A0A077ZEE6_TRITR Loading...

RNA polymerase associated protein CTR9

AlphaFold DB , UniProt , Accession A0A077ZEE6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,070 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
1M52Low72.2Confident208 Ų20879.6 Ų79.6100%1.02543%0.432SS*.  0164.60-6677.5171.600108.4T3 F20M1-T3 WeakPolarHBondContact CB-O 3.4Å; M1-F20 HydrophobicContact CB-CE2 4.45Å
2A66.6Low71.8Confident74 Ų7481.4 Ų81.461%0.61245%0.45SS*.  trans-95.3-27.9173.500000112.2F20A2-F20 WeakPolarHBondContact O-CB 3.46Å; A2-F20 WeakPolarHBondContact O-CD2 3.35Å; A2-F20 PolarHBondContact O-N 2.93Å
3T77.3Confident71.6Confident32 Ų3286.8 Ų86.820%0.19648%0.478CS..EExtended strand (participates in β ladder)trans-117.8167.517345.40000109.9M1 I18 F20M1-T3 WeakPolarHBondContact CB-O 3.4Å; T3-I18 CarbonylContact C-O 3.34Å; T3-I18 WeakPolarHBondContact CA-O 3.46Å; T3-F20 WeakPolarHBondContact O-CE2 3.4Å
4I79.3Confident71.7Confident26 Ų2688.3 Ų88.313%0.13348%0.48CS..EExtended strand (participates in β ladder)trans-126.3137.7153.7-170.6167.2000108.7E17 I18 F20 D42 T45 V46I4-E17 WeakPolarHBondContact O-CA 3.5Å; I4-I18 HydrophobicContact CG2-CB 3.91Å; I4-I18 PolarHBondContact N-O 2.8Å; I4-I18 VanDerWaalsContact N-O 3.08Å; I4-I18 PolarHBondContact O-N 3.45Å; I4-F20 HydrophobicContact CB-CE1 4.1Å; I4-F20 HydrophobicContact CB-CE2 4.48Å; I4-F20 HydrophobicContact CB-CZ 3.65Å; I4-F20 HydrophobicContact CG2-CE1 3.65Å; I4-F20 HydrophobicContact CG2-CZ 3.75Å; I4-D42 HydrophobicContact CD1-CB 4.19Å; I4-T45 VanDerWaalsContact CD1-OG1 3.3Å; I4-T45 WeakPolarHBondContact CD1-OG1 3.34Å; I4-V46 HydrophobicContact CG2-CG2 4.18Å
5E81.3Confident72.1Confident125 Ų12586.8 Ų86.858%0.58448%0.475SS*.EExtended strand (participates in β ladder)trans-97.6111.9-179.6-69.5147.6-134.800108.5V15 E17E5-V15 HydrophobicContact CB-CB 4.14Å; E5-V15 HydrophobicContact CB-CG1 4.21Å; E5-V15 HydrophobicContact CB-CG2 4.39Å; E5-V15 HydrophobicContact CG-CG2 4.31Å; E5-E17 HydrophobicContact CG-CG 4.37Å
6I78.2Confident72.6Confident1 Ų184.4 Ų84.41%0.00546%0.46CS..EExtended strand (participates in β ladder)trans-100111.9176.1-68.5169.4000108.3V15 I16 I18 I32 L33 E36 T38I6-V15 CarbonylContact O-C 3.23Å; I6-V15 VanDerWaalsContact O-CA 3.31Å; I6-V15 WeakPolarHBondContact O-CA 3.45Å; I6-I16 HydrophobicContact CB-CB 4.29Å; I6-I16 PolarHBondContact N-O 3.26Å; I6-I16 PolarHBondContact O-N 2.91Å; I6-I18 HydrophobicContact CD1-CD1 3.56Å; I6-I18 HydrophobicContact CD1-CG1 4.09Å; I6-I32 HydrophobicContact CD1-CG2 4.16Å; I6-L33 HydrophobicContact CD1-CD2 3.84Å; I6-E36 HydrophobicContact CG2-CB 3.95Å; I6-E36 HydrophobicContact CG2-CG 4.09Å; I6-T38 HydrophobicContact CG2-CG2 3.5Å; I6-T38 VanDerWaalsContact CG2-CG2 3.5Å
7P73.4Confident73Confident68 Ų6886.1 Ų86.144%0.44246%0.464SS..EExtended strand (participates in β ladder)trans-68.913817829.1-34.3000111.1V15P7-V15 HydrophobicContact CB-CG1 4.41Å
8I75.5Confident73.4Confident39 Ų3981.7 Ų81.720%0.244%0.441CS..EExtended strand (participates in β ladder)trans-77.5133.9-179.9-63.8-178.7000109.9N10 N11 E14 I16 E36I8-N10 PolarHBondContact O-N 2.68Å; I8-N11 CarbonylContact O-C 3.56Å; I8-N11 PolarHBondContact O-N 3.4Å; I8-E14 HydrophobicContact CD1-CB 3.9Å; I8-E14 HydrophobicContact CG1-CB 4.43Å; I8-E14 PolarHBondContact N-O 3Å; I8-I16 HydrophobicContact CD1-CD1 4.33Å; I8-I16 HydrophobicContact CD1-CG1 3.94Å; I8-I16 HydrophobicContact CG1-CD1 4.07Å; I8-I16 HydrophobicContact CG1-CG1 3.84Å; I8-E36 WeakPolarHBondContact CA-OE2 3.4Å; I8-E36 WeakPolarHBondContact CG2-OE2 3.48Å
