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NADH-ubiquinone oxidoreductase chain 5

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A023QG09, Species HUMAN (Homo sapiens, Human), Gene ND5, Length 601 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
1M70.4Confident81.7Confident161 Ų16156 Ų5679%0.79331%0.307SS*.  0-53.50-70.5-120.6-168.400112.1T4 M5M1-T4 VanDerWaalsContact C-OG1 3.31Å; M1-T4 WeakPolarHBondContact CA-OG1 3.48Å; M1-T4 PolarHBondContact O-N 2.88Å; M1-T4 PolarHBondContact O-OG1 2.83Å; M1-M5 WeakPolarHBondContact O-CB 3.34Å; M1-M5 WeakPolarHBondContact O-CG 3.24Å; M1-M5 PolarHBondContact O-N 2.94Å
2H74.3Confident82.5Confident26 Ų2653.3 Ų53.312%0.1230%0.295CS..Hα-helixtrans-56.6-54.1177.9-175.6-97.4000112.7T4 M5 T6 M85H2-T4 PolarHBondContact O-N 2.88Å; H2-M5 PolarHBondContact O-N 3.33Å; H2-T6 WeakPolarHBondContact O-CG2 3.43Å; H2-T6 PolarHBondContact O-N 2.98Å; H2-T6 PolarHBondContact O-OG1 2.94Å; H2-M85 WeakPolarHBondContact CE1-CE 3.47Å; H2-M85 WeakPolarHBondContact NE2-CE 3.26Å
3T78Confident83.3Confident58 Ų5849.3 Ų49.336%0.35627%0.273SS..Hα-helixtrans-58.3-47.517750.40000112.9M5 T6 T7 V59 I61T3-M5 PolarHBondContact O-N 3.43Å; T3-T6 WeakPolarHBondContact CA-OG1 3.46Å; T3-T6 PolarHBondContact O-N 2.86Å; T3-T6 PolarHBondContact O-OG1 3.06Å; T3-T7 WeakPolarHBondContact O-CG2 3.32Å; T3-T7 PolarHBondContact O-N 3.12Å; T3-T7 PolarHBondContact O-OG1 3.29Å; T3-V59 HydrophobicContact CG2-CG1 3.77Å; T3-I61 HydrophobicContact CG2-CD1 3.89Å; T3-I61 HydrophobicContact CG2-CG1 4.09Å
4T81.1Confident83.8Confident80 Ų8051.1 Ų51.149%0.49128%0.281SS..Hα-helixtrans-63.6-37.7-179.852.10000112.9M1 H2 T7 L8M1-T4 VanDerWaalsContact C-OG1 3.31Å; M1-T4 WeakPolarHBondContact CA-OG1 3.48Å; M1-T4 PolarHBondContact O-N 2.88Å; M1-T4 PolarHBondContact O-OG1 2.83Å; H2-T4 PolarHBondContact O-N 2.88Å; T4-T7 PolarHBondContact O-OG1 3.23Å; T4-L8 WeakPolarHBondContact O-CB 3.33Å; T4-L8 PolarHBondContact O-N 3.25Å; T4-L8 VanDerWaalsContact O-N 3.08Å
5M82.6Confident84.3Confident58 Ų5851.1 Ų51.129%0.28628%0.284SS..Hα-helixtrans-71.3-39.5175.8-71.7-58.6-162.500111.3M1 H2 T3 L8 T9 F47M1-M5 WeakPolarHBondContact O-CB 3.34Å; M1-M5 WeakPolarHBondContact O-CG 3.24Å; M1-M5 PolarHBondContact O-N 2.94Å; H2-M5 PolarHBondContact O-N 3.33Å; T3-M5 PolarHBondContact O-N 3.43Å; M5-L8 WeakPolarHBondContact O-CB 3.37Å; M5-L8 PolarHBondContact O-N 2.73Å; M5-L8 HydrophobicContact SD-CD2 4.26Å; M5-T9 WeakPolarHBondContact O-CG2 3.45Å; M5-T9 PolarHBondContact O-N 3.07Å; M5-F47 HydrophobicContact CG-CD1 4Å
6T80.3Confident84.6Confident4 Ų447.9 Ų47.93%0.02527%0.267CS..Hα-helixtrans-65.8-42.1178.358.90000111.9H2 T3 L8 T9 L10 P48 I61 L80 M85H2-T6 WeakPolarHBondContact O-CG2 3.43Å; H2-T6 PolarHBondContact O-N 2.98Å; H2-T6 PolarHBondContact O-OG1 2.94Å; T3-T6 WeakPolarHBondContact CA-OG1 3.46Å; T3-T6 PolarHBondContact O-N 2.86Å; T3-T6 PolarHBondContact O-OG1 3.06Å; T6-L8 VanDerWaalsContact C-N 3.3Å; T6-L8 PolarHBondContact O-N 3.3Å; T6-T9 PolarHBondContact O-N 3.48Å; T6-T9 PolarHBondContact O-OG1 2.78Å; T6-L10 PolarHBondContact O-N 3.22Å; T6-P48 HydrophobicContact CG2-CB 3.4Å; T6-P48 VanDerWaalsContact CG2-CB 3.4Å; T6-P48 HydrophobicContact CG2-CG 3.89Å; T6-I61 WeakPolarHBondContact OG1-CD1 3.49Å; T6-L80 HydrophobicContact CG2-CD1 3.64Å; T6-L80 VanDerWaalsContact OG1-CD1 3.27Å; T6-L80 WeakPolarHBondContact OG1-CD1 3.4Å; T6-M85 HydrophobicContact CG2-CE 3.63Å
7T83.5Confident84.9Confident40 Ų4047.2 Ų47.225%0.24526%0.261CS..Hα-helixtrans-63.5-40.2173.754.70000110.8T3 T4 T9 L10 T11 I61T3-T7 WeakPolarHBondContact O-CG2 3.32Å; T3-T7 PolarHBondContact O-N 3.12Å; T3-T7 PolarHBondContact O-OG1 3.29Å; T4-T7 PolarHBondContact O-OG1 3.23Å; T7-T9 VanDerWaalsContact C-N 3.33Å; T7-T9 PolarHBondContact O-N 3.22Å; T7-L10 PolarHBondContact O-N 3.14Å; T7-T11 WeakPolarHBondContact O-CG2 3.3Å; T7-T11 PolarHBondContact O-N 2.91Å; T7-T11 PolarHBondContact O-OG1 3.46Å; T7-T11 VanDerWaalsContact O-OG1 3.05Å; T7-I61 HydrophobicContact CG2-CD1 4.24Å
8L87.4Confident85Confident78 Ų7849.8 Ų49.841%0.40828%0.275SS..Hα-helixtrans-57.7-41.3173.6-165.383.7000112.4T4 M5 T6 L10 T11 S12 I44T4-L8 WeakPolarHBondContact O-CB 3.33Å; T4-L8 PolarHBondContact O-N 3.25Å; T4-L8 VanDerWaalsContact O-N 3.08Å; M5-L8 WeakPolarHBondContact O-CB 3.37Å; M5-L8 PolarHBondContact O-N 2.73Å; M5-L8 HydrophobicContact SD-CD2 4.26Å; T6-L8 VanDerWaalsContact C-N 3.3Å; T6-L8 PolarHBondContact O-N 3.3Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 3.43Å; L8-T11 WeakPolarHBondContact CA-OG1 3.31Å; L8-T11 PolarHBondContact O-N 2.94Å; L8-T11 PolarHBondContact O-OG1 2.93Å; L8-S12 WeakPolarHBondContact O-CB 3.2Å; L8-S12 PolarHBondContact O-N 3.44Å; L8-S12 PolarHBondContact O-OG 2.69Å; L8-I44 HydrophobicContact CB-CG2 4.41Å; L8-I44 HydrophobicContact CD2-CD1 3.89Å; L8-I44 HydrophobicContact CD2-CG1 4.34Å; L8-I44 HydrophobicContact CD2-CG2 3.78Å; L8-I44 HydrophobicContact CG-CD1 4.48Å; L8-I44 HydrophobicContact CG-CG2 4.41Å
9T86.3Confident85Confident6 Ų650.4 Ų50.44%0.03728%0.279CS..Hα-helixtrans-60.5-41.7177.463.60000112.3M5 T6 T7 S12 I44M5-T9 WeakPolarHBondContact O-CG2 3.45Å; M5-T9 PolarHBondContact O-N 3.07Å; T6-T9 PolarHBondContact O-N 3.48Å; T6-T9 PolarHBondContact O-OG1 2.78Å; T7-T9 VanDerWaalsContact C-N 3.33Å; T7-T9 PolarHBondContact O-N 3.22Å; T9-S12 PolarHBondContact O-OG 2.65Å; T9-I44 HydrophobicContact CG2-CB 4.12Å; T9-I44 HydrophobicContact CG2-CG2 3.53Å
10L85.8Confident84.9Confident30 Ų3049.5 Ų49.516%0.15728%0.276CS..Hα-helixtrans-75.1-41.3-179-66.4173.7000111.3T6 T7 L8 F78 L127 T131T6-L10 PolarHBondContact O-N 3.22Å; T7-L10 PolarHBondContact O-N 3.14Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 3.43Å; L10-F78 HydrophobicContact CD1-CD1 4.01Å; L10-F78 HydrophobicContact CD1-CD2 4.29Å; L10-F78 HydrophobicContact CD1-CE1 3.87Å; L10-F78 HydrophobicContact CD1-CE2 4.16Å; L10-F78 HydrophobicContact CD1-CG 4.19Å; L10-F78 HydrophobicContact CD1-CZ 3.93Å; L10-L127 HydrophobicContact CD2-CB 4.16Å; L10-T131 HydrophobicContact CD2-CG2 4.43Å
11T88.8Confident84.8Confident75 Ų7553.3 Ų53.346%0.4630%0.295SS..Hα-helixtrans-74.6-28.6-176.957.30000113.1T7 L8 L13 I14 P15T7-T11 WeakPolarHBondContact O-CG2 3.3Å; T7-T11 PolarHBondContact O-N 2.91Å; T7-T11 PolarHBondContact O-OG1 3.46Å; T7-T11 VanDerWaalsContact O-OG1 3.05Å; L8-T11 WeakPolarHBondContact CA-OG1 3.31Å; L8-T11 PolarHBondContact O-N 2.94Å; L8-T11 PolarHBondContact O-OG1 2.93Å; T11-L13 PolarHBondContact O-N 3.21Å; T11-I14 WeakPolarHBondContact O-CB 3.19Å; T11-I14 PolarHBondContact O-N 3.4Å; T11-I14 VanDerWaalsContact O-N 3.15Å; T11-P15 WeakPolarHBondContact O-CD 3.39Å
12S91.6Very high85.3Confident23 Ų2351 Ų5116%0.16129%0.289CS..THydrogen-bonded Turntrans-66.4-15-177.449.70000114.4L8 T9 P15 I37 T41L8-S12 WeakPolarHBondContact O-CB 3.2Å; L8-S12 PolarHBondContact O-N 3.44Å; L8-S12 PolarHBondContact O-OG 2.69Å; T9-S12 PolarHBondContact O-OG 2.65Å; S12-P15 WeakPolarHBondContact O-CD 3.26Å; S12-I37 VanDerWaalsContact O-CG2 3.25Å; S12-I37 WeakPolarHBondContact O-CG2 3.5Å; S12-T41 WeakPolarHBondContact OG-CG2 3.37Å
13L92.4Very high85.4Confident2 Ų254.1 Ų54.11%0.0131%0.307CS..THydrogen-bonded Turntrans-84.9-13.7175-65.5173.6000114.1T11 P16 I37 V38 T41 L92 L120 L123 I124 L127T11-L13 PolarHBondContact O-N 3.21Å; L13-P16 WeakPolarHBondContact O-CD 3.13Å; L13-I37 HydrophobicContact CD2-CG2 4.35Å; L13-V38 HydrophobicContact CD2-CG2 4.14Å; L13-T41 HydrophobicContact CD2-CG2 3.61Å; L13-T41 HydrophobicContact CG-CG2 3.98Å; L13-L92 HydrophobicContact CD1-CD2 4.35Å; L13-L120 HydrophobicContact CB-CD1 4.41Å; L13-L120 HydrophobicContact CD2-CD1 3.99Å; L13-L123 HydrophobicContact CD1-CD2 4.07Å; L13-L123 HydrophobicContact CD1-CG 4.28Å; L13-L123 HydrophobicContact CD2-CD2 4.11Å; L13-I124 HydrophobicContact CB-CD1 4.01Å; L13-I124 HydrophobicContact CB-CG1 3.87Å; L13-I124 HydrophobicContact CD1-CG1 4.21Å; L13-L127 HydrophobicContact CD1-CD1 3.26Å
14I91.3Very high84.8Confident75 Ų7556.2 Ų56.239%0.38532%0.322SS..Hα-helixtrans-75.9-38.8-177-58173.8000113.9T11 P16 I17 L18T11-I14 WeakPolarHBondContact O-CB 3.19Å; T11-I14 PolarHBondContact O-N 3.4Å; T11-I14 VanDerWaalsContact O-N 3.15Å; I14-P16 VanDerWaalsContact C-CD 3.48Å; I14-I17 PolarHBondContact O-N 2.99Å; I14-L18 HydrophobicContact CG2-CD1 3.8Å; I14-L18 HydrophobicContact CG2-CG 3.93Å; I14-L18 PolarHBondContact O-N 3.3Å
15P90.4Very high83.8Confident51 Ų5159.8 Ų59.833%0.33134%0.338SS..Hα-helixtrans-52.5-43.8-175.4-24.831.4000115.3T11 S12 I17 L18 T19T11-P15 WeakPolarHBondContact O-CD 3.39Å; S12-P15 WeakPolarHBondContact O-CD 3.26Å; P15-I17 VanDerWaalsContact C-N 3.27Å; P15-I17 PolarHBondContact O-N 3.25Å; P15-L18 PolarHBondContact O-N 2.97Å; P15-T19 WeakPolarHBondContact O-CG2 3.49Å; P15-T19 PolarHBondContact O-N 3.23Å
16P89.1Confident82.7Confident0 Ų064.5 Ų64.50%036%0.357CS..Hα-helixtrans-57.8-39.1176.8-19.628.4000113.4L13 I14 T19 T20 Y30 Y33 V34 I37 L120L13-P16 WeakPolarHBondContact O-CD 3.13Å; I14-P16 VanDerWaalsContact C-CD 3.48Å; P16-T19 PolarHBondContact O-N 2.91Å; P16-T19 PolarHBondContact O-OG1 2.96Å; P16-T20 PolarHBondContact O-N 3.25Å; P16-Y30 HydrophobicContact CB-CE2 4.15Å; P16-Y33 HydrophobicContact CB-CD1 4.31Å; P16-Y33 HydrophobicContact CB-CE1 3.98Å; P16-Y33 HydrophobicContact CG-CD1 4.5Å; P16-Y33 HydrophobicContact CG-CE1 4.01Å; P16-V34 HydrophobicContact CB-CG2 4.02Å; P16-I37 HydrophobicContact CG-CB 4.42Å; P16-I37 HydrophobicContact CG-CD1 3.5Å; P16-I37 VanDerWaalsContact CG-CD1 3.5Å; P16-I37 HydrophobicContact CG-CG2 4.18Å; P16-L120 HydrophobicContact CB-CD2 3.56Å; P16-L120 HydrophobicContact CG-CD2 3.82Å
17I89.9Confident81.6Confident35 Ų3571.8 Ų71.818%0.17939%0.388CS..Hα-helixtrans-66.4-45.1178.7-62.7172.8000109.9I14 P15 T19 T20 L21 L120 I121 I124I14-I17 PolarHBondContact O-N 2.99Å; P15-I17 VanDerWaalsContact C-N 3.27Å; P15-I17 PolarHBondContact O-N 3.25Å; I17-T19 VanDerWaalsContact C-N 3.28Å; I17-T19 PolarHBondContact O-N 3.1Å; I17-T20 PolarHBondContact O-N 3.05Å; I17-T20 VanDerWaalsContact O-N 3.11Å; I17-T20 PolarHBondContact O-OG1 3.01Å; I17-L21 PolarHBondContact O-N 3.31Å; I17-L120 HydrophobicContact CD1-CD2 4.24Å; I17-L120 HydrophobicContact CD1-CG 4.34Å; I17-L120 HydrophobicContact CG1-CD2 3.78Å; I17-L120 HydrophobicContact CG1-CG 4.37Å; I17-I121 HydrophobicContact CD1-CG1 3.73Å; I17-I121 HydrophobicContact CG1-CG1 4.34Å; I17-I124 HydrophobicContact CD1-CD1 3.27Å
18L87.5Confident80.5Confident95 Ų9577.3 Ų77.350%0.49742%0.416SS..Hα-helixtrans-59.5-39.4176.5-66.4174.4000111.9I14 P15 T20 L21 V22I14-L18 HydrophobicContact CG2-CD1 3.8Å; I14-L18 HydrophobicContact CG2-CG 3.93Å; I14-L18 PolarHBondContact O-N 3.3Å; P15-L18 PolarHBondContact O-N 2.97Å; L18-T20 VanDerWaalsContact C-N 3.27Å; L18-T20 PolarHBondContact O-N 2.81Å; L18-L21 HydrophobicContact CD2-CD1 4.3Å; L18-L21 WeakPolarHBondContact O-CB 2.94Å; L18-L21 PolarHBondContact O-N 3.17Å; L18-L21 VanDerWaalsContact O-N 3.08Å; L18-V22 PolarHBondContact O-N 3.48Å
19T84.3Confident80.1Confident60 Ų6077 Ų7737%0.36842%0.421SS..Hα-helixtrans-61.2-35.7177.361.80000112.6P15 P16 I17 L21 V22 N23 Y33P15-T19 WeakPolarHBondContact O-CG2 3.49Å; P15-T19 PolarHBondContact O-N 3.23Å; P16-T19 PolarHBondContact O-N 2.91Å; P16-T19 PolarHBondContact O-OG1 2.96Å; I17-T19 VanDerWaalsContact C-N 3.28Å; I17-T19 PolarHBondContact O-N 3.1Å; T19-L21 VanDerWaalsContact C-N 3.3Å; T19-L21 PolarHBondContact O-N 2.68Å; T19-V22 PolarHBondContact O-N 3.13Å; T19-N23 PolarHBondContact O-N 3.37Å; T19-N23 VanDerWaalsContact O-N 3.09Å; T19-Y33 HydrophobicContact CG2-CE1 4.46Å
20T83.6Confident80.3Confident33 Ų3377.8 Ų77.820%0.20242%0.423CS..Hα-helixtrans-69.2-26.2176.566.70000113.5P16 I17 L18 Y30 K117P16-T20 PolarHBondContact O-N 3.25Å; I17-T20 PolarHBondContact O-N 3.05Å; I17-T20 VanDerWaalsContact O-N 3.11Å; I17-T20 PolarHBondContact O-OG1 3.01Å; L18-T20 VanDerWaalsContact C-N 3.27Å; L18-T20 PolarHBondContact O-N 2.81Å; T20-Y30 HydrophobicContact CG2-CD2 4.2Å; T20-Y30 HydrophobicContact CG2-CE1 4.42Å; T20-Y30 HydrophobicContact CG2-CE2 3.43Å; T20-Y30 VanDerWaalsContact CG2-CE2 3.43Å; T20-K117 HydrophobicContact CG2-CD 4.22Å
21L82.9Confident80.5Confident130 Ų13076.7 Ų76.768%0.68142%0.417SS*.Hα-helixtrans-75.3-37.7175.8-67.1171.2000111.7I17 L18 T19I17-L21 PolarHBondContact O-N 3.31Å; L18-L21 HydrophobicContact CD2-CD1 4.3Å; L18-L21 WeakPolarHBondContact O-CB 2.94Å; L18-L21 PolarHBondContact O-N 3.17Å; L18-L21 VanDerWaalsContact O-N 3.08Å; T19-L21 VanDerWaalsContact C-N 3.3Å; T19-L21 PolarHBondContact O-N 2.68Å
22V81.1Confident80.7Confident111 Ų11178.2 Ų78.267%0.67342%0.419SS*.Hα-helixtrans-76.6-42.1-177.9178.20000111.8L18 T19L18-V22 PolarHBondContact O-N 3.48Å; T19-V22 PolarHBondContact O-N 3.13Å
23N75.1Confident80.7Confident93 Ų9381.3 Ų81.350%0.49743%0.428SS..  trans-136.485.3-176.5-79.7-39.9000111.3T19 N25T19-N23 PolarHBondContact O-N 3.37Å; T19-N23 VanDerWaalsContact O-N 3.09Å; N23-N25 PolarHBondContact O-N 2.83Å
24P67Low80.8Confident102 Ų10281.2 Ų81.266%0.66243%0.427SS*.THydrogen-bonded Turntrans-65.9-23.3-177.825.6-34.1000113.5
25N59.6Low81Confident155 Ų15579.6 Ų79.683%0.82942%0.418SS*.THydrogen-bonded Turntrans-1074.3-165.7-66.3-7.2000115.6N23N23-N25 PolarHBondContact O-N 2.83Å
26K58.8Low81.2Confident156 Ų15680.2 Ų80.268%0.67842%0.423SS*.  trans-124.6141.8177.9-74.9-179.4179.11740110.8
27K58.5Low81.5Confident157 Ų15781 Ų8168%0.68343%0.428SS*.  cis-166131.4-18.4-113.7-177.9-176-175.40105.7S29K27-S29 PolarHBondContact O-N 2.93Å
28N59.3Low81.7Confident156 Ų15679.4 Ų79.483%0.83442%0.419SS*.SBendtrans38-23.3163-62.37.8000123.2
29S79.9Confident82.1Confident73 Ų7375.8 Ų75.851%0.5140%0.403SS..  trans-115.33.5-172.261.70000114.3K27 P31 H32 Y33K27-S29 PolarHBondContact O-N 2.93Å; S29-P31 VanDerWaalsContact C-CD 3.45Å; S29-P31 VanDerWaalsContact C-N 3.34Å; S29-H32 PolarHBondContact O-N 3Å; S29-H32 VanDerWaalsContact O-N 3.1Å; S29-Y33 PolarHBondContact O-N 3.46Å
30Y88.9Confident82.6Confident22 Ų2275.3 Ų75.39%0.08640%0.402CS..Hα-helixtrans-52.6-43.9178.6-179.7-97.8000113.3P16 T20 H32 Y33 V34 N113 F116 K117P16-Y30 HydrophobicContact CB-CE2 4.15Å; T20-Y30 HydrophobicContact CG2-CD2 4.2Å; T20-Y30 HydrophobicContact CG2-CE1 4.42Å; T20-Y30 HydrophobicContact CG2-CE2 3.43Å; T20-Y30 VanDerWaalsContact CG2-CE2 3.43Å; Y30-H32 VanDerWaalsContact C-N 3.33Å; Y30-H32 PolarHBondContact O-N 2.98Å; Y30-Y33 HydrophobicContact CD2-CD1 4.5Å; Y30-Y33 WeakPolarHBondContact O-CB 3.18Å; Y30-Y33 PolarHBondContact O-N 3.3Å; Y30-V34 HydrophobicContact CD1-CG2 3.99Å; Y30-V34 HydrophobicContact CD2-CG2 4.26Å; Y30-V34 HydrophobicContact CE1-CG2 3.52Å; Y30-V34 HydrophobicContact CE2-CG2 3.81Å; Y30-V34 HydrophobicContact CG-CG2 4.34Å; Y30-V34 VanDerWaalsContact CZ-CG2 3.42Å; Y30-V34 WeakPolarHBondContact O-CG2 3.13Å; Y30-V34 PolarHBondContact O-N 3.46Å; Y30-N113 HydrophobicContact CD1-CB 4.04Å; Y30-N113 WeakPolarHBondContact CE1-O 3.33Å; Y30-F116 HydrophobicContact CD1-CB 4.32Å; Y30-F116 HydrophobicContact CE1-CB 4.01Å; Y30-K117 HydrophobicContact CE1-CB 4.42Å
31P91.3Very high83.2Confident6 Ų673.8 Ų73.84%0.03939%0.393CS..Hα-helixtrans-61.7-39.9178.4-26.739.8000113S29 K35 L103 I112 N113 F116S29-P31 VanDerWaalsContact C-CD 3.45Å; S29-P31 VanDerWaalsContact C-N 3.34Å; P31-K35 WeakPolarHBondContact O-CB 3.45Å; P31-K35 PolarHBondContact O-N 2.83Å; P31-L103 HydrophobicContact CB-CD2 3.27Å; P31-L103 HydrophobicContact CG-CD2 4.46Å; P31-I112 HydrophobicContact CG-CD1 4.46Å; P31-I112 HydrophobicContact CG-CG1 4.32Å; P31-I112 HydrophobicContact CG-CG2 4.18Å; P31-N113 VanDerWaalsContact CD-OD1 3.26Å; P31-N113 WeakPolarHBondContact CD-OD1 3.28Å; P31-N113 WeakPolarHBondContact CG-OD1 3.41Å; P31-F116 HydrophobicContact CB-CD1 4.07Å; P31-F116 HydrophobicContact CB-CD2 3.89Å; P31-F116 HydrophobicContact CB-CE1 3.96Å; P31-F116 HydrophobicContact CB-CE2 3.78Å; P31-F116 HydrophobicContact CB-CG 4.03Å; P31-F116 HydrophobicContact CB-CZ 3.8Å; P31-F116 HydrophobicContact CG-CD2 4.21Å; P31-F116 HydrophobicContact CG-CE2 4.39Å
32H92.4Very high83.8Confident108 Ų10869.1 Ų69.150%0.537%0.367SS..Hα-helixtrans-68.2-39.5175.4-69.9-70.9000112.2S29 Y30 K35 S36S29-H32 PolarHBondContact O-N 3Å; S29-H32 VanDerWaalsContact O-N 3.1Å; Y30-H32 VanDerWaalsContact C-N 3.33Å; Y30-H32 PolarHBondContact O-N 2.98Å; H32-K35 PolarHBondContact O-N 3.35Å; H32-S36 WeakPolarHBondContact O-CB 3.49Å; H32-S36 PolarHBondContact O-N 3.01Å; H32-S36 PolarHBondContact O-OG 2.97Å
33Y92Very high84.5Confident87 Ų8769.3 Ų69.334%0.34136%0.363SS..Hα-helixtrans-60.6-50.1175.2175.7-120.5000111.4P16 T19 S29 Y30 K35 S36 I37P16-Y33 HydrophobicContact CB-CD1 4.31Å; P16-Y33 HydrophobicContact CB-CE1 3.98Å; P16-Y33 HydrophobicContact CG-CD1 4.5Å; P16-Y33 HydrophobicContact CG-CE1 4.01Å; T19-Y33 HydrophobicContact CG2-CE1 4.46Å; S29-Y33 PolarHBondContact O-N 3.46Å; Y30-Y33 HydrophobicContact CD2-CD1 4.5Å; Y30-Y33 WeakPolarHBondContact O-CB 3.18Å; Y30-Y33 PolarHBondContact O-N 3.3Å; Y33-K35 VanDerWaalsContact C-N 3.35Å; Y33-K35 PolarHBondContact O-N 2.83Å; Y33-S36 PolarHBondContact O-N 3.32Å; Y33-S36 VanDerWaalsContact O-N 3.16Å; Y33-S36 PolarHBondContact O-OG 2.97Å; Y33-I37 HydrophobicContact CD1-CD1 4.17Å; Y33-I37 HydrophobicContact CD2-CD1 3.9Å; Y33-I37 HydrophobicContact CD2-CG1 4.45Å; Y33-I37 HydrophobicContact CE1-CD1 3.62Å; Y33-I37 HydrophobicContact CE2-CD1 3.28Å; Y33-I37 HydrophobicContact CE2-CG1 4.11Å; Y33-I37 HydrophobicContact CG-CD1 4.31Å; Y33-I37 PolarHBondContact O-N 3.01Å; Y33-I37 WeakPolarHBondContact OH-CD1 3.38Å
34V93.8Very high85.4Confident0 Ų066.8 Ų66.80%035%0.349CS..Hα-helixtrans-60.7-44.5177.2-176.20000111P16 Y30 S36 I37 V38 M99 F116 L120P16-V34 HydrophobicContact CB-CG2 4.02Å; Y30-V34 HydrophobicContact CD1-CG2 3.99Å; Y30-V34 HydrophobicContact CD2-CG2 4.26Å; Y30-V34 HydrophobicContact CE1-CG2 3.52Å; Y30-V34 HydrophobicContact CE2-CG2 3.81Å; Y30-V34 HydrophobicContact CG-CG2 4.34Å; Y30-V34 VanDerWaalsContact CZ-CG2 3.42Å; Y30-V34 WeakPolarHBondContact O-CG2 3.13Å; Y30-V34 PolarHBondContact O-N 3.46Å; V34-S36 VanDerWaalsContact C-N 3.32Å; V34-S36 PolarHBondContact O-N 3.37Å; V34-I37 PolarHBondContact O-N 3.03Å; V34-V38 HydrophobicContact CG1-CG2 4.37Å; V34-V38 WeakPolarHBondContact O-CG2 3.14Å; V34-V38 PolarHBondContact O-N 3.15Å; V34-M99 HydrophobicContact CG1-CE 3.47Å; V34-M99 VanDerWaalsContact CG1-CE 3.47Å; V34-F116 HydrophobicContact CB-CD1 4.33Å; V34-L120 HydrophobicContact CG1-CB 4.25Å; V34-L120 HydrophobicContact CG1-CD1 4.18Å; V34-L120 HydrophobicContact CG1-CD2 4.08Å; V34-L120 HydrophobicContact CG1-CG 4.41Å
35K95.1Very high86.7Confident41 Ų4162 Ų6218%0.17832%0.318CS..Hα-helixtrans-54.6-48.3174.5176.7-164.6170.2-175.90111.5P31 H32 Y33 I37 V38 A39 E100 L103P31-K35 WeakPolarHBondContact O-CB 3.45Å; P31-K35 PolarHBondContact O-N 2.83Å; H32-K35 PolarHBondContact O-N 3.35Å; Y33-K35 VanDerWaalsContact C-N 3.35Å; Y33-K35 PolarHBondContact O-N 2.83Å; K35-I37 VanDerWaalsContact C-N 3.31Å; K35-I37 PolarHBondContact O-N 2.89Å; K35-V38 PolarHBondContact O-N 3.2Å; K35-A39 WeakPolarHBondContact O-CB 3.38Å; K35-A39 PolarHBondContact O-N 3.29Å; K35-E100 HydrophobicContact CD-CB 4.18Å; K35-E100 HydrophobicContact CD-CG 4.33Å; K35-E100 VanDerWaalsContact CE-CD 3.43Å; K35-E100 VanDerWaalsContact CE-OE2 3.28Å; K35-E100 WeakPolarHBondContact CE-OE2 3.02Å; K35-E100 IonicContact NZ-OE1 2.62Å; K35-E100 PolarHBondContact NZ-OE1 3.47Å; K35-E100 IonicContact NZ-OE2 3.1Å; K35-E100 PolarHBondContact NZ-OE2 3.23Å; K35-L103 HydrophobicContact CD-CD1 3.97Å
36S94.7Very high88.3Confident64 Ų6458 Ų5845%0.44830%0.296SS..Hα-helixtrans-64-37.8-17869.60000112.3H32 Y33 V34 A39 S40H32-S36 WeakPolarHBondContact O-CB 3.49Å; H32-S36 PolarHBondContact O-N 3.01Å; H32-S36 PolarHBondContact O-OG 2.97Å; Y33-S36 PolarHBondContact O-N 3.32Å; Y33-S36 VanDerWaalsContact O-N 3.16Å; Y33-S36 PolarHBondContact O-OG 2.97Å; V34-S36 VanDerWaalsContact C-N 3.32Å; V34-S36 PolarHBondContact O-N 3.37Å; S36-A39 PolarHBondContact O-N 3.01Å; S36-S40 PolarHBondContact O-N 2.88Å; S36-S40 PolarHBondContact O-OG 3.19Å
37I95Very high89.9Confident18 Ų1854.8 Ų54.89%0.09228%0.283CS..Hα-helixtrans-66.2-49.9176.6-77.9172.7000110.5S12 L13 P16 Y33 V34 K35 A39 S40 T41S12-I37 VanDerWaalsContact O-CG2 3.25Å; S12-I37 WeakPolarHBondContact O-CG2 3.5Å; L13-I37 HydrophobicContact CD2-CG2 4.35Å; P16-I37 HydrophobicContact CG-CB 4.42Å; P16-I37 HydrophobicContact CG-CD1 3.5Å; P16-I37 VanDerWaalsContact CG-CD1 3.5Å; P16-I37 HydrophobicContact CG-CG2 4.18Å; Y33-I37 HydrophobicContact CD1-CD1 4.17Å; Y33-I37 HydrophobicContact CD2-CD1 3.9Å; Y33-I37 HydrophobicContact CD2-CG1 4.45Å; Y33-I37 HydrophobicContact CE1-CD1 3.62Å; Y33-I37 HydrophobicContact CE2-CD1 3.28Å; Y33-I37 HydrophobicContact CE2-CG1 4.11Å; Y33-I37 HydrophobicContact CG-CD1 4.31Å; Y33-I37 PolarHBondContact O-N 3.01Å; Y33-I37 WeakPolarHBondContact OH-CD1 3.38Å; V34-I37 PolarHBondContact O-N 3.03Å; K35-I37 VanDerWaalsContact C-N 3.31Å; K35-I37 PolarHBondContact O-N 2.89Å; I37-A39 PolarHBondContact O-N 3.49Å; I37-S40 WeakPolarHBondContact CA-OG 3.24Å; I37-S40 CarbonylContact O-C 3.53Å; I37-S40 PolarHBondContact O-N 3.31Å; I37-S40 PolarHBondContact O-OG 3.49Å; I37-T41 HydrophobicContact CG2-CG2 4.01Å; I37-T41 WeakPolarHBondContact O-CG2 3.36Å; I37-T41 PolarHBondContact O-N 3.17Å
38V95.7Very high91.5Very high0 Ų047.5 Ų47.50%025%0.251CS..Hα-helixtrans-59.3-36.8177.6178.60000111.6L13 V34 K35 T41 F42 L92 W96 L120 L123L13-V38 HydrophobicContact CD2-CG2 4.14Å; V34-V38 HydrophobicContact CG1-CG2 4.37Å; V34-V38 WeakPolarHBondContact O-CG2 3.14Å; V34-V38 PolarHBondContact O-N 3.15Å; K35-V38 PolarHBondContact O-N 3.2Å; V38-T41 WeakPolarHBondContact CA-OG1 3.49Å; V38-T41 PolarHBondContact O-N 3.48Å; V38-T41 PolarHBondContact O-OG1 3.21Å; V38-F42 WeakPolarHBondContact O-CB 3.34Å; V38-F42 PolarHBondContact O-N 3.39Å; V38-L92 HydrophobicContact CG1-CD2 4.35Å; V38-W96 HydrophobicContact CG1-CB 4.08Å; V38-L120 HydrophobicContact CG2-CD1 4.29Å; V38-L123 HydrophobicContact CG1-CD2 4.39Å; V38-L123 HydrophobicContact CG2-CD2 4.19Å
39A95.9Very high93Very high20 Ų2040.8 Ų40.817%0.16522%0.216CC..Hα-helixtrans-65.4-42.3174.100000112.2K35 S36 I37 F42 I43 W96K35-A39 WeakPolarHBondContact O-CB 3.38Å; K35-A39 PolarHBondContact O-N 3.29Å; S36-A39 PolarHBondContact O-N 3.01Å; I37-A39 PolarHBondContact O-N 3.49Å; A39-F42 WeakPolarHBondContact O-CB 3.36Å; A39-F42 PolarHBondContact O-N 3.39Å; A39-I43 WeakPolarHBondContact O-CG1 3.29Å; A39-I43 PolarHBondContact O-N 3.25Å; A39-W96 HydrophobicContact CB-CD2 4.33Å; A39-W96 HydrophobicContact CB-CG 4.26Å
40S95.1Very high93.5Very high50 Ų5040.8 Ų40.835%0.3521%0.213SC..Hα-helixtrans-67.1-38.617671.90000112.5S36 I37 F42 I43 I44S36-S40 PolarHBondContact O-N 2.88Å; S36-S40 PolarHBondContact O-OG 3.19Å; I37-S40 WeakPolarHBondContact CA-OG 3.24Å; I37-S40 CarbonylContact O-C 3.53Å; I37-S40 PolarHBondContact O-N 3.31Å; I37-S40 PolarHBondContact O-OG 3.49Å; S40-F42 VanDerWaalsContact C-N 3.33Å; S40-F42 PolarHBondContact O-N 3.2Å; S40-I43 PolarHBondContact O-N 3.23Å; S40-I44 VanDerWaalsContact O-CG1 3.29Å; S40-I44 WeakPolarHBondContact O-CG1 3.47Å; S40-I44 PolarHBondContact O-N 3.4Å
41T95.6Very high93.6Very high0 Ų042.8 Ų42.80%022%0.224CC..Hα-helixtrans-67.3-36.517867.20000111.2S12 L13 I37 V38 I44 S45S12-T41 WeakPolarHBondContact OG-CG2 3.37Å; L13-T41 HydrophobicContact CD2-CG2 3.61Å; L13-T41 HydrophobicContact CG-CG2 3.98Å; I37-T41 HydrophobicContact CG2-CG2 4.01Å; I37-T41 WeakPolarHBondContact O-CG2 3.36Å; I37-T41 PolarHBondContact O-N 3.17Å; V38-T41 WeakPolarHBondContact CA-OG1 3.49Å; V38-T41 PolarHBondContact O-N 3.48Å; V38-T41 PolarHBondContact O-OG1 3.21Å; T41-I44 PolarHBondContact O-N 3.5Å; T41-S45 WeakPolarHBondContact O-CB 3.17Å; T41-S45 PolarHBondContact O-N 2.7Å
42F95.9Very high93.6Very high32 Ų3242.9 Ų42.914%0.1422%0.224CC..Hα-helixtrans-57-50.2170.8168.9-107.5000111.2V38 A39 S40 I44 S45 L46 P89 L92 F93V38-F42 WeakPolarHBondContact O-CB 3.34Å; V38-F42 PolarHBondContact O-N 3.39Å; A39-F42 WeakPolarHBondContact O-CB 3.36Å; A39-F42 PolarHBondContact O-N 3.39Å; S40-F42 VanDerWaalsContact C-N 3.33Å; S40-F42 PolarHBondContact O-N 3.2Å; F42-I44 VanDerWaalsContact C-N 3.32Å; F42-I44 PolarHBondContact O-N 3.27Å; F42-S45 PolarHBondContact O-N 3.5Å; F42-S45 VanDerWaalsContact O-N 3.08Å; F42-S45 PolarHBondContact O-OG 3.48Å; F42-L46 HydrophobicContact CE1-CD1 3.9Å; F42-L46 HydrophobicContact CE1-CG 4.49Å; F42-L46 HydrophobicContact CE2-CD2 4.05Å; F42-L46 HydrophobicContact CE2-CG 4.32Å; F42-L46 HydrophobicContact CZ-CD1 3.87Å; F42-L46 HydrophobicContact CZ-CD2 4.02Å; F42-L46 HydrophobicContact CZ-CG 4.15Å; F42-L46 PolarHBondContact O-N 3.01Å; F42-P89 HydrophobicContact CD2-CB 4.32Å; F42-P89 WeakPolarHBondContact CD2-O 3.31Å; F42-P89 HydrophobicContact CE2-CB 4.06Å; F42-L92 HydrophobicContact CB-CB 4Å; F42-L92 HydrophobicContact CD2-CB 4.22Å; F42-F93 HydrophobicContact CD2-CB 3.98Å; F42-F93 HydrophobicContact CE1-CD2 4.05Å; F42-F93 HydrophobicContact CE2-CB 3.75Å; F42-F93 AromaticContact CE2-CD2 3.94Å; F42-F93 HydrophobicContact CE2-CD2 3.94Å; F42-F93 HydrophobicContact CE2-CG 4.3Å; F42-F93 HydrophobicContact CZ-CB 4.36Å; F42-F93 AromaticContact CZ-CD2 3.66Å; F42-F93 HydrophobicContact CZ-CD2 3.66Å; F42-F93 HydrophobicContact CZ-CE2 4.46Å; F42-F93 HydrophobicContact CZ-CG 4.45Å
43I95Very high93.4Very high115 Ų11540.1 Ų40.159%0.5921%0.212SC*.Hα-helixtrans-60.1-43.8178.9-64.6167000110.9A39 S40 S45 L46A39-I43 WeakPolarHBondContact O-CG1 3.29Å; A39-I43 PolarHBondContact O-N 3.25Å; S40-I43 PolarHBondContact O-N 3.23Å; I43-S45 VanDerWaalsContact C-N 3.28Å; I43-S45 PolarHBondContact O-N 3.23Å; I43-L46 WeakPolarHBondContact O-CB 3.38Å; I43-L46 PolarHBondContact O-N 2.74Å
44I94.3Very high93.3Very high40 Ų4041 Ų4121%0.20523%0.23CC..Hα-helixtrans-61.8-38.5176.9-63.2162.9000110.7L8 T9 S40 T41 F42 L46 F47 P48L8-I44 HydrophobicContact CB-CG2 4.41Å; L8-I44 HydrophobicContact CD2-CD1 3.89Å; L8-I44 HydrophobicContact CD2-CG1 4.34Å; L8-I44 HydrophobicContact CD2-CG2 3.78Å; L8-I44 HydrophobicContact CG-CD1 4.48Å; L8-I44 HydrophobicContact CG-CG2 4.41Å; T9-I44 HydrophobicContact CG2-CB 4.12Å; T9-I44 HydrophobicContact CG2-CG2 3.53Å; S40-I44 VanDerWaalsContact O-CG1 3.29Å; S40-I44 WeakPolarHBondContact O-CG1 3.47Å; S40-I44 PolarHBondContact O-N 3.4Å; T41-I44 PolarHBondContact O-N 3.5Å; F42-I44 VanDerWaalsContact C-N 3.32Å; F42-I44 PolarHBondContact O-N 3.27Å; I44-L46 VanDerWaalsContact C-N 3.27Å; I44-L46 PolarHBondContact O-N 3.4Å; I44-F47 PolarHBondContact O-N 3Å; I44-P48 WeakPolarHBondContact O-CD 3.44Å
45S94.9Very high93.1Very high2 Ų246.1 Ų46.11%0.01426%0.256CS..Hα-helixtrans-69.2-19.8-179.976.20000114.6T41 F42 I43 F47 P48 T49T41-S45 WeakPolarHBondContact O-CB 3.17Å; T41-S45 PolarHBondContact O-N 2.7Å; F42-S45 PolarHBondContact O-N 3.5Å; F42-S45 VanDerWaalsContact O-N 3.08Å; F42-S45 PolarHBondContact O-OG 3.48Å; I43-S45 VanDerWaalsContact C-N 3.28Å; I43-S45 PolarHBondContact O-N 3.23Å; S45-F47 VanDerWaalsContact C-N 3.29Å; S45-F47 PolarHBondContact O-N 3.26Å; S45-P48 VanDerWaalsContact O-CD 3.29Å; S45-P48 WeakPolarHBondContact O-CD 3.45Å; S45-P48 WeakPolarHBondContact O-CG 3.31Å; S45-T49 WeakPolarHBondContact O-CG2 3.44Å; S45-T49 PolarHBondContact O-N 3.15Å; S45-T49 PolarHBondContact O-OG1 2.98Å; S45-T49 VanDerWaalsContact O-OG1 3.05Å
46L93.1Very high92.8Very high70 Ų7048.3 Ų48.337%0.36627%0.27SS..Hα-helixtrans-68.1-30.6173.3-67175.4000111.9F42 I43 I44 T49 T50 P89F42-L46 HydrophobicContact CE1-CD1 3.9Å; F42-L46 HydrophobicContact CE1-CG 4.49Å; F42-L46 HydrophobicContact CE2-CD2 4.05Å; F42-L46 HydrophobicContact CE2-CG 4.32Å; F42-L46 HydrophobicContact CZ-CD1 3.87Å; F42-L46 HydrophobicContact CZ-CD2 4.02Å; F42-L46 HydrophobicContact CZ-CG 4.15Å; F42-L46 PolarHBondContact O-N 3.01Å; I43-L46 WeakPolarHBondContact O-CB 3.38Å; I43-L46 PolarHBondContact O-N 2.74Å; I44-L46 VanDerWaalsContact C-N 3.27Å; I44-L46 PolarHBondContact O-N 3.4Å; L46-T49 VanDerWaalsContact CA-OG1 3.25Å; L46-T49 WeakPolarHBondContact CA-OG1 3.45Å; L46-T49 PolarHBondContact O-N 2.94Å; L46-T49 PolarHBondContact O-OG1 3.48Å; L46-T50 VanDerWaalsContact O-CG2 3.27Å; L46-T50 WeakPolarHBondContact O-CG2 3.25Å; L46-T50 PolarHBondContact O-N 3.24Å; L46-T50 PolarHBondContact O-OG1 3.08Å; L46-T50 VanDerWaalsContact O-OG1 3.09Å; L46-P89 HydrophobicContact CD2-CB 4.24Å
47F92.4Very high92.5Very high90 Ų9050.9 Ų50.940%0.39528%0.275SS..Hα-helixtrans-64.1-53.5180-157.1-88.8000113.4M5 I44 S45 T49 T50 M51M5-F47 HydrophobicContact CG-CD1 4Å; I44-F47 PolarHBondContact O-N 3Å; S45-F47 VanDerWaalsContact C-N 3.29Å; S45-F47 PolarHBondContact O-N 3.26Å; F47-T49 VanDerWaalsContact C-N 3.3Å; F47-T49 PolarHBondContact O-N 3.39Å; F47-T50 PolarHBondContact O-N 3.34Å; F47-T50 PolarHBondContact O-OG1 3.01Å; F47-M51 HydrophobicContact CD1-CG 4.2Å; F47-M51 HydrophobicContact CE1-CG 4.07Å; F47-M51 WeakPolarHBondContact O-CG 3.44Å; F47-M51 PolarHBondContact O-N 3.32Å; F47-M51 VanDerWaalsContact O-N 3.08Å
48P91.2Very high92.3Very high4 Ų455.2 Ų55.23%0.02630%0.295CS..Hα-helixtrans-65.8-32.2177.226.7-34.1000112.8T6 I44 S45 M51 F52 M85T6-P48 HydrophobicContact CG2-CB 3.4Å; T6-P48 VanDerWaalsContact CG2-CB 3.4Å; T6-P48 HydrophobicContact CG2-CG 3.89Å; I44-P48 WeakPolarHBondContact O-CD 3.44Å; S45-P48 VanDerWaalsContact O-CD 3.29Å; S45-P48 WeakPolarHBondContact O-CD 3.45Å; S45-P48 WeakPolarHBondContact O-CG 3.31Å; P48-M51 PolarHBondContact O-N 3.44Å; P48-F52 WeakPolarHBondContact O-CB 3.13Å; P48-F52 PolarHBondContact O-N 3.26Å; P48-M85 HydrophobicContact CB-CE 4.12Å; P48-M85 HydrophobicContact CB-SD 4Å
49T91.4Very high92Very high14 Ų1456.5 Ų56.59%0.08630%0.302CS..Hα-helixtrans-66.7-44.1174.649.60000113.2S45 L46 F47 M51 F52 M53 M85 P89S45-T49 WeakPolarHBondContact O-CG2 3.44Å; S45-T49 PolarHBondContact O-N 3.15Å; S45-T49 PolarHBondContact O-OG1 2.98Å; S45-T49 VanDerWaalsContact O-OG1 3.05Å; L46-T49 VanDerWaalsContact CA-OG1 3.25Å; L46-T49 WeakPolarHBondContact CA-OG1 3.45Å; L46-T49 PolarHBondContact O-N 2.94Å; L46-T49 PolarHBondContact O-OG1 3.48Å; F47-T49 VanDerWaalsContact C-N 3.3Å; F47-T49 PolarHBondContact O-N 3.39Å; T49-M51 VanDerWaalsContact C-N 3.31Å; T49-M51 PolarHBondContact O-N 3.43Å; T49-F52 WeakPolarHBondContact O-CB 3.25Å; T49-F52 PolarHBondContact O-N 3.06Å; T49-M53 WeakPolarHBondContact O-CG 3.45Å; T49-M53 PolarHBondContact O-N 3.26Å; T49-M85 HydrophobicContact CG2-CB 4.21Å; T49-M85 WeakPolarHBondContact CG2-O 3.47Å; T49-M85 HydrophobicContact CG2-SD 4.32Å; T49-P89 HydrophobicContact CG2-CG 3.39Å
50T90.9Very high91.8Very high74 Ų7459.8 Ų59.845%0.45432%0.316SS..Hα-helixtrans-61.2-40.7174.555.30000111.9L46 F47 M53 C54L46-T50 VanDerWaalsContact O-CG2 3.27Å; L46-T50 WeakPolarHBondContact O-CG2 3.25Å; L46-T50 PolarHBondContact O-N 3.24Å; L46-T50 PolarHBondContact O-OG1 3.08Å; L46-T50 VanDerWaalsContact O-OG1 3.09Å; F47-T50 PolarHBondContact O-N 3.34Å; F47-T50 PolarHBondContact O-OG1 3.01Å; T50-M53 PolarHBondContact O-N 2.98Å; T50-C54 PolarHBondContact O-N 2.7Å; T50-C54 VanDerWaalsContact O-N 3.09Å; T50-C54 PolarHBondContact O-SG 3.39Å; T50-C54 VanDerWaalsContact O-SG 3.34Å
51M90.3Very high91.6Very high64 Ų6458.1 Ų58.132%0.31530%0.303SS..Hα-helixtrans-63.4-41.9175.1-71.2-69.6-72.800112.3F47 P48 T49 C54 L55F47-M51 HydrophobicContact CD1-CG 4.2Å; F47-M51 HydrophobicContact CE1-CG 4.07Å; F47-M51 WeakPolarHBondContact O-CG 3.44Å; F47-M51 PolarHBondContact O-N 3.32Å; F47-M51 VanDerWaalsContact O-N 3.08Å; P48-M51 PolarHBondContact O-N 3.44Å; T49-M51 VanDerWaalsContact C-N 3.31Å; T49-M51 PolarHBondContact O-N 3.43Å; M51-C54 PolarHBondContact O-N 3.48Å; M51-L55 HydrophobicContact CE-CD1 4.01Å; M51-L55 PolarHBondContact O-N 3.16Å; M51-L55 VanDerWaalsContact O-N 3.11Å
52F90.7Very high91.3Very high7 Ų762.1 Ų62.13%0.03133%0.331CS..Hα-helixtrans-59.7-47.3174.1175-91.5000110.8P48 T49 C54 L55 D56 E58 Y82 M85P48-F52 WeakPolarHBondContact O-CB 3.13Å; P48-F52 PolarHBondContact O-N 3.26Å; T49-F52 WeakPolarHBondContact O-CB 3.25Å; T49-F52 PolarHBondContact O-N 3.06Å; F52-C54 VanDerWaalsContact C-N 3.25Å; F52-C54 PolarHBondContact O-N 3.44Å; F52-L55 PolarHBondContact O-N 2.92Å; F52-D56 VanDerWaalsContact O-CA 3.29Å; F52-D56 WeakPolarHBondContact O-CA 3.46Å; F52-D56 PolarHBondContact O-N 3.46Å; F52-E58 HydrophobicContact CE2-CG 4.24Å; F52-Y82 AromaticContact CE1-CD2 3.84Å; F52-Y82 HydrophobicContact CE1-CD2 3.84Å; F52-Y82 HydrophobicContact CZ-CD2 4.17Å; F52-M85 HydrophobicContact CB-CB 4.39Å; F52-M85 HydrophobicContact CB-CG 4.08Å; F52-M85 HydrophobicContact CD1-CB 4.24Å; F52-M85 HydrophobicContact CD2-CG 4.12Å; F52-M85 HydrophobicContact CG-CB 4.11Å; F52-M85 HydrophobicContact CG-CG 3.98Å
53M89.4Confident90.8Very high51 Ų5165.6 Ų65.625%0.25135%0.351SS..Hα-helixtrans-63.6-28-180-62.9-78.2-128.500113.5T49 T50 M86 N469T49-M53 WeakPolarHBondContact O-CG 3.45Å; T49-M53 PolarHBondContact O-N 3.26Å; T50-M53 PolarHBondContact O-N 2.98Å; M53-M86 HydrophobicContact CE-CE 3.12Å; M53-M86 HydrophobicContact CE-SD 3.63Å; M53-M86 HydrophobicContact SD-CE 3.6Å; M53-M86 HydrophobicContact SD-SD 4.22Å; M53-N469 HydrophobicContact CE-CB 3.36Å; M53-N469 HydrophobicContact SD-CB 4.07Å; M53-N469 VanDerWaalsContact SD-O 3.34Å
54C89.6Confident90.6Very high106 Ų10667.4 Ų67.472%0.71635%0.351SS*.Hα-helixtrans-85-30.5178.6-68.10000113.8T50 M51 F52T50-C54 PolarHBondContact O-N 2.7Å; T50-C54 VanDerWaalsContact O-N 3.09Å; T50-C54 PolarHBondContact O-SG 3.39Å; T50-C54 VanDerWaalsContact O-SG 3.34Å; M51-C54 PolarHBondContact O-N 3.48Å; F52-C54 VanDerWaalsContact C-N 3.25Å; F52-C54 PolarHBondContact O-N 3.44Å
55L89.5Confident90.5Very high107 Ų10769.9 Ų69.956%0.5636%0.361SS*.Hα-helixtrans-116.7-11.5-169.4-63.9172.9000113.9M51 F52 Q57M51-L55 HydrophobicContact CE-CD1 4.01Å; M51-L55 PolarHBondContact O-N 3.16Å; M51-L55 VanDerWaalsContact O-N 3.11Å; F52-L55 PolarHBondContact O-N 2.92Å; L55-Q57 HydrophobicContact CB-CB 4.34Å; L55-Q57 PolarHBondContact O-N 3.41Å
56D88.9Confident90.4Very high87 Ų8776.1 Ų76.147%0.46539%0.385SS..  trans47.731.7-173-74.2-40.5000113.4F52 S471F52-D56 VanDerWaalsContact O-CA 3.29Å; F52-D56 WeakPolarHBondContact O-CA 3.46Å; F52-D56 PolarHBondContact O-N 3.46Å; D56-S471 PolarHBondContact OD1-OG 3.49Å; D56-S471 VanDerWaalsContact OD1-OG 3.09Å
57Q88.1Confident90.4Very high118 Ų11874.6 Ų74.655%0.55138%0.382SS*.  trans-91.5112.8-175.8-170.8178.56.300111.7L55 V59L55-Q57 HydrophobicContact CB-CB 4.34Å; L55-Q57 PolarHBondContact O-N 3.41Å; Q57-V59 HydrophobicContact CG-CG2 4.32Å
58E90.3Very high90.5Very high109 Ų10974.5 Ų74.551%0.50939%0.389SS..  trans-80.1142.3168.4-57.3-166.1162.900111.5F52 L80 D81F52-E58 HydrophobicContact CE2-CG 4.24Å; E58-L80 WeakPolarHBondContact CA-O 3.32Å; E58-D81 HydrophobicContact CG-CB 4.27Å
59V89.8Confident90.5Very high26 Ų2677.9 Ų77.916%0.15841%0.41CS..EExtended strand (participates in β ladder)trans-132.4139.1179.8-176.30000110.9T3 Q57 I61 L80T3-V59 HydrophobicContact CG2-CG1 3.77Å; Q57-V59 HydrophobicContact CG-CG2 4.32Å; V59-I61 HydrophobicContact CG1-CG1 3.99Å; V59-L80 HydrophobicContact CB-CB 4.48Å; V59-L80 PolarHBondContact N-O 3.41Å; V59-L80 VanDerWaalsContact N-O 3.08Å; V59-L80 WeakPolarHBondContact O-CA 3.38Å; V59-L80 VanDerWaalsContact O-CB 3.27Å; V59-L80 WeakPolarHBondContact O-CB 3.09Å; V59-L80 PolarHBondContact O-N 3.39Å
60I91.9Very high90.5Very high90 Ų9086.6 Ų86.646%0.46245%0.449SS..EExtended strand (participates in β ladder)trans-110.9126.9169.5-59.1166.8000107.8F78 Q197I60-F78 WeakPolarHBondContact CA-O 3.35Å; I60-Q197 HydrophobicContact CD1-CG 4.43Å; I60-Q197 VanDerWaalsContact CD1-NE2 3.28Å
61I91.4Very high90.5Very high14 Ų1487.7 Ų87.77%0.07246%0.456CS..EExtended strand (participates in β ladder)trans-113.5104.1-179.3-57.2-179.7000108.7T3 T6 T7 V59 N63 S77 F78 L80T3-I61 HydrophobicContact CG2-CD1 3.89Å; T3-I61 HydrophobicContact CG2-CG1 4.09Å; T6-I61 WeakPolarHBondContact OG1-CD1 3.49Å; T7-I61 HydrophobicContact CG2-CD1 4.24Å; V59-I61 HydrophobicContact CG1-CG1 3.99Å; I61-N63 VanDerWaalsContact CG2-CG 3.41Å; I61-N63 WeakPolarHBondContact CG2-OD1 3.29Å; I61-S77 CarbonylContact O-C 3.6Å; I61-S77 VanDerWaalsContact O-CA 3.31Å; I61-S77 WeakPolarHBondContact O-CA 3.46Å; I61-F78 HydrophobicContact CB-CB 4.42Å; I61-F78 PolarHBondContact N-O 3.43Å; I61-F78 PolarHBondContact O-N 3.41Å; I61-L80 HydrophobicContact CD1-CD1 3.47Å; I61-L80 VanDerWaalsContact CD1-CD1 3.47Å; I61-L80 HydrophobicContact CG1-CD1 4.09Å
62S88.9Confident90.4Very high85 Ų8585.5 Ų85.559%0.59445%0.447SS*.EExtended strand (participates in β ladder)trans-98.290.6171.957.10000109.9
63N85.3Confident90.4Very high104 Ų10491.9 Ų91.956%0.55648%0.476SS*.EExtended strand (participates in β ladder)trans-86.2-42.3-171.9-80.1-15.6000113.5I61 L76I61-N63 VanDerWaalsContact CG2-CG 3.41Å; I61-N63 WeakPolarHBondContact CG2-OD1 3.29Å; N63-L76 PolarHBondContact N-O 3.03Å
64W89.8Confident90.5Very high154 Ų15490.4 Ų90.458%0.58347%0.469SS*.EExtended strand (participates in β ladder)trans-129.8116.8-170.5-173.439.9000110.8W66 S75 L76W64-W66 AromaticContact CH2-CD1 3.78Å; W64-W66 AromaticContact CZ3-CD1 3.93Å; W64-W66 PolarHBondContact O-N 2.99Å; W64-S75 CarbonylContact O-C 3.42Å; W64-S75 VanDerWaalsContact O-CA 3.31Å; W64-S75 WeakPolarHBondContact O-CA 3.34Å; W64-L76 HydrophobicContact CB-CB 4.26Å; W64-L76 HydrophobicContact CE3-CD1 4.31Å; W64-L76 PolarHBondContact O-N 2.97Å
65H92.8Very high90.6Very high91 Ų9186.8 Ų86.842%0.42145%0.446SS..EExtended strand (participates in β ladder)trans-73.7115.5169179.8-73.7000108.9A67 T68H65-A67 VanDerWaalsContact CE1-C 3.44Å; H65-T68 WeakPolarHBondContact CE1-CG2 3.29Å; H65-T68 WeakPolarHBondContact NE2-CG2 3.49Å
66W92.1Very high90.8Very high134 Ų13484.6 Ų84.651%0.50843%0.434SS..EExtended strand (participates in β ladder)trans-86-57.4-175.4-173.643.4000111.8W64 L74 F136W64-W66 AromaticContact CH2-CD1 3.78Å; W64-W66 AromaticContact CZ3-CD1 3.93Å; W64-W66 PolarHBondContact O-N 2.99Å; W66-L74 WeakPolarHBondContact CA-O 3.48Å; W66-L74 WeakPolarHBondContact CB-O 3.3Å; W66-L74 HydrophobicContact CE3-CB 4Å; W66-L74 HydrophobicContact CE3-CD1 3.98Å; W66-L74 HydrophobicContact CZ3-CD1 3.96Å; W66-L74 PolarHBondContact N-O 3.46Å; W66-F136 HydrophobicContact CE3-CE1 4.02Å; W66-F136 AromaticContact CH2-CE1 3.61Å; W66-F136 HydrophobicContact CH2-CE1 3.61Å; W66-F136 AromaticContact CH2-CZ 3.74Å; W66-F136 HydrophobicContact CH2-CZ 3.74Å; W66-F136 AromaticContact CZ3-CD1 3.96Å; W66-F136 HydrophobicContact CZ3-CD1 3.96Å; W66-F136 AromaticContact CZ3-CE1 3.18Å; W66-F136 HydrophobicContact CZ3-CE1 3.18Å; W66-F136 AromaticContact CZ3-CZ 3.66Å; W66-F136 HydrophobicContact CZ3-CZ 3.66Å
67A93.8Very high91Very high38 Ų3880.5 Ų80.531%0.31441%0.412SS..EExtended strand (participates in β ladder)trans-158.7149.4179.900000111.9H65 L74H65-A67 VanDerWaalsContact CE1-C 3.44Å; A67-L74 PolarHBondContact N-O 2.82Å; A67-L74 VanDerWaalsContact N-O 3.12Å; A67-L74 WeakPolarHBondContact O-CA 3.29Å; A67-L74 WeakPolarHBondContact O-CB 3.19Å; A67-L74 PolarHBondContact O-N 3.43Å
68T93.8Very high91.2Very high87 Ų8776.2 Ų76.253%0.53439%0.392SS..EExtended strand (participates in β ladder)trans-106.4116168.547.80000110H65 Q73H65-T68 WeakPolarHBondContact CE1-CG2 3.29Å; H65-T68 WeakPolarHBondContact NE2-CG2 3.49Å; T68-Q73 HydrophobicContact CG2-CG 3.97Å
69T91.9Very high91.3Very high75 Ų7573 Ų7346%0.4638%0.376SS..EExtended strand (participates in β ladder)trans-105.798.7172.935.60000109.7T71 T72T69-T71 PolarHBondContact O-N 3.45Å; T69-T72 PolarHBondContact N-O 3.5Å; T69-T72 PolarHBondContact O-N 3.31Å; T69-T72 PolarHBondContact O-OG1 3.36Å; T69-T72 PolarHBondContact OG1-OG1 3Å
70Q91.8Very high91.5Very high197 Ų19771.9 Ų71.992%0.92137%0.369SS*.THydrogen-bonded Turntrans54.4-100.4-174-60.5175.7-11.600111.8
71T89.8Confident91.5Very high98 Ų9867.7 Ų67.760%0.60135%0.348SS*.THydrogen-bonded Turntrans-99.5-9.4-178.351.20000113.2T69 N192T69-T71 PolarHBondContact O-N 3.45Å; T71-N192 WeakPolarHBondContact CB-ND2 3.45Å; T71-N192 PolarHBondContact OG1-ND2 3.02Å; T71-N192 PolarHBondContact OG1-OD1 3.38Å
72T88.6Confident91.5Very high18 Ų1867.9 Ų67.911%0.1135%0.348CS..EExtended strand (participates in β ladder)trans-98.6121.5-17655.60000110.1T69 I188 N192T69-T72 PolarHBondContact N-O 3.5Å; T69-T72 PolarHBondContact O-N 3.31Å; T69-T72 PolarHBondContact O-OG1 3.36Å; T69-T72 PolarHBondContact OG1-OG1 3Å; T72-I188 HydrophobicContact CG2-CD1 3.6Å; T72-N192 WeakPolarHBondContact CG2-O 3.01Å; T72-N192 WeakPolarHBondContact CG2-OD1 3.47Å
73Q90.1Very high91.8Very high140 Ų14064.9 Ų64.965%0.65432%0.324SS*.EExtended strand (participates in β ladder)trans-98.4113.2177.5-61.9-173.2-11.300109.6T68T68-Q73 HydrophobicContact CG2-CG 3.97Å
74L92Very high92.2Very high20 Ų2059.9 Ų59.911%0.10530%0.297CS..EExtended strand (participates in β ladder)trans-91.1113.4174.4-56.9-178.8000108.8W66 A67 W194W66-L74 WeakPolarHBondContact CA-O 3.48Å; W66-L74 WeakPolarHBondContact CB-O 3.3Å; W66-L74 HydrophobicContact CE3-CB 4Å; W66-L74 HydrophobicContact CE3-CD1 3.98Å; W66-L74 HydrophobicContact CZ3-CD1 3.96Å; W66-L74 PolarHBondContact N-O 3.46Å; A67-L74 PolarHBondContact N-O 2.82Å; A67-L74 VanDerWaalsContact N-O 3.12Å; A67-L74 WeakPolarHBondContact O-CA 3.29Å; A67-L74 WeakPolarHBondContact O-CB 3.19Å; A67-L74 PolarHBondContact O-N 3.43Å; L74-W194 HydrophobicContact CD1-CZ3 4.02Å; L74-W194 HydrophobicContact CD2-CE3 3.34Å; L74-W194 HydrophobicContact CD2-CH2 4.47Å; L74-W194 HydrophobicContact CD2-CZ3 3.31Å; L74-W194 HydrophobicContact CG-CZ3 4.31Å
75S92.8Very high92.3Very high31 Ų3152.7 Ų52.722%0.21727%0.27CS..EExtended strand (participates in β ladder)trans-120.7156.8172.462.10000110.9W64 S77 N134W64-S75 CarbonylContact O-C 3.42Å; W64-S75 VanDerWaalsContact O-CA 3.31Å; W64-S75 WeakPolarHBondContact O-CA 3.34Å; S75-S77 PolarHBondContact O-N 2.96Å; S75-N134 PolarHBondContact O-ND2 3.04Å
76L92.3Very high92.3Very high60 Ų6049.1 Ų49.131%0.31425%0.254SS..EExtended strand (participates in β ladder)trans-84.9103.9167.9-165.7154.3000107.5N63 W64 F78N63-L76 PolarHBondContact N-O 3.03Å; W64-L76 HydrophobicContact CB-CB 4.26Å; W64-L76 HydrophobicContact CE3-CD1 4.31Å; W64-L76 PolarHBondContact O-N 2.97Å; L76-F78 HydrophobicContact CD2-CD2 3.98Å; L76-F78 HydrophobicContact CD2-CE1 4.16Å; L76-F78 HydrophobicContact CD2-CE2 3.2Å; L76-F78 HydrophobicContact CD2-CZ 3.33Å
77S92.9Very high92.5Very high2 Ų242.8 Ų42.81%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-126.8121.9-166.9550000110.6I61 S75 N133 N134 Q137I61-S77 CarbonylContact O-C 3.6Å; I61-S77 VanDerWaalsContact O-CA 3.31Å; I61-S77 WeakPolarHBondContact O-CA 3.46Å; S75-S77 PolarHBondContact O-N 2.96Å; S77-N133 WeakPolarHBondContact O-CB 3.02Å; S77-N133 PolarHBondContact O-N 3.39Å; S77-N133 WeakPolarHBondContact OG-CB 3.29Å; S77-N134 PolarHBondContact OG-ND2 3.46Å; S77-N134 VanDerWaalsContact OG-ND2 3.12Å; S77-N134 PolarHBondContact OG-OD1 3.12Å; S77-Q137 VanDerWaalsContact N-OE1 3.16Å; S77-Q137 PolarHBondContact O-OE1 3.49Å; S77-Q137 VanDerWaalsContact O-OE1 3.05Å
78F93.1Very high92.5Very high28 Ų2841.4 Ų41.412%0.12322%0.217CC..EExtended strand (participates in β ladder)trans-102.5121.8178.4-61.7-67.9000110.5L10 I60 I61 L76 T131L10-F78 HydrophobicContact CD1-CD1 4.01Å; L10-F78 HydrophobicContact CD1-CD2 4.29Å; L10-F78 HydrophobicContact CD1-CE1 3.87Å; L10-F78 HydrophobicContact CD1-CE2 4.16Å; L10-F78 HydrophobicContact CD1-CG 4.19Å; L10-F78 HydrophobicContact CD1-CZ 3.93Å; I60-F78 WeakPolarHBondContact CA-O 3.35Å; I61-F78 HydrophobicContact CB-CB 4.42Å; I61-F78 PolarHBondContact N-O 3.43Å; I61-F78 PolarHBondContact O-N 3.41Å; L76-F78 HydrophobicContact CD2-CD2 3.98Å; L76-F78 HydrophobicContact CD2-CE1 4.16Å; L76-F78 HydrophobicContact CD2-CE2 3.2Å; L76-F78 HydrophobicContact CD2-CZ 3.33Å; F78-T131 CarbonylContact C-O 3.55Å; F78-T131 VanDerWaalsContact CA-O 3.23Å; F78-T131 WeakPolarHBondContact CA-O 3.43Å; F78-T131 VanDerWaalsContact CD1-OG1 3.3Å; F78-T131 WeakPolarHBondContact CD1-OG1 3.29Å
79K92.9Very high92.6Very high40 Ų4037.9 Ų37.917%0.17420%0.196CC..EExtended strand (participates in β ladder)trans-93.3111.1171.8-177.5173.5177.5179.80109.3D81 S84 T131 N133K79-D81 HydrophobicContact CG-CB 4.25Å; K79-S84 PolarHBondContact O-OG 3.46Å; K79-T131 PolarHBondContact N-O 3.23Å; K79-N133 HydrophobicContact CB-CB 3.88Å
80L92.9Very high92.8Very high3 Ų334.8 Ų34.82%0.01618%0.177CC..EExtended strand (participates in β ladder)trans-10376.3179.6-63.4176.7000110.1T6 E58 V59 I61 S84 M85 T131T6-L80 HydrophobicContact CG2-CD1 3.64Å; T6-L80 VanDerWaalsContact OG1-CD1 3.27Å; T6-L80 WeakPolarHBondContact OG1-CD1 3.4Å; E58-L80 WeakPolarHBondContact CA-O 3.32Å; V59-L80 HydrophobicContact CB-CB 4.48Å; V59-L80 PolarHBondContact N-O 3.41Å; V59-L80 VanDerWaalsContact N-O 3.08Å; V59-L80 WeakPolarHBondContact O-CA 3.38Å; V59-L80 VanDerWaalsContact O-CB 3.27Å; V59-L80 WeakPolarHBondContact O-CB 3.09Å; V59-L80 PolarHBondContact O-N 3.39Å; I61-L80 HydrophobicContact CD1-CD1 3.47Å; I61-L80 VanDerWaalsContact CD1-CD1 3.47Å; I61-L80 HydrophobicContact CG1-CD1 4.09Å; L80-S84 VanDerWaalsContact CA-OG 3.27Å; L80-S84 WeakPolarHBondContact CA-OG 3.3Å; L80-M85 HydrophobicContact CB-CE 3.58Å; L80-M85 HydrophobicContact CD1-CE 4Å; L80-M85 HydrophobicContact CD2-CE 4.01Å; L80-M85 HydrophobicContact CG-CE 4.06Å; L80-T131 HydrophobicContact CD2-CG2 4.42Å
81D92.4Very high93Very high3 Ų325.4 Ų25.42%0.01613%0.133CC..SBendtrans-104.6-178.8176.467.9-19.5000112.2E58 K79 F83 S84 M85 R260E58-D81 HydrophobicContact CG-CB 4.27Å; K79-D81 HydrophobicContact CG-CB 4.25Å; D81-F83 VanDerWaalsContact C-N 3.26Å; D81-F83 PolarHBondContact O-N 2.92Å; D81-F83 WeakPolarHBondContact OD2-CD2 3.39Å; D81-S84 PolarHBondContact N-OG 3.39Å; D81-S84 PolarHBondContact O-N 3.18Å; D81-S84 VanDerWaalsContact O-N 3.17Å; D81-S84 PolarHBondContact O-OG 3.36Å; D81-S84 PolarHBondContact OD1-N 2.96Å; D81-S84 PolarHBondContact OD1-OG 3.06Å; D81-S84 VanDerWaalsContact OD1-OG 3.06Å; D81-M85 WeakPolarHBondContact O-CB 3.5Å; D81-M85 WeakPolarHBondContact O-CG 3.43Å; D81-M85 PolarHBondContact O-N 3.19Å; D81-R260 IonicContact OD1-CZ 2.87Å; D81-R260 IonicContact OD1-NH1 2.71Å; D81-R260 PolarHBondContact OD1-NH1 3.41Å; D81-R260 IonicContact OD1-NH2 3.46Å; D81-R260 PolarHBondContact OD1-NH2 3.25Å; D81-R260 IonicContact OD2-CZ 2.8Å; D81-R260 VanDerWaalsContact OD2-CZ 3.27Å; D81-R260 IonicContact OD2-NH1 3.16Å; D81-R260 PolarHBondContact OD2-NH1 3.31Å; D81-R260 IonicContact OD2-NH2 3.11Å
82Y92Very high93.3Very high18 Ų1820.8 Ų20.87%0.07111%0.105CC..Hα-helixtrans-43.7-49.9174.5172.9-111.1000113.4F52 M85 M86 H321 F324 I470F52-Y82 AromaticContact CE1-CD2 3.84Å; F52-Y82 HydrophobicContact CE1-CD2 3.84Å; F52-Y82 HydrophobicContact CZ-CD2 4.17Å; Y82-M85 PolarHBondContact O-N 3.33Å; Y82-M86 HydrophobicContact CD2-CG 3.96Å; Y82-M86 HydrophobicContact CE2-CE 3.74Å; Y82-M86 HydrophobicContact CE2-CG 3.63Å; Y82-M86 WeakPolarHBondContact O-CB 3.34Å; Y82-M86 WeakPolarHBondContact O-CG 3.44Å; Y82-M86 PolarHBondContact O-N 2.99Å; Y82-H321 AromaticContact CE1-CD2 3.98Å; Y82-F324 HydrophobicContact CD1-CD1 4.33Å; Y82-F324 HydrophobicContact CD1-CE1 4.48Å; Y82-F324 AromaticContact CE1-CD1 3.54Å; Y82-F324 HydrophobicContact CE1-CD1 3.54Å; Y82-F324 AromaticContact CE1-CE1 3.9Å; Y82-F324 HydrophobicContact CE1-CE1 3.9Å; Y82-F324 HydrophobicContact CE1-CG 4.47Å; Y82-F324 AromaticContact CZ-CD1 3.99Å; Y82-I470 HydrophobicContact CE2-CB 4.47Å; Y82-I470 HydrophobicContact CE2-CD1 4.48Å; Y82-I470 HydrophobicContact CE2-CG1 3.87Å; Y82-I470 HydrophobicContact CE2-CG2 3.89Å; Y82-I470 WeakPolarHBondContact OH-CD1 3.18Å; Y82-I470 WeakPolarHBondContact OH-CG1 3.42Å
83F93.9Very high93.7Very high21 Ų2121.4 Ų21.49%0.09211%0.106CC..Hα-helixtrans-64.9-45.1-176.4-58.2-53.4000112.5D81 F87 F256 I259 H321 F324D81-F83 VanDerWaalsContact C-N 3.26Å; D81-F83 PolarHBondContact O-N 2.92Å; D81-F83 WeakPolarHBondContact OD2-CD2 3.39Å; F83-F87 WeakPolarHBondContact O-CB 3.38Å; F83-F87 PolarHBondContact O-N 3.1Å; F83-F87 VanDerWaalsContact O-N 3.17Å; F83-F256 HydrophobicContact CB-CE2 3.86Å; F83-F256 HydrophobicContact CB-CZ 4.26Å; F83-I259 HydrophobicContact CD1-CG2 3.79Å; F83-I259 HydrophobicContact CD2-CG2 4.1Å; F83-I259 HydrophobicContact CE1-CG2 3.39Å; F83-I259 HydrophobicContact CE2-CG2 3.74Å; F83-I259 HydrophobicContact CG-CG2 4.14Å; F83-I259 HydrophobicContact CZ-CG2 3.37Å; F83-H321 AromaticContact CZ-NE2 3.94Å; F83-F324 HydrophobicContact CB-CD2 4.39Å; F83-F324 HydrophobicContact CB-CE2 4.07Å; F83-F324 HydrophobicContact CB-CZ 4.34Å; F83-F324 HydrophobicContact CD1-CB 3.99Å; F83-F324 AromaticContact CD1-CD1 3.86Å; F83-F324 HydrophobicContact CD1-CD1 3.86Å; F83-F324 AromaticContact CD1-CD2 3.68Å; F83-F324 HydrophobicContact CD1-CD2 3.68Å; F83-F324 HydrophobicContact CD1-CE1 4.27Å; F83-F324 HydrophobicContact CD1-CE2 4.12Å; F83-F324 AromaticContact CD1-CG 3.54Å; F83-F324 HydrophobicContact CD1-CG 3.54Å; F83-F324 HydrophobicContact CD1-CZ 4.4Å; F83-F324 HydrophobicContact CE1-CB 3.99Å; F83-F324 HydrophobicContact CE1-CD1 4.4Å; F83-F324 HydrophobicContact CE1-CD2 4.49Å; F83-F324 HydrophobicContact CE1-CG 4.03Å; F83-F324 HydrophobicContact CG-CD2 4.45Å; F83-F324 WeakPolarHBondContact O-CE2 3.46Å; F83-F324 WeakPolarHBondContact O-CZ 3.4Å
84S93.7Very high94Very high0 Ų014.8 Ų14.80%08%0.075CC..Hα-helixtrans-69.4-44.7177.960.20000112.2K79 L80 D81 M86 F87 I88K79-S84 PolarHBondContact O-OG 3.46Å; L80-S84 VanDerWaalsContact CA-OG 3.27Å; L80-S84 WeakPolarHBondContact CA-OG 3.3Å; D81-S84 PolarHBondContact N-OG 3.39Å; D81-S84 PolarHBondContact O-N 3.18Å; D81-S84 VanDerWaalsContact O-N 3.17Å; D81-S84 PolarHBondContact O-OG 3.36Å; D81-S84 PolarHBondContact OD1-N 2.96Å; D81-S84 PolarHBondContact OD1-OG 3.06Å; D81-S84 VanDerWaalsContact OD1-OG 3.06Å; S84-M86 PolarHBondContact O-N 3.24Å; S84-F87 PolarHBondContact O-N 3.32Å; S84-I88 WeakPolarHBondContact O-CD1 3.45Å; S84-I88 WeakPolarHBondContact O-CG1 3.06Å; S84-I88 PolarHBondContact O-N 3.27Å
