9 Ų974.3 Ų74.35%0.04739%0.385CS..Hα-helixtrans-64.8-47177.2175.857.4000110.6I841 D845 A848 F884 P885 L886 E890 R891 L892I841-L888 HydrophobicContact CG1-CD2 4.36Å; D845-L888 HydrophobicContact CB-CD1 4.34Å; D845-L888 HydrophobicContact CB-CD2 4.11Å; A848-L888 HydrophobicContact CB-CD1 3.42Å; A848-L888 VanDerWaalsContact CB-CD1 3.42Å; F884-L888 HydrophobicContact CB-CD2 4.24Å; F884-L888 HydrophobicContact CD2-CD2 4.08Å; F884-L888 HydrophobicContact CD2-CG 4.19Å; F884-L888 HydrophobicContact CG-CD2 4.12Å; P885-L888 WeakPolarHBondContact O-CB 3.06Å; P885-L888 PolarHBondContact O-N 2.74Å; L886-L888 VanDerWaalsContact C-N 3.3Å; L886-L888 PolarHBondContact O-N 2.74Å; L888-E890 VanDerWaalsContact C-N 3.35Å; L888-E890 PolarHBondContact O-N 3.31Å; L888-R891 PolarHBondContact O-N 3.34Å; L888-L892 HydrophobicContact CD1-CD1 3.86Å; L888-L892 HydrophobicContact CD1-CD2 4.5Å; L888-L892 HydrophobicContact CD1-CG 3.95Å; L888-L892 HydrophobicContact CG-CD1 3.97Å; L888-L892 HydrophobicContact CG-CG 4.47Å; L888-L892 WeakPolarHBondContact O-CG 3.39Å; L888-L892 PolarHBondContact O-N 3.36Å
889K92.8Very high91.9Very high79 Ų7969.5 Ų69.534%0.34337%0.372SS..Hα-helixtrans-59.7-45.1179.3-171.4173.6-174.9169.40111.8D882 F884 P885 L886 A893D882-K889 IonicContact OD1-NZ 3.36Å; D882-K889 PolarHBondContact OD1-NZ 3.27Å; F884-K889 HydrophobicContact CB-CB 4.49Å; P885-K889 PolarHBondContact O-N 2.81Å; P885-K889 VanDerWaalsContact O-N 3.14Å; L886-K889 PolarHBondContact O-N 3.03Å; K889-A893 WeakPolarHBondContact O-CB 3.47Å; K889-A893 PolarHBondContact O-N 3.22Å; K889-A893 VanDerWaalsContact O-N 3.09Å
890E93.3Very high92Very high119 Ų11964.2 Ų64.256%0.55636%0.358SS*.Hα-helixtrans-64.2-43.1177.9-70.8177165.800111.8L886 L888 A893 A894L886-E890 HydrophobicContact CD1-CG 4.27Å; L886-E890 HydrophobicContact CG-CG 4.43Å; L886-E890 WeakPolarHBondContact O-CG 3.28Å; L886-E890 PolarHBondContact O-N 2.64Å; L888-E890 VanDerWaalsContact C-N 3.35Å; L888-E890 PolarHBondContact O-N 3.31Å; E890-A893 PolarHBondContact O-N 3.31Å; E890-A894 VanDerWaalsContact O-CB 3.3Å; E890-A894 WeakPolarHBondContact O-CB 3.49Å; E890-A894 PolarHBondContact O-N 3.29Å