85M92.8Very high94.2Very high3 Ų313.8 Ų13.82%0.0157%0.07CC..Hα-helixtrans-59.3-49.1-177.2-78.9-65169.700110.6H2 T6 P48 T49 F52 L80 D81 Y82 P89H2-M85 WeakPolarHBondContact CE1-CE 3.47Å; H2-M85 WeakPolarHBondContact NE2-CE 3.26Å; T6-M85 HydrophobicContact CG2-CE 3.63Å; P48-M85 HydrophobicContact CB-CE 4.12Å; P48-M85 HydrophobicContact CB-SD 4Å; T49-M85 HydrophobicContact CG2-CB 4.21Å; T49-M85 WeakPolarHBondContact CG2-O 3.47Å; T49-M85 HydrophobicContact CG2-SD 4.32Å; F52-M85 HydrophobicContact CB-CB 4.39Å; F52-M85 HydrophobicContact CB-CG 4.08Å; F52-M85 HydrophobicContact CD1-CB 4.24Å; F52-M85 HydrophobicContact CD2-CG 4.12Å; F52-M85 HydrophobicContact CG-CB 4.11Å; F52-M85 HydrophobicContact CG-CG 3.98Å; L80-M85 HydrophobicContact CB-CE 3.58Å; L80-M85 HydrophobicContact CD1-CE 4Å; L80-M85 HydrophobicContact CD2-CE 4.01Å; L80-M85 HydrophobicContact CG-CE 4.06Å; D81-M85 WeakPolarHBondContact O-CB 3.5Å; D81-M85 WeakPolarHBondContact O-CG 3.43Å; D81-M85 PolarHBondContact O-N 3.19Å; Y82-M85 PolarHBondContact O-N 3.33Å; M85-P89 WeakPolarHBondContact O-CD 3.47Å
86M93.3Very high94.4Very high16 Ų1614.8 Ų14.88%0.0797%0.069CC..Hα-helixtrans-70.3-36.4-180-69.1-65.5-13400113.5M53 Y82 S84 V90 F324 I466 I470M53-M86 HydrophobicContact CE-CE 3.12Å; M53-M86 HydrophobicContact CE-SD 3.63Å; M53-M86 HydrophobicContact SD-CE 3.6Å; M53-M86 HydrophobicContact SD-SD 4.22Å; Y82-M86 HydrophobicContact CD2-CG 3.96Å; Y82-M86 HydrophobicContact CE2-CE 3.74Å; Y82-M86 HydrophobicContact CE2-CG 3.63Å; Y82-M86 WeakPolarHBondContact O-CB 3.34Å; Y82-M86 WeakPolarHBondContact O-CG 3.44Å; Y82-M86 PolarHBondContact O-N 2.99Å; S84-M86 PolarHBondContact O-N 3.24Å; M86-V90 WeakPolarHBondContact O-CG2 3.06Å; M86-F324 HydrophobicContact CB-CE1 3.55Å; M86-F324 HydrophobicContact CB-CZ 3.76Å; M86-F324 HydrophobicContact CG-CE1 4.28Å; M86-I466 HydrophobicContact CE-CG2 4.32Å; M86-I470 HydrophobicContact CE-CD1 4.1Å; M86-I470 HydrophobicContact CE-CG1 3.3Å
87F95.1Very high94.7Very high0 Ų012 Ų120%05%0.054CC..Hα-helixtrans-75-35.8-174.9-174.5-89.8000113.1F83 S84 V90 A91 M126 V130 S248 V252 F324 I327F83-F87 WeakPolarHBondContact O-CB 3.38Å; F83-F87 PolarHBondContact O-N 3.1Å; F83-F87 VanDerWaalsContact O-N 3.17Å; S84-F87 PolarHBondContact O-N 3.32Å; F87-V90 PolarHBondContact O-N 3.34Å; F87-A91 HydrophobicContact CD1-CB 4.09Å; F87-A91 HydrophobicContact CE1-CB 3.71Å; F87-A91 HydrophobicContact CZ-CB 4.25Å; F87-A91 WeakPolarHBondContact O-CB 3.45Å; F87-A91 PolarHBondContact O-N 3.44Å; F87-M126 HydrophobicContact CE1-CE 3.75Å; F87-M126 HydrophobicContact CE1-CG 4.29Å; F87-M126 HydrophobicContact CZ-CE 3.53Å; F87-V130 HydrophobicContact CB-CG1 4.08Å; F87-V130 HydrophobicContact CD1-CB 4.13Å; F87-V130 HydrophobicContact CD1-CG1 3.7Å; F87-V130 HydrophobicContact CD1-CG2 3.51Å; F87-V130 HydrophobicContact CE1-CB 4.49Å; F87-V130 HydrophobicContact CE1-CG2 3.48Å; F87-V130 VanDerWaalsContact CE1-CG2 3.48Å; F87-V130 HydrophobicContact CG-CG1 4.18Å; F87-V130 HydrophobicContact CG-CG2 4.35Å; F87-V130 HydrophobicContact CZ-CG2 4.29Å; F87-S248 WeakPolarHBondContact CE2-O 3.36Å; F87-S248 WeakPolarHBondContact CZ-O 3.26Å; F87-V252 HydrophobicContact CE2-CG1 4.38Å; F87-F324 HydrophobicContact CB-CE2 4.04Å; F87-F324 HydrophobicContact CB-CZ 3.95Å; F87-F324 HydrophobicContact CD2-CE2 4.42Å; F87-I327 HydrophobicContact CD2-CG2 4.21Å; F87-I327 HydrophobicContact CE2-CG2 4.04Å
88I94.9Very high94.9Very high10 Ų1011.9 Ų11.95%0.0515%0.053CC..Hα-helixtrans-57.6-52-176.5-67.9161.8000111.9S84 V90 A91 L92 L127 T131S84-I88 WeakPolarHBondContact O-CD1 3.45Å; S84-I88 WeakPolarHBondContact O-CG1 3.06Å; S84-I88 PolarHBondContact O-N 3.27Å; I88-V90 VanDerWaalsContact C-N 3.34Å; I88-V90 PolarHBondContact O-N 2.88Å; I88-A91 PolarHBondContact O-N 3.23Å; I88-L92 HydrophobicContact CG2-CD1 3.73Å; I88-L92 HydrophobicContact CG2-CG 4.38Å; I88-L92 WeakPolarHBondContact O-CB 3.2Å; I88-L92 VanDerWaalsContact O-CG 3.29Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 3.34Å; I88-L127 HydrophobicContact CB-CD2 4.27Å; I88-L127 HydrophobicContact CG1-CD2 3.88Å; I88-L127 HydrophobicContact CG2-CD2 4.05Å; I88-T131 HydrophobicContact CD1-CG2 3.66Å; I88-T131 HydrophobicContact CG1-CG2 4.32Å
89P95.3Very high95Very high12 Ų1210.5 Ų10.58%0.0785%0.047CC..Hα-helixtrans-64.2-36.7177.3-19.830.1000113F42 L46 T49 M85 L92 F93F42-P89 HydrophobicContact CD2-CB 4.32Å; F42-P89 WeakPolarHBondContact CD2-O 3.31Å; F42-P89 HydrophobicContact CE2-CB 4.06Å; L46-P89 HydrophobicContact CD2-CB 4.24Å; T49-P89 HydrophobicContact CG2-CG 3.39Å; M85-P89 WeakPolarHBondContact O-CD 3.47Å; P89-L92 PolarHBondContact O-N 3.19Å; P89-F93 WeakPolarHBondContact O-CB 3.49Å; P89-F93 PolarHBondContact O-N 3.45Å
90V96.3Very high95.2Very high11 Ų119 Ų97%0.0674%0.041CC..Hα-helixtrans-62.7-48177.7174.40000110.3M86 F87 I88 F93 V94 C328 A331 F332M86-V90 WeakPolarHBondContact O-CG2 3.06Å; F87-V90 PolarHBondContact O-N 3.34Å; I88-V90 VanDerWaalsContact C-N 3.34Å; I88-V90 PolarHBondContact O-N 2.88Å; V90-F93 PolarHBondContact O-N 3.42Å; V90-V94 WeakPolarHBondContact O-CG2 3.44Å; V90-V94 PolarHBondContact O-N 2.93Å; V90-C328 HydrophobicContact CG2-CB 4.34Å; V90-A331 HydrophobicContact CG1-CB 3.71Å; V90-F332 HydrophobicContact CG1-CE2 4.01Å; V90-F332 HydrophobicContact CG1-CZ 4.21Å; V90-F332 HydrophobicContact CG2-CE2 4.14Å; V90-F332 HydrophobicContact CG2-CZ 4.16Å
91A96.1Very high95.4Very high0 Ų08.8 Ų8.80%04%0.04CC..Hα-helixtrans-62.5-44.4177.100000111.7F87 I88 T95F87-A91 HydrophobicContact CD1-CB 4.09Å; F87-A91 HydrophobicContact CE1-CB 3.71Å; F87-A91 HydrophobicContact CZ-CB 4.25Å; F87-A91 WeakPolarHBondContact O-CB 3.45Å; F87-A91 PolarHBondContact O-N 3.44Å; I88-A91 PolarHBondContact O-N 3.23Å; A91-T95 WeakPolarHBondContact O-CB 3.27Å; A91-T95 VanDerWaalsContact O-CG2 3.27Å; A91-T95 WeakPolarHBondContact O-CG2 3.45Å; A91-T95 PolarHBondContact O-N 3.45Å; A91-T95 PolarHBondContact O-OG1 3.41Å
92L96.4Very high95.6Very high1 Ų18.7 Ų8.71%0.0054%0.039CC..Hα-helixtrans-65.5-39.1177.7-70.9174.5000112.6L13 V38 F42 I88 P89 T95 W96 L123 L127L13-L92 HydrophobicContact CD1-CD2 4.35Å; V38-L92 HydrophobicContact CG1-CD2 4.35Å; F42-L92 HydrophobicContact CB-CB 4Å; F42-L92 HydrophobicContact CD2-CB 4.22Å; I88-L92 HydrophobicContact CG2-CD1 3.73Å; I88-L92 HydrophobicContact CG2-CG 4.38Å; I88-L92 WeakPolarHBondContact O-CB 3.2Å; I88-L92 VanDerWaalsContact O-CG 3.29Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 3.34Å; P89-L92 PolarHBondContact O-N 3.19Å; L92-T95 WeakPolarHBondContact CA-OG1 3.44Å; L92-T95 PolarHBondContact O-OG1 2.83Å; L92-T95 VanDerWaalsContact O-OG1 3.08Å; L92-W96 VanDerWaalsContact O-CB 3.29Å; L92-W96 WeakPolarHBondContact O-CB 3.43Å; L92-W96 PolarHBondContact O-N 2.92Å; L92-L123 HydrophobicContact CD2-CD1 4.2Å; L92-L123 HydrophobicContact CD2-CD2 3.86Å; L92-L123 HydrophobicContact CD2-CG 4.46Å; L92-L127 HydrophobicContact CD2-CD1 4.28Å
93F96.8Very high95.8Very high31 Ų318.6 Ų8.614%0.1364%0.04CC..Hα-helixtrans-65.3-47.1177-175.5-96000112F42 P89 V90 W96 S97 F332 R454 L455F42-F93 HydrophobicContact CD2-CB 3.98Å; F42-F93 HydrophobicContact CE1-CD2 4.05Å; F42-F93 HydrophobicContact CE2-CB 3.75Å; F42-F93 AromaticContact CE2-CD2 3.94Å; F42-F93 HydrophobicContact CE2-CD2 3.94Å; F42-F93 HydrophobicContact CE2-CG 4.3Å; F42-F93 HydrophobicContact CZ-CB 4.36Å; F42-F93 AromaticContact CZ-CD2 3.66Å; F42-F93 HydrophobicContact CZ-CD2 3.66Å; F42-F93 HydrophobicContact CZ-CE2 4.46Å; F42-F93 HydrophobicContact CZ-CG 4.45Å; P89-F93 WeakPolarHBondContact O-CB 3.49Å; P89-F93 PolarHBondContact O-N 3.45Å; V90-F93 PolarHBondContact O-N 3.42Å; F93-W96 HydrophobicContact CD2-CE3 4.14Å; F93-W96 HydrophobicContact CD2-CZ3 4.31Å; F93-W96 HydrophobicContact CE2-CE3 4.32Å; F93-W96 HydrophobicContact CE2-CZ3 4.13Å; F93-W96 PolarHBondContact O-N 2.88Å; F93-S97 PolarHBondContact O-N 3.43Å; F93-S97 VanDerWaalsContact O-N 3.15Å; F93-F332 HydrophobicContact CD1-CD1 4.01Å; F93-F332 AromaticContact CD1-CE1 3.43Å; F93-F332 HydrophobicContact CD1-CE1 3.43Å; F93-F332 VanDerWaalsContact CD1-CE1 3.43Å; F93-F332 HydrophobicContact CD1-CZ 4.48Å; F93-F332 HydrophobicContact CE1-CD1 4.01Å; F93-F332 AromaticContact CE1-CE1 3.67Å; F93-F332 HydrophobicContact CE1-CE1 3.67Å; F93-F332 HydrophobicContact CG-CE1 4.31Å; F93-R454 HydrophobicContact CZ-CB 3.92Å; F93-L455 HydrophobicContact CD1-CD2 4.13Å; F93-L455 HydrophobicContact CE1-CD2 3.91Å
94V97Very high95.9Very high0 Ų08.9 Ų8.90%04%0.04CC..Hα-helixtrans-64-46.6177.1171.70000110V90 W96 S97 I98 A331 A335 L455V90-V94 WeakPolarHBondContact O-CG2 3.44Å; V90-V94 PolarHBondContact O-N 2.93Å; V94-W96 VanDerWaalsContact C-N 3.35Å; V94-W96 PolarHBondContact O-N 2.64Å; V94-S97 PolarHBondContact O-N 3.41Å; V94-S97 VanDerWaalsContact O-N 3.14Å; V94-S97 PolarHBondContact O-OG 3.09Å; V94-I98 HydrophobicContact CG1-CD1 3.64Å; V94-I98 HydrophobicContact CG1-CG1 4.33Å; V94-I98 WeakPolarHBondContact O-CG1 3.32Å; V94-I98 PolarHBondContact O-N 2.73Å; V94-A331 HydrophobicContact CG2-CB 4.22Å; V94-A335 HydrophobicContact CG1-CB 3.64Å; V94-L455 HydrophobicContact CG2-CD2 4.17Å
95T96.3Very high96Very high0 Ų09.6 Ų9.60%04%0.043CC..Hα-helixtrans-64.9-36178.4540000113.2A91 L92 S97 I98 M99 L123 L244A91-T95 WeakPolarHBondContact O-CB 3.27Å; A91-T95 VanDerWaalsContact O-CG2 3.27Å; A91-T95 WeakPolarHBondContact O-CG2 3.45Å; A91-T95 PolarHBondContact O-N 3.45Å; A91-T95 PolarHBondContact O-OG1 3.41Å; L92-T95 WeakPolarHBondContact CA-OG1 3.44Å; L92-T95 PolarHBondContact O-OG1 2.83Å; L92-T95 VanDerWaalsContact O-OG1 3.08Å; T95-S97 VanDerWaalsContact C-N 3.31Å; T95-S97 PolarHBondContact O-N 3.45Å; T95-I98 PolarHBondContact O-N 2.98Å; T95-M99 WeakPolarHBondContact O-CB 3.05Å; T95-M99 WeakPolarHBondContact O-CG 3.36Å; T95-M99 PolarHBondContact O-N 3.38Å; T95-L123 HydrophobicContact CG2-CD1 3.8Å; T95-L244 HydrophobicContact CG2-CD1 3.6Å; T95-L244 HydrophobicContact CG2-CG 4.11Å
96W97.1Very high96Very high52 Ų529.6 Ų9.620%0.1974%0.043CC..Hα-helixtrans-58-44171.5171.539.8000112V38 A39 L92 F93 V94 E100V38-W96 HydrophobicContact CG1-CB 4.08Å; A39-W96 HydrophobicContact CB-CD2 4.33Å; A39-W96 HydrophobicContact CB-CG 4.26Å; L92-W96 VanDerWaalsContact O-CB 3.29Å; L92-W96 WeakPolarHBondContact O-CB 3.43Å; L92-W96 PolarHBondContact O-N 2.92Å; F93-W96 HydrophobicContact CD2-CE3 4.14Å; F93-W96 HydrophobicContact CD2-CZ3 4.31Å; F93-W96 HydrophobicContact CE2-CE3 4.32Å; F93-W96 HydrophobicContact CE2-CZ3 4.13Å; F93-W96 PolarHBondContact O-N 2.88Å; V94-W96 VanDerWaalsContact C-N 3.35Å; V94-W96 PolarHBondContact O-N 2.64Å; W96-E100 PolarHBondContact O-N 2.87Å; W96-E100 VanDerWaalsContact O-N 3.15Å
97S97.3Very high96Very high0 Ų015.2 Ų15.20%07%0.073CC..Hα-helixtrans-64.3-42.2175.972.20000112.8F93 V94 T95 E100 F101 P451 L455F93-S97 PolarHBondContact O-N 3.43Å; F93-S97 VanDerWaalsContact O-N 3.15Å; V94-S97 PolarHBondContact O-N 3.41Å; V94-S97 VanDerWaalsContact O-N 3.14Å; V94-S97 PolarHBondContact O-OG 3.09Å; T95-S97 VanDerWaalsContact C-N 3.31Å; T95-S97 PolarHBondContact O-N 3.45Å; S97-E100 PolarHBondContact O-N 2.83Å; S97-F101 WeakPolarHBondContact O-CB 3.34Å; S97-F101 PolarHBondContact O-N 2.88Å; S97-P451 WeakPolarHBondContact O-CB 3.49Å; S97-L455 WeakPolarHBondContact OG-CD1 3.45Å
98I97.1Very high95.8Very high0 Ų020 Ų200%011%0.107CC..Hα-helixtrans-68.5-40.5-179.8-65.2171.6000111.2V94 T95 E100 F101 S102 L119 P240 A243 L244V94-I98 HydrophobicContact CG1-CD1 3.64Å; V94-I98 HydrophobicContact CG1-CG1 4.33Å; V94-I98 WeakPolarHBondContact O-CG1 3.32Å; V94-I98 PolarHBondContact O-N 2.73Å; T95-I98 PolarHBondContact O-N 2.98Å; I98-E100 VanDerWaalsContact C-N 3.31Å; I98-E100 PolarHBondContact O-N 3.39Å; I98-F101 PolarHBondContact O-N 2.63Å; I98-S102 PolarHBondContact O-N 2.88Å; I98-S102 PolarHBondContact O-OG 3.23Å; I98-L119 HydrophobicContact CG2-CD1 4.19Å; I98-P240 HydrophobicContact CG2-CB 3.91Å; I98-P240 WeakPolarHBondContact CG2-O 3.24Å; I98-A243 HydrophobicContact CD1-CB 4.03Å; I98-A243 HydrophobicContact CG1-CB 4.29Å; I98-L244 HydrophobicContact CD1-CB 3.64Å; I98-L244 HydrophobicContact CD1-CD1 4.23Å; I98-L244 HydrophobicContact CD1-CG 3.99Å; I98-L244 HydrophobicContact CG2-CB 4.41Å; I98-L244 HydrophobicContact CG2-CD1 4.31Å
99M95.8Very high95.7Very high0 Ų021.1 Ų21.10%011%0.113CC..Hα-helixtrans-64.4-35.1176.6-72.5-65.5-136.200112.1V34 T95 S102 L103 F116 L119 L120V34-M99 HydrophobicContact CG1-CE 3.47Å; V34-M99 VanDerWaalsContact CG1-CE 3.47Å; T95-M99 WeakPolarHBondContact O-CB 3.05Å; T95-M99 WeakPolarHBondContact O-CG 3.36Å; T95-M99 PolarHBondContact O-N 3.38Å; M99-S102 WeakPolarHBondContact CA-OG 3.46Å; M99-S102 PolarHBondContact O-OG 2.92Å; M99-L103 PolarHBondContact O-N 2.9Å; M99-F116 HydrophobicContact CB-CE1 4.07Å; M99-F116 HydrophobicContact CE-CD1 3.93Å; M99-F116 HydrophobicContact CG-CE1 4.45Å; M99-F116 WeakPolarHBondContact O-CE1 3.29Å; M99-F116 VanDerWaalsContact O-CZ 3.3Å; M99-F116 WeakPolarHBondContact O-CZ 3.34Å; M99-F116 HydrophobicContact SD-CD1 3.42Å; M99-F116 WeakPolarHBondContact SD-CD1 3.31Å; M99-F116 HydrophobicContact SD-CE1 3.61Å; M99-F116 HydrophobicContact SD-CG 4.27Å; M99-L119 HydrophobicContact CE-CB 4.03Å; M99-L119 HydrophobicContact CE-CD2 3.57Å; M99-L119 HydrophobicContact CE-CG 4.24Å; M99-L119 HydrophobicContact CG-CD2 4.12Å; M99-L119 HydrophobicContact SD-CB 4.11Å; M99-L119 HydrophobicContact SD-CD1 3.67Å; M99-L119 HydrophobicContact SD-CD2 3.52Å; M99-L119 VanDerWaalsContact SD-CD2 3.52Å; M99-L119 HydrophobicContact SD-CG 3.94Å; M99-L120 HydrophobicContact CE-CB 4.36Å
100E97Very high95.5Very high7 Ų726.1 Ų26.13%0.03315%0.146CC..Hα-helixtrans-71.4-40.8173.2-173.6163.9-163.600111.9K35 W96 S97 I98 S102 L103 P451 R454K35-E100 HydrophobicContact CD-CB 4.18Å; K35-E100 HydrophobicContact CD-CG 4.33Å; K35-E100 VanDerWaalsContact CE-CD 3.43Å; K35-E100 VanDerWaalsContact CE-OE2 3.28Å; K35-E100 WeakPolarHBondContact CE-OE2 3.02Å; K35-E100 IonicContact NZ-OE1 2.62Å; K35-E100 PolarHBondContact NZ-OE1 3.47Å; K35-E100 IonicContact NZ-OE2 3.1Å; K35-E100 PolarHBondContact NZ-OE2 3.23Å; W96-E100 PolarHBondContact O-N 2.87Å; W96-E100 VanDerWaalsContact O-N 3.15Å; S97-E100 PolarHBondContact O-N 2.83Å; I98-E100 VanDerWaalsContact C-N 3.31Å; I98-E100 PolarHBondContact O-N 3.39Å; E100-S102 VanDerWaalsContact C-N 3.33Å; E100-S102 PolarHBondContact O-N 3.03Å; E100-L103 WeakPolarHBondContact O-CB 3.38Å; E100-L103 PolarHBondContact O-N 3.08Å; E100-P451 HydrophobicContact CB-CB 4.45Å; E100-P451 HydrophobicContact CB-CG 4.38Å; E100-P451 HydrophobicContact CG-CG 4.33Å; E100-R454 IonicContact OE2-CZ 3.22Å; E100-R454 IonicContact OE2-NH1 2.73Å; E100-R454 PolarHBondContact OE2-NH1 3.32Å; E100-R454 IonicContact OE2-NH2 2.87Å; E100-R454 PolarHBondContact OE2-NH2 3.48Å
101F97.1Very high95.3Very high0 Ų029.7 Ų29.70%016%0.164CC..Hα-helixtrans-62.7-38175175.8-102.6000112.4S97 I98 L103 W104 Y105 P240 M339 L448 P451S97-F101 WeakPolarHBondContact O-CB 3.34Å; S97-F101 PolarHBondContact O-N 2.88Å; I98-F101 PolarHBondContact O-N 2.63Å; F101-L103 VanDerWaalsContact C-N 3.29Å; F101-L103 PolarHBondContact O-N 3.35Å; F101-W104 HydrophobicContact CD2-CE3 4.27Å; F101-W104 AromaticContact CE2-CE3 3.77Å; F101-W104 HydrophobicContact CE2-CE3 3.77Å; F101-W104 AromaticContact CE2-CZ3 3.81Å; F101-W104 HydrophobicContact CE2-CZ3 3.81Å; F101-W104 HydrophobicContact CZ-CE3 4.29Å; F101-W104 HydrophobicContact CZ-CZ3 4.17Å; F101-W104 WeakPolarHBondContact O-CB 3.5Å; F101-W104 PolarHBondContact O-N 3.34Å; F101-W104 VanDerWaalsContact O-N 3.12Å; F101-Y105 AromaticContact CE1-CD2 3.96Å; F101-Y105 HydrophobicContact CE1-CD2 3.96Å; F101-Y105 HydrophobicContact CE1-CG 4.04Å; F101-Y105 AromaticContact CZ-CD2 3.73Å; F101-Y105 HydrophobicContact CZ-CD2 3.73Å; F101-Y105 HydrophobicContact CZ-CG 4.21Å; F101-Y105 PolarHBondContact O-N 3.21Å; F101-P240 HydrophobicContact CD1-CB 4.17Å; F101-P240 HydrophobicContact CD1-CG 3.87Å; F101-P240 HydrophobicContact CE1-CB 4.47Å; F101-P240 HydrophobicContact CE1-CG 3.84Å; F101-M339 HydrophobicContact CB-CG 4.48Å; F101-M339 HydrophobicContact CB-SD 3.96Å; F101-M339 HydrophobicContact CD1-CG 4.23Å; F101-M339 HydrophobicContact CD2-CB 4.38Å; F101-M339 HydrophobicContact CD2-CG 4.4Å; F101-M339 HydrophobicContact CE2-CB 4.43Å; F101-M339 HydrophobicContact CG-CG 4.12Å; F101-M339 HydrophobicContact CG-SD 4.2Å; F101-L448 HydrophobicContact CD2-CD1 3.75Å; F101-L448 HydrophobicContact CE2-CD1 3.6Å; F101-P451 HydrophobicContact CB-CG 4.19Å
102S96.3Very high95.1Very high0 Ų031 Ų310%017%0.171CC..Hα-helixtrans-69-23.6179.358.50000113.7I98 M99 E100 W104 M106 F116I98-S102 PolarHBondContact O-N 2.88Å; I98-S102 PolarHBondContact O-OG 3.23Å; M99-S102 WeakPolarHBondContact CA-OG 3.46Å; M99-S102 PolarHBondContact O-OG 2.92Å; E100-S102 VanDerWaalsContact C-N 3.33Å; E100-S102 PolarHBondContact O-N 3.03Å; S102-W104 PolarHBondContact O-N 2.72Å; S102-M106 WeakPolarHBondContact O-CB 3.39Å; S102-M106 PolarHBondContact O-N 3.04Å; S102-F116 WeakPolarHBondContact OG-CE2 3.19Å; S102-F116 WeakPolarHBondContact OG-CZ 3.39Å
103L95.7Very high94.9Very high16 Ų1634 Ų348%0.08419%0.187CC..Hα-helixtrans-60.9-37.3170.4-67.4171.3000111.5P31 K35 M99 E100 F101 F116P31-L103 HydrophobicContact CB-CD2 3.27Å; P31-L103 HydrophobicContact CG-CD2 4.46Å; K35-L103 HydrophobicContact CD-CD1 3.97Å; M99-L103 PolarHBondContact O-N 2.9Å; E100-L103 WeakPolarHBondContact O-CB 3.38Å; E100-L103 PolarHBondContact O-N 3.08Å; F101-L103 VanDerWaalsContact C-N 3.29Å; F101-L103 PolarHBondContact O-N 3.35Å; L103-F116 HydrophobicContact CD2-CE1 4.22Å; L103-F116 HydrophobicContact CD2-CE2 4.23Å; L103-F116 HydrophobicContact CD2-CZ 3.59Å; L103-F116 HydrophobicContact CG-CE1 4.45Å; L103-F116 HydrophobicContact CG-CZ 3.83Å
104W95.8Very high94.7Very high28 Ų2836.2 Ų36.211%0.10620%0.198CC..Hα-helixtrans-78.2-51.8176.6176.868.9000111.5F101 S102 M106 N107 H346 T447 L448F101-W104 HydrophobicContact CD2-CE3 4.27Å; F101-W104 AromaticContact CE2-CE3 3.77Å; F101-W104 HydrophobicContact CE2-CE3 3.77Å; F101-W104 AromaticContact CE2-CZ3 3.81Å; F101-W104 HydrophobicContact CE2-CZ3 3.81Å; F101-W104 HydrophobicContact CZ-CE3 4.29Å; F101-W104 HydrophobicContact CZ-CZ3 4.17Å; F101-W104 WeakPolarHBondContact O-CB 3.5Å; F101-W104 PolarHBondContact O-N 3.34Å; F101-W104 VanDerWaalsContact O-N 3.12Å; S102-W104 PolarHBondContact O-N 2.72Å; W104-M106 PolarHBondContact O-N 2.99Å; W104-N107 WeakPolarHBondContact O-CB 3.25Å; W104-N107 PolarHBondContact O-N 3.39Å; W104-H346 HydrophobicContact CH2-CB 3.61Å; W104-H346 AromaticContact CH2-CG 3.72Å; W104-H346 AromaticContact CH2-ND1 3.55Å; W104-H346 HydrophobicContact CZ2-CB 4.45Å; W104-H346 AromaticContact CZ2-ND1 3.51Å; W104-H346 HydrophobicContact CZ3-CB 3.93Å; W104-T447 WeakPolarHBondContact CB-OG1 3.36Å; W104-L448 HydrophobicContact CD2-CB 4.14Å; W104-L448 HydrophobicContact CD2-CD1 4.42Å; W104-L448 HydrophobicContact CD2-CD2 4.47Å; W104-L448 HydrophobicContact CE3-CB 4.49Å; W104-L448 HydrophobicContact CE3-CD1 3.97Å; W104-L448 HydrophobicContact CG-CB 4.24Å; W104-L448 HydrophobicContact CH2-CD1 4.45Å; W104-L448 HydrophobicContact CH2-CD2 4.07Å; W104-L448 HydrophobicContact CZ2-CD2 3.96Å; W104-L448 HydrophobicContact CZ3-CD1 3.99Å; W104-L448 HydrophobicContact CZ3-CD2 4.41Å
105Y95.6Very high94.6Very high15 Ų1536.2 Ų36.26%0.05920%0.198CC..Hα-helixtrans-68.6-35.7-170.3-171.2-86.8000113.3F101 P238 T239 P240 H346F101-Y105 AromaticContact CE1-CD2 3.96Å; F101-Y105 HydrophobicContact CE1-CD2 3.96Å; F101-Y105 HydrophobicContact CE1-CG 4.04Å; F101-Y105 AromaticContact CZ-CD2 3.73Å; F101-Y105 HydrophobicContact CZ-CD2 3.73Å; F101-Y105 HydrophobicContact CZ-CG 4.21Å; F101-Y105 PolarHBondContact O-N 3.21Å; Y105-P238 HydrophobicContact CE1-CB 4.39Å; Y105-T239 WeakPolarHBondContact CD2-OG1 3.32Å; Y105-T239 HydrophobicContact CE2-CG2 4.19Å; Y105-T239 WeakPolarHBondContact CE2-OG1 3.44Å; Y105-P240 HydrophobicContact CD1-CG 3.84Å; Y105-P240 HydrophobicContact CG-CG 4.1Å; Y105-H346 HydrophobicContact CD2-CB 4.14Å; Y105-H346 HydrophobicContact CE2-CB 4Å
106M94.7Very high94.5Very high3 Ų336.2 Ų36.22%0.01520%0.198CC..THydrogen-bonded Turntrans-102.117.9-176.5-59.3-65.1-73.700112.9S102 W104 S108 D109 I112 F115 P238S102-M106 WeakPolarHBondContact O-CB 3.39Å; S102-M106 PolarHBondContact O-N 3.04Å; W104-M106 PolarHBondContact O-N 2.99Å; M106-S108 PolarHBondContact O-N 2.81Å; M106-D109 HydrophobicContact CE-CB 4.18Å; M106-D109 WeakPolarHBondContact CE-OD2 3.27Å; M106-D109 PolarHBondContact O-N 2.66Å; M106-I112 HydrophobicContact CB-CD1 4.26Å; M106-I112 HydrophobicContact CB-CG1 4.31Å; M106-F115 HydrophobicContact CE-CD2 4.2Å; M106-F115 HydrophobicContact CE-CE2 4.4Å; M106-F115 HydrophobicContact CG-CD1 4.43Å; M106-F115 HydrophobicContact CG-CE1 4.3Å; M106-P238 HydrophobicContact SD-CB 4.19Å
107N92.1Very high94.3Very high133 Ų13336.8 Ų36.871%0.71120%0.202SC*.THydrogen-bonded Turntrans-62.8-26.4-174.3-169.131.8000113.3W104W104-N107 WeakPolarHBondContact O-CB 3.25Å; W104-N107 PolarHBondContact O-N 3.39Å
108S91.5Very high94.2Very high101 Ų10138.7 Ų38.771%0.70621%0.209SC*.THydrogen-bonded Turntrans-77.9-18.2176.857.10000114M106M106-S108 PolarHBondContact O-N 2.81Å
109D92.9Very high94.1Very high34 Ų3438.9 Ų38.918%0.18221%0.21CC..  trans-83.4125.8-172.3-90.913.8000111.1M106 N111 I112 W155M106-D109 HydrophobicContact CE-CB 4.18Å; M106-D109 WeakPolarHBondContact CE-OD2 3.27Å; M106-D109 PolarHBondContact O-N 2.66Å; D109-N111 PolarHBondContact O-N 3.4Å; D109-I112 PolarHBondContact O-N 3.01Å; D109-W155 PolarHBondContact OD2-NE1 3.15Å
110P90.9Very high94.1Very high117 Ų11738.9 Ų38.976%0.7621%0.21SC*.THydrogen-bonded Turntrans-66-26.9-178.726.2-34.4000112.8I112P110-I112 PolarHBondContact O-N 2.62Å
111N92.3Very high94Very high86 Ų8640.3 Ų40.346%0.4622%0.218SC..THydrogen-bonded Turntrans-96.226.9-176-65.2-22000113.3D109 N113 Q114 F115 W155D109-N111 PolarHBondContact O-N 3.4Å; N111-N113 PolarHBondContact O-N 2.97Å; N111-N113 VanDerWaalsContact O-N 3.15Å; N111-Q114 WeakPolarHBondContact O-CB 3.42Å; N111-Q114 PolarHBondContact O-N 3.21Å; N111-F115 PolarHBondContact O-N 3.43Å; N111-W155 HydrophobicContact CB-CH2 4.15Å; N111-W155 HydrophobicContact CB-CZ2 4.04Å; N111-W155 WeakPolarHBondContact O-CH2 3.25Å
112I92.3Very high94Very high28 Ų2840.3 Ų40.314%0.14422%0.218CC..Hα-helixtrans-54.3-35.5-179.5-167171.6000113P31 M106 D109 P110 Q114 F115 F116P31-I112 HydrophobicContact CG-CD1 4.46Å; P31-I112 HydrophobicContact CG-CG1 4.32Å; P31-I112 HydrophobicContact CG-CG2 4.18Å; M106-I112 HydrophobicContact CB-CD1 4.26Å; M106-I112 HydrophobicContact CB-CG1 4.31Å; D109-I112 PolarHBondContact O-N 3.01Å; P110-I112 PolarHBondContact O-N 2.62Å; I112-Q114 VanDerWaalsContact C-N 3.33Å; I112-Q114 PolarHBondContact O-N 3.42Å; I112-F115 WeakPolarHBondContact O-CB 3.34Å; I112-F115 PolarHBondContact O-N 3.28Å; I112-F116 HydrophobicContact CD1-CE2 3.93Å; I112-F116 HydrophobicContact CG1-CD2 3.79Å; I112-F116 HydrophobicContact CG1-CE2 3.65Å; I112-F116 WeakPolarHBondContact O-CD2 3.45Å; I112-F116 PolarHBondContact O-N 3.07Å
113N91.9Very high93.9Very high64 Ų6440.4 Ų40.434%0.34222%0.218SC..Hα-helixtrans-62.8-40.2178.8-64.8-21.5000112.4Y30 P31 N111 F115 F116 K117Y30-N113 HydrophobicContact CD1-CB 4.04Å; Y30-N113 WeakPolarHBondContact CE1-O 3.33Å; P31-N113 VanDerWaalsContact CD-OD1 3.26Å; P31-N113 WeakPolarHBondContact CD-OD1 3.28Å; P31-N113 WeakPolarHBondContact CG-OD1 3.41Å; N111-N113 PolarHBondContact O-N 2.97Å; N111-N113 VanDerWaalsContact O-N 3.15Å; N113-F115 VanDerWaalsContact C-N 3.34Å; N113-F116 PolarHBondContact O-N 2.9Å; N113-K117 PolarHBondContact O-N 3.37Å
114Q92.2Very high93.9Very high77 Ų7741.1 Ų41.136%0.3622%0.222SC..Hα-helixtrans-67.5-38177.2-179.2179.54.900111N111 I112 K117 Y118 W155N111-Q114 WeakPolarHBondContact O-CB 3.42Å; N111-Q114 PolarHBondContact O-N 3.21Å; I112-Q114 VanDerWaalsContact C-N 3.33Å; I112-Q114 PolarHBondContact O-N 3.42Å; Q114-K117 WeakPolarHBondContact O-CB 3.03Å; Q114-K117 PolarHBondContact O-N 3.4Å; Q114-Y118 HydrophobicContact CG-CD2 4.38Å; Q114-Y118 HydrophobicContact CG-CE1 4.18Å; Q114-Y118 HydrophobicContact CG-CE2 3.9Å; Q114-Y118 PolarHBondContact NE2-OH 3.48Å; Q114-Y118 PolarHBondContact O-N 3.48Å; Q114-W155 HydrophobicContact CB-CH2 4.09Å; Q114-W155 HydrophobicContact CG-CH2 4.19Å; Q114-W155 HydrophobicContact CG-CZ3 4.21Å
115F94.4Very high93.9Very high0 Ų040.7 Ų40.70%022%0.222CC..Hα-helixtrans-59-49.8174.6-178-95.8000111.8M106 N111 I112 N113 K117 Y118 L119 L152 W155 P238 P240 V241M106-F115 HydrophobicContact CE-CD2 4.2Å; M106-F115 HydrophobicContact CE-CE2 4.4Å; M106-F115 HydrophobicContact CG-CD1 4.43Å; M106-F115 HydrophobicContact CG-CE1 4.3Å; N111-F115 PolarHBondContact O-N 3.43Å; I112-F115 WeakPolarHBondContact O-CB 3.34Å; I112-F115 PolarHBondContact O-N 3.28Å; N113-F115 VanDerWaalsContact C-N 3.34Å; F115-K117 VanDerWaalsContact C-N 3.29Å; F115-K117 PolarHBondContact O-N 2.9Å; F115-Y118 PolarHBondContact O-N 3.31Å; F115-L119 HydrophobicContact CE1-CD1 3.95Å; F115-L119 HydrophobicContact CZ-CD1 4.34Å; F115-L119 WeakPolarHBondContact O-CB 3.43Å; F115-L119 PolarHBondContact O-N 3.13Å; F115-L152 HydrophobicContact CD2-CD2 4.36Å; F115-L152 HydrophobicContact CE2-CD2 4.24Å; F115-W155 HydrophobicContact CB-CH2 3.64Å; F115-W155 HydrophobicContact CB-CZ2 3.83Å; F115-W155 HydrophobicContact CB-CZ3 4.11Å; F115-W155 HydrophobicContact CD2-CD2 4.06Å; F115-W155 HydrophobicContact CD2-CE3 4.15Å; F115-W155 HydrophobicContact CD2-CH2 4.44Å; F115-W155 HydrophobicContact CD2-CZ2 4.34Å; F115-W155 HydrophobicContact CD2-CZ3 4.33Å; F115-P238 HydrophobicContact CE2-CG 3.88Å; F115-P240 HydrophobicContact CZ-CB 4.21Å; F115-V241 HydrophobicContact CE2-CG2 3.47Å; F115-V241 VanDerWaalsContact CE2-CG2 3.47Å; F115-V241 HydrophobicContact CZ-CG2 3.65Å
116F94Very high93.9Very high0 Ų040 Ų400%022%0.22CC..Hα-helixtrans-64.1-33.4177-85.3-103.9000112.5Y30 P31 V34 M99 S102 L103 I112 N113 L120Y30-F116 HydrophobicContact CD1-CB 4.32Å; Y30-F116 HydrophobicContact CE1-CB 4.01Å; P31-F116 HydrophobicContact CB-CD1 4.07Å; P31-F116 HydrophobicContact CB-CD2 3.89Å; P31-F116 HydrophobicContact CB-CE1 3.96Å; P31-F116 HydrophobicContact CB-CE2 3.78Å; P31-F116 HydrophobicContact CB-CG 4.03Å; P31-F116 HydrophobicContact CB-CZ 3.8Å; P31-F116 HydrophobicContact CG-CD2 4.21Å; P31-F116 HydrophobicContact CG-CE2 4.39Å; V34-F116 HydrophobicContact CB-CD1 4.33Å; M99-F116 HydrophobicContact CB-CE1 4.07Å; M99-F116 HydrophobicContact CE-CD1 3.93Å; M99-F116 HydrophobicContact CG-CE1 4.45Å; M99-F116 WeakPolarHBondContact O-CE1 3.29Å; M99-F116 VanDerWaalsContact O-CZ 3.3Å; M99-F116 WeakPolarHBondContact O-CZ 3.34Å; M99-F116 HydrophobicContact SD-CD1 3.42Å; M99-F116 WeakPolarHBondContact SD-CD1 3.31Å; M99-F116 HydrophobicContact SD-CE1 3.61Å; M99-F116 HydrophobicContact SD-CG 4.27Å; S102-F116 WeakPolarHBondContact OG-CE2 3.19Å; S102-F116 WeakPolarHBondContact OG-CZ 3.39Å; L103-F116 HydrophobicContact CD2-CE1 4.22Å; L103-F116 HydrophobicContact CD2-CE2 4.23Å; L103-F116 HydrophobicContact CD2-CZ 3.59Å; L103-F116 HydrophobicContact CG-CE1 4.45Å; L103-F116 HydrophobicContact CG-CZ 3.83Å; I112-F116 HydrophobicContact CD1-CE2 3.93Å; I112-F116 HydrophobicContact CG1-CD2 3.79Å; I112-F116 HydrophobicContact CG1-CE2 3.65Å; I112-F116 WeakPolarHBondContact O-CD2 3.45Å; I112-F116 PolarHBondContact O-N 3.07Å; N113-F116 PolarHBondContact O-N 2.9Å; F116-L120 WeakPolarHBondContact O-CB 3.41Å; F116-L120 PolarHBondContact O-N 3.12Å
117K93.6Very high93.9Very high64 Ų6440 Ų4028%0.27822%0.22SC..Hα-helixtrans-63.1-47.6173.1-169.6-176.377.8176.10111.4T20 Y30 N113 Q114 F115 L120 I121T20-K117 HydrophobicContact CG2-CD 4.22Å; Y30-K117 HydrophobicContact CE1-CB 4.42Å; N113-K117 PolarHBondContact O-N 3.37Å; Q114-K117 WeakPolarHBondContact O-CB 3.03Å; Q114-K117 PolarHBondContact O-N 3.4Å; F115-K117 VanDerWaalsContact C-N 3.29Å; F115-K117 PolarHBondContact O-N 2.9Å; K117-L120 PolarHBondContact O-N 2.93Å; K117-I121 HydrophobicContact CG-CD1 4.01Å; K117-I121 VanDerWaalsContact O-CG1 3.32Å; K117-I121 WeakPolarHBondContact O-CG1 3.38Å; K117-I121 PolarHBondContact O-N 3.47Å
118Y95.6Very high94.1Very high40 Ų4036 Ų3616%0.15720%0.197CC..Hα-helixtrans-64.3-41178.5-68.3-13.8000112.2Q114 F115 L120 I121 F122 L151 L152 W155Q114-Y118 HydrophobicContact CG-CD2 4.38Å; Q114-Y118 HydrophobicContact CG-CE1 4.18Å; Q114-Y118 HydrophobicContact CG-CE2 3.9Å; Q114-Y118 PolarHBondContact NE2-OH 3.48Å; Q114-Y118 PolarHBondContact O-N 3.48Å; F115-Y118 PolarHBondContact O-N 3.31Å; Y118-L120 VanDerWaalsContact C-N 3.33Å; Y118-L120 PolarHBondContact O-N 3.22Å; Y118-I121 PolarHBondContact O-N 2.75Å; Y118-F122 VanDerWaalsContact O-CB 3.29Å; Y118-F122 WeakPolarHBondContact O-CB 3.48Å; Y118-F122 PolarHBondContact O-N 3.01Å; Y118-L151 HydrophobicContact CD2-CB 4.4Å; Y118-L151 HydrophobicContact CE2-CB 4.31Å; Y118-L152 HydrophobicContact CD2-CD2 4.35Å; Y118-W155 HydrophobicContact CD2-CE3 4.3Å; Y118-W155 AromaticContact CD2-CZ3 3.85Å; Y118-W155 HydrophobicContact CD2-CZ3 3.85Å; Y118-W155 HydrophobicContact CE2-CE3 4.47Å; Y118-W155 AromaticContact CE2-CZ3 3.96Å; Y118-W155 HydrophobicContact CE2-CZ3 3.96Å
119L94.8Very high94.3Very high3 Ų331.2 Ų31.22%0.01616%0.164CC..Hα-helixtrans-64.1-38.7176.7-158.1163.3000111.6I98 M99 F115 F122 L123 L244I98-L119 HydrophobicContact CG2-CD1 4.19Å; M99-L119 HydrophobicContact CE-CB 4.03Å; M99-L119 HydrophobicContact CE-CD2 3.57Å; M99-L119 HydrophobicContact CE-CG 4.24Å; M99-L119 HydrophobicContact CG-CD2 4.12Å; M99-L119 HydrophobicContact SD-CB 4.11Å; M99-L119 HydrophobicContact SD-CD1 3.67Å; M99-L119 HydrophobicContact SD-CD2 3.52Å; M99-L119 VanDerWaalsContact SD-CD2 3.52Å; M99-L119 HydrophobicContact SD-CG 3.94Å; F115-L119 HydrophobicContact CE1-CD1 3.95Å; F115-L119 HydrophobicContact CZ-CD1 4.34Å; F115-L119 WeakPolarHBondContact O-CB 3.43Å; F115-L119 PolarHBondContact O-N 3.13Å; L119-F122 WeakPolarHBondContact O-CB 3.2Å; L119-F122 PolarHBondContact O-N 3.5Å; L119-L123 PolarHBondContact O-N 2.95Å; L119-L244 HydrophobicContact CD1-CD1 4.09Å; L119-L244 HydrophobicContact CD2-CD1 3.17Å; L119-L244 HydrophobicContact CG-CD1 3.67Å
120L94.9Very high94.4Very high0 Ų029.6 Ų29.60%016%0.155CC..Hα-helixtrans-68-44.2174.7-177.266000112.8L13 P16 I17 V34 V38 M99 F116 K117 Y118 F122 L123 I124L13-L120 HydrophobicContact CB-CD1 4.41Å; L13-L120 HydrophobicContact CD2-CD1 3.99Å; P16-L120 HydrophobicContact CB-CD2 3.56Å; P16-L120 HydrophobicContact CG-CD2 3.82Å; I17-L120 HydrophobicContact CD1-CD2 4.24Å; I17-L120 HydrophobicContact CD1-CG 4.34Å; I17-L120 HydrophobicContact CG1-CD2 3.78Å; I17-L120 HydrophobicContact CG1-CG 4.37Å; V34-L120 HydrophobicContact CG1-CB 4.25Å; V34-L120 HydrophobicContact CG1-CD1 4.18Å; V34-L120 HydrophobicContact CG1-CD2 4.08Å; V34-L120 HydrophobicContact CG1-CG 4.41Å; V38-L120 HydrophobicContact CG2-CD1 4.29Å; M99-L120 HydrophobicContact CE-CB 4.36Å; F116-L120 WeakPolarHBondContact O-CB 3.41Å; F116-L120 PolarHBondContact O-N 3.12Å; K117-L120 PolarHBondContact O-N 2.93Å; Y118-L120 VanDerWaalsContact C-N 3.33Å; Y118-L120 PolarHBondContact O-N 3.22Å; L120-F122 VanDerWaalsContact C-N 3.26Å; L120-F122 PolarHBondContact O-N 3.42Å; L120-L123 HydrophobicContact CD1-CD2 4.4Å; L120-L123 WeakPolarHBondContact O-CB 3.49Å; L120-L123 PolarHBondContact O-N 3.42Å; L120-L123 VanDerWaalsContact O-N 3.16Å; L120-I124 HydrophobicContact CG-CD1 4.34Å; L120-I124 WeakPolarHBondContact O-CG1 3.46Å; L120-I124 PolarHBondContact O-N 2.97Å
121I95.6Very high94.6Very high38 Ų3824 Ų2420%0.19512%0.119CC..Hα-helixtrans-60.8-41.7176.1-66.5164.5000109.9I17 K117 Y118 L123 I124 T125 M148I17-I121 HydrophobicContact CD1-CG1 3.73Å; I17-I121 HydrophobicContact CG1-CG1 4.34Å; K117-I121 HydrophobicContact CG-CD1 4.01Å; K117-I121 VanDerWaalsContact O-CG1 3.32Å; K117-I121 WeakPolarHBondContact O-CG1 3.38Å; K117-I121 PolarHBondContact O-N 3.47Å; Y118-I121 PolarHBondContact O-N 2.75Å; I121-L123 VanDerWaalsContact C-N 3.34Å; I121-L123 PolarHBondContact O-N 2.81Å; I121-I124 PolarHBondContact O-N 3.48Å; I121-T125 HydrophobicContact CG2-CG2 4.4Å; I121-T125 WeakPolarHBondContact O-CG2 3.49Å; I121-T125 PolarHBondContact O-N 2.84Å; I121-T125 PolarHBondContact O-OG1 3.35Å; I121-M148 HydrophobicContact CB-SD 4Å; I121-M148 HydrophobicContact CG2-CE 3.72Å; I121-M148 HydrophobicContact CG2-CG 3.89Å; I121-M148 HydrophobicContact CG2-SD 3.57Å; I121-M148 VanDerWaalsContact CG2-SD 3.57Å
122F96.1Very high94.7Very high0 Ų020.2 Ų20.20%010%0.1CC..Hα-helixtrans-58.9-43.6174.6179.8-80000112.3Y118 L119 L120 I124 T125 M126 V145 M148 L152 L244 L245 T249 M250Y118-F122 VanDerWaalsContact O-CB 3.29Å; Y118-F122 WeakPolarHBondContact O-CB 3.48Å; Y118-F122 PolarHBondContact O-N 3.01Å; L119-F122 WeakPolarHBondContact O-CB 3.2Å; L119-F122 PolarHBondContact O-N 3.5Å; L120-F122 VanDerWaalsContact C-N 3.26Å; L120-F122 PolarHBondContact O-N 3.42Å; F122-I124 VanDerWaalsContact C-N 3.34Å; F122-I124 PolarHBondContact O-N 3.08Å; F122-T125 PolarHBondContact O-N 3.41Å; F122-T125 PolarHBondContact O-OG1 2.93Å; F122-M126 WeakPolarHBondContact O-CB 3.35Å; F122-M126 PolarHBondContact O-N 3.14Å; F122-V145 HydrophobicContact CE2-CB 4.27Å; F122-V145 HydrophobicContact CE2-CG1 3.63Å; F122-V145 HydrophobicContact CE2-CG2 4.46Å; F122-V145 HydrophobicContact CZ-CG1 3.86Å; F122-M148 HydrophobicContact CB-CB 3.97Å; F122-M148 HydrophobicContact CB-CG 4.4Å; F122-M148 HydrophobicContact CD2-CB 3.7Å; F122-M148 HydrophobicContact CG-CB 4.33Å; F122-L152 HydrophobicContact CB-CD1 4.31Å; F122-L152 HydrophobicContact CD2-CD1 4.43Å; F122-L152 HydrophobicContact CG-CD1 4.44Å; F122-L244 HydrophobicContact CD1-CD2 3.19Å; F122-L244 HydrophobicContact CE1-CD2 3.03Å; F122-L244 HydrophobicContact CG-CD2 4.29Å; F122-L244 HydrophobicContact CZ-CD2 4.01Å; F122-L245 HydrophobicContact CD2-CD2 3.76Å; F122-L245 HydrophobicContact CE1-CD2 4.05Å; F122-L245 HydrophobicContact CE2-CD2 3.09Å; F122-L245 HydrophobicContact CG-CD2 4.46Å; F122-L245 HydrophobicContact CZ-CD2 3.29Å; F122-T249 VanDerWaalsContact CE1-CB 3.42Å; F122-T249 HydrophobicContact CE1-CG2 3.82Å; F122-T249 WeakPolarHBondContact CE1-OG1 3.28Å; F122-T249 WeakPolarHBondContact CZ-OG1 3.49Å; F122-M250 HydrophobicContact CE2-CB 4.45Å; F122-M250 HydrophobicContact CZ-CB 4.14Å
123L95.3Very high94.8Very high1 Ų119.2 Ų19.21%0.00510%0.095CC..Hα-helixtrans-61.4-43.5175.5172.364.9000111.3L13 V38 L92 T95 L119 L120 I121 M126 L127L13-L123 HydrophobicContact CD1-CD2 4.07Å; L13-L123 HydrophobicContact CD1-CG 4.28Å; L13-L123 HydrophobicContact CD2-CD2 4.11Å; V38-L123 HydrophobicContact CG1-CD2 4.39Å; V38-L123 HydrophobicContact CG2-CD2 4.19Å; L92-L123 HydrophobicContact CD2-CD1 4.2Å; L92-L123 HydrophobicContact CD2-CD2 3.86Å; L92-L123 HydrophobicContact CD2-CG 4.46Å; T95-L123 HydrophobicContact CG2-CD1 3.8Å; L119-L123 PolarHBondContact O-N 2.95Å; L120-L123 HydrophobicContact CD1-CD2 4.4Å; L120-L123 WeakPolarHBondContact O-CB 3.49Å; L120-L123 PolarHBondContact O-N 3.42Å; L120-L123 VanDerWaalsContact O-N 3.16Å; I121-L123 VanDerWaalsContact C-N 3.34Å; I121-L123 PolarHBondContact O-N 2.81Å; L123-M126 PolarHBondContact O-N 3.41Å; L123-L127 HydrophobicContact CD1-CD1 4.03Å; L123-L127 HydrophobicContact CD1-CG 4.16Å; L123-L127 HydrophobicContact CG-CD1 4.04Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.25Å
124I95.6Very high94.9Very high31 Ų3116.4 Ų16.416%0.1598%0.08CC..Hα-helixtrans-64.1-45.7179.4-67.6170.8000111.1L13 I17 L120 I121 F122 M126 L127 I128L13-I124 HydrophobicContact CB-CD1 4.01Å; L13-I124 HydrophobicContact CB-CG1 3.87Å; L13-I124 HydrophobicContact CD1-CG1 4.21Å; I17-I124 HydrophobicContact CD1-CD1 3.27Å; L120-I124 HydrophobicContact CG-CD1 4.34Å; L120-I124 WeakPolarHBondContact O-CG1 3.46Å; L120-I124 PolarHBondContact O-N 2.97Å; I121-I124 PolarHBondContact O-N 3.48Å; F122-I124 VanDerWaalsContact C-N 3.34Å; F122-I124 PolarHBondContact O-N 3.08Å; I124-M126 VanDerWaalsContact C-N 3.28Å; I124-M126 PolarHBondContact O-N 2.87Å; I124-L127 PolarHBondContact O-N 2.89Å; I124-I128 HydrophobicContact CG2-CD1 3.83Å; I124-I128 HydrophobicContact CG2-CG1 4.4Å; I124-I128 VanDerWaalsContact O-CG1 3.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.16Å; I124-I128 PolarHBondContact O-N 2.97Å
125T95.9Very high95Very high19 Ų1912.8 Ų12.812%0.1176%0.063CC..Hα-helixtrans-63.6-35.9178.655.70000111.8I121 F122 I128 L129 G141I121-T125 HydrophobicContact CG2-CG2 4.4Å; I121-T125 WeakPolarHBondContact O-CG2 3.49Å; I121-T125 PolarHBondContact O-N 2.84Å; I121-T125 PolarHBondContact O-OG1 3.35Å; F122-T125 PolarHBondContact O-N 3.41Å; F122-T125 PolarHBondContact O-OG1 2.93Å; T125-I128 PolarHBondContact O-N 3.47Å; T125-L129 PolarHBondContact O-N 2.85Å; T125-G141 WeakPolarHBondContact O-CA 3.46Å
126M95.5Very high95Very high1 Ų115.7 Ų15.71%0.0058%0.076CC..Hα-helixtrans-67.1-42173.7-173.361.6-166.200112.4F87 F122 L123 I124 I128 L129 V130 V145 T249 A253F87-M126 HydrophobicContact CE1-CE 3.75Å; F87-M126 HydrophobicContact CE1-CG 4.29Å; F87-M126 HydrophobicContact CZ-CE 3.53Å; F122-M126 WeakPolarHBondContact O-CB 3.35Å; F122-M126 PolarHBondContact O-N 3.14Å; L123-M126 PolarHBondContact O-N 3.41Å; I124-M126 VanDerWaalsContact C-N 3.28Å; I124-M126 PolarHBondContact O-N 2.87Å; M126-I128 VanDerWaalsContact C-N 3.33Å; M126-I128 PolarHBondContact O-N 3.17Å; M126-L129 WeakPolarHBondContact O-CB 3.33Å; M126-L129 PolarHBondContact O-N 2.89Å; M126-V130 HydrophobicContact CE-CG2 3.59Å; M126-V130 VanDerWaalsContact O-CG2 3.31Å; M126-V130 WeakPolarHBondContact O-CG2 3.21Å; M126-V130 PolarHBondContact O-N 2.7Å; M126-V130 HydrophobicContact SD-CG2 4.5Å; M126-V145 HydrophobicContact CB-CG2 4.13Å; M126-V145 HydrophobicContact SD-CG2 4.23Å; M126-T249 HydrophobicContact CB-CG2 4.45Å; M126-T249 WeakPolarHBondContact CE-O 3.4Å; M126-T249 HydrophobicContact CG-CG2 3.86Å; M126-A253 HydrophobicContact CE-CB 4.47Å
127L95.1Very high95.1Very high4 Ų416.4 Ų16.42%0.0218%0.079CC..Hα-helixtrans-65.7-37176.2-69.7170.7000111.8L10 L13 I88 L92 L123 I124 V130 T131L10-L127 HydrophobicContact CD2-CB 4.16Å; L13-L127 HydrophobicContact CD1-CD1 3.26Å; I88-L127 HydrophobicContact CB-CD2 4.27Å; I88-L127 HydrophobicContact CG1-CD2 3.88Å; I88-L127 HydrophobicContact CG2-CD2 4.05Å; L92-L127 HydrophobicContact CD2-CD1 4.28Å; L123-L127 HydrophobicContact CD1-CD1 4.03Å; L123-L127 HydrophobicContact CD1-CG 4.16Å; L123-L127 HydrophobicContact CG-CD1 4.04Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.25Å; I124-L127 PolarHBondContact O-N 2.89Å; L127-V130 PolarHBondContact O-N 2.98Å; L127-T131 WeakPolarHBondContact O-CB 3.47Å; L127-T131 WeakPolarHBondContact O-CG2 3.16Å; L127-T131 PolarHBondContact O-N 3.48Å; L127-T131 PolarHBondContact O-OG1 2.89Å
128I95.4Very high95.2Very high47 Ų4713.6 Ų13.624%0.2417%0.067CC..Hα-helixtrans-60.6-45.5172-69166.6000110.4I124 T125 M126 V130 T131 A132 Q137I124-I128 HydrophobicContact CG2-CD1 3.83Å; I124-I128 HydrophobicContact CG2-CG1 4.4Å; I124-I128 VanDerWaalsContact O-CG1 3.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.16Å; I124-I128 PolarHBondContact O-N 2.97Å; T125-I128 PolarHBondContact O-N 3.47Å; M126-I128 VanDerWaalsContact C-N 3.33Å; M126-I128 PolarHBondContact O-N 3.17Å; I128-V130 PolarHBondContact O-N 3.12Å; I128-T131 PolarHBondContact O-N 3.24Å; I128-A132 VanDerWaalsContact O-CB 3.3Å; I128-A132 WeakPolarHBondContact O-CB 3.43Å; I128-A132 PolarHBondContact O-N 2.92Å; I128-Q137 HydrophobicContact CG2-CG 3.91Å
129L95.9Very high95.2Very high1 Ų113.5 Ų13.51%0.0057%0.068CC..Hα-helixtrans-59-47178.2-172.1160.1000111.6T125 M126 L138 W142 A253 F256T125-L129 PolarHBondContact O-N 2.85Å; M126-L129 WeakPolarHBondContact O-CB 3.33Å; M126-L129 PolarHBondContact O-N 2.89Å; L129-L138 HydrophobicContact CG-CD2 4.43Å; L129-L138 HydrophobicContact CG-CG 4.41Å; L129-W142 HydrophobicContact CD1-CB 4.3Å; L129-W142 HydrophobicContact CD1-CE3 4.26Å; L129-A253 HydrophobicContact CD1-CB 3.77Å; L129-A253 HydrophobicContact CD2-CB 4.26Å; L129-F256 HydrophobicContact CD2-CD1 3.95Å; L129-F256 HydrophobicContact CD2-CE1 4.37Å
130V95.7Very high95.3Very high0 Ų017.4 Ų17.40%09%0.088CC..Hα-helixtrans-70.7-35.3-174.7169.50000112.4F87 M126 L127 I128 F256 R260F87-V130 HydrophobicContact CB-CG1 4.08Å; F87-V130 HydrophobicContact CD1-CB 4.13Å; F87-V130 HydrophobicContact CD1-CG1 3.7Å; F87-V130 HydrophobicContact CD1-CG2 3.51Å; F87-V130 HydrophobicContact CE1-CB 4.49Å; F87-V130 HydrophobicContact CE1-CG2 3.48Å; F87-V130 VanDerWaalsContact CE1-CG2 3.48Å; F87-V130 HydrophobicContact CG-CG1 4.18Å; F87-V130 HydrophobicContact CG-CG2 4.35Å; F87-V130 HydrophobicContact CZ-CG2 4.29Å; M126-V130 HydrophobicContact CE-CG2 3.59Å; M126-V130 VanDerWaalsContact O-CG2 3.31Å; M126-V130 WeakPolarHBondContact O-CG2 3.21Å; M126-V130 PolarHBondContact O-N 2.7Å; M126-V130 HydrophobicContact SD-CG2 4.5Å; L127-V130 PolarHBondContact O-N 2.98Å; I128-V130 PolarHBondContact O-N 3.12Å; V130-F256 HydrophobicContact CB-CE1 4.31Å; V130-F256 HydrophobicContact CB-CZ 4.08Å; V130-F256 HydrophobicContact CG1-CE1 4.4Å; V130-F256 HydrophobicContact CG1-CE2 4.1Å; V130-F256 HydrophobicContact CG1-CZ 3.68Å; V130-F256 HydrophobicContact CG2-CE1 4.3Å; V130-F256 HydrophobicContact CG2-CZ 4.22Å; V130-F256 WeakPolarHBondContact O-CZ 3.34Å; V130-R260 PolarHBondContact O-NH2 3.1Å
131T94.9Very high95.4Very high0 Ų017.4 Ų17.40%09%0.088CC..Hα-helixtrans-91.4-7.8-178.456.20000113.3L10 F78 K79 L80 I88 L127 I128 N133L10-T131 HydrophobicContact CD2-CG2 4.43Å; F78-T131 CarbonylContact C-O 3.55Å; F78-T131 VanDerWaalsContact CA-O 3.23Å; F78-T131 WeakPolarHBondContact CA-O 3.43Å; F78-T131 VanDerWaalsContact CD1-OG1 3.3Å; F78-T131 WeakPolarHBondContact CD1-OG1 3.29Å; K79-T131 PolarHBondContact N-O 3.23Å; L80-T131 HydrophobicContact CD2-CG2 4.42Å; I88-T131 HydrophobicContact CD1-CG2 3.66Å; I88-T131 HydrophobicContact CG1-CG2 4.32Å; L127-T131 WeakPolarHBondContact O-CB 3.47Å; L127-T131 WeakPolarHBondContact O-CG2 3.16Å; L127-T131 PolarHBondContact O-N 3.48Å; L127-T131 PolarHBondContact O-OG1 2.89Å; I128-T131 PolarHBondContact O-N 3.24Å; T131-N133 PolarHBondContact O-N 2.84Å
132A94.9Very high95.4Very high6 Ų615.7 Ų15.75%0.058%0.079CC..BIsolated β-bridgetrans-60.1127.5-178.600000111.3I128 Q137 L138I128-A132 VanDerWaalsContact O-CB 3.3Å; I128-A132 WeakPolarHBondContact O-CB 3.43Å; I128-A132 PolarHBondContact O-N 2.92Å; A132-Q137 HydrophobicContact CB-CB 3.97Å; A132-Q137 HydrophobicContact CB-CG 3.79Å; A132-L138 HydrophobicContact CB-CB 3.84Å; A132-L138 HydrophobicContact CB-CG 4.41Å
133N93.8Very high95.5Very high7 Ų716.8 Ų16.84%0.0378%0.084CC..  trans-83.9-50.3163.8-168.550000110.6S77 K79 T131 P196 Q197S77-N133 WeakPolarHBondContact O-CB 3.02Å; S77-N133 PolarHBondContact O-N 3.39Å; S77-N133 WeakPolarHBondContact OG-CB 3.29Å; K79-N133 HydrophobicContact CB-CB 3.88Å; T131-N133 PolarHBondContact O-N 2.84Å; N133-P196 WeakPolarHBondContact O-CD 3.35Å; N133-P196 WeakPolarHBondContact O-CG 3.2Å; N133-Q197 PolarHBondContact ND2-OE1 2.76Å; N133-Q197 PolarHBondContact OD1-NE2 3.31Å; N133-Q197 PolarHBondContact OD1-OE1 3.03Å; N133-Q197 VanDerWaalsContact OD1-OE1 3.1Å
134N93.6Very high95.5Very high6 Ų617.4 Ų17.43%0.0329%0.09CC..SBendtrans-79.4137.6-174.2-61.54.4000110.8S75 S77 F136 Q137 L138 D195S75-N134 PolarHBondContact O-ND2 3.04Å; S77-N134 PolarHBondContact OG-ND2 3.46Å; S77-N134 VanDerWaalsContact OG-ND2 3.12Å; S77-N134 PolarHBondContact OG-OD1 3.12Å; N134-F136 PolarHBondContact O-N 3.29Å; N134-Q137 HydrophobicContact CB-CB 4.43Å; N134-Q137 PolarHBondContact O-N 3.46Å; N134-L138 PolarHBondContact O-N 2.65Å; N134-D195 VanDerWaalsContact CG-OD1 3.23Å; N134-D195 PolarHBondContact OD1-OD1 3.31Å
135L93.6Very high95.5Very high1 Ų116 Ų161%0.0058%0.083CC..Hα-helixtrans-55.8-34.1176.9-85.8173.5000113.4L138 F139 F180 L184 F187 W194 M199 F261L135-L138 WeakPolarHBondContact O-CB 3.36Å; L135-L138 PolarHBondContact O-N 3.31Å; L135-F139 PolarHBondContact O-N 3.28Å; L135-F180 HydrophobicContact CD2-CE1 4.33Å; L135-F180 HydrophobicContact CD2-CZ 4.12Å; L135-L184 HydrophobicContact CB-CD2 3.52Å; L135-L184 HydrophobicContact CD1-CD2 4.21Å; L135-L184 HydrophobicContact CG-CD2 4.44Å; L135-F187 HydrophobicContact CD1-CD2 3.55Å; L135-F187 HydrophobicContact CD1-CE2 4.07Å; L135-F187 HydrophobicContact CD1-CG 4.35Å; L135-W194 HydrophobicContact CB-CB 4.12Å; L135-W194 HydrophobicContact CB-CG 4.46Å; L135-W194 PolarHBondContact N-O 2.91Å; L135-M199 HydrophobicContact CD1-CE 3.6Å; L135-M199 HydrophobicContact CD1-SD 3.78Å; L135-M199 HydrophobicContact CG-CE 4.04Å; L135-F261 HydrophobicContact CD1-CZ 4.28Å; L135-F261 HydrophobicContact CD2-CE1 4.36Å; L135-F261 HydrophobicContact CD2-CE2 3.59Å; L135-F261 HydrophobicContact CD2-CZ 3.25Å; L135-F261 HydrophobicContact CG-CZ 3.83Å
136F94.7Very high95.5Very high61 Ų6115.4 Ų15.427%0.2688%0.081SC..Hα-helixtrans-65.3-43175.8-179.2-102.9000112.4W66 N134 L138 F139 I140 W194W66-F136 HydrophobicContact CE3-CE1 4.02Å; W66-F136 AromaticContact CH2-CE1 3.61Å; W66-F136 HydrophobicContact CH2-CE1 3.61Å; W66-F136 AromaticContact CH2-CZ 3.74Å; W66-F136 HydrophobicContact CH2-CZ 3.74Å; W66-F136 AromaticContact CZ3-CD1 3.96Å; W66-F136 HydrophobicContact CZ3-CD1 3.96Å; W66-F136 AromaticContact CZ3-CE1 3.18Å; W66-F136 HydrophobicContact CZ3-CE1 3.18Å; W66-F136 AromaticContact CZ3-CZ 3.66Å; W66-F136 HydrophobicContact CZ3-CZ 3.66Å; N134-F136 PolarHBondContact O-N 3.29Å; F136-L138 VanDerWaalsContact C-N 3.31Å; F136-L138 PolarHBondContact O-N 2.93Å; F136-F139 WeakPolarHBondContact O-CB 3.34Å; F136-F139 PolarHBondContact O-N 3.19Å; F136-I140 HydrophobicContact CD1-CD1 3.94Å; F136-I140 HydrophobicContact CE1-CD1 3.51Å; F136-I140 HydrophobicContact CE1-CG1 4.24Å; F136-I140 HydrophobicContact CZ-CD1 4.1Å; F136-I140 HydrophobicContact CZ-CG1 4.43Å; F136-I140 WeakPolarHBondContact O-CG1 3.41Å; F136-I140 PolarHBondContact O-N 3.39Å; F136-W194 HydrophobicContact CB-CE3 3.68Å; F136-W194 HydrophobicContact CB-CZ3 3.85Å; F136-W194 HydrophobicContact CD2-CZ3 4.22Å; F136-W194 HydrophobicContact CG-CE3 4.47Å; F136-W194 HydrophobicContact CG-CZ3 4.15Å
137Q95.8Very high95.5Very high14 Ų1419.1 Ų19.17%0.06510%0.1CC..Hα-helixtrans-65.6-37.5174.7-177.5178.2-21.300111.2S77 I128 A132 N134 F139 I140 G141S77-Q137 VanDerWaalsContact N-OE1 3.16Å; S77-Q137 PolarHBondContact O-OE1 3.49Å; S77-Q137 VanDerWaalsContact O-OE1 3.05Å; I128-Q137 HydrophobicContact CG2-CG 3.91Å; A132-Q137 HydrophobicContact CB-CB 3.97Å; A132-Q137 HydrophobicContact CB-CG 3.79Å; N134-Q137 HydrophobicContact CB-CB 4.43Å; N134-Q137 PolarHBondContact O-N 3.46Å; Q137-F139 VanDerWaalsContact C-N 3.31Å; Q137-F139 PolarHBondContact O-N 3.18Å; Q137-I140 PolarHBondContact O-N 3.06Å; Q137-G141 PolarHBondContact O-N 3.11Å; Q137-G141 VanDerWaalsContact O-N 3.11Å
138L96.1Very high95.5Very high6 Ų620.4 Ų20.43%0.03111%0.106CC..Hα-helixtrans-61.6-41.9173.7-161.2155.9000110.5L129 A132 N134 L135 F136 G141 W142 F180 L257L129-L138 HydrophobicContact CG-CD2 4.43Å; L129-L138 HydrophobicContact CG-CG 4.41Å; A132-L138 HydrophobicContact CB-CB 3.84Å; A132-L138 HydrophobicContact CB-CG 4.41Å; N134-L138 PolarHBondContact O-N 2.65Å; L135-L138 WeakPolarHBondContact O-CB 3.36Å; L135-L138 PolarHBondContact O-N 3.31Å; F136-L138 VanDerWaalsContact C-N 3.31Å; F136-L138 PolarHBondContact O-N 2.93Å; L138-G141 PolarHBondContact O-N 3.35Å; L138-W142 HydrophobicContact CD2-CE3 4.41Å; L138-W142 VanDerWaalsContact O-CB 3.28Å; L138-W142 WeakPolarHBondContact O-CB 3.35Å; L138-W142 PolarHBondContact O-N 3.08Å; L138-F180 HydrophobicContact CB-CZ 4.38Å; L138-F180 HydrophobicContact CD2-CE2 3.4Å; L138-F180 HydrophobicContact CD2-CZ 3.52Å; L138-L257 HydrophobicContact CD2-CD1 4.09Å
139F96.8Very high95.4Very high38 Ų3818.1 Ų18.117%0.1679%0.094CC..Hα-helixtrans-63.6-39175.4-171.1-107.6000112.9L135 F136 Q137 G141 W142 E143 D177 F180 I181 L184L135-F139 PolarHBondContact O-N 3.28Å; F136-F139 WeakPolarHBondContact O-CB 3.34Å; F136-F139 PolarHBondContact O-N 3.19Å; Q137-F139 VanDerWaalsContact C-N 3.31Å; Q137-F139 PolarHBondContact O-N 3.18Å; F139-G141 VanDerWaalsContact C-N 3.34Å; F139-G141 PolarHBondContact O-N 3.15Å; F139-W142 WeakPolarHBondContact O-CB 3.25Å; F139-W142 PolarHBondContact O-N 3.23Å; F139-E143 HydrophobicContact CD1-CG 4.24Å; F139-E143 HydrophobicContact CE1-CG 3.76Å; F139-E143 HydrophobicContact CE2-CG 4.06Å; F139-E143 HydrophobicContact CZ-CG 3.65Å; F139-E143 WeakPolarHBondContact CZ-OE1 3.13Å; F139-E143 PolarHBondContact O-N 3.03Å; F139-D177 HydrophobicContact CE2-CB 4.47Å; F139-F180 HydrophobicContact CB-CD1 4.38Å; F139-F180 HydrophobicContact CB-CE1 3.73Å; F139-F180 HydrophobicContact CB-CZ 4.04Å; F139-F180 AromaticContact CD2-CD1 3.55Å; F139-F180 HydrophobicContact CD2-CD1 3.55Å; F139-F180 AromaticContact CD2-CE1 3.77Å; F139-F180 HydrophobicContact CD2-CE1 3.77Å; F139-F180 AromaticContact CD2-CG 3.99Å; F139-F180 HydrophobicContact CD2-CG 3.99Å; F139-F180 HydrophobicContact CD2-CZ 4.32Å; F139-F180 HydrophobicContact CE2-CD1 4.28Å; F139-F180 HydrophobicContact CE2-CG 4.5Å; F139-F180 HydrophobicContact CG-CD1 4.32Å; F139-F180 HydrophobicContact CG-CE1 4.16Å; F139-I181 HydrophobicContact CE2-CD1 4.47Å; F139-I181 HydrophobicContact CE2-CG1 4.12Å; F139-I181 HydrophobicContact CZ-CD1 4.15Å; F139-I181 HydrophobicContact CZ-CG1 4.15Å; F139-L184 HydrophobicContact CB-CD1 4.39Å; F139-L184 HydrophobicContact CD2-CD1 4.47Å; F139-L184 HydrophobicContact CG-CD1 4.32Å
140I96.8Very high95.4Very high85 Ų8520.9 Ų20.944%0.43611%0.106SC..Hα-helixtrans-58.6-47.5172.9-68.7168000110.6F136 Q137 W142 G144F136-I140 HydrophobicContact CD1-CD1 3.94Å; F136-I140 HydrophobicContact CE1-CD1 3.51Å; F136-I140 HydrophobicContact CE1-CG1 4.24Å; F136-I140 HydrophobicContact CZ-CD1 4.1Å; F136-I140 HydrophobicContact CZ-CG1 4.43Å; F136-I140 WeakPolarHBondContact O-CG1 3.41Å; F136-I140 PolarHBondContact O-N 3.39Å; Q137-I140 PolarHBondContact O-N 3.06Å; I140-W142 VanDerWaalsContact C-N 3.34Å; I140-G144 PolarHBondContact O-N 3.43Å
141G96.6Very high95.4Very high0 Ų023.3 Ų23.30%012%0.119CC..Hα-helixtrans-62.4-41.7175.600000112.4T125 Q137 L138 F139 G144 V145T125-G141 WeakPolarHBondContact O-CA 3.46Å; Q137-G141 PolarHBondContact O-N 3.11Å; Q137-G141 VanDerWaalsContact O-N 3.11Å; L138-G141 PolarHBondContact O-N 3.35Å; F139-G141 VanDerWaalsContact C-N 3.34Å; F139-G141 PolarHBondContact O-N 3.15Å; G141-G144 PolarHBondContact O-N 3.2Å; G141-V145 WeakPolarHBondContact O-CB 3.46Å; G141-V145 VanDerWaalsContact O-CG2 3.27Å; G141-V145 WeakPolarHBondContact O-CG2 3.38Å; G141-V145 PolarHBondContact O-N 3.46Å
142W96.1Very high95.5Very high2 Ų223.4 Ų23.41%0.00812%0.12CC..Hα-helixtrans-60.1-47.3-179.3-177-88.6000113.3L129 L138 F139 I140 G146 D177 F180 A217 K221 A253 L257L129-W142 HydrophobicContact CD1-CB 4.3Å; L129-W142 HydrophobicContact CD1-CE3 4.26Å; L138-W142 HydrophobicContact CD2-CE3 4.41Å; L138-W142 VanDerWaalsContact O-CB 3.28Å; L138-W142 WeakPolarHBondContact O-CB 3.35Å; L138-W142 PolarHBondContact O-N 3.08Å; F139-W142 WeakPolarHBondContact O-CB 3.25Å; F139-W142 PolarHBondContact O-N 3.23Å; I140-W142 VanDerWaalsContact C-N 3.34Å; W142-G146 PolarHBondContact O-N 3.19Å; W142-D177 VanDerWaalsContact CD1-OD1 3.24Å; W142-D177 PolarHBondContact NE1-OD1 3.3Å; W142-F180 HydrophobicContact CD2-CD2 4.09Å; W142-F180 HydrophobicContact CD2-CE2 4.19Å; W142-F180 HydrophobicContact CE3-CD2 4.37Å; W142-F180 HydrophobicContact CE3-CE2 4.22Å; W142-F180 HydrophobicContact CG-CD2 4.44Å; W142-F180 HydrophobicContact CG-CE2 4.43Å; W142-F180 HydrophobicContact CZ2-CD2 4.34Å; W142-A217 HydrophobicContact CH2-CB 4.04Å; W142-A217 WeakPolarHBondContact CH2-O 3.36Å; W142-A217 HydrophobicContact CZ2-CB 3.82Å; W142-A217 WeakPolarHBondContact CZ2-O 3.3Å; W142-K221 HydrophobicContact CD2-CG 4.06Å; W142-K221 VanDerWaalsContact CE2-CG 3.43Å; W142-K221 HydrophobicContact CE3-CG 4.3Å; W142-K221 HydrophobicContact CH2-CB 3.75Å; W142-K221 HydrophobicContact CH2-CG 3.39Å; W142-K221 HydrophobicContact CZ2-CB 3.91Å; W142-K221 HydrophobicContact CZ2-CD 4.22Å; W142-K221 HydrophobicContact CZ2-CG 3.08Å; W142-K221 HydrophobicContact CZ3-CB 4.36Å; W142-K221 HydrophobicContact CZ3-CG 3.99Å; W142-K221 VanDerWaalsContact NE1-CE 3.26Å; W142-K221 PolarHBondContact O-NZ 3.46Å; W142-A253 HydrophobicContact CZ3-CB 4.42Å; W142-L257 HydrophobicContact CE3-CD1 4.25Å; W142-L257 HydrophobicContact CH2-CD1 4.13Å; W142-L257 HydrophobicContact CZ3-CB 4.23Å; W142-L257 HydrophobicContact CZ3-CD1 3.74Å
143E96.8Very high95.6Very high23 Ų2323.2 Ų23.211%0.10712%0.118CC..Hα-helixtrans-69.2-44.1174-74.4-64.4157.700111.9F139 V145 G146 I147 R174 D177F139-E143 HydrophobicContact CD1-CG 4.24Å; F139-E143 HydrophobicContact CE1-CG 3.76Å; F139-E143 HydrophobicContact CE2-CG 4.06Å; F139-E143 HydrophobicContact CZ-CG 3.65Å; F139-E143 WeakPolarHBondContact CZ-OE1 3.13Å; F139-E143 PolarHBondContact O-N 3.03Å; E143-V145 VanDerWaalsContact C-N 3.32Å; E143-V145 PolarHBondContact O-N 3.22Å; E143-G146 CarbonylContact O-C 3.52Å; E143-G146 WeakPolarHBondContact O-CA 3.42Å; E143-G146 PolarHBondContact O-N 3.3Å; E143-I147 WeakPolarHBondContact O-CG1 3.39Å; E143-I147 PolarHBondContact O-N 3.19Å; E143-R174 IonicContact OE1-CZ 2.76Å; E143-R174 IonicContact OE1-NH1 2.67Å; E143-R174 PolarHBondContact OE1-NH1 3.44Å; E143-R174 IonicContact OE1-NH2 3.18Å; E143-R174 IonicContact OE2-CZ 3.72Å; E143-R174 IonicContact OE2-NH1 3.88Å; E143-R174 PolarHBondContact OE2-NH1 3.09Å; E143-R174 IonicContact OE2-NH2 3.07Å; E143-R174 PolarHBondContact OE2-NH2 3.4Å; E143-D177 VanDerWaalsContact OE1-CG 3.23Å
144G96.3Very high95.7Very high13 Ų1323.9 Ų23.913%0.13412%0.123CC..Hα-helixtrans-57.7-44.4179.200000112.3I140 G141 G146 M148I140-G144 PolarHBondContact O-N 3.43Å; G141-G144 PolarHBondContact O-N 3.2Å; G144-G146 VanDerWaalsContact C-N 3.33Å; G144-G146 PolarHBondContact O-N 3.28Å; G144-M148 WeakPolarHBondContact O-CB 3.46Å; G144-M148 VanDerWaalsContact O-CG 3.24Å; G144-M148 WeakPolarHBondContact O-CG 2.99Å; G144-M148 PolarHBondContact O-N 3.05Å
145V95.7Very high95.8Very high1 Ų124.7 Ų24.71%0.00613%0.126CC..Hα-helixtrans-61.9-40.4172.4168.50000111F122 M126 G141 E143 S149 M250F122-V145 HydrophobicContact CE2-CB 4.27Å; F122-V145 HydrophobicContact CE2-CG1 3.63Å; F122-V145 HydrophobicContact CE2-CG2 4.46Å; F122-V145 HydrophobicContact CZ-CG1 3.86Å; M126-V145 HydrophobicContact CB-CG2 4.13Å; M126-V145 HydrophobicContact SD-CG2 4.23Å; G141-V145 WeakPolarHBondContact O-CB 3.46Å; G141-V145 VanDerWaalsContact O-CG2 3.27Å; G141-V145 WeakPolarHBondContact O-CG2 3.38Å; G141-V145 PolarHBondContact O-N 3.46Å; E143-V145 VanDerWaalsContact C-N 3.32Å; E143-V145 PolarHBondContact O-N 3.22Å; V145-S149 WeakPolarHBondContact O-CB 3.32Å; V145-S149 PolarHBondContact O-N 3.06Å; V145-M250 HydrophobicContact CG1-CB 3.76Å; V145-M250 HydrophobicContact CG1-CG 3.81Å
146G95.1Very high95.8Very high7 Ų728.2 Ų28.27%0.07214%0.139CC..Hα-helixtrans-62.5-49.6177.200000113.6W142 E143 G144 S149 F150W142-G146 PolarHBondContact O-N 3.19Å; E143-G146 CarbonylContact O-C 3.52Å; E143-G146 WeakPolarHBondContact O-CA 3.42Å; E143-G146 PolarHBondContact O-N 3.3Å; G144-G146 VanDerWaalsContact C-N 3.33Å; G144-G146 PolarHBondContact O-N 3.28Å; G146-S149 PolarHBondContact O-N 2.81Å; G146-S149 PolarHBondContact O-OG 3.49Å; G146-F150 PolarHBondContact O-N 3.02Å; G146-F150 VanDerWaalsContact O-N 3.16Å
147I95.4Very high95.8Very high80 Ų8033.8 Ų33.841%0.4116%0.159SC..Hα-helixtrans-67.6-42.1-178.8-63.8165.7000110.8E143 S149 F150 L151E143-I147 WeakPolarHBondContact O-CG1 3.39Å; E143-I147 PolarHBondContact O-N 3.19Å; I147-S149 VanDerWaalsContact C-N 3.29Å; I147-S149 PolarHBondContact O-N 3.33Å; I147-F150 WeakPolarHBondContact O-CB 3.46Å; I147-F150 PolarHBondContact O-N 3.1Å; I147-L151 PolarHBondContact O-N 3.42Å
148M95.5Very high95.7Very high30 Ų3037.6 Ų37.615%0.14819%0.193CC..Hα-helixtrans-65.6-34.9176.9-67.8-59.3132.900111.7I121 F122 G144 F150 L151 L152I121-M148 HydrophobicContact CB-SD 4Å; I121-M148 HydrophobicContact CG2-CE 3.72Å; I121-M148 HydrophobicContact CG2-CG 3.89Å; I121-M148 HydrophobicContact CG2-SD 3.57Å; I121-M148 VanDerWaalsContact CG2-SD 3.57Å; F122-M148 HydrophobicContact CB-CB 3.97Å; F122-M148 HydrophobicContact CB-CG 4.4Å; F122-M148 HydrophobicContact CD2-CB 3.7Å; F122-M148 HydrophobicContact CG-CB 4.33Å; G144-M148 WeakPolarHBondContact O-CB 3.46Å; G144-M148 VanDerWaalsContact O-CG 3.24Å; G144-M148 WeakPolarHBondContact O-CG 2.99Å; G144-M148 PolarHBondContact O-N 3.05Å; M148-F150 VanDerWaalsContact C-N 3.33Å; M148-F150 PolarHBondContact O-N 3.14Å; M148-L151 HydrophobicContact CE-CD1 4.26Å; M148-L151 PolarHBondContact O-N 2.9Å; M148-L151 HydrophobicContact SD-CD1 4.24Å; M148-L152 WeakPolarHBondContact O-CB 3.41Å; M148-L152 VanDerWaalsContact O-CG 3.29Å; M148-L152 WeakPolarHBondContact O-CG 3.34Å; M148-L152 PolarHBondContact O-N 3.02Å
149S94.3Very high95.6Very high0 Ų043.6 Ų43.60%022%0.215CC..Hα-helixtrans-62-40173.477.20000112.3V145 G146 I147 L152 I153 M250V145-S149 WeakPolarHBondContact O-CB 3.32Å; V145-S149 PolarHBondContact O-N 3.06Å; G146-S149 PolarHBondContact O-N 2.81Å; G146-S149 PolarHBondContact O-OG 3.49Å; I147-S149 VanDerWaalsContact C-N 3.29Å; I147-S149 PolarHBondContact O-N 3.33Å; S149-L152 PolarHBondContact O-N 3.42Å; S149-I153 WeakPolarHBondContact O-CB 3.02Å; S149-I153 WeakPolarHBondContact O-CD1 2.93Å; S149-I153 WeakPolarHBondContact O-CG1 3.35Å; S149-I153 PolarHBondContact O-N 3.3Å; S149-M250 WeakPolarHBondContact CB-SD 3.15Å; S149-M250 WeakPolarHBondContact OG-CE 3.42Å
150F95.3Very high95.6Very high58 Ų5845 Ų4525%0.25423%0.234SC..Hα-helixtrans-59.7-49.7175.9169-100.3000111.9G146 I147 M148 L152 I153 S154 A166 I167 I170G146-F150 PolarHBondContact O-N 3.02Å; G146-F150 VanDerWaalsContact O-N 3.16Å; I147-F150 WeakPolarHBondContact O-CB 3.46Å; I147-F150 PolarHBondContact O-N 3.1Å; M148-F150 VanDerWaalsContact C-N 3.33Å; M148-F150 PolarHBondContact O-N 3.14Å; F150-L152 VanDerWaalsContact C-N 3.3Å; F150-L152 PolarHBondContact O-N 3.28Å; F150-I153 PolarHBondContact O-N 3.09Å; F150-S154 WeakPolarHBondContact O-CB 3.36Å; F150-S154 PolarHBondContact O-N 3.18Å; F150-A166 HydrophobicContact CD2-CB 3.45Å; F150-A166 VanDerWaalsContact CD2-CB 3.45Å; F150-A166 HydrophobicContact CE2-CB 3.69Å; F150-A166 HydrophobicContact CG-CB 4.34Å; F150-I167 HydrophobicContact CE2-CG1 4.21Å; F150-I170 HydrophobicContact CB-CD1 3.63Å; F150-I170 HydrophobicContact CB-CG1 3.82Å; F150-I170 HydrophobicContact CD1-CD1 4.06Å; F150-I170 HydrophobicContact CD2-CD1 3.17Å; F150-I170 HydrophobicContact CD2-CG1 3.74Å; F150-I170 HydrophobicContact CE2-CD1 3.77Å; F150-I170 HydrophobicContact CG-CD1 3.35Å; F150-I170 HydrophobicContact CG-CG1 4.01Å; F150-I170 HydrophobicContact CZ-CD1 4.42Å
151L96.3Very high95.5Very high52 Ų5246.1 Ų46.127%0.27224%0.241SC..Hα-helixtrans-63.9-35.3-180-66.2174.5000112.5Y118 I147 M148 S154 W155Y118-L151 HydrophobicContact CD2-CB 4.4Å; Y118-L151 HydrophobicContact CE2-CB 4.31Å; I147-L151 PolarHBondContact O-N 3.42Å; M148-L151 HydrophobicContact CE-CD1 4.26Å; M148-L151 PolarHBondContact O-N 2.9Å; M148-L151 HydrophobicContact SD-CD1 4.24Å; L151-S154 CarbonylContact O-C 3.58Å; L151-W155 PolarHBondContact O-N 3.07Å
152L96.1Very high95.4Very high2 Ų246.2 Ų46.21%0.0124%0.242CC..Hα-helixtrans-80-32.1-179.3-71.2173.3000113.1F115 Y118 F122 M148 S149 F150 V241F115-L152 HydrophobicContact CD2-CD2 4.36Å; F115-L152 HydrophobicContact CE2-CD2 4.24Å; Y118-L152 HydrophobicContact CD2-CD2 4.35Å; F122-L152 HydrophobicContact CB-CD1 4.31Å; F122-L152 HydrophobicContact CD2-CD1 4.43Å; F122-L152 HydrophobicContact CG-CD1 4.44Å; M148-L152 WeakPolarHBondContact O-CB 3.41Å; M148-L152 VanDerWaalsContact O-CG 3.29Å; M148-L152 WeakPolarHBondContact O-CG 3.34Å; M148-L152 PolarHBondContact O-N 3.02Å; S149-L152 PolarHBondContact O-N 3.42Å; F150-L152 VanDerWaalsContact C-N 3.3Å; F150-L152 PolarHBondContact O-N 3.28Å; L152-V241 HydrophobicContact CB-CB 4.41Å; L152-V241 HydrophobicContact CB-CG1 3.6Å; L152-V241 HydrophobicContact CB-CG2 3.87Å; L152-V241 HydrophobicContact CD1-CG1 4.44Å; L152-V241 HydrophobicContact CD1-CG2 4.4Å; L152-V241 HydrophobicContact CD2-CG2 3.91Å; L152-V241 HydrophobicContact CG-CG2 4.28Å
153I96.2Very high95.4Very high2 Ų248.5 Ų48.51%0.0125%0.254CS..Hα-helixtrans-70.1-45.5172.6-66.1163.5000109.6S149 F150 W155 A165 A166 A169 A234 L245S149-I153 WeakPolarHBondContact O-CB 3.02Å; S149-I153 WeakPolarHBondContact O-CD1 2.93Å; S149-I153 WeakPolarHBondContact O-CG1 3.35Å; S149-I153 PolarHBondContact O-N 3.3Å; F150-I153 PolarHBondContact O-N 3.09Å; I153-W155 PolarHBondContact O-N 3.2Å; I153-W155 VanDerWaalsContact O-N 3.11Å; I153-A165 HydrophobicContact CG2-CB 4.14Å; I153-A166 HydrophobicContact CB-CB 4.15Å; I153-A166 HydrophobicContact CG2-CB 3.96Å; I153-A169 HydrophobicContact CD1-CB 4.01Å; I153-A234 HydrophobicContact CD1-CB 3.76Å; I153-A234 HydrophobicContact CG1-CB 4.18Å; I153-L245 HydrophobicContact CG1-CD1 4.29Å
154S96Very high95.4Very high20 Ų2051.4 Ų51.414%0.1427%0.274CS..THydrogen-bonded Turntrans-83.235.5176-175.60000112.4F150 L151 Y157 N163F150-S154 WeakPolarHBondContact O-CB 3.36Å; F150-S154 PolarHBondContact O-N 3.18Å; L151-S154 CarbonylContact O-C 3.58Å; S154-Y157 PolarHBondContact O-N 3.42Å; S154-N163 PolarHBondContact OG-OD1 2.88Å
155W95.9Very high95.4Very high24 Ų2450.9 Ų50.99%0.09127%0.268CS..THydrogen-bonded Turntrans-61.7-49.3178.9-179.9-106.8000111.5D109 N111 Q114 F115 Y118 L151 I153 Y157 P238D109-W155 PolarHBondContact OD2-NE1 3.15Å; N111-W155 HydrophobicContact CB-CH2 4.15Å; N111-W155 HydrophobicContact CB-CZ2 4.04Å; N111-W155 WeakPolarHBondContact O-CH2 3.25Å; Q114-W155 HydrophobicContact CB-CH2 4.09Å; Q114-W155 HydrophobicContact CG-CH2 4.19Å; Q114-W155 HydrophobicContact CG-CZ3 4.21Å; F115-W155 HydrophobicContact CB-CH2 3.64Å; F115-W155 HydrophobicContact CB-CZ2 3.83Å; F115-W155 HydrophobicContact CB-CZ3 4.11Å; F115-W155 HydrophobicContact CD2-CD2 4.06Å; F115-W155 HydrophobicContact CD2-CE3 4.15Å; F115-W155 HydrophobicContact CD2-CH2 4.44Å; F115-W155 HydrophobicContact CD2-CZ2 4.34Å; F115-W155 HydrophobicContact CD2-CZ3 4.33Å; Y118-W155 HydrophobicContact CD2-CE3 4.3Å; Y118-W155 AromaticContact CD2-CZ3 3.85Å; Y118-W155 HydrophobicContact CD2-CZ3 3.85Å; Y118-W155 HydrophobicContact CE2-CE3 4.47Å; Y118-W155 AromaticContact CE2-CZ3 3.96Å; Y118-W155 HydrophobicContact CE2-CZ3 3.96Å; L151-W155 PolarHBondContact O-N 3.07Å; I153-W155 PolarHBondContact O-N 3.2Å; I153-W155 VanDerWaalsContact O-N 3.11Å; W155-Y157 VanDerWaalsContact C-N 3.29Å; W155-Y157 PolarHBondContact O-N 2.98Å; W155-Y157 VanDerWaalsContact O-N 3.14Å; W155-P238 HydrophobicContact CB-CG 4.36Å
156W94.6Very high95.4Very high74 Ų7450.9 Ų50.928%0.2827%0.268SS..THydrogen-bonded Turntrans-88.270.8171.9-61.2-53.9000110.3A158 R159 P238W156-A158 PolarHBondContact O-N 3.5Å; W156-R159 HydrophobicContact CB-CG 4.39Å; W156-R159 WeakPolarHBondContact O-CB 3.37Å; W156-R159 PolarHBondContact O-N 3.27Å; W156-P238 HydrophobicContact CH2-CB 3.98Å; W156-P238 HydrophobicContact CZ2-CB 4.48Å; W156-P238 HydrophobicContact CZ3-CB 4.35Å
157Y93.8Very high95.4Very high178 Ų17855.5 Ų55.570%0.69829%0.29SS*.THydrogen-bonded Turntrans-54.8-19-176.760.9-93.6000115S154 W155 R159 N163S154-Y157 PolarHBondContact O-N 3.42Å; W155-Y157 VanDerWaalsContact C-N 3.29Å; W155-Y157 PolarHBondContact O-N 2.98Å; W155-Y157 VanDerWaalsContact O-N 3.14Å; Y157-R159 VanDerWaalsContact C-N 3.28Å; Y157-R159 PolarHBondContact O-N 2.93Å; Y157-N163 PolarHBondContact O-ND2 2.86Å; Y157-N163 PolarHBondContact O-OD1 3.24Å
158A94.6Very high95.4Very high94 Ų9453.2 Ų53.278%0.77728%0.277SS*.THydrogen-bonded Turntrans-71.5-21.6174.600000113.1W156W156-A158 PolarHBondContact O-N 3.5Å
159R94.2Very high95.3Very high132 Ų13251.8 Ų51.850%0.49827%0.27SS..  trans-82.9117.3177.1-66.4-173.7-179.1-174.51.7110W156 Y157 D161 A162 N163W156-R159 HydrophobicContact CB-CG 4.39Å; W156-R159 WeakPolarHBondContact O-CB 3.37Å; W156-R159 PolarHBondContact O-N 3.27Å; Y157-R159 VanDerWaalsContact C-N 3.28Å; Y157-R159 PolarHBondContact O-N 2.93Å; R159-D161 VanDerWaalsContact C-N 3.28Å; R159-D161 PolarHBondContact O-N 3.27Å; R159-A162 HydrophobicContact CB-CB 4.05Å; R159-A162 PolarHBondContact O-N 3.5Å; R159-N163 PolarHBondContact O-N 3.11Å
160A96.2Very high95.4Very high68 Ų6854.3 Ų54.356%0.56228%0.283SS*.Hα-helixtrans-57.3-41.5178.200000112.1A162 N163 T164A160-A162 VanDerWaalsContact C-N 3.32Å; A160-A162 PolarHBondContact O-N 3.42Å; A160-N163 PolarHBondContact O-N 3.31Å; A160-N163 VanDerWaalsContact O-N 3.14Å; A160-T164 WeakPolarHBondContact O-CG2 3.46Å; A160-T164 PolarHBondContact O-N 3.34Å; A160-T164 PolarHBondContact O-OG1 3.26Å
161D94.8Very high95.4Very high108 Ų10856.2 Ų56.258%0.57830%0.296SS*.Hα-helixtrans-64.6-33.4-179.6-61.2-36.9000113.1R159 T164 A165 E236R159-D161 VanDerWaalsContact C-N 3.28Å; R159-D161 PolarHBondContact O-N 3.27Å; D161-T164 WeakPolarHBondContact CA-OG1 3.38Å; D161-T164 PolarHBondContact O-OG1 3.38Å; D161-A165 VanDerWaalsContact O-CB 3.25Å; D161-A165 WeakPolarHBondContact O-CB 3.47Å; D161-A165 PolarHBondContact O-N 3.09Å; D161-E236 HydrophobicContact CB-CG 4.48Å
162A95Very high95.4Very high2 Ų254.5 Ų54.52%0.01729%0.286CS..Hα-helixtrans-68.7-38.117500000111.3R159 A160 A166 E236R159-A162 HydrophobicContact CB-CB 4.05Å; R159-A162 PolarHBondContact O-N 3.5Å; A160-A162 VanDerWaalsContact C-N 3.32Å; A160-A162 PolarHBondContact O-N 3.42Å; A162-A166 VanDerWaalsContact O-CB 3.32Å; A162-A166 WeakPolarHBondContact O-CB 3.49Å; A162-A166 PolarHBondContact O-N 3.3Å; A162-E236 HydrophobicContact CB-CB 4.42Å
163N96.2Very high95.4Very high50 Ų5054.6 Ų54.627%0.26729%0.286SS..Hα-helixtrans-70.4-42.2178.2-63.3-17000111.7S154 Y157 R159 A160 A166 I167S154-N163 PolarHBondContact OG-OD1 2.88Å; Y157-N163 PolarHBondContact O-ND2 2.86Å; Y157-N163 PolarHBondContact O-OD1 3.24Å; R159-N163 PolarHBondContact O-N 3.11Å; A160-N163 PolarHBondContact O-N 3.31Å; A160-N163 VanDerWaalsContact O-N 3.14Å; N163-A166 PolarHBondContact O-N 2.92Å; N163-I167 VanDerWaalsContact O-CG1 3.32Å; N163-I167 WeakPolarHBondContact O-CG1 3.39Å; N163-I167 PolarHBondContact O-N 3.42Å
164T96.2Very high95.4Very high85 Ų8559.7 Ų59.752%0.52131%0.305SS..Hα-helixtrans-63.7-42.9175.657.60000110.7A160 D161 A166 I167 Q168A160-T164 WeakPolarHBondContact O-CG2 3.46Å; A160-T164 PolarHBondContact O-N 3.34Å; A160-T164 PolarHBondContact O-OG1 3.26Å; D161-T164 WeakPolarHBondContact CA-OG1 3.38Å; D161-T164 PolarHBondContact O-OG1 3.38Å; T164-A166 PolarHBondContact O-N 2.77Å; T164-I167 PolarHBondContact O-N 3.41Å; T164-Q168 VanDerWaalsContact O-CB 3.24Å; T164-Q168 WeakPolarHBondContact O-CB 3.47Å; T164-Q168 PolarHBondContact O-N 2.95Å
165A95.7Very high95.4Very high2 Ų261.4 Ų61.42%0.01731%0.312CS..Hα-helixtrans-61.2-41.1174.500000112.8I153 D161 Q168 A169 S233I153-A165 HydrophobicContact CG2-CB 4.14Å; D161-A165 VanDerWaalsContact O-CB 3.25Å; D161-A165 WeakPolarHBondContact O-CB 3.47Å; D161-A165 PolarHBondContact O-N 3.09Å; A165-Q168 WeakPolarHBondContact O-CB 3.49Å; A165-Q168 PolarHBondContact O-N 3.37Å; A165-A169 PolarHBondContact O-N 3.23Å; A165-S233 WeakPolarHBondContact CB-O 3.42Å
166A95.9Very high95.4Very high0 Ų060.3 Ų60.30%031%0.308CS..Hα-helixtrans-67.1-45.1178.500000112F150 I153 A162 N163 T164 Q168 A169 I170F150-A166 HydrophobicContact CD2-CB 3.45Å; F150-A166 VanDerWaalsContact CD2-CB 3.45Å; F150-A166 HydrophobicContact CE2-CB 3.69Å; F150-A166 HydrophobicContact CG-CB 4.34Å; I153-A166 HydrophobicContact CB-CB 4.15Å; I153-A166 HydrophobicContact CG2-CB 3.96Å; A162-A166 VanDerWaalsContact O-CB 3.32Å; A162-A166 WeakPolarHBondContact O-CB 3.49Å; A162-A166 PolarHBondContact O-N 3.3Å; N163-A166 PolarHBondContact O-N 2.92Å; T164-A166 PolarHBondContact O-N 2.77Å; A166-Q168 VanDerWaalsContact C-N 3.3Å; A166-Q168 PolarHBondContact O-N 3.49Å; A166-A169 PolarHBondContact O-N 3.09Å; A166-I170 PolarHBondContact O-N 2.98Å; A166-I170 VanDerWaalsContact O-N 3.08Å
167I95.1Very high95.5Very high104 Ų10457 Ų5753%0.53330%0.296SS..Hα-helixtrans-61.6-41.9175-68.3167.1000110.4F150 N163 T164 A169 I170 L171F150-I167 HydrophobicContact CE2-CG1 4.21Å; N163-I167 VanDerWaalsContact O-CG1 3.32Å; N163-I167 WeakPolarHBondContact O-CG1 3.39Å; N163-I167 PolarHBondContact O-N 3.42Å; T164-I167 PolarHBondContact O-N 3.41Å; I167-A169 VanDerWaalsContact C-N 3.35Å; I167-A169 PolarHBondContact O-N 3.33Å; I167-I170 PolarHBondContact O-N 3.05Å; I167-L171 PolarHBondContact O-N 3.08Å
168Q95.1Very high95.7Very high32 Ų3253.9 Ų53.915%0.1529%0.29CS..Hα-helixtrans-57.1-48.9175.9-172.1-169.2-12.400110.6T164 A165 A166 I170 L171 Y172 P229 W230 S233 H532T164-Q168 VanDerWaalsContact O-CB 3.24Å; T164-Q168 WeakPolarHBondContact O-CB 3.47Å; T164-Q168 PolarHBondContact O-N 2.95Å; A165-Q168 WeakPolarHBondContact O-CB 3.49Å; A165-Q168 PolarHBondContact O-N 3.37Å; A166-Q168 VanDerWaalsContact C-N 3.3Å; A166-Q168 PolarHBondContact O-N 3.49Å; Q168-I170 PolarHBondContact O-N 2.91Å; Q168-L171 PolarHBondContact O-N 2.97Å; Q168-L171 VanDerWaalsContact O-N 3.17Å; Q168-Y172 HydrophobicContact CG-CD2 3.7Å; Q168-Y172 HydrophobicContact CG-CE2 3.47Å; Q168-Y172 VanDerWaalsContact CG-CE2 3.47Å; Q168-Y172 WeakPolarHBondContact O-CD2 3.33Å; Q168-Y172 PolarHBondContact O-N 2.97Å; Q168-P229 PolarHBondContact NE2-O 3.42Å; Q168-W230 HydrophobicContact CG-CB 4.29Å; Q168-S233 PolarHBondContact OE1-OG 3.46Å; Q168-H532 PolarHBondContact NE2-CE1 2.73Å
169A94.6Very high95.8Very high0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-59.5-41.8177.500000113I153 A165 A166 I167 N173 W230I153-A169 HydrophobicContact CD1-CB 4.01Å; A165-A169 PolarHBondContact O-N 3.23Å; A166-A169 PolarHBondContact O-N 3.09Å; I167-A169 VanDerWaalsContact C-N 3.35Å; I167-A169 PolarHBondContact O-N 3.33Å; A169-N173 WeakPolarHBondContact O-CB 3.08Å; A169-N173 PolarHBondContact O-N 3.09Å; A169-N173 VanDerWaalsContact O-N 3.08Å; A169-N173 PolarHBondContact O-ND2 3.13Å; A169-N173 VanDerWaalsContact O-ND2 3.08Å; A169-W230 HydrophobicContact CB-CB 4.34Å; A169-W230 HydrophobicContact CB-CD2 4.49Å; A169-W230 HydrophobicContact CB-CE3 3.95Å
170I96Very high95.9Very high54 Ų5443.2 Ų43.228%0.27723%0.23SC..Hα-helixtrans-60.4-48.8173.6-70.4-177.5000110.6F150 A166 I167 Q168 Y172 N173 R174F150-I170 HydrophobicContact CB-CD1 3.63Å; F150-I170 HydrophobicContact CB-CG1 3.82Å; F150-I170 HydrophobicContact CD1-CD1 4.06Å; F150-I170 HydrophobicContact CD2-CD1 3.17Å; F150-I170 HydrophobicContact CD2-CG1 3.74Å; F150-I170 HydrophobicContact CE2-CD1 3.77Å; F150-I170 HydrophobicContact CG-CD1 3.35Å; F150-I170 HydrophobicContact CG-CG1 4.01Å; F150-I170 HydrophobicContact CZ-CD1 4.42Å; A166-I170 PolarHBondContact O-N 2.98Å; A166-I170 VanDerWaalsContact O-N 3.08Å; I167-I170 PolarHBondContact O-N 3.05Å; Q168-I170 PolarHBondContact O-N 2.91Å; I170-Y172 PolarHBondContact O-N 3.26Å; I170-N173 PolarHBondContact O-N 3.38Å; I170-R174 HydrophobicContact CG2-CG 3.87Å; I170-R174 WeakPolarHBondContact O-CB 3.08Å; I170-R174 WeakPolarHBondContact O-CG 3.48Å; I170-R174 PolarHBondContact O-N 3.13Å
171L95.9Very high95.9Very high97 Ų9744 Ų4451%0.50822%0.224SC..Hα-helixtrans-60-47.4-174.9-166.9160.9000111.2I167 Q168 N173 R174 I175I167-L171 PolarHBondContact O-N 3.08Å; Q168-L171 PolarHBondContact O-N 2.97Å; Q168-L171 VanDerWaalsContact O-N 3.17Å; L171-N173 VanDerWaalsContact C-N 3.35Å; L171-N173 PolarHBondContact O-N 2.71Å; L171-R174 WeakPolarHBondContact O-CB 3.49Å; L171-R174 PolarHBondContact O-N 2.74Å; L171-I175 HydrophobicContact CD2-CD1 3.64Å; L171-I175 HydrophobicContact CD2-CG1 4.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.27Å; L171-I175 PolarHBondContact O-N 3.39Å
172Y95.6Very high96Very high17 Ų1743.3 Ų43.37%0.06722%0.22CC..Hα-helixtrans-64.4-38.4177.4-78.2-73.4000112.9Q168 I170 I175 G176 L227 W230 H532Q168-Y172 HydrophobicContact CG-CD2 3.7Å; Q168-Y172 HydrophobicContact CG-CE2 3.47Å; Q168-Y172 VanDerWaalsContact CG-CE2 3.47Å; Q168-Y172 WeakPolarHBondContact O-CD2 3.33Å; Q168-Y172 PolarHBondContact O-N 2.97Å; I170-Y172 PolarHBondContact O-N 3.26Å; Y172-I175 PolarHBondContact O-N 3.37Å; Y172-G176 PolarHBondContact O-N 3.01Å; Y172-L227 HydrophobicContact CD1-CB 3.77Å; Y172-L227 HydrophobicContact CD1-CD2 3.51Å; Y172-L227 HydrophobicContact CD1-CG 4.2Å; Y172-L227 HydrophobicContact CE1-CB 4.34Å; Y172-L227 HydrophobicContact CE1-CD2 3.82Å; Y172-W230 HydrophobicContact CD2-CB 3.7Å; Y172-W230 HydrophobicContact CD2-CG 4.28Å; Y172-W230 HydrophobicContact CE2-CB 4.4Å; Y172-W230 HydrophobicContact CG-CB 4.28Å; Y172-W230 AromaticContact CG-CD1 3.82Å; Y172-W230 HydrophobicContact CG-CG 4.39Å; Y172-H532 AromaticContact CE2-NE2 3.9Å; Y172-H532 AromaticContact CZ-NE2 3.8Å; Y172-H532 PolarHBondContact OH-NE2 3.42Å
173N95.1Very high95.9Very high4 Ų443.3 Ų43.32%0.02122%0.22CC..Hα-helixtrans-63.1-43.3173.9-70.1-22.3000111.4A169 I170 L171 I175 G176 D177 K221 M250A169-N173 WeakPolarHBondContact O-CB 3.08Å; A169-N173 PolarHBondContact O-N 3.09Å; A169-N173 VanDerWaalsContact O-N 3.08Å; A169-N173 PolarHBondContact O-ND2 3.13Å; A169-N173 VanDerWaalsContact O-ND2 3.08Å; I170-N173 PolarHBondContact O-N 3.38Å; L171-N173 VanDerWaalsContact C-N 3.35Å; L171-N173 PolarHBondContact O-N 2.71Å; N173-I175 VanDerWaalsContact C-N 3.3Å; N173-I175 PolarHBondContact O-N 3.42Å; N173-G176 CarbonylContact O-C 3.49Å; N173-G176 VanDerWaalsContact O-CA 3.3Å; N173-G176 WeakPolarHBondContact O-CA 3.35Å; N173-G176 PolarHBondContact O-N 3.35Å; N173-D177 PolarHBondContact O-N 3.06Å; N173-D177 VanDerWaalsContact O-OD1 3.05Å; N173-K221 HydrophobicContact CB-CD 4.39Å; N173-K221 WeakPolarHBondContact OD1-CD 3.46Å; N173-M250 WeakPolarHBondContact ND2-CE 3.17Å
174R96.7Very high95.8Very high109 Ų10941.8 Ų41.841%0.41121%0.212SC..Hα-helixtrans-60.6-36.6178-70-76.8172.4-142-2.8112.8E143 I170 L171 G176 D177 I178E143-R174 IonicContact OE1-CZ 2.76Å; E143-R174 IonicContact OE1-NH1 2.67Å; E143-R174 PolarHBondContact OE1-NH1 3.44Å; E143-R174 IonicContact OE1-NH2 3.18Å; E143-R174 IonicContact OE2-CZ 3.72Å; E143-R174 IonicContact OE2-NH1 3.88Å; E143-R174 PolarHBondContact OE2-NH1 3.09Å; E143-R174 IonicContact OE2-NH2 3.07Å; E143-R174 PolarHBondContact OE2-NH2 3.4Å; I170-R174 HydrophobicContact CG2-CG 3.87Å; I170-R174 WeakPolarHBondContact O-CB 3.08Å; I170-R174 WeakPolarHBondContact O-CG 3.48Å; I170-R174 PolarHBondContact O-N 3.13Å; L171-R174 WeakPolarHBondContact O-CB 3.49Å; L171-R174 PolarHBondContact O-N 2.74Å; R174-G176 VanDerWaalsContact C-N 3.29Å; R174-G176 PolarHBondContact O-N 3.05Å; R174-D177 VanDerWaalsContact CA-OD2 3.27Å; R174-D177 WeakPolarHBondContact CA-OD2 3.41Å; R174-D177 WeakPolarHBondContact CD-OD2 3.44Å; R174-D177 IonicContact CZ-OD2 3.97Å; R174-D177 IonicContact NE-OD2 2.73Å; R174-D177 IonicContact NH1-OD2 2.64Å; R174-D177 PolarHBondContact NH1-OD2 3.31Å; R174-D177 WeakPolarHBondContact O-CB 3.43Å; R174-D177 PolarHBondContact O-N 3.45Å; R174-I178 WeakPolarHBondContact O-CG1 3.45Å; R174-I178 PolarHBondContact O-N 3.04Å
175I96.8Very high95.7Very high56 Ų5639.9 Ų39.929%0.28720%0.204SC..Hα-helixtrans-61.4-40.9171.5-66167.8000110.7L171 Y172 N173 I178 L227L171-I175 HydrophobicContact CD2-CD1 3.64Å; L171-I175 HydrophobicContact CD2-CG1 4.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.27Å; L171-I175 PolarHBondContact O-N 3.39Å; Y172-I175 PolarHBondContact O-N 3.37Å; N173-I175 VanDerWaalsContact C-N 3.3Å; N173-I175 PolarHBondContact O-N 3.42Å; I175-I178 PolarHBondContact O-N 3.41Å; I175-L227 HydrophobicContact CB-CD2 4.45Å; I175-L227 HydrophobicContact CD1-CD2 4.07Å; I175-L227 HydrophobicContact CG2-CD1 4.01Å; I175-L227 HydrophobicContact CG2-CD2 4Å
176G96.1Very high95.6Very high0 Ų041.6 Ų41.60%021%0.21CC..Hα-helixtrans-65.1-39.2172.700000113Y172 N173 R174 I178 G179 F180 A217Y172-G176 PolarHBondContact O-N 3.01Å; N173-G176 CarbonylContact O-C 3.49Å; N173-G176 VanDerWaalsContact O-CA 3.3Å; N173-G176 WeakPolarHBondContact O-CA 3.35Å; N173-G176 PolarHBondContact O-N 3.35Å; R174-G176 VanDerWaalsContact C-N 3.29Å; R174-G176 PolarHBondContact O-N 3.05Å; G176-I178 PolarHBondContact O-N 3.49Å; G176-G179 WeakPolarHBondContact O-CA 3.35Å; G176-G179 PolarHBondContact O-N 3.01Å; G176-F180 PolarHBondContact O-N 2.94Å; G176-F180 VanDerWaalsContact O-N 3.12Å; G176-A217 VanDerWaalsContact O-CA 3.31Å; G176-A217 WeakPolarHBondContact O-CA 3.46Å; G176-A217 WeakPolarHBondContact O-CB 3.38Å
177D96.5Very high95.4Very high4 Ų441.6 Ų41.62%0.02121%0.21CC..Hα-helixtrans-61.2-32.2179.7-54.3-23.3000111.6F139 W142 E143 N173 R174 G179 F180 I181F139-D177 HydrophobicContact CE2-CB 4.47Å; W142-D177 VanDerWaalsContact CD1-OD1 3.24Å; W142-D177 PolarHBondContact NE1-OD1 3.3Å; E143-D177 VanDerWaalsContact OE1-CG 3.23Å; N173-D177 PolarHBondContact O-N 3.06Å; N173-D177 VanDerWaalsContact O-OD1 3.05Å; R174-D177 VanDerWaalsContact CA-OD2 3.27Å; R174-D177 WeakPolarHBondContact CA-OD2 3.41Å; R174-D177 WeakPolarHBondContact CD-OD2 3.44Å; R174-D177 IonicContact CZ-OD2 3.97Å; R174-D177 IonicContact NE-OD2 2.73Å; R174-D177 IonicContact NH1-OD2 2.64Å; R174-D177 PolarHBondContact NH1-OD2 3.31Å; R174-D177 WeakPolarHBondContact O-CB 3.43Å; R174-D177 PolarHBondContact O-N 3.45Å; D177-G179 VanDerWaalsContact C-N 3.28Å; D177-G179 PolarHBondContact O-N 2.82Å; D177-F180 PolarHBondContact O-N 3Å; D177-I181 WeakPolarHBondContact O-CB 3.32Å; D177-I181 VanDerWaalsContact O-CG1 3.27Å; D177-I181 WeakPolarHBondContact O-CG1 3.11Å; D177-I181 PolarHBondContact O-N 3.42Å
178I97.6Very high95.2Very high114 Ų11438.9 Ų38.959%0.58520%0.196SC*.Hα-helixtrans-56.8-44.3172.4-63.5166.9000110.6R174 I175 G176 L182R174-I178 WeakPolarHBondContact O-CG1 3.45Å; R174-I178 PolarHBondContact O-N 3.04Å; I175-I178 PolarHBondContact O-N 3.41Å; G176-I178 PolarHBondContact O-N 3.49Å; I178-L182 WeakPolarHBondContact O-CB 3.29Å; I178-L182 PolarHBondContact O-N 2.99Å
179G96.3Very high95Very high1 Ų144 Ų441%0.0122%0.224CC..Hα-helixtrans-67.1-38.7177.100000112.8G176 D177 L182 A183 G213G176-G179 WeakPolarHBondContact O-CA 3.35Å; G176-G179 PolarHBondContact O-N 3.01Å; D177-G179 VanDerWaalsContact C-N 3.28Å; D177-G179 PolarHBondContact O-N 2.82Å; G179-L182 WeakPolarHBondContact O-CB 3.42Å; G179-L182 PolarHBondContact O-N 3.43Å; G179-A183 PolarHBondContact O-N 3.43Å; G179-A183 VanDerWaalsContact O-N 3.08Å; G179-G213 CarbonylContact C-O 3.49Å; G179-G213 VanDerWaalsContact CA-O 3.28Å; G179-G213 WeakPolarHBondContact CA-O 3.18Å; G179-G213 CarbonylContact O-C 3.21Å; G179-G213 VanDerWaalsContact O-C 3.29Å; G179-G213 VanDerWaalsContact O-CA 3.23Å; G179-G213 WeakPolarHBondContact O-CA 3.37Å
180F96.3Very high94.8Very high0 Ų049.9 Ų49.90%025%0.251CS..Hα-helixtrans-64.6-47.7176.4-163.2-64.9000111.4L135 L138 F139 W142 G176 D177 L182 A183 L184 A217 L257L135-F180 HydrophobicContact CD2-CE1 4.33Å; L135-F180 HydrophobicContact CD2-CZ 4.12Å; L138-F180 HydrophobicContact CB-CZ 4.38Å; L138-F180 HydrophobicContact CD2-CE2 3.4Å; L138-F180 HydrophobicContact CD2-CZ 3.52Å; F139-F180 HydrophobicContact CB-CD1 4.38Å; F139-F180 HydrophobicContact CB-CE1 3.73Å; F139-F180 HydrophobicContact CB-CZ 4.04Å; F139-F180 AromaticContact CD2-CD1 3.55Å; F139-F180 HydrophobicContact CD2-CD1 3.55Å; F139-F180 AromaticContact CD2-CE1 3.77Å; F139-F180 HydrophobicContact CD2-CE1 3.77Å; F139-F180 AromaticContact CD2-CG 3.99Å; F139-F180 HydrophobicContact CD2-CG 3.99Å; F139-F180 HydrophobicContact CD2-CZ 4.32Å; F139-F180 HydrophobicContact CE2-CD1 4.28Å; F139-F180 HydrophobicContact CE2-CG 4.5Å; F139-F180 HydrophobicContact CG-CD1 4.32Å; F139-F180 HydrophobicContact CG-CE1 4.16Å; W142-F180 HydrophobicContact CD2-CD2 4.09Å; W142-F180 HydrophobicContact CD2-CE2 4.19Å; W142-F180 HydrophobicContact CE3-CD2 4.37Å; W142-F180 HydrophobicContact CE3-CE2 4.22Å; W142-F180 HydrophobicContact CG-CD2 4.44Å; W142-F180 HydrophobicContact CG-CE2 4.43Å; W142-F180 HydrophobicContact CZ2-CD2 4.34Å; G176-F180 PolarHBondContact O-N 2.94Å; G176-F180 VanDerWaalsContact O-N 3.12Å; D177-F180 PolarHBondContact O-N 3Å; F180-L182 VanDerWaalsContact C-N 3.3Å; F180-L182 PolarHBondContact O-N 3.24Å; F180-A183 WeakPolarHBondContact O-CB 3.5Å; F180-A183 PolarHBondContact O-N 3.32Å; F180-A183 VanDerWaalsContact O-N 3.13Å; F180-L184 HydrophobicContact CD1-CD1 3.65Å; F180-L184 HydrophobicContact CD1-CG 3.88Å; F180-L184 HydrophobicContact CE1-CD1 3.67Å; F180-L184 HydrophobicContact CE1-CD2 4.33Å; F180-L184 HydrophobicContact CE1-CG 3.77Å; F180-L184 PolarHBondContact O-N 3.38Å; F180-A217 HydrophobicContact CB-CB 3.98Å; F180-A217 HydrophobicContact CD2-CB 4.3Å; F180-L257 HydrophobicContact CD2-CD1 3.58Å; F180-L257 HydrophobicContact CE2-CD1 3.31Å; F180-L257 HydrophobicContact CZ-CD1 4.35Å
181I96.9Very high94.4Very high86 Ų8647.6 Ų47.644%0.44124%0.24SC..Hα-helixtrans-64.6-37.3179.2-66.9166.3000110.3F139 D177 A183 L184 A185F139-I181 HydrophobicContact CE2-CD1 4.47Å; F139-I181 HydrophobicContact CE2-CG1 4.12Å; F139-I181 HydrophobicContact CZ-CD1 4.15Å; F139-I181 HydrophobicContact CZ-CG1 4.15Å; D177-I181 WeakPolarHBondContact O-CB 3.32Å; D177-I181 VanDerWaalsContact O-CG1 3.27Å; D177-I181 WeakPolarHBondContact O-CG1 3.11Å; D177-I181 PolarHBondContact O-N 3.42Å; I181-A183 VanDerWaalsContact C-N 3.32Å; I181-A183 PolarHBondContact O-N 3.42Å; I181-L184 WeakPolarHBondContact O-CB 3.39Å; I181-L184 PolarHBondContact O-N 2.87Å; I181-A185 WeakPolarHBondContact O-CB 3.36Å; I181-A185 PolarHBondContact O-N 3.22Å
182L95.7Very high94.1Very high93 Ų9346.7 Ų46.749%0.48724%0.236SC..Hα-helixtrans-58.4-44.2172.2-178.569.5000111.5I178 G179 F180 A185 W186I178-L182 WeakPolarHBondContact O-CB 3.29Å; I178-L182 PolarHBondContact O-N 2.99Å; G179-L182 WeakPolarHBondContact O-CB 3.42Å; G179-L182 PolarHBondContact O-N 3.43Å; F180-L182 VanDerWaalsContact C-N 3.3Å; F180-L182 PolarHBondContact O-N 3.24Å; L182-A185 PolarHBondContact O-N 3.26Å; L182-W186 WeakPolarHBondContact O-CB 3.28Å; L182-W186 PolarHBondContact O-N 3.14Å
183A94.1Very high93.9Very high1 Ų146.3 Ų46.31%0.00824%0.236CC..Hα-helixtrans-64.8-45.4176.200000111.8G179 F180 I181 A185 W186 F187 P210 L214G179-A183 PolarHBondContact O-N 3.43Å; G179-A183 VanDerWaalsContact O-N 3.08Å; F180-A183 WeakPolarHBondContact O-CB 3.5Å; F180-A183 PolarHBondContact O-N 3.32Å; F180-A183 VanDerWaalsContact O-N 3.13Å; I181-A183 VanDerWaalsContact C-N 3.32Å; I181-A183 PolarHBondContact O-N 3.42Å; A183-A185 VanDerWaalsContact C-N 3.35Å; A183-A185 PolarHBondContact O-N 2.93Å; A183-W186 PolarHBondContact O-N 2.53Å; A183-F187 HydrophobicContact CB-CD2 4.34Å; A183-F187 HydrophobicContact CB-CE2 4.07Å; A183-F187 WeakPolarHBondContact O-CD2 3.41Å; A183-F187 WeakPolarHBondContact O-CG 3.35Å; A183-F187 PolarHBondContact O-N 2.97Å; A183-P210 HydrophobicContact CB-CB 4.32Å; A183-L214 HydrophobicContact CB-CD2 3.91Å; A183-L214 HydrophobicContact CB-CG 3.95Å
184L94.2Very high93.7Very high19 Ų1948.4 Ų48.410%0.09924%0.243CC..Hα-helixtrans-55.2-47.5174.5-83.2170.7000112.5L135 F139 F180 I181 I188 W194L135-L184 HydrophobicContact CB-CD2 3.52Å; L135-L184 HydrophobicContact CD1-CD2 4.21Å; L135-L184 HydrophobicContact CG-CD2 4.44Å; F139-L184 HydrophobicContact CB-CD1 4.39Å; F139-L184 HydrophobicContact CD2-CD1 4.47Å; F139-L184 HydrophobicContact CG-CD1 4.32Å; F180-L184 HydrophobicContact CD1-CD1 3.65Å; F180-L184 HydrophobicContact CD1-CG 3.88Å; F180-L184 HydrophobicContact CE1-CD1 3.67Å; F180-L184 HydrophobicContact CE1-CD2 4.33Å; F180-L184 HydrophobicContact CE1-CG 3.77Å; F180-L184 PolarHBondContact O-N 3.38Å; I181-L184 WeakPolarHBondContact O-CB 3.39Å; I181-L184 PolarHBondContact O-N 2.87Å; L184-I188 PolarHBondContact O-N 3.35Å; L184-I188 VanDerWaalsContact O-N 3.07Å; L184-W194 HydrophobicContact CD2-CD2 4.35Å; L184-W194 HydrophobicContact CD2-CG 4.31Å; L184-W194 PolarHBondContact O-NE1 3.43Å
185A94.6Very high93.4Very high44 Ų4445.5 Ų45.536%0.36424%0.236SC..Hα-helixtrans-65.8-38.9179.100000111.6I181 L182 A183 I188 L189I181-A185 WeakPolarHBondContact O-CB 3.36Å; I181-A185 PolarHBondContact O-N 3.22Å; L182-A185 PolarHBondContact O-N 3.26Å; A183-A185 VanDerWaalsContact C-N 3.35Å; A183-A185 PolarHBondContact O-N 2.93Å; A185-I188 WeakPolarHBondContact O-CG2 3.1Å; A185-L189 WeakPolarHBondContact O-CD1 3.46Å; A185-L189 VanDerWaalsContact O-CG 3.23Å; A185-L189 WeakPolarHBondContact O-CG 3.23Å; A185-L189 PolarHBondContact O-N 3.1Å
186W93.1Very high92.9Very high38 Ų3843.8 Ų43.814%0.14423%0.228CC..Hα-helixtrans-67.3-46177.1-168.987.6000111.8L182 A183 I188 L189 H190 S207 T209 P210L182-W186 WeakPolarHBondContact O-CB 3.28Å; L182-W186 PolarHBondContact O-N 3.14Å; A183-W186 PolarHBondContact O-N 2.53Å; W186-I188 PolarHBondContact O-N 2.91Å; W186-L189 PolarHBondContact O-N 3.23Å; W186-H190 AromaticContact CD1-CD2 3.62Å; W186-H190 AromaticContact CD1-NE2 3.83Å; W186-H190 AromaticContact CD2-CD2 3.65Å; W186-H190 AromaticContact CE2-CD2 3.16Å; W186-H190 AromaticContact CE2-CG 3.89Å; W186-H190 AromaticContact CE2-NE2 3.71Å; W186-H190 AromaticContact CG-CD2 3.9Å; W186-H190 HydrophobicContact CH2-CB 4.07Å; W186-H190 HydrophobicContact CZ2-CB 4.08Å; W186-H190 AromaticContact CZ2-CD2 3.51Å; W186-H190 AromaticContact CZ2-CG 3.76Å; W186-H190 HydrophobicContact CZ3-CB 4.34Å; W186-H190 AromaticContact NE1-CD2 3.17Å; W186-H190 PolarHBondContact NE1-CD2 2.99Å; W186-H190 AromaticContact NE1-NE2 3.28Å; W186-H190 PolarHBondContact NE1-NE2 3.39Å; W186-H190 PolarHBondContact O-CD2 3.43Å; W186-H190 PolarHBondContact O-N 2.97Å; W186-H190 VanDerWaalsContact O-N 3.1Å; W186-S207 WeakPolarHBondContact CH2-OG 3.03Å; W186-S207 WeakPolarHBondContact CZ2-OG 3.19Å; W186-S207 PolarHBondContact NE1-OG 3.15Å; W186-T209 PolarHBondContact NE1-OG1 3.08Å; W186-P210 HydrophobicContact CB-CB 4.36Å; W186-P210 HydrophobicContact CD2-CB 4.08Å; W186-P210 HydrophobicContact CD2-CG 3.75Å; W186-P210 HydrophobicContact CE3-CB 3.76Å; W186-P210 HydrophobicContact CE3-CG 3.47Å; W186-P210 VanDerWaalsContact CE3-CG 3.47Å; W186-P210 HydrophobicContact CG-CB 4.32Å; W186-P210 HydrophobicContact CG-CG 4.34Å; W186-P210 HydrophobicContact CH2-CG 4.43Å; W186-P210 HydrophobicContact CZ3-CB 4.49Å; W186-P210 HydrophobicContact CZ3-CG 3.82Å
187F91.6Very high92.4Very high1 Ų146.4 Ų46.40%0.00424%0.241CC..Hα-helixtrans-65.4-38.6-179.3-70.7-55.2000112.8L135 A183 L189 S191 N192 M199 P210 L214 L264L135-F187 HydrophobicContact CD1-CD2 3.55Å; L135-F187 HydrophobicContact CD1-CE2 4.07Å; L135-F187 HydrophobicContact CD1-CG 4.35Å; A183-F187 HydrophobicContact CB-CD2 4.34Å; A183-F187 HydrophobicContact CB-CE2 4.07Å; A183-F187 WeakPolarHBondContact O-CD2 3.41Å; A183-F187 WeakPolarHBondContact O-CG 3.35Å; A183-F187 PolarHBondContact O-N 2.97Å; F187-L189 PolarHBondContact O-N 3.08Å; F187-S191 WeakPolarHBondContact O-CA 3.48Å; F187-S191 WeakPolarHBondContact O-CB 3.28Å; F187-S191 PolarHBondContact O-N 3.2Å; F187-S191 PolarHBondContact O-OG 2.92Å; F187-N192 PolarHBondContact O-N 3.29Å; F187-M199 HydrophobicContact CB-SD 3.63Å; F187-M199 HydrophobicContact CD1-CB 4.49Å; F187-M199 HydrophobicContact CD1-CG 4.09Å; F187-M199 HydrophobicContact CD1-SD 3.42Å; F187-M199 WeakPolarHBondContact CD1-SD 3.13Å; F187-M199 HydrophobicContact CD2-SD 3.63Å; F187-M199 HydrophobicContact CE1-SD 3.92Å; F187-M199 HydrophobicContact CE2-SD 4.1Å; F187-M199 HydrophobicContact CG-CG 4.43Å; F187-M199 HydrophobicContact CG-SD 3.28Å; F187-M199 WeakPolarHBondContact CG-SD 3.39Å; F187-M199 HydrophobicContact CZ-SD 4.23Å; F187-P210 HydrophobicContact CE1-CB 4.1Å; F187-P210 HydrophobicContact CE1-CG 4.35Å; F187-P210 HydrophobicContact CE2-CB 4Å; F187-P210 HydrophobicContact CZ-CB 3.68Å; F187-P210 HydrophobicContact CZ-CG 4.29Å; F187-L214 HydrophobicContact CE2-CD1 4.46Å; F187-L264 HydrophobicContact CE1-CD1 4.08Å; F187-L264 HydrophobicContact CZ-CD1 3.87Å
188I91.3Very high91.9Very high46 Ų4650.3 Ų50.324%0.23626%0.259CS..Hα-helixtrans-66.2-39.2177.5-156.561.2000111.8T72 L184 A185 W186 N192 W194T72-I188 HydrophobicContact CG2-CD1 3.6Å; L184-I188 PolarHBondContact O-N 3.35Å; L184-I188 VanDerWaalsContact O-N 3.07Å; A185-I188 WeakPolarHBondContact O-CG2 3.1Å; W186-I188 PolarHBondContact O-N 2.91Å; I188-N192 WeakPolarHBondContact O-CA 3.42Å; I188-N192 PolarHBondContact O-N 2.63Å; I188-W194 HydrophobicContact CB-CZ2 4.41Å; I188-W194 HydrophobicContact CD1-CD2 4.33Å; I188-W194 HydrophobicContact CD1-CZ2 4.09Å; I188-W194 HydrophobicContact CG1-CZ2 4.18Å
189L91.3Very high91.4Very high140 Ų14044.9 Ų44.973%0.73323%0.231SC*.Hα-helixtrans-69.9-37.1-179.3-71.4170.6000113A185 W186 F187A185-L189 WeakPolarHBondContact O-CD1 3.46Å; A185-L189 VanDerWaalsContact O-CG 3.23Å; A185-L189 WeakPolarHBondContact O-CG 3.23Å; A185-L189 PolarHBondContact O-N 3.1Å; W186-L189 PolarHBondContact O-N 3.23Å; F187-L189 PolarHBondContact O-N 3.08Å
190H89Confident90.7Very high123 Ų12346.8 Ų46.857%0.56925%0.246SC*.Hα-helixtrans-101.3-36-172.9-70.9-71.8000114.7W186W186-H190 AromaticContact CD1-CD2 3.62Å; W186-H190 AromaticContact CD1-NE2 3.83Å; W186-H190 AromaticContact CD2-CD2 3.65Å; W186-H190 AromaticContact CE2-CD2 3.16Å; W186-H190 AromaticContact CE2-CG 3.89Å; W186-H190 AromaticContact CE2-NE2 3.71Å; W186-H190 AromaticContact CG-CD2 3.9Å; W186-H190 HydrophobicContact CH2-CB 4.07Å; W186-H190 HydrophobicContact CZ2-CB 4.08Å; W186-H190 AromaticContact CZ2-CD2 3.51Å; W186-H190 AromaticContact CZ2-CG 3.76Å; W186-H190 HydrophobicContact CZ3-CB 4.34Å; W186-H190 AromaticContact NE1-CD2 3.17Å; W186-H190 PolarHBondContact NE1-CD2 2.99Å; W186-H190 AromaticContact NE1-NE2 3.28Å; W186-H190 PolarHBondContact NE1-NE2 3.39Å; W186-H190 PolarHBondContact O-CD2 3.43Å; W186-H190 PolarHBondContact O-N 2.97Å; W186-H190 VanDerWaalsContact O-N 3.1Å
191S87.4Confident90.2Very high7 Ų753.9 Ų53.95%0.04928%0.284CS..Hα-helixtrans-109-4.5-176.268.50000113.7F187 S193F187-S191 WeakPolarHBondContact O-CA 3.48Å; F187-S191 WeakPolarHBondContact O-CB 3.28Å; F187-S191 PolarHBondContact O-N 3.2Å; F187-S191 PolarHBondContact O-OG 2.92Å; S191-S193 PolarHBondContact O-N 2.94Å; S191-S193 PolarHBondContact O-OG 3.19Å; S191-S193 PolarHBondContact OG-O 3.2Å
192N90.9Very high89.5Confident77 Ų7754.7 Ų54.741%0.41229%0.288SS..SBendtrans47.829.9-178.7-164.538.6000113.8T71 T72 F187 I188T71-N192 WeakPolarHBondContact CB-ND2 3.45Å; T71-N192 PolarHBondContact OG1-ND2 3.02Å; T71-N192 PolarHBondContact OG1-OD1 3.38Å; T72-N192 WeakPolarHBondContact CG2-O 3.01Å; T72-N192 WeakPolarHBondContact CG2-OD1 3.47Å; F187-N192 PolarHBondContact O-N 3.29Å; I188-N192 WeakPolarHBondContact O-CA 3.42Å; I188-N192 PolarHBondContact O-N 2.63Å
193S89.8Confident88.2Confident9 Ų951.6 Ų51.66%0.06327%0.272CS..  trans-155.4157.2-176.257.50000110.4S191 Q198S191-S193 PolarHBondContact O-N 2.94Å; S191-S193 PolarHBondContact O-OG 3.19Å; S191-S193 PolarHBondContact OG-O 3.2Å; S193-Q198 WeakPolarHBondContact OG-CG 3.48Å; S193-Q198 PolarHBondContact OG-OE1 3.36Å
194W90.8Very high86.9Confident49 Ų4954.8 Ų54.819%0.18630%0.298CS..  trans-115.910.4176-75.1-23.7000112.6L74 L135 F136 L184 I188L74-W194 HydrophobicContact CD1-CZ3 4.02Å; L74-W194 HydrophobicContact CD2-CE3 3.34Å; L74-W194 HydrophobicContact CD2-CH2 4.47Å; L74-W194 HydrophobicContact CD2-CZ3 3.31Å; L74-W194 HydrophobicContact CG-CZ3 4.31Å; L135-W194 HydrophobicContact CB-CB 4.12Å; L135-W194 HydrophobicContact CB-CG 4.46Å; L135-W194 PolarHBondContact N-O 2.91Å; F136-W194 HydrophobicContact CB-CE3 3.68Å; F136-W194 HydrophobicContact CB-CZ3 3.85Å; F136-W194 HydrophobicContact CD2-CZ3 4.22Å; F136-W194 HydrophobicContact CG-CE3 4.47Å; F136-W194 HydrophobicContact CG-CZ3 4.15Å; L184-W194 HydrophobicContact CD2-CD2 4.35Å; L184-W194 HydrophobicContact CD2-CG 4.31Å; L184-W194 PolarHBondContact O-NE1 3.43Å; I188-W194 HydrophobicContact CB-CZ2 4.41Å; I188-W194 HydrophobicContact CD1-CD2 4.33Å; I188-W194 HydrophobicContact CD1-CZ2 4.09Å; I188-W194 HydrophobicContact CG1-CZ2 4.18Å
195D90.8Very high85.8Confident47 Ų4760.9 Ų60.925%0.25133%0.331SS..  trans-95.6122.4-174.3-69.912.6000109.3N134 Q197 Q198 M199N134-D195 VanDerWaalsContact CG-OD1 3.23Å; N134-D195 PolarHBondContact OD1-OD1 3.31Å; D195-Q197 PolarHBondContact O-N 3.1Å; D195-Q197 VanDerWaalsContact O-N 3.15Å; D195-Q198 HydrophobicContact CB-CB 4.47Å; D195-Q198 PolarHBondContact O-N 3.05Å; D195-Q198 VanDerWaalsContact O-N 3.09Å; D195-M199 WeakPolarHBondContact O-CG 3.4Å; D195-M199 PolarHBondContact O-N 2.82Å
196P86.1Confident84.7Confident20 Ų2059.7 Ų59.713%0.1332%0.32CS..Hα-helixtrans-59.8-30-173.822.9-32.8000113.2N133 M199 A200 F261N133-P196 WeakPolarHBondContact O-CD 3.35Å; N133-P196 WeakPolarHBondContact O-CG 3.2Å; P196-M199 HydrophobicContact CB-CE 4.07Å; P196-A200 VanDerWaalsContact O-CB 3.29Å; P196-A200 WeakPolarHBondContact O-CB 3.25Å; P196-A200 PolarHBondContact O-N 3.05Å; P196-F261 HydrophobicContact CB-CE1 4.02Å
197Q86.3Confident84.2Confident56 Ų5659.8 Ų59.826%0.26233%0.326SS..Hα-helixtrans-62.7-49.8175.6-60.883.1-3.900111.4I60 N133 D195 A200 L201I60-Q197 HydrophobicContact CD1-CG 4.43Å; I60-Q197 VanDerWaalsContact CD1-NE2 3.28Å; N133-Q197 PolarHBondContact ND2-OE1 2.76Å; N133-Q197 PolarHBondContact OD1-NE2 3.31Å; N133-Q197 PolarHBondContact OD1-OE1 3.03Å; N133-Q197 VanDerWaalsContact OD1-OE1 3.1Å; D195-Q197 PolarHBondContact O-N 3.1Å; D195-Q197 VanDerWaalsContact O-N 3.15Å; Q197-A200 PolarHBondContact O-N 3.38Å; Q197-L201 VanDerWaalsContact O-CG 3.28Å; Q197-L201 WeakPolarHBondContact O-CG 3.36Å; Q197-L201 PolarHBondContact O-N 2.87Å; Q197-L201 VanDerWaalsContact O-N 3.11Å
198Q86.4Confident84.2Confident85 Ų8563 Ų6340%0.39734%0.343SS..Hα-helixtrans-68.3-39.6-178.4-175.3173.3-7.900111S193 D195 A200 L201 L202S193-Q198 WeakPolarHBondContact OG-CG 3.48Å; S193-Q198 PolarHBondContact OG-OE1 3.36Å; D195-Q198 HydrophobicContact CB-CB 4.47Å; D195-Q198 PolarHBondContact O-N 3.05Å; D195-Q198 VanDerWaalsContact O-N 3.09Å; Q198-A200 PolarHBondContact O-N 3.45Å; Q198-L201 PolarHBondContact O-N 2.78Å; Q198-L202 HydrophobicContact CG-CD1 3.7Å; Q198-L202 HydrophobicContact CG-CG 4.36Å; Q198-L202 WeakPolarHBondContact O-CB 2.87Å; Q198-L202 WeakPolarHBondContact O-CG 2.91Å; Q198-L202 PolarHBondContact O-N 3.24Å
199M85.8Confident84.2Confident0 Ų063.9 Ų63.90%035%0.351CS..Hα-helixtrans-62.7-42.6176.9-64.4-176-60.400112.1L135 F187 D195 P196 N203 F261L135-M199 HydrophobicContact CD1-CE 3.6Å; L135-M199 HydrophobicContact CD1-SD 3.78Å; L135-M199 HydrophobicContact CG-CE 4.04Å; F187-M199 HydrophobicContact CB-SD 3.63Å; F187-M199 HydrophobicContact CD1-CB 4.49Å; F187-M199 HydrophobicContact CD1-CG 4.09Å; F187-M199 HydrophobicContact CD1-SD 3.42Å; F187-M199 WeakPolarHBondContact CD1-SD 3.13Å; F187-M199 HydrophobicContact CD2-SD 3.63Å; F187-M199 HydrophobicContact CE1-SD 3.92Å; F187-M199 HydrophobicContact CE2-SD 4.1Å; F187-M199 HydrophobicContact CG-CG 4.43Å; F187-M199 HydrophobicContact CG-SD 3.28Å; F187-M199 WeakPolarHBondContact CG-SD 3.39Å; F187-M199 HydrophobicContact CZ-SD 4.23Å; D195-M199 WeakPolarHBondContact O-CG 3.4Å; D195-M199 PolarHBondContact O-N 2.82Å; P196-M199 HydrophobicContact CB-CE 4.07Å; M199-N203 WeakPolarHBondContact O-CB 3.35Å; M199-N203 PolarHBondContact O-N 3.04Å; M199-N203 VanDerWaalsContact O-N 3.12Å; M199-F261 HydrophobicContact CE-CE1 3.55Å; M199-F261 HydrophobicContact CE-CZ 4.12Å
200A83.6Confident84.3Confident41 Ų4157.3 Ų57.334%0.33932%0.316SS..Hα-helixtrans-67.4-36.3178.200000112.7P196 Q197 Q198 P263P196-A200 VanDerWaalsContact O-CB 3.29Å; P196-A200 WeakPolarHBondContact O-CB 3.25Å; P196-A200 PolarHBondContact O-N 3.05Å; Q197-A200 PolarHBondContact O-N 3.38Å; Q198-A200 PolarHBondContact O-N 3.45Å; A200-P263 HydrophobicContact CB-CB 4.44Å
201L84.3Confident84.5Confident149 Ų14951.8 Ų51.878%0.7829%0.291SS*.Hα-helixtrans-71.1-40.8178.5-72.3167.3000112.8Q197 Q198Q197-L201 VanDerWaalsContact O-CG 3.28Å; Q197-L201 WeakPolarHBondContact O-CG 3.36Å; Q197-L201 PolarHBondContact O-N 2.87Å; Q197-L201 VanDerWaalsContact O-N 3.11Å; Q198-L201 PolarHBondContact O-N 2.78Å
202L81.6Confident84.9Confident104 Ų10454.7 Ų54.755%0.54531%0.305SS..Hα-helixtrans-80.3-32.4-175.6-68.2173000113Q198 A204Q198-L202 HydrophobicContact CG-CD1 3.7Å; Q198-L202 HydrophobicContact CG-CG 4.36Å; Q198-L202 WeakPolarHBondContact O-CB 2.87Å; Q198-L202 WeakPolarHBondContact O-CG 2.91Å; Q198-L202 PolarHBondContact O-N 3.24Å; L202-A204 PolarHBondContact O-N 3.43Å
203N70.4Confident85.2Confident28 Ų2851 Ų5115%0.1529%0.286CS..  trans-103.571.7-174.3-69.4-31.3000112M199 N205 L264M199-N203 WeakPolarHBondContact O-CB 3.35Å; M199-N203 PolarHBondContact O-N 3.04Å; M199-N203 VanDerWaalsContact O-N 3.12Å; N203-N205 PolarHBondContact O-N 2.67Å; N203-L264 HydrophobicContact CB-CD2 4.25Å
204A65.9Low85.4Confident67 Ų6750.7 Ų50.755%0.55428%0.284SS*.SBendtrans-58.3-35.4171.700000112.1L202 P206 N267L202-A204 PolarHBondContact O-N 3.43Å; A204-P206 WeakPolarHBondContact O-CD 3.33Å; A204-N267 PolarHBondContact O-ND2 3.03Å
205N71Confident85.7Confident148 Ų14849.3 Ų49.379%0.79128%0.28SS*.SBendtrans-117.986.8172.3-70.7-16.7000109.7N203 S207N203-N205 PolarHBondContact O-N 2.67Å; N205-S207 PolarHBondContact O-N 2.89Å
206P72.1Confident86Confident19 Ų1950.1 Ų50.112%0.12328%0.284CS..  trans-65.9139.4-178.523.4-27.2000110.4A204 L211 L264A204-P206 WeakPolarHBondContact O-CD 3.33Å; P206-L211 HydrophobicContact CB-CD1 4.11Å; P206-L211 HydrophobicContact CG-CD1 4.06Å; P206-L264 HydrophobicContact CB-CD2 4.38Å; P206-L264 HydrophobicContact CG-CB 4.44Å; P206-L264 WeakPolarHBondContact CG-O 3.46Å
207S81.8Confident86.5Confident39 Ų3949.2 Ų49.227%0.27328%0.278SS..  trans-66.6153.7171.872.60000110.3W186 N205 T209 P210W186-S207 WeakPolarHBondContact CH2-OG 3.03Å; W186-S207 WeakPolarHBondContact CZ2-OG 3.19Å; W186-S207 PolarHBondContact NE1-OG 3.15Å; N205-S207 PolarHBondContact O-N 2.89Å; S207-T209 VanDerWaalsContact C-N 3.26Å; S207-T209 PolarHBondContact O-N 3.1Å; S207-T209 PolarHBondContact OG-OG1 3.17Å; S207-P210 VanDerWaalsContact O-CD 3.29Å; S207-P210 WeakPolarHBondContact O-CD 3.19Å; S207-P210 WeakPolarHBondContact O-CG 3.29Å; S207-P210 WeakPolarHBondContact OG-CD 3.43Å
208L91.1Very high87Confident68 Ų6846.5 Ų46.536%0.35627%0.265SS..Hα-helixtrans-64.8-29.9-179.1177.661.3000112.8L211 L212 L270 I271L208-L211 PolarHBondContact O-N 3.11Å; L208-L212 HydrophobicContact CD1-CD1 4.04Å; L208-L212 HydrophobicContact CD1-CD2 4.27Å; L208-L212 HydrophobicContact CD1-CG 3.8Å; L208-L212 HydrophobicContact CD2-CD1 4Å; L208-L212 HydrophobicContact CG-CD1 3.62Å; L208-L212 HydrophobicContact CG-CG 3.88Å; L208-L212 WeakPolarHBondContact O-CG 3.41Å; L208-L212 PolarHBondContact O-N 2.99Å; L208-L270 HydrophobicContact CD1-CD2 3.82Å; L208-L270 HydrophobicContact CD1-CG 4.49Å; L208-L270 HydrophobicContact CD2-CD2 3.68Å; L208-L270 HydrophobicContact CG-CD2 4.43Å; L208-I271 HydrophobicContact CD1-CD1 3.13Å; L208-I271 HydrophobicContact CD1-CG1 3.97Å
209T92.6Very high87.5Confident66 Ų6642.8 Ų42.841%0.40525%0.249SC..Hα-helixtrans-63.5-51.7-170.446.60000115.2W186 S207 L211 L212 G213W186-T209 PolarHBondContact NE1-OG1 3.08Å; S207-T209 VanDerWaalsContact C-N 3.26Å; S207-T209 PolarHBondContact O-N 3.1Å; S207-T209 PolarHBondContact OG-OG1 3.17Å; T209-L211 VanDerWaalsContact C-N 3.29Å; T209-L211 PolarHBondContact O-N 3.08Å; T209-L212 PolarHBondContact O-N 3.16Å; T209-G213 PolarHBondContact O-N 3.41Å
210P93Very high88Confident1 Ų142.8 Ų42.81%0.00625%0.249CC..Hα-helixtrans-63.2-36.9176.728.4-38.3000111.5A183 W186 F187 S207 G213 L214A183-P210 HydrophobicContact CB-CB 4.32Å; W186-P210 HydrophobicContact CB-CB 4.36Å; W186-P210 HydrophobicContact CD2-CB 4.08Å; W186-P210 HydrophobicContact CD2-CG 3.75Å; W186-P210 HydrophobicContact CE3-CB 3.76Å; W186-P210 HydrophobicContact CE3-CG 3.47Å; W186-P210 VanDerWaalsContact CE3-CG 3.47Å; W186-P210 HydrophobicContact CG-CB 4.32Å; W186-P210 HydrophobicContact CG-CG 4.34Å; W186-P210 HydrophobicContact CH2-CG 4.43Å; W186-P210 HydrophobicContact CZ3-CB 4.49Å; W186-P210 HydrophobicContact CZ3-CG 3.82Å; F187-P210 HydrophobicContact CE1-CB 4.1Å; F187-P210 HydrophobicContact CE1-CG 4.35Å; F187-P210 HydrophobicContact CE2-CB 4Å; F187-P210 HydrophobicContact CZ-CB 3.68Å; F187-P210 HydrophobicContact CZ-CG 4.29Å; S207-P210 VanDerWaalsContact O-CD 3.29Å; S207-P210 WeakPolarHBondContact O-CD 3.19Å; S207-P210 WeakPolarHBondContact O-CG 3.29Å; S207-P210 WeakPolarHBondContact OG-CD 3.43Å; P210-G213 PolarHBondContact O-N 3.49Å; P210-L214 VanDerWaalsContact O-CG 3.3Å; P210-L214 WeakPolarHBondContact O-CG 3.06Å; P210-L214 PolarHBondContact O-N 3.01Å