891R93.1Very high92.2Very high89 Ų8964.7 Ų64.734%0.33636%0.364SS..Hα-helixtrans-65.9-43.5179.8-163.8158.2-175.9-179.5-15.1112A848 S849 W850 P887 L888 A893 A894 F895A848-R891 HydrophobicContact CB-CB 4.42Å; A848-R891 HydrophobicContact CB-CG 4.24Å; A848-R891 VanDerWaalsContact O-CD 3.23Å; A848-R891 WeakPolarHBondContact O-CD 3.36Å; A848-R891 PolarHBondContact O-NE 3.46Å; A848-R891 PolarHBondContact O-NH2 2.88Å; A848-R891 VanDerWaalsContact O-NH2 3.12Å; S849-R891 PolarHBondContact O-NH2 3.39Å; S849-R891 VanDerWaalsContact O-NH2 3.16Å; W850-R891 PolarHBondContact O-NH2 2.85Å; P887-R891 WeakPolarHBondContact O-CB 3.43Å; P887-R891 PolarHBondContact O-N 2.86Å; L888-R891 PolarHBondContact O-N 3.34Å; R891-A893 PolarHBondContact O-N 3.02Å; R891-A894 PolarHBondContact O-N 2.77Å; R891-F895 HydrophobicContact CG-CD2 3.84Å; R891-F895 HydrophobicContact CG-CE2 4.11Å; R891-F895 WeakPolarHBondContact O-CB 3.25Å; R891-F895 WeakPolarHBondContact O-CD2 3.41Å; R891-F895 PolarHBondContact O-N 2.84Å
892L94.8Very high92.3Very high3 Ų368 Ų682%0.01638%0.382CS..Hα-helixtrans-63.4-41.7176.2-68.2172.1000112.4C844 A848 L865 F884 L888 Y896 G897 V898C844-L892 HydrophobicContact CB-CD1 3.9Å; A848-L892 HydrophobicContact CB-CD2 4.15Å; A848-L892 HydrophobicContact CB-CG 4.48Å; L865-L892 HydrophobicContact CD1-CD2 4.19Å; F884-L892 HydrophobicContact CD2-CD1 3.97Å; F884-L892 HydrophobicContact CE2-CD1 3.69Å; L888-L892 HydrophobicContact CD1-CD1 3.86Å; L888-L892 HydrophobicContact CD1-CD2 4.5Å; L888-L892 HydrophobicContact CD1-CG 3.95Å; L888-L892 HydrophobicContact CG-CD1 3.97Å; L888-L892 HydrophobicContact CG-CG 4.47Å; L888-L892 WeakPolarHBondContact O-CG 3.39Å; L888-L892 PolarHBondContact O-N 3.36Å; L892-Y896 HydrophobicContact CD2-CD2 3.97Å; L892-Y896 HydrophobicContact CD2-CE2 4.4Å; L892-Y896 CarbonylContact O-C 3.52Å; L892-Y896 WeakPolarHBondContact O-CA 3.37Å; L892-Y896 WeakPolarHBondContact O-CB 3.44Å; L892-Y896 PolarHBondContact O-N 2.92Å; L892-G897 PolarHBondContact O-N 3.14Å; L892-V898 HydrophobicContact CB-CG2 4.05Å
893A93.3Very high92.5Very high55 Ų5565.6 Ų65.646%0.45537%0.37SS..Hα-helixtrans-64.7-42.7176.500000111.9K889 E890 R891 G897K889-A893 WeakPolarHBondContact O-CB 3.47Å; K889-A893 PolarHBondContact O-N 3.22Å; K889-A893 VanDerWaalsContact O-N 3.09Å; E890-A893 PolarHBondContact O-N 3.31Å; R891-A893 PolarHBondContact O-N 3.02Å; A893-G897 WeakPolarHBondContact O-CA 3.36Å; A893-G897 PolarHBondContact O-N 3.03Å
894A93Very high92.8Very high78 Ų7860.5 Ų60.565%0.64535%0.351SS*.Hα-helixtrans-69.5-43-178.700000113.1E890 R891E890-A894 VanDerWaalsContact O-CB 3.3Å; E890-A894 WeakPolarHBondContact O-CB 3.49Å; E890-A894 PolarHBondContact O-N 3.29Å; R891-A894 PolarHBondContact O-N 2.77Å