211L93.4Very high88.5Confident7 Ų740.9 Ų40.94%0.03723%0.233CC..Hα-helixtrans-69.6-38.3-179.4-64.3170.9000112.1P206 L208 T209 G213 L214 L215 L264 S268 I271P206-L211 HydrophobicContact CB-CD1 4.11Å; P206-L211 HydrophobicContact CG-CD1 4.06Å; L208-L211 PolarHBondContact O-N 3.11Å; T209-L211 VanDerWaalsContact C-N 3.29Å; T209-L211 PolarHBondContact O-N 3.08Å; L211-G213 VanDerWaalsContact C-N 3.32Å; L211-L214 HydrophobicContact CD2-CD1 4.43Å; L211-L214 PolarHBondContact O-N 2.65Å; L211-L215 WeakPolarHBondContact O-CB 3.37Å; L211-L215 PolarHBondContact O-N 3.2Å; L211-L264 HydrophobicContact CD2-CB 4Å; L211-S268 WeakPolarHBondContact CD1-OG 3.35Å; L211-I271 HydrophobicContact CB-CD1 4.39Å; L211-I271 HydrophobicContact CB-CG1 3.59Å; L211-I271 HydrophobicContact CB-CG2 4.43Å; L211-I271 HydrophobicContact CD1-CD1 4.12Å; L211-I271 HydrophobicContact CD1-CG1 3.87Å; L211-I271 HydrophobicContact CG-CG1 4.35Å
212L95.4Very high89Confident68 Ų6833.8 Ų33.836%0.35620%0.196SC..Hα-helixtrans-63.1-39.2169.5-75.2177.3000111.8L208 T209 L215 L216 L274L208-L212 HydrophobicContact CD1-CD1 4.04Å; L208-L212 HydrophobicContact CD1-CD2 4.27Å; L208-L212 HydrophobicContact CD1-CG 3.8Å; L208-L212 HydrophobicContact CD2-CD1 4Å; L208-L212 HydrophobicContact CG-CD1 3.62Å; L208-L212 HydrophobicContact CG-CG 3.88Å; L208-L212 WeakPolarHBondContact O-CG 3.41Å; L208-L212 PolarHBondContact O-N 2.99Å; T209-L212 PolarHBondContact O-N 3.16Å; L212-L215 PolarHBondContact O-N 3.37Å; L212-L216 WeakPolarHBondContact O-CB 3.29Å; L212-L216 PolarHBondContact O-N 3.32Å; L212-L274 HydrophobicContact CD2-CD1 3.81Å
213G96.1Very high89.6Confident1 Ų128.9 Ų28.91%0.0117%0.17CC..Hα-helixtrans-60.5-47.4173.700000112.5G179 T209 P210 L211 L215 L216 A217G179-G213 CarbonylContact C-O 3.49Å; G179-G213 VanDerWaalsContact CA-O 3.28Å; G179-G213 WeakPolarHBondContact CA-O 3.18Å; G179-G213 CarbonylContact O-C 3.21Å; G179-G213 VanDerWaalsContact O-C 3.29Å; G179-G213 VanDerWaalsContact O-CA 3.23Å; G179-G213 WeakPolarHBondContact O-CA 3.37Å; T209-G213 PolarHBondContact O-N 3.41Å; P210-G213 PolarHBondContact O-N 3.49Å; L211-G213 VanDerWaalsContact C-N 3.32Å; G213-L215 VanDerWaalsContact C-N 3.34Å; G213-L215 PolarHBondContact O-N 2.94Å; G213-L216 PolarHBondContact O-N 2.98Å; G213-A217 WeakPolarHBondContact O-CB 3.42Å; G213-A217 PolarHBondContact O-N 3.46Å
214L95.6Very high90.9Very high1 Ų127.6 Ų27.61%0.00516%0.163CC..Hα-helixtrans-64.1-37.4175.6-66.6171.3000111.9A183 F187 P210 L211 A217 A218 L257 L258 F261A183-L214 HydrophobicContact CB-CD2 3.91Å; A183-L214 HydrophobicContact CB-CG 3.95Å; F187-L214 HydrophobicContact CE2-CD1 4.46Å; P210-L214 VanDerWaalsContact O-CG 3.3Å; P210-L214 WeakPolarHBondContact O-CG 3.06Å; P210-L214 PolarHBondContact O-N 3.01Å; L211-L214 HydrophobicContact CD2-CD1 4.43Å; L211-L214 PolarHBondContact O-N 2.65Å; L214-A217 PolarHBondContact O-N 2.66Å; L214-A218 WeakPolarHBondContact O-CB 3.29Å; L214-A218 PolarHBondContact O-N 2.97Å; L214-L257 HydrophobicContact CB-CD2 3.85Å; L214-L257 HydrophobicContact CD2-CD1 4.16Å; L214-L257 HydrophobicContact CD2-CD2 3.63Å; L214-L257 HydrophobicContact CD2-CG 4.19Å; L214-L257 HydrophobicContact CG-CD2 4.23Å; L214-L258 HydrophobicContact CB-CD2 4.22Å; L214-F261 HydrophobicContact CD1-CB 4Å; L214-F261 HydrophobicContact CD1-CD1 4.41Å; L214-F261 HydrophobicContact CD1-CD2 3.83Å; L214-F261 HydrophobicContact CD1-CG 3.79Å; L214-F261 HydrophobicContact CD2-CD2 4.07Å; L214-F261 HydrophobicContact CD2-CE2 4.23Å
215L96.7Very high92.2Very high20 Ų2027.4 Ų27.411%0.10515%0.152CC..Hα-helixtrans-64.6-41.8174.3-175.7151.8000111.6L211 L212 G213 A218 A219 L274 T275 L278 M312L211-L215 WeakPolarHBondContact O-CB 3.37Å; L211-L215 PolarHBondContact O-N 3.2Å; L212-L215 PolarHBondContact O-N 3.37Å; G213-L215 VanDerWaalsContact C-N 3.34Å; G213-L215 PolarHBondContact O-N 2.94Å; L215-A218 PolarHBondContact O-N 3.38Å; L215-A219 VanDerWaalsContact O-CB 3.29Å; L215-A219 WeakPolarHBondContact O-CB 3.48Å; L215-A219 PolarHBondContact O-N 3.35Å; L215-L274 HydrophobicContact CD1-CB 4.06Å; L215-T275 HydrophobicContact CD1-CG2 3.49Å; L215-T275 VanDerWaalsContact CD1-CG2 3.49Å; L215-T275 HydrophobicContact CG-CG2 4.33Å; L215-L278 HydrophobicContact CD2-CD1 4.27Å; L215-M312 HydrophobicContact CD1-CE 4.48Å; L215-M312 HydrophobicContact CG-CE 4.21Å
216L97.4Very high93.3Very high65 Ų6521.4 Ų21.434%0.3413%0.126SC..Hα-helixtrans-64.9-42.7174.8-175.769000111.4L212 G213 A218 A219 G220 L227L212-L216 WeakPolarHBondContact O-CB 3.29Å; L212-L216 PolarHBondContact O-N 3.32Å; G213-L216 PolarHBondContact O-N 2.98Å; L216-A218 PolarHBondContact O-N 3.24Å; L216-A219 PolarHBondContact O-N 2.68Å; L216-G220 PolarHBondContact O-N 2.62Å; L216-L227 HydrophobicContact CD1-CD1 4.44Å
217A97Very high94.5Very high0 Ų021.6 Ų21.60%013%0.126CC..Hα-helixtrans-59-47.7174.900000111.2W142 G176 F180 G213 L214 A219 G220 K221W142-A217 HydrophobicContact CH2-CB 4.04Å; W142-A217 WeakPolarHBondContact CH2-O 3.36Å; W142-A217 HydrophobicContact CZ2-CB 3.82Å; W142-A217 WeakPolarHBondContact CZ2-O 3.3Å; G176-A217 VanDerWaalsContact O-CA 3.31Å; G176-A217 WeakPolarHBondContact O-CA 3.46Å; G176-A217 WeakPolarHBondContact O-CB 3.38Å; F180-A217 HydrophobicContact CB-CB 3.98Å; F180-A217 HydrophobicContact CD2-CB 4.3Å; G213-A217 WeakPolarHBondContact O-CB 3.42Å; G213-A217 PolarHBondContact O-N 3.46Å; L214-A217 PolarHBondContact O-N 2.66Å; A217-A219 PolarHBondContact O-N 3.14Å; A217-G220 PolarHBondContact O-N 2.96Å; A217-K221 PolarHBondContact O-N 3.23Å
218A96.4Very high95.1Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-61.7-42.9175.200000111.8L214 L215 L216 G220 S222 G254 L258L214-A218 WeakPolarHBondContact O-CB 3.29Å; L214-A218 PolarHBondContact O-N 2.97Å; L215-A218 PolarHBondContact O-N 3.38Å; L216-A218 PolarHBondContact O-N 3.24Å; A218-G220 VanDerWaalsContact C-N 3.32Å; A218-G220 PolarHBondContact O-N 3.03Å; A218-S222 VanDerWaalsContact O-CB 3.28Å; A218-S222 WeakPolarHBondContact O-CB 3.36Å; A218-S222 PolarHBondContact O-N 3.23Å; A218-S222 PolarHBondContact O-OG 3.05Å; A218-G254 VanDerWaalsContact CB-O 3.32Å; A218-G254 WeakPolarHBondContact CB-O 3.48Å; A218-L258 HydrophobicContact CB-CD1 3.47Å; A218-L258 VanDerWaalsContact CB-CD1 3.47Å; A218-L258 HydrophobicContact CB-CD2 4.33Å; A218-L258 HydrophobicContact CB-CG 3.72Å
219A96.7Very high95.3Very high6 Ų617 Ų175%0.0510%0.098CC..Hα-helixtrans-60.6-39.9179.100000112.6L215 L216 A217 A223 Q224 L227L215-A219 VanDerWaalsContact O-CB 3.29Å; L215-A219 WeakPolarHBondContact O-CB 3.48Å; L215-A219 PolarHBondContact O-N 3.35Å; L216-A219 PolarHBondContact O-N 2.68Å; A217-A219 PolarHBondContact O-N 3.14Å; A219-A223 PolarHBondContact O-N 3.33Å; A219-Q224 HydrophobicContact CB-CB 4.05Å; A219-Q224 HydrophobicContact CB-CG 4.35Å; A219-Q224 PolarHBondContact O-N 2.87Å; A219-L227 HydrophobicContact CB-CD1 4.39Å
220G95.3Very high95.4Very high0 Ų013.8 Ų13.80%08%0.079CC..Hα-helixtrans-65.1-60.4176.600000112.7L216 A217 A218 S222 A223 W230L216-G220 PolarHBondContact O-N 2.62Å; A217-G220 PolarHBondContact O-N 2.96Å; A218-G220 VanDerWaalsContact C-N 3.32Å; A218-G220 PolarHBondContact O-N 3.03Å; G220-S222 PolarHBondContact O-N 2.92Å; G220-A223 PolarHBondContact O-N 3.01Å; G220-W230 PolarHBondContact O-NE1 2.84Å; G220-W230 VanDerWaalsContact O-NE1 3.11Å
221K94.7Very high95.4Very high2 Ų213.8 Ų13.81%0.0098%0.079CC..Hα-helixtrans-69.4-30.7-176.8-74.2-72175.2168.40113.8W142 N173 A217 A223 W230 V251W142-K221 HydrophobicContact CD2-CG 4.06Å; W142-K221 VanDerWaalsContact CE2-CG 3.43Å; W142-K221 HydrophobicContact CE3-CG 4.3Å; W142-K221 HydrophobicContact CH2-CB 3.75Å; W142-K221 HydrophobicContact CH2-CG 3.39Å; W142-K221 HydrophobicContact CZ2-CB 3.91Å; W142-K221 HydrophobicContact CZ2-CD 4.22Å; W142-K221 HydrophobicContact CZ2-CG 3.08Å; W142-K221 HydrophobicContact CZ3-CB 4.36Å; W142-K221 HydrophobicContact CZ3-CG 3.99Å; W142-K221 VanDerWaalsContact NE1-CE 3.26Å; W142-K221 PolarHBondContact O-NZ 3.46Å; N173-K221 HydrophobicContact CB-CD 4.39Å; N173-K221 WeakPolarHBondContact OD1-CD 3.46Å; A217-K221 PolarHBondContact O-N 3.23Å; K221-A223 VanDerWaalsContact C-N 3.34Å; K221-W230 VanDerWaalsContact O-CZ2 3.32Å; K221-W230 WeakPolarHBondContact O-CZ2 3.4Å; K221-V251 WeakPolarHBondContact O-CA 3.42Å
222S95.2Very high95.4Very high0 Ų013.9 Ų13.90%08%0.08CC..THydrogen-bonded Turntrans-92.811.2-179.471.30000114.5A218 G220 Q224 V251A218-S222 VanDerWaalsContact O-CB 3.28Å; A218-S222 WeakPolarHBondContact O-CB 3.36Å; A218-S222 PolarHBondContact O-N 3.23Å; A218-S222 PolarHBondContact O-OG 3.05Å; G220-S222 PolarHBondContact O-N 2.92Å; S222-Q224 PolarHBondContact O-N 2.89Å; S222-Q224 VanDerWaalsContact OG-CG 3.3Å; S222-Q224 WeakPolarHBondContact OG-CG 3.35Å; S222-Q224 PolarHBondContact OG-NE2 3.19Å; S222-V251 VanDerWaalsContact CA-O 3.31Å; S222-V251 WeakPolarHBondContact CA-O 3.39Å; S222-V251 WeakPolarHBondContact CB-O 3.4Å
223A93.8Very high95.3Very high0 Ų011.9 Ų11.90%07%0.072CC..THydrogen-bonded Turntrans53.648.717600000113.1A219 G220 K221 H228 W230 L231 V251 S305A219-A223 PolarHBondContact O-N 3.33Å; G220-A223 PolarHBondContact O-N 3.01Å; K221-A223 VanDerWaalsContact C-N 3.34Å; A223-H228 WeakPolarHBondContact O-CB 3.27Å; A223-W230 HydrophobicContact CB-CZ2 4.01Å; A223-L231 HydrophobicContact CB-CB 3.7Å; A223-L231 HydrophobicContact CB-CD1 3.66Å; A223-L231 HydrophobicContact CB-CG 4.33Å; A223-V251 HydrophobicContact CB-CG1 4.38Å; A223-S305 PolarHBondContact O-OG 3.43Å
224Q96.8Very high95.2Very high1 Ų112 Ų121%0.0057%0.072CC..  trans-80.3176.3176-55.4-68.3-22.900111.1A219 S222 L227 H228 L278 T282 L308A219-Q224 HydrophobicContact CB-CB 4.05Å; A219-Q224 HydrophobicContact CB-CG 4.35Å; A219-Q224 PolarHBondContact O-N 2.87Å; S222-Q224 PolarHBondContact O-N 2.89Å; S222-Q224 VanDerWaalsContact OG-CG 3.3Å; S222-Q224 WeakPolarHBondContact OG-CG 3.35Å; S222-Q224 PolarHBondContact OG-NE2 3.19Å; Q224-L227 CarbonylContact O-C 3.28Å; Q224-L227 WeakPolarHBondContact O-CA 3.39Å; Q224-L227 PolarHBondContact O-N 2.98Å; Q224-H228 WeakPolarHBondContact O-CA 3.44Å; Q224-H228 WeakPolarHBondContact O-CB 3.32Å; Q224-H228 PolarHBondContact O-N 3.44Å; Q224-L278 HydrophobicContact CB-CD2 3.52Å; Q224-L278 HydrophobicContact CB-CG 4.32Å; Q224-L278 HydrophobicContact CG-CD2 3.62Å; Q224-T282 HydrophobicContact CB-CG2 3.89Å; Q224-T282 VanDerWaalsContact OE1-CG2 3.27Å; Q224-T282 PolarHBondContact OE1-OG1 3.13Å; Q224-L308 PolarHBondContact NE2-O 2.82Å
225L94.9Very high95.1Very high63 Ų6312.1 Ų12.133%0.337%0.073SC..THydrogen-bonded Turntrans-62144.6-171-161.582.5000109.3L227 I281 T282 F285L225-L227 PolarHBondContact O-N 3.43Å; L225-I281 HydrophobicContact CD1-CG2 4.11Å; L225-I281 HydrophobicContact CD2-CB 4.26Å; L225-I281 HydrophobicContact CD2-CG2 3.41Å; L225-I281 VanDerWaalsContact CD2-CG2 3.41Å; L225-I281 HydrophobicContact CG-CG2 4.26Å; L225-T282 HydrophobicContact CB-CG2 3.54Å; L225-F285 HydrophobicContact CD1-CB 3.86Å; L225-F285 HydrophobicContact CD1-CD1 3.94Å; L225-F285 HydrophobicContact CD1-CD2 4.36Å; L225-F285 HydrophobicContact CD1-CG 3.77Å
226G94.1Very high94.9Very high23 Ų2314.3 Ų14.324%0.2378%0.083CC..THydrogen-bonded Turntrans83.1-43.2-167.700000113.2Y527G226-Y527 PolarHBondContact O-OH 2.97Å
227L95.9Very high94.6Very high22 Ų2211.3 Ų11.312%0.1157%0.067CC..SBendtrans-111.919-178.8-51176.5000113.2Y172 I175 L216 A219 Q224 L225 P229 W230Y172-L227 HydrophobicContact CD1-CB 3.77Å; Y172-L227 HydrophobicContact CD1-CD2 3.51Å; Y172-L227 HydrophobicContact CD1-CG 4.2Å; Y172-L227 HydrophobicContact CE1-CB 4.34Å; Y172-L227 HydrophobicContact CE1-CD2 3.82Å; I175-L227 HydrophobicContact CB-CD2 4.45Å; I175-L227 HydrophobicContact CD1-CD2 4.07Å; I175-L227 HydrophobicContact CG2-CD1 4.01Å; I175-L227 HydrophobicContact CG2-CD2 4Å; L216-L227 HydrophobicContact CD1-CD1 4.44Å; A219-L227 HydrophobicContact CB-CD1 4.39Å; Q224-L227 CarbonylContact O-C 3.28Å; Q224-L227 WeakPolarHBondContact O-CA 3.39Å; Q224-L227 PolarHBondContact O-N 2.98Å; L225-L227 PolarHBondContact O-N 3.43Å; L227-P229 VanDerWaalsContact C-CD 3.5Å; L227-W230 PolarHBondContact O-NE1 3.48Å
228H95Very high94.5Very high5 Ų511.3 Ų11.32%0.0237%0.067CC..  trans-78.4-27.9-177.566.2-81.5000116.9A223 Q224 W230 L231 P232 F285 Y527A223-H228 WeakPolarHBondContact O-CB 3.27Å; Q224-H228 WeakPolarHBondContact O-CA 3.44Å; Q224-H228 WeakPolarHBondContact O-CB 3.32Å; Q224-H228 PolarHBondContact O-N 3.44Å; H228-W230 PolarHBondContact O-N 3.02Å; H228-L231 PolarHBondContact O-N 3.09Å; H228-P232 VanDerWaalsContact O-CD 3.26Å; H228-P232 WeakPolarHBondContact O-CD 3.46Å; H228-F285 AromaticContact CD2-CE1 3.56Å; H228-F285 AromaticContact CE1-CE1 3.76Å; H228-F285 AromaticContact NE2-CE1 3.21Å; H228-F285 WeakPolarHBondContact NE2-CE1 3.35Å; H228-F285 AromaticContact NE2-CZ 3.72Å; H228-Y527 AromaticContact CE1-CD1 3.69Å; H228-Y527 AromaticContact CE1-CG 3.87Å; H228-Y527 AromaticContact NE2-CD1 4Å
229P95.1Very high94.4Very high5 Ų511.3 Ų11.33%0.0327%0.067CC..THydrogen-bonded Turntrans-65.5-17.3-166.6-27.136.7000116.3Q168 L227 L231 P232 S233 Y527 P528Q168-P229 PolarHBondContact NE2-O 3.42Å; L227-P229 VanDerWaalsContact C-CD 3.5Å; P229-L231 VanDerWaalsContact C-N 3.29Å; P229-P232 WeakPolarHBondContact O-CD 3.34Å; P229-S233 PolarHBondContact O-OG 2.91Å; P229-Y527 HydrophobicContact CG-CD1 3.44Å; P229-Y527 VanDerWaalsContact CG-CD1 3.44Å; P229-Y527 HydrophobicContact CG-CE1 3.51Å; P229-P528 HydrophobicContact CB-CG 4.27Å; P229-P528 HydrophobicContact CG-CG 4.45Å
230W94.9Very high94.3Very high0 Ų011 Ų110%07%0.065CC..Hα-helixtrans-71.4-26.8-179.571.3-95.7000112.7Q168 A169 Y172 G220 K221 A223 L227 H228 S233 A234 M250 V251Q168-W230 HydrophobicContact CG-CB 4.29Å; A169-W230 HydrophobicContact CB-CB 4.34Å; A169-W230 HydrophobicContact CB-CD2 4.49Å; A169-W230 HydrophobicContact CB-CE3 3.95Å; Y172-W230 HydrophobicContact CD2-CB 3.7Å; Y172-W230 HydrophobicContact CD2-CG 4.28Å; Y172-W230 HydrophobicContact CE2-CB 4.4Å; Y172-W230 HydrophobicContact CG-CB 4.28Å; Y172-W230 AromaticContact CG-CD1 3.82Å; Y172-W230 HydrophobicContact CG-CG 4.39Å; G220-W230 PolarHBondContact O-NE1 2.84Å; G220-W230 VanDerWaalsContact O-NE1 3.11Å; K221-W230 VanDerWaalsContact O-CZ2 3.32Å; K221-W230 WeakPolarHBondContact O-CZ2 3.4Å; A223-W230 HydrophobicContact CB-CZ2 4.01Å; L227-W230 PolarHBondContact O-NE1 3.48Å; H228-W230 PolarHBondContact O-N 3.02Å; W230-S233 WeakPolarHBondContact CA-OG 3.46Å; W230-S233 PolarHBondContact O-N 3.38Å; W230-S233 PolarHBondContact O-OG 3.45Å; W230-S233 VanDerWaalsContact O-OG 3.09Å; W230-A234 HydrophobicContact CE3-CB 4.46Å; W230-A234 WeakPolarHBondContact O-CB 3.49Å; W230-A234 PolarHBondContact O-N 2.91Å; W230-M250 HydrophobicContact CE3-CE 4.46Å; W230-M250 HydrophobicContact CH2-CE 3.53Å; W230-M250 HydrophobicContact CH2-CG 4.24Å; W230-M250 HydrophobicContact CH2-SD 3.77Å; W230-M250 HydrophobicContact CZ2-CE 4.32Å; W230-M250 HydrophobicContact CZ3-CE 3.61Å; W230-M250 HydrophobicContact CZ3-SD 3.83Å; W230-V251 HydrophobicContact CH2-CG2 3.99Å
231L93.9Very high94.3Very high1 Ų111.2 Ų11.21%0.0057%0.066CC..Hα-helixtrans-70.6-45.3-176.7-177.1155.2000111.7A223 H228 P229 A234 M235 V251 A301A223-L231 HydrophobicContact CB-CB 3.7Å; A223-L231 HydrophobicContact CB-CD1 3.66Å; A223-L231 HydrophobicContact CB-CG 4.33Å; H228-L231 PolarHBondContact O-N 3.09Å; P229-L231 VanDerWaalsContact C-N 3.29Å; L231-A234 PolarHBondContact O-N 2.91Å; L231-M235 WeakPolarHBondContact O-CE 3.34Å; L231-V251 HydrophobicContact CD1-CB 4.42Å; L231-V251 HydrophobicContact CD1-CG1 3.7Å; L231-V251 HydrophobicContact CD1-CG2 3.82Å; L231-A301 HydrophobicContact CD2-CB 3.59Å; L231-A301 WeakPolarHBondContact CD2-O 3.33Å
232P93.3Very high94.2Very high8 Ų811.2 Ų11.25%0.0527%0.066CC..Hα-helixtrans-64.6-34.8173-24.934.8000114H228 P229 M235 F302H228-P232 VanDerWaalsContact O-CD 3.26Å; H228-P232 WeakPolarHBondContact O-CD 3.46Å; P229-P232 WeakPolarHBondContact O-CD 3.34Å; P232-M235 WeakPolarHBondContact O-CB 3.5Å; P232-M235 WeakPolarHBondContact O-CG 3.4Å; P232-M235 PolarHBondContact O-N 3.05Å; P232-F302 HydrophobicContact CB-CE1 4.34Å; P232-F302 HydrophobicContact CB-CE2 4.03Å; P232-F302 HydrophobicContact CB-CZ 3.67Å; P232-F302 HydrophobicContact CG-CD1 4.19Å; P232-F302 HydrophobicContact CG-CE1 3.36Å; P232-F302 HydrophobicContact CG-CE2 3.92Å; P232-F302 HydrophobicContact CG-CZ 3.17Å
233S92.8Very high94Very high27 Ų2711.2 Ų11.219%0.1897%0.066CC..Hα-helixtrans-74.8-27.9178.458.80000112.8A165 Q168 P229 W230 M235 E236A165-S233 WeakPolarHBondContact CB-O 3.42Å; Q168-S233 PolarHBondContact OE1-OG 3.46Å; P229-S233 PolarHBondContact O-OG 2.91Å; W230-S233 WeakPolarHBondContact CA-OG 3.46Å; W230-S233 PolarHBondContact O-N 3.38Å; W230-S233 PolarHBondContact O-OG 3.45Å; W230-S233 VanDerWaalsContact O-OG 3.09Å; S233-M235 PolarHBondContact O-N 3.03Å; S233-E236 PolarHBondContact O-N 3.44Å; S233-E236 VanDerWaalsContact O-N 3.14Å
234A93Very high93.9Very high2 Ų211.3 Ų11.32%0.0177%0.067CC..G310 helixtrans-59.4-13.5172.300000113.8I153 W230 L231 E236 G237I153-A234 HydrophobicContact CD1-CB 3.76Å; I153-A234 HydrophobicContact CG1-CB 4.18Å; W230-A234 HydrophobicContact CE3-CB 4.46Å; W230-A234 WeakPolarHBondContact O-CB 3.49Å; W230-A234 PolarHBondContact O-N 2.91Å; L231-A234 PolarHBondContact O-N 2.91Å; A234-E236 PolarHBondContact O-N 3.25Å; A234-G237 PolarHBondContact O-N 3.02Å; A234-G237 VanDerWaalsContact O-N 3.13Å
235M94.2Very high93.5Very high4 Ų411.3 Ų11.32%0.027%0.067CC..G310 helixtrans-68-5.7173.9-60.2-58.3123.600114.3L231 P232 S233 H246 K297 K298 A301 F338L231-M235 WeakPolarHBondContact O-CE 3.34Å; P232-M235 WeakPolarHBondContact O-CB 3.5Å; P232-M235 WeakPolarHBondContact O-CG 3.4Å; P232-M235 PolarHBondContact O-N 3.05Å; S233-M235 PolarHBondContact O-N 3.03Å; M235-H246 WeakPolarHBondContact CE-CD2 3.21Å; M235-H246 WeakPolarHBondContact CE-NE2 3.46Å; M235-K297 HydrophobicContact CB-CB 4.1Å; M235-K297 HydrophobicContact CG-CB 4.1Å; M235-K297 WeakPolarHBondContact O-CE 3.45Å; M235-K297 PolarHBondContact O-NZ 3.41Å; M235-K297 HydrophobicContact SD-CB 3.95Å; M235-K298 HydrophobicContact CB-CG 4.49Å; M235-K298 HydrophobicContact CG-CG 4.39Å; M235-A301 HydrophobicContact CE-CB 3.49Å; M235-A301 VanDerWaalsContact CE-CB 3.49Å; M235-A301 HydrophobicContact CG-CB 3.85Å; M235-A301 HydrophobicContact SD-CB 3.79Å; M235-F338 HydrophobicContact CE-CE1 4.48Å; M235-F338 HydrophobicContact CE-CZ 4.31Å; M235-F338 HydrophobicContact SD-CE1 3.8Å; M235-F338 HydrophobicContact SD-CZ 4.19Å
236E91.9Very high92.7Very high67 Ų678.4 Ų8.431%0.3135%0.051SC..G310 helixtrans-68.1-25.2167.5-72.2-58.3152.600112.7D161 A162 S233 A234D161-E236 HydrophobicContact CB-CG 4.48Å; A162-E236 HydrophobicContact CB-CB 4.42Å; S233-E236 PolarHBondContact O-N 3.44Å; S233-E236 VanDerWaalsContact O-N 3.14Å; A234-E236 PolarHBondContact O-N 3.25Å
237G92.4Very high91.9Very high1 Ų17.3 Ų7.31%0.014%0.04CC..SBendtrans-65.1161.3175.200000112.7A234 K297A234-G237 PolarHBondContact O-N 3.02Å; A234-G237 VanDerWaalsContact O-N 3.13Å; G237-K297 PolarHBondContact O-NZ 3.37Å
238P94.6Very high90.9Very high1 Ų16.3 Ų6.31%0.0064%0.035CC..  trans-62.4152-179.126.6-33.8000111.8Y105 M106 F115 W155 W156 P240 V241 S242Y105-P238 HydrophobicContact CE1-CB 4.39Å; M106-P238 HydrophobicContact SD-CB 4.19Å; F115-P238 HydrophobicContact CE2-CG 3.88Å; W155-P238 HydrophobicContact CB-CG 4.36Å; W156-P238 HydrophobicContact CH2-CB 3.98Å; W156-P238 HydrophobicContact CZ2-CB 4.48Å; W156-P238 HydrophobicContact CZ3-CB 4.35Å; P238-P240 VanDerWaalsContact C-CD 3.43Å; P238-V241 HydrophobicContact CG-CB 4.09Å; P238-V241 HydrophobicContact CG-CG2 3.67Å; P238-V241 WeakPolarHBondContact O-CB 3.49Å; P238-V241 PolarHBondContact O-N 3.03Å; P238-V241 VanDerWaalsContact O-N 3.08Å; P238-S242 PolarHBondContact O-N 3.34Å; P238-S242 VanDerWaalsContact O-N 3.11Å
239T94.3Very high90.6Very high0 Ų06.1 Ų6.10%03%0.034CC..Hα-helixtrans-60.6-36.6-172.261.40000114.8Y105 V241 S242 A243 K297 I345Y105-T239 WeakPolarHBondContact CD2-OG1 3.32Å; Y105-T239 HydrophobicContact CE2-CG2 4.19Å; Y105-T239 WeakPolarHBondContact CE2-OG1 3.44Å; T239-V241 VanDerWaalsContact C-N 3.28Å; T239-V241 PolarHBondContact O-N 3Å; T239-S242 VanDerWaalsContact CA-OG 3.32Å; T239-S242 WeakPolarHBondContact CA-OG 3.24Å; T239-S242 PolarHBondContact O-N 2.85Å; T239-S242 PolarHBondContact O-OG 3.06Å; T239-A243 WeakPolarHBondContact O-CB 3.2Å; T239-A243 PolarHBondContact O-N 2.64Å; T239-K297 HydrophobicContact CG2-CD 3.91Å; T239-I345 HydrophobicContact CG2-CD1 3.98Å
240P95.1Very high90.4Very high0 Ų05.9 Ų5.90%03%0.032CC..Hα-helixtrans-63.3-34.8175.8-17.430.1000112.4I98 F101 Y105 F115 P238 A243 L244I98-P240 HydrophobicContact CG2-CB 3.91Å; I98-P240 WeakPolarHBondContact CG2-O 3.24Å; F101-P240 HydrophobicContact CD1-CB 4.17Å; F101-P240 HydrophobicContact CD1-CG 3.87Å; F101-P240 HydrophobicContact CE1-CB 4.47Å; F101-P240 HydrophobicContact CE1-CG 3.84Å; Y105-P240 HydrophobicContact CD1-CG 3.84Å; Y105-P240 HydrophobicContact CG-CG 4.1Å; F115-P240 HydrophobicContact CZ-CB 4.21Å; P238-P240 VanDerWaalsContact C-CD 3.43Å; P240-A243 PolarHBondContact O-N 3.33Å; P240-L244 PolarHBondContact O-N 3.01Å; P240-L244 VanDerWaalsContact O-N 3.1Å
241V93.8Very high90.4Very high4 Ų45.9 Ų5.92%0.0243%0.033CC..Hα-helixtrans-65.9-49.7175.1170.20000109.9F115 L152 P238 T239 A243 L244 L245F115-V241 HydrophobicContact CE2-CG2 3.47Å; F115-V241 VanDerWaalsContact CE2-CG2 3.47Å; F115-V241 HydrophobicContact CZ-CG2 3.65Å; L152-V241 HydrophobicContact CB-CB 4.41Å; L152-V241 HydrophobicContact CB-CG1 3.6Å; L152-V241 HydrophobicContact CB-CG2 3.87Å; L152-V241 HydrophobicContact CD1-CG1 4.44Å; L152-V241 HydrophobicContact CD1-CG2 4.4Å; L152-V241 HydrophobicContact CD2-CG2 3.91Å; L152-V241 HydrophobicContact CG-CG2 4.28Å; P238-V241 HydrophobicContact CG-CB 4.09Å; P238-V241 HydrophobicContact CG-CG2 3.67Å; P238-V241 WeakPolarHBondContact O-CB 3.49Å; P238-V241 PolarHBondContact O-N 3.03Å; P238-V241 VanDerWaalsContact O-N 3.08Å; T239-V241 VanDerWaalsContact C-N 3.28Å; T239-V241 PolarHBondContact O-N 3Å; V241-A243 PolarHBondContact O-N 3.22Å; V241-L244 PolarHBondContact O-N 2.99Å; V241-L245 HydrophobicContact CG1-CD1 3.44Å; V241-L245 VanDerWaalsContact CG1-CD1 3.44Å; V241-L245 HydrophobicContact CG1-CG 3.83Å; V241-L245 WeakPolarHBondContact O-CB 3.39Å; V241-L245 WeakPolarHBondContact O-CG 3.38Å; V241-L245 PolarHBondContact O-N 3.05Å
242S92.3Very high90.4Very high1 Ų16 Ų61%0.0073%0.033CC..Hα-helixtrans-60.5-37.9178.459.50000112.1P238 T239 L244 H246P238-S242 PolarHBondContact O-N 3.34Å; P238-S242 VanDerWaalsContact O-N 3.11Å; T239-S242 VanDerWaalsContact CA-OG 3.32Å; T239-S242 WeakPolarHBondContact CA-OG 3.24Å; T239-S242 PolarHBondContact O-N 2.85Å; T239-S242 PolarHBondContact O-OG 3.06Å; S242-L244 VanDerWaalsContact C-N 3.29Å; S242-L244 PolarHBondContact O-N 3.5Å; S242-H246 WeakPolarHBondContact O-CB 3.49Å; S242-H246 PolarHBondContact O-CD2 2.91Å; S242-H246 PolarHBondContact O-N 3.44Å; S242-H246 VanDerWaalsContact O-N 3.14Å
243A91.9Very high90.5Very high0 Ų05.6 Ų5.60%03%0.031CC..Hα-helixtrans-59.4-41.7175.100000111.2I98 T239 P240 V241 S247 F338I98-A243 HydrophobicContact CD1-CB 4.03Å; I98-A243 HydrophobicContact CG1-CB 4.29Å; T239-A243 WeakPolarHBondContact O-CB 3.2Å; T239-A243 PolarHBondContact O-N 2.64Å; P240-A243 PolarHBondContact O-N 3.33Å; V241-A243 PolarHBondContact O-N 3.22Å; A243-S247 WeakPolarHBondContact O-CB 3.48Å; A243-S247 PolarHBondContact O-N 3.33Å; A243-S247 PolarHBondContact O-OG 3.09Å; A243-F338 HydrophobicContact CB-CB 3.54Å; A243-F338 HydrophobicContact CB-CG 4.29Å
244L92Very high90.6Very high3 Ų34.3 Ų4.32%0.0162%0.022CC..Hα-helixtrans-78.2-51-176.3-162.6152000112.5T95 I98 L119 F122 P240 V241 S242 H246 S248 T249T95-L244 HydrophobicContact CG2-CD1 3.6Å; T95-L244 HydrophobicContact CG2-CG 4.11Å; I98-L244 HydrophobicContact CD1-CB 3.64Å; I98-L244 HydrophobicContact CD1-CD1 4.23Å; I98-L244 HydrophobicContact CD1-CG 3.99Å; I98-L244 HydrophobicContact CG2-CB 4.41Å; I98-L244 HydrophobicContact CG2-CD1 4.31Å; L119-L244 HydrophobicContact CD1-CD1 4.09Å; L119-L244 HydrophobicContact CD2-CD1 3.17Å; L119-L244 HydrophobicContact CG-CD1 3.67Å; F122-L244 HydrophobicContact CD1-CD2 3.19Å; F122-L244 HydrophobicContact CE1-CD2 3.03Å; F122-L244 HydrophobicContact CG-CD2 4.29Å; F122-L244 HydrophobicContact CZ-CD2 4.01Å; P240-L244 PolarHBondContact O-N 3.01Å; P240-L244 VanDerWaalsContact O-N 3.1Å; V241-L244 PolarHBondContact O-N 2.99Å; S242-L244 VanDerWaalsContact C-N 3.29Å; S242-L244 PolarHBondContact O-N 3.5Å; L244-H246 PolarHBondContact O-N 3.28Å; L244-S248 PolarHBondContact O-OG 3.03Å; L244-T249 HydrophobicContact CD2-CG2 3.93Å; L244-T249 WeakPolarHBondContact CD2-OG1 3.36Å; L244-T249 PolarHBondContact O-OG1 3.36Å
245L87.4Confident90.7Very high1 Ų14.2 Ų4.21%0.0052%0.021CC..Hα-helixtrans-62-42.9-175.8-66.6-175.3000111.6F122 I153 V241 M250 V251F122-L245 HydrophobicContact CD2-CD2 3.76Å; F122-L245 HydrophobicContact CE1-CD2 4.05Å; F122-L245 HydrophobicContact CE2-CD2 3.09Å; F122-L245 HydrophobicContact CG-CD2 4.46Å; F122-L245 HydrophobicContact CZ-CD2 3.29Å; I153-L245 HydrophobicContact CG1-CD1 4.29Å; V241-L245 HydrophobicContact CG1-CD1 3.44Å; V241-L245 VanDerWaalsContact CG1-CD1 3.44Å; V241-L245 HydrophobicContact CG1-CG 3.83Å; V241-L245 WeakPolarHBondContact O-CB 3.39Å; V241-L245 WeakPolarHBondContact O-CG 3.38Å; V241-L245 PolarHBondContact O-N 3.05Å; L245-M250 HydrophobicContact CB-CB 4.48Å; L245-M250 HydrophobicContact CD2-CB 4.23Å; L245-M250 HydrophobicContact CD2-SD 4.43Å; L245-M250 PolarHBondContact O-N 3.03Å; L245-V251 PolarHBondContact O-N 3.38Å
246H79.4Confident90.8Very high2 Ų24.1 Ų4.11%0.0092%0.02CC..Hα-helixtrans-99-9.2-169.4-53-65.7000114.6M235 S242 L244 V251 T304 F338M235-H246 WeakPolarHBondContact CE-CD2 3.21Å; M235-H246 WeakPolarHBondContact CE-NE2 3.46Å; S242-H246 WeakPolarHBondContact O-CB 3.49Å; S242-H246 PolarHBondContact O-CD2 2.91Å; S242-H246 PolarHBondContact O-N 3.44Å; S242-H246 VanDerWaalsContact O-N 3.14Å; L244-H246 PolarHBondContact O-N 3.28Å; H246-V251 HydrophobicContact CB-CG2 4.45Å; H246-V251 WeakPolarHBondContact ND1-CG2 3.27Å; H246-T304 HydrophobicContact CB-CG2 4.45Å; H246-T304 WeakPolarHBondContact O-CG2 3.35Å; H246-F338 HydrophobicContact CB-CE2 3.91Å; H246-F338 HydrophobicContact CB-CZ 4.11Å
247S76Confident91Very high0 Ų00.9 Ų0.90%01%0.005CC..Hα-helixtrans-88.3-53.1174.864.80000112.9A243 H330A243-S247 WeakPolarHBondContact O-CB 3.48Å; A243-S247 PolarHBondContact O-N 3.33Å; A243-S247 PolarHBondContact O-OG 3.09Å; S247-H330 PolarHBondContact O-ND1 3.21Å; S247-H330 VanDerWaalsContact O-ND1 3.08Å
248S75.3Confident91.1Very high0 Ų01.4 Ų1.40%01%0.008CC..THydrogen-bonded Turntrans-128.3-21.9-157.7470000113.7F87 L244F87-S248 WeakPolarHBondContact CE2-O 3.36Å; F87-S248 WeakPolarHBondContact CZ-O 3.26Å; L244-S248 PolarHBondContact O-OG 3.03Å
249T88.1Confident91.2Very high1 Ų11.4 Ų1.41%0.0061%0.008CC..SBendtrans-119.3-84.3-161.257.20000114.2F122 M126 L244 V251 V252 A253F122-T249 VanDerWaalsContact CE1-CB 3.42Å; F122-T249 HydrophobicContact CE1-CG2 3.82Å; F122-T249 WeakPolarHBondContact CE1-OG1 3.28Å; F122-T249 WeakPolarHBondContact CZ-OG1 3.49Å; M126-T249 HydrophobicContact CB-CG2 4.45Å; M126-T249 WeakPolarHBondContact CE-O 3.4Å; M126-T249 HydrophobicContact CG-CG2 3.86Å; L244-T249 HydrophobicContact CD2-CG2 3.93Å; L244-T249 WeakPolarHBondContact CD2-OG1 3.36Å; L244-T249 PolarHBondContact O-OG1 3.36Å; T249-V251 PolarHBondContact O-N 3.17Å; T249-V252 PolarHBondContact O-N 3.17Å; T249-A253 PolarHBondContact O-N 3.24Å
250M92.4Very high91.1Very high0 Ų02.7 Ų2.70%01%0.013CC..THydrogen-bonded Turntrans-61.3-50.2-167.4177.4-177.9-17700112.5F122 V145 S149 N173 W230 L245 V252 A253F122-M250 HydrophobicContact CE2-CB 4.45Å; F122-M250 HydrophobicContact CZ-CB 4.14Å; V145-M250 HydrophobicContact CG1-CB 3.76Å; V145-M250 HydrophobicContact CG1-CG 3.81Å; S149-M250 WeakPolarHBondContact CB-SD 3.15Å; S149-M250 WeakPolarHBondContact OG-CE 3.42Å; N173-M250 WeakPolarHBondContact ND2-CE 3.17Å; W230-M250 HydrophobicContact CE3-CE 4.46Å; W230-M250 HydrophobicContact CH2-CE 3.53Å; W230-M250 HydrophobicContact CH2-CG 4.24Å; W230-M250 HydrophobicContact CH2-SD 3.77Å; W230-M250 HydrophobicContact CZ2-CE 4.32Å; W230-M250 HydrophobicContact CZ3-CE 3.61Å; W230-M250 HydrophobicContact CZ3-SD 3.83Å; L245-M250 HydrophobicContact CB-CB 4.48Å; L245-M250 HydrophobicContact CD2-CB 4.23Å; L245-M250 HydrophobicContact CD2-SD 4.43Å; L245-M250 PolarHBondContact O-N 3.03Å; M250-V252 VanDerWaalsContact C-N 3.26Å; M250-V252 PolarHBondContact O-N 2.84Å; M250-A253 WeakPolarHBondContact O-CB 3.06Å; M250-A253 PolarHBondContact O-N 3.24Å
251V94.6Very high90.9Very high1 Ų13.1 Ų3.11%0.0061%0.014CC..THydrogen-bonded Turntrans-74.2-24.4-172.4-157.60000111.9K221 S222 A223 W230 L231 L245 H246 T249 L308K221-V251 WeakPolarHBondContact O-CA 3.42Å; S222-V251 VanDerWaalsContact CA-O 3.31Å; S222-V251 WeakPolarHBondContact CA-O 3.39Å; S222-V251 WeakPolarHBondContact CB-O 3.4Å; A223-V251 HydrophobicContact CB-CG1 4.38Å; W230-V251 HydrophobicContact CH2-CG2 3.99Å; L231-V251 HydrophobicContact CD1-CB 4.42Å; L231-V251 HydrophobicContact CD1-CG1 3.7Å; L231-V251 HydrophobicContact CD1-CG2 3.82Å; L245-V251 PolarHBondContact O-N 3.38Å; H246-V251 HydrophobicContact CB-CG2 4.45Å; H246-V251 WeakPolarHBondContact ND1-CG2 3.27Å; T249-V251 PolarHBondContact O-N 3.17Å; V251-L308 HydrophobicContact CB-CD1 3.85Å; V251-L308 HydrophobicContact CG1-CD1 3.11Å; V251-L308 HydrophobicContact CG1-CD2 4.3Å; V251-L308 HydrophobicContact CG1-CG 4.3Å
252V94.4Very high90.7Very high2 Ų24 Ų41%0.0122%0.019CC..THydrogen-bonded Turntrans-76.1-27.8177171.40000111.7F87 T249 M250 G254 I255 F256 L308 I327F87-V252 HydrophobicContact CE2-CG1 4.38Å; T249-V252 PolarHBondContact O-N 3.17Å; M250-V252 VanDerWaalsContact C-N 3.26Å; M250-V252 PolarHBondContact O-N 2.84Å; V252-G254 PolarHBondContact O-N 3.09Å; V252-G254 VanDerWaalsContact O-N 3.13Å; V252-I255 PolarHBondContact O-N 2.8Å; V252-F256 WeakPolarHBondContact O-CB 3.41Å; V252-F256 PolarHBondContact O-N 3.4Å; V252-L308 HydrophobicContact CG2-CD2 4.23Å; V252-I327 HydrophobicContact CB-CG2 4.47Å; V252-I327 HydrophobicContact CG1-CB 4.23Å; V252-I327 HydrophobicContact CG1-CD1 3.71Å; V252-I327 HydrophobicContact CG1-CG1 3.84Å; V252-I327 HydrophobicContact CG1-CG2 3.36Å; V252-I327 HydrophobicContact CG2-CG2 4.3Å
253A94.3Very high90.6Very high1 Ų17.3 Ų7.31%0.0084%0.04CC..Hα-helixtrans-54.4-36.7-175.100000113.8M126 L129 W142 T249 M250 L257M126-A253 HydrophobicContact CE-CB 4.47Å; L129-A253 HydrophobicContact CD1-CB 3.77Å; L129-A253 HydrophobicContact CD2-CB 4.26Å; W142-A253 HydrophobicContact CZ3-CB 4.42Å; T249-A253 PolarHBondContact O-N 3.24Å; M250-A253 WeakPolarHBondContact O-CB 3.06Å; M250-A253 PolarHBondContact O-N 3.24Å; A253-L257 WeakPolarHBondContact O-CB 3.5Å; A253-L257 PolarHBondContact O-N 2.89Å
254G94.3Very high90.4Very high0 Ų07.6 Ų7.60%04%0.041CC..Hα-helixtrans-65.6-42.3176.700000113.6A218 V252 L257 L258A218-G254 VanDerWaalsContact CB-O 3.32Å; A218-G254 WeakPolarHBondContact CB-O 3.48Å; V252-G254 PolarHBondContact O-N 3.09Å; V252-G254 VanDerWaalsContact O-N 3.13Å; G254-L257 PolarHBondContact O-N 3.17Å; G254-L258 PolarHBondContact O-N 2.94Å
255I96.3Very high90.3Very high0 Ų08 Ų80%05%0.045CC..Hα-helixtrans-72.3-39.8177.8-64.3160.8000109.8V252 L257 L258 I259 L308 M311 I315 I327V252-I255 PolarHBondContact O-N 2.8Å; I255-L257 VanDerWaalsContact C-N 3.28Å; I255-L257 PolarHBondContact O-N 3.11Å; I255-L258 PolarHBondContact O-N 3.46Å; I255-L258 VanDerWaalsContact O-N 3.12Å; I255-I259 HydrophobicContact CG2-CD1 3.94Å; I255-I259 WeakPolarHBondContact O-CG1 3.43Å; I255-I259 PolarHBondContact O-N 3.19Å; I255-L308 HydrophobicContact CD1-CB 3.82Å; I255-L308 HydrophobicContact CD1-CD2 3.34Å; I255-L308 HydrophobicContact CD1-CG 4.17Å; I255-M311 HydrophobicContact CD1-CB 3.86Å; I255-M311 HydrophobicContact CD1-SD 3.88Å; I255-M311 HydrophobicContact CG2-CB 3.97Å; I255-I315 HydrophobicContact CG2-CD1 3.58Å; I255-I327 HydrophobicContact CB-CD1 4.44Å; I255-I327 HydrophobicContact CG2-CD1 3.85Å
256F96.1Very high90.3Very high1 Ų112.3 Ų12.30%0.0047%0.065CC..Hα-helixtrans-58-40.8174.3-176.2-94.2000112.1F83 L129 V130 V252 I259 R260 F324F83-F256 HydrophobicContact CB-CE2 3.86Å; F83-F256 HydrophobicContact CB-CZ 4.26Å; L129-F256 HydrophobicContact CD2-CD1 3.95Å; L129-F256 HydrophobicContact CD2-CE1 4.37Å; V130-F256 HydrophobicContact CB-CE1 4.31Å; V130-F256 HydrophobicContact CB-CZ 4.08Å; V130-F256 HydrophobicContact CG1-CE1 4.4Å; V130-F256 HydrophobicContact CG1-CE2 4.1Å; V130-F256 HydrophobicContact CG1-CZ 3.68Å; V130-F256 HydrophobicContact CG2-CE1 4.3Å; V130-F256 HydrophobicContact CG2-CZ 4.22Å; V130-F256 WeakPolarHBondContact O-CZ 3.34Å; V252-F256 WeakPolarHBondContact O-CB 3.41Å; V252-F256 PolarHBondContact O-N 3.4Å; F256-I259 PolarHBondContact O-N 2.89Å; F256-R260 HydrophobicContact CD1-CG 4.08Å; F256-R260 HydrophobicContact CE1-CG 3.73Å; F256-R260 HydrophobicContact CZ-CG 4.19Å; F256-R260 WeakPolarHBondContact O-CG 3.47Å; F256-R260 PolarHBondContact O-N 3.17Å; F256-F324 HydrophobicContact CD2-CE2 4.39Å; F256-F324 HydrophobicContact CE2-CE2 4.19Å
257L95.8Very high90.7Very high0 Ų016.4 Ų16.40%09%0.087CC..Hα-helixtrans-59.6-45.6173.6171.6154.3000111.8L138 W142 F180 L214 A253 G254 I255 I259 R260 F261L138-L257 HydrophobicContact CD2-CD1 4.09Å; W142-L257 HydrophobicContact CE3-CD1 4.25Å; W142-L257 HydrophobicContact CH2-CD1 4.13Å; W142-L257 HydrophobicContact CZ3-CB 4.23Å; W142-L257 HydrophobicContact CZ3-CD1 3.74Å; F180-L257 HydrophobicContact CD2-CD1 3.58Å; F180-L257 HydrophobicContact CE2-CD1 3.31Å; F180-L257 HydrophobicContact CZ-CD1 4.35Å; L214-L257 HydrophobicContact CB-CD2 3.85Å; L214-L257 HydrophobicContact CD2-CD1 4.16Å; L214-L257 HydrophobicContact CD2-CD2 3.63Å; L214-L257 HydrophobicContact CD2-CG 4.19Å; L214-L257 HydrophobicContact CG-CD2 4.23Å; A253-L257 WeakPolarHBondContact O-CB 3.5Å; A253-L257 PolarHBondContact O-N 2.89Å; G254-L257 PolarHBondContact O-N 3.17Å; I255-L257 VanDerWaalsContact C-N 3.28Å; I255-L257 PolarHBondContact O-N 3.11Å; L257-I259 VanDerWaalsContact C-N 3.33Å; L257-I259 PolarHBondContact O-N 3.06Å; L257-R260 PolarHBondContact O-N 3.29Å; L257-F261 HydrophobicContact CD2-CD2 4.28Å; L257-F261 HydrophobicContact CG-CD2 4.14Å; L257-F261 HydrophobicContact CG-CE2 4.33Å; L257-F261 VanDerWaalsContact O-CD2 3.24Å; L257-F261 WeakPolarHBondContact O-CD2 3.35Å; L257-F261 PolarHBondContact O-N 3.43Å; L257-F261 VanDerWaalsContact O-N 3.12Å
258L95.4Very high91.3Very high11 Ų1117 Ų176%0.0589%0.091CC..Hα-helixtrans-65.8-35.9176.8-69.1175.7000112.6L214 A218 G254 I255 R260 F261 H262 M312 I315L214-L258 HydrophobicContact CB-CD2 4.22Å; A218-L258 HydrophobicContact CB-CD1 3.47Å; A218-L258 VanDerWaalsContact CB-CD1 3.47Å; A218-L258 HydrophobicContact CB-CD2 4.33Å; A218-L258 HydrophobicContact CB-CG 3.72Å; G254-L258 PolarHBondContact O-N 2.94Å; I255-L258 PolarHBondContact O-N 3.46Å; I255-L258 VanDerWaalsContact O-N 3.12Å; L258-R260 VanDerWaalsContact C-N 3.35Å; L258-F261 CarbonylContact O-C 3.29Å; L258-F261 PolarHBondContact O-N 3.08Å; L258-H262 PolarHBondContact O-N 2.7Å; L258-M312 HydrophobicContact CD1-CE 3.52Å; L258-M312 HydrophobicContact CD1-SD 3.43Å; L258-M312 WeakPolarHBondContact CD1-SD 3.21Å; L258-I315 HydrophobicContact CB-CD1 3.86Å; L258-I315 HydrophobicContact CB-CG2 4.38Å; L258-I315 HydrophobicContact CD1-CD1 4.48Å
259I95.1Very high92.1Very high2 Ų221.3 Ų21.31%0.0112%0.119CC..Hα-helixtrans-61.9-42.8173.8-70.2163000110.6F83 I255 F256 L257 F261 H262 I315 P320 A323 F324 I327F83-I259 HydrophobicContact CD1-CG2 3.79Å; F83-I259 HydrophobicContact CD2-CG2 4.1Å; F83-I259 HydrophobicContact CE1-CG2 3.39Å; F83-I259 HydrophobicContact CE2-CG2 3.74Å; F83-I259 HydrophobicContact CG-CG2 4.14Å; F83-I259 HydrophobicContact CZ-CG2 3.37Å; I255-I259 HydrophobicContact CG2-CD1 3.94Å; I255-I259 WeakPolarHBondContact O-CG1 3.43Å; I255-I259 PolarHBondContact O-N 3.19Å; F256-I259 PolarHBondContact O-N 2.89Å; L257-I259 VanDerWaalsContact C-N 3.33Å; L257-I259 PolarHBondContact O-N 3.06Å; I259-F261 VanDerWaalsContact C-N 3.3Å; I259-F261 PolarHBondContact O-N 3.42Å; I259-H262 WeakPolarHBondContact O-CB 3.45Å; I259-H262 PolarHBondContact O-N 3.5Å; I259-I315 HydrophobicContact CD1-CD1 4.49Å; I259-I315 HydrophobicContact CG1-CD1 3.87Å; I259-I315 HydrophobicContact CG1-CG1 4.26Å; I259-P320 HydrophobicContact CG1-CB 4.31Å; I259-P320 HydrophobicContact CG2-CB 4.27Å; I259-A323 HydrophobicContact CD1-CB 4.02Å; I259-A323 HydrophobicContact CG1-CB 4.38Å; I259-F324 HydrophobicContact CD1-CB 4.12Å; I259-I327 HydrophobicContact CD1-CD1 3.59Å
260R92.9Very high92.4Very high27 Ų2725.6 Ų25.610%0.10214%0.142CC..Hα-helixtrans-63.7-35177.1-71.9-71.1-171.7164.1-1.2113D81 V130 F256 L257 L258 H262D81-R260 IonicContact OD1-CZ 2.87Å; D81-R260 IonicContact OD1-NH1 2.71Å; D81-R260 PolarHBondContact OD1-NH1 3.41Å; D81-R260 IonicContact OD1-NH2 3.46Å; D81-R260 PolarHBondContact OD1-NH2 3.25Å; D81-R260 IonicContact OD2-CZ 2.8Å; D81-R260 VanDerWaalsContact OD2-CZ 3.27Å; D81-R260 IonicContact OD2-NH1 3.16Å; D81-R260 PolarHBondContact OD2-NH1 3.31Å; D81-R260 IonicContact OD2-NH2 3.11Å; V130-R260 PolarHBondContact O-NH2 3.1Å; F256-R260 HydrophobicContact CD1-CG 4.08Å; F256-R260 HydrophobicContact CE1-CG 3.73Å; F256-R260 HydrophobicContact CZ-CG 4.19Å; F256-R260 WeakPolarHBondContact O-CG 3.47Å; F256-R260 PolarHBondContact O-N 3.17Å; L257-R260 PolarHBondContact O-N 3.29Å; L258-R260 VanDerWaalsContact C-N 3.35Å; R260-H262 VanDerWaalsContact C-N 3.34Å
261F90.9Very high92.5Very high8 Ų825.9 Ų25.94%0.03514%0.143CC..THydrogen-bonded Turntrans-9415.2177.5-70.1-65.3000113.9L135 P196 M199 L214 L257 L258 I259 L264 A265L135-F261 HydrophobicContact CD1-CZ 4.28Å; L135-F261 HydrophobicContact CD2-CE1 4.36Å; L135-F261 HydrophobicContact CD2-CE2 3.59Å; L135-F261 HydrophobicContact CD2-CZ 3.25Å; L135-F261 HydrophobicContact CG-CZ 3.83Å; P196-F261 HydrophobicContact CB-CE1 4.02Å; M199-F261 HydrophobicContact CE-CE1 3.55Å; M199-F261 HydrophobicContact CE-CZ 4.12Å; L214-F261 HydrophobicContact CD1-CB 4Å; L214-F261 HydrophobicContact CD1-CD1 4.41Å; L214-F261 HydrophobicContact CD1-CD2 3.83Å; L214-F261 HydrophobicContact CD1-CG 3.79Å; L214-F261 HydrophobicContact CD2-CD2 4.07Å; L214-F261 HydrophobicContact CD2-CE2 4.23Å; L257-F261 HydrophobicContact CD2-CD2 4.28Å; L257-F261 HydrophobicContact CG-CD2 4.14Å; L257-F261 HydrophobicContact CG-CE2 4.33Å; L257-F261 VanDerWaalsContact O-CD2 3.24Å; L257-F261 WeakPolarHBondContact O-CD2 3.35Å; L257-F261 PolarHBondContact O-N 3.43Å; L257-F261 VanDerWaalsContact O-N 3.12Å; L258-F261 CarbonylContact O-C 3.29Å; L258-F261 PolarHBondContact O-N 3.08Å; I259-F261 VanDerWaalsContact C-N 3.3Å; I259-F261 PolarHBondContact O-N 3.42Å; F261-L264 HydrophobicContact CD1-CD1 3.76Å; F261-L264 HydrophobicContact CE1-CD1 4.48Å; F261-L264 PolarHBondContact O-N 2.97Å; F261-L264 VanDerWaalsContact O-N 3.08Å; F261-A265 PolarHBondContact O-N 3.48Å; F261-A265 VanDerWaalsContact O-N 3.13Å
262H90.1Very high92.5Very high24 Ų2427.6 Ų27.611%0.11115%0.151CC..Hα-helixtrans-53.7-43.3178.2165.8-92.1000113.8L258 I259 R260 L264 A265 E266 N318 P320L258-H262 PolarHBondContact O-N 2.7Å; I259-H262 WeakPolarHBondContact O-CB 3.45Å; I259-H262 PolarHBondContact O-N 3.5Å; R260-H262 VanDerWaalsContact C-N 3.34Å; H262-L264 PolarHBondContact O-N 3.13Å; H262-L264 VanDerWaalsContact O-N 3.1Å; H262-A265 PolarHBondContact O-N 2.57Å; H262-E266 IonicContact CE1-OE2 3.63Å; H262-E266 PolarHBondContact CE1-OE2 2.69Å; H262-E266 PolarHBondContact O-N 3.39Å; H262-N318 PolarHBondContact CD2-OD1 3.46Å; H262-N318 PolarHBondContact NE2-OD1 3.22Å; H262-P320 HydrophobicContact CB-CB 4.03Å; H262-P320 HydrophobicContact CB-CG 4.07Å; H262-P320 VanDerWaalsContact CD2-CG 3.42Å; H262-P320 WeakPolarHBondContact CD2-CG 3.28Å; H262-P320 VanDerWaalsContact CG-CG 3.44Å
263P89.6Confident92.5Very high70 Ų7031 Ų3146%0.45517%0.172SC..Hα-helixtrans-58.8-28.1178.6-26.735.5000114A200A200-P263 HydrophobicContact CB-CB 4.44Å
264L88.4Confident92.6Very high5 Ų534.4 Ų34.43%0.02619%0.19CC..Hα-helixtrans-80.8-36173.7-63.1174.5000111.5F187 N203 P206 L211 F261 H262 E266F187-L264 HydrophobicContact CE1-CD1 4.08Å; F187-L264 HydrophobicContact CZ-CD1 3.87Å; N203-L264 HydrophobicContact CB-CD2 4.25Å; P206-L264 HydrophobicContact CB-CD2 4.38Å; P206-L264 HydrophobicContact CG-CB 4.44Å; P206-L264 WeakPolarHBondContact CG-O 3.46Å; L211-L264 HydrophobicContact CD2-CB 4Å; F261-L264 HydrophobicContact CD1-CD1 3.76Å; F261-L264 HydrophobicContact CE1-CD1 4.48Å; F261-L264 PolarHBondContact O-N 2.97Å; F261-L264 VanDerWaalsContact O-N 3.08Å; H262-L264 PolarHBondContact O-N 3.13Å; H262-L264 VanDerWaalsContact O-N 3.1Å; L264-E266 VanDerWaalsContact C-N 3.35Å
265A88.6Confident92.6Very high12 Ų1234.6 Ų34.610%0.09919%0.191CC..Hα-helixtrans-71.9-29.1-179.400000112.8F261 H262 N267 S268 Q272F261-A265 PolarHBondContact O-N 3.48Å; F261-A265 VanDerWaalsContact O-N 3.13Å; H262-A265 PolarHBondContact O-N 2.57Å; A265-N267 VanDerWaalsContact C-N 3.3Å; A265-N267 PolarHBondContact O-N 3.17Å; A265-S268 PolarHBondContact O-N 3.11Å; A265-S268 VanDerWaalsContact O-N 3.15Å; A265-S268 PolarHBondContact O-OG 3.1Å; A265-Q272 PolarHBondContact O-NE2 3.19Å; A265-Q272 VanDerWaalsContact O-NE2 3.17Å
266E88.7Confident92.7Very high91 Ų9135 Ų3543%0.42519%0.193SC..THydrogen-bonded Turntrans-56.6-38.9-177.6-178.9157.6-148.800113.2H262 L264 S268 Q272 N318H262-E266 IonicContact CE1-OE2 3.63Å; H262-E266 PolarHBondContact CE1-OE2 2.69Å; H262-E266 PolarHBondContact O-N 3.39Å; L264-E266 VanDerWaalsContact C-N 3.35Å; E266-S268 PolarHBondContact O-N 3.06Å; E266-Q272 VanDerWaalsContact CA-NE2 3.32Å; E266-Q272 PolarHBondContact O-NE2 2.67Å; E266-N318 PolarHBondContact OE1-ND2 2.83Å
267N86.8Confident92.7Very high88 Ų8836.6 Ų36.647%0.47120%0.204SC..THydrogen-bonded Turntrans-80.3-1.9-176.3-64.2-14.4000113.8A204 A265A204-N267 PolarHBondContact O-ND2 3.03Å; A265-N267 VanDerWaalsContact C-N 3.3Å; A265-N267 PolarHBondContact O-N 3.17Å
268S90.2Very high92.8Very high12 Ų1238.3 Ų38.38%0.08421%0.213CC..  trans-123.891.4-167.572.40000112.1L211 A265 E266 L270 I271 Q272L211-S268 WeakPolarHBondContact CD1-OG 3.35Å; A265-S268 PolarHBondContact O-N 3.11Å; A265-S268 VanDerWaalsContact O-N 3.15Å; A265-S268 PolarHBondContact O-OG 3.1Å; E266-S268 PolarHBondContact O-N 3.06Å; S268-L270 VanDerWaalsContact C-N 3.26Å; S268-L270 PolarHBondContact O-N 3.38Å; S268-I271 PolarHBondContact O-N 2.83Å; S268-I271 VanDerWaalsContact O-N 3.11Å; S268-I271 WeakPolarHBondContact OG-CB 2.99Å; S268-I271 WeakPolarHBondContact OG-CD1 3.48Å; S268-I271 WeakPolarHBondContact OG-CG1 3.49Å; S268-Q272 PolarHBondContact O-N 2.86Å
269P91Very high92.9Very high91 Ų9137.8 Ų37.859%0.59121%0.21SC*.Hα-helixtrans-65.1-29.7-172.925.1-34.3000112.7I271 Q272 T273P269-I271 VanDerWaalsContact C-N 3.3Å; P269-I271 PolarHBondContact O-N 3.25Å; P269-Q272 PolarHBondContact O-N 3.02Å; P269-T273 WeakPolarHBondContact O-CG2 3.44Å; P269-T273 PolarHBondContact O-N 3.03Å; P269-T273 PolarHBondContact O-OG1 3.49Å; P269-T273 VanDerWaalsContact O-OG1 3.14Å
270L94.1Very high93Very high91 Ų9137.7 Ų37.748%0.47621%0.21SC..Hα-helixtrans-62.1-37.8176.6-173.668000111.8L208 S268 T273 L274L208-L270 HydrophobicContact CD1-CD2 3.82Å; L208-L270 HydrophobicContact CD1-CG 4.49Å; L208-L270 HydrophobicContact CD2-CD2 3.68Å; L208-L270 HydrophobicContact CG-CD2 4.43Å; S268-L270 VanDerWaalsContact C-N 3.26Å; S268-L270 PolarHBondContact O-N 3.38Å; L270-T273 WeakPolarHBondContact CA-OG1 3.48Å; L270-T273 PolarHBondContact O-OG1 3.43Å; L270-L274 HydrophobicContact CG-CD1 4.2Å; L270-L274 WeakPolarHBondContact O-CB 3.41Å; L270-L274 VanDerWaalsContact O-CG 3.24Å; L270-L274 WeakPolarHBondContact O-CG 3.21Å; L270-L274 PolarHBondContact O-N 3.21Å
271I94.6Very high93.2Very high6 Ų639.2 Ų39.23%0.03122%0.219CC..Hα-helixtrans-73.3-42.5-179.2-68.961.7000108.8L208 L211 S268 P269 T273 L274 T275L208-I271 HydrophobicContact CD1-CD1 3.13Å; L208-I271 HydrophobicContact CD1-CG1 3.97Å; L211-I271 HydrophobicContact CB-CD1 4.39Å; L211-I271 HydrophobicContact CB-CG1 3.59Å; L211-I271 HydrophobicContact CB-CG2 4.43Å; L211-I271 HydrophobicContact CD1-CD1 4.12Å; L211-I271 HydrophobicContact CD1-CG1 3.87Å; L211-I271 HydrophobicContact CG-CG1 4.35Å; S268-I271 PolarHBondContact O-N 2.83Å; S268-I271 VanDerWaalsContact O-N 3.11Å; S268-I271 WeakPolarHBondContact OG-CB 2.99Å; S268-I271 WeakPolarHBondContact OG-CD1 3.48Å; S268-I271 WeakPolarHBondContact OG-CG1 3.49Å; P269-I271 VanDerWaalsContact C-N 3.3Å; P269-I271 PolarHBondContact O-N 3.25Å; I271-T273 VanDerWaalsContact C-N 3.33Å; I271-T273 PolarHBondContact O-N 3.31Å; I271-L274 PolarHBondContact O-N 3.44Å; I271-T275 HydrophobicContact CG2-CG2 4.07Å; I271-T275 WeakPolarHBondContact O-CB 3.43Å; I271-T275 VanDerWaalsContact O-CG2 3.26Å; I271-T275 WeakPolarHBondContact O-CG2 3.39Å; I271-T275 PolarHBondContact O-N 3.03Å; I271-T275 PolarHBondContact O-OG1 3.5Å
272Q94Very high93.5Very high38 Ų3838.9 Ų38.918%0.17822%0.218CC..Hα-helixtrans-57.4-45.8175.2-71.3173.611.400111.6A265 E266 S268 P269 T275 L276 G316A265-Q272 PolarHBondContact O-NE2 3.19Å; A265-Q272 VanDerWaalsContact O-NE2 3.17Å; E266-Q272 VanDerWaalsContact CA-NE2 3.32Å; E266-Q272 PolarHBondContact O-NE2 2.67Å; S268-Q272 PolarHBondContact O-N 2.86Å; P269-Q272 PolarHBondContact O-N 3.02Å; Q272-T275 WeakPolarHBondContact CA-OG1 3.45Å; Q272-T275 PolarHBondContact O-OG1 3.26Å; Q272-L276 WeakPolarHBondContact O-CB 3.5Å; Q272-L276 PolarHBondContact O-N 2.87Å; Q272-G316 WeakPolarHBondContact CB-O 3.5Å; Q272-G316 WeakPolarHBondContact O-CA 3.4Å
273T95.1Very high93.8Very high73 Ų7338 Ų3845%0.44821%0.214SC..Hα-helixtrans-66.6-40.7176.555.90000112.8P269 L270 I271 L276 C277P269-T273 WeakPolarHBondContact O-CG2 3.44Å; P269-T273 PolarHBondContact O-N 3.03Å; P269-T273 PolarHBondContact O-OG1 3.49Å; P269-T273 VanDerWaalsContact O-OG1 3.14Å; L270-T273 WeakPolarHBondContact CA-OG1 3.48Å; L270-T273 PolarHBondContact O-OG1 3.43Å; I271-T273 VanDerWaalsContact C-N 3.33Å; I271-T273 PolarHBondContact O-N 3.31Å; T273-L276 PolarHBondContact O-N 3.17Å; T273-C277 WeakPolarHBondContact O-CB 3.4Å; T273-C277 PolarHBondContact O-N 3.42Å; T273-C277 PolarHBondContact O-SG 2.94Å; T273-C277 VanDerWaalsContact O-SG 3.32Å
274L95.9Very high94.2Very high72 Ų7236.9 Ų36.938%0.37720%0.204SC..Hα-helixtrans-64.8-44.7176.4-74172.3000112.2L212 L215 L270 I271 C277 L278L212-L274 HydrophobicContact CD2-CD1 3.81Å; L215-L274 HydrophobicContact CD1-CB 4.06Å; L270-L274 HydrophobicContact CG-CD1 4.2Å; L270-L274 WeakPolarHBondContact O-CB 3.41Å; L270-L274 VanDerWaalsContact O-CG 3.24Å; L270-L274 WeakPolarHBondContact O-CG 3.21Å; L270-L274 PolarHBondContact O-N 3.21Å; I271-L274 PolarHBondContact O-N 3.44Å; L274-C277 PolarHBondContact O-N 3.38Å; L274-L278 WeakPolarHBondContact O-CB 3.13Å; L274-L278 PolarHBondContact O-N 2.81Å
275T96.1Very high94.6Very high4 Ų438.3 Ų38.33%0.02521%0.21CC..Hα-helixtrans-62.1-44.8176.851.90000111.1L215 I271 Q272 L278 G279 M312 G316L215-T275 HydrophobicContact CD1-CG2 3.49Å; L215-T275 VanDerWaalsContact CD1-CG2 3.49Å; L215-T275 HydrophobicContact CG-CG2 4.33Å; I271-T275 HydrophobicContact CG2-CG2 4.07Å; I271-T275 WeakPolarHBondContact O-CB 3.43Å; I271-T275 VanDerWaalsContact O-CG2 3.26Å; I271-T275 WeakPolarHBondContact O-CG2 3.39Å; I271-T275 PolarHBondContact O-N 3.03Å; I271-T275 PolarHBondContact O-OG1 3.5Å; Q272-T275 WeakPolarHBondContact CA-OG1 3.45Å; Q272-T275 PolarHBondContact O-OG1 3.26Å; T275-L278 PolarHBondContact O-N 3.44Å; T275-G279 PolarHBondContact O-N 3.14Å; T275-M312 HydrophobicContact CG2-CE 3.55Å; T275-M312 HydrophobicContact CG2-SD 4.4Å; T275-M312 WeakPolarHBondContact O-CG 3.1Å; T275-G316 VanDerWaalsContact OG1-CA 3.26Å; T275-G316 WeakPolarHBondContact OG1-CA 3.29Å
276L96.6Very high95Very high8 Ų837.8 Ų37.84%0.04221%0.206CC..Hα-helixtrans-60.8-49.8176.6-179.4132.5000112.5Q272 T273 G279 A280 V313 I317 T402 N403 A406Q272-L276 WeakPolarHBondContact O-CB 3.5Å; Q272-L276 PolarHBondContact O-N 2.87Å; T273-L276 PolarHBondContact O-N 3.17Å; L276-G279 PolarHBondContact O-N 2.72Å; L276-A280 WeakPolarHBondContact O-CB 3.3Å; L276-A280 PolarHBondContact O-N 3.22Å; L276-V313 HydrophobicContact CD1-CG1 4.43Å; L276-I317 HydrophobicContact CD1-CG2 3.52Å; L276-T402 HydrophobicContact CD1-CG2 4.24Å; L276-N403 HydrophobicContact CD2-CB 3.9Å; L276-A406 HydrophobicContact CD2-CB 3.25Å; L276-A406 HydrophobicContact CG-CB 4.06Å
277C96.9Very high95.4Very high35 Ų3533.4 Ų33.424%0.23619%0.185CC..Hα-helixtrans-64.1-43.9179-73.30000112T273 L274 A280 I281T273-C277 WeakPolarHBondContact O-CB 3.4Å; T273-C277 PolarHBondContact O-N 3.42Å; T273-C277 PolarHBondContact O-SG 2.94Å; T273-C277 VanDerWaalsContact O-SG 3.32Å; L274-C277 PolarHBondContact O-N 3.38Å; C277-A280 PolarHBondContact O-N 3.46Å; C277-I281 WeakPolarHBondContact O-CD1 3.27Å; C277-I281 VanDerWaalsContact O-CG1 3.25Å; C277-I281 WeakPolarHBondContact O-CG1 3.02Å; C277-I281 PolarHBondContact O-N 2.91Å; C277-I281 VanDerWaalsContact O-N 3.1Å
278L97.4Very high95.9Very high37 Ų3731.2 Ų31.219%0.19418%0.175CC..Hα-helixtrans-63.4-44.4178.7-179.1135.9000111.3L215 Q224 L274 T275 T282 M312L215-L278 HydrophobicContact CD2-CD1 4.27Å; Q224-L278 HydrophobicContact CB-CD2 3.52Å; Q224-L278 HydrophobicContact CB-CG 4.32Å; Q224-L278 HydrophobicContact CG-CD2 3.62Å; L274-L278 WeakPolarHBondContact O-CB 3.13Å; L274-L278 PolarHBondContact O-N 2.81Å; T275-L278 PolarHBondContact O-N 3.44Å; L278-T282 VanDerWaalsContact O-CG2 3.28Å; L278-T282 WeakPolarHBondContact O-CG2 3.47Å; L278-T282 PolarHBondContact O-N 3.35Å; L278-T282 PolarHBondContact O-OG1 3.19Å; L278-M312 HydrophobicContact CD2-CE 3.92Å; L278-M312 HydrophobicContact CD2-CG 4.21Å
279G97.2Very high96.2Very high0 Ų030.6 Ų30.60%017%0.171CC..Hα-helixtrans-63.2-43.5174.700000113.4T275 L276 I281 T282 T283 G309T275-G279 PolarHBondContact O-N 3.14Å; L276-G279 PolarHBondContact O-N 2.72Å; G279-I281 PolarHBondContact O-N 3.06Å; G279-T282 WeakPolarHBondContact CA-OG1 3.39Å; G279-T282 PolarHBondContact O-N 3.47Å; G279-T282 PolarHBondContact O-OG1 2.94Å; G279-T283 WeakPolarHBondContact O-CG2 3.19Å; G279-T283 PolarHBondContact O-N 3.49Å; G279-G309 WeakPolarHBondContact CA-O 3.38Å
280A97.4Very high96.4Very high0 Ų026.3 Ų26.30%014%0.143CC..Hα-helixtrans-62-44.8179.900000111.4L276 C277 T282 T283 L284 V313 A406 I409 T410L276-A280 WeakPolarHBondContact O-CB 3.3Å; L276-A280 PolarHBondContact O-N 3.22Å; C277-A280 PolarHBondContact O-N 3.46Å; A280-T282 VanDerWaalsContact C-N 3.32Å; A280-T282 PolarHBondContact O-N 2.96Å; A280-T283 PolarHBondContact O-N 3.32Å; A280-T283 PolarHBondContact O-OG1 2.99Å; A280-L284 PolarHBondContact O-N 3.02Å; A280-V313 HydrophobicContact CB-CG2 4.18Å; A280-A406 HydrophobicContact CB-CB 3.74Å; A280-I409 HydrophobicContact CB-CG2 4.3Å; A280-I409 WeakPolarHBondContact O-CG2 3.45Å; A280-T410 HydrophobicContact CB-CG2 4.04Å
281I97.1Very high96.5Very high58 Ų5824.2 Ų24.230%0.29713%0.132SC..Hα-helixtrans-64.8-38.4178.9-58.5160.2000111.2L225 C277 G279 L284 F285 W405L225-I281 HydrophobicContact CD1-CG2 4.11Å; L225-I281 HydrophobicContact CD2-CB 4.26Å; L225-I281 HydrophobicContact CD2-CG2 3.41Å; L225-I281 VanDerWaalsContact CD2-CG2 3.41Å; L225-I281 HydrophobicContact CG-CG2 4.26Å; C277-I281 WeakPolarHBondContact O-CD1 3.27Å; C277-I281 VanDerWaalsContact O-CG1 3.25Å; C277-I281 WeakPolarHBondContact O-CG1 3.02Å; C277-I281 PolarHBondContact O-N 2.91Å; C277-I281 VanDerWaalsContact O-N 3.1Å; G279-I281 PolarHBondContact O-N 3.06Å; I281-L284 PolarHBondContact O-N 3.34Å; I281-F285 VanDerWaalsContact O-CB 3.29Å; I281-F285 WeakPolarHBondContact O-CB 3.35Å; I281-F285 PolarHBondContact O-N 3.45Å; I281-W405 HydrophobicContact CD1-CH2 3.76Å; I281-W405 HydrophobicContact CD1-CZ3 4.22Å; I281-W405 HydrophobicContact CG1-CH2 3.4Å; I281-W405 VanDerWaalsContact CG1-CH2 3.4Å; I281-W405 HydrophobicContact CG1-CZ2 4.44Å; I281-W405 HydrophobicContact CG1-CZ3 3.92Å
282T97.4Very high96.5Very high2 Ų224.7 Ų24.71%0.01214%0.135CC..Hα-helixtrans-66.7-41.8178.652.20000112.5Q224 L225 L278 G279 A280 L284 F285 A286 G309Q224-T282 HydrophobicContact CB-CG2 3.89Å; Q224-T282 VanDerWaalsContact OE1-CG2 3.27Å; Q224-T282 PolarHBondContact OE1-OG1 3.13Å; L225-T282 HydrophobicContact CB-CG2 3.54Å; L278-T282 VanDerWaalsContact O-CG2 3.28Å; L278-T282 WeakPolarHBondContact O-CG2 3.47Å; L278-T282 PolarHBondContact O-N 3.35Å; L278-T282 PolarHBondContact O-OG1 3.19Å; G279-T282 WeakPolarHBondContact CA-OG1 3.39Å; G279-T282 PolarHBondContact O-N 3.47Å; G279-T282 PolarHBondContact O-OG1 2.94Å; A280-T282 VanDerWaalsContact C-N 3.32Å; A280-T282 PolarHBondContact O-N 2.96Å; T282-L284 VanDerWaalsContact C-N 3.29Å; T282-L284 PolarHBondContact O-N 3.39Å; T282-F285 PolarHBondContact O-N 3.39Å; T282-A286 VanDerWaalsContact O-CB 3.26Å; T282-A286 WeakPolarHBondContact O-CB 3.44Å; T282-A286 PolarHBondContact O-N 3.11Å; T282-G309 VanDerWaalsContact OG1-CA 3.22Å; T282-G309 WeakPolarHBondContact OG1-CA 3.12Å
283T97.1Very high96.6Very high4 Ų423.6 Ų23.63%0.02513%0.13CC..Hα-helixtrans-55-47.9176.864.40000111.7G279 A280 A287 S306 L310 A413G279-T283 WeakPolarHBondContact O-CG2 3.19Å; G279-T283 PolarHBondContact O-N 3.49Å; A280-T283 PolarHBondContact O-N 3.32Å; A280-T283 PolarHBondContact O-OG1 2.99Å; T283-A287 WeakPolarHBondContact O-CB 3.27Å; T283-A287 PolarHBondContact O-N 3.14Å; T283-S306 WeakPolarHBondContact CG2-O 3.27Å; T283-L310 HydrophobicContact CG2-CB 4.06Å; T283-A413 WeakPolarHBondContact OG1-CB 3.28Å
284L97.2Very high96.7Very high47 Ų4721.6 Ų21.625%0.24612%0.116CC..Hα-helixtrans-69.4-50.6-178.5-175.773.5000111.8A280 I281 T282 A286 A287 V288 I409 I412 L416A280-L284 PolarHBondContact O-N 3.02Å; I281-L284 PolarHBondContact O-N 3.34Å; T282-L284 VanDerWaalsContact C-N 3.29Å; T282-L284 PolarHBondContact O-N 3.39Å; L284-A286 VanDerWaalsContact C-N 3.32Å; L284-A286 PolarHBondContact O-N 2.97Å; L284-A287 PolarHBondContact O-N 2.89Å; L284-V288 HydrophobicContact CD1-CG2 4.38Å; L284-V288 HydrophobicContact CG-CG2 4.38Å; L284-V288 WeakPolarHBondContact O-CG2 3.27Å; L284-V288 PolarHBondContact O-N 3.48Å; L284-I409 HydrophobicContact CB-CG2 3.52Å; L284-I409 HydrophobicContact CD1-CG2 4.34Å; L284-I409 HydrophobicContact CD2-CD1 4.43Å; L284-I409 HydrophobicContact CD2-CG1 4.44Å; L284-I409 HydrophobicContact CD2-CG2 3.93Å; L284-I409 HydrophobicContact CG-CG2 4.12Å; L284-I412 HydrophobicContact CD1-CB 4.32Å; L284-I412 HydrophobicContact CD1-CG2 3.78Å; L284-L416 HydrophobicContact CD1-CD1 4.37Å
285F97.2Very high96.7Very high35 Ų3520.2 Ų20.215%0.15411%0.109CC..Hα-helixtrans-59-46.3-176.6178.8-95.6000111.3L225 H228 I281 T282 V288 C289 F520L225-F285 HydrophobicContact CD1-CB 3.86Å; L225-F285 HydrophobicContact CD1-CD1 3.94Å; L225-F285 HydrophobicContact CD1-CD2 4.36Å; L225-F285 HydrophobicContact CD1-CG 3.77Å; H228-F285 AromaticContact CD2-CE1 3.56Å; H228-F285 AromaticContact CE1-CE1 3.76Å; H228-F285 AromaticContact NE2-CE1 3.21Å; H228-F285 WeakPolarHBondContact NE2-CE1 3.35Å; H228-F285 AromaticContact NE2-CZ 3.72Å; I281-F285 VanDerWaalsContact O-CB 3.29Å; I281-F285 WeakPolarHBondContact O-CB 3.35Å; I281-F285 PolarHBondContact O-N 3.45Å; T282-F285 PolarHBondContact O-N 3.39Å; F285-V288 PolarHBondContact O-N 2.91Å; F285-C289 PolarHBondContact O-N 3.5Å; F285-C289 VanDerWaalsContact O-N 3.07Å; F285-C289 PolarHBondContact O-SG 3.46Å; F285-F520 HydrophobicContact CE2-CZ 4.41Å
286A96.8Very high96.7Very high1 Ų120 Ų201%0.00811%0.108CC..Hα-helixtrans-65.1-42.3177.400000111.9T282 L284 C289 A290 F302T282-A286 VanDerWaalsContact O-CB 3.26Å; T282-A286 WeakPolarHBondContact O-CB 3.44Å; T282-A286 PolarHBondContact O-N 3.11Å; L284-A286 VanDerWaalsContact C-N 3.32Å; L284-A286 PolarHBondContact O-N 2.97Å; A286-C289 PolarHBondContact O-N 3.42Å; A286-A290 WeakPolarHBondContact O-CB 3.37Å; A286-A290 PolarHBondContact O-N 2.97Å; A286-F302 HydrophobicContact CB-CD1 4.27Å
287A96.9Very high96.7Very high0 Ų019.8 Ų19.80%011%0.107CC..Hα-helixtrans-65.4-39.8179.100000112.6T283 L284 A290 L291 L416 Y420T283-A287 WeakPolarHBondContact O-CB 3.27Å; T283-A287 PolarHBondContact O-N 3.14Å; L284-A287 PolarHBondContact O-N 2.89Å; A287-A290 PolarHBondContact O-N 3.5Å; A287-L291 PolarHBondContact O-N 2.88Å; A287-L416 HydrophobicContact CB-CB 3.74Å; A287-L416 HydrophobicContact CB-CD1 4.02Å; A287-Y420 HydrophobicContact CB-CE1 4.14Å
288V96.7Very high96.6Very high41 Ų4120.9 Ų20.925%0.24811%0.108CC..Hα-helixtrans-64-43.2175171.20000111.1L284 F285 L291 L416L284-V288 HydrophobicContact CD1-CG2 4.38Å; L284-V288 HydrophobicContact CG-CG2 4.38Å; L284-V288 WeakPolarHBondContact O-CG2 3.27Å; L284-V288 PolarHBondContact O-N 3.48Å; F285-V288 PolarHBondContact O-N 2.91Å; V288-L291 PolarHBondContact O-N 3.13Å; V288-L416 HydrophobicContact CG2-CD1 3.74Å
289C96.4Very high96.6Very high0 Ų019.2 Ų19.20%010%0.099CC..Hα-helixtrans-62.3-42.7175.7-66.60000111.4F285 A286 L291 T292 Q293 F302 L524F285-C289 PolarHBondContact O-N 3.5Å; F285-C289 VanDerWaalsContact O-N 3.07Å; F285-C289 PolarHBondContact O-SG 3.46Å; A286-C289 PolarHBondContact O-N 3.42Å; C289-L291 PolarHBondContact O-N 3.05Å; C289-L291 VanDerWaalsContact O-N 3.16Å; C289-T292 PolarHBondContact O-N 3.09Å; C289-Q293 WeakPolarHBondContact O-CG 3.08Å; C289-F302 HydrophobicContact CB-CD1 4.01Å; C289-F302 HydrophobicContact CB-CD2 4.35Å; C289-F302 HydrophobicContact CB-CE1 3.99Å; C289-F302 HydrophobicContact CB-CE2 4.35Å; C289-F302 HydrophobicContact CB-CG 4.21Å; C289-F302 HydrophobicContact CB-CZ 4.19Å; C289-L524 HydrophobicContact CB-CD2 3.78Å
290A96.5Very high96.6Very high0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-59.4-28-178.400000114.2A286 A287 T292 F302 Y420A286-A290 WeakPolarHBondContact O-CB 3.37Å; A286-A290 PolarHBondContact O-N 2.97Å; A287-A290 PolarHBondContact O-N 3.5Å; A290-T292 VanDerWaalsContact C-N 3.34Å; A290-T292 PolarHBondContact O-N 2.95Å; A290-F302 HydrophobicContact CB-CB 3.73Å; A290-Y420 HydrophobicContact CB-CD1 3.63Å; A290-Y420 HydrophobicContact CB-CE1 4.07Å; A290-Y420 HydrophobicContact CB-CG 3.89Å
291L95Very high96.5Very high47 Ų4719.3 Ų19.325%0.24610%0.099CC..THydrogen-bonded Turntrans-64.1-33.8-176.1-71.8167.9000113.8A287 V288 C289 L416 A419 R423A287-L291 PolarHBondContact O-N 2.88Å; V288-L291 PolarHBondContact O-N 3.13Å; C289-L291 PolarHBondContact O-N 3.05Å; C289-L291 VanDerWaalsContact O-N 3.16Å; L291-L416 HydrophobicContact CD1-CD1 4.4Å; L291-L416 HydrophobicContact CD1-CD2 3.8Å; L291-L416 HydrophobicContact CD2-CD2 4.44Å; L291-A419 HydrophobicContact CD2-CB 3.99Å; L291-R423 WeakPolarHBondContact O-CD 3.43Å; L291-R423 PolarHBondContact O-NE 3.07Å; L291-R423 PolarHBondContact O-NH1 3.4Å
292T95.3Very high96.5Very high16 Ų1616.7 Ų16.710%0.0989%0.086CC..THydrogen-bonded Turntrans-110.9-9.9-171.4550000114C289 A290 R423 F518 S521 N522C289-T292 PolarHBondContact O-N 3.09Å; A290-T292 VanDerWaalsContact C-N 3.34Å; A290-T292 PolarHBondContact O-N 2.95Å; T292-R423 PolarHBondContact O-NH2 3.42Å; T292-F518 HydrophobicContact CG2-CD2 3.72Å; T292-F518 HydrophobicContact CG2-CE2 3.87Å; T292-S521 WeakPolarHBondContact CG2-OG 3.17Å; T292-S521 VanDerWaalsContact OG1-C 3.27Å; T292-S521 WeakPolarHBondContact OG1-CB 3.5Å; T292-S521 PolarHBondContact OG1-OG 2.64Å; T292-N522 PolarHBondContact OG1-N 3.29Å
293Q96.4Very high96.4Very high16 Ų1616.6 Ų16.68%0.0759%0.085CC..  trans-62.8149.4172.6-65.6-58.7-34.700111.5C289 I299 F302 R423 N522C289-Q293 WeakPolarHBondContact O-CG 3.08Å; Q293-I299 HydrophobicContact CB-CG1 3.94Å; Q293-I299 WeakPolarHBondContact O-CD1 3.16Å; Q293-F302 HydrophobicContact CG-CD2 4.07Å; Q293-F302 HydrophobicContact CG-CE2 3.94Å; Q293-R423 PolarHBondContact O-NH2 3.32Å; Q293-R423 VanDerWaalsContact O-NH2 3.11Å; Q293-N522 PolarHBondContact NE2-O 3.14Å
294N96.2Very high96.4Very high30 Ų3016.4 Ų16.416%0.168%0.084CC..  trans-113.1-23.4-178.5-62.7-41.2000113.1I296 D353 I354 R423N294-I296 PolarHBondContact O-N 2.89Å; N294-D353 WeakPolarHBondContact CB-OD1 3.34Å; N294-I354 HydrophobicContact CB-CG1 4.43Å; N294-I354 WeakPolarHBondContact O-CG1 3.3Å; N294-I354 WeakPolarHBondContact O-CG2 3.3Å; N294-I354 PolarHBondContact O-N 2.94Å; N294-R423 PolarHBondContact OD1-NH2 3.26Å; N294-R423 VanDerWaalsContact OD1-NH2 3.1Å
295D96.5Very high96.3Very high43 Ų4314.5 Ų14.523%0.238%0.075CC..BIsolated β-bridgetrans-74.5120.5176.1-59.2-29.1000109.5K297 K298 I299D295-K297 PolarHBondContact O-N 2.92Å; D295-K298 HydrophobicContact CB-CB 4.05Å; D295-K298 HydrophobicContact CB-CD 4.01Å; D295-K298 HydrophobicContact CB-CG 3.94Å; D295-K298 PolarHBondContact O-N 3.39Å; D295-K298 WeakPolarHBondContact OD2-CD 3.33Å; D295-K298 VanDerWaalsContact OD2-CE 3.25Å; D295-K298 WeakPolarHBondContact OD2-CE 3.29Å; D295-K298 IonicContact OD2-NZ 3.75Å; D295-K298 PolarHBondContact OD2-NZ 3.35Å; D295-I299 WeakPolarHBondContact O-CG1 3.46Å; D295-I299 PolarHBondContact O-N 2.89Å
296I96.4Very high96.3Very high0 Ų013 Ų130%07%0.069CC..Hα-helixtrans-57.1-38.5-176-163.5170.8000111.8N294 I299 V300 I345 Q352 I354 M357 M424 T428N294-I296 PolarHBondContact O-N 2.89Å; I296-I299 PolarHBondContact O-N 3.48Å; I296-V300 WeakPolarHBondContact O-CG2 3.45Å; I296-V300 PolarHBondContact O-N 2.91Å; I296-V300 VanDerWaalsContact O-N 3.08Å; I296-I345 HydrophobicContact CG2-CD1 3.91Å; I296-I345 HydrophobicContact CG2-CG1 4.24Å; I296-Q352 PolarHBondContact N-O 3.33Å; I296-I354 HydrophobicContact CB-CG2 3.97Å; I296-I354 HydrophobicContact CG1-CG2 4.32Å; I296-M357 HydrophobicContact CD1-SD 4.41Å; I296-M357 HydrophobicContact CG2-CE 4.31Å; I296-M424 HydrophobicContact CG1-CG 4.35Å; I296-T428 HydrophobicContact CD1-CG2 4.02Å
297K96.3Very high96.3Very high4 Ų413 Ų132%0.0177%0.068CC..Hα-helixtrans-64.4-42.5176.9-66.8-179.971.8-1780112.1M235 G237 T239 D295 V300 A301 I345M235-K297 HydrophobicContact CB-CB 4.1Å; M235-K297 HydrophobicContact CG-CB 4.1Å; M235-K297 WeakPolarHBondContact O-CE 3.45Å; M235-K297 PolarHBondContact O-NZ 3.41Å; M235-K297 HydrophobicContact SD-CB 3.95Å; G237-K297 PolarHBondContact O-NZ 3.37Å; T239-K297 HydrophobicContact CG2-CD 3.91Å; D295-K297 PolarHBondContact O-N 2.92Å; K297-V300 PolarHBondContact O-N 3.13Å; K297-A301 VanDerWaalsContact O-CB 3.29Å; K297-A301 WeakPolarHBondContact O-CB 2.94Å; K297-A301 PolarHBondContact O-N 2.93Å; K297-I345 HydrophobicContact CD-CD1 3.98Å; K297-I345 HydrophobicContact CG-CD1 3.88Å
298K95.4Very high96.3Very high58 Ų5813 Ų1325%0.2527%0.069SC..Hα-helixtrans-67.1-37.5178.3-68.3-177.9-175.7150.70111.6M235 D295 A301 F302M235-K298 HydrophobicContact CB-CG 4.49Å; M235-K298 HydrophobicContact CG-CG 4.39Å; D295-K298 HydrophobicContact CB-CB 4.05Å; D295-K298 HydrophobicContact CB-CD 4.01Å; D295-K298 HydrophobicContact CB-CG 3.94Å; D295-K298 PolarHBondContact O-N 3.39Å; D295-K298 WeakPolarHBondContact OD2-CD 3.33Å; D295-K298 VanDerWaalsContact OD2-CE 3.25Å; D295-K298 WeakPolarHBondContact OD2-CE 3.29Å; D295-K298 IonicContact OD2-NZ 3.75Å; D295-K298 PolarHBondContact OD2-NZ 3.35Å; K298-A301 WeakPolarHBondContact O-CB 3.43Å; K298-A301 PolarHBondContact O-N 2.78Å; K298-F302 WeakPolarHBondContact O-CD2 3.44Å; K298-F302 PolarHBondContact O-N 3.47Å
299I97.1Very high96.3Very high2 Ų211.1 Ų11.11%0.016%0.057CC..Hα-helixtrans-60.5-47.9173.9-61.6166.8000110Q293 D295 I296 A301 F302 S303 I354 Y420Q293-I299 HydrophobicContact CB-CG1 3.94Å; Q293-I299 WeakPolarHBondContact O-CD1 3.16Å; D295-I299 WeakPolarHBondContact O-CG1 3.46Å; D295-I299 PolarHBondContact O-N 2.89Å; I296-I299 PolarHBondContact O-N 3.48Å; I299-A301 VanDerWaalsContact C-N 3.31Å; I299-A301 PolarHBondContact O-N 3.32Å; I299-F302 PolarHBondContact O-N 3.05Å; I299-S303 WeakPolarHBondContact O-CB 3.42Å; I299-S303 PolarHBondContact O-N 2.93Å; I299-I354 HydrophobicContact CD1-CD1 3.83Å; I299-I354 HydrophobicContact CD1-CG2 4.31Å; I299-Y420 HydrophobicContact CG2-CD2 4.44Å
300V96.6Very high96.3Very high1 Ų111.6 Ų11.61%0.0066%0.059CC..Hα-helixtrans-64.2-37.6177.1-177.30000110.9I296 K297 S303 T304 L337 F338 M424I296-V300 WeakPolarHBondContact O-CG2 3.45Å; I296-V300 PolarHBondContact O-N 2.91Å; I296-V300 VanDerWaalsContact O-N 3.08Å; K297-V300 PolarHBondContact O-N 3.13Å; V300-S303 VanDerWaalsContact C-OG 3.3Å; V300-S303 WeakPolarHBondContact CA-OG 3.49Å; V300-S303 CarbonylContact O-C 3.57Å; V300-S303 WeakPolarHBondContact O-CB 3.5Å; V300-S303 PolarHBondContact O-N 3.06Å; V300-S303 PolarHBondContact O-OG 3.48Å; V300-T304 PolarHBondContact O-N 2.92Å; V300-L337 HydrophobicContact CG1-CB 4.2Å; V300-L337 HydrophobicContact CG2-CB 4.45Å; V300-F338 HydrophobicContact CB-CD1 4.41Å; V300-F338 HydrophobicContact CB-CE1 3.95Å; V300-F338 HydrophobicContact CB-CE2 4.45Å; V300-F338 HydrophobicContact CB-CZ 3.98Å; V300-F338 HydrophobicContact CG1-CD1 4.07Å; V300-F338 HydrophobicContact CG1-CD2 3.77Å; V300-F338 HydrophobicContact CG1-CE1 3.79Å; V300-F338 HydrophobicContact CG1-CE2 3.47Å; V300-F338 VanDerWaalsContact CG1-CE2 3.47Å; V300-F338 HydrophobicContact CG1-CG 4.06Å; V300-F338 HydrophobicContact CG1-CZ 3.48Å; V300-F338 VanDerWaalsContact CG1-CZ 3.48Å; V300-M424 HydrophobicContact CG2-CE 4.17Å
301A95.6Very high96.4Very high0 Ų011.6 Ų11.60%06%0.059CC..Hα-helixtrans-64.5-45.9176.300000113.5L231 M235 K297 K298 I299 S303 T304 S305L231-A301 HydrophobicContact CD2-CB 3.59Å; L231-A301 WeakPolarHBondContact CD2-O 3.33Å; M235-A301 HydrophobicContact CE-CB 3.49Å; M235-A301 VanDerWaalsContact CE-CB 3.49Å; M235-A301 HydrophobicContact CG-CB 3.85Å; M235-A301 HydrophobicContact SD-CB 3.79Å; K297-A301 VanDerWaalsContact O-CB 3.29Å; K297-A301 WeakPolarHBondContact O-CB 2.94Å; K297-A301 PolarHBondContact O-N 2.93Å; K298-A301 WeakPolarHBondContact O-CB 3.43Å; K298-A301 PolarHBondContact O-N 2.78Å; I299-A301 VanDerWaalsContact C-N 3.31Å; I299-A301 PolarHBondContact O-N 3.32Å; A301-S303 PolarHBondContact O-N 3.48Å; A301-T304 PolarHBondContact O-N 3.14Å; A301-T304 VanDerWaalsContact O-N 3.09Å; A301-T304 PolarHBondContact O-OG1 2.66Å; A301-S305 PolarHBondContact O-N 2.62Å; A301-S305 VanDerWaalsContact O-N 3.08Å
302F96.7Very high96.5Very high3 Ų39.3 Ų9.31%0.0135%0.048CC..Hα-helixtrans-65-34.4173.2-77-62.9000111.7P232 A286 C289 A290 Q293 K298 I299 T304 S305 S306 L524P232-F302 HydrophobicContact CB-CE1 4.34Å; P232-F302 HydrophobicContact CB-CE2 4.03Å; P232-F302 HydrophobicContact CB-CZ 3.67Å; P232-F302 HydrophobicContact CG-CD1 4.19Å; P232-F302 HydrophobicContact CG-CE1 3.36Å; P232-F302 HydrophobicContact CG-CE2 3.92Å; P232-F302 HydrophobicContact CG-CZ 3.17Å; A286-F302 HydrophobicContact CB-CD1 4.27Å; C289-F302 HydrophobicContact CB-CD1 4.01Å; C289-F302 HydrophobicContact CB-CD2 4.35Å; C289-F302 HydrophobicContact CB-CE1 3.99Å; C289-F302 HydrophobicContact CB-CE2 4.35Å; C289-F302 HydrophobicContact CB-CG 4.21Å; C289-F302 HydrophobicContact CB-CZ 4.19Å; A290-F302 HydrophobicContact CB-CB 3.73Å; Q293-F302 HydrophobicContact CG-CD2 4.07Å; Q293-F302 HydrophobicContact CG-CE2 3.94Å; K298-F302 WeakPolarHBondContact O-CD2 3.44Å; K298-F302 PolarHBondContact O-N 3.47Å; I299-F302 PolarHBondContact O-N 3.05Å; F302-T304 VanDerWaalsContact C-N 3.26Å; F302-T304 PolarHBondContact O-N 3.25Å; F302-S305 PolarHBondContact O-N 3.26Å; F302-S306 PolarHBondContact O-N 3.21Å; F302-L524 HydrophobicContact CE1-CD2 3.98Å; F302-L524 HydrophobicContact CE2-CD2 3.58Å; F302-L524 HydrophobicContact CZ-CD1 3.81Å; F302-L524 HydrophobicContact CZ-CD2 3.14Å; F302-L524 HydrophobicContact CZ-CG 4.08Å
303S96.7Very high96.6Very high0 Ų09 Ų90%05%0.045CC..Hα-helixtrans-64.8-28.7173.6820000112.5I299 V300 A301 S306 Q307 K334 Y420I299-S303 WeakPolarHBondContact O-CB 3.42Å; I299-S303 PolarHBondContact O-N 2.93Å; V300-S303 VanDerWaalsContact C-OG 3.3Å; V300-S303 WeakPolarHBondContact CA-OG 3.49Å; V300-S303 CarbonylContact O-C 3.57Å; V300-S303 WeakPolarHBondContact O-CB 3.5Å; V300-S303 PolarHBondContact O-N 3.06Å; V300-S303 PolarHBondContact O-OG 3.48Å; A301-S303 PolarHBondContact O-N 3.48Å; S303-S306 WeakPolarHBondContact CA-OG 3.48Å; S303-S306 PolarHBondContact O-OG 3.42Å; S303-Q307 VanDerWaalsContact O-CG 3.32Å; S303-Q307 WeakPolarHBondContact O-CG 3.17Å; S303-Q307 PolarHBondContact O-N 3.11Å; S303-K334 VanDerWaalsContact CB-NZ 3.31Å; S303-K334 PolarHBondContact O-NZ 3.01Å; S303-K334 PolarHBondContact OG-NZ 3.01Å; S303-Y420 VanDerWaalsContact CB-CE2 3.43Å; S303-Y420 VanDerWaalsContact CB-OH 3.3Å; S303-Y420 WeakPolarHBondContact CB-OH 3.45Å
304T96.4Very high96.5Very high0 Ų08.2 Ų8.20%04%0.042CC..Hα-helixtrans-72.6-47.3172560000110.4H246 V300 A301 F302 S306 Q307 L308 K334 F338H246-T304 HydrophobicContact CB-CG2 4.45Å; H246-T304 WeakPolarHBondContact O-CG2 3.35Å; V300-T304 PolarHBondContact O-N 2.92Å; A301-T304 PolarHBondContact O-N 3.14Å; A301-T304 VanDerWaalsContact O-N 3.09Å; A301-T304 PolarHBondContact O-OG1 2.66Å; F302-T304 VanDerWaalsContact C-N 3.26Å; F302-T304 PolarHBondContact O-N 3.25Å; T304-S306 PolarHBondContact O-N 3.41Å; T304-Q307 PolarHBondContact O-N 2.9Å; T304-L308 WeakPolarHBondContact O-CD1 3.1Å; T304-L308 VanDerWaalsContact O-CG 3.22Å; T304-L308 WeakPolarHBondContact O-CG 3.17Å; T304-L308 PolarHBondContact O-N 3.04Å; T304-K334 HydrophobicContact CG2-CD 3.72Å; T304-K334 HydrophobicContact CG2-CG 3.96Å; T304-F338 HydrophobicContact CG2-CE2 4.21Å
305S96Very high96.5Very high7 Ų77.1 Ų7.15%0.0494%0.036CC..Hα-helixtrans-54.8-39.8175.9177.20000111.8A223 A301 F302 Q307 L308 G309A223-S305 PolarHBondContact O-OG 3.43Å; A301-S305 PolarHBondContact O-N 2.62Å; A301-S305 VanDerWaalsContact O-N 3.08Å; F302-S305 PolarHBondContact O-N 3.26Å; S305-Q307 PolarHBondContact O-N 3.33Å; S305-L308 PolarHBondContact O-N 3.26Å; S305-G309 PolarHBondContact O-N 3.33Å
306S96.9Very high96.4Very high4 Ų45.4 Ų5.43%0.0283%0.028CC..Hα-helixtrans-65-37.2176.3720000114T283 F302 S303 T304 L310 Y420T283-S306 WeakPolarHBondContact CG2-O 3.27Å; F302-S306 PolarHBondContact O-N 3.21Å; S303-S306 WeakPolarHBondContact CA-OG 3.48Å; S303-S306 PolarHBondContact O-OG 3.42Å; T304-S306 PolarHBondContact O-N 3.41Å; S306-L310 PolarHBondContact O-N 2.92Å; S306-Y420 PolarHBondContact OG-OH 3.43Å; S306-Y420 VanDerWaalsContact OG-OH 3.13Å
307Q97.2Very high96.3Very high1 Ų16.3 Ų6.31%0.0053%0.033CC..Hα-helixtrans-77.3-33.4178.6-63.5-60.8-19.500111.5S303 T304 S305 G309 L310 M311 H326S303-Q307 VanDerWaalsContact O-CG 3.32Å; S303-Q307 WeakPolarHBondContact O-CG 3.17Å; S303-Q307 PolarHBondContact O-N 3.11Å; T304-Q307 PolarHBondContact O-N 2.9Å; S305-Q307 PolarHBondContact O-N 3.33Å; Q307-G309 VanDerWaalsContact C-N 3.32Å; Q307-L310 CarbonylContact O-C 3.6Å; Q307-L310 WeakPolarHBondContact O-CA 3.36Å; Q307-L310 WeakPolarHBondContact O-CB 3.25Å; Q307-L310 PolarHBondContact O-N 3.38Å; Q307-L310 VanDerWaalsContact O-N 3.1Å; Q307-M311 VanDerWaalsContact O-CG 3.32Å; Q307-M311 WeakPolarHBondContact O-CG 3.29Å; Q307-M311 PolarHBondContact O-N 2.93Å; Q307-H326 PolarHBondContact OE1-NE2 2.87Å; Q307-H326 VanDerWaalsContact OE1-NE2 3.17Å
308L95.8Very high96.2Very high1 Ų18 Ų81%0.0054%0.042CC..Hα-helixtrans-66.7-35.2173.9-66.3158.9000111.7Q224 V251 V252 I255 T304 S305 L310 M311 M312Q224-L308 PolarHBondContact NE2-O 2.82Å; V251-L308 HydrophobicContact CB-CD1 3.85Å; V251-L308 HydrophobicContact CG1-CD1 3.11Å; V251-L308 HydrophobicContact CG1-CD2 4.3Å; V251-L308 HydrophobicContact CG1-CG 4.3Å; V252-L308 HydrophobicContact CG2-CD2 4.23Å; I255-L308 HydrophobicContact CD1-CB 3.82Å; I255-L308 HydrophobicContact CD1-CD2 3.34Å; I255-L308 HydrophobicContact CD1-CG 4.17Å; T304-L308 WeakPolarHBondContact O-CD1 3.1Å; T304-L308 VanDerWaalsContact O-CG 3.22Å; T304-L308 WeakPolarHBondContact O-CG 3.17Å; T304-L308 PolarHBondContact O-N 3.04Å; S305-L308 PolarHBondContact O-N 3.26Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L308-M311 HydrophobicContact CD2-SD 3.95Å; L308-M311 PolarHBondContact O-N 2.93Å; L308-M312 PolarHBondContact O-N 3.23Å
309G97.1Very high96.1Very high0 Ų07.3 Ų7.30%04%0.04CC..Hα-helixtrans-63.9-38.1168.400000112.2G279 T282 S305 Q307 M312 V313G279-G309 WeakPolarHBondContact CA-O 3.38Å; T282-G309 VanDerWaalsContact OG1-CA 3.22Å; T282-G309 WeakPolarHBondContact OG1-CA 3.12Å; S305-G309 PolarHBondContact O-N 3.33Å; Q307-G309 VanDerWaalsContact C-N 3.32Å; G309-M312 WeakPolarHBondContact O-CB 3.35Å; G309-M312 PolarHBondContact O-N 3.02Å; G309-M312 VanDerWaalsContact O-N 3.11Å; G309-V313 WeakPolarHBondContact O-CG2 3.35Å; G309-V313 PolarHBondContact O-N 3.27Å
310L97.1Very high96Very high10 Ų107.3 Ų7.35%0.0524%0.04CC..Hα-helixtrans-66.1-39.8176.2-179.7141000111T283 S306 Q307 L308 M312 V313 T314 K390 I393 T414T283-L310 HydrophobicContact CG2-CB 4.06Å; S306-L310 PolarHBondContact O-N 2.92Å; Q307-L310 CarbonylContact O-C 3.6Å; Q307-L310 WeakPolarHBondContact O-CA 3.36Å; Q307-L310 WeakPolarHBondContact O-CB 3.25Å; Q307-L310 PolarHBondContact O-N 3.38Å; Q307-L310 VanDerWaalsContact O-N 3.1Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L310-M312 VanDerWaalsContact C-N 3.3Å; L310-M312 PolarHBondContact O-N 3.29Å; L310-V313 WeakPolarHBondContact O-CB 3.32Å; L310-V313 PolarHBondContact O-N 3.41Å; L310-T314 WeakPolarHBondContact O-CG2 3.29Å; L310-T314 PolarHBondContact O-N 3.17Å; L310-K390 HydrophobicContact CD1-CG 4.43Å; L310-I393 HydrophobicContact CD2-CB 4.5Å; L310-I393 HydrophobicContact CD2-CD1 3.67Å; L310-I393 HydrophobicContact CD2-CG2 3.85Å; L310-I393 HydrophobicContact CG-CG2 4.09Å; L310-T414 HydrophobicContact CD1-CG2 4.22Å
311M97.4Very high95.8Very high0 Ų010 Ų100%05%0.052CC..Hα-helixtrans-61.6-37.9170.2-63.8169.7-169.800111.9I255 Q307 L308 T314 I315 H326 I327 H330I255-M311 HydrophobicContact CD1-CB 3.86Å; I255-M311 HydrophobicContact CD1-SD 3.88Å; I255-M311 HydrophobicContact CG2-CB 3.97Å; Q307-M311 VanDerWaalsContact O-CG 3.32Å; Q307-M311 WeakPolarHBondContact O-CG 3.29Å; Q307-M311 PolarHBondContact O-N 2.93Å; L308-M311 HydrophobicContact CD2-SD 3.95Å; L308-M311 PolarHBondContact O-N 2.93Å; M311-T314 VanDerWaalsContact C-OG1 3.26Å; M311-T314 VanDerWaalsContact CA-OG1 3.31Å; M311-T314 WeakPolarHBondContact CA-OG1 3.38Å; M311-T314 PolarHBondContact O-N 2.9Å; M311-T314 PolarHBondContact O-OG1 3.03Å; M311-I315 WeakPolarHBondContact O-CG1 3.24Å; M311-I315 PolarHBondContact O-N 2.56Å; M311-H326 HydrophobicContact CE-CB 4.44Å; M311-H326 WeakPolarHBondContact CE-CD2 3.48Å; M311-H326 HydrophobicContact CG-CB 4.39Å; M311-I327 HydrophobicContact CE-CG1 3.99Å; M311-I327 HydrophobicContact SD-CD1 4.42Å; M311-I327 HydrophobicContact SD-CG1 3.48Å; M311-I327 WeakPolarHBondContact SD-CG1 3.17Å; M311-H330 HydrophobicContact CE-CB 3.67Å
312M96.8Very high95.8Very high0 Ų010.3 Ų10.30%05%0.054CC..Hα-helixtrans-66.5-38.9176.3-168.665.316500112L215 L258 T275 L278 L308 G309 L310 T314 I315 G316L215-M312 HydrophobicContact CD1-CE 4.48Å; L215-M312 HydrophobicContact CG-CE 4.21Å; L258-M312 HydrophobicContact CD1-CE 3.52Å; L258-M312 HydrophobicContact CD1-SD 3.43Å; L258-M312 WeakPolarHBondContact CD1-SD 3.21Å; T275-M312 HydrophobicContact CG2-CE 3.55Å; T275-M312 HydrophobicContact CG2-SD 4.4Å; T275-M312 WeakPolarHBondContact O-CG 3.1Å; L278-M312 HydrophobicContact CD2-CE 3.92Å; L278-M312 HydrophobicContact CD2-CG 4.21Å; L308-M312 PolarHBondContact O-N 3.23Å; G309-M312 WeakPolarHBondContact O-CB 3.35Å; G309-M312 PolarHBondContact O-N 3.02Å; G309-M312 VanDerWaalsContact O-N 3.11Å; L310-M312 VanDerWaalsContact C-N 3.3Å; L310-M312 PolarHBondContact O-N 3.29Å; M312-T314 VanDerWaalsContact C-N 3.3Å; M312-T314 PolarHBondContact O-N 3.08Å; M312-I315 PolarHBondContact O-N 2.9Å; M312-G316 PolarHBondContact O-N 3.06Å; M312-G316 VanDerWaalsContact O-N 3.08Å
313V97.2Very high95.7Very high8 Ų810.2 Ų10.25%0.0485%0.053CC..Hα-helixtrans-60.3-41.1171.9173.10000111L276 A280 G309 L310 I315 G316 I317 T410L276-V313 HydrophobicContact CD1-CG1 4.43Å; A280-V313 HydrophobicContact CB-CG2 4.18Å; G309-V313 WeakPolarHBondContact O-CG2 3.35Å; G309-V313 PolarHBondContact O-N 3.27Å; L310-V313 WeakPolarHBondContact O-CB 3.32Å; L310-V313 PolarHBondContact O-N 3.41Å; V313-I315 VanDerWaalsContact C-N 3.3Å; V313-I315 PolarHBondContact O-N 2.8Å; V313-G316 CarbonylContact O-C 3.21Å; V313-G316 WeakPolarHBondContact O-CA 3.4Å; V313-G316 PolarHBondContact O-N 2.92Å; V313-I317 PolarHBondContact O-N 3.41Å; V313-T410 HydrophobicContact CB-CG2 4.44Å; V313-T410 HydrophobicContact CG1-CG2 4.13Å; V313-T410 HydrophobicContact CG2-CG2 3.77Å
314T96.1Very high95.7Very high0 Ų010.2 Ų10.20%05%0.053CC..Hα-helixtrans-64.9-33.2179.553.40000113.9L310 M311 M312 G316 I317 Q319 A323 I393L310-T314 WeakPolarHBondContact O-CG2 3.29Å; L310-T314 PolarHBondContact O-N 3.17Å; M311-T314 VanDerWaalsContact C-OG1 3.26Å; M311-T314 VanDerWaalsContact CA-OG1 3.31Å; M311-T314 WeakPolarHBondContact CA-OG1 3.38Å; M311-T314 PolarHBondContact O-N 2.9Å; M311-T314 PolarHBondContact O-OG1 3.03Å; M312-T314 VanDerWaalsContact C-N 3.3Å; M312-T314 PolarHBondContact O-N 3.08Å; T314-G316 VanDerWaalsContact C-N 3.35Å; T314-I317 WeakPolarHBondContact O-CG1 3.46Å; T314-Q319 PolarHBondContact O-N 2.99Å; T314-A323 WeakPolarHBondContact OG1-CA 3.3Å; T314-A323 WeakPolarHBondContact OG1-CB 3.32Å; T314-I393 HydrophobicContact CG2-CB 3.83Å; T314-I393 HydrophobicContact CG2-CD1 3.67Å; T314-I393 HydrophobicContact CG2-CG1 3.41Å; T314-I393 VanDerWaalsContact CG2-CG1 3.41Å; T314-I393 HydrophobicContact CG2-CG2 3.19Å
315I95.4Very high95.6Very high8 Ų810.9 Ų10.94%0.0416%0.057CC..Hα-helixtrans-69.4-39.1172.4-64.4172.2000109.8I255 L258 I259 M311 M312 V313 I317 N318 A323I255-I315 HydrophobicContact CG2-CD1 3.58Å; L258-I315 HydrophobicContact CB-CD1 3.86Å; L258-I315 HydrophobicContact CB-CG2 4.38Å; L258-I315 HydrophobicContact CD1-CD1 4.48Å; I259-I315 HydrophobicContact CD1-CD1 4.49Å; I259-I315 HydrophobicContact CG1-CD1 3.87Å; I259-I315 HydrophobicContact CG1-CG1 4.26Å; M311-I315 WeakPolarHBondContact O-CG1 3.24Å; M311-I315 PolarHBondContact O-N 2.56Å; M312-I315 PolarHBondContact O-N 2.9Å; V313-I315 VanDerWaalsContact C-N 3.3Å; V313-I315 PolarHBondContact O-N 2.8Å; I315-I317 VanDerWaalsContact C-N 3.29Å; I315-I317 PolarHBondContact O-N 3.02Å; I315-N318 PolarHBondContact O-N 3.38Å; I315-A323 HydrophobicContact CG1-CB 3.95Å
316G94.9Very high95.6Very high6 Ų610.6 Ų10.66%0.0626%0.055CC..Hα-helixtrans-65.6-24.2177.500000115.2Q272 T275 M312 V313 T314 N318Q272-G316 WeakPolarHBondContact CB-O 3.5Å; Q272-G316 WeakPolarHBondContact O-CA 3.4Å; T275-G316 VanDerWaalsContact OG1-CA 3.26Å; T275-G316 WeakPolarHBondContact OG1-CA 3.29Å; M312-G316 PolarHBondContact O-N 3.06Å; M312-G316 VanDerWaalsContact O-N 3.08Å; V313-G316 CarbonylContact O-C 3.21Å; V313-G316 WeakPolarHBondContact O-CA 3.4Å; V313-G316 PolarHBondContact O-N 2.92Å; T314-G316 VanDerWaalsContact C-N 3.35Å; G316-N318 VanDerWaalsContact C-N 3.3Å
317I93.9Very high95.6Very high19 Ų1910.4 Ų10.410%0.0975%0.054CC..THydrogen-bonded Turntrans-90.913170.965.3178.7000113.4L276 V313 T314 I315 Q319 A397 T402L276-I317 HydrophobicContact CD1-CG2 3.52Å; V313-I317 PolarHBondContact O-N 3.41Å; T314-I317 WeakPolarHBondContact O-CG1 3.46Å; I315-I317 VanDerWaalsContact C-N 3.29Å; I315-I317 PolarHBondContact O-N 3.02Å; I317-Q319 HydrophobicContact CD1-CG 4.43Å; I317-Q319 HydrophobicContact CG1-CB 4.21Å; I317-Q319 HydrophobicContact CG1-CG 4.23Å; I317-Q319 PolarHBondContact O-N 2.89Å; I317-A397 HydrophobicContact CD1-CB 4.22Å; I317-T402 HydrophobicContact CB-CG2 4.44Å; I317-T402 HydrophobicContact CG2-CG2 3.45Å; I317-T402 VanDerWaalsContact CG2-CG2 3.45Å
318N93.4Very high95.5Very high40 Ų4010.4 Ų10.421%0.2145%0.054CC..THydrogen-bonded Turntrans64.833.6179.1-156.236.2000114.5H262 E266 I315 G316 P320H262-N318 PolarHBondContact CD2-OD1 3.46Å; H262-N318 PolarHBondContact NE2-OD1 3.22Å; E266-N318 PolarHBondContact OE1-ND2 2.83Å; I315-N318 PolarHBondContact O-N 3.38Å; G316-N318 VanDerWaalsContact C-N 3.3Å; N318-P320 VanDerWaalsContact C-CD 3.49Å; N318-P320 WeakPolarHBondContact O-CD 3.45Å
319Q93.9Very high95.5Very high43 Ų4310.4 Ų10.420%0.2015%0.053CC..  trans-121.669.1177.5-66.1-63.4-3200112.4T314 I317 H321 L322 A323 S474T314-Q319 PolarHBondContact O-N 2.99Å; I317-Q319 HydrophobicContact CD1-CG 4.43Å; I317-Q319 HydrophobicContact CG1-CB 4.21Å; I317-Q319 HydrophobicContact CG1-CG 4.23Å; I317-Q319 PolarHBondContact O-N 2.89Å; Q319-H321 PolarHBondContact O-N 3.09Å; Q319-L322 HydrophobicContact CB-CB 4.32Å; Q319-L322 HydrophobicContact CB-CD1 4.08Å; Q319-L322 HydrophobicContact CB-CG 4.47Å; Q319-L322 HydrophobicContact CG-CD1 4.36Å; Q319-L322 PolarHBondContact O-N 3.38Å; Q319-A323 PolarHBondContact O-N 2.99Å; Q319-S474 PolarHBondContact OE1-OG 2.85Å
320P94.1Very high95.5Very high2 Ų210.4 Ų10.41%0.0135%0.053CC..Hα-helixtrans-68.4-32.1-175.332.8-41.8000113.4I259 H262 N318 L322 A323 F324I259-P320 HydrophobicContact CG1-CB 4.31Å; I259-P320 HydrophobicContact CG2-CB 4.27Å; H262-P320 HydrophobicContact CB-CB 4.03Å; H262-P320 HydrophobicContact CB-CG 4.07Å; H262-P320 VanDerWaalsContact CD2-CG 3.42Å; H262-P320 WeakPolarHBondContact CD2-CG 3.28Å; H262-P320 VanDerWaalsContact CG-CG 3.44Å; N318-P320 VanDerWaalsContact C-CD 3.49Å; N318-P320 WeakPolarHBondContact O-CD 3.45Å; P320-L322 VanDerWaalsContact C-N 3.33Å; P320-L322 PolarHBondContact O-N 3.24Å; P320-A323 VanDerWaalsContact O-CB 3.31Å; P320-A323 WeakPolarHBondContact O-CB 3.45Å; P320-A323 PolarHBondContact O-N 2.95Å; P320-F324 PolarHBondContact O-N 3.35Å
321H94Very high95.4Very high59 Ų599.9 Ų9.927%0.2735%0.051SC..Hα-helixtrans-66.1-37.6-180-64.290.4000111.3Y82 F83 Q319 F324 L325Y82-H321 AromaticContact CE1-CD2 3.98Å; F83-H321 AromaticContact CZ-NE2 3.94Å; Q319-H321 PolarHBondContact O-N 3.09Å; H321-F324 PolarHBondContact O-N 3.35Å; H321-L325 WeakPolarHBondContact O-CB 3.24Å; H321-L325 PolarHBondContact O-N 2.87Å
322L94.4Very high95.4Very high6 Ų610.5 Ų10.53%0.0315%0.054CC..Hα-helixtrans-67.6-40.5172.7-72.7178.7000111.8Q319 P320 F324 L325 H326 H392 I393 T396 F476Q319-L322 HydrophobicContact CB-CB 4.32Å; Q319-L322 HydrophobicContact CB-CD1 4.08Å; Q319-L322 HydrophobicContact CB-CG 4.47Å; Q319-L322 HydrophobicContact CG-CD1 4.36Å; Q319-L322 PolarHBondContact O-N 3.38Å; P320-L322 VanDerWaalsContact C-N 3.33Å; P320-L322 PolarHBondContact O-N 3.24Å; L322-F324 VanDerWaalsContact C-N 3.28Å; L322-F324 PolarHBondContact O-N 2.95Å; L322-L325 PolarHBondContact O-N 3.43Å; L322-H326 PolarHBondContact O-N 2.82Å; L322-H392 HydrophobicContact CD1-CB 4.47Å; L322-H392 HydrophobicContact CD2-CB 4.09Å; L322-I393 HydrophobicContact CB-CG1 4.26Å; L322-T396 HydrophobicContact CD1-CG2 3.83Å; L322-F476 HydrophobicContact CD2-CE1 4.21Å
323A95.9Very high95.3Very high0 Ų010.5 Ų10.50%05%0.054CC..Hα-helixtrans-56.7-45.7173.200000111I259 T314 I315 Q319 P320 H326 I327I259-A323 HydrophobicContact CD1-CB 4.02Å; I259-A323 HydrophobicContact CG1-CB 4.38Å; T314-A323 WeakPolarHBondContact OG1-CA 3.3Å; T314-A323 WeakPolarHBondContact OG1-CB 3.32Å; I315-A323 HydrophobicContact CG1-CB 3.95Å; Q319-A323 PolarHBondContact O-N 2.99Å; P320-A323 VanDerWaalsContact O-CB 3.31Å; P320-A323 WeakPolarHBondContact O-CB 3.45Å; P320-A323 PolarHBondContact O-N 2.95Å; A323-H326 WeakPolarHBondContact O-CB 3.41Å; A323-H326 PolarHBondContact O-N 2.81Å; A323-I327 WeakPolarHBondContact O-CG1 3.15Å; A323-I327 PolarHBondContact O-N 3.28Å
324F95.7Very high95.3Very high0 Ų010.1 Ų10.10%05%0.051CC..Hα-helixtrans-66.4-40.1177.9-177.9-100.6000113.4Y82 F83 M86 F87 F256 I259 P320 H321 L322 H326 I327 C328Y82-F324 HydrophobicContact CD1-CD1 4.33Å; Y82-F324 HydrophobicContact CD1-CE1 4.48Å; Y82-F324 AromaticContact CE1-CD1 3.54Å; Y82-F324 HydrophobicContact CE1-CD1 3.54Å; Y82-F324 AromaticContact CE1-CE1 3.9Å; Y82-F324 HydrophobicContact CE1-CE1 3.9Å; Y82-F324 HydrophobicContact CE1-CG 4.47Å; Y82-F324 AromaticContact CZ-CD1 3.99Å; F83-F324 HydrophobicContact CB-CD2 4.39Å; F83-F324 HydrophobicContact CB-CE2 4.07Å; F83-F324 HydrophobicContact CB-CZ 4.34Å; F83-F324 HydrophobicContact CD1-CB 3.99Å; F83-F324 AromaticContact CD1-CD1 3.86Å; F83-F324 HydrophobicContact CD1-CD1 3.86Å; F83-F324 AromaticContact CD1-CD2 3.68Å; F83-F324 HydrophobicContact CD1-CD2 3.68Å; F83-F324 HydrophobicContact CD1-CE1 4.27Å; F83-F324 HydrophobicContact CD1-CE2 4.12Å; F83-F324 AromaticContact CD1-CG 3.54Å; F83-F324 HydrophobicContact CD1-CG 3.54Å; F83-F324 HydrophobicContact CD1-CZ 4.4Å; F83-F324 HydrophobicContact CE1-CB 3.99Å; F83-F324 HydrophobicContact CE1-CD1 4.4Å; F83-F324 HydrophobicContact CE1-CD2 4.49Å; F83-F324 HydrophobicContact CE1-CG 4.03Å; F83-F324 HydrophobicContact CG-CD2 4.45Å; F83-F324 WeakPolarHBondContact O-CE2 3.46Å; F83-F324 WeakPolarHBondContact O-CZ 3.4Å; M86-F324 HydrophobicContact CB-CE1 3.55Å; M86-F324 HydrophobicContact CB-CZ 3.76Å; M86-F324 HydrophobicContact CG-CE1 4.28Å; F87-F324 HydrophobicContact CB-CE2 4.04Å; F87-F324 HydrophobicContact CB-CZ 3.95Å; F87-F324 HydrophobicContact CD2-CE2 4.42Å; F256-F324 HydrophobicContact CD2-CE2 4.39Å; F256-F324 HydrophobicContact CE2-CE2 4.19Å; I259-F324 HydrophobicContact CD1-CB 4.12Å; P320-F324 PolarHBondContact O-N 3.35Å; H321-F324 PolarHBondContact O-N 3.35Å; L322-F324 VanDerWaalsContact C-N 3.28Å; L322-F324 PolarHBondContact O-N 2.95Å; F324-H326 VanDerWaalsContact C-N 3.28Å; F324-H326 PolarHBondContact O-N 2.75Å; F324-I327 WeakPolarHBondContact O-CB 3.18Å; F324-I327 PolarHBondContact O-N 3.44Å; F324-C328 VanDerWaalsContact CE1-SG 3.59Å; F324-C328 PolarHBondContact O-N 3.35Å; F324-C328 PolarHBondContact O-SG 3.42Å; F324-C328 VanDerWaalsContact O-SG 3.36Å
325L94.9Very high95.3Very high15 Ų1510.1 Ų10.18%0.0795%0.051CC..Hα-helixtrans-61.9-39.9173.6-165.5152.3000110.8H321 L322 C328 T329 I466 T467 I470H321-L325 WeakPolarHBondContact O-CB 3.24Å; H321-L325 PolarHBondContact O-N 2.87Å; L322-L325 PolarHBondContact O-N 3.43Å; L325-C328 PolarHBondContact O-N 3.16Å; L325-T329 HydrophobicContact CD2-CG2 4.16Å; L325-T329 WeakPolarHBondContact O-CG2 3.49Å; L325-T329 PolarHBondContact O-N 3.39Å; L325-T329 PolarHBondContact O-OG1 2.87Å; L325-T329 VanDerWaalsContact O-OG1 3.09Å; L325-I466 HydrophobicContact CG-CG2 4.48Å; L325-T467 HydrophobicContact CD1-CG2 3.74Å; L325-T467 HydrophobicContact CD2-CG2 4.04Å; L325-T467 HydrophobicContact CG-CG2 4.37Å; L325-I470 HydrophobicContact CD1-CD1 3.67Å; L325-I470 HydrophobicContact CG-CD1 4.38Å
326H96.4Very high95.3Very high1 Ų19.8 Ų9.81%0.0055%0.049CC..Hα-helixtrans-64.7-40.4173.3-163.658.6000112.2Q307 M311 L322 A323 F324 C328 T329 H330 S389 I393Q307-H326 PolarHBondContact OE1-NE2 2.87Å; Q307-H326 VanDerWaalsContact OE1-NE2 3.17Å; M311-H326 HydrophobicContact CE-CB 4.44Å; M311-H326 WeakPolarHBondContact CE-CD2 3.48Å; M311-H326 HydrophobicContact CG-CB 4.39Å; L322-H326 PolarHBondContact O-N 2.82Å; A323-H326 WeakPolarHBondContact O-CB 3.41Å; A323-H326 PolarHBondContact O-N 2.81Å; F324-H326 VanDerWaalsContact C-N 3.28Å; F324-H326 PolarHBondContact O-N 2.75Å; H326-C328 VanDerWaalsContact C-N 3.32Å; H326-C328 PolarHBondContact O-N 3.29Å; H326-T329 WeakPolarHBondContact CA-OG1 3.31Å; H326-T329 PolarHBondContact O-N 3.35Å; H326-T329 PolarHBondContact O-OG1 2.68Å; H326-T329 VanDerWaalsContact O-OG1 3.09Å; H326-H330 WeakPolarHBondContact O-CA 3.49Å; H326-H330 WeakPolarHBondContact O-CB 3.33Å; H326-H330 PolarHBondContact O-N 3.2Å; H326-S389 WeakPolarHBondContact ND1-CB 3.21Å; H326-S389 PolarHBondContact ND1-OG 2.97Å; H326-I393 HydrophobicContact CB-CD1 3.8Å
327I96.4Very high95.4Very high0 Ų09.5 Ų9.50%05%0.047CC..Hα-helixtrans-54.3-49.2172.7-73.3165.6000111.1F87 V252 I255 I259 M311 A323 F324 H330 A331F87-I327 HydrophobicContact CD2-CG2 4.21Å; F87-I327 HydrophobicContact CE2-CG2 4.04Å; V252-I327 HydrophobicContact CB-CG2 4.47Å; V252-I327 HydrophobicContact CG1-CB 4.23Å; V252-I327 HydrophobicContact CG1-CD1 3.71Å; V252-I327 HydrophobicContact CG1-CG1 3.84Å; V252-I327 HydrophobicContact CG1-CG2 3.36Å; V252-I327 HydrophobicContact CG2-CG2 4.3Å; I255-I327 HydrophobicContact CB-CD1 4.44Å; I255-I327 HydrophobicContact CG2-CD1 3.85Å; I259-I327 HydrophobicContact CD1-CD1 3.59Å; M311-I327 HydrophobicContact CE-CG1 3.99Å; M311-I327 HydrophobicContact SD-CD1 4.42Å; M311-I327 HydrophobicContact SD-CG1 3.48Å; M311-I327 WeakPolarHBondContact SD-CG1 3.17Å; A323-I327 WeakPolarHBondContact O-CG1 3.15Å; A323-I327 PolarHBondContact O-N 3.28Å; F324-I327 WeakPolarHBondContact O-CB 3.18Å; F324-I327 PolarHBondContact O-N 3.44Å; I327-H330 PolarHBondContact O-N 3.02Å; I327-A331 PolarHBondContact O-N 3.13Å; I327-A331 VanDerWaalsContact O-N 3.1Å
328C95.6Very high95.5Very high1 Ų18.6 Ų8.61%0.0074%0.042CC..Hα-helixtrans-64-45.7-177.7-65.70000111.7V90 F324 L325 H326 F332 I466V90-C328 HydrophobicContact CG2-CB 4.34Å; F324-C328 VanDerWaalsContact CE1-SG 3.59Å; F324-C328 PolarHBondContact O-N 3.35Å; F324-C328 PolarHBondContact O-SG 3.42Å; F324-C328 VanDerWaalsContact O-SG 3.36Å; L325-C328 PolarHBondContact O-N 3.16Å; H326-C328 VanDerWaalsContact C-N 3.32Å; H326-C328 PolarHBondContact O-N 3.29Å; C328-F332 WeakPolarHBondContact O-CD2 3.43Å; C328-F332 WeakPolarHBondContact O-CE2 3.26Å; C328-I466 HydrophobicContact CB-CD1 4.26Å
329T95.5Very high95.7Very high0 Ų06.7 Ų6.70%03%0.032CC..Hα-helixtrans-69-38.6178.755.10000112.3L325 H326 A331 F332 F333 T385 S389L325-T329 HydrophobicContact CD2-CG2 4.16Å; L325-T329 WeakPolarHBondContact O-CG2 3.49Å; L325-T329 PolarHBondContact O-N 3.39Å; L325-T329 PolarHBondContact O-OG1 2.87Å; L325-T329 VanDerWaalsContact O-OG1 3.09Å; H326-T329 WeakPolarHBondContact CA-OG1 3.31Å; H326-T329 PolarHBondContact O-N 3.35Å; H326-T329 PolarHBondContact O-OG1 2.68Å; H326-T329 VanDerWaalsContact O-OG1 3.09Å; T329-A331 VanDerWaalsContact C-N 3.33Å; T329-A331 PolarHBondContact O-N 3.08Å; T329-F332 PolarHBondContact O-N 3.24Å; T329-F333 WeakPolarHBondContact O-CD1 3.26Å; T329-F333 VanDerWaalsContact O-CE1 3.28Å; T329-F333 WeakPolarHBondContact O-CE1 3.01Å; T329-T385 WeakPolarHBondContact CG2-O 3.49Å; T329-S389 PolarHBondContact OG1-OG 2.86Å
330H96.1Very high95.8Very high0 Ų04.6 Ų4.60%02%0.022CC..Hα-helixtrans-58.5-40.1176.4176.8-92.3000113.4S247 M311 H326 I327 F332 F333 K334S247-H330 PolarHBondContact O-ND1 3.21Å; S247-H330 VanDerWaalsContact O-ND1 3.08Å; M311-H330 HydrophobicContact CE-CB 3.67Å; H326-H330 WeakPolarHBondContact O-CA 3.49Å; H326-H330 WeakPolarHBondContact O-CB 3.33Å; H326-H330 PolarHBondContact O-N 3.2Å; I327-H330 PolarHBondContact O-N 3.02Å; H330-F332 VanDerWaalsContact C-N 3.29Å; H330-F332 PolarHBondContact O-N 2.86Å; H330-F333 HydrophobicContact CB-CE1 4.32Å; H330-F333 HydrophobicContact CB-CE2 4.4Å; H330-F333 HydrophobicContact CB-CZ 3.9Å; H330-F333 AromaticContact CD2-CE2 3.82Å; H330-F333 AromaticContact CD2-CZ 3.96Å; H330-K334 VanDerWaalsContact CD2-CE 3.5Å; H330-K334 WeakPolarHBondContact CD2-CE 3.41Å; H330-K334 VanDerWaalsContact CE1-CG 3.45Å; H330-K334 WeakPolarHBondContact CE1-CG 3.5Å; H330-K334 WeakPolarHBondContact NE2-CE 3.49Å; H330-K334 VanDerWaalsContact NE2-CG 3.27Å; H330-K334 WeakPolarHBondContact NE2-CG 3.19Å; H330-K334 WeakPolarHBondContact O-CB 3.35Å; H330-K334 WeakPolarHBondContact O-CG 3.22Å; H330-K334 PolarHBondContact O-N 2.87Å
331A96.2Very high95.9Very high0 Ų04.5 Ų4.50%02%0.022CC..Hα-helixtrans-53.7-45178.100000112.2V90 V94 I327 T329 A335V90-A331 HydrophobicContact CG1-CB 3.71Å; V94-A331 HydrophobicContact CG2-CB 4.22Å; I327-A331 PolarHBondContact O-N 3.13Å; I327-A331 VanDerWaalsContact O-N 3.1Å; T329-A331 VanDerWaalsContact C-N 3.33Å; T329-A331 PolarHBondContact O-N 3.08Å; A331-A335 WeakPolarHBondContact O-CB 3.35Å; A331-A335 PolarHBondContact O-N 3.24Å; A331-A335 VanDerWaalsContact O-N 3.14Å
332F95.8Very high96Very high12 Ų121.7 Ų1.75%0.0531%0.008CC..Hα-helixtrans-66.3-57.5-177.9-65.9-81.1000112.6V90 F93 C328 T329 H330 K334 A335 M336 L455 A462 I466V90-F332 HydrophobicContact CG1-CE2 4.01Å; V90-F332 HydrophobicContact CG1-CZ 4.21Å; V90-F332 HydrophobicContact CG2-CE2 4.14Å; V90-F332 HydrophobicContact CG2-CZ 4.16Å; F93-F332 HydrophobicContact CD1-CD1 4.01Å; F93-F332 AromaticContact CD1-CE1 3.43Å; F93-F332 HydrophobicContact CD1-CE1 3.43Å; F93-F332 VanDerWaalsContact CD1-CE1 3.43Å; F93-F332 HydrophobicContact CD1-CZ 4.48Å; F93-F332 HydrophobicContact CE1-CD1 4.01Å; F93-F332 AromaticContact CE1-CE1 3.67Å; F93-F332 HydrophobicContact CE1-CE1 3.67Å; F93-F332 HydrophobicContact CG-CE1 4.31Å; C328-F332 WeakPolarHBondContact O-CD2 3.43Å; C328-F332 WeakPolarHBondContact O-CE2 3.26Å; T329-F332 PolarHBondContact O-N 3.24Å; H330-F332 VanDerWaalsContact C-N 3.29Å; H330-F332 PolarHBondContact O-N 2.86Å; F332-K334 PolarHBondContact O-N 3.32Å; F332-A335 PolarHBondContact O-N 2.97Å; F332-M336 WeakPolarHBondContact O-CB 3.32Å; F332-M336 PolarHBondContact O-N 3.5Å; F332-L455 HydrophobicContact CD1-CD2 4.04Å; F332-A462 HydrophobicContact CD2-CB 4.01Å; F332-A462 HydrophobicContact CE1-CB 4.23Å; F332-A462 HydrophobicContact CE2-CB 3.61Å; F332-A462 HydrophobicContact CZ-CB 3.74Å; F332-I466 HydrophobicContact CE2-CD1 4.47Å
333F95.3Very high96.1Very high1 Ų11.4 Ų1.40%0.0041%0.007CC..Hα-helixtrans-71.9-30.2-173.259.3-107.2000112.8T329 H330 L337 A377 L378T329-F333 WeakPolarHBondContact O-CD1 3.26Å; T329-F333 VanDerWaalsContact O-CE1 3.28Å; T329-F333 WeakPolarHBondContact O-CE1 3.01Å; H330-F333 HydrophobicContact CB-CE1 4.32Å; H330-F333 HydrophobicContact CB-CE2 4.4Å; H330-F333 HydrophobicContact CB-CZ 3.9Å; H330-F333 AromaticContact CD2-CE2 3.82Å; H330-F333 AromaticContact CD2-CZ 3.96Å; F333-L337 VanDerWaalsContact O-CG 3.29Å; F333-L337 WeakPolarHBondContact O-CG 3.15Å; F333-L337 PolarHBondContact O-N 3.46Å; F333-A377 HydrophobicContact CB-CB 4.05Å; F333-A377 HydrophobicContact CD1-CB 4.35Å; F333-A377 HydrophobicContact CG-CB 4.37Å; F333-L378 HydrophobicContact CD2-CB 4.14Å; F333-L378 HydrophobicContact CE2-CB 4.16Å; F333-L378 HydrophobicContact CE2-CG 4.31Å
334K96.4Very high96.1Very high0 Ų01.4 Ų1.40%01%0.007CC..Hα-helixtrans-72.5-43.6174.5-69.2-58.5-165.6-174.30113S303 T304 H330 F332 M336 L337 F338 L378S303-K334 VanDerWaalsContact CB-NZ 3.31Å; S303-K334 PolarHBondContact O-NZ 3.01Å; S303-K334 PolarHBondContact OG-NZ 3.01Å; T304-K334 HydrophobicContact CG2-CD 3.72Å; T304-K334 HydrophobicContact CG2-CG 3.96Å; H330-K334 VanDerWaalsContact CD2-CE 3.5Å; H330-K334 WeakPolarHBondContact CD2-CE 3.41Å; H330-K334 VanDerWaalsContact CE1-CG 3.45Å; H330-K334 WeakPolarHBondContact CE1-CG 3.5Å; H330-K334 WeakPolarHBondContact NE2-CE 3.49Å; H330-K334 VanDerWaalsContact NE2-CG 3.27Å; H330-K334 WeakPolarHBondContact NE2-CG 3.19Å; H330-K334 WeakPolarHBondContact O-CB 3.35Å; H330-K334 WeakPolarHBondContact O-CG 3.22Å; H330-K334 PolarHBondContact O-N 2.87Å; F332-K334 PolarHBondContact O-N 3.32Å; K334-M336 PolarHBondContact O-N 3.47Å; K334-L337 HydrophobicContact CD-CD1 4.36Å; K334-L337 PolarHBondContact O-N 3.45Å; K334-F338 WeakPolarHBondContact O-CD2 3.22Å; K334-F338 PolarHBondContact O-N 2.91Å; K334-L378 HydrophobicContact CD-CD1 4.39Å
335A96.2Very high96.1Very high0 Ų01.4 Ų1.40%01%0.007CC..Hα-helixtrans-59.1-41.1175.500000110.2V94 A331 F332 F338 M339 L455V94-A335 HydrophobicContact CG1-CB 3.64Å; A331-A335 WeakPolarHBondContact O-CB 3.35Å; A331-A335 PolarHBondContact O-N 3.24Å; A331-A335 VanDerWaalsContact O-N 3.14Å; F332-A335 PolarHBondContact O-N 2.97Å; A335-F338 PolarHBondContact O-N 2.9Å; A335-M339 WeakPolarHBondContact O-CG 3.48Å; A335-M339 PolarHBondContact O-N 2.95Å; A335-L455 HydrophobicContact CB-CD1 3.72Å; A335-L455 HydrophobicContact CB-CD2 4.48Å
336M96.2Very high96.1Very high0 Ų03.9 Ų3.90%02%0.018CC..Hα-helixtrans-59.8-49.2173.8-170.6172.762.200112.6F332 K334 F338 M339 C340 S370 I373 L455 T456 S459F332-M336 WeakPolarHBondContact O-CB 3.32Å; F332-M336 PolarHBondContact O-N 3.5Å; K334-M336 PolarHBondContact O-N 3.47Å; M336-F338 VanDerWaalsContact C-N 3.35Å; M336-F338 PolarHBondContact O-N 3.49Å; M336-M339 PolarHBondContact O-N 3.5Å; M336-C340 WeakPolarHBondContact O-CB 3.32Å; M336-C340 PolarHBondContact O-N 3.43Å; M336-C340 PolarHBondContact O-SG 3.41Å; M336-S370 VanDerWaalsContact CE-O 3.27Å; M336-S370 WeakPolarHBondContact CE-O 3.31Å; M336-I373 HydrophobicContact CE-CG2 4.36Å; M336-L455 HydrophobicContact CB-CB 4.1Å; M336-L455 HydrophobicContact CG-CB 4.41Å; M336-T456 VanDerWaalsContact SD-CA 3.57Å; M336-T456 HydrophobicContact SD-CG2 3.36Å; M336-T456 WeakPolarHBondContact SD-CG2 3.39Å; M336-S459 WeakPolarHBondContact CE-OG 3.33Å
337L96.9Very high96Very high0 Ų04.2 Ų4.20%02%0.02CC..Hα-helixtrans-59.5-42.6178.3-74.2171.3000112.2V300 F333 K334 S341 L371 L378 M424V300-L337 HydrophobicContact CG1-CB 4.2Å; V300-L337 HydrophobicContact CG2-CB 4.45Å; F333-L337 VanDerWaalsContact O-CG 3.29Å; F333-L337 WeakPolarHBondContact O-CG 3.15Å; F333-L337 PolarHBondContact O-N 3.46Å; K334-L337 HydrophobicContact CD-CD1 4.36Å; K334-L337 PolarHBondContact O-N 3.45Å; L337-S341 WeakPolarHBondContact O-CB 3.48Å; L337-S341 PolarHBondContact O-N 2.63Å; L337-S341 PolarHBondContact O-OG 3.33Å; L337-L371 HydrophobicContact CD2-CD1 4.16Å; L337-L371 HydrophobicContact CD2-CG 4.31Å; L337-L378 HydrophobicContact CD1-CD1 3.66Å; L337-M424 HydrophobicContact CD2-CE 4.43Å
338F97.2Very high95.9Very high0 Ų04.8 Ų4.80%02%0.023CC..Hα-helixtrans-66.5-41.7176.9-83.1-67.6000112.5M235 A243 H246 V300 T304 K334 A335 M336 S341 G342M235-F338 HydrophobicContact CE-CE1 4.48Å; M235-F338 HydrophobicContact CE-CZ 4.31Å; M235-F338 HydrophobicContact SD-CE1 3.8Å; M235-F338 HydrophobicContact SD-CZ 4.19Å; A243-F338 HydrophobicContact CB-CB 3.54Å; A243-F338 HydrophobicContact CB-CG 4.29Å; H246-F338 HydrophobicContact CB-CE2 3.91Å; H246-F338 HydrophobicContact CB-CZ 4.11Å; V300-F338 HydrophobicContact CB-CD1 4.41Å; V300-F338 HydrophobicContact CB-CE1 3.95Å; V300-F338 HydrophobicContact CB-CE2 4.45Å; V300-F338 HydrophobicContact CB-CZ 3.98Å; V300-F338 HydrophobicContact CG1-CD1 4.07Å; V300-F338 HydrophobicContact CG1-CD2 3.77Å; V300-F338 HydrophobicContact CG1-CE1 3.79Å; V300-F338 HydrophobicContact CG1-CE2 3.47Å; V300-F338 VanDerWaalsContact CG1-CE2 3.47Å; V300-F338 HydrophobicContact CG1-CG 4.06Å; V300-F338 HydrophobicContact CG1-CZ 3.48Å; V300-F338 VanDerWaalsContact CG1-CZ 3.48Å; T304-F338 HydrophobicContact CG2-CE2 4.21Å; K334-F338 WeakPolarHBondContact O-CD2 3.22Å; K334-F338 PolarHBondContact O-N 2.91Å; A335-F338 PolarHBondContact O-N 2.9Å; M336-F338 VanDerWaalsContact C-N 3.35Å; M336-F338 PolarHBondContact O-N 3.49Å; F338-S341 WeakPolarHBondContact CA-OG 3.33Å; F338-S341 PolarHBondContact O-N 2.95Å; F338-S341 PolarHBondContact O-OG 3.24Å; F338-G342 PolarHBondContact O-N 3.07Å
339M95.9Very high95.8Very high0 Ų09.2 Ų9.20%05%0.046CC..Hα-helixtrans-66.4-40.7176.6-69-171-3400112.3F101 A335 M336 S341 G342 S343 P451 I452 L455F101-M339 HydrophobicContact CB-CG 4.48Å; F101-M339 HydrophobicContact CB-SD 3.96Å; F101-M339 HydrophobicContact CD1-CG 4.23Å; F101-M339 HydrophobicContact CD2-CB 4.38Å; F101-M339 HydrophobicContact CD2-CG 4.4Å; F101-M339 HydrophobicContact CE2-CB 4.43Å; F101-M339 HydrophobicContact CG-CG 4.12Å; F101-M339 HydrophobicContact CG-SD 4.2Å; A335-M339 WeakPolarHBondContact O-CG 3.48Å; A335-M339 PolarHBondContact O-N 2.95Å; M336-M339 PolarHBondContact O-N 3.5Å; M339-S341 VanDerWaalsContact C-N 3.31Å; M339-S341 PolarHBondContact O-N 3.49Å; M339-G342 PolarHBondContact O-N 2.85Å; M339-S343 PolarHBondContact O-N 3.16Å; M339-S343 PolarHBondContact O-OG 2.94Å; M339-P451 HydrophobicContact CE-CB 4.19Å; M339-P451 HydrophobicContact SD-CB 4.18Å; M339-I452 HydrophobicContact CE-CG1 3.92Å; M339-L455 HydrophobicContact CE-CB 4.28Å; M339-L455 HydrophobicContact CE-CD1 3.16Å; M339-L455 HydrophobicContact CE-CG 4.09Å; M339-L455 HydrophobicContact SD-CD1 3.82Å