895F92.4Very high92.8Very high87 Ų8763.6 Ų63.638%0.38237%0.37SS..Hα-helixtrans-93.1-31.4-172.8-77.5-95.9000114.1R858 R891R858-F895 PolarHBondContact NH2-O 2.96Å; R891-F895 HydrophobicContact CG-CD2 3.84Å; R891-F895 HydrophobicContact CG-CE2 4.11Å; R891-F895 WeakPolarHBondContact O-CB 3.25Å; R891-F895 WeakPolarHBondContact O-CD2 3.41Å; R891-F895 PolarHBondContact O-N 2.84Å
896Y94.6Very high92.9Very high12 Ų1262.5 Ų62.55%0.04736%0.36CS..Hα-helixtrans-126.2-8.9-171.6-53.8-73.6000114.2V847 R858 F861 L865 H866 L892 V898V847-Y896 HydrophobicContact CG1-CD2 4.23Å; V847-Y896 HydrophobicContact CG1-CE1 4.22Å; V847-Y896 HydrophobicContact CG1-CE2 3.52Å; V847-Y896 PolarHBondContact O-OH 2.94Å; V847-Y896 VanDerWaalsContact O-OH 3.05Å; R858-Y896 HydrophobicContact CG-CD1 4.45Å; R858-Y896 HydrophobicContact CG-CE1 3.94Å; F861-Y896 HydrophobicContact CB-CD1 4.21Å; F861-Y896 HydrophobicContact CB-CE1 3.73Å; F861-Y896 AromaticContact CD2-CE1 3.95Å; F861-Y896 HydrophobicContact CD2-CE1 3.95Å; F861-Y896 AromaticContact CD2-CZ 3.98Å; F861-Y896 WeakPolarHBondContact CD2-OH 3.19Å; F861-Y896 HydrophobicContact CG-CE1 4.35Å; L865-Y896 HydrophobicContact CD1-CD1 4.21Å; L865-Y896 HydrophobicContact CD1-CD2 3.87Å; L865-Y896 HydrophobicContact CD1-CG 3.64Å; H866-Y896 PolarHBondContact NE2-O 2.91Å; L892-Y896 HydrophobicContact CD2-CD2 3.97Å; L892-Y896 HydrophobicContact CD2-CE2 4.4Å; L892-Y896 CarbonylContact O-C 3.52Å; L892-Y896 WeakPolarHBondContact O-CA 3.37Å; L892-Y896 WeakPolarHBondContact O-CB 3.44Å; L892-Y896 PolarHBondContact O-N 2.92Å; Y896-V898 PolarHBondContact O-N 2.78Å
897G92.4Very high92.9Very high47 Ų4758.2 Ų58.249%0.48534%0.34SS..  trans69.925.5173.700000115.3L892 A893L892-G897 PolarHBondContact O-N 3.14Å; A893-G897 WeakPolarHBondContact O-CA 3.36Å; A893-G897 PolarHBondContact O-N 3.03Å
898V90Very high93.1Very high27 Ų2755 Ų5516%0.16432%0.316CS..  trans-103.20179.7-71.50000114.6L865 H866 K869 W877 L892 Y896L865-V898 HydrophobicContact CB-CG1 3.86Å; L865-V898 HydrophobicContact CB-CG2 4.1Å; L865-V898 HydrophobicContact CD1-CG2 4.12Å; L865-V898 HydrophobicContact CG-CG2 4.5Å; H866-V898 WeakPolarHBondContact NE2-CG1 3.38Å; K869-V898 HydrophobicContact CD-CB 4.33Å; K869-V898 HydrophobicContact CD-CG1 4.21Å; K869-V898 PolarHBondContact NZ-OXT 3.48Å; W877-V898 HydrophobicContact CZ2-CB 3.8Å; W877-V898 HydrophobicContact CZ2-CG2 4.02Å; W877-V898 PolarHBondContact NE1-OXT 3.03Å; L892-V898 HydrophobicContact CB-CG2 4.05Å; Y896-V898 PolarHBondContact O-N 2.78Å

Retrieved 898 of 898 residues in 805.8 ms (Link to these results)