340C96.9Very high95.6Very high0 Ų014.2 Ų14.20%07%0.073CC..Hα-helixtrans-63.3-39.7174.2-61.70000111.1M336 G342 S343 I344 S370 L371M336-C340 WeakPolarHBondContact O-CB 3.32Å; M336-C340 PolarHBondContact O-N 3.43Å; M336-C340 PolarHBondContact O-SG 3.41Å; C340-G342 VanDerWaalsContact C-N 3.34Å; C340-S343 WeakPolarHBondContact CA-OG 3.31Å; C340-S343 PolarHBondContact O-N 2.99Å; C340-S343 PolarHBondContact O-OG 3.46Å; C340-I344 WeakPolarHBondContact O-CD1 3.49Å; C340-I344 VanDerWaalsContact O-CG1 3.25Å; C340-I344 WeakPolarHBondContact O-CG1 3.35Å; C340-I344 PolarHBondContact O-N 3.37Å; C340-I344 VanDerWaalsContact O-N 3.13Å; C340-S370 PolarHBondContact SG-OG 3.28Å; C340-L371 HydrophobicContact CB-CB 4.24Å; C340-L371 HydrophobicContact CB-CD1 3.75Å
341S96.4Very high95.5Very high0 Ų016.9 Ų16.90%09%0.085CC..Hα-helixtrans-64-41.2173.477.60000111.4L337 F338 M339 S343 I344 I345L337-S341 WeakPolarHBondContact O-CB 3.48Å; L337-S341 PolarHBondContact O-N 2.63Å; L337-S341 PolarHBondContact O-OG 3.33Å; F338-S341 WeakPolarHBondContact CA-OG 3.33Å; F338-S341 PolarHBondContact O-N 2.95Å; F338-S341 PolarHBondContact O-OG 3.24Å; M339-S341 VanDerWaalsContact C-N 3.31Å; M339-S341 PolarHBondContact O-N 3.49Å; S341-S343 PolarHBondContact O-N 3.43Å; S341-I344 PolarHBondContact O-N 3.32Å; S341-I345 WeakPolarHBondContact O-CB 3.16Å; S341-I345 WeakPolarHBondContact O-CD1 3.41Å; S341-I345 WeakPolarHBondContact O-CG1 3.4Å; S341-I345 PolarHBondContact O-N 3.09Å
342G96Very high95.5Very high0 Ų019.6 Ų19.60%010%0.098CC..Hα-helixtrans-65.3-37.6178.500000113.2F338 M339 C340 I345 H346F338-G342 PolarHBondContact O-N 3.07Å; M339-G342 PolarHBondContact O-N 2.85Å; C340-G342 VanDerWaalsContact C-N 3.34Å; G342-I345 PolarHBondContact O-N 3.18Å; G342-H346 WeakPolarHBondContact O-CB 3.48Å; G342-H346 PolarHBondContact O-N 3.21Å
343S96.4Very high95.6Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-66.2-39.7173.7600000112.6M339 C340 S341 N347 T367M339-S343 PolarHBondContact O-N 3.16Å; M339-S343 PolarHBondContact O-OG 2.94Å; C340-S343 WeakPolarHBondContact CA-OG 3.31Å; C340-S343 PolarHBondContact O-N 2.99Å; C340-S343 PolarHBondContact O-OG 3.46Å; S341-S343 PolarHBondContact O-N 3.43Å; S343-N347 VanDerWaalsContact O-CB 3.3Å; S343-N347 WeakPolarHBondContact O-CB 3.49Å; S343-N347 PolarHBondContact O-N 3.31Å; S343-N347 VanDerWaalsContact O-N 3.08Å; S343-T367 VanDerWaalsContact OG-CG2 3.25Å; S343-T367 WeakPolarHBondContact OG-CG2 3.42Å
344I96.4Very high95.6Very high0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-65.2-46.9175.8-66.6166.5000109.9C340 S341 H346 N347 L348 M357 L360C340-I344 WeakPolarHBondContact O-CD1 3.49Å; C340-I344 VanDerWaalsContact O-CG1 3.25Å; C340-I344 WeakPolarHBondContact O-CG1 3.35Å; C340-I344 PolarHBondContact O-N 3.37Å; C340-I344 VanDerWaalsContact O-N 3.13Å; S341-I344 PolarHBondContact O-N 3.32Å; I344-H346 PolarHBondContact O-N 2.99Å; I344-N347 PolarHBondContact O-N 3.19Å; I344-L348 HydrophobicContact CG2-CD1 3.74Å; I344-L348 HydrophobicContact CG2-CG 4.46Å; I344-L348 WeakPolarHBondContact O-CB 3.4Å; I344-L348 WeakPolarHBondContact O-CG 3.17Å; I344-L348 PolarHBondContact O-N 2.96Å; I344-M357 HydrophobicContact CG2-CE 3.89Å; I344-M357 HydrophobicContact CG2-SD 3.72Å; I344-L360 HydrophobicContact CB-CD1 4.5Å; I344-L360 HydrophobicContact CD1-CD1 4.16Å; I344-L360 HydrophobicContact CG1-CD1 4.09Å; I344-L360 HydrophobicContact CG2-CD1 3.61Å
345I95.8Very high95.5Very high0 Ų026.9 Ų26.90%013%0.127CC..Hα-helixtrans-59.9-48.6-179.8-69162.4000111T239 I296 K297 S341 G342 L348 N349 N350 Q352T239-I345 HydrophobicContact CG2-CD1 3.98Å; I296-I345 HydrophobicContact CG2-CD1 3.91Å; I296-I345 HydrophobicContact CG2-CG1 4.24Å; K297-I345 HydrophobicContact CD-CD1 3.98Å; K297-I345 HydrophobicContact CG-CD1 3.88Å; S341-I345 WeakPolarHBondContact O-CB 3.16Å; S341-I345 WeakPolarHBondContact O-CD1 3.41Å; S341-I345 WeakPolarHBondContact O-CG1 3.4Å; S341-I345 PolarHBondContact O-N 3.09Å; G342-I345 PolarHBondContact O-N 3.18Å; I345-L348 CarbonylContact O-C 3.47Å; I345-L348 PolarHBondContact O-N 2.71Å; I345-N349 PolarHBondContact O-N 3.3Å; I345-N350 WeakPolarHBondContact O-CA 3.23Å; I345-N350 PolarHBondContact O-N 3.14Å; I345-Q352 HydrophobicContact CD1-CG 4.03Å; I345-Q352 HydrophobicContact CG1-CG 4.09Å; I345-Q352 HydrophobicContact CG2-CG 4.07Å
346H94.6Very high95.4Very high67 Ų6731 Ų3131%0.3115%0.145SC..Hα-helixtrans-68.9-37.9-177.1-173.3-81.3000112W104 Y105 G342 I344 L348 N349W104-H346 HydrophobicContact CH2-CB 3.61Å; W104-H346 AromaticContact CH2-CG 3.72Å; W104-H346 AromaticContact CH2-ND1 3.55Å; W104-H346 HydrophobicContact CZ2-CB 4.45Å; W104-H346 AromaticContact CZ2-ND1 3.51Å; W104-H346 HydrophobicContact CZ3-CB 3.93Å; Y105-H346 HydrophobicContact CD2-CB 4.14Å; Y105-H346 HydrophobicContact CE2-CB 4Å; G342-H346 WeakPolarHBondContact O-CB 3.48Å; G342-H346 PolarHBondContact O-N 3.21Å; I344-H346 PolarHBondContact O-N 2.99Å; H346-L348 VanDerWaalsContact C-N 3.29Å; H346-L348 PolarHBondContact O-N 2.94Å; H346-N349 PolarHBondContact O-N 3.38Å
347N94.4Very high95.4Very high8 Ų831.1 Ų31.14%0.04315%0.145CC..Hα-helixtrans-73.6-18.9176.5-75.9-10.5000113.9S343 I344 M364 I441 N442S343-N347 VanDerWaalsContact O-CB 3.3Å; S343-N347 WeakPolarHBondContact O-CB 3.49Å; S343-N347 PolarHBondContact O-N 3.31Å; S343-N347 VanDerWaalsContact O-N 3.08Å; I344-N347 PolarHBondContact O-N 3.19Å; N347-M364 HydrophobicContact CB-CE 4.38Å; N347-M364 HydrophobicContact CB-SD 4.01Å; N347-M364 WeakPolarHBondContact ND2-CE 3.35Å; N347-M364 PolarHBondContact ND2-SD 3.27Å; N347-I441 HydrophobicContact CB-CG2 4.41Å; N347-N442 PolarHBondContact ND2-O 3.08Å; N347-N442 PolarHBondContact OD1-O 3.28Å
348L94.1Very high95.3Very high11 Ų1131.1 Ų31.16%0.05815%0.145CC..THydrogen-bonded Turntrans-102.829.7174.3-63.4178.8000112.5I344 I345 H346 N350 E351 M357 L360 F435 I441I344-L348 HydrophobicContact CG2-CD1 3.74Å; I344-L348 HydrophobicContact CG2-CG 4.46Å; I344-L348 WeakPolarHBondContact O-CB 3.4Å; I344-L348 WeakPolarHBondContact O-CG 3.17Å; I344-L348 PolarHBondContact O-N 2.96Å; I345-L348 CarbonylContact O-C 3.47Å; I345-L348 PolarHBondContact O-N 2.71Å; H346-L348 VanDerWaalsContact C-N 3.29Å; H346-L348 PolarHBondContact O-N 2.94Å; L348-N350 PolarHBondContact O-N 3.48Å; L348-E351 HydrophobicContact CB-CB 4.34Å; L348-E351 WeakPolarHBondContact O-CB 3.26Å; L348-E351 WeakPolarHBondContact O-CG 3.31Å; L348-E351 PolarHBondContact O-N 2.8Å; L348-M357 HydrophobicContact CD1-CG 3.86Å; L348-L360 HydrophobicContact CD1-CD1 4.45Å; L348-F435 HydrophobicContact CD2-CB 3.81Å; L348-F435 HydrophobicContact CD2-CD1 3.96Å; L348-F435 HydrophobicContact CD2-CD2 4.44Å; L348-F435 HydrophobicContact CD2-CG 3.82Å; L348-I441 HydrophobicContact CD2-CD1 4.43Å
349N92.7Very high95.1Very high94 Ų9431.9 Ų31.950%0.50315%0.153SC..THydrogen-bonded Turntrans54.547.9175.8-61.3-29000114.2I345 H346 E351I345-N349 PolarHBondContact O-N 3.3Å; H346-N349 PolarHBondContact O-N 3.38Å; N349-E351 VanDerWaalsContact C-N 3.3Å; N349-E351 PolarHBondContact O-N 3.33Å
350N92.5Very high95Very high106 Ų10631.9 Ų31.957%0.56715%0.153SC*.THydrogen-bonded Turntrans68.315.2179.7-59.5-46.1000115.9I345 L348 Q352I345-N350 WeakPolarHBondContact O-CA 3.23Å; I345-N350 PolarHBondContact O-N 3.14Å; L348-N350 PolarHBondContact O-N 3.48Å; N350-Q352 PolarHBondContact O-N 3.45Å
351E94.1Very high95Very high55 Ų5536.4 Ų36.426%0.25718%0.177SC..  trans-73.8120.4171.2-71.8-76.1-167.600111.1L348 N349 K356 M357L348-E351 HydrophobicContact CB-CB 4.34Å; L348-E351 WeakPolarHBondContact O-CB 3.26Å; L348-E351 WeakPolarHBondContact O-CG 3.31Å; L348-E351 PolarHBondContact O-N 2.8Å; N349-E351 VanDerWaalsContact C-N 3.3Å; N349-E351 PolarHBondContact O-N 3.33Å; E351-K356 IonicContact OE1-NZ 3.46Å; E351-K356 PolarHBondContact OE1-NZ 3.5Å; E351-K356 WeakPolarHBondContact OE2-CD 3.5Å; E351-K356 IonicContact OE2-NZ 2.84Å; E351-K356 PolarHBondContact OE2-NZ 3.46Å; E351-M357 WeakPolarHBondContact O-CE 3.27Å
352Q95.4Very high94.7Very high58 Ų5845.8 Ų45.827%0.27122%0.218SC..  trans-104.3-13.8-177.1-56.9-17310.200113.9I296 I345 N350I296-Q352 PolarHBondContact N-O 3.33Å; I345-Q352 HydrophobicContact CD1-CG 4.03Å; I345-Q352 HydrophobicContact CG1-CG 4.09Å; I345-Q352 HydrophobicContact CG2-CG 4.07Å; N350-Q352 PolarHBondContact O-N 3.45Å
353D96.7Very high94.5Very high19 Ų1948.6 Ų48.610%0.10224%0.235CC..BIsolated β-bridgetrans-80.9120.2-174.4-172.9-17.4000111.1N294 R355 K356N294-D353 WeakPolarHBondContact CB-OD1 3.34Å; D353-R355 PolarHBondContact O-N 3.39Å; D353-R355 VanDerWaalsContact O-N 3.1Å; D353-R355 VanDerWaalsContact OD1-CB 3.29Å; D353-R355 WeakPolarHBondContact OD1-CB 3.43Å; D353-R355 VanDerWaalsContact OD1-CG 3.3Å; D353-R355 WeakPolarHBondContact OD1-CG 3.36Å; D353-R355 PolarHBondContact OD1-N 2.98Å; D353-R355 IonicContact OD1-NE 3.27Å; D353-R355 PolarHBondContact OD1-NE 3.08Å; D353-R355 VanDerWaalsContact OD1-NE 3.1Å; D353-R355 IonicContact OD2-CZ 2.72Å; D353-R355 IonicContact OD2-NE 2.56Å; D353-R355 PolarHBondContact OD2-NE 3.05Å; D353-R355 IonicContact OD2-NH2 3.88Å; D353-R355 PolarHBondContact OD2-NH2 3.3Å; D353-K356 PolarHBondContact O-N 2.65Å; D353-K356 VanDerWaalsContact O-N 3.12Å
354I96.4Very high94.4Very high0 Ų048.6 Ų48.60%024%0.235CC..G310 helixtrans-60.1-22.3179.566.8-175.8000113.4N294 I296 I299 K356 M357 L427 T428N294-I354 HydrophobicContact CB-CG1 4.43Å; N294-I354 WeakPolarHBondContact O-CG1 3.3Å; N294-I354 WeakPolarHBondContact O-CG2 3.3Å; N294-I354 PolarHBondContact O-N 2.94Å; I296-I354 HydrophobicContact CB-CG2 3.97Å; I296-I354 HydrophobicContact CG1-CG2 4.32Å; I299-I354 HydrophobicContact CD1-CD1 3.83Å; I299-I354 HydrophobicContact CD1-CG2 4.31Å; I354-K356 VanDerWaalsContact C-N 3.27Å; I354-K356 PolarHBondContact O-N 3.46Å; I354-M357 HydrophobicContact CG2-SD 4.42Å; I354-M357 PolarHBondContact O-N 3.04Å; I354-L427 HydrophobicContact CB-CB 4.4Å; I354-L427 HydrophobicContact CD1-CB 4.42Å; I354-L427 HydrophobicContact CD1-CD1 3.57Å; I354-L427 HydrophobicContact CG1-CB 4.47Å; I354-L427 HydrophobicContact CG1-CD1 4.11Å; I354-T428 HydrophobicContact CB-CG2 4.04Å; I354-T428 HydrophobicContact CG2-CG2 3.64Å
355R94.8Very high94.3Very high147 Ų14752.1 Ų52.156%0.55526%0.258SS*.G310 helixtrans-67.1-31179-63.2177.4-66.9-179.3-0.2111.9D353 R434D353-R355 PolarHBondContact O-N 3.39Å; D353-R355 VanDerWaalsContact O-N 3.1Å; D353-R355 VanDerWaalsContact OD1-CB 3.29Å; D353-R355 WeakPolarHBondContact OD1-CB 3.43Å; D353-R355 VanDerWaalsContact OD1-CG 3.3Å; D353-R355 WeakPolarHBondContact OD1-CG 3.36Å; D353-R355 PolarHBondContact OD1-N 2.98Å; D353-R355 IonicContact OD1-NE 3.27Å; D353-R355 PolarHBondContact OD1-NE 3.08Å; D353-R355 VanDerWaalsContact OD1-NE 3.1Å; D353-R355 IonicContact OD2-CZ 2.72Å; D353-R355 IonicContact OD2-NE 2.56Å; D353-R355 PolarHBondContact OD2-NE 3.05Å; D353-R355 IonicContact OD2-NH2 3.88Å; D353-R355 PolarHBondContact OD2-NH2 3.3Å; R355-R434 WeakPolarHBondContact O-CD 3.41Å; R355-R434 PolarHBondContact O-NE 3.47Å
356K94.4Very high94.4Very high87 Ų8754 Ų5438%0.37827%0.268SS..G310 helixtrans-92.86.2176.9-61.1179.6-177.3173.30113.2E351 D353 I354 R434 F435E351-K356 IonicContact OE1-NZ 3.46Å; E351-K356 PolarHBondContact OE1-NZ 3.5Å; E351-K356 WeakPolarHBondContact OE2-CD 3.5Å; E351-K356 IonicContact OE2-NZ 2.84Å; E351-K356 PolarHBondContact OE2-NZ 3.46Å; D353-K356 PolarHBondContact O-N 2.65Å; D353-K356 VanDerWaalsContact O-N 3.12Å; I354-K356 VanDerWaalsContact C-N 3.27Å; I354-K356 PolarHBondContact O-N 3.46Å; K356-R434 CarbonylContact O-C 3.58Å; K356-R434 VanDerWaalsContact O-C 3.28Å; K356-F435 WeakPolarHBondContact O-CA 3.41Å; K356-F435 VanDerWaalsContact O-CB 3.29Å; K356-F435 WeakPolarHBondContact O-CB 3.36Å; K356-F435 PolarHBondContact O-N 2.97Å
357M95Very high94.4Very high1 Ų150.9 Ų50.91%0.00525%0.254CS..  trans-95.4-175.3172.7-60-179.3-175.700110.3I296 I344 L348 E351 I354 L360 T428 R434I296-M357 HydrophobicContact CD1-SD 4.41Å; I296-M357 HydrophobicContact CG2-CE 4.31Å; I344-M357 HydrophobicContact CG2-CE 3.89Å; I344-M357 HydrophobicContact CG2-SD 3.72Å; L348-M357 HydrophobicContact CD1-CG 3.86Å; E351-M357 WeakPolarHBondContact O-CE 3.27Å; I354-M357 HydrophobicContact CG2-SD 4.42Å; I354-M357 PolarHBondContact O-N 3.04Å; M357-L360 HydrophobicContact CB-CD1 4.46Å; M357-T428 HydrophobicContact CB-CG2 4.48Å; M357-T428 HydrophobicContact SD-CG2 3.71Å; M357-R434 WeakPolarHBondContact O-CB 3.44Å; M357-R434 PolarHBondContact O-NE 3.1Å; M357-R434 VanDerWaalsContact O-NE 3.12Å; M357-R434 PolarHBondContact O-NH2 3.37Å
358G94.4Very high94.5Very high0 Ų050.6 Ų50.60%025%0.252CS..  trans139.3151.2173.500000112.5L360 T428 P433 F435G358-L360 PolarHBondContact O-N 3.43Å; G358-L360 VanDerWaalsContact O-N 3.17Å; G358-T428 VanDerWaalsContact CA-O 3.32Å; G358-T428 WeakPolarHBondContact CA-O 3.44Å; G358-T428 PolarHBondContact N-O 3.08Å; G358-P433 WeakPolarHBondContact O-CA 3.44Å; G358-F435 WeakPolarHBondContact O-CE1 3.5Å
359G93.4Very high94.6Very high17 Ų1753.1 Ų53.118%0.17527%0.268CS..  trans65.414.4176.900000115.5L361 L429 T430 G431G359-L361 PolarHBondContact O-N 3.29Å; G359-L429 CarbonylContact C-O 3.43Å; G359-L429 WeakPolarHBondContact CA-O 3.26Å; G359-L429 PolarHBondContact N-O 2.91Å; G359-T430 PolarHBondContact N-O 3.33Å; G359-G431 WeakPolarHBondContact CA-O 3.36Å; G359-G431 PolarHBondContact N-O 2.86Å
360L95.1Very high94.8Very high0 Ų048.7 Ų48.70%024%0.244CC..Hα-helixtrans-69.9-15.5-175-65.5174.3000114I344 L348 M357 G358 K362 T363 M364 T428 L429 F435I344-L360 HydrophobicContact CB-CD1 4.5Å; I344-L360 HydrophobicContact CD1-CD1 4.16Å; I344-L360 HydrophobicContact CG1-CD1 4.09Å; I344-L360 HydrophobicContact CG2-CD1 3.61Å; L348-L360 HydrophobicContact CD1-CD1 4.45Å; M357-L360 HydrophobicContact CB-CD1 4.46Å; G358-L360 PolarHBondContact O-N 3.43Å; G358-L360 VanDerWaalsContact O-N 3.17Å; L360-K362 PolarHBondContact O-N 3.01Å; L360-T363 WeakPolarHBondContact CA-OG1 3.33Å; L360-T363 PolarHBondContact O-N 3.39Å; L360-T363 PolarHBondContact O-OG1 2.71Å; L360-M364 PolarHBondContact O-N 3.39Å; L360-T428 WeakPolarHBondContact CD1-O 3.38Å; L360-T428 WeakPolarHBondContact CG-O 3.42Å; L360-L429 HydrophobicContact CB-CD2 3.99Å; L360-L429 PolarHBondContact N-O 3.39Å; L360-F435 HydrophobicContact CD2-CE1 4.24Å
361L95.1Very high95Very high95 Ų9543.7 Ų43.750%0.49722%0.218SC..Hα-helixtrans-56.2-36.4177.6-172.272.7000112.6G359 L429G359-L361 PolarHBondContact O-N 3.29Å; L361-L429 PolarHBondContact N-O 2.77Å
362K90.3Very high95.2Very high196 Ų19643 Ų4385%0.85222%0.217SC*.Hα-helixtrans-87.2-32.3-179.7-66.6-175.7-179.5-178.90112.9L360L360-K362 PolarHBondContact O-N 3.01Å
363T91.9Very high95.3Very high60 Ų6042.2 Ų42.237%0.36822%0.215SC..Hα-helixtrans-86.7-32.8-174.158.80000113L360 I441L360-T363 WeakPolarHBondContact CA-OG1 3.33Å; L360-T363 PolarHBondContact O-N 3.39Å; L360-T363 PolarHBondContact O-OG1 2.71Å; T363-I441 HydrophobicContact CG2-CD1 4.42Å
364M94.8Very high95.2Very high0 Ų041.3 Ų41.30%021%0.21CC..  trans-130.874178.9-58.6-18056.700111.1N347 L360 L366 T367 S368 I441 E443N347-M364 HydrophobicContact CB-CE 4.38Å; N347-M364 HydrophobicContact CB-SD 4.01Å; N347-M364 WeakPolarHBondContact ND2-CE 3.35Å; N347-M364 PolarHBondContact ND2-SD 3.27Å; L360-M364 PolarHBondContact O-N 3.39Å; M364-L366 PolarHBondContact O-N 3.45Å; M364-T367 WeakPolarHBondContact CB-OG1 3.09Å; M364-T367 HydrophobicContact CE-CG2 3.75Å; M364-T367 WeakPolarHBondContact CE-OG1 3.32Å; M364-T367 PolarHBondContact O-OG1 3.25Å; M364-T367 VanDerWaalsContact O-OG1 3.12Å; M364-S368 WeakPolarHBondContact O-CB 3.39Å; M364-S368 PolarHBondContact O-N 2.81Å; M364-S368 PolarHBondContact O-OG 3.18Å; M364-I441 HydrophobicContact CG-CG2 3.39Å; M364-I441 HydrophobicContact SD-CG2 3.72Å; M364-E443 WeakPolarHBondContact CA-OE2 3.43Å; M364-E443 HydrophobicContact CE-CG 4.41Å
365P95.1Very high95.2Very high74 Ų7441.4 Ų41.448%0.48121%0.21SC..Hα-helixtrans-65.2-35-170.825.6-35.3000114.1S368 T369 E443P365-S368 VanDerWaalsContact CA-OG 3.3Å; P365-S368 WeakPolarHBondContact CA-OG 3.37Å; P365-S368 PolarHBondContact O-OG 3.05Å; P365-T369 WeakPolarHBondContact O-CB 3.25Å; P365-T369 VanDerWaalsContact O-CG2 3.26Å; P365-T369 WeakPolarHBondContact O-CG2 3.38Å; P365-T369 PolarHBondContact O-N 3.46Å; P365-T369 VanDerWaalsContact O-N 3.07Å; P365-T369 PolarHBondContact O-OG1 3.44Å; P365-E443 VanDerWaalsContact CD-OE2 3.31Å; P365-E443 WeakPolarHBondContact CD-OE2 3.43Å
366L96.1Very high95.3Very high40 Ų4037.7 Ų37.721%0.20920%0.201CC..Hα-helixtrans-72.8-46.1-179.5179.877.4000110.6M364 S368 T369 S370 E443 L449 I452 K453M364-L366 PolarHBondContact O-N 3.45Å; L366-S368 VanDerWaalsContact C-N 3.29Å; L366-S368 PolarHBondContact O-N 2.94Å; L366-T369 WeakPolarHBondContact CA-OG1 3.44Å; L366-T369 PolarHBondContact O-N 2.59Å; L366-T369 PolarHBondContact O-OG1 3.44Å; L366-S370 PolarHBondContact O-N 2.87Å; L366-S370 PolarHBondContact O-OG 3.45Å; L366-E443 WeakPolarHBondContact CA-OE1 3.18Å; L366-E443 VanDerWaalsContact CB-OE1 3.24Å; L366-E443 WeakPolarHBondContact CB-OE1 3.35Å; L366-E443 PolarHBondContact N-OE1 3.01Å; L366-L449 HydrophobicContact CB-CD2 4.31Å; L366-L449 HydrophobicContact CD2-CB 4.11Å; L366-L449 HydrophobicContact CD2-CD2 3.31Å; L366-L449 HydrophobicContact CD2-CG 4.3Å; L366-L449 HydrophobicContact CG-CD2 4.41Å; L366-I452 HydrophobicContact CD2-CG2 4.37Å; L366-I452 HydrophobicContact CG-CG2 4.44Å; L366-K453 HydrophobicContact CD1-CG 4.28Å; L366-K453 HydrophobicContact CD2-CG 4.06Å
367T96.6Very high95.4Very high1 Ų133.5 Ų33.51%0.00618%0.183CC..Hα-helixtrans-66.1-33.9-179.460.20000112S343 M364 S370 L371 E443 I452S343-T367 VanDerWaalsContact OG-CG2 3.25Å; S343-T367 WeakPolarHBondContact OG-CG2 3.42Å; M364-T367 WeakPolarHBondContact CB-OG1 3.09Å; M364-T367 HydrophobicContact CE-CG2 3.75Å; M364-T367 WeakPolarHBondContact CE-OG1 3.32Å; M364-T367 PolarHBondContact O-OG1 3.25Å; M364-T367 VanDerWaalsContact O-OG1 3.12Å; T367-S370 VanDerWaalsContact CA-OG 3.29Å; T367-S370 WeakPolarHBondContact CA-OG 3.39Å; T367-S370 PolarHBondContact O-OG 3.2Å; T367-L371 WeakPolarHBondContact O-CB 3.39Å; T367-L371 PolarHBondContact O-N 3.11Å; T367-E443 WeakPolarHBondContact CB-OE1 3.22Å; T367-E443 HydrophobicContact CG2-CG 4.16Å; T367-E443 WeakPolarHBondContact CG2-OE1 3.29Å; T367-E443 PolarHBondContact N-OE1 2.77Å; T367-E443 PolarHBondContact OG1-OE1 3.17Å; T367-I452 HydrophobicContact CG2-CD1 3.88Å
368S96.3Very high95.4Very high1 Ų133.6 Ų33.61%0.00718%0.183CC..Hα-helixtrans-70.3-41.617558.90000112.2M364 P365 L366 L371 T372M364-S368 WeakPolarHBondContact O-CB 3.39Å; M364-S368 PolarHBondContact O-N 2.81Å; M364-S368 PolarHBondContact O-OG 3.18Å; P365-S368 VanDerWaalsContact CA-OG 3.3Å; P365-S368 WeakPolarHBondContact CA-OG 3.37Å; P365-S368 PolarHBondContact O-OG 3.05Å; L366-S368 VanDerWaalsContact C-N 3.29Å; L366-S368 PolarHBondContact O-N 2.94Å; S368-L371 PolarHBondContact O-N 3.39Å; S368-T372 WeakPolarHBondContact O-CG2 3.3Å; S368-T372 PolarHBondContact O-N 3.32Å; S368-T372 PolarHBondContact O-OG1 3.11Å
369T96.4Very high95.4Very high65 Ų6534.2 Ų34.240%0.39919%0.188SC..Hα-helixtrans-65.4-40.7173.552.10000112P365 L366 T372 I373P365-T369 WeakPolarHBondContact O-CB 3.25Å; P365-T369 VanDerWaalsContact O-CG2 3.26Å; P365-T369 WeakPolarHBondContact O-CG2 3.38Å; P365-T369 PolarHBondContact O-N 3.46Å; P365-T369 VanDerWaalsContact O-N 3.07Å; P365-T369 PolarHBondContact O-OG1 3.44Å; L366-T369 WeakPolarHBondContact CA-OG1 3.44Å; L366-T369 PolarHBondContact O-N 2.59Å; L366-T369 PolarHBondContact O-OG1 3.44Å; T369-T372 WeakPolarHBondContact CA-OG1 3.4Å; T369-T372 PolarHBondContact O-N 3.24Å; T369-T372 PolarHBondContact O-OG1 3.3Å; T369-I373 WeakPolarHBondContact O-CD1 3.23Å; T369-I373 VanDerWaalsContact O-CG1 3.24Å; T369-I373 WeakPolarHBondContact O-CG1 3.41Å; T369-I373 PolarHBondContact O-N 3.05Å
370S96.7Very high95.4Very high0 Ų034 Ų340%019%0.187CC..Hα-helixtrans-69.8-37.9176.157.80000113.2M336 C340 L366 T367 T372 I373 G374 I452M336-S370 VanDerWaalsContact CE-O 3.27Å; M336-S370 WeakPolarHBondContact CE-O 3.31Å; C340-S370 PolarHBondContact SG-OG 3.28Å; L366-S370 PolarHBondContact O-N 2.87Å; L366-S370 PolarHBondContact O-OG 3.45Å; T367-S370 VanDerWaalsContact CA-OG 3.29Å; T367-S370 WeakPolarHBondContact CA-OG 3.39Å; T367-S370 PolarHBondContact O-OG 3.2Å; S370-T372 VanDerWaalsContact C-N 3.34Å; S370-I373 PolarHBondContact O-N 3.46Å; S370-G374 PolarHBondContact O-N 3.25Å; S370-I452 VanDerWaalsContact CB-CG2 3.47Å; S370-I452 VanDerWaalsContact OG-CG2 3.31Å; S370-I452 WeakPolarHBondContact OG-CG2 3.29Å
371L97.1Very high95.3Very high1 Ų138.6 Ų38.61%0.00521%0.209CC..Hα-helixtrans-63.5-40.7175-169.9102.1000111.3L337 C340 T367 S368 G374 S375 M424 L429L337-L371 HydrophobicContact CD2-CD1 4.16Å; L337-L371 HydrophobicContact CD2-CG 4.31Å; C340-L371 HydrophobicContact CB-CB 4.24Å; C340-L371 HydrophobicContact CB-CD1 3.75Å; T367-L371 WeakPolarHBondContact O-CB 3.39Å; T367-L371 PolarHBondContact O-N 3.11Å; S368-L371 PolarHBondContact O-N 3.39Å; L371-G374 PolarHBondContact O-N 2.96Å; L371-S375 WeakPolarHBondContact O-CB 3.44Å; L371-S375 PolarHBondContact O-N 3.41Å; L371-S375 PolarHBondContact O-OG 3.47Å; L371-M424 HydrophobicContact CD1-SD 4Å; L371-M424 HydrophobicContact CD2-SD 3.97Å; L371-M424 HydrophobicContact CG-SD 4.16Å; L371-L429 HydrophobicContact CB-CD1 4.45Å; L371-L429 HydrophobicContact CD2-CD1 3.65Å; L371-L429 HydrophobicContact CD2-CD2 4.07Å; L371-L429 HydrophobicContact CD2-CG 3.82Å
372T96.9Very high95.3Very high40 Ų4035.8 Ų35.825%0.24520%0.197CC..Hα-helixtrans-67.6-43.5176.248.60000112.2S368 T369 S370 G374 S375 L376 I425 L429S368-T372 WeakPolarHBondContact O-CG2 3.3Å; S368-T372 PolarHBondContact O-N 3.32Å; S368-T372 PolarHBondContact O-OG1 3.11Å; T369-T372 WeakPolarHBondContact CA-OG1 3.4Å; T369-T372 PolarHBondContact O-N 3.24Å; T369-T372 PolarHBondContact O-OG1 3.3Å; S370-T372 VanDerWaalsContact C-N 3.34Å; T372-G374 VanDerWaalsContact C-N 3.32Å; T372-G374 PolarHBondContact O-N 3.21Å; T372-S375 VanDerWaalsContact CA-OG 3.31Å; T372-S375 WeakPolarHBondContact CA-OG 3.32Å; T372-S375 PolarHBondContact O-N 3.1Å; T372-S375 PolarHBondContact O-OG 3.28Å; T372-L376 WeakPolarHBondContact O-CB 3.42Å; T372-L376 VanDerWaalsContact O-CG 3.32Å; T372-L376 WeakPolarHBondContact O-CG 3.31Å; T372-L376 PolarHBondContact O-N 2.92Å; T372-I425 HydrophobicContact CG2-CG2 4.16Å; T372-L429 HydrophobicContact CG2-CD1 3.62Å
373I97.3Very high95.4Very high43 Ų4334.1 Ų34.122%0.22119%0.189CC..Hα-helixtrans-59.8-43.9173.7-66.8164.1000110.7M336 T369 S370 L376 A377 L460M336-I373 HydrophobicContact CE-CG2 4.36Å; T369-I373 WeakPolarHBondContact O-CD1 3.23Å; T369-I373 VanDerWaalsContact O-CG1 3.24Å; T369-I373 WeakPolarHBondContact O-CG1 3.41Å; T369-I373 PolarHBondContact O-N 3.05Å; S370-I373 PolarHBondContact O-N 3.46Å; I373-L376 PolarHBondContact O-N 3.35Å; I373-A377 WeakPolarHBondContact O-CB 3.18Å; I373-A377 PolarHBondContact O-N 2.71Å; I373-L460 HydrophobicContact CG2-CD2 4.04Å; I373-L460 HydrophobicContact CG2-CG 4.4Å
374G96.1Very high95.6Very high0 Ų032.3 Ų32.30%018%0.177CC..Hα-helixtrans-67-38.4-179.300000114.2S370 L371 T372 A377 L378S370-G374 PolarHBondContact O-N 3.25Å; L371-G374 PolarHBondContact O-N 2.96Å; T372-G374 VanDerWaalsContact C-N 3.32Å; T372-G374 PolarHBondContact O-N 3.21Å; G374-A377 PolarHBondContact O-N 3.12Å; G374-L378 WeakPolarHBondContact O-CB 3.06Å; G374-L378 PolarHBondContact O-N 3.38Å
375S96.2Very high95.5Very high1 Ų132.3 Ų32.31%0.00718%0.177CC..Hα-helixtrans-71.1-38.4176.646.50000112L371 T372 L378 A379 I425L371-S375 WeakPolarHBondContact O-CB 3.44Å; L371-S375 PolarHBondContact O-N 3.41Å; L371-S375 PolarHBondContact O-OG 3.47Å; T372-S375 VanDerWaalsContact CA-OG 3.31Å; T372-S375 WeakPolarHBondContact CA-OG 3.32Å; T372-S375 PolarHBondContact O-N 3.1Å; T372-S375 PolarHBondContact O-OG 3.28Å; S375-L378 PolarHBondContact O-N 2.95Å; S375-A379 WeakPolarHBondContact O-CB 3.49Å; S375-A379 PolarHBondContact O-N 3.48Å; S375-I425 WeakPolarHBondContact OG-CD1 3.36Å
376L96Very high95.4Very high69 Ų6928.8 Ų28.836%0.36116%0.155SC..Hα-helixtrans-65.3-40.1171.6-71.4172000112.2T372 I373 A379 G380 M381 L384T372-L376 WeakPolarHBondContact O-CB 3.42Å; T372-L376 VanDerWaalsContact O-CG 3.32Å; T372-L376 WeakPolarHBondContact O-CG 3.31Å; T372-L376 PolarHBondContact O-N 2.92Å; I373-L376 PolarHBondContact O-N 3.35Å; L376-A379 PolarHBondContact O-N 2.92Å; L376-G380 PolarHBondContact O-N 3Å; L376-M381 HydrophobicContact CB-CB 4.16Å; L376-M381 PolarHBondContact O-N 3.38Å; L376-M381 VanDerWaalsContact O-N 3.07Å; L376-L384 HydrophobicContact CB-CD1 3.65Å
377A96.2Very high95.3Very high0 Ų029.1 Ų29.10%016%0.155CC..Hα-helixtrans-62.9-41.9174.600000111.4F333 I373 G374 G380 L384 G386F333-A377 HydrophobicContact CB-CB 4.05Å; F333-A377 HydrophobicContact CD1-CB 4.35Å; F333-A377 HydrophobicContact CG-CB 4.37Å; I373-A377 WeakPolarHBondContact O-CB 3.18Å; I373-A377 PolarHBondContact O-N 2.71Å; G374-A377 PolarHBondContact O-N 3.12Å; A377-G380 PolarHBondContact O-N 2.98Å; A377-L384 HydrophobicContact CB-CB 4.19Å; A377-L384 HydrophobicContact CB-CD1 4.11Å; A377-G386 WeakPolarHBondContact O-CA 3.38Å
378L95.6Very high95.2Very high3 Ų330.6 Ų30.62%0.01616%0.16CC..Hα-helixtrans-64-40.5174.5-176.2165.1000112.1F333 K334 L337 G374 S375 G380 K390 Y420F333-L378 HydrophobicContact CD2-CB 4.14Å; F333-L378 HydrophobicContact CE2-CB 4.16Å; F333-L378 HydrophobicContact CE2-CG 4.31Å; K334-L378 HydrophobicContact CD-CD1 4.39Å; L337-L378 HydrophobicContact CD1-CD1 3.66Å; G374-L378 WeakPolarHBondContact O-CB 3.06Å; G374-L378 PolarHBondContact O-N 3.38Å; S375-L378 PolarHBondContact O-N 2.95Å; L378-G380 VanDerWaalsContact C-N 3.26Å; L378-G380 PolarHBondContact O-N 2.97Å; L378-K390 PolarHBondContact O-NZ 3.15Å; L378-Y420 HydrophobicContact CD2-CE2 4.09Å
379A94.3Very high95.1Very high12 Ų1230.6 Ų30.610%0.09916%0.16CC..Hα-helixtrans-62.8-35176.200000111.5S375 L376 K390 T492S375-A379 WeakPolarHBondContact O-CB 3.49Å; S375-A379 PolarHBondContact O-N 3.48Å; L376-A379 PolarHBondContact O-N 2.92Å; A379-K390 PolarHBondContact O-NZ 3.15Å; A379-T492 WeakPolarHBondContact O-CG2 3.23Å
380G93Very high95Very high14 Ų1427.7 Ų27.714%0.14414%0.142CC..THydrogen-bonded Turntrans10332.7-179.400000113.1L376 A377 L378L376-G380 PolarHBondContact O-N 3Å; A377-G380 PolarHBondContact O-N 2.98Å; L378-G380 VanDerWaalsContact C-N 3.26Å; L378-G380 PolarHBondContact O-N 2.97Å
381M94.1Very high94.9Very high96 Ų9628.3 Ų28.347%0.47315%0.145SC..  trans-57135.9175.8-175.172.8-167.700110.6L376 L384 F387L376-M381 HydrophobicContact CB-CB 4.16Å; L376-M381 PolarHBondContact O-N 3.38Å; L376-M381 VanDerWaalsContact O-N 3.07Å; M381-L384 HydrophobicContact CB-CD1 3.9Å; M381-L384 HydrophobicContact CB-CG 4.32Å; M381-L384 HydrophobicContact CG-CD1 4.38Å; M381-L384 WeakPolarHBondContact O-CB 3.31Å; M381-L384 PolarHBondContact O-N 2.94Å; M381-F387 WeakPolarHBondContact O-CB 3.48Å
382P94.1Very high94.7Very high36 Ų3631 Ų3123%0.23416%0.158CC..THydrogen-bonded Turntrans-53145.3-179.820.9-34.9000112.6L384 F387 L489P382-L384 PolarHBondContact O-N 3.43Å; P382-L384 VanDerWaalsContact O-N 3.1Å; P382-F387 HydrophobicContact CB-CD2 4.31Å; P382-F387 HydrophobicContact CB-CE2 4.44Å; P382-L489 HydrophobicContact CG-CD1 4.23Å
383F92.9Very high94.6Very high160 Ų16029.3 Ų29.370%0.70215%0.147SC*.THydrogen-bonded Turntrans68-14.5-177.1-50.4-70.9000116.9
384L95.6Very high94.5Very high22 Ų2227.7 Ų27.712%0.11514%0.139CC..SBendtrans-75.4162.1168.4-63.5-174.3000111L376 A377 M381 P382 G386 F387 Y388 L460L376-L384 HydrophobicContact CB-CD1 3.65Å; A377-L384 HydrophobicContact CB-CB 4.19Å; A377-L384 HydrophobicContact CB-CD1 4.11Å; M381-L384 HydrophobicContact CB-CD1 3.9Å; M381-L384 HydrophobicContact CB-CG 4.32Å; M381-L384 HydrophobicContact CG-CD1 4.38Å; M381-L384 WeakPolarHBondContact O-CB 3.31Å; M381-L384 PolarHBondContact O-N 2.94Å; P382-L384 PolarHBondContact O-N 3.43Å; P382-L384 VanDerWaalsContact O-N 3.1Å; L384-G386 PolarHBondContact O-N 3.07Å; L384-G386 VanDerWaalsContact O-N 3.1Å; L384-F387 WeakPolarHBondContact O-CB 3.43Å; L384-F387 PolarHBondContact O-N 2.87Å; L384-Y388 WeakPolarHBondContact O-CD2 3.36Å; L384-L460 HydrophobicContact CD2-CD2 3.43Å; L384-L460 VanDerWaalsContact CD2-CD2 3.43Å
385T93.4Very high94.4Very high0 Ų028.7 Ų28.70%014%0.144CC..THydrogen-bonded Turntrans-61-28.7-172.957.60000114.7T329 F387 G458 S459T329-T385 WeakPolarHBondContact CG2-O 3.49Å; T385-F387 VanDerWaalsContact C-N 3.32Å; T385-F387 PolarHBondContact O-N 3.19Å; T385-G458 WeakPolarHBondContact CG2-O 3.29Å; T385-S459 VanDerWaalsContact CG2-C 3.42Å; T385-S459 VanDerWaalsContact CG2-O 3.24Å; T385-S459 WeakPolarHBondContact CG2-O 3.08Å; T385-S459 PolarHBondContact N-O 3.07Å; T385-S459 PolarHBondContact OG1-O 2.8Å
386G92.3Very high94.2Very high1 Ų130 Ų301%0.0115%0.152CC..THydrogen-bonded Turntrans-69.2-27.6177.400000113.7A377 L384 S389 K390A377-G386 WeakPolarHBondContact O-CA 3.38Å; L384-G386 PolarHBondContact O-N 3.07Å; L384-G386 VanDerWaalsContact O-N 3.1Å; G386-S389 PolarHBondContact O-N 3.19Å; G386-S389 PolarHBondContact O-OG 3.49Å; G386-K390 WeakPolarHBondContact O-CB 3.19Å; G386-K390 PolarHBondContact O-N 3.44Å
387F94.9Very high94Very high46 Ų4627.1 Ų27.120%0.20214%0.137CC..Hα-helixtrans-61.8-48.5179173-102.1000111.4M381 P382 L384 T385 S389 K390 D391M381-F387 WeakPolarHBondContact O-CB 3.48Å; P382-F387 HydrophobicContact CB-CD2 4.31Å; P382-F387 HydrophobicContact CB-CE2 4.44Å; L384-F387 WeakPolarHBondContact O-CB 3.43Å; L384-F387 PolarHBondContact O-N 2.87Å; T385-F387 VanDerWaalsContact C-N 3.32Å; T385-F387 PolarHBondContact O-N 3.19Å; F387-S389 PolarHBondContact O-N 3.1Å; F387-K390 PolarHBondContact O-N 2.95Å; F387-D391 HydrophobicContact CD2-CB 3.82Å; F387-D391 HydrophobicContact CE2-CB 3.72Å; F387-D391 VanDerWaalsContact CE2-CG 3.46Å; F387-D391 VanDerWaalsContact CE2-OD2 3.24Å; F387-D391 WeakPolarHBondContact CE2-OD2 3.22Å; F387-D391 HydrophobicContact CG-CB 4.45Å; F387-D391 HydrophobicContact CZ-CB 4.28Å; F387-D391 WeakPolarHBondContact CZ-OD2 3.46Å; F387-D391 WeakPolarHBondContact O-CB 3.32Å; F387-D391 PolarHBondContact O-N 3.47Å
388Y93.9Very high93.9Very high33 Ų3328.4 Ų28.413%0.12914%0.144CC..Hα-helixtrans-62.8-16.7-176.3-61.4-81.1000115.2L384 H392 F464 T467L384-Y388 WeakPolarHBondContact O-CD2 3.36Å; Y388-H392 PolarHBondContact O-CD2 3.31Å; Y388-H392 VanDerWaalsContact O-CD2 3.23Å; Y388-F464 HydrophobicContact CE1-CB 4.42Å; Y388-F464 HydrophobicContact CE1-CD2 4.03Å; Y388-F464 HydrophobicContact CE2-CB 3.77Å; Y388-F464 AromaticContact CZ-CD2 3.74Å; Y388-F464 WeakPolarHBondContact OH-CD2 3.43Å; Y388-T467 VanDerWaalsContact CB-CG2 3.47Å; Y388-T467 HydrophobicContact CD1-CG2 4.08Å; Y388-T467 HydrophobicContact CG-CG2 3.95Å
389S93.9Very high93.7Very high0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-102.9-57.4170.9460000111H326 T329 G386 F387 D391 H392 I393H326-S389 WeakPolarHBondContact ND1-CB 3.21Å; H326-S389 PolarHBondContact ND1-OG 2.97Å; T329-S389 PolarHBondContact OG1-OG 2.86Å; G386-S389 PolarHBondContact O-N 3.19Å; G386-S389 PolarHBondContact O-OG 3.49Å; F387-S389 PolarHBondContact O-N 3.1Å; S389-D391 PolarHBondContact O-N 2.73Å; S389-H392 PolarHBondContact O-N 3.1Å; S389-I393 WeakPolarHBondContact O-CB 3.31Å; S389-I393 WeakPolarHBondContact O-CD1 3.42Å; S389-I393 WeakPolarHBondContact O-CG1 2.91Å; S389-I393 PolarHBondContact O-N 2.87Å
390K94.8Very high93.4Very high5 Ų532.7 Ų32.72%0.02217%0.168CC..Hα-helixtrans-66.4-35.7-167.2-165-178.6-179.7-171.90112.9L310 L378 A379 G386 F387 I393 I394 T417L310-K390 HydrophobicContact CD1-CG 4.43Å; L378-K390 PolarHBondContact O-NZ 3.15Å; A379-K390 PolarHBondContact O-NZ 3.15Å; G386-K390 WeakPolarHBondContact O-CB 3.19Å; G386-K390 PolarHBondContact O-N 3.44Å; F387-K390 PolarHBondContact O-N 2.95Å; K390-I393 PolarHBondContact O-N 3.45Å; K390-I394 HydrophobicContact CG-CD1 4.24Å; K390-I394 WeakPolarHBondContact O-CG1 3.47Å; K390-I394 PolarHBondContact O-N 3.49Å; K390-I394 VanDerWaalsContact O-N 3.13Å; K390-T417 PolarHBondContact NZ-OG1 3.3Å
391D94.3Very high93.3Very high12 Ų1243.8 Ų43.86%0.06421%0.207CC..Hα-helixtrans-63.9-52.9176.5-161.550.1000109.9F387 S389 I393 I394 E395 K485 A488F387-D391 HydrophobicContact CD2-CB 3.82Å; F387-D391 HydrophobicContact CE2-CB 3.72Å; F387-D391 VanDerWaalsContact CE2-CG 3.46Å; F387-D391 VanDerWaalsContact CE2-OD2 3.24Å; F387-D391 WeakPolarHBondContact CE2-OD2 3.22Å; F387-D391 HydrophobicContact CG-CB 4.45Å; F387-D391 HydrophobicContact CZ-CB 4.28Å; F387-D391 WeakPolarHBondContact CZ-OD2 3.46Å; F387-D391 WeakPolarHBondContact O-CB 3.32Å; F387-D391 PolarHBondContact O-N 3.47Å; S389-D391 PolarHBondContact O-N 2.73Å; D391-I393 VanDerWaalsContact C-N 3.28Å; D391-I393 PolarHBondContact O-N 3.29Å; D391-I394 PolarHBondContact O-N 3.37Å; D391-E395 VanDerWaalsContact C-OE1 3.24Å; D391-E395 VanDerWaalsContact CG-OE1 3.23Å; D391-E395 WeakPolarHBondContact O-CG 3.4Å; D391-E395 PolarHBondContact O-N 3.4Å; D391-K485 IonicContact OD2-NZ 3.12Å; D391-K485 PolarHBondContact OD2-NZ 2.9Å; D391-A488 WeakPolarHBondContact OD1-CB 3.36Å
392H92.5Very high93.1Very high59 Ų5940.9 Ų40.927%0.27320%0.195SC..Hα-helixtrans-60.6-34.7177.3-71-40.5000113.6L322 Y388 S389 E395 T396L322-H392 HydrophobicContact CD1-CB 4.47Å; L322-H392 HydrophobicContact CD2-CB 4.09Å; Y388-H392 PolarHBondContact O-CD2 3.31Å; Y388-H392 VanDerWaalsContact O-CD2 3.23Å; S389-H392 PolarHBondContact O-N 3.1Å; H392-E395 PolarHBondContact N-OE1 3.46Å; H392-E395 IonicContact ND1-OE1 2.92Å; H392-E395 PolarHBondContact ND1-OE1 2.59Å; H392-E395 IonicContact ND1-OE2 2.9Å; H392-T396 WeakPolarHBondContact O-CB 3.26Å; H392-T396 VanDerWaalsContact O-CG2 3.32Å; H392-T396 WeakPolarHBondContact O-CG2 3.21Å; H392-T396 PolarHBondContact O-N 3.47Å; H392-T396 PolarHBondContact O-OG1 2.97Å
393I95.2Very high93.1Very high4 Ų442.8 Ų42.82%0.02120%0.203CC..Hα-helixtrans-62.7-45.5174.2-72.6167.8000111.1L310 T314 L322 H326 S389 K390 D391 T396 A397L310-I393 HydrophobicContact CD2-CB 4.5Å; L310-I393 HydrophobicContact CD2-CD1 3.67Å; L310-I393 HydrophobicContact CD2-CG2 3.85Å; L310-I393 HydrophobicContact CG-CG2 4.09Å; T314-I393 HydrophobicContact CG2-CB 3.83Å; T314-I393 HydrophobicContact CG2-CD1 3.67Å; T314-I393 HydrophobicContact CG2-CG1 3.41Å; T314-I393 VanDerWaalsContact CG2-CG1 3.41Å; T314-I393 HydrophobicContact CG2-CG2 3.19Å; L322-I393 HydrophobicContact CB-CG1 4.26Å; H326-I393 HydrophobicContact CB-CD1 3.8Å; S389-I393 WeakPolarHBondContact O-CB 3.31Å; S389-I393 WeakPolarHBondContact O-CD1 3.42Å; S389-I393 WeakPolarHBondContact O-CG1 2.91Å; S389-I393 PolarHBondContact O-N 2.87Å; K390-I393 PolarHBondContact O-N 3.45Å; D391-I393 VanDerWaalsContact C-N 3.28Å; D391-I393 PolarHBondContact O-N 3.29Å; I393-T396 PolarHBondContact O-OG1 2.9Å; I393-T396 VanDerWaalsContact O-OG1 3.05Å; I393-A397 VanDerWaalsContact O-CB 3.29Å; I393-A397 WeakPolarHBondContact O-CB 3.37Å; I393-A397 PolarHBondContact O-N 3.43Å
394I94.9Very high93.2Very high9 Ų938.7 Ų38.75%0.04620%0.199CC..Hα-helixtrans-70.6-39.7-179.6-67165000110.5K390 D391 A397 N398 L411 T414 A488K390-I394 HydrophobicContact CG-CD1 4.24Å; K390-I394 WeakPolarHBondContact O-CG1 3.47Å; K390-I394 PolarHBondContact O-N 3.49Å; K390-I394 VanDerWaalsContact O-N 3.13Å; D391-I394 PolarHBondContact O-N 3.37Å; I394-A397 PolarHBondContact O-N 2.95Å; I394-N398 WeakPolarHBondContact O-CB 3.32Å; I394-N398 VanDerWaalsContact O-CG 3.23Å; I394-N398 PolarHBondContact O-N 3.42Å; I394-N398 PolarHBondContact O-ND2 3.42Å; I394-L411 HydrophobicContact CG2-CD2 3.8Å; I394-T414 HydrophobicContact CD1-CG2 3.8Å; I394-T414 HydrophobicContact CG1-CG2 4.47Å; I394-A488 HydrophobicContact CB-CB 4.17Å; I394-A488 HydrophobicContact CD1-CB 3.52Å; I394-A488 HydrophobicContact CG1-CB 4.45Å; I394-A488 HydrophobicContact CG2-CB 4.1Å
395E93.8Very high93.3Very high21 Ų2143.5 Ų43.510%0.09822%0.215CC..Hα-helixtrans-59.3-50.2174.4-75.2165-109.400112.1D391 H392 A397 N398 M399 I480 K485D391-E395 VanDerWaalsContact C-OE1 3.24Å; D391-E395 VanDerWaalsContact CG-OE1 3.23Å; D391-E395 WeakPolarHBondContact O-CG 3.4Å; D391-E395 PolarHBondContact O-N 3.4Å; H392-E395 PolarHBondContact N-OE1 3.46Å; H392-E395 IonicContact ND1-OE1 2.92Å; H392-E395 PolarHBondContact ND1-OE1 2.59Å; H392-E395 IonicContact ND1-OE2 2.9Å; E395-A397 VanDerWaalsContact C-N 3.33Å; E395-A397 PolarHBondContact O-N 3.48Å; E395-N398 PolarHBondContact O-N 2.81Å; E395-M399 VanDerWaalsContact O-CG 3.31Å; E395-M399 WeakPolarHBondContact O-CG 3.31Å; E395-M399 PolarHBondContact O-N 3.49Å; E395-M399 VanDerWaalsContact O-N 3.08Å; E395-I480 HydrophobicContact CG-CD1 4.23Å; E395-I480 WeakPolarHBondContact OE2-CD1 3.39Å; E395-K485 HydrophobicContact CG-CD 4.1Å; E395-K485 IonicContact OE1-NZ 2.78Å; E395-K485 PolarHBondContact OE1-NZ 2.83Å; E395-K485 IonicContact OE2-NZ 2.65Å; E395-K485 PolarHBondContact OE2-NZ 3.37Å
396T92.3Very high93.4Very high29 Ų2943.6 Ų43.618%0.17822%0.216CC..Hα-helixtrans-65.4-37.2179.450.50000111.7L322 H392 I393 M399 S400L322-T396 HydrophobicContact CD1-CG2 3.83Å; H392-T396 WeakPolarHBondContact O-CB 3.26Å; H392-T396 VanDerWaalsContact O-CG2 3.32Å; H392-T396 WeakPolarHBondContact O-CG2 3.21Å; H392-T396 PolarHBondContact O-N 3.47Å; H392-T396 PolarHBondContact O-OG1 2.97Å; I393-T396 PolarHBondContact O-OG1 2.9Å; I393-T396 VanDerWaalsContact O-OG1 3.05Å; T396-M399 PolarHBondContact O-N 3.12Å; T396-S400 VanDerWaalsContact O-CB 3.3Å; T396-S400 WeakPolarHBondContact O-CB 3.43Å; T396-S400 PolarHBondContact O-N 3.42Å; T396-S400 PolarHBondContact O-OG 3.4Å
397A92.6Very high93.6Very high7 Ų745.2 Ų45.26%0.05822%0.224CC..Hα-helixtrans-64-42.8174.600000112.4I317 I393 I394 E395 M399 S400 T402 L407I317-A397 HydrophobicContact CD1-CB 4.22Å; I393-A397 VanDerWaalsContact O-CB 3.29Å; I393-A397 WeakPolarHBondContact O-CB 3.37Å; I393-A397 PolarHBondContact O-N 3.43Å; I394-A397 PolarHBondContact O-N 2.95Å; E395-A397 VanDerWaalsContact C-N 3.33Å; E395-A397 PolarHBondContact O-N 3.48Å; A397-M399 VanDerWaalsContact C-N 3.32Å; A397-M399 PolarHBondContact O-N 2.62Å; A397-S400 PolarHBondContact O-OG 2.79Å; A397-T402 PolarHBondContact O-OG1 2.96Å; A397-L407 VanDerWaalsContact C-CD1 3.44Å; A397-L407 HydrophobicContact CB-CD1 4.23Å; A397-L407 WeakPolarHBondContact O-CD1 3.43Å
398N93Very high93.6Very high28 Ų2845.4 Ų45.415%0.1523%0.231CC..Hα-helixtrans-66.3-31.6178.6-75.7-23.3000113.4I394 E395 L407 L484 T487I394-N398 WeakPolarHBondContact O-CB 3.32Å; I394-N398 VanDerWaalsContact O-CG 3.23Å; I394-N398 PolarHBondContact O-N 3.42Å; I394-N398 PolarHBondContact O-ND2 3.42Å; E395-N398 PolarHBondContact O-N 2.81Å; N398-L407 WeakPolarHBondContact OD1-CD1 3.17Å; N398-L484 HydrophobicContact CB-CD2 4.22Å; N398-T487 PolarHBondContact ND2-OG1 3.32Å
399M91.1Very high93.7Very high64 Ų6444.4 Ų44.432%0.31523%0.228SC..Hα-helixtrans-93.5-20.6-175.6-66.8-59.7-63.600114E395 T396 A397 Q477 I480 L484E395-M399 VanDerWaalsContact O-CG 3.31Å; E395-M399 WeakPolarHBondContact O-CG 3.31Å; E395-M399 PolarHBondContact O-N 3.49Å; E395-M399 VanDerWaalsContact O-N 3.08Å; T396-M399 PolarHBondContact O-N 3.12Å; A397-M399 VanDerWaalsContact C-N 3.32Å; A397-M399 PolarHBondContact O-N 2.62Å; M399-Q477 VanDerWaalsContact CB-OE1 3.3Å; M399-I480 HydrophobicContact CE-CG2 4.01Å; M399-I480 HydrophobicContact CG-CG2 3.64Å; M399-I480 HydrophobicContact SD-CB 4.49Å; M399-I480 HydrophobicContact SD-CG2 3.7Å; M399-L484 HydrophobicContact SD-CD1 3.6Å; M399-L484 VanDerWaalsContact SD-CD1 3.6Å
400S89.2Confident93.9Very high41 Ų4145 Ų4529%0.28723%0.232SC..SBendtrans-82157.5179.348.50000112T396 A397 T402T396-S400 VanDerWaalsContact O-CB 3.3Å; T396-S400 WeakPolarHBondContact O-CB 3.43Å; T396-S400 PolarHBondContact O-N 3.42Å; T396-S400 PolarHBondContact O-OG 3.4Å; A397-S400 PolarHBondContact O-OG 2.79Å; S400-T402 PolarHBondContact O-N 3.44Å; S400-T402 WeakPolarHBondContact OG-CG2 3.3Å
401Y90.1Very high94Very high246 Ų24646.4 Ų46.497%0.96524%0.239SC*.SBendtrans-71.880.6173.9-174-101.3000110
402T91.1Very high94.1Very high36 Ų3649.9 Ų49.922%0.22126%0.257CS..  trans-108.8160.2-175.459.60000111.8L276 I317 A397 S400 A404L276-T402 HydrophobicContact CD1-CG2 4.24Å; I317-T402 HydrophobicContact CB-CG2 4.44Å; I317-T402 HydrophobicContact CG2-CG2 3.45Å; I317-T402 VanDerWaalsContact CG2-CG2 3.45Å; A397-T402 PolarHBondContact O-OG1 2.96Å; S400-T402 PolarHBondContact O-N 3.44Å; S400-T402 WeakPolarHBondContact OG-CG2 3.3Å; T402-A404 PolarHBondContact O-N 3.34Å; T402-A404 VanDerWaalsContact O-N 3.14Å
403N94.3Very high94.3Very high76 Ų7647.3 Ų47.341%0.40625%0.246SC..  trans-64.9115.3170.1-175.8-7.2000109.4L276 W405 A406 L407L276-N403 HydrophobicContact CD2-CB 3.9Å; N403-W405 PolarHBondContact O-N 3.05Å; N403-W405 VanDerWaalsContact O-N 3.12Å; N403-W405 PolarHBondContact OD1-N 2.97Å; N403-W405 VanDerWaalsContact OD1-N 3.15Å; N403-A406 HydrophobicContact CB-CB 4.24Å; N403-A406 PolarHBondContact O-N 2.84Å; N403-L407 PolarHBondContact O-N 3.11Å; N403-L407 VanDerWaalsContact O-N 3.07Å
404A94.6Very high94.4Very high74 Ų7447.2 Ų47.261%0.61225%0.245SC*.Hα-helixtrans-54.4-34-178.900000112.9T402 L407 S408T402-A404 PolarHBondContact O-N 3.34Å; T402-A404 VanDerWaalsContact O-N 3.14Å; A404-L407 PolarHBondContact O-N 3.48Å; A404-S408 WeakPolarHBondContact O-CB 3.28Å; A404-S408 PolarHBondContact O-N 3.17Å; A404-S408 PolarHBondContact O-OG 3.03Å
405W96.3Very high94.5Very high123 Ų12348 Ų4847%0.46625%0.252SS..Hα-helixtrans-63.8-49.3176.6177.479.8000111.8I281 N403 L407 S408 I409I281-W405 HydrophobicContact CD1-CH2 3.76Å; I281-W405 HydrophobicContact CD1-CZ3 4.22Å; I281-W405 HydrophobicContact CG1-CH2 3.4Å; I281-W405 VanDerWaalsContact CG1-CH2 3.4Å; I281-W405 HydrophobicContact CG1-CZ2 4.44Å; I281-W405 HydrophobicContact CG1-CZ3 3.92Å; N403-W405 PolarHBondContact O-N 3.05Å; N403-W405 VanDerWaalsContact O-N 3.12Å; N403-W405 PolarHBondContact OD1-N 2.97Å; N403-W405 VanDerWaalsContact OD1-N 3.15Å; W405-L407 VanDerWaalsContact C-N 3.31Å; W405-L407 PolarHBondContact O-N 3.2Å; W405-S408 PolarHBondContact O-N 3.24Å; W405-S408 PolarHBondContact O-OG 3.06Å; W405-I409 HydrophobicContact CD2-CD1 3.61Å; W405-I409 HydrophobicContact CE3-CD1 4.02Å; W405-I409 HydrophobicContact CG-CD1 4.29Å; W405-I409 HydrophobicContact CH2-CD1 3.71Å; W405-I409 HydrophobicContact CZ2-CD1 3.2Å; W405-I409 HydrophobicContact CZ3-CD1 4.07Å; W405-I409 WeakPolarHBondContact O-CG1 3.39Å; W405-I409 PolarHBondContact O-N 3.29Å
406A96.3Very high94.6Very high1 Ų148.4 Ų48.41%0.00826%0.255CS..Hα-helixtrans-62.3-41.7178.800000111.2L276 A280 N403 I409 T410L276-A406 HydrophobicContact CD2-CB 3.25Å; L276-A406 HydrophobicContact CG-CB 4.06Å; A280-A406 HydrophobicContact CB-CB 3.74Å; N403-A406 HydrophobicContact CB-CB 4.24Å; N403-A406 PolarHBondContact O-N 2.84Å; A406-I409 PolarHBondContact O-N 3.26Å; A406-T410 VanDerWaalsContact O-CG2 3.23Å; A406-T410 WeakPolarHBondContact O-CG2 3.35Å; A406-T410 PolarHBondContact O-N 2.79Å; A406-T410 PolarHBondContact O-OG1 3.28Å
407L95.9Very high94.9Very high35 Ų3547.2 Ų47.218%0.18325%0.247CC..Hα-helixtrans-58.8-51.2175-172.9125000111.9A397 N398 N403 A404 W405 I409 T410 L411A397-L407 VanDerWaalsContact C-CD1 3.44Å; A397-L407 HydrophobicContact CB-CD1 4.23Å; A397-L407 WeakPolarHBondContact O-CD1 3.43Å; N398-L407 WeakPolarHBondContact OD1-CD1 3.17Å; N403-L407 PolarHBondContact O-N 3.11Å; N403-L407 VanDerWaalsContact O-N 3.07Å; A404-L407 PolarHBondContact O-N 3.48Å; W405-L407 VanDerWaalsContact C-N 3.31Å; W405-L407 PolarHBondContact O-N 3.2Å; L407-I409 PolarHBondContact O-N 3.05Å; L407-T410 PolarHBondContact O-N 3.38Å; L407-T410 VanDerWaalsContact O-N 3.11Å; L407-T410 PolarHBondContact O-OG1 3Å; L407-L411 HydrophobicContact CD2-CD1 3.83Å; L407-L411 PolarHBondContact O-N 3.48Å
408S96Very high95Very high51 Ų5147 Ų4736%0.35725%0.245SC..Hα-helixtrans-57.5-40.1179.3730000112.3A404 W405 L411 I412A404-S408 WeakPolarHBondContact O-CB 3.28Å; A404-S408 PolarHBondContact O-N 3.17Å; A404-S408 PolarHBondContact O-OG 3.03Å; W405-S408 PolarHBondContact O-N 3.24Å; W405-S408 PolarHBondContact O-OG 3.06Å; S408-L411 PolarHBondContact O-N 3.21Å; S408-I412 VanDerWaalsContact O-CG1 3.32Å; S408-I412 WeakPolarHBondContact O-CG1 3.48Å; S408-I412 PolarHBondContact O-N 2.93Å
409I96.5Very high95.2Very high12 Ų1246 Ų466%0.06224%0.241CC..Hα-helixtrans-66.8-43.1177.9-73.8-178000111.4A280 L284 W405 A406 L407 L411 I412 A413A280-I409 HydrophobicContact CB-CG2 4.3Å; A280-I409 WeakPolarHBondContact O-CG2 3.45Å; L284-I409 HydrophobicContact CB-CG2 3.52Å; L284-I409 HydrophobicContact CD1-CG2 4.34Å; L284-I409 HydrophobicContact CD2-CD1 4.43Å; L284-I409 HydrophobicContact CD2-CG1 4.44Å; L284-I409 HydrophobicContact CD2-CG2 3.93Å; L284-I409 HydrophobicContact CG-CG2 4.12Å; W405-I409 HydrophobicContact CD2-CD1 3.61Å; W405-I409 HydrophobicContact CE3-CD1 4.02Å; W405-I409 HydrophobicContact CG-CD1 4.29Å; W405-I409 HydrophobicContact CH2-CD1 3.71Å; W405-I409 HydrophobicContact CZ2-CD1 3.2Å; W405-I409 HydrophobicContact CZ3-CD1 4.07Å; W405-I409 WeakPolarHBondContact O-CG1 3.39Å; W405-I409 PolarHBondContact O-N 3.29Å; A406-I409 PolarHBondContact O-N 3.26Å; L407-I409 PolarHBondContact O-N 3.05Å; I409-L411 VanDerWaalsContact C-N 3.33Å; I409-L411 PolarHBondContact O-N 3.11Å; I409-I412 PolarHBondContact O-N 2.95Å; I409-A413 WeakPolarHBondContact O-CB 3.38Å; I409-A413 PolarHBondContact O-N 3.21Å
410T97Very high95.4Very high13 Ų1343.1 Ų43.18%0.0823%0.227CC..Hα-helixtrans-64.2-39.1178.5600000111.7A280 V313 A406 L407 A413 T414A280-T410 HydrophobicContact CB-CG2 4.04Å; V313-T410 HydrophobicContact CB-CG2 4.44Å; V313-T410 HydrophobicContact CG1-CG2 4.13Å; V313-T410 HydrophobicContact CG2-CG2 3.77Å; A406-T410 VanDerWaalsContact O-CG2 3.23Å; A406-T410 WeakPolarHBondContact O-CG2 3.35Å; A406-T410 PolarHBondContact O-N 2.79Å; A406-T410 PolarHBondContact O-OG1 3.28Å; L407-T410 PolarHBondContact O-N 3.38Å; L407-T410 VanDerWaalsContact O-N 3.11Å; L407-T410 PolarHBondContact O-OG1 3Å; T410-A413 PolarHBondContact O-N 3.46Å; T410-T414 VanDerWaalsContact O-CG2 3.22Å; T410-T414 WeakPolarHBondContact O-CG2 3.42Å; T410-T414 PolarHBondContact O-N 3.08Å
411L96.8Very high95.7Very high34 Ų3441.4 Ų41.418%0.17821%0.214CC..Hα-helixtrans-62.6-46.3173.7-67.2175000111.1I394 L407 S408 I409 A413 T414 S415 V491I394-L411 HydrophobicContact CG2-CD2 3.8Å; L407-L411 HydrophobicContact CD2-CD1 3.83Å; L407-L411 PolarHBondContact O-N 3.48Å; S408-L411 PolarHBondContact O-N 3.21Å; I409-L411 VanDerWaalsContact C-N 3.33Å; I409-L411 PolarHBondContact O-N 3.11Å; L411-A413 VanDerWaalsContact C-N 3.32Å; L411-A413 PolarHBondContact O-N 2.98Å; L411-T414 PolarHBondContact O-N 3.45Å; L411-T414 VanDerWaalsContact O-N 3.11Å; L411-T414 PolarHBondContact O-OG1 3.41Å; L411-S415 PolarHBondContact O-N 2.77Å; L411-S415 VanDerWaalsContact O-N 3.14Å; L411-V491 WeakPolarHBondContact O-CG1 3.28Å
412I97.4Very high96Very high85 Ų8530.3 Ų30.344%0.43617%0.172SC..Hα-helixtrans-59.8-43.3174.3-65163.5000110.8L284 S408 I409 T414 S415 L416L284-I412 HydrophobicContact CD1-CB 4.32Å; L284-I412 HydrophobicContact CD1-CG2 3.78Å; S408-I412 VanDerWaalsContact O-CG1 3.32Å; S408-I412 WeakPolarHBondContact O-CG1 3.48Å; S408-I412 PolarHBondContact O-N 2.93Å; I409-I412 PolarHBondContact O-N 2.95Å; I412-T414 VanDerWaalsContact C-N 3.27Å; I412-T414 PolarHBondContact O-N 3.25Å; I412-S415 PolarHBondContact O-N 3.16Å; I412-S415 PolarHBondContact O-OG 3.08Å; I412-L416 HydrophobicContact CG2-CD1 4.38Å; I412-L416 HydrophobicContact CG2-CG 4.45Å; I412-L416 WeakPolarHBondContact O-CG 3.2Å; I412-L416 PolarHBondContact O-N 3.45Å
413A96.9Very high96.2Very high4 Ų431.7 Ų31.73%0.03317%0.173CC..Hα-helixtrans-60.8-3817700000111.6T283 I409 T410 L411 L416 T417T283-A413 WeakPolarHBondContact OG1-CB 3.28Å; I409-A413 WeakPolarHBondContact O-CB 3.38Å; I409-A413 PolarHBondContact O-N 3.21Å; T410-A413 PolarHBondContact O-N 3.46Å; L411-A413 VanDerWaalsContact C-N 3.32Å; L411-A413 PolarHBondContact O-N 2.98Å; A413-L416 PolarHBondContact O-N 3.42Å; A413-T417 WeakPolarHBondContact O-CG2 3.26Å; A413-T417 PolarHBondContact O-N 3.08Å
414T96.3Very high96.3Very high2 Ų228.2 Ų28.21%0.01216%0.155CC..Hα-helixtrans-65.5-38.317765.10000112.8L310 I394 T410 L411 I412 T417 S418 V491L310-T414 HydrophobicContact CD1-CG2 4.22Å; I394-T414 HydrophobicContact CD1-CG2 3.8Å; I394-T414 HydrophobicContact CG1-CG2 4.47Å; T410-T414 VanDerWaalsContact O-CG2 3.22Å; T410-T414 WeakPolarHBondContact O-CG2 3.42Å; T410-T414 PolarHBondContact O-N 3.08Å; L411-T414 PolarHBondContact O-N 3.45Å; L411-T414 VanDerWaalsContact O-N 3.11Å; L411-T414 PolarHBondContact O-OG1 3.41Å; I412-T414 VanDerWaalsContact C-N 3.27Å; I412-T414 PolarHBondContact O-N 3.25Å; T414-T417 PolarHBondContact O-N 2.99Å; T414-T417 PolarHBondContact O-OG1 3.05Å; T414-S418 PolarHBondContact O-N 3.17Å; T414-V491 VanDerWaalsContact OG1-CG1 3.24Å; T414-V491 WeakPolarHBondContact OG1-CG1 2.99Å
415S97.2Very high96.3Very high26 Ų2626.2 Ų26.218%0.18213%0.133CC..Hα-helixtrans-67.1-38.7172.762.50000111.8L411 I412 T417 S418 A419 V491 G495L411-S415 PolarHBondContact O-N 2.77Å; L411-S415 VanDerWaalsContact O-N 3.14Å; I412-S415 PolarHBondContact O-N 3.16Å; I412-S415 PolarHBondContact O-OG 3.08Å; S415-T417 PolarHBondContact O-N 2.71Å; S415-S418 PolarHBondContact O-N 2.87Å; S415-S418 PolarHBondContact O-OG 2.89Å; S415-A419 PolarHBondContact O-N 3.25Å; S415-V491 WeakPolarHBondContact CB-O 3.42Å; S415-G495 WeakPolarHBondContact O-CA 3.48Å
416L96.8Very high96.2Very high30 Ų3021.6 Ų21.616%0.15712%0.118CC..Hα-helixtrans-63.3-31.7174.4-65.5-174.8000111.8L284 A287 V288 L291 I412 A413 A419 Y420L284-L416 HydrophobicContact CD1-CD1 4.37Å; A287-L416 HydrophobicContact CB-CB 3.74Å; A287-L416 HydrophobicContact CB-CD1 4.02Å; V288-L416 HydrophobicContact CG2-CD1 3.74Å; L291-L416 HydrophobicContact CD1-CD1 4.4Å; L291-L416 HydrophobicContact CD1-CD2 3.8Å; L291-L416 HydrophobicContact CD2-CD2 4.44Å; I412-L416 HydrophobicContact CG2-CD1 4.38Å; I412-L416 HydrophobicContact CG2-CG 4.45Å; I412-L416 WeakPolarHBondContact O-CG 3.2Å; I412-L416 PolarHBondContact O-N 3.45Å; A413-L416 PolarHBondContact O-N 3.42Å; L416-A419 PolarHBondContact O-N 2.94Å; L416-A419 VanDerWaalsContact O-N 3.11Å; L416-Y420 WeakPolarHBondContact O-CD1 3.32Å; L416-Y420 PolarHBondContact O-N 2.95Å
417T96.8Very high96.1Very high4 Ų423.4 Ų23.43%0.02513%0.127CC..Hα-helixtrans-60.9-45174.969.90000113.3K390 A413 T414 S415 A419 Y420 S421K390-T417 PolarHBondContact NZ-OG1 3.3Å; A413-T417 WeakPolarHBondContact O-CG2 3.26Å; A413-T417 PolarHBondContact O-N 3.08Å; T414-T417 PolarHBondContact O-N 2.99Å; T414-T417 PolarHBondContact O-OG1 3.05Å; S415-T417 PolarHBondContact O-N 2.71Å; T417-A419 VanDerWaalsContact C-N 3.35Å; T417-Y420 VanDerWaalsContact CA-CZ 3.48Å; T417-Y420 WeakPolarHBondContact CB-OH 3.46Å; T417-Y420 HydrophobicContact CG2-CE1 3.97Å; T417-Y420 VanDerWaalsContact CG2-OH 3.26Å; T417-Y420 WeakPolarHBondContact CG2-OH 3.46Å; T417-S421 VanDerWaalsContact O-CB 3.28Å; T417-S421 WeakPolarHBondContact O-CB 3.38Å; T417-S421 PolarHBondContact O-N 3.37Å; T417-S421 PolarHBondContact O-OG 3.46Å
418S96.1Very high96.1Very high2 Ų221.8 Ų21.81%0.01412%0.119CC..Hα-helixtrans-61.5-43.9170.232.40000111.3T414 S415 S421 T422 T492 G495T414-S418 PolarHBondContact O-N 3.17Å; S415-S418 PolarHBondContact O-N 2.87Å; S415-S418 PolarHBondContact O-OG 2.89Å; S418-S421 WeakPolarHBondContact CA-OG 3.31Å; S418-S421 PolarHBondContact O-N 3.22Å; S418-S421 PolarHBondContact O-OG 2.89Å; S418-T422 WeakPolarHBondContact O-CG2 3.36Å; S418-T422 PolarHBondContact O-N 2.69Å; S418-T422 PolarHBondContact O-OG1 3.02Å; S418-T422 VanDerWaalsContact O-OG1 3.05Å; S418-T492 VanDerWaalsContact CB-O 3.27Å; S418-T492 WeakPolarHBondContact CB-O 3.34Å; S418-T492 WeakPolarHBondContact OG-CA 3.3Å; S418-T492 PolarHBondContact OG-O 3.43Å; S418-T492 VanDerWaalsContact OG-O 3.06Å; S418-G495 WeakPolarHBondContact OG-CA 3.48Å
419A96.8Very high96.1Very high8 Ų819.4 Ų19.47%0.06610%0.102CC..Hα-helixtrans-64.4-45-174.700000114.2L291 S415 L416 T417 S421 T422 R423 G495 A499L291-A419 HydrophobicContact CD2-CB 3.99Å; S415-A419 PolarHBondContact O-N 3.25Å; L416-A419 PolarHBondContact O-N 2.94Å; L416-A419 VanDerWaalsContact O-N 3.11Å; T417-A419 VanDerWaalsContact C-N 3.35Å; A419-S421 VanDerWaalsContact C-N 3.34Å; A419-T422 PolarHBondContact O-OG1 3.35Å; A419-R423 WeakPolarHBondContact O-CB 3.49Å; A419-R423 PolarHBondContact O-N 3.05Å; A419-R423 VanDerWaalsContact O-N 3.09Å; A419-G495 WeakPolarHBondContact CA-O 3.43Å; A419-A499 HydrophobicContact CB-CB 4.03Å; A419-A499 WeakPolarHBondContact O-CB 3.47Å
420Y96.1Very high95.9Very high3 Ų321.4 Ų21.41%0.01212%0.115CC..Hα-helixtrans-72.7-29.3176.264.5-117.4000112.1A287 A290 I299 S303 S306 L378 L416 T417 M424A287-Y420 HydrophobicContact CB-CE1 4.14Å; A290-Y420 HydrophobicContact CB-CD1 3.63Å; A290-Y420 HydrophobicContact CB-CE1 4.07Å; A290-Y420 HydrophobicContact CB-CG 3.89Å; I299-Y420 HydrophobicContact CG2-CD2 4.44Å; S303-Y420 VanDerWaalsContact CB-CE2 3.43Å; S303-Y420 VanDerWaalsContact CB-OH 3.3Å; S303-Y420 WeakPolarHBondContact CB-OH 3.45Å; S306-Y420 PolarHBondContact OG-OH 3.43Å; S306-Y420 VanDerWaalsContact OG-OH 3.13Å; L378-Y420 HydrophobicContact CD2-CE2 4.09Å; L416-Y420 WeakPolarHBondContact O-CD1 3.32Å; L416-Y420 PolarHBondContact O-N 2.95Å; T417-Y420 VanDerWaalsContact CA-CZ 3.48Å; T417-Y420 WeakPolarHBondContact CB-OH 3.46Å; T417-Y420 HydrophobicContact CG2-CE1 3.97Å; T417-Y420 VanDerWaalsContact CG2-OH 3.26Å; T417-Y420 WeakPolarHBondContact CG2-OH 3.46Å; Y420-M424 PolarHBondContact O-N 3.05Å
421S95.6Very high95.5Very high4 Ų423.4 Ų23.43%0.02814%0.138CC..Hα-helixtrans-68.3-42.9178.474.90000111.5T417 S418 A419 M424 I425T417-S421 VanDerWaalsContact O-CB 3.28Å; T417-S421 WeakPolarHBondContact O-CB 3.38Å; T417-S421 PolarHBondContact O-N 3.37Å; T417-S421 PolarHBondContact O-OG 3.46Å; S418-S421 WeakPolarHBondContact CA-OG 3.31Å; S418-S421 PolarHBondContact O-N 3.22Å; S418-S421 PolarHBondContact O-OG 2.89Å; A419-S421 VanDerWaalsContact C-N 3.34Å; S421-M424 WeakPolarHBondContact O-CB 3.35Å; S421-M424 PolarHBondContact O-N 3.37Å; S421-I425 WeakPolarHBondContact O-CG1 3.24Å; S421-I425 PolarHBondContact O-N 2.83Å; S421-I425 VanDerWaalsContact O-N 3.09Å
422T95.4Very high95.2Very high13 Ų1329 Ų298%0.0816%0.163CC..Hα-helixtrans-70-39.3176.653.90000111.1S418 A419 M424 I425 L426 L496 A499S418-T422 WeakPolarHBondContact O-CG2 3.36Å; S418-T422 PolarHBondContact O-N 2.69Å; S418-T422 PolarHBondContact O-OG1 3.02Å; S418-T422 VanDerWaalsContact O-OG1 3.05Å; A419-T422 PolarHBondContact O-OG1 3.35Å; T422-M424 VanDerWaalsContact C-N 3.32Å; T422-M424 PolarHBondContact O-N 3.46Å; T422-I425 PolarHBondContact O-N 3.49Å; T422-L426 WeakPolarHBondContact O-CB 3.32Å; T422-L426 WeakPolarHBondContact O-CD1 3.15Å; T422-L426 WeakPolarHBondContact O-CG 3.09Å; T422-L426 PolarHBondContact O-N 2.74Å; T422-L496 HydrophobicContact CG2-CB 4.16Å; T422-L496 HydrophobicContact CG2-CD1 3.91Å; T422-L496 HydrophobicContact CG2-CG 3.81Å; T422-A499 WeakPolarHBondContact OG1-CB 3.2Å
423R95.4Very high95.1Very high65 Ų6528.3 Ų28.325%0.24516%0.164CC..Hα-helixtrans-53.9-47.8170.3172.6-177.8160.6129.4-5111.7L291 T292 Q293 N294 A419 L426 L427L291-R423 WeakPolarHBondContact O-CD 3.43Å; L291-R423 PolarHBondContact O-NE 3.07Å; L291-R423 PolarHBondContact O-NH1 3.4Å; T292-R423 PolarHBondContact O-NH2 3.42Å; Q293-R423 PolarHBondContact O-NH2 3.32Å; Q293-R423 VanDerWaalsContact O-NH2 3.11Å; N294-R423 PolarHBondContact OD1-NH2 3.26Å; N294-R423 VanDerWaalsContact OD1-NH2 3.1Å; A419-R423 WeakPolarHBondContact O-CB 3.49Å; A419-R423 PolarHBondContact O-N 3.05Å; A419-R423 VanDerWaalsContact O-N 3.09Å; R423-L426 PolarHBondContact O-N 3.28Å; R423-L427 HydrophobicContact CG-CD1 3.86Å; R423-L427 PolarHBondContact O-N 2.92Å
424M95.5Very high94.9Very high4 Ų433.1 Ų33.12%0.0218%0.181CC..Hα-helixtrans-59.5-49.7178.5-176-134.8-60.300110.9I296 V300 L337 L371 Y420 S421 T422 L426 T428I296-M424 HydrophobicContact CG1-CG 4.35Å; V300-M424 HydrophobicContact CG2-CE 4.17Å; L337-M424 HydrophobicContact CD2-CE 4.43Å; L371-M424 HydrophobicContact CD1-SD 4Å; L371-M424 HydrophobicContact CD2-SD 3.97Å; L371-M424 HydrophobicContact CG-SD 4.16Å; Y420-M424 PolarHBondContact O-N 3.05Å; S421-M424 WeakPolarHBondContact O-CB 3.35Å; S421-M424 PolarHBondContact O-N 3.37Å; T422-M424 VanDerWaalsContact C-N 3.32Å; T422-M424 PolarHBondContact O-N 3.46Å; M424-L426 PolarHBondContact O-N 3.1Å; M424-T428 HydrophobicContact CG-CG2 4.41Å; M424-T428 WeakPolarHBondContact O-CB 3.48Å; M424-T428 VanDerWaalsContact O-CG2 3.25Å; M424-T428 WeakPolarHBondContact O-CG2 3.44Å; M424-T428 PolarHBondContact O-N 3.05Å; M424-T428 PolarHBondContact O-OG1 3.48Å
425I95.9Very high94.7Very high31 Ų3134.7 Ų34.716%0.15919%0.188CC..Hα-helixtrans-57.7-49.1178-67164.9000111.1T372 S375 S421 T422 L429T372-I425 HydrophobicContact CG2-CG2 4.16Å; S375-I425 WeakPolarHBondContact OG-CD1 3.36Å; S421-I425 WeakPolarHBondContact O-CG1 3.24Å; S421-I425 PolarHBondContact O-N 2.83Å; S421-I425 VanDerWaalsContact O-N 3.09Å; T422-I425 PolarHBondContact O-N 3.49Å; I425-L429 HydrophobicContact CG2-CD1 4.25Å; I425-L429 VanDerWaalsContact O-CB 3.31Å; I425-L429 WeakPolarHBondContact O-CB 3.17Å; I425-L429 PolarHBondContact O-N 2.91Å
426L94Very high94.4Very high26 Ų2636.8 Ų36.814%0.13620%0.201CC..Hα-helixtrans-63.9-47.6-174.6-70.8163.8000111.6T422 R423 M424 T430 L500 N503T422-L426 WeakPolarHBondContact O-CB 3.32Å; T422-L426 WeakPolarHBondContact O-CD1 3.15Å; T422-L426 WeakPolarHBondContact O-CG 3.09Å; T422-L426 PolarHBondContact O-N 2.74Å; R423-L426 PolarHBondContact O-N 3.28Å; M424-L426 PolarHBondContact O-N 3.1Å; L426-T430 WeakPolarHBondContact CA-OG1 3.44Å; L426-T430 HydrophobicContact CD2-CG2 4.47Å; L426-T430 PolarHBondContact O-N 3.27Å; L426-T430 PolarHBondContact O-OG1 2.99Å; L426-L500 HydrophobicContact CD1-CD2 3.75Å; L426-L500 HydrophobicContact CD2-CD2 3.97Å; L426-L500 HydrophobicContact CG-CD2 4.4Å; L426-N503 HydrophobicContact CD1-CB 3.98Å
427L94.2Very high94.1Very high40 Ų4042.2 Ų42.221%0.20924%0.236CC..Hα-helixtrans-72.5-35.7-177.9-68.9173.9000112.5I354 R423 R434I354-L427 HydrophobicContact CB-CB 4.4Å; I354-L427 HydrophobicContact CD1-CB 4.42Å; I354-L427 HydrophobicContact CD1-CD1 3.57Å; I354-L427 HydrophobicContact CG1-CB 4.47Å; I354-L427 HydrophobicContact CG1-CD1 4.11Å; R423-L427 HydrophobicContact CG-CD1 3.86Å; R423-L427 PolarHBondContact O-N 2.92Å; L427-R434 PolarHBondContact O-NH2 2.92Å
428T95.3Very high93.7Very high0 Ų047.8 Ų47.80%027%0.265CS..Hα-helixtrans-85.4-46.9-17660.50000113I296 I354 M357 G358 L360 M424I296-T428 HydrophobicContact CD1-CG2 4.02Å; I354-T428 HydrophobicContact CB-CG2 4.04Å; I354-T428 HydrophobicContact CG2-CG2 3.64Å; M357-T428 HydrophobicContact CB-CG2 4.48Å; M357-T428 HydrophobicContact SD-CG2 3.71Å; G358-T428 VanDerWaalsContact CA-O 3.32Å; G358-T428 WeakPolarHBondContact CA-O 3.44Å; G358-T428 PolarHBondContact N-O 3.08Å; L360-T428 WeakPolarHBondContact CD1-O 3.38Å; L360-T428 WeakPolarHBondContact CG-O 3.42Å; M424-T428 HydrophobicContact CG-CG2 4.41Å; M424-T428 WeakPolarHBondContact O-CB 3.48Å; M424-T428 VanDerWaalsContact O-CG2 3.25Å; M424-T428 WeakPolarHBondContact O-CG2 3.44Å; M424-T428 PolarHBondContact O-N 3.05Å; M424-T428 PolarHBondContact O-OG1 3.48Å
429L95.5Very high92.8Very high2 Ų251.2 Ų51.21%0.0129%0.286CS..Hα-helixtrans-94.3-36.9-170.3-58.4-174.1000113.3G359 L360 L361 L371 T372 I425G359-L429 CarbonylContact C-O 3.43Å; G359-L429 WeakPolarHBondContact CA-O 3.26Å; G359-L429 PolarHBondContact N-O 2.91Å; L360-L429 HydrophobicContact CB-CD2 3.99Å; L360-L429 PolarHBondContact N-O 3.39Å; L361-L429 PolarHBondContact N-O 2.77Å; L371-L429 HydrophobicContact CB-CD1 4.45Å; L371-L429 HydrophobicContact CD2-CD1 3.65Å; L371-L429 HydrophobicContact CD2-CD2 4.07Å; L371-L429 HydrophobicContact CD2-CG 3.82Å; T372-L429 HydrophobicContact CG2-CD1 3.62Å; I425-L429 HydrophobicContact CG2-CD1 4.25Å; I425-L429 VanDerWaalsContact O-CB 3.31Å; I425-L429 WeakPolarHBondContact O-CB 3.17Å; I425-L429 PolarHBondContact O-N 2.91Å
430T92.8Very high92.2Very high54 Ų5456.2 Ų56.233%0.33131%0.311SS..SBendtrans-98.2177.6-174.878.90000112.5G359 L426G359-T430 PolarHBondContact N-O 3.33Å; L426-T430 WeakPolarHBondContact CA-OG1 3.44Å; L426-T430 HydrophobicContact CD2-CG2 4.47Å; L426-T430 PolarHBondContact O-N 3.27Å; L426-T430 PolarHBondContact O-OG1 2.99Å
431G89.3Confident92Very high54 Ų5458.1 Ų58.156%0.55732%0.321SS*.SBendtrans75.2-165.6-178.500000113.6G359G359-G431 WeakPolarHBondContact CA-O 3.36Å; G359-G431 PolarHBondContact N-O 2.86Å
432Q90.8Very high91.8Very high151 Ų15162.2 Ų62.271%0.70634%0.343SS*.SBendtrans-85.7150.1178.8-61.5-62.4-13.400111.2R434Q432-R434 PolarHBondContact O-N 3.43Å; Q432-R434 PolarHBondContact O-NH1 3.41Å
433P93.9Very high91.7Very high71 Ų7162.2 Ų62.246%0.46134%0.342SS..  trans-63.7127.2175.527.5-34.2000111G358 F435G358-P433 WeakPolarHBondContact O-CA 3.44Å; P433-F435 HydrophobicContact CB-CD1 3.99Å; P433-F435 HydrophobicContact CB-CE1 3.36Å; P433-F435 HydrophobicContact CB-CE2 3.97Å; P433-F435 HydrophobicContact CB-CZ 3.35Å; P433-F435 HydrophobicContact CG-CZ 4.45Å
434R93.5Very high91.6Very high105 Ų10565.5 Ų65.540%0.39636%0.364SS..  trans-115.47.9176.2-60175.4-67.4-82.20.6113R355 K356 M357 L427 Q432R355-R434 WeakPolarHBondContact O-CD 3.41Å; R355-R434 PolarHBondContact O-NE 3.47Å; K356-R434 CarbonylContact O-C 3.58Å; K356-R434 VanDerWaalsContact O-C 3.28Å; M357-R434 WeakPolarHBondContact O-CB 3.44Å; M357-R434 PolarHBondContact O-NE 3.1Å; M357-R434 VanDerWaalsContact O-NE 3.12Å; M357-R434 PolarHBondContact O-NH2 3.37Å; L427-R434 PolarHBondContact O-NH2 2.92Å; Q432-R434 PolarHBondContact O-N 3.43Å; Q432-R434 PolarHBondContact O-NH1 3.41Å
435F92.8Very high91.6Very high35 Ų3568 Ų6815%0.15438%0.378CS..SBendtrans-77.8162.5176.549.7-106.9000110.8L348 K356 G358 L360 P433 T439 I441L348-F435 HydrophobicContact CD2-CB 3.81Å; L348-F435 HydrophobicContact CD2-CD1 3.96Å; L348-F435 HydrophobicContact CD2-CD2 4.44Å; L348-F435 HydrophobicContact CD2-CG 3.82Å; K356-F435 WeakPolarHBondContact O-CA 3.41Å; K356-F435 VanDerWaalsContact O-CB 3.29Å; K356-F435 WeakPolarHBondContact O-CB 3.36Å; K356-F435 PolarHBondContact O-N 2.97Å; G358-F435 WeakPolarHBondContact O-CE1 3.5Å; L360-F435 HydrophobicContact CD2-CE1 4.24Å; P433-F435 HydrophobicContact CB-CD1 3.99Å; P433-F435 HydrophobicContact CB-CE1 3.36Å; P433-F435 HydrophobicContact CB-CE2 3.97Å; P433-F435 HydrophobicContact CB-CZ 3.35Å; P433-F435 HydrophobicContact CG-CZ 4.45Å; F435-T439 HydrophobicContact CD2-CG2 3.77Å; F435-T439 HydrophobicContact CE2-CG2 3.22Å; F435-T439 HydrophobicContact CZ-CG2 4.09Å; F435-I441 HydrophobicContact CZ-CD1 4.38Å
436P90.8Very high91.6Very high71 Ų7170 Ų7046%0.46139%0.393SS..  trans-54.2148.1176.5-24.433.9000112.6L438P436-L438 PolarHBondContact O-N 3.12Å; P436-L438 VanDerWaalsContact O-N 3.17Å
437T89.4Confident91.6Very high144 Ų14470 Ų7088%0.88339%0.394SS*.SBendtrans-59.7-31.4-173.8510000114.1T439T437-T439 PolarHBondContact O-N 3.31Å
438L87.9Confident91.7Very high120 Ų12068.1 Ų68.163%0.62838%0.384SS*.  trans-74.3108.3176.4-167.3103.5000110P436P436-L438 PolarHBondContact O-N 3.12Å; P436-L438 VanDerWaalsContact O-N 3.17Å
439T77.3Confident91.7Very high74 Ų7469.6 Ų69.645%0.45439%0.392SS..  trans-107.911518048.30000111.3F435 T437 I441F435-T439 HydrophobicContact CD2-CG2 3.77Å; F435-T439 HydrophobicContact CE2-CG2 3.22Å; F435-T439 HydrophobicContact CZ-CG2 4.09Å; T437-T439 PolarHBondContact O-N 3.31Å; T439-I441 HydrophobicContact CG2-CD1 4.25Å
440N84.8Confident91.8Very high113 Ų11372.5 Ų72.560%0.60441%0.407SS*.  trans-110.449167.2-78.3-2.6000109.9N442N440-N442 PolarHBondContact O-N 3.04Å
441I92.3Very high91.9Very high43 Ų4369.9 Ų69.922%0.22139%0.392CS..  trans-77.5116.2-178.5-60173.7000108.4N347 L348 T363 M364 F435 T439N347-I441 HydrophobicContact CB-CG2 4.41Å; L348-I441 HydrophobicContact CD2-CD1 4.43Å; T363-I441 HydrophobicContact CG2-CD1 4.42Å; M364-I441 HydrophobicContact CG-CG2 3.39Å; M364-I441 HydrophobicContact SD-CG2 3.72Å; F435-I441 HydrophobicContact CZ-CD1 4.38Å; T439-I441 HydrophobicContact CG2-CD1 4.25Å
442N91.9Very high92.3Very high90 Ų9067.3 Ų67.348%0.48137%0.365SS..  trans-133.8120.2172.8-173.85.2000110.2N347 N440 N444N347-N442 PolarHBondContact ND2-O 3.08Å; N347-N442 PolarHBondContact OD1-O 3.28Å; N440-N442 PolarHBondContact O-N 3.04Å; N442-N444 WeakPolarHBondContact OD1-CB 3.39Å; N442-N444 PolarHBondContact OD1-N 2.93Å
443E93.4Very high92.6Very high14 Ų1465.2 Ų65.27%0.06535%0.354CS..  trans-105.6-9.2177.2-154.6-178.8-176.600112.4M364 P365 L366 T367 N445 L448 L449M364-E443 WeakPolarHBondContact CA-OE2 3.43Å; M364-E443 HydrophobicContact CE-CG 4.41Å; P365-E443 VanDerWaalsContact CD-OE2 3.31Å; P365-E443 WeakPolarHBondContact CD-OE2 3.43Å; L366-E443 WeakPolarHBondContact CA-OE1 3.18Å; L366-E443 VanDerWaalsContact CB-OE1 3.24Å; L366-E443 WeakPolarHBondContact CB-OE1 3.35Å; L366-E443 PolarHBondContact N-OE1 3.01Å; T367-E443 WeakPolarHBondContact CB-OE1 3.22Å; T367-E443 HydrophobicContact CG2-CG 4.16Å; T367-E443 WeakPolarHBondContact CG2-OE1 3.29Å; T367-E443 PolarHBondContact N-OE1 2.77Å; T367-E443 PolarHBondContact OG1-OE1 3.17Å; E443-N445 PolarHBondContact O-N 3.22Å; E443-L448 HydrophobicContact CG-CD2 4.28Å; E443-L449 HydrophobicContact CG-CD2 3.95Å; E443-L449 WeakPolarHBondContact O-CD2 3.48Å; E443-L449 VanDerWaalsContact O-CG 3.26Å; E443-L449 WeakPolarHBondContact O-CG 3.34Å
444N93.4Very high92.7Very high133 Ų13363.8 Ų63.871%0.71134%0.339SS*.  trans-77.112.1-164.3-66.7-19.4000115.1N442N442-N444 WeakPolarHBondContact OD1-CB 3.39Å; N442-N444 PolarHBondContact OD1-N 2.93Å
445N94.8Very high92.9Very high56 Ų5658.8 Ų58.830%0.29932%0.32SS..  trans-84.3122.8-179.8-164.4-26.2000111.2E443 T447 L448 L449E443-N445 PolarHBondContact O-N 3.22Å; N445-T447 VanDerWaalsContact CG-OG1 3.26Å; N445-T447 PolarHBondContact ND2-OG1 3.5Å; N445-T447 PolarHBondContact O-N 2.86Å; N445-T447 PolarHBondContact OD1-N 3.42Å; N445-T447 VanDerWaalsContact OD1-N 3.14Å; N445-T447 PolarHBondContact OD1-OG1 3.15Å; N445-L448 HydrophobicContact CB-CB 4.36Å; N445-L448 WeakPolarHBondContact O-CB 3.24Å; N445-L448 PolarHBondContact O-N 3.38Å; N445-L449 WeakPolarHBondContact O-CG 3.29Å; N445-L449 PolarHBondContact O-N 3.01Å
446P95.4Very high93.1Very high73 Ų7358.1 Ų58.147%0.47432%0.319SS..Hα-helixtrans-57.9-32.5177.523.1-35.5000113.7L448 L449 N450P446-L448 PolarHBondContact O-N 3.06Å; P446-L449 PolarHBondContact O-N 3.09Å; P446-N450 WeakPolarHBondContact O-CB 3.47Å; P446-N450 PolarHBondContact O-N 3.49Å; P446-N450 PolarHBondContact O-ND2 2.83Å
447T94.6Very high93.3Very high28 Ų2856.8 Ų56.817%0.17231%0.313CS..Hα-helixtrans-69-18.7177.8550000112.9W104 N445 P451W104-T447 WeakPolarHBondContact CB-OG1 3.36Å; N445-T447 VanDerWaalsContact CG-OG1 3.26Å; N445-T447 PolarHBondContact ND2-OG1 3.5Å; N445-T447 PolarHBondContact O-N 2.86Å; N445-T447 PolarHBondContact OD1-N 3.42Å; N445-T447 VanDerWaalsContact OD1-N 3.14Å; N445-T447 PolarHBondContact OD1-OG1 3.15Å; T447-P451 WeakPolarHBondContact O-CD 3.29Å; T447-P451 WeakPolarHBondContact O-CG 3.28Å
448L95.6Very high93.6Very high0 Ų050.2 Ų50.20%028%0.275CS..Hα-helixtrans-89.7-48.6169.9172.164.2000111.6F101 W104 E443 N445 P446 P451 I452F101-L448 HydrophobicContact CD2-CD1 3.75Å; F101-L448 HydrophobicContact CE2-CD1 3.6Å; W104-L448 HydrophobicContact CD2-CB 4.14Å; W104-L448 HydrophobicContact CD2-CD1 4.42Å; W104-L448 HydrophobicContact CD2-CD2 4.47Å; W104-L448 HydrophobicContact CE3-CB 4.49Å; W104-L448 HydrophobicContact CE3-CD1 3.97Å; W104-L448 HydrophobicContact CG-CB 4.24Å; W104-L448 HydrophobicContact CH2-CD1 4.45Å; W104-L448 HydrophobicContact CH2-CD2 4.07Å; W104-L448 HydrophobicContact CZ2-CD2 3.96Å; W104-L448 HydrophobicContact CZ3-CD1 3.99Å; W104-L448 HydrophobicContact CZ3-CD2 4.41Å; E443-L448 HydrophobicContact CG-CD2 4.28Å; N445-L448 HydrophobicContact CB-CB 4.36Å; N445-L448 WeakPolarHBondContact O-CB 3.24Å; N445-L448 PolarHBondContact O-N 3.38Å; P446-L448 PolarHBondContact O-N 3.06Å; L448-P451 VanDerWaalsContact O-CD 3.29Å; L448-P451 WeakPolarHBondContact O-CD 3.37Å; L448-P451 VanDerWaalsContact O-CG 3.29Å; L448-P451 WeakPolarHBondContact O-CG 3.33Å; L448-I452 HydrophobicContact CD1-CD1 3.72Å; L448-I452 HydrophobicContact CG-CD1 4.19Å; L448-I452 WeakPolarHBondContact O-CG1 3.46Å
449L95.7Very high94Very high31 Ų3144.5 Ų44.516%0.16225%0.245CC..Hα-helixtrans-67.3-43.2-173.1-63.3171.6000112.5L366 E443 N445 P446 I452 K453L366-L449 HydrophobicContact CB-CD2 4.31Å; L366-L449 HydrophobicContact CD2-CB 4.11Å; L366-L449 HydrophobicContact CD2-CD2 3.31Å; L366-L449 HydrophobicContact CD2-CG 4.3Å; L366-L449 HydrophobicContact CG-CD2 4.41Å; E443-L449 HydrophobicContact CG-CD2 3.95Å; E443-L449 WeakPolarHBondContact O-CD2 3.48Å; E443-L449 VanDerWaalsContact O-CG 3.26Å; E443-L449 WeakPolarHBondContact O-CG 3.34Å; N445-L449 WeakPolarHBondContact O-CG 3.29Å; N445-L449 PolarHBondContact O-N 3.01Å; P446-L449 PolarHBondContact O-N 3.09Å; L449-I452 PolarHBondContact O-N 2.82Å; L449-K453 WeakPolarHBondContact O-CB 3.3Å; L449-K453 WeakPolarHBondContact O-CG 3.43Å; L449-K453 PolarHBondContact O-N 3.23Å
450N96.5Very high94.9Very high62 Ų6243.9 Ų43.933%0.33224%0.238SC..Hα-helixtrans-62-49.9-176.3-68-19.4000113.7P446 I452 K453 R454P446-N450 WeakPolarHBondContact O-CB 3.47Å; P446-N450 PolarHBondContact O-N 3.49Å; P446-N450 PolarHBondContact O-ND2 2.83Å; N450-I452 VanDerWaalsContact C-N 3.32Å; N450-I452 PolarHBondContact O-N 3.39Å; N450-K453 PolarHBondContact O-N 2.97Å; N450-R454 WeakPolarHBondContact O-CG 3.21Å; N450-R454 PolarHBondContact O-N 3.11Å
451P96.9Very high95.4Very high0 Ų044.6 Ų44.60%024%0.236CC..Hα-helixtrans-63.6-37.4178.424.3-34.1000112.6S97 E100 F101 M339 T447 L448 R454 L455S97-P451 WeakPolarHBondContact O-CB 3.49Å; E100-P451 HydrophobicContact CB-CB 4.45Å; E100-P451 HydrophobicContact CB-CG 4.38Å; E100-P451 HydrophobicContact CG-CG 4.33Å; F101-P451 HydrophobicContact CB-CG 4.19Å; M339-P451 HydrophobicContact CE-CB 4.19Å; M339-P451 HydrophobicContact SD-CB 4.18Å; T447-P451 WeakPolarHBondContact O-CD 3.29Å; T447-P451 WeakPolarHBondContact O-CG 3.28Å; L448-P451 VanDerWaalsContact O-CD 3.29Å; L448-P451 WeakPolarHBondContact O-CD 3.37Å; L448-P451 VanDerWaalsContact O-CG 3.29Å; L448-P451 WeakPolarHBondContact O-CG 3.33Å; P451-R454 PolarHBondContact O-N 3.19Å; P451-L455 PolarHBondContact O-N 2.83Å
452I96.7Very high95.5Very high0 Ų043.1 Ų43.10%023%0.231CC..Hα-helixtrans-62.2-49.3174.6-66.1173.5000110.1M339 L366 T367 S370 L448 L449 N450 R454 L455 T456M339-I452 HydrophobicContact CE-CG1 3.92Å; L366-I452 HydrophobicContact CD2-CG2 4.37Å; L366-I452 HydrophobicContact CG-CG2 4.44Å; T367-I452 HydrophobicContact CG2-CD1 3.88Å; S370-I452 VanDerWaalsContact CB-CG2 3.47Å; S370-I452 VanDerWaalsContact OG-CG2 3.31Å; S370-I452 WeakPolarHBondContact OG-CG2 3.29Å; L448-I452 HydrophobicContact CD1-CD1 3.72Å; L448-I452 HydrophobicContact CG-CD1 4.19Å; L448-I452 WeakPolarHBondContact O-CG1 3.46Å; L449-I452 PolarHBondContact O-N 2.82Å; N450-I452 VanDerWaalsContact C-N 3.32Å; N450-I452 PolarHBondContact O-N 3.39Å; I452-R454 VanDerWaalsContact C-N 3.29Å; I452-R454 PolarHBondContact O-N 2.99Å; I452-L455 PolarHBondContact O-N 2.98Å; I452-T456 HydrophobicContact CG2-CG2 4.21Å; I452-T456 WeakPolarHBondContact O-CG2 3.49Å; I452-T456 PolarHBondContact O-N 2.88Å; I452-T456 PolarHBondContact O-OG1 2.67Å
453K96.8Very high95.5Very high107 Ų10738.9 Ų38.947%0.46521%0.208SC..Hα-helixtrans-59.5-36.4177.5-74176.2-175.1177.90113.4L366 L449 N450 T456 A457L366-K453 HydrophobicContact CD1-CG 4.28Å; L366-K453 HydrophobicContact CD2-CG 4.06Å; L449-K453 WeakPolarHBondContact O-CB 3.3Å; L449-K453 WeakPolarHBondContact O-CG 3.43Å; L449-K453 PolarHBondContact O-N 3.23Å; N450-K453 PolarHBondContact O-N 2.97Å; K453-T456 WeakPolarHBondContact CA-OG1 3.31Å; K453-T456 PolarHBondContact O-OG1 2.88Å; K453-A457 WeakPolarHBondContact O-CB 3.21Å; K453-A457 PolarHBondContact O-N 3.38Å; K453-A457 VanDerWaalsContact O-N 3.15Å
454R97Very high95.5Very high41 Ų4142.5 Ų42.516%0.15522%0.224CC..Hα-helixtrans-68.8-43.9176.5-72.2-168.9-54.5-98.23.9111.7F93 E100 N450 P451 I452 A457 G458F93-R454 HydrophobicContact CZ-CB 3.92Å; E100-R454 IonicContact OE2-CZ 3.22Å; E100-R454 IonicContact OE2-NH1 2.73Å; E100-R454 PolarHBondContact OE2-NH1 3.32Å; E100-R454 IonicContact OE2-NH2 2.87Å; E100-R454 PolarHBondContact OE2-NH2 3.48Å; N450-R454 WeakPolarHBondContact O-CG 3.21Å; N450-R454 PolarHBondContact O-N 3.11Å; P451-R454 PolarHBondContact O-N 3.19Å; I452-R454 VanDerWaalsContact C-N 3.29Å; I452-R454 PolarHBondContact O-N 2.99Å; R454-A457 PolarHBondContact O-N 3.01Å; R454-G458 PolarHBondContact O-N 3.02Å
455L96.6Very high95.5Very high0 Ų040.5 Ų40.50%021%0.213CC..Hα-helixtrans-71.8-31.9177.8-75.8177.8000112.8F93 V94 S97 F332 A335 M336 M339 P451 I452 G458 S459F93-L455 HydrophobicContact CD1-CD2 4.13Å; F93-L455 HydrophobicContact CE1-CD2 3.91Å; V94-L455 HydrophobicContact CG2-CD2 4.17Å; S97-L455 WeakPolarHBondContact OG-CD1 3.45Å; F332-L455 HydrophobicContact CD1-CD2 4.04Å; A335-L455 HydrophobicContact CB-CD1 3.72Å; A335-L455 HydrophobicContact CB-CD2 4.48Å; M336-L455 HydrophobicContact CB-CB 4.1Å; M336-L455 HydrophobicContact CG-CB 4.41Å; M339-L455 HydrophobicContact CE-CB 4.28Å; M339-L455 HydrophobicContact CE-CD1 3.16Å; M339-L455 HydrophobicContact CE-CG 4.09Å; M339-L455 HydrophobicContact SD-CD1 3.82Å; P451-L455 PolarHBondContact O-N 2.83Å; I452-L455 PolarHBondContact O-N 2.98Å; L455-G458 PolarHBondContact O-N 3.44Å; L455-S459 WeakPolarHBondContact O-CB 3.49Å; L455-S459 PolarHBondContact O-N 2.8Å; L455-S459 PolarHBondContact O-OG 3.07Å
456T96.6Very high95.4Very high21 Ų2139 Ų3913%0.12920%0.204CC..Hα-helixtrans-62.3-48.2171.356.40000110.8M336 I452 K453 G458 S459 L460M336-T456 VanDerWaalsContact SD-CA 3.57Å; M336-T456 HydrophobicContact SD-CG2 3.36Å; M336-T456 WeakPolarHBondContact SD-CG2 3.39Å; I452-T456 HydrophobicContact CG2-CG2 4.21Å; I452-T456 WeakPolarHBondContact O-CG2 3.49Å; I452-T456 PolarHBondContact O-N 2.88Å; I452-T456 PolarHBondContact O-OG1 2.67Å; K453-T456 WeakPolarHBondContact CA-OG1 3.31Å; K453-T456 PolarHBondContact O-OG1 2.88Å; T456-G458 VanDerWaalsContact C-N 3.29Å; T456-G458 PolarHBondContact O-N 3.18Å; T456-S459 WeakPolarHBondContact CA-OG 3.39Å; T456-S459 CarbonylContact O-C 3.59Å; T456-S459 PolarHBondContact O-N 3.38Å; T456-S459 VanDerWaalsContact O-N 3.13Å; T456-S459 PolarHBondContact O-OG 3Å; T456-L460 WeakPolarHBondContact O-CG 3.42Å; T456-L460 PolarHBondContact O-N 2.81Å
457A96.6Very high95.2Very high42 Ų4237 Ų3735%0.34719%0.191SC..Hα-helixtrans-57.7-42.5174.500000111.7K453 R454 L460 F461K453-A457 WeakPolarHBondContact O-CB 3.21Å; K453-A457 PolarHBondContact O-N 3.38Å; K453-A457 VanDerWaalsContact O-N 3.15Å; R454-A457 PolarHBondContact O-N 3.01Å; A457-L460 PolarHBondContact O-N 3.4Å; A457-F461 WeakPolarHBondContact O-CD2 3.49Å; A457-F461 PolarHBondContact O-N 2.77Å
458G95.3Very high95Very high7 Ų740.3 Ų40.37%0.07221%0.208CC..Hα-helixtrans-58.5-47.7172.900000112.7T385 R454 L455 T456 L460 F461 A462T385-G458 WeakPolarHBondContact CG2-O 3.29Å; R454-G458 PolarHBondContact O-N 3.02Å; L455-G458 PolarHBondContact O-N 3.44Å; T456-G458 VanDerWaalsContact C-N 3.29Å; T456-G458 PolarHBondContact O-N 3.18Å; G458-L460 PolarHBondContact O-N 3.12Å; G458-F461 PolarHBondContact O-N 2.68Å; G458-A462 WeakPolarHBondContact O-CB 3.39Å; G458-A462 PolarHBondContact O-N 2.84Å
459S95.4Very high94.7Very high0 Ų044.7 Ų44.70%023%0.231CC..Hα-helixtrans-71-8.1178.7710000115.4M336 T385 L455 T456M336-S459 WeakPolarHBondContact CE-OG 3.33Å; T385-S459 VanDerWaalsContact CG2-C 3.42Å; T385-S459 VanDerWaalsContact CG2-O 3.24Å; T385-S459 WeakPolarHBondContact CG2-O 3.08Å; T385-S459 PolarHBondContact N-O 3.07Å; T385-S459 PolarHBondContact OG1-O 2.8Å; L455-S459 WeakPolarHBondContact O-CB 3.49Å; L455-S459 PolarHBondContact O-N 2.8Å; L455-S459 PolarHBondContact O-OG 3.07Å; T456-S459 WeakPolarHBondContact CA-OG 3.39Å; T456-S459 CarbonylContact O-C 3.59Å; T456-S459 PolarHBondContact O-N 3.38Å; T456-S459 VanDerWaalsContact O-N 3.13Å; T456-S459 PolarHBondContact O-OG 3Å
460L95.9Very high94.2Very high60 Ų6044.8 Ų44.831%0.31423%0.231SC..Hα-helixtrans-94.5-51.1170.7-68.6170.8000110.6I373 L384 T456 A457 G458I373-L460 HydrophobicContact CG2-CD2 4.04Å; I373-L460 HydrophobicContact CG2-CG 4.4Å; L384-L460 HydrophobicContact CD2-CD2 3.43Å; L384-L460 VanDerWaalsContact CD2-CD2 3.43Å; T456-L460 WeakPolarHBondContact O-CG 3.42Å; T456-L460 PolarHBondContact O-N 2.81Å; A457-L460 PolarHBondContact O-N 3.4Å; G458-L460 PolarHBondContact O-N 3.12Å
461F95.7Very high93.3Very high128 Ų12844 Ų4456%0.56123%0.23SC*.Hα-helixtrans-105.3-27.8-165.6-61.9-67.7000115.2A457 G458 G463 F464 L465A457-F461 WeakPolarHBondContact O-CD2 3.49Å; A457-F461 PolarHBondContact O-N 2.77Å; G458-F461 PolarHBondContact O-N 2.68Å; F461-G463 PolarHBondContact O-N 3.2Å; F461-F464 PolarHBondContact O-N 2.85Å; F461-L465 HydrophobicContact CB-CD1 4.34Å; F461-L465 WeakPolarHBondContact O-CG 3.27Å; F461-L465 PolarHBondContact O-N 3.23Å
462A93.8Very high92.3Very high13 Ų1349.3 Ų49.311%0.10727%0.265CS..Hα-helixtrans-62.8-41.7-168.200000112.6F332 G458 L465 I466F332-A462 HydrophobicContact CD2-CB 4.01Å; F332-A462 HydrophobicContact CE1-CB 4.23Å; F332-A462 HydrophobicContact CE2-CB 3.61Å; F332-A462 HydrophobicContact CZ-CB 3.74Å; G458-A462 WeakPolarHBondContact O-CB 3.39Å; G458-A462 PolarHBondContact O-N 2.84Å; A462-L465 PolarHBondContact O-N 2.92Å; A462-I466 HydrophobicContact CB-CD1 4.35Å; A462-I466 VanDerWaalsContact O-CB 3.23Å; A462-I466 WeakPolarHBondContact O-CB 3.48Å; A462-I466 WeakPolarHBondContact O-CD1 3.39Å; A462-I466 WeakPolarHBondContact O-CG1 3.2Å; A462-I466 PolarHBondContact O-N 3.2Å
463G92.5Very high91.2Very high0 Ų052.3 Ų52.30%029%0.29CS..Hα-helixtrans-57-51.2175.800000112.3F461 L465 I466 T467F461-G463 PolarHBondContact O-N 3.2Å; G463-L465 PolarHBondContact O-N 3.36Å; G463-I466 PolarHBondContact O-N 3.46Å; G463-T467 WeakPolarHBondContact O-CB 3.17Å; G463-T467 WeakPolarHBondContact O-CG2 3.43Å; G463-T467 PolarHBondContact O-N 3.29Å; G463-T467 PolarHBondContact O-OG1 3.4Å; G463-T467 VanDerWaalsContact O-OG1 3.14Å
464F93.9Very high89.9Confident90 Ų9048.1 Ų48.140%0.39527%0.274SS..Hα-helixtrans-59.5-44.8176.5174.9-105.5000112.6Y388 F461 T467 N468Y388-F464 HydrophobicContact CE1-CB 4.42Å; Y388-F464 HydrophobicContact CE1-CD2 4.03Å; Y388-F464 HydrophobicContact CE2-CB 3.77Å; Y388-F464 AromaticContact CZ-CD2 3.74Å; Y388-F464 WeakPolarHBondContact OH-CD2 3.43Å; F461-F464 PolarHBondContact O-N 2.85Å; F464-T467 PolarHBondContact O-OG1 3.42Å; F464-T467 VanDerWaalsContact O-OG1 3.05Å; F464-N468 WeakPolarHBondContact CD2-ND2 3.2Å; F464-N468 WeakPolarHBondContact CE1-ND2 3.44Å; F464-N468 WeakPolarHBondContact CE2-ND2 3.12Å; F464-N468 WeakPolarHBondContact CZ-ND2 3.39Å; F464-N468 WeakPolarHBondContact O-CB 3.22Å; F464-N468 PolarHBondContact O-N 3.06Å; F464-N468 PolarHBondContact O-ND2 2.99Å
465L93.8Very high88.7Confident92 Ų9252 Ų5248%0.48230%0.304SS..Hα-helixtrans-64.8-43.7178.6-70.9173000111.6F461 A462 G463 N469F461-L465 HydrophobicContact CB-CD1 4.34Å; F461-L465 WeakPolarHBondContact O-CG 3.27Å; F461-L465 PolarHBondContact O-N 3.23Å; A462-L465 PolarHBondContact O-N 2.92Å; G463-L465 PolarHBondContact O-N 3.36Å; L465-N469 WeakPolarHBondContact O-CB 3.26Å; L465-N469 PolarHBondContact O-N 3.35Å; L465-N469 PolarHBondContact O-ND2 3.14Å
466I92.3Very high87.5Confident23 Ų2357 Ų5712%0.11833%0.326CS..Hα-helixtrans-63.1-51.6178.9-71.6165.3000109M86 L325 C328 F332 A462 G463 N468 N469 I470M86-I466 HydrophobicContact CE-CG2 4.32Å; L325-I466 HydrophobicContact CG-CG2 4.48Å; C328-I466 HydrophobicContact CB-CD1 4.26Å; F332-I466 HydrophobicContact CE2-CD1 4.47Å; A462-I466 HydrophobicContact CB-CD1 4.35Å; A462-I466 VanDerWaalsContact O-CB 3.23Å; A462-I466 WeakPolarHBondContact O-CB 3.48Å; A462-I466 WeakPolarHBondContact O-CD1 3.39Å; A462-I466 WeakPolarHBondContact O-CG1 3.2Å; A462-I466 PolarHBondContact O-N 3.2Å; G463-I466 PolarHBondContact O-N 3.46Å; I466-N468 VanDerWaalsContact C-N 3.32Å; I466-N468 PolarHBondContact O-N 2.83Å; I466-N469 PolarHBondContact O-N 2.64Å; I466-I470 HydrophobicContact CB-CD1 4.48Å; I466-I470 HydrophobicContact CG2-CD1 3.27Å; I466-I470 HydrophobicContact CG2-CG1 4.05Å; I466-I470 VanDerWaalsContact O-CD1 3.27Å; I466-I470 WeakPolarHBondContact O-CD1 3.49Å; I466-I470 WeakPolarHBondContact O-CG1 3.45Å; I466-I470 PolarHBondContact O-N 3.46Å
467T90.8Very high86.3Confident33 Ų3361.8 Ų61.820%0.20235%0.347CS..Hα-helixtrans-62.8-35.8-174.558.50000113.8L325 Y388 G463 F464L325-T467 HydrophobicContact CD1-CG2 3.74Å; L325-T467 HydrophobicContact CD2-CG2 4.04Å; L325-T467 HydrophobicContact CG-CG2 4.37Å; Y388-T467 VanDerWaalsContact CB-CG2 3.47Å; Y388-T467 HydrophobicContact CD1-CG2 4.08Å; Y388-T467 HydrophobicContact CG-CG2 3.95Å; G463-T467 WeakPolarHBondContact O-CB 3.17Å; G463-T467 WeakPolarHBondContact O-CG2 3.43Å; G463-T467 PolarHBondContact O-N 3.29Å; G463-T467 PolarHBondContact O-OG1 3.4Å; G463-T467 VanDerWaalsContact O-OG1 3.14Å; F464-T467 PolarHBondContact O-OG1 3.42Å; F464-T467 VanDerWaalsContact O-OG1 3.05Å
468N90.2Very high85.3Confident97 Ų9765.9 Ų65.952%0.51937%0.368SS..Hα-helixtrans-78-25.7-179.1-65.8-10.9000113.1F464 I466F464-N468 WeakPolarHBondContact CD2-ND2 3.2Å; F464-N468 WeakPolarHBondContact CE1-ND2 3.44Å; F464-N468 WeakPolarHBondContact CE2-ND2 3.12Å; F464-N468 WeakPolarHBondContact CZ-ND2 3.39Å; F464-N468 WeakPolarHBondContact O-CB 3.22Å; F464-N468 PolarHBondContact O-N 3.06Å; F464-N468 PolarHBondContact O-ND2 2.99Å; I466-N468 VanDerWaalsContact C-N 3.32Å; I466-N468 PolarHBondContact O-N 2.83Å
469N88.9Confident85Confident92 Ų9271.1 Ų71.149%0.49240%0.399SS..Hα-helixtrans-95.3-16.4-176.2-65.9-23.5000112.7M53 L465 I466M53-N469 HydrophobicContact CE-CB 3.36Å; M53-N469 HydrophobicContact SD-CB 4.07Å; M53-N469 VanDerWaalsContact SD-O 3.34Å; L465-N469 WeakPolarHBondContact O-CB 3.26Å; L465-N469 PolarHBondContact O-N 3.35Å; L465-N469 PolarHBondContact O-ND2 3.14Å; I466-N469 PolarHBondContact O-N 2.64Å
470I85.6Confident84.7Confident33 Ų3373.1 Ų73.117%0.16941%0.409CS..SBendtrans-70.7133.9177-68.9159.6000110.1Y82 M86 L325 I466Y82-I470 HydrophobicContact CE2-CB 4.47Å; Y82-I470 HydrophobicContact CE2-CD1 4.48Å; Y82-I470 HydrophobicContact CE2-CG1 3.87Å; Y82-I470 HydrophobicContact CE2-CG2 3.89Å; Y82-I470 WeakPolarHBondContact OH-CD1 3.18Å; Y82-I470 WeakPolarHBondContact OH-CG1 3.42Å; M86-I470 HydrophobicContact CE-CD1 4.1Å; M86-I470 HydrophobicContact CE-CG1 3.3Å; L325-I470 HydrophobicContact CD1-CD1 3.67Å; L325-I470 HydrophobicContact CG-CD1 4.38Å; I466-I470 HydrophobicContact CB-CD1 4.48Å; I466-I470 HydrophobicContact CG2-CD1 3.27Å; I466-I470 HydrophobicContact CG2-CG1 4.05Å; I466-I470 VanDerWaalsContact O-CD1 3.27Å; I466-I470 WeakPolarHBondContact O-CD1 3.49Å; I466-I470 WeakPolarHBondContact O-CG1 3.45Å; I466-I470 PolarHBondContact O-N 3.46Å
471S79.1Confident84.6Confident44 Ų4472.7 Ų72.731%0.30841%0.41SS..  trans-65.4131.9167.343.90000110.6D56 A473D56-S471 PolarHBondContact OD1-OG 3.49Å; D56-S471 VanDerWaalsContact OD1-OG 3.09Å; S471-A473 PolarHBondContact O-N 2.94Å
472P75.3Confident84.5Confident112 Ų11273 Ų7373%0.72742%0.417SS*.  trans-67.1100.8-175.626.2-33.3000110.6
473A72.7Confident84.6Confident63 Ų6380.2 Ų80.252%0.52144%0.442SS..  trans-83.1-29.3-176.200000113.8S471S471-A473 PolarHBondContact O-N 2.94Å
474S71Confident84.6Confident19 Ų1981.9 Ų81.913%0.13345%0.451CS..SBendtrans-124.9142174.658.90000110.9Q319 F476Q319-S474 PolarHBondContact OE1-OG 2.85Å; S474-F476 PolarHBondContact O-N 3.17Å; S474-F476 VanDerWaalsContact O-N 3.14Å
475P71.3Confident84.5Confident122 Ų12280.7 Ų80.779%0.79245%0.445SS*.  trans-65.5117.317826.4-33000109.5Q477P475-Q477 PolarHBondContact O-N 3.03Å
476F70.6Confident84.6Confident106 Ų10680.4 Ų80.447%0.46544%0.444SS..  trans-71.4129.4170.8-63.4-64.8000109.7L322 S474 T478L322-F476 HydrophobicContact CD2-CE1 4.21Å; S474-F476 PolarHBondContact O-N 3.17Å; S474-F476 VanDerWaalsContact O-N 3.14Å; F476-T478 PolarHBondContact O-N 3.26Å
477Q72.2Confident84.7Confident122 Ų12280.5 Ų80.557%0.5745%0.446SS*.  trans-76.1111.4170.9-67.9179.5-11.200108.8M399 P475M399-Q477 VanDerWaalsContact CB-OE1 3.3Å; P475-Q477 PolarHBondContact O-N 3.03Å
478T76.1Confident84.8Confident127 Ų12779.3 Ų79.378%0.77944%0.439SS*.  trans-89.6-14.1-175.552.40000113.6F476F476-T478 PolarHBondContact O-N 3.26Å
479T87.3Confident85Confident117 Ų11778.5 Ų78.572%0.71844%0.435SS*.  trans-101.298.8-178.155.40000111.1
480I90.9Very high85.3Confident43 Ų4376.6 Ų76.622%0.22143%0.431CS..  trans-132.9140.7179.150.7-178.4000110.1E395 M399 K485E395-I480 HydrophobicContact CG-CD1 4.23Å; E395-I480 WeakPolarHBondContact OE2-CD1 3.39Å; M399-I480 HydrophobicContact CE-CG2 4.01Å; M399-I480 HydrophobicContact CG-CG2 3.64Å; M399-I480 HydrophobicContact SD-CB 4.49Å; M399-I480 HydrophobicContact SD-CG2 3.7Å; I480-K485 HydrophobicContact CD1-CB 3.6Å; I480-K485 HydrophobicContact CD1-CD 3.53Å; I480-K485 HydrophobicContact CD1-CG 3.79Å; I480-K485 HydrophobicContact CG1-CB 4.06Å
481P93.8Very high85.8Confident50 Ų5076.3 Ų76.333%0.32543%0.431SS..  trans-68.3147.2175.130.7-35000110.1Y483 L484 K485P481-Y483 HydrophobicContact CB-CD1 3.76Å; P481-Y483 HydrophobicContact CB-CE1 3.4Å; P481-Y483 VanDerWaalsContact CB-CE1 3.4Å; P481-Y483 HydrophobicContact CG-CD1 4.12Å; P481-Y483 HydrophobicContact CG-CE1 3.51Å; P481-Y483 HydrophobicContact CG-CE2 4.44Å; P481-Y483 PolarHBondContact O-N 3.01Å; P481-Y483 VanDerWaalsContact O-N 3.13Å; P481-L484 HydrophobicContact CG-CB 3.95Å; P481-L484 HydrophobicContact CG-CD1 3.61Å; P481-L484 HydrophobicContact CG-CG 3.74Å; P481-L484 PolarHBondContact O-N 3.15Å; P481-K485 PolarHBondContact O-N 3.15Å; P481-K485 VanDerWaalsContact O-N 3.09Å
482L93.5Very high86.6Confident135 Ų13575.2 Ų75.271%0.70742%0.423SS*.Hα-helixtrans-57-35.4-171.7-177135.7000113.2L484 K485 L486L482-L484 PolarHBondContact O-N 3.13Å; L482-K485 PolarHBondContact O-N 3.12Å; L482-L486 HydrophobicContact CD2-CD1 3.68Å; L482-L486 HydrophobicContact CG-CD1 4Å; L482-L486 WeakPolarHBondContact O-CG 3.25Å; L482-L486 PolarHBondContact O-N 3.3Å
483Y94.2Very high87.5Confident165 Ų16575.6 Ų75.665%0.64741%0.413SS*.Hα-helixtrans-65.2-38.2177.170.2-92.1000112.3P481 T487P481-Y483 HydrophobicContact CB-CD1 3.76Å; P481-Y483 HydrophobicContact CB-CE1 3.4Å; P481-Y483 VanDerWaalsContact CB-CE1 3.4Å; P481-Y483 HydrophobicContact CG-CD1 4.12Å; P481-Y483 HydrophobicContact CG-CE1 3.51Å; P481-Y483 HydrophobicContact CG-CE2 4.44Å; P481-Y483 PolarHBondContact O-N 3.01Å; P481-Y483 VanDerWaalsContact O-N 3.13Å; Y483-T487 VanDerWaalsContact O-CG2 3.28Å; Y483-T487 WeakPolarHBondContact O-CG2 3.42Å; Y483-T487 PolarHBondContact O-N 3.48Å
484L92.7Very high88.6Confident35 Ų3577.5 Ų77.518%0.18341%0.414CS..Hα-helixtrans-71.7-37.7176.1-70.8-178000112N398 M399 P481 L482 L486 T487N398-L484 HydrophobicContact CB-CD2 4.22Å; M399-L484 HydrophobicContact SD-CD1 3.6Å; M399-L484 VanDerWaalsContact SD-CD1 3.6Å; P481-L484 HydrophobicContact CG-CB 3.95Å; P481-L484 HydrophobicContact CG-CD1 3.61Å; P481-L484 HydrophobicContact CG-CG 3.74Å; P481-L484 PolarHBondContact O-N 3.15Å; L482-L484 PolarHBondContact O-N 3.13Å; L484-L486 VanDerWaalsContact C-N 3.33Å; L484-L486 PolarHBondContact O-N 3.31Å; L484-T487 HydrophobicContact CD2-CG2 4.34Å; L484-T487 PolarHBondContact O-N 2.95Å; L484-T487 PolarHBondContact O-OG1 2.93Å
485K93.3Very high89.8Confident64 Ų6476.6 Ų76.628%0.27841%0.408SS..Hα-helixtrans-63.6-41.9176.5-176.240.1161.7173.60111.4D391 E395 I480 P481 L482 T487D391-K485 IonicContact OD2-NZ 3.12Å; D391-K485 PolarHBondContact OD2-NZ 2.9Å; E395-K485 HydrophobicContact CG-CD 4.1Å; E395-K485 IonicContact OE1-NZ 2.78Å; E395-K485 PolarHBondContact OE1-NZ 2.83Å; E395-K485 IonicContact OE2-NZ 2.65Å; E395-K485 PolarHBondContact OE2-NZ 3.37Å; I480-K485 HydrophobicContact CD1-CB 3.6Å; I480-K485 HydrophobicContact CD1-CD 3.53Å; I480-K485 HydrophobicContact CD1-CG 3.79Å; I480-K485 HydrophobicContact CG1-CB 4.06Å; P481-K485 PolarHBondContact O-N 3.15Å; P481-K485 VanDerWaalsContact O-N 3.09Å; L482-K485 PolarHBondContact O-N 3.12Å; K485-T487 VanDerWaalsContact C-N 3.29Å; K485-T487 PolarHBondContact O-N 2.98Å
486L94.2Very high90.9Very high87 Ų8773.5 Ų73.546%0.45538%0.384SS..THydrogen-bonded Turntrans-831.7-178.2-64.2176.7000114L482 L484 A488 L489 A490L482-L486 HydrophobicContact CD2-CD1 3.68Å; L482-L486 HydrophobicContact CG-CD1 4Å; L482-L486 WeakPolarHBondContact O-CG 3.25Å; L482-L486 PolarHBondContact O-N 3.3Å; L484-L486 VanDerWaalsContact C-N 3.33Å; L484-L486 PolarHBondContact O-N 3.31Å; L486-A488 PolarHBondContact O-N 2.81Å; L486-L489 PolarHBondContact O-N 3.26Å; L486-A490 VanDerWaalsContact O-CB 3.3Å; L486-A490 WeakPolarHBondContact O-CB 3.37Å; L486-A490 PolarHBondContact O-N 3.42Å
487T94.5Very high92.1Very high25 Ų2572 Ų7215%0.15338%0.381CS..Hα-helixtrans-58.8-46.3-176.2500000112.9N398 Y483 L484 K485 L489 A490 V491N398-T487 PolarHBondContact ND2-OG1 3.32Å; Y483-T487 VanDerWaalsContact O-CG2 3.28Å; Y483-T487 WeakPolarHBondContact O-CG2 3.42Å; Y483-T487 PolarHBondContact O-N 3.48Å; L484-T487 HydrophobicContact CD2-CG2 4.34Å; L484-T487 PolarHBondContact O-N 2.95Å; L484-T487 PolarHBondContact O-OG1 2.93Å; K485-T487 VanDerWaalsContact C-N 3.29Å; K485-T487 PolarHBondContact O-N 2.98Å; T487-L489 VanDerWaalsContact C-N 3.34Å; T487-L489 PolarHBondContact O-N 2.94Å; T487-A490 PolarHBondContact O-N 3.05Å; T487-V491 VanDerWaalsContact O-CB 3.31Å; T487-V491 WeakPolarHBondContact O-CB 3.38Å; T487-V491 WeakPolarHBondContact O-CG2 3.43Å; T487-V491 PolarHBondContact O-N 3.37Å
488A93.6Very high93.2Very high8 Ų869.2 Ų69.27%0.06637%0.372CS..Hα-helixtrans-63.5-44.3-174.700000111D391 I394 L486 T492D391-A488 WeakPolarHBondContact OD1-CB 3.36Å; I394-A488 HydrophobicContact CB-CB 4.17Å; I394-A488 HydrophobicContact CD1-CB 3.52Å; I394-A488 HydrophobicContact CG1-CB 4.45Å; I394-A488 HydrophobicContact CG2-CB 4.1Å; L486-A488 PolarHBondContact O-N 2.81Å; A488-T492 WeakPolarHBondContact O-CB 3.28Å; A488-T492 WeakPolarHBondContact O-CG2 3.36Å; A488-T492 PolarHBondContact O-N 3.11Å; A488-T492 PolarHBondContact O-OG1 3.12Å
489L94.9Very high94Very high80 Ų8063.6 Ų63.642%0.41934%0.339SS..Hα-helixtrans-68.6-40.7178.3-167.2138.8000112P382 L486 T487 T492 F493P382-L489 HydrophobicContact CG-CD1 4.23Å; L486-L489 PolarHBondContact O-N 3.26Å; T487-L489 VanDerWaalsContact C-N 3.34Å; T487-L489 PolarHBondContact O-N 2.94Å; L489-T492 WeakPolarHBondContact CA-OG1 3.5Å; L489-T492 PolarHBondContact O-OG1 2.94Å; L489-F493 WeakPolarHBondContact O-CB 3.48Å; L489-F493 PolarHBondContact O-N 3.49Å
490A95.6Very high94.3Very high51 Ų5161.4 Ų61.442%0.42132%0.322SS..Hα-helixtrans-63.1-44.5176.900000112L486 T487 F493 L494L486-A490 VanDerWaalsContact O-CB 3.3Å; L486-A490 WeakPolarHBondContact O-CB 3.37Å; L486-A490 PolarHBondContact O-N 3.42Å; T487-A490 PolarHBondContact O-N 3.05Å; A490-F493 PolarHBondContact O-N 3.42Å; A490-L494 WeakPolarHBondContact O-CB 3.19Å; A490-L494 PolarHBondContact O-N 2.9Å
491V95.8Very high94.5Very high28 Ų2864.5 Ų64.517%0.1734%0.339CS..Hα-helixtrans-68.9-38.9-178.3173.10000111.7L411 T414 S415 T487 L494 G495L411-V491 WeakPolarHBondContact O-CG1 3.28Å; T414-V491 VanDerWaalsContact OG1-CG1 3.24Å; T414-V491 WeakPolarHBondContact OG1-CG1 2.99Å; S415-V491 WeakPolarHBondContact CB-O 3.42Å; T487-V491 VanDerWaalsContact O-CB 3.31Å; T487-V491 WeakPolarHBondContact O-CB 3.38Å; T487-V491 WeakPolarHBondContact O-CG2 3.43Å; T487-V491 PolarHBondContact O-N 3.37Å; V491-L494 WeakPolarHBondContact O-CB 3.45Å; V491-L494 PolarHBondContact O-N 3.27Å; V491-G495 PolarHBondContact O-N 3.5Å
492T95Very high94.3Very high21 Ų2167.5 Ų67.513%0.12935%0.352CS..Hα-helixtrans-68.1-39.1175.151.60000112.2A379 S418 A488 L489 G495 L496A379-T492 WeakPolarHBondContact O-CG2 3.23Å; S418-T492 VanDerWaalsContact CB-O 3.27Å; S418-T492 WeakPolarHBondContact CB-O 3.34Å; S418-T492 WeakPolarHBondContact OG-CA 3.3Å; S418-T492 PolarHBondContact OG-O 3.43Å; S418-T492 VanDerWaalsContact OG-O 3.06Å; A488-T492 WeakPolarHBondContact O-CB 3.28Å; A488-T492 WeakPolarHBondContact O-CG2 3.36Å; A488-T492 PolarHBondContact O-N 3.11Å; A488-T492 PolarHBondContact O-OG1 3.12Å; L489-T492 WeakPolarHBondContact CA-OG1 3.5Å; L489-T492 PolarHBondContact O-OG1 2.94Å; T492-G495 PolarHBondContact O-N 3.21Å; T492-L496 PolarHBondContact O-N 3.3Å
493F95.3Very high94.1Very high119 Ų11962.8 Ų62.852%0.52233%0.327SS..Hα-helixtrans-64-42.3174-173-110000112L489 A490 G495 L496 L497L489-F493 WeakPolarHBondContact O-CB 3.48Å; L489-F493 PolarHBondContact O-N 3.49Å; A490-F493 PolarHBondContact O-N 3.42Å; F493-G495 VanDerWaalsContact C-N 3.35Å; F493-G495 PolarHBondContact O-N 2.99Å; F493-L496 PolarHBondContact O-N 3.2Å; F493-L497 HydrophobicContact CD1-CD1 3.79Å; F493-L497 HydrophobicContact CD1-CG 4.27Å; F493-L497 HydrophobicContact CE1-CD1 3.36Å; F493-L497 HydrophobicContact CE1-CD2 4.41Å; F493-L497 HydrophobicContact CE1-CG 3.96Å; F493-L497 HydrophobicContact CE2-CG 4.47Å; F493-L497 HydrophobicContact CZ-CD1 3.88Å; F493-L497 HydrophobicContact CZ-CD2 4.07Å; F493-L497 HydrophobicContact CZ-CG 4.05Å; F493-L497 WeakPolarHBondContact O-CG 3.33Å; F493-L497 PolarHBondContact O-N 2.85Å
494L95.7Very high93.8Very high103 Ų10362 Ų6254%0.53933%0.325SS..Hα-helixtrans-57.2-45.3173.6-113.9161.6000112.3A490 V491 L496 L497 T498A490-L494 WeakPolarHBondContact O-CB 3.19Å; A490-L494 PolarHBondContact O-N 2.9Å; V491-L494 WeakPolarHBondContact O-CB 3.45Å; V491-L494 PolarHBondContact O-N 3.27Å; L494-L496 VanDerWaalsContact C-N 3.34Å; L494-L496 PolarHBondContact O-N 3.34Å; L494-L497 PolarHBondContact O-N 2.87Å; L494-T498 HydrophobicContact CD2-CG2 4.44Å; L494-T498 WeakPolarHBondContact O-CB 3.48Å; L494-T498 VanDerWaalsContact O-CG2 3.28Å; L494-T498 WeakPolarHBondContact O-CG2 3.28Å; L494-T498 PolarHBondContact O-N 3.48Å; L494-T498 PolarHBondContact O-OG1 3.4Å
495G95.5Very high93.6Very high1 Ų164.8 Ų64.81%0.0134%0.339CS..Hα-helixtrans-64.8-36176.700000113.5S415 S418 A419 V491 T492 F493 T498 A499S415-G495 WeakPolarHBondContact O-CA 3.48Å; S418-G495 WeakPolarHBondContact OG-CA 3.48Å; A419-G495 WeakPolarHBondContact CA-O 3.43Å; V491-G495 PolarHBondContact O-N 3.5Å; T492-G495 PolarHBondContact O-N 3.21Å; F493-G495 VanDerWaalsContact C-N 3.35Å; F493-G495 PolarHBondContact O-N 2.99Å; G495-T498 WeakPolarHBondContact CA-OG1 3.27Å; G495-T498 PolarHBondContact O-OG1 3.13Å; G495-A499 WeakPolarHBondContact O-CB 3.48Å; G495-A499 PolarHBondContact O-N 3.45Å
496L95.1Very high93.3Very high56 Ų5666.4 Ų66.429%0.29335%0.354SS..Hα-helixtrans-66.2-47.7175.1179146.5000111.9T422 T492 F493 L494 A499 L500T422-L496 HydrophobicContact CG2-CB 4.16Å; T422-L496 HydrophobicContact CG2-CD1 3.91Å; T422-L496 HydrophobicContact CG2-CG 3.81Å; T492-L496 PolarHBondContact O-N 3.3Å; F493-L496 PolarHBondContact O-N 3.2Å; L494-L496 VanDerWaalsContact C-N 3.34Å; L494-L496 PolarHBondContact O-N 3.34Å; L496-A499 PolarHBondContact O-N 2.93Å; L496-L500 HydrophobicContact CD2-CD1 3.56Å; L496-L500 HydrophobicContact CG-CD1 4.31Å; L496-L500 WeakPolarHBondContact O-CG 3.5Å; L496-L500 PolarHBondContact O-N 3.44Å; L496-L500 VanDerWaalsContact O-N 3.09Å
497L95.6Very high92.7Very high74 Ų7468.2 Ų68.239%0.38736%0.364SS..Hα-helixtrans-61.8-48.3179.3-72179.5000111.8F493 L494 A499 L500 D501F493-L497 HydrophobicContact CD1-CD1 3.79Å; F493-L497 HydrophobicContact CD1-CG 4.27Å; F493-L497 HydrophobicContact CE1-CD1 3.36Å; F493-L497 HydrophobicContact CE1-CD2 4.41Å; F493-L497 HydrophobicContact CE1-CG 3.96Å; F493-L497 HydrophobicContact CE2-CG 4.47Å; F493-L497 HydrophobicContact CZ-CD1 3.88Å; F493-L497 HydrophobicContact CZ-CD2 4.07Å; F493-L497 HydrophobicContact CZ-CG 4.05Å; F493-L497 WeakPolarHBondContact O-CG 3.33Å; F493-L497 PolarHBondContact O-N 2.85Å; L494-L497 PolarHBondContact O-N 2.87Å; L497-A499 VanDerWaalsContact C-N 3.3Å; L497-A499 PolarHBondContact O-N 3.08Å; L497-L500 PolarHBondContact O-N 2.91Å; L497-D501 PolarHBondContact O-N 2.98Å
498T94.3Very high92.2Very high64 Ų6471.3 Ų71.339%0.39338%0.376SS..Hα-helixtrans-59.6-40.618050.20000112.1L494 G495 L502L494-T498 HydrophobicContact CD2-CG2 4.44Å; L494-T498 WeakPolarHBondContact O-CB 3.48Å; L494-T498 VanDerWaalsContact O-CG2 3.28Å; L494-T498 WeakPolarHBondContact O-CG2 3.28Å; L494-T498 PolarHBondContact O-N 3.48Å; L494-T498 PolarHBondContact O-OG1 3.4Å; G495-T498 WeakPolarHBondContact CA-OG1 3.27Å; G495-T498 PolarHBondContact O-OG1 3.13Å; T498-L502 WeakPolarHBondContact O-CB 3.41Å; T498-L502 WeakPolarHBondContact O-CG 3.34Å; T498-L502 PolarHBondContact O-N 3.28Å
499A94.4Very high91.3Very high9 Ų979.8 Ų79.87%0.07442%0.419CS..Hα-helixtrans-69.5-36.5177.300000113.6A419 T422 G495 L496 L497 L502 N503A419-A499 HydrophobicContact CB-CB 4.03Å; A419-A499 WeakPolarHBondContact O-CB 3.47Å; T422-A499 WeakPolarHBondContact OG1-CB 3.2Å; G495-A499 WeakPolarHBondContact O-CB 3.48Å; G495-A499 PolarHBondContact O-N 3.45Å; L496-A499 PolarHBondContact O-N 2.93Å; L497-A499 VanDerWaalsContact C-N 3.3Å; L497-A499 PolarHBondContact O-N 3.08Å; A499-L502 PolarHBondContact O-N 2.75Å; A499-N503 WeakPolarHBondContact O-CB 3.11Å; A499-N503 PolarHBondContact O-N 2.73Å
500L93.2Very high90.7Very high72 Ų7283.7 Ų83.738%0.37743%0.432SS..Hα-helixtrans-63.1-46.1173.9-74.9169.2000111.3L426 L496 L497 L502 N503 Y504L426-L500 HydrophobicContact CD1-CD2 3.75Å; L426-L500 HydrophobicContact CD2-CD2 3.97Å; L426-L500 HydrophobicContact CG-CD2 4.4Å; L496-L500 HydrophobicContact CD2-CD1 3.56Å; L496-L500 HydrophobicContact CG-CD1 4.31Å; L496-L500 WeakPolarHBondContact O-CG 3.5Å; L496-L500 PolarHBondContact O-N 3.44Å; L496-L500 VanDerWaalsContact O-N 3.09Å; L497-L500 PolarHBondContact O-N 2.91Å; L500-L502 PolarHBondContact O-N 3.12Å; L500-N503 PolarHBondContact O-N 3.18Å; L500-Y504 PolarHBondContact O-N 2.95Å
501D93.6Very high90Very high107 Ų10790.5 Ų90.557%0.57246%0.458SS*.Hα-helixtrans-61.7-44.9177.4-78-11.8000111.5L497 N503 Y504 L505L497-D501 PolarHBondContact O-N 2.98Å; D501-N503 VanDerWaalsContact C-N 3.33Å; D501-N503 PolarHBondContact O-N 3.38Å; D501-Y504 PolarHBondContact O-N 2.83Å; D501-L505 VanDerWaalsContact O-CG 3.32Å; D501-L505 WeakPolarHBondContact O-CG 3.4Å; D501-L505 PolarHBondContact O-N 3.18Å
502L90.8Very high89.3Confident113 Ų11397.7 Ų97.759%0.59249%0.487SS*.Hα-helixtrans-60.1-42176.6-73.3173000111.8T498 A499 L500 L505 T506T498-L502 WeakPolarHBondContact O-CB 3.41Å; T498-L502 WeakPolarHBondContact O-CG 3.34Å; T498-L502 PolarHBondContact O-N 3.28Å; A499-L502 PolarHBondContact O-N 2.75Å; L500-L502 PolarHBondContact O-N 3.12Å; L502-L505 WeakPolarHBondContact O-CB 3.28Å; L502-L505 PolarHBondContact O-N 3.47Å; L502-T506 PolarHBondContact O-N 3.27Å; L502-T506 VanDerWaalsContact O-N 3.13Å
503N89.3Confident88.8Confident36 Ų36101.9 Ų101.919%0.19352%0.515CS..Hα-helixtrans-70.2-32.6176.8-170.145.2000112.6L426 A499 L500 D501 L505 T506L426-N503 HydrophobicContact CD1-CB 3.98Å; A499-N503 WeakPolarHBondContact O-CB 3.11Å; A499-N503 PolarHBondContact O-N 2.73Å; L500-N503 PolarHBondContact O-N 3.18Å; D501-N503 VanDerWaalsContact C-N 3.33Å; D501-N503 PolarHBondContact O-N 3.38Å; N503-L505 VanDerWaalsContact C-N 3.3Å; N503-T506 WeakPolarHBondContact CA-OG1 3.35Å; N503-T506 PolarHBondContact O-N 3.48Å; N503-T506 PolarHBondContact O-OG1 2.9Å; N503-T506 PolarHBondContact OD1-OG1 2.9Å
504Y88.1Confident88.4Confident150 Ų15099.4 Ų99.459%0.58851%0.511SS*.Hα-helixtrans-66.2-36.4171.9-177.2-110.7000111.5L500 D501 T506 N507 K508L500-Y504 PolarHBondContact O-N 2.95Å; D501-Y504 PolarHBondContact O-N 2.83Å; Y504-T506 VanDerWaalsContact C-N 3.34Å; Y504-T506 PolarHBondContact O-N 2.96Å; Y504-N507 PolarHBondContact O-N 3.49Å; Y504-K508 VanDerWaalsContact CE1-CE 3.42Å
505L88.1Confident88.2Confident93 Ų93100.4 Ų100.449%0.48752%0.516SS..Hα-helixtrans-66.5-32.6175-69174.6000112.9D501 L502 N503 N507 K508D501-L505 VanDerWaalsContact O-CG 3.32Å; D501-L505 WeakPolarHBondContact O-CG 3.4Å; D501-L505 PolarHBondContact O-N 3.18Å; L502-L505 WeakPolarHBondContact O-CB 3.28Å; L502-L505 PolarHBondContact O-N 3.47Å; N503-L505 VanDerWaalsContact C-N 3.3Å; L505-N507 VanDerWaalsContact C-N 3.26Å; L505-N507 PolarHBondContact O-N 2.92Å; L505-K508 HydrophobicContact CD2-CD 3.99Å; L505-K508 WeakPolarHBondContact O-CB 3.32Å; L505-K508 PolarHBondContact O-N 3.32Å; L505-K508 VanDerWaalsContact O-N 3.13Å
506T86.2Confident88.1Confident98 Ų98105.7 Ų105.760%0.60155%0.551SS**Hα-helixtrans-67-26.8177.651.20000113.3L502 N503 Y504 K508L502-T506 PolarHBondContact O-N 3.27Å; L502-T506 VanDerWaalsContact O-N 3.13Å; N503-T506 WeakPolarHBondContact CA-OG1 3.35Å; N503-T506 PolarHBondContact O-N 3.48Å; N503-T506 PolarHBondContact O-OG1 2.9Å; N503-T506 PolarHBondContact OD1-OG1 2.9Å; Y504-T506 VanDerWaalsContact C-N 3.34Å; Y504-T506 PolarHBondContact O-N 2.96Å; T506-K508 PolarHBondContact O-N 3.15Å
507N82.4Confident88Confident124 Ų124107.9 Ų107.966%0.66357%0.567SS**THydrogen-bonded Turntrans-75.1-13.6175.5-68.7-17.1000112.8Y504 L505Y504-N507 PolarHBondContact O-N 3.49Å; L505-N507 VanDerWaalsContact C-N 3.26Å; L505-N507 PolarHBondContact O-N 2.92Å
508K83.8Confident87.9Confident91 Ų91108 Ų10840%0.39657%0.565SS.*SBendtrans-77.7136.8174-58.6-178-1761770108.7Y504 L505 T506 K510Y504-K508 VanDerWaalsContact CE1-CE 3.42Å; L505-K508 HydrophobicContact CD2-CD 3.99Å; L505-K508 WeakPolarHBondContact O-CB 3.32Å; L505-K508 PolarHBondContact O-N 3.32Å; L505-K508 VanDerWaalsContact O-N 3.13Å; T506-K508 PolarHBondContact O-N 3.15Å; K508-K510 PolarHBondContact O-N 3.23Å
509L75.4Confident87.8Confident186 Ų186109.8 Ų109.897%0.97457%0.565SS**SBendtrans-70.856.1179.4-64.1168.8000112.7
510K81.5Confident87.9Confident161 Ų161113.6 Ų113.670%0.758%0.58SS**  trans-116.7103.7175.7-68.6-172.8179.9-174.60109.2K508 K512K508-K510 PolarHBondContact O-N 3.23Å; K510-K512 PolarHBondContact O-N 3.49Å
511M79.9Confident88Confident195 Ų195110.6 Ų110.696%0.96157%0.565SS**  trans-77.7118.9170.4-67-61.6-156.100109.3
512K81.6Confident88.1Confident178 Ų178108 Ų10877%0.77455%0.551SS**  trans-117.7140.3170.9-67.5-175.2179.6-177.30109.2K510K510-K512 PolarHBondContact O-N 3.49Å
513P85.3Confident88.2Confident110 Ų110106.8 Ų106.871%0.71454%0.543SS*.PPolyproline II helixtrans-64145.1172.928.2-33.6000110L515P513-L515 PolarHBondContact O-N 3.47Å
514P86.4Confident88.4Confident67 Ų67106.5 Ų106.544%0.43554%0.541SS..PPolyproline II helixtrans-63.4134.5175.326.9-34.7000110.7F518 Y519P514-F518 HydrophobicContact CB-CB 4.34Å; P514-F518 HydrophobicContact CB-CD1 3.63Å; P514-F518 HydrophobicContact CB-CE1 4.3Å; P514-F518 HydrophobicContact CB-CG 4.2Å; P514-Y519 HydrophobicContact CB-CE2 4.09Å; P514-Y519 HydrophobicContact CG-CE1 4.46Å; P514-Y519 HydrophobicContact CG-CE2 3.89Å; P514-Y519 WeakPolarHBondContact CG-OH 3.32Å
515L92.6Very high88.7Confident124 Ų124100.1 Ų100.165%0.64952%0.522SS*.PPolyproline II helixtrans-79.7161.3176.5-65166.8000111P513 T517 F518 Y519P513-L515 PolarHBondContact O-N 3.47Å; L515-T517 PolarHBondContact O-N 2.85Å; L515-T517 VanDerWaalsContact O-N 3.15Å; L515-F518 VanDerWaalsContact O-CB 3.31Å; L515-F518 WeakPolarHBondContact O-CB 3.38Å; L515-F518 PolarHBondContact O-N 3.11Å; L515-Y519 PolarHBondContact O-N 3.32Å
516C92.3Very high89Confident111 Ų11199.4 Ų99.475%0.7552%0.515SS*.Hα-helixtrans-54.5-33.7173.9-63.40000113F518 Y519 F520C516-F518 VanDerWaalsContact C-N 3.31Å; C516-F518 PolarHBondContact O-N 2.88Å; C516-Y519 PolarHBondContact O-N 3.47Å; C516-F520 PolarHBondContact O-N 2.79Å
517T92.9Very high89.4Confident102 Ų10298.2 Ų98.263%0.62650%0.5SS*.Hα-helixtrans-64.6-33.4176.152.50000112.9L515 S521L515-T517 PolarHBondContact O-N 2.85Å; L515-T517 VanDerWaalsContact O-N 3.15Å; T517-S521 PolarHBondContact O-N 3.38Å; T517-S521 VanDerWaalsContact O-N 3.15Å; T517-S521 PolarHBondContact O-OG 3.34Å; T517-S521 VanDerWaalsContact O-OG 3.1Å
518F93.3Very high90Very high78 Ų7893.5 Ų93.534%0.34248%0.476SS..Hα-helixtrans-66.9-44.4172.9177-96.5000110.8T292 P514 L515 C516 F520 S521 N522T292-F518 HydrophobicContact CG2-CD2 3.72Å; T292-F518 HydrophobicContact CG2-CE2 3.87Å; P514-F518 HydrophobicContact CB-CB 4.34Å; P514-F518 HydrophobicContact CB-CD1 3.63Å; P514-F518 HydrophobicContact CB-CE1 4.3Å; P514-F518 HydrophobicContact CB-CG 4.2Å; L515-F518 VanDerWaalsContact O-CB 3.31Å; L515-F518 WeakPolarHBondContact O-CB 3.38Å; L515-F518 PolarHBondContact O-N 3.11Å; C516-F518 VanDerWaalsContact C-N 3.31Å; C516-F518 PolarHBondContact O-N 2.88Å; F518-F520 PolarHBondContact O-N 3.22Å; F518-S521 PolarHBondContact O-N 3.36Å; F518-S521 PolarHBondContact O-OG 2.85Å; F518-N522 HydrophobicContact CE1-CB 4.44Å; F518-N522 VanDerWaalsContact O-CB 3.26Å; F518-N522 WeakPolarHBondContact O-CB 3.45Å; F518-N522 PolarHBondContact O-N 3.41Å
519Y93.6Very high90.5Very high101 Ų10192 Ų9240%0.39647%0.474SS..Hα-helixtrans-63.7-41.2176.4-69-63.3000112.6P514 L515 C516 S521 N522 M523P514-Y519 HydrophobicContact CB-CE2 4.09Å; P514-Y519 HydrophobicContact CG-CE1 4.46Å; P514-Y519 HydrophobicContact CG-CE2 3.89Å; P514-Y519 WeakPolarHBondContact CG-OH 3.32Å; L515-Y519 PolarHBondContact O-N 3.32Å; C516-Y519 PolarHBondContact O-N 3.47Å; Y519-S521 PolarHBondContact O-N 2.97Å; Y519-N522 PolarHBondContact O-N 3.39Å; Y519-M523 HydrophobicContact CD1-CE 4.41Å; Y519-M523 WeakPolarHBondContact O-CB 3.48Å; Y519-M523 PolarHBondContact O-N 3.02Å
520F95.5Very high91.5Very high89 Ų8987.9 Ų87.939%0.3945%0.452SS..Hα-helixtrans-57.8-49.3176178.4-93.6000112F285 C516 F518 L524 G525 F526F285-F520 HydrophobicContact CE2-CZ 4.41Å; C516-F520 PolarHBondContact O-N 2.79Å; F518-F520 PolarHBondContact O-N 3.22Å; F520-L524 PolarHBondContact O-N 3.41Å; F520-G525 VanDerWaalsContact CE2-CA 3.41Å; F520-G525 WeakPolarHBondContact O-CA 3.38Å; F520-G525 PolarHBondContact O-N 3.14Å; F520-F526 HydrophobicContact CB-CE2 4.44Å; F520-F526 HydrophobicContact CD2-CD2 4.34Å; F520-F526 HydrophobicContact CD2-CE2 4.36Å
521S95.7Very high92.1Very high8 Ų881.1 Ų81.16%0.05643%0.425CS..Hα-helixtrans-68.6-41.2179.855.60000112.8T292 T517 F518 Y519 L524T292-S521 WeakPolarHBondContact CG2-OG 3.17Å; T292-S521 VanDerWaalsContact OG1-C 3.27Å; T292-S521 WeakPolarHBondContact OG1-CB 3.5Å; T292-S521 PolarHBondContact OG1-OG 2.64Å; T517-S521 PolarHBondContact O-N 3.38Å; T517-S521 VanDerWaalsContact O-N 3.15Å; T517-S521 PolarHBondContact O-OG 3.34Å; T517-S521 VanDerWaalsContact O-OG 3.1Å; F518-S521 PolarHBondContact O-N 3.36Å; F518-S521 PolarHBondContact O-OG 2.85Å; Y519-S521 PolarHBondContact O-N 2.97Å; S521-L524 PolarHBondContact O-N 2.92Å
522N94.5Very high92.8Very high52 Ų5275 Ų7528%0.27839%0.393SS..Hα-helixtrans-70.7-38.3-177.6-168.920.1000112.1T292 Q293 F518 Y519 L524T292-N522 PolarHBondContact OG1-N 3.29Å; Q293-N522 PolarHBondContact NE2-O 3.14Å; F518-N522 HydrophobicContact CE1-CB 4.44Å; F518-N522 VanDerWaalsContact O-CB 3.26Å; F518-N522 WeakPolarHBondContact O-CB 3.45Å; F518-N522 PolarHBondContact O-N 3.41Å; Y519-N522 PolarHBondContact O-N 3.39Å; N522-L524 VanDerWaalsContact C-N 3.29Å; N522-L524 PolarHBondContact O-N 3.3Å
523M94.1Very high93.4Very high89 Ų8975.4 Ų75.444%0.43839%0.39SS..THydrogen-bonded Turntrans-90.622.2178.7-60.9-166.4-179.300113.8Y519 G525 F526Y519-M523 HydrophobicContact CD1-CE 4.41Å; Y519-M523 WeakPolarHBondContact O-CB 3.48Å; Y519-M523 PolarHBondContact O-N 3.02Å; M523-G525 VanDerWaalsContact C-N 3.34Å; M523-G525 PolarHBondContact O-N 3.34Å; M523-F526 HydrophobicContact CB-CD1 3.86Å; M523-F526 HydrophobicContact CB-CE1 3.89Å; M523-F526 HydrophobicContact CG-CE1 4.19Å; M523-F526 WeakPolarHBondContact O-CA 3.24Å; M523-F526 PolarHBondContact O-N 3.33Å; M523-F526 HydrophobicContact SD-CD1 3.97Å; M523-F526 HydrophobicContact SD-CE1 3.52Å; M523-F526 VanDerWaalsContact SD-CE1 3.52Å
524L93.9Very high93.9Very high29 Ų2973.2 Ų73.215%0.15238%0.375CS..G310 helixtrans54.447.1174.5-51.5-177.2000113.1C289 F302 F520 S521 N522 F526 Y527 P528C289-L524 HydrophobicContact CB-CD2 3.78Å; F302-L524 HydrophobicContact CE1-CD2 3.98Å; F302-L524 HydrophobicContact CE2-CD2 3.58Å; F302-L524 HydrophobicContact CZ-CD1 3.81Å; F302-L524 HydrophobicContact CZ-CD2 3.14Å; F302-L524 HydrophobicContact CZ-CG 4.08Å; F520-L524 PolarHBondContact O-N 3.41Å; S521-L524 PolarHBondContact O-N 2.92Å; N522-L524 VanDerWaalsContact C-N 3.29Å; N522-L524 PolarHBondContact O-N 3.3Å; L524-F526 PolarHBondContact O-N 2.86Å; L524-Y527 PolarHBondContact O-N 3.28Å; L524-Y527 VanDerWaalsContact O-N 3.11Å; L524-P528 HydrophobicContact CB-CG 4.07Å; L524-P528 HydrophobicContact CD1-CG 4.1Å; L524-P528 WeakPolarHBondContact O-CD 3.42Å
525G92.9Very high94.3Very high17 Ų1775.3 Ų75.318%0.17538%0.381CS..G310 helixtrans6321.1-178.200000114.5F520 M523 Y527F520-G525 VanDerWaalsContact CE2-CA 3.41Å; F520-G525 WeakPolarHBondContact O-CA 3.38Å; F520-G525 PolarHBondContact O-N 3.14Å; M523-G525 VanDerWaalsContact C-N 3.34Å; M523-G525 PolarHBondContact O-N 3.34Å; G525-Y527 PolarHBondContact O-N 3.49Å
526F95.3Very high94.5Very high78 Ų7872.3 Ų72.334%0.34237%0.369SS..G310 helixtrans56.911.9-170.7-51.2-73.7000114F520 M523 L524 T529 I530F520-F526 HydrophobicContact CB-CE2 4.44Å; F520-F526 HydrophobicContact CD2-CD2 4.34Å; F520-F526 HydrophobicContact CD2-CE2 4.36Å; M523-F526 HydrophobicContact CB-CD1 3.86Å; M523-F526 HydrophobicContact CB-CE1 3.89Å; M523-F526 HydrophobicContact CG-CE1 4.19Å; M523-F526 WeakPolarHBondContact O-CA 3.24Å; M523-F526 PolarHBondContact O-N 3.33Å; M523-F526 HydrophobicContact SD-CD1 3.97Å; M523-F526 HydrophobicContact SD-CE1 3.52Å; M523-F526 VanDerWaalsContact SD-CE1 3.52Å; L524-F526 PolarHBondContact O-N 2.86Å; F526-T529 WeakPolarHBondContact CA-OG1 3.4Å; F526-T529 PolarHBondContact O-N 3.28Å; F526-T529 PolarHBondContact O-OG1 3.42Å; F526-I530 HydrophobicContact CB-CD1 4.03Å; F526-I530 HydrophobicContact CB-CG1 4.47Å; F526-I530 WeakPolarHBondContact O-CB 3.48Å; F526-I530 VanDerWaalsContact O-CG1 3.29Å; F526-I530 WeakPolarHBondContact O-CG1 3.29Å; F526-I530 PolarHBondContact O-N 3.46Å
527Y94.9Very high94.7Very high73 Ų7374.3 Ų74.329%0.28636%0.362SS..Hα-helixtrans-66.8-52.1-174.1-177.4-83.6000111.5G226 H228 P229 L524 G525 T529 I530 T531G226-Y527 PolarHBondContact O-OH 2.97Å; H228-Y527 AromaticContact CE1-CD1 3.69Å; H228-Y527 AromaticContact CE1-CG 3.87Å; H228-Y527 AromaticContact NE2-CD1 4Å; P229-Y527 HydrophobicContact CG-CD1 3.44Å; P229-Y527 VanDerWaalsContact CG-CD1 3.44Å; P229-Y527 HydrophobicContact CG-CE1 3.51Å; L524-Y527 PolarHBondContact O-N 3.28Å; L524-Y527 VanDerWaalsContact O-N 3.11Å; G525-Y527 PolarHBondContact O-N 3.49Å; Y527-T529 VanDerWaalsContact C-N 3.32Å; Y527-T529 PolarHBondContact O-N 3.07Å; Y527-I530 PolarHBondContact O-N 2.9Å; Y527-T531 HydrophobicContact CD1-CG2 4.25Å; Y527-T531 HydrophobicContact CD2-CG2 4.03Å; Y527-T531 HydrophobicContact CE1-CG2 3.92Å; Y527-T531 WeakPolarHBondContact CE1-OG1 3.43Å; Y527-T531 HydrophobicContact CE2-CG2 3.69Å; Y527-T531 HydrophobicContact CG-CG2 4.29Å; Y527-T531 WeakPolarHBondContact O-CB 3.43Å; Y527-T531 WeakPolarHBondContact O-CG2 3.48Å; Y527-T531 PolarHBondContact O-N 3.1Å; Y527-T531 PolarHBondContact O-OG1 3.22Å
528P94.3Very high94.9Very high25 Ų2574.5 Ų74.516%0.16236%0.359CS..Hα-helixtrans-62.3-39.7176.4-21.835.1000112.1P229 L524 I530 H532P229-P528 HydrophobicContact CB-CG 4.27Å; P229-P528 HydrophobicContact CG-CG 4.45Å; L524-P528 HydrophobicContact CB-CG 4.07Å; L524-P528 HydrophobicContact CD1-CG 4.1Å; L524-P528 WeakPolarHBondContact O-CD 3.42Å; P528-I530 VanDerWaalsContact C-N 3.31Å; P528-I530 PolarHBondContact O-N 2.94Å; P528-H532 WeakPolarHBondContact O-CB 3.36Å; P528-H532 PolarHBondContact O-N 3.35Å
529T94.1Very high95Very high59 Ų5972.5 Ų72.536%0.36236%0.36SS..Hα-helixtrans-64.3-35.1-17848.30000113F526 Y527 R533F526-T529 WeakPolarHBondContact CA-OG1 3.4Å; F526-T529 PolarHBondContact O-N 3.28Å; F526-T529 PolarHBondContact O-OG1 3.42Å; Y527-T529 VanDerWaalsContact C-N 3.32Å; Y527-T529 PolarHBondContact O-N 3.07Å; T529-R533 WeakPolarHBondContact O-CD 3.03Å; T529-R533 WeakPolarHBondContact O-CG 3.41Å
530I96Very high95.1Very high99 Ų9973.3 Ų73.351%0.50837%0.371SS..Hα-helixtrans-82.2-60.8176.8-63.9165.9000108.9F526 Y527 P528 H532 R533 T534F526-I530 HydrophobicContact CB-CD1 4.03Å; F526-I530 HydrophobicContact CB-CG1 4.47Å; F526-I530 WeakPolarHBondContact O-CB 3.48Å; F526-I530 VanDerWaalsContact O-CG1 3.29Å; F526-I530 WeakPolarHBondContact O-CG1 3.29Å; F526-I530 PolarHBondContact O-N 3.46Å; Y527-I530 PolarHBondContact O-N 2.9Å; P528-I530 VanDerWaalsContact C-N 3.31Å; P528-I530 PolarHBondContact O-N 2.94Å; I530-H532 PolarHBondContact O-N 2.87Å; I530-R533 PolarHBondContact O-N 2.9Å; I530-T534 HydrophobicContact CG2-CG2 4.38Å; I530-T534 WeakPolarHBondContact O-CB 3.33Å; I530-T534 WeakPolarHBondContact O-CG2 3.43Å; I530-T534 PolarHBondContact O-N 3.45Å; I530-T534 PolarHBondContact O-OG1 3.48Å
531T94.6Very high95.2Very high20 Ų2071.7 Ų71.712%0.12337%0.366CS..Hα-helixtrans-66.6-43-168.559.50000113.7Y527 R533 I535 P536Y527-T531 HydrophobicContact CD1-CG2 4.25Å; Y527-T531 HydrophobicContact CD2-CG2 4.03Å; Y527-T531 HydrophobicContact CE1-CG2 3.92Å; Y527-T531 WeakPolarHBondContact CE1-OG1 3.43Å; Y527-T531 HydrophobicContact CE2-CG2 3.69Å; Y527-T531 HydrophobicContact CG-CG2 4.29Å; Y527-T531 WeakPolarHBondContact O-CB 3.43Å; Y527-T531 WeakPolarHBondContact O-CG2 3.48Å; Y527-T531 PolarHBondContact O-N 3.1Å; Y527-T531 PolarHBondContact O-OG1 3.22Å; T531-R533 PolarHBondContact O-N 3.5Å; T531-I535 HydrophobicContact CG2-CD1 4.38Å; T531-I535 WeakPolarHBondContact O-CB 3.34Å; T531-I535 WeakPolarHBondContact O-CG1 3.49Å; T531-I535 PolarHBondContact O-N 2.94Å; T531-I535 VanDerWaalsContact O-N 3.15Å; T531-P536 WeakPolarHBondContact O-CD 3.33Å
532H94.8Very high95.2Very high65 Ų6574.8 Ų74.830%0.30139%0.385SS..Hα-helixtrans-74.5-13.8-178.7-57.7167.3000113.1Q168 Y172 P528 I530 P536Q168-H532 PolarHBondContact NE2-CE1 2.73Å; Y172-H532 AromaticContact CE2-NE2 3.9Å; Y172-H532 AromaticContact CZ-NE2 3.8Å; Y172-H532 PolarHBondContact OH-NE2 3.42Å; P528-H532 WeakPolarHBondContact O-CB 3.36Å; P528-H532 PolarHBondContact O-N 3.35Å; I530-H532 PolarHBondContact O-N 2.87Å; H532-P536 WeakPolarHBondContact O-CD 3.23Å; H532-P536 WeakPolarHBondContact O-CG 3.41Å
533R94.6Very high95.4Very high188 Ų18875 Ų7571%0.70939%0.39SS*.Hα-helixtrans-94.7-50.9174-66.8-172.7177.6-171.4-1.4111.4T529 I530 T531 Y537T529-R533 WeakPolarHBondContact O-CD 3.03Å; T529-R533 WeakPolarHBondContact O-CG 3.41Å; I530-R533 PolarHBondContact O-N 2.9Å; T531-R533 PolarHBondContact O-N 3.5Å; R533-Y537 WeakPolarHBondContact O-CB 3.34Å; R533-Y537 PolarHBondContact O-N 2.94Å
534T96.4Very high95.5Very high64 Ų6475.5 Ų75.539%0.39339%0.391SS..Hα-helixtrans-71.7-45-172.758.90000112.3I530 Y537 L538I530-T534 HydrophobicContact CG2-CG2 4.38Å; I530-T534 WeakPolarHBondContact O-CB 3.33Å; I530-T534 WeakPolarHBondContact O-CG2 3.43Å; I530-T534 PolarHBondContact O-N 3.45Å; I530-T534 PolarHBondContact O-OG1 3.48Å; T534-Y537 PolarHBondContact O-N 2.98Å; T534-L538 WeakPolarHBondContact O-CB 3.31Å; T534-L538 VanDerWaalsContact O-CG 3.31Å; T534-L538 WeakPolarHBondContact O-CG 3.27Å; T534-L538 PolarHBondContact O-N 2.97Å
535I95.2Very high95.6Very high110 Ų11078 Ų7856%0.56441%0.405SS*.Hα-helixtrans-67-49.3-174.8-58.9169.8000111T531 Y537 L538 G539T531-I535 HydrophobicContact CG2-CD1 4.38Å; T531-I535 WeakPolarHBondContact O-CB 3.34Å; T531-I535 WeakPolarHBondContact O-CG1 3.49Å; T531-I535 PolarHBondContact O-N 2.94Å; T531-I535 VanDerWaalsContact O-N 3.15Å; I535-Y537 PolarHBondContact O-N 3.28Å; I535-L538 PolarHBondContact O-N 2.92Å; I535-G539 PolarHBondContact O-N 3.36Å
536P95.8Very high95.7Very high62 Ų6281.9 Ų81.940%0.40342%0.421SS..Hα-helixtrans-66.6-36.8177.3-24.938.9000113.1T531 H532 G539 L540T531-P536 WeakPolarHBondContact O-CD 3.33Å; H532-P536 WeakPolarHBondContact O-CD 3.23Å; H532-P536 WeakPolarHBondContact O-CG 3.41Å; P536-G539 PolarHBondContact O-N 2.89Å; P536-L540 WeakPolarHBondContact O-CB 3.34Å; P536-L540 VanDerWaalsContact O-CG 3.28Å; P536-L540 WeakPolarHBondContact O-CG 3.22Å; P536-L540 PolarHBondContact O-N 2.98Å
537Y96.6Very high95.8Very high152 Ų15280.7 Ų80.760%0.59642%0.421SS*.Hα-helixtrans-61.4-49.7176.9175.9-107.4000111.6R533 T534 I535 L541R533-Y537 WeakPolarHBondContact O-CB 3.34Å; R533-Y537 PolarHBondContact O-N 2.94Å; T534-Y537 PolarHBondContact O-N 2.98Å; I535-Y537 PolarHBondContact O-N 3.28Å; Y537-L541 HydrophobicContact CD1-CD1 3.89Å; Y537-L541 HydrophobicContact CD2-CD1 4.06Å; Y537-L541 HydrophobicContact CD2-CG 4.31Å; Y537-L541 HydrophobicContact CE1-CD1 3.37Å; Y537-L541 HydrophobicContact CE2-CD1 3.55Å; Y537-L541 HydrophobicContact CE2-CG 4.05Å; Y537-L541 HydrophobicContact CG-CD1 4.23Å; Y537-L541 VanDerWaalsContact O-CB 3.31Å; Y537-L541 WeakPolarHBondContact O-CB 3.35Å; Y537-L541 VanDerWaalsContact O-CG 3.31Å; Y537-L541 WeakPolarHBondContact O-CG 3.47Å; Y537-L541 PolarHBondContact O-N 3.19Å; Y537-L541 WeakPolarHBondContact OH-CD1 3.49Å
538L96.4Very high95.8Very high107 Ų10781.2 Ų81.256%0.5643%0.428SS*.Hα-helixtrans-64.8-42.1177-69172.8000111.6T534 I535 T542T534-L538 WeakPolarHBondContact O-CB 3.31Å; T534-L538 VanDerWaalsContact O-CG 3.31Å; T534-L538 WeakPolarHBondContact O-CG 3.27Å; T534-L538 PolarHBondContact O-N 2.97Å; I535-L538 PolarHBondContact O-N 2.92Å; L538-T542 WeakPolarHBondContact O-CB 3.42Å; L538-T542 VanDerWaalsContact O-CG2 3.22Å; L538-T542 WeakPolarHBondContact O-CG2 3.39Å; L538-T542 PolarHBondContact O-N 2.75Å; L538-T542 PolarHBondContact O-OG1 3.43Å
539G95.9Very high95.9Very high36 Ų3683.6 Ų83.637%0.37144%0.439SS..Hα-helixtrans-61.2-47.5177.300000112.9I535 P536 T542 S543I535-G539 PolarHBondContact O-N 3.36Å; P536-G539 PolarHBondContact O-N 2.89Å; G539-T542 PolarHBondContact O-OG1 2.75Å; G539-S543 VanDerWaalsContact O-CB 3.27Å; G539-S543 WeakPolarHBondContact O-CB 3.31Å; G539-S543 PolarHBondContact O-N 3.5Å; G539-S543 PolarHBondContact O-OG 3.37Å
540L96.2Very high96.1Very high118 Ų11884.2 Ų84.262%0.61844%0.44SS*.Hα-helixtrans-68.8-43.7179.6-69.5173.2000111.6P536 T542 S543 Q544P536-L540 WeakPolarHBondContact O-CB 3.34Å; P536-L540 VanDerWaalsContact O-CG 3.28Å; P536-L540 WeakPolarHBondContact O-CG 3.22Å; P536-L540 PolarHBondContact O-N 2.98Å; L540-T542 PolarHBondContact O-N 3.17Å; L540-S543 WeakPolarHBondContact CA-OG 3.31Å; L540-S543 PolarHBondContact O-N 3.35Å; L540-S543 PolarHBondContact O-OG 3.28Å; L540-Q544 WeakPolarHBondContact O-CB 3.03Å; L540-Q544 PolarHBondContact O-N 3.29Å
541L97.2Very high96.1Very high55 Ų5583.6 Ų83.629%0.28844%0.438SS..Hα-helixtrans-61.8-44.7176.6-78.9-179.3000112.7Y537 S543 Q544 N545Y537-L541 HydrophobicContact CD1-CD1 3.89Å; Y537-L541 HydrophobicContact CD2-CD1 4.06Å; Y537-L541 HydrophobicContact CD2-CG 4.31Å; Y537-L541 HydrophobicContact CE1-CD1 3.37Å; Y537-L541 HydrophobicContact CE2-CD1 3.55Å; Y537-L541 HydrophobicContact CE2-CG 4.05Å; Y537-L541 HydrophobicContact CG-CD1 4.23Å; Y537-L541 VanDerWaalsContact O-CB 3.31Å; Y537-L541 WeakPolarHBondContact O-CB 3.35Å; Y537-L541 VanDerWaalsContact O-CG 3.31Å; Y537-L541 WeakPolarHBondContact O-CG 3.47Å; Y537-L541 PolarHBondContact O-N 3.19Å; Y537-L541 WeakPolarHBondContact OH-CD1 3.49Å; L541-S543 VanDerWaalsContact C-N 3.34Å; L541-Q544 PolarHBondContact O-N 3.27Å; L541-N545 WeakPolarHBondContact O-CB 3.46Å; L541-N545 PolarHBondContact O-N 3Å; L541-N545 PolarHBondContact O-ND2 2.94Å
542T96.7Very high96.1Very high73 Ų7386.6 Ų86.645%0.44845%0.453SS..Hα-helixtrans-64.7-41176.752.30000110.8L538 G539 L540 Q544 L546 P547L538-T542 WeakPolarHBondContact O-CB 3.42Å; L538-T542 VanDerWaalsContact O-CG2 3.22Å; L538-T542 WeakPolarHBondContact O-CG2 3.39Å; L538-T542 PolarHBondContact O-N 2.75Å; L538-T542 PolarHBondContact O-OG1 3.43Å; G539-T542 PolarHBondContact O-OG1 2.75Å; L540-T542 PolarHBondContact O-N 3.17Å; T542-Q544 VanDerWaalsContact C-N 3.33Å; T542-Q544 PolarHBondContact O-N 3.49Å; T542-L546 WeakPolarHBondContact O-CB 2.79Å; T542-L546 PolarHBondContact O-N 2.84Å; T542-P547 WeakPolarHBondContact O-CD 3.34Å
543S97.1Very high96.2Very high56 Ų5687.2 Ų87.239%0.39246%0.458SS..Hα-helixtrans-66.3-29.4176.576.50000114.1G539 L540 L541 P547G539-S543 VanDerWaalsContact O-CB 3.27Å; G539-S543 WeakPolarHBondContact O-CB 3.31Å; G539-S543 PolarHBondContact O-N 3.5Å; G539-S543 PolarHBondContact O-OG 3.37Å; L540-S543 WeakPolarHBondContact CA-OG 3.31Å; L540-S543 PolarHBondContact O-N 3.35Å; L540-S543 PolarHBondContact O-OG 3.28Å; L541-S543 VanDerWaalsContact C-N 3.34Å; S543-P547 WeakPolarHBondContact O-CD 3.5Å; S543-P547 WeakPolarHBondContact O-CG 3.36Å
544Q96.8Very high96.2Very high100 Ų10081.8 Ų81.847%0.46745%0.445SS..Iπ-helixtrans-81.7-47.9176.5-175.8179.9000111.2L540 L541 T542 L548 L549L540-Q544 WeakPolarHBondContact O-CB 3.03Å; L540-Q544 PolarHBondContact O-N 3.29Å; L541-Q544 PolarHBondContact O-N 3.27Å; T542-Q544 VanDerWaalsContact C-N 3.33Å; T542-Q544 PolarHBondContact O-N 3.49Å; Q544-L548 WeakPolarHBondContact O-CB 3.17Å; Q544-L549 HydrophobicContact CG-CD1 4.11Å; Q544-L549 WeakPolarHBondContact O-CG 3.11Å; Q544-L549 PolarHBondContact O-N 3Å
545N96.6Very high96.2Very high80 Ų8085.2 Ų85.243%0.42845%0.451SS..Iπ-helixtrans-78-40.2-170.1-67.5-19.3000112.5L541 L550L541-N545 WeakPolarHBondContact O-CB 3.46Å; L541-N545 PolarHBondContact O-N 3Å; L541-N545 PolarHBondContact O-ND2 2.94Å; N545-L550 WeakPolarHBondContact O-CB 3.5Å; N545-L550 PolarHBondContact O-N 3.49Å; N545-L550 VanDerWaalsContact O-N 3.07Å
546L95.2Very high96.3Very high99 Ų9984.2 Ų84.252%0.51845%0.447SS..Iπ-helixtrans-84.5-64.7-174.6-66.8172.8000112.8T542 L550 L551T542-L546 WeakPolarHBondContact O-CB 2.79Å; T542-L546 PolarHBondContact O-N 2.84Å; L546-L550 WeakPolarHBondContact O-CB 3.4Å; L546-L551 WeakPolarHBondContact O-CG 3.42Å; L546-L551 PolarHBondContact O-N 3.37Å
547P96.1Very high96.3Very high53 Ų5384.8 Ų84.834%0.34444%0.444SS..Iπ-helixtrans-75.2-48.9-176.429.9-31.2000111.9T542 S543 L551 D552T542-P547 WeakPolarHBondContact O-CD 3.34Å; S543-P547 WeakPolarHBondContact O-CD 3.5Å; S543-P547 WeakPolarHBondContact O-CG 3.36Å; P547-L551 WeakPolarHBondContact O-CB 3.43Å; P547-L551 PolarHBondContact O-N 3Å; P547-D552 WeakPolarHBondContact O-CB 3.33Å; P547-D552 PolarHBondContact O-N 2.9Å
548L95.9Very high96.2Very high84 Ų8484.4 Ų84.444%0.4445%0.445SS..Iπ-helixtrans-71.2-60.1-174.4-177.372.7000113Q544 L553Q544-L548 WeakPolarHBondContact O-CB 3.17Å; L548-L553 HydrophobicContact CD1-CD1 4.33Å; L548-L553 HydrophobicContact CG-CD1 4.1Å; L548-L553 WeakPolarHBondContact O-CB 3.39Å; L548-L553 WeakPolarHBondContact O-CG 3.34Å; L548-L553 PolarHBondContact O-N 3.07Å
549L96.6Very high96.2Very high75 Ų7583.9 Ų83.939%0.39344%0.443SS..Iπ-helixtrans-76.3-48.7-173.4-70.6172.2000112.3Q544 L553 T554Q544-L549 HydrophobicContact CG-CD1 4.11Å; Q544-L549 WeakPolarHBondContact O-CG 3.11Å; Q544-L549 PolarHBondContact O-N 3Å; L549-L553 HydrophobicContact CD2-CD1 4.09Å; L549-T554 VanDerWaalsContact O-CG2 3.3Å; L549-T554 WeakPolarHBondContact O-CG2 3.39Å; L549-T554 PolarHBondContact O-N 2.8Å; L549-T554 PolarHBondContact O-OG1 2.93Å
550L96.8Very high96.2Very high73 Ų7387.4 Ų87.438%0.38245%0.452SS..Iπ-helixtrans-80.5-51.6-174.4-170.2150000111.8N545 L546 T554 W555N545-L550 WeakPolarHBondContact O-CB 3.5Å; N545-L550 PolarHBondContact O-N 3.49Å; N545-L550 VanDerWaalsContact O-N 3.07Å; L546-L550 WeakPolarHBondContact O-CB 3.4Å; L550-T554 WeakPolarHBondContact CA-OG1 3.41Å; L550-T554 PolarHBondContact O-OG1 3.34Å; L550-W555 HydrophobicContact CD2-CG 4.48Å; L550-W555 WeakPolarHBondContact O-CB 3.17Å; L550-W555 PolarHBondContact O-N 3.26Å
551L96.4Very high96.2Very high86 Ų8685.3 Ų85.345%0.4545%0.446SS..Iπ-helixtrans-77.3-63.5-177.8-66.9173000112.2L546 P547 W555 L556L546-L551 WeakPolarHBondContact O-CG 3.42Å; L546-L551 PolarHBondContact O-N 3.37Å; P547-L551 WeakPolarHBondContact O-CB 3.43Å; P547-L551 PolarHBondContact O-N 3Å; L551-W555 PolarHBondContact O-N 2.7Å; L551-L556 WeakPolarHBondContact O-CB 3.45Å; L551-L556 WeakPolarHBondContact O-CG 3.01Å; L551-L556 PolarHBondContact O-N 2.84Å
552D95.6Very high96.1Very high82 Ų8287.7 Ų87.744%0.43945%0.454SS..Iπ-helixtrans-71.6-52.7-166.5-65.2-17.1000112.3P547P547-D552 WeakPolarHBondContact O-CB 3.33Å; P547-D552 PolarHBondContact O-N 2.9Å
553L95.5Very high96.1Very high78 Ų7886.3 Ų86.341%0.40845%0.446SS..Iπ-helixtrans-79.8-25.7-174.6-69.3171.7000114.1L548 L549 E557L548-L553 HydrophobicContact CD1-CD1 4.33Å; L548-L553 HydrophobicContact CG-CD1 4.1Å; L548-L553 WeakPolarHBondContact O-CB 3.39Å; L548-L553 WeakPolarHBondContact O-CG 3.34Å; L548-L553 PolarHBondContact O-N 3.07Å; L549-L553 HydrophobicContact CD2-CD1 4.09Å; L553-E557 VanDerWaalsContact O-CD 3.3Å
554T95.8Very high96.1Very high74 Ų7487.8 Ų87.845%0.45445%0.448SS..Iπ-helixtrans-113.1-61.1-176.758.60000113.5L549 L550 K558L549-T554 VanDerWaalsContact O-CG2 3.3Å; L549-T554 WeakPolarHBondContact O-CG2 3.39Å; L549-T554 PolarHBondContact O-N 2.8Å; L549-T554 PolarHBondContact O-OG1 2.93Å; L550-T554 WeakPolarHBondContact CA-OG1 3.41Å; L550-T554 PolarHBondContact O-OG1 3.34Å; T554-K558 WeakPolarHBondContact O-CB 3.19Å; T554-K558 PolarHBondContact O-N 2.73Å
555W96.6Very high96.1Very high136 Ų13685.4 Ų85.452%0.51544%0.443SS..Iπ-helixtrans-70.2-49.6-174.2-84.2100.3000113.1L550 L551 E557 K558 L559L550-W555 HydrophobicContact CD2-CG 4.48Å; L550-W555 WeakPolarHBondContact O-CB 3.17Å; L550-W555 PolarHBondContact O-N 3.26Å; L551-W555 PolarHBondContact O-N 2.7Å; W555-E557 PolarHBondContact O-N 3.48Å; W555-K558 PolarHBondContact O-N 3.37Å; W555-L559 HydrophobicContact CB-CD1 4.49Å; W555-L559 HydrophobicContact CE3-CD1 3.86Å; W555-L559 HydrophobicContact CE3-CD2 4.14Å; W555-L559 HydrophobicContact CE3-CG 3.88Å; W555-L559 HydrophobicContact CZ3-CD2 4.2Å; W555-L559 HydrophobicContact CZ3-CG 4.45Å; W555-L559 WeakPolarHBondContact O-CB 3.33Å; W555-L559 WeakPolarHBondContact O-CG 3.3Å; W555-L559 PolarHBondContact O-N 3.29Å
556L96.9Very high96Very high90 Ų9088.1 Ų88.147%0.47145%0.453SS..Iπ-helixtrans-63.5-43.1-179.7-71.2-179.8000111.3L551 L560 P561L551-L556 WeakPolarHBondContact O-CB 3.45Å; L551-L556 WeakPolarHBondContact O-CG 3.01Å; L551-L556 PolarHBondContact O-N 2.84Å; L556-L560 PolarHBondContact O-N 2.88Å; L556-P561 WeakPolarHBondContact O-CD 3.2Å
557E95.5Very high96Very high74 Ų7489.5 Ų89.535%0.34646%0.456SS..Hα-helixtrans-65-40174-75.6-168.7-173.200113.4L553 W555 P561 K562L553-E557 VanDerWaalsContact O-CD 3.3Å; W555-E557 PolarHBondContact O-N 3.48Å; E557-P561 WeakPolarHBondContact O-CD 3.2Å; E557-P561 WeakPolarHBondContact O-CG 3.17Å; E557-K562 WeakPolarHBondContact O-CB 3.4Å; E557-K562 WeakPolarHBondContact O-CG 3.41Å; E557-K562 PolarHBondContact O-N 3.26Å; E557-K562 VanDerWaalsContact O-N 3.07Å; E557-K562 IonicContact OE2-NZ 2.89Å; E557-K562 PolarHBondContact OE2-NZ 3.27Å
558K95.4Very high95.9Very high143 Ų14392.9 Ų92.962%0.62247%0.467SS*.Iπ-helixtrans-73-42.4-177.9-169.3174-177.7-179.40111.2T554 W555 T563T554-K558 WeakPolarHBondContact O-CB 3.19Å; T554-K558 PolarHBondContact O-N 2.73Å; W555-K558 PolarHBondContact O-N 3.37Å; K558-T563 WeakPolarHBondContact O-CG2 3.02Å; K558-T563 PolarHBondContact O-N 2.83Å
559L96.4Very high95.8Very high97 Ų9793.4 Ų93.451%0.50847%0.47SS..Iπ-helixtrans-69.2-34.2-173.7-77.2171.3000113.9W555 T563W555-L559 HydrophobicContact CB-CD1 4.49Å; W555-L559 HydrophobicContact CE3-CD1 3.86Å; W555-L559 HydrophobicContact CE3-CD2 4.14Å; W555-L559 HydrophobicContact CE3-CG 3.88Å; W555-L559 HydrophobicContact CZ3-CD2 4.2Å; W555-L559 HydrophobicContact CZ3-CG 4.45Å; W555-L559 WeakPolarHBondContact O-CB 3.33Å; W555-L559 WeakPolarHBondContact O-CG 3.3Å; W555-L559 PolarHBondContact O-N 3.29Å; L559-T563 PolarHBondContact O-OG1 3.26Å
560L95.9Very high95.7Very high109 Ų10992 Ų9257%0.57147%0.466SS*.Iπ-helixtrans-111.8-75.8-173.6-71.3171.4000112.7L556 K562 T563 I564L556-L560 PolarHBondContact O-N 2.88Å; L560-K562 PolarHBondContact O-N 3.01Å; L560-T563 PolarHBondContact O-OG1 2.95Å; L560-I564 VanDerWaalsContact O-CB 3.29Å; L560-I564 WeakPolarHBondContact O-CB 3.12Å; L560-I564 WeakPolarHBondContact O-CD1 3.39Å; L560-I564 WeakPolarHBondContact O-CG1 3.29Å; L560-I564 PolarHBondContact O-N 3.45Å
561P95.8Very high95.4Very high75 Ų7592.3 Ų92.349%0.48747%0.471SS..Iπ-helixtrans-67.5-41.2-171.124.7-32.1000112.4L556 E557 S565L556-P561 WeakPolarHBondContact O-CD 3.2Å; E557-P561 WeakPolarHBondContact O-CD 3.2Å; E557-P561 WeakPolarHBondContact O-CG 3.17Å; P561-S565 VanDerWaalsContact O-CB 3.29Å; P561-S565 WeakPolarHBondContact O-CB 3.49Å; P561-S565 PolarHBondContact O-N 3.07Å; P561-S565 PolarHBondContact O-OG 2.89Å
562K95.1Very high95.3Very high104 Ų10490.9 Ų90.945%0.45247%0.469SS..Iπ-helixtrans-71-44.6-177.9-70176.1-177.21550112.1E557 L560 S565 Q566E557-K562 WeakPolarHBondContact O-CB 3.4Å; E557-K562 WeakPolarHBondContact O-CG 3.41Å; E557-K562 PolarHBondContact O-N 3.26Å; E557-K562 VanDerWaalsContact O-N 3.07Å; E557-K562 IonicContact OE2-NZ 2.89Å; E557-K562 PolarHBondContact OE2-NZ 3.27Å; L560-K562 PolarHBondContact O-N 3.01Å; K562-S565 WeakPolarHBondContact CA-OG 3.29Å; K562-S565 PolarHBondContact O-N 2.61Å; K562-S565 PolarHBondContact O-OG 3.13Å; K562-Q566 VanDerWaalsContact O-CB 3.27Å; K562-Q566 WeakPolarHBondContact O-CB 3.43Å; K562-Q566 PolarHBondContact O-N 2.85Å
563T96.6Very high95.2Very high44 Ų4491.4 Ų91.427%0.2747%0.47SS..Hα-helixtrans-61.3-45.3174.748.60000111.7K558 L559 L560 S565 Q566 H567K558-T563 WeakPolarHBondContact O-CG2 3.02Å; K558-T563 PolarHBondContact O-N 2.83Å; L559-T563 PolarHBondContact O-OG1 3.26Å; L560-T563 PolarHBondContact O-OG1 2.95Å; T563-S565 PolarHBondContact O-N 3.5Å; T563-Q566 PolarHBondContact O-N 2.85Å; T563-H567 WeakPolarHBondContact O-CB 3.27Å; T563-H567 PolarHBondContact O-CD2 2.8Å; T563-H567 PolarHBondContact O-N 3.37Å
564I96.6Very high94.9Very high87 Ų8793.5 Ų93.545%0.44648%0.481SS..Hα-helixtrans-61.2-47.8177.1-67.9166.9000109.9L560 Q566 H567 Q568L560-I564 VanDerWaalsContact O-CB 3.29Å; L560-I564 WeakPolarHBondContact O-CB 3.12Å; L560-I564 WeakPolarHBondContact O-CD1 3.39Å; L560-I564 WeakPolarHBondContact O-CG1 3.29Å; L560-I564 PolarHBondContact O-N 3.45Å; I564-Q566 VanDerWaalsContact C-N 3.31Å; I564-Q566 PolarHBondContact O-N 2.85Å; I564-H567 PolarHBondContact O-N 3.29Å; I564-Q568 HydrophobicContact CG2-CG 4.37Å; I564-Q568 WeakPolarHBondContact O-CB 3.36Å; I564-Q568 WeakPolarHBondContact O-CG 3.26Å; I564-Q568 PolarHBondContact O-N 3.39Å
565S96.8Very high94.6Very high50 Ų5094.6 Ų94.635%0.3549%0.487SS..Hα-helixtrans-61.2-40.4177.973.70000111.9P561 K562 T563 Q568 I569P561-S565 VanDerWaalsContact O-CB 3.29Å; P561-S565 WeakPolarHBondContact O-CB 3.49Å; P561-S565 PolarHBondContact O-N 3.07Å; P561-S565 PolarHBondContact O-OG 2.89Å; K562-S565 WeakPolarHBondContact CA-OG 3.29Å; K562-S565 PolarHBondContact O-N 2.61Å; K562-S565 PolarHBondContact O-OG 3.13Å; T563-S565 PolarHBondContact O-N 3.5Å; S565-Q568 PolarHBondContact O-N 2.96Å; S565-I569 VanDerWaalsContact O-CB 3.31Å; S565-I569 WeakPolarHBondContact O-CB 3.45Å; S565-I569 WeakPolarHBondContact O-CD1 3.15Å; S565-I569 WeakPolarHBondContact O-CG1 3.4Å; S565-I569 PolarHBondContact O-N 3.34Å
566Q95.1Very high94.1Very high138 Ų13892.2 Ų92.265%0.64549%0.491SS*.Hα-helixtrans-69-39179.4-172173.71.900111.5K562 T563 I564 S570K562-Q566 VanDerWaalsContact O-CB 3.27Å; K562-Q566 WeakPolarHBondContact O-CB 3.43Å; K562-Q566 PolarHBondContact O-N 2.85Å; T563-Q566 PolarHBondContact O-N 2.85Å; I564-Q566 VanDerWaalsContact C-N 3.31Å; I564-Q566 PolarHBondContact O-N 2.85Å; Q566-S570 VanDerWaalsContact O-CB 3.31Å; Q566-S570 WeakPolarHBondContact O-CB 3.31Å; Q566-S570 PolarHBondContact O-N 2.8Å; Q566-S570 PolarHBondContact O-OG 3.32Å
567H94.3Very high93.6Very high127 Ų12792.3 Ų92.359%0.58850%0.496SS*.Hα-helixtrans-65.8-41.9172.5-77.8-57000111.9T563 I564 S570 T571T563-H567 WeakPolarHBondContact O-CB 3.27Å; T563-H567 PolarHBondContact O-CD2 2.8Å; T563-H567 PolarHBondContact O-N 3.37Å; I564-H567 PolarHBondContact O-N 3.29Å; H567-S570 WeakPolarHBondContact CA-OG 3.24Å; H567-S570 PolarHBondContact O-OG 3.48Å; H567-T571 WeakPolarHBondContact O-CB 3.37Å; H567-T571 VanDerWaalsContact O-CG2 3.26Å; H567-T571 WeakPolarHBondContact O-CG2 3.47Å; H567-T571 PolarHBondContact O-N 2.86Å; H567-T571 PolarHBondContact O-OG1 3.28Å
568Q94.3Very high92.9Very high124 Ų12494 Ų9458%0.57950%0.504SS*.Hα-helixtrans-66.1-42.9175.9-74-179.1-13.400112.1I564 S565 T571 S572I564-Q568 HydrophobicContact CG2-CG 4.37Å; I564-Q568 WeakPolarHBondContact O-CB 3.36Å; I564-Q568 WeakPolarHBondContact O-CG 3.26Å; I564-Q568 PolarHBondContact O-N 3.39Å; S565-Q568 PolarHBondContact O-N 2.96Å; Q568-T571 WeakPolarHBondContact CA-OG1 3.25Å; Q568-T571 PolarHBondContact O-OG1 3.01Å; Q568-S572 VanDerWaalsContact O-CB 3.25Å; Q568-S572 WeakPolarHBondContact O-CB 3.37Å; Q568-S572 PolarHBondContact O-N 2.78Å; Q568-S572 PolarHBondContact O-OG 2.92Å
569I93.9Very high92.4Very high95 Ų9595.2 Ų95.249%0.48751%0.509SS..Hα-helixtrans-64.1-48.9176.8-70163.5000109.9S565 T571 S572 I573S565-I569 VanDerWaalsContact O-CB 3.31Å; S565-I569 WeakPolarHBondContact O-CB 3.45Å; S565-I569 WeakPolarHBondContact O-CD1 3.15Å; S565-I569 WeakPolarHBondContact O-CG1 3.4Å; S565-I569 PolarHBondContact O-N 3.34Å; I569-T571 PolarHBondContact O-N 3.21Å; I569-S572 WeakPolarHBondContact CA-OG 3.39Å; I569-S572 PolarHBondContact O-N 2.73Å; I569-S572 PolarHBondContact O-OG 2.77Å; I569-I573 HydrophobicContact CG2-CD1 3.6Å; I569-I573 HydrophobicContact CG2-CG1 4.33Å; I569-I573 VanDerWaalsContact O-CG1 3.25Å; I569-I573 WeakPolarHBondContact O-CG1 3.31Å; I569-I573 PolarHBondContact O-N 2.88Å
570S93.7Very high91.8Very high46 Ų4693.1 Ų93.132%0.32251%0.511SS..Hα-helixtrans-62.2-43.817953.60000112.6Q566 H567 I573 I574Q566-S570 VanDerWaalsContact O-CB 3.31Å; Q566-S570 WeakPolarHBondContact O-CB 3.31Å; Q566-S570 PolarHBondContact O-N 2.8Å; Q566-S570 PolarHBondContact O-OG 3.32Å; H567-S570 WeakPolarHBondContact CA-OG 3.24Å; H567-S570 PolarHBondContact O-OG 3.48Å; S570-I573 PolarHBondContact O-N 3.26Å; S570-I574 WeakPolarHBondContact O-CD1 3.44Å; S570-I574 VanDerWaalsContact O-CG1 3.24Å; S570-I574 WeakPolarHBondContact O-CG1 3.37Å; S570-I574 PolarHBondContact O-N 2.96Å
571T92.4Very high91.4Very high80 Ų8092.7 Ų92.749%0.49151%0.507SS..Hα-helixtrans-63-42.9174.7510000111.6H567 Q568 I569 I573 I574 T575H567-T571 WeakPolarHBondContact O-CB 3.37Å; H567-T571 VanDerWaalsContact O-CG2 3.26Å; H567-T571 WeakPolarHBondContact O-CG2 3.47Å; H567-T571 PolarHBondContact O-N 2.86Å; H567-T571 PolarHBondContact O-OG1 3.28Å; Q568-T571 WeakPolarHBondContact CA-OG1 3.25Å; Q568-T571 PolarHBondContact O-OG1 3.01Å; I569-T571 PolarHBondContact O-N 3.21Å; T571-I573 PolarHBondContact O-N 3.47Å; T571-I574 PolarHBondContact O-N 3.03Å; T571-T575 WeakPolarHBondContact O-CG2 3.25Å; T571-T575 PolarHBondContact O-N 3.42Å; T571-T575 PolarHBondContact O-OG1 2.91Å
572S94Very high91Very high56 Ų5694.9 Ų94.939%0.39251%0.513SS..Hα-helixtrans-59.9-47.5176.474.60000111.8Q568 I569 I574 T575 S576Q568-S572 VanDerWaalsContact O-CB 3.25Å; Q568-S572 WeakPolarHBondContact O-CB 3.37Å; Q568-S572 PolarHBondContact O-N 2.78Å; Q568-S572 PolarHBondContact O-OG 2.92Å; I569-S572 WeakPolarHBondContact CA-OG 3.39Å; I569-S572 PolarHBondContact O-N 2.73Å; I569-S572 PolarHBondContact O-OG 2.77Å; S572-I574 PolarHBondContact O-N 2.84Å; S572-T575 PolarHBondContact O-N 3.47Å; S572-T575 PolarHBondContact O-OG1 3.21Å; S572-S576 WeakPolarHBondContact O-CB 3.1Å; S572-S576 PolarHBondContact O-N 2.95Å; S572-S576 PolarHBondContact O-OG 2.91Å; S572-S576 VanDerWaalsContact O-OG 3.06Å
573I92.1Very high90.7Very high93 Ų9398 Ų9848%0.47753%0.527SS..Hα-helixtrans-60.1-44.9178.2-67.8165.4000110.8I569 S570 T571 T575 S576 T577I569-I573 HydrophobicContact CG2-CD1 3.6Å; I569-I573 HydrophobicContact CG2-CG1 4.33Å; I569-I573 VanDerWaalsContact O-CG1 3.25Å; I569-I573 WeakPolarHBondContact O-CG1 3.31Å; I569-I573 PolarHBondContact O-N 2.88Å; S570-I573 PolarHBondContact O-N 3.26Å; T571-I573 PolarHBondContact O-N 3.47Å; I573-T575 VanDerWaalsContact C-N 3.33Å; I573-T575 PolarHBondContact O-N 3.06Å; I573-S576 PolarHBondContact O-N 3.17Å; I573-S576 PolarHBondContact O-OG 3.19Å; I573-T577 HydrophobicContact CG2-CG2 4.18Å; I573-T577 WeakPolarHBondContact O-CB 3.44Å; I573-T577 WeakPolarHBondContact O-CG2 3.42Å; I573-T577 PolarHBondContact O-N 3.47Å; I573-T577 PolarHBondContact O-OG1 2.86Å
574I90Very high90.2Very high121 Ų121100.1 Ų100.162%0.62154%0.536SS*.Hα-helixtrans-62-42.6178.1-67164000110.7S570 T571 S572 T577S570-I574 WeakPolarHBondContact O-CD1 3.44Å; S570-I574 VanDerWaalsContact O-CG1 3.24Å; S570-I574 WeakPolarHBondContact O-CG1 3.37Å; S570-I574 PolarHBondContact O-N 2.96Å; T571-I574 PolarHBondContact O-N 3.03Å; S572-I574 PolarHBondContact O-N 2.84Å; I574-T577 PolarHBondContact O-OG1 3.45Å
575T88.4Confident89.7Confident97 Ų97100.3 Ų100.360%0.59553%0.532SS*.Hα-helixtrans-71.6-37.8179.858.90000113.6T571 S572 I573T571-T575 WeakPolarHBondContact O-CG2 3.25Å; T571-T575 PolarHBondContact O-N 3.42Å; T571-T575 PolarHBondContact O-OG1 2.91Å; S572-T575 PolarHBondContact O-N 3.47Å; S572-T575 PolarHBondContact O-OG1 3.21Å; I573-T575 VanDerWaalsContact C-N 3.33Å; I573-T575 PolarHBondContact O-N 3.06Å
576S86.5Confident89.2Confident86 Ų86104.9 Ų104.960%0.60155%0.546SS*.Hα-helixtrans-82.8-14.2-174.165.70000114.4S572 I573 Q578S572-S576 WeakPolarHBondContact O-CB 3.1Å; S572-S576 PolarHBondContact O-N 2.95Å; S572-S576 PolarHBondContact O-OG 2.91Å; S572-S576 VanDerWaalsContact O-OG 3.06Å; I573-S576 PolarHBondContact O-N 3.17Å; I573-S576 PolarHBondContact O-OG 3.19Å; S576-Q578 PolarHBondContact O-N 3.41Å
577T85.9Confident88.8Confident92 Ų92102.4 Ų102.456%0.56454%0.536SS*.  trans-78.139.1-177.9490000113.6I573 I574I573-T577 HydrophobicContact CG2-CG2 4.18Å; I573-T577 WeakPolarHBondContact O-CB 3.44Å; I573-T577 WeakPolarHBondContact O-CG2 3.42Å; I573-T577 PolarHBondContact O-N 3.47Å; I573-T577 PolarHBondContact O-OG1 2.86Å; I574-T577 PolarHBondContact O-OG1 3.45Å
578Q82.6Confident88.4Confident111 Ų11199.3 Ų99.352%0.51953%0.529SS..  trans-81.9129.8174.4-59.8-61.6-27.600110.8S576 G580 Y585S576-Q578 PolarHBondContact O-N 3.41Å; Q578-G580 VanDerWaalsContact C-N 3.26Å; Q578-G580 PolarHBondContact O-N 3.18Å; Q578-Y585 HydrophobicContact CB-CE1 4.35Å; Q578-Y585 WeakPolarHBondContact CB-OH 3.4Å; Q578-Y585 HydrophobicContact CG-CE1 4.46Å
579K83.5Confident88Confident168 Ų168100.4 Ų100.473%0.7353%0.532SS*.  trans-81.77.7-174.4-63-177.6-178.6177.40114.8M581K579-M581 HydrophobicContact CB-CE 3.96Å; K579-M581 HydrophobicContact CB-CG 4.29Å; K579-M581 HydrophobicContact CD-CE 3.88Å; K579-M581 PolarHBondContact O-N 3.26Å
580G83.4Confident87.5Confident52 Ų52102.6 Ų102.654%0.53654%0.539SS..  trans68.310.6179.700000115.7Q578 I582Q578-G580 VanDerWaalsContact C-N 3.26Å; Q578-G580 PolarHBondContact O-N 3.18Å; G580-I582 PolarHBondContact O-N 3.44Å
581M88.5Confident87Confident100 Ų100106.8 Ų106.849%0.49355%0.551SS.*  trans-82.5115.2-177.3-59.7-174.2-158.500111.6K579 K583 L584 Y585K579-M581 HydrophobicContact CB-CE 3.96Å; K579-M581 HydrophobicContact CB-CG 4.29Å; K579-M581 HydrophobicContact CD-CE 3.88Å; K579-M581 PolarHBondContact O-N 3.26Å; M581-K583 PolarHBondContact O-N 2.99Å; M581-K583 VanDerWaalsContact O-N 3.13Å; M581-L584 HydrophobicContact CB-CD1 4.2Å; M581-L584 HydrophobicContact CB-CG 4.32Å; M581-L584 PolarHBondContact O-N 3.13Å; M581-L584 HydrophobicContact SD-CD1 4.25Å; M581-Y585 WeakPolarHBondContact O-CD2 3.29Å; M581-Y585 PolarHBondContact O-N 3.41Å
582I86.8Confident86.6Confident121 Ų121106 Ų10662%0.62155%0.548SS*.Hα-helixtrans-52.3-38.1-179.6-62.9169.3000112.6G580 L584 Y585 F586G580-I582 PolarHBondContact O-N 3.44Å; I582-L584 VanDerWaalsContact C-N 3.33Å; I582-L584 PolarHBondContact O-N 3.22Å; I582-Y585 PolarHBondContact O-N 3.11Å; I582-F586 HydrophobicContact CG2-CD2 3.55Å; I582-F586 HydrophobicContact CG2-CE2 3.3Å; I582-F586 HydrophobicContact CG2-CZ 4.44Å; I582-F586 WeakPolarHBondContact O-CD2 3.47Å; I582-F586 PolarHBondContact O-N 3.37Å; I582-F586 VanDerWaalsContact O-N 3.09Å
583K88.9Confident86Confident171 Ų171108.4 Ų108.474%0.74356%0.555SS**Hα-helixtrans-57.3-42.4177.4-176.6178.7178.8179.80112.7M581 L587M581-K583 PolarHBondContact O-N 2.99Å; M581-K583 VanDerWaalsContact O-N 3.13Å; K583-L587 WeakPolarHBondContact O-CB 3.41Å; K583-L587 PolarHBondContact O-N 2.81Å
584L87.1Confident85.6Confident88 Ų88107.5 Ų107.546%0.46155%0.551SS.*Hα-helixtrans-71.3-35.5-178.9-67.5174.7000111.2M581 I582 L587 S588M581-L584 HydrophobicContact CB-CD1 4.2Å; M581-L584 HydrophobicContact CB-CG 4.32Å; M581-L584 PolarHBondContact O-N 3.13Å; M581-L584 HydrophobicContact SD-CD1 4.25Å; I582-L584 VanDerWaalsContact C-N 3.33Å; I582-L584 PolarHBondContact O-N 3.22Å; L584-L587 PolarHBondContact O-N 3.4Å; L584-S588 PolarHBondContact O-N 3.3Å; L584-S588 PolarHBondContact O-OG 3.46Å
585Y86.3Confident85.2Confident91 Ų91106.4 Ų106.436%0.35755%0.546SS..Hα-helixtrans-66.6-42.2176.5-65.8-54.3000112.9Q578 M581 I582 L587 S588 F589Q578-Y585 HydrophobicContact CB-CE1 4.35Å; Q578-Y585 WeakPolarHBondContact CB-OH 3.4Å; Q578-Y585 HydrophobicContact CG-CE1 4.46Å; M581-Y585 WeakPolarHBondContact O-CD2 3.29Å; M581-Y585 PolarHBondContact O-N 3.41Å; I582-Y585 PolarHBondContact O-N 3.11Å; Y585-L587 VanDerWaalsContact C-N 3.32Å; Y585-L587 PolarHBondContact O-N 2.91Å; Y585-S588 WeakPolarHBondContact CA-OG 2.86Å; Y585-S588 PolarHBondContact O-N 3.37Å; Y585-S588 PolarHBondContact O-OG 3.2Å; Y585-F589 WeakPolarHBondContact O-CD2 3.45Å; Y585-F589 PolarHBondContact O-N 3.09Å; Y585-F589 VanDerWaalsContact O-N 3.11Å
586F85.3Confident85Confident146 Ų146105 Ų10564%0.6454%0.537SS*.Hα-helixtrans-64-39.2174.5-79-61.1000112.2I582 S588 F589 F590I582-F586 HydrophobicContact CG2-CD2 3.55Å; I582-F586 HydrophobicContact CG2-CE2 3.3Å; I582-F586 HydrophobicContact CG2-CZ 4.44Å; I582-F586 WeakPolarHBondContact O-CD2 3.47Å; I582-F586 PolarHBondContact O-N 3.37Å; I582-F586 VanDerWaalsContact O-N 3.09Å; F586-S588 VanDerWaalsContact C-N 3.34Å; F586-F589 PolarHBondContact O-N 3.23Å; F586-F590 PolarHBondContact O-N 3.48Å
587L86.5Confident84.7Confident85 Ų85106 Ų10645%0.44554%0.535SS..Hα-helixtrans-65.2-38.9176.8-144.8160.1000111.1K583 L584 Y585 F589 F590 F591K583-L587 WeakPolarHBondContact O-CB 3.41Å; K583-L587 PolarHBondContact O-N 2.81Å; L584-L587 PolarHBondContact O-N 3.4Å; Y585-L587 VanDerWaalsContact C-N 3.32Å; Y585-L587 PolarHBondContact O-N 2.91Å; L587-F589 VanDerWaalsContact C-N 3.31Å; L587-F589 PolarHBondContact O-N 3.36Å; L587-F590 PolarHBondContact O-N 2.9Å; L587-F591 HydrophobicContact CD2-CD2 3.67Å; L587-F591 HydrophobicContact CD2-CE2 3.24Å; L587-F591 HydrophobicContact CD2-CZ 4.27Å; L587-F591 WeakPolarHBondContact O-CD2 3.3Å; L587-F591 PolarHBondContact O-N 2.93Å
588S86.4Confident84.4Confident63 Ų63107.2 Ų107.244%0.44154%0.537SS..Hα-helixtrans-69.1-21.4174.564.60000114.4L584 Y585 F586 P592L584-S588 PolarHBondContact O-N 3.3Å; L584-S588 PolarHBondContact O-OG 3.46Å; Y585-S588 WeakPolarHBondContact CA-OG 2.86Å; Y585-S588 PolarHBondContact O-N 3.37Å; Y585-S588 PolarHBondContact O-OG 3.2Å; F586-S588 VanDerWaalsContact C-N 3.34Å; S588-P592 WeakPolarHBondContact O-CD 3.39Å; S588-P592 VanDerWaalsContact O-CG 3.3Å; S588-P592 WeakPolarHBondContact O-CG 3.4Å
589F84.6Confident84.2Confident147 Ų147108.2 Ų108.265%0.64555%0.546SS*.Hα-helixtrans-80.3-30.6172.1-76.5-57.6000112.9Y585 F586 L587 P592Y585-F589 WeakPolarHBondContact O-CD2 3.45Å; Y585-F589 PolarHBondContact O-N 3.09Å; Y585-F589 VanDerWaalsContact O-N 3.11Å; F586-F589 PolarHBondContact O-N 3.23Å; L587-F589 VanDerWaalsContact C-N 3.31Å; L587-F589 PolarHBondContact O-N 3.36Å; F589-P592 WeakPolarHBondContact O-CD 3.13Å; F589-P592 WeakPolarHBondContact O-CG 3.14Å
590F85.3Confident83.4Confident141 Ų141107.2 Ų107.262%0.61855%0.547SS*.Hα-helixtrans-71.1-38.4-178.7-152.8-101.7000112.4F586 L587 L593 I594F586-F590 PolarHBondContact O-N 3.48Å; L587-F590 PolarHBondContact O-N 2.9Å; F590-L593 PolarHBondContact O-N 3.33Å; F590-I594 HydrophobicContact CD1-CD1 3.43Å; F590-I594 VanDerWaalsContact CD1-CD1 3.43Å; F590-I594 HydrophobicContact CD1-CG1 4.12Å; F590-I594 HydrophobicContact CE1-CD1 3.55Å; F590-I594 HydrophobicContact CE1-CG1 4.12Å; F590-I594 PolarHBondContact O-N 3.44Å; F590-I594 VanDerWaalsContact O-N 3.1Å
591F83.3Confident82Confident133 Ų133112 Ų11258%0.58357%0.566SS**Hα-helixtrans-58-54.6178.7-88.8-64.4000114.9L587 L593 I594 L595L587-F591 HydrophobicContact CD2-CD2 3.67Å; L587-F591 HydrophobicContact CD2-CE2 3.24Å; L587-F591 HydrophobicContact CD2-CZ 4.27Å; L587-F591 WeakPolarHBondContact O-CD2 3.3Å; L587-F591 PolarHBondContact O-N 2.93Å; F591-L593 PolarHBondContact O-N 3.47Å; F591-I594 PolarHBondContact O-N 3.5Å; F591-L595 WeakPolarHBondContact O-CB 3.17Å; F591-L595 PolarHBondContact O-N 3.02Å
592P82.6Confident81.7Confident65 Ų65112.6 Ų112.642%0.42257%0.569SS.*Hα-helixtrans-63.8-30.1178.422.3-30.5000111.8S588 F589 L595 T596S588-P592 WeakPolarHBondContact O-CD 3.39Å; S588-P592 VanDerWaalsContact O-CG 3.3Å; S588-P592 WeakPolarHBondContact O-CG 3.4Å; F589-P592 WeakPolarHBondContact O-CD 3.13Å; F589-P592 WeakPolarHBondContact O-CG 3.14Å; P592-L595 CarbonylContact O-C 3.59Å; P592-L595 PolarHBondContact O-N 3.27Å; P592-T596 WeakPolarHBondContact O-CB 3.48Å; P592-T596 VanDerWaalsContact O-CG2 3.29Å; P592-T596 WeakPolarHBondContact O-CG2 3.32Å; P592-T596 PolarHBondContact O-N 3Å; P592-T596 PolarHBondContact O-OG1 3.24Å
593L81.9Confident81.4Confident105 Ų105112.1 Ų112.155%0.5557%0.567SS.*Hα-helixtrans-65.8-44.6177.4-138.7153.1000111.5F590 F591 L595 T596 L597F590-L593 PolarHBondContact O-N 3.33Å; F591-L593 PolarHBondContact O-N 3.47Å; L593-L595 VanDerWaalsContact C-N 3.35Å; L593-T596 WeakPolarHBondContact CA-OG1 3.4Å; L593-T596 PolarHBondContact O-N 3.5Å; L593-T596 PolarHBondContact O-OG1 2.93Å; L593-L597 HydrophobicContact CD2-CD1 4.01Å; L593-L597 PolarHBondContact O-N 3.1Å
594I83.6Confident81Confident74 Ų74108.8 Ų108.838%0.37956%0.557SS.*Hα-helixtrans-61.7-44.1170.6-66.5164000110.8F590 F591 T596 L597 L598F590-I594 HydrophobicContact CD1-CD1 3.43Å; F590-I594 VanDerWaalsContact CD1-CD1 3.43Å; F590-I594 HydrophobicContact CD1-CG1 4.12Å; F590-I594 HydrophobicContact CE1-CD1 3.55Å; F590-I594 HydrophobicContact CE1-CG1 4.12Å; F590-I594 PolarHBondContact O-N 3.44Å; F590-I594 VanDerWaalsContact O-N 3.1Å; F591-I594 PolarHBondContact O-N 3.5Å; I594-T596 PolarHBondContact O-N 2.75Å; I594-L597 PolarHBondContact O-N 3.31Å; I594-L598 HydrophobicContact CG2-CD1 3.83Å; I594-L598 PolarHBondContact O-N 3.32Å
595L81.8Confident80.6Confident99 Ų99110.1 Ų110.152%0.51856%0.562SS.*Hα-helixtrans-66.4-37.5-177.7-130.2152.8000111.8F591 P592 L593 L598 L599F591-L595 WeakPolarHBondContact O-CB 3.17Å; F591-L595 PolarHBondContact O-N 3.02Å; P592-L595 CarbonylContact O-C 3.59Å; P592-L595 PolarHBondContact O-N 3.27Å; L593-L595 VanDerWaalsContact C-N 3.35Å; L595-L598 PolarHBondContact O-N 2.83Å; L595-L599 HydrophobicContact CD2-CD1 3.46Å; L595-L599 VanDerWaalsContact CD2-CD1 3.46Å; L595-L599 HydrophobicContact CD2-CG 4.2Å; L595-L599 WeakPolarHBondContact O-CB 3.41Å; L595-L599 WeakPolarHBondContact O-CG 3.43Å; L595-L599 PolarHBondContact O-N 3.31Å
596T83.3Confident80.3Confident66 Ų66111.3 Ų111.341%0.40558%0.575SS.*Hα-helixtrans-68.6-39.6173.651.10000111.7P592 L593 I594 L598 L599 I600P592-T596 WeakPolarHBondContact O-CB 3.48Å; P592-T596 VanDerWaalsContact O-CG2 3.29Å; P592-T596 WeakPolarHBondContact O-CG2 3.32Å; P592-T596 PolarHBondContact O-N 3Å; P592-T596 PolarHBondContact O-OG1 3.24Å; L593-T596 WeakPolarHBondContact CA-OG1 3.4Å; L593-T596 PolarHBondContact O-N 3.5Å; L593-T596 PolarHBondContact O-OG1 2.93Å; I594-T596 PolarHBondContact O-N 2.75Å; T596-L598 VanDerWaalsContact C-N 3.34Å; T596-L598 PolarHBondContact O-N 3.49Å; T596-L599 PolarHBondContact O-N 3.43Å; T596-I600 WeakPolarHBondContact O-CB 3.43Å; T596-I600 WeakPolarHBondContact O-CD1 3.48Å; T596-I600 WeakPolarHBondContact O-CG1 3.45Å; T596-I600 PolarHBondContact O-N 3.3Å
597L80.8Confident79.9Confident107 Ų107108.9 Ų108.956%0.5657%0.571SS**Hα-helixtrans-60.8-45.7173.9-87.4155.2000110.7L593 I594 L599 I600 T601L593-L597 HydrophobicContact CD2-CD1 4.01Å; L593-L597 PolarHBondContact O-N 3.1Å; I594-L597 PolarHBondContact O-N 3.31Å; L597-L599 PolarHBondContact O-N 3.22Å; L597-I600 PolarHBondContact O-N 2.93Å; L597-T601 WeakPolarHBondContact O-CG2 3.36Å; L597-T601 PolarHBondContact O-N 3.04Å; L597-T601 PolarHBondContact O-OG1 2.93Å
598L80.1Confident79.5Confident118 Ų118110.6 Ų110.662%0.61858%0.58SS**Hα-helixtrans-68.3-26.6177.4-82.7163000114.9I594 L595 T596I594-L598 HydrophobicContact CG2-CD1 3.83Å; I594-L598 PolarHBondContact O-N 3.32Å; L595-L598 PolarHBondContact O-N 2.83Å; T596-L598 VanDerWaalsContact C-N 3.34Å; T596-L598 PolarHBondContact O-N 3.49Å
599L77.9Confident78.9Confident133 Ų133114.3 Ų114.370%0.69659%0.591SS**Hα-helixtrans-90.9-20.9178.2-83.7165.2000113.2L595 T596 L597L595-L599 HydrophobicContact CD2-CD1 3.46Å; L595-L599 VanDerWaalsContact CD2-CD1 3.46Å; L595-L599 HydrophobicContact CD2-CG 4.2Å; L595-L599 WeakPolarHBondContact O-CB 3.41Å; L595-L599 WeakPolarHBondContact O-CG 3.43Å; L595-L599 PolarHBondContact O-N 3.31Å; T596-L599 PolarHBondContact O-N 3.43Å; L597-L599 PolarHBondContact O-N 3.22Å
600I66.9Low78.5Confident146 Ų146111.6 Ų111.675%0.74959%0.586SS**Hα-helixtrans-97-21-178.8-64.1168000111.4T596 L597T596-I600 WeakPolarHBondContact O-CB 3.43Å; T596-I600 WeakPolarHBondContact O-CD1 3.48Å; T596-I600 WeakPolarHBondContact O-CG1 3.45Å; T596-I600 PolarHBondContact O-N 3.3Å; L597-I600 PolarHBondContact O-N 2.93Å
601T54.1Low77.9Confident152 Ų152108.9 Ų108.993%0.93358%0.583SS**  trans-81.80159.358.80000110.6L597L597-T601 WeakPolarHBondContact O-CG2 3.36Å; L597-T601 PolarHBondContact O-N 3.04Å; L597-T601 PolarHBondContact O-OG1 2.93Å

Retrieved 601 of 601 residues in 121.9 ms (Link to these results)

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