9E70.7Confident73.8Confident100 Ų10081.2 Ų81.247%0.46744%0.438SS..THydrogen-bonded Turntrans-61.3-32.6-173.2-174.1179.8-155.300112.5E36 K37E9-E36 PolarHBondContact N-OE2 3.45Å; E9-K37 WeakPolarHBondContact OE1-CD 3.25Å; E9-K37 IonicContact OE1-NZ 2.84Å; E9-K37 PolarHBondContact OE1-NZ 2.87Å; E9-K37 IonicContact OE2-NZ 3.21Å; E9-K37 PolarHBondContact OE2-NZ 2.97Å
10N69.5Low74Confident149 Ų14978.4 Ų78.480%0.79742%0.421SS*.THydrogen-bonded Turntrans-89.9-14.1-178.4-64.1-66.9000114.5I8I8-N10 PolarHBondContact O-N 2.68Å
11N70.5Confident73.9Confident54 Ų5479.3 Ų79.329%0.28943%0.434SS..EExtended strand (participates in β ladder)trans-149.999.3177.3-167.18.5000110.9I8 D13 E14I8-N11 CarbonylContact O-C 3.56Å; I8-N11 PolarHBondContact O-N 3.4Å; N11-D13 PolarHBondContact O-N 3.32Å; N11-E14 HydrophobicContact CB-CB 4.38Å; N11-E14 VanDerWaalsContact ND2-CD 3.35Å; N11-E14 PolarHBondContact ND2-OE1 3.47Å; N11-E14 PolarHBondContact O-N 3.04Å
12P67.8Low75Confident101 Ų10177.1 Ų77.166%0.65642%0.421SS*.EExtended strand (participates in β ladder)trans-70.5-13.1-172.630.2-36.7000114.1E14P12-E14 VanDerWaalsContact C-N 3.34Å
13D68.5Low75.4Confident151 Ų15174 Ų7481%0.80739%0.394SS*.EExtended strand (participates in β ladder)trans-83-11174-66.7-19.8000112.4N11N11-D13 PolarHBondContact O-N 3.32Å
14E73Confident75.5Confident108 Ų10874.9 Ų74.951%0.50540%0.401SS..EExtended strand (participates in β ladder)trans-103.6132.8174.2-73.2175.2-14100111.2I8 N11 P12I8-E14 HydrophobicContact CD1-CB 3.9Å; I8-E14 HydrophobicContact CG1-CB 4.43Å; I8-E14 PolarHBondContact N-O 3Å; N11-E14 HydrophobicContact CB-CB 4.38Å; N11-E14 VanDerWaalsContact ND2-CD 3.35Å; N11-E14 PolarHBondContact ND2-OE1 3.47Å; N11-E14 PolarHBondContact O-N 3.04Å; P12-E14 VanDerWaalsContact C-N 3.34Å
15V78.2Confident75.6Confident66 Ų6680.4 Ų80.440%0.443%0.426SS..EExtended strand (participates in β ladder)trans-125135.9-179.9-70.40000111.6E5 I6 P7 E17E5-V15 HydrophobicContact CB-CB 4.14Å; E5-V15 HydrophobicContact CB-CG1 4.21Å; E5-V15 HydrophobicContact CB-CG2 4.39Å; E5-V15 HydrophobicContact CG-CG2 4.31Å; I6-V15 CarbonylContact O-C 3.23Å; I6-V15 VanDerWaalsContact O-CA 3.31Å; I6-V15 WeakPolarHBondContact O-CA 3.45Å; P7-V15 HydrophobicContact CB-CG1 4.41Å; V15-E17 PolarHBondContact O-N 2.92Å
16I79.2Confident75.6Confident48 Ų4876 Ų7625%0.24641%0.406CS..EExtended strand (participates in β ladder)trans-84.6107.5169.2-59.3172.8000107.8I6 I8 I18 I32 E36I6-I16 HydrophobicContact CB-CB 4.29Å; I6-I16 PolarHBondContact N-O 3.26Å; I6-I16 PolarHBondContact O-N 2.91Å; I8-I16 HydrophobicContact CD1-CD1 4.33Å; I8-I16 HydrophobicContact CD1-CG1 3.94Å; I8-I16 HydrophobicContact CG1-CD1 4.07Å; I8-I16 HydrophobicContact CG1-CG1 3.84Å; I16-I18 HydrophobicContact CG2-CG1 4.5Å; I16-I18 PolarHBondContact O-N 3.44Å; I16-I32 HydrophobicContact CD1-CG2 3.91Å; I16-I32 HydrophobicContact CG2-CG2 4.21Å; I16-E36 HydrophobicContact CD1-CG 4.04Å
17E80.3Confident75.8Confident114 Ų11481.7 Ų81.753%0.53343%0.432SS..EExtended strand (participates in β ladder)trans-81.1104.2175.2-71.2-174.5-15800111.9I4 E5 V15 N19I4-E17 WeakPolarHBondContact O-CA 3.5Å; E5-E17 HydrophobicContact CG-CG 4.37Å; V15-E17 PolarHBondContact O-N 2.92Å; E17-N19 PolarHBondContact O-N 3.17Å
18I80.7Confident76.4Confident7 Ų781.8 Ų81.84%0.03643%0.429CS..EExtended strand (participates in β ladder)trans-83.4109168.6-54.7-175.4000109T3 I4 I6 I16 F20 V29T3-I18 CarbonylContact C-O 3.34Å; T3-I18 WeakPolarHBondContact CA-O 3.46Å; I4-I18 HydrophobicContact CG2-CB 3.91Å; I4-I18 PolarHBondContact N-O 2.8Å; I4-I18 VanDerWaalsContact N-O 3.08Å; I4-I18 PolarHBondContact O-N 3.45Å; I6-I18 HydrophobicContact CD1-CD1 3.56Å; I6-I18 HydrophobicContact CD1-CG1 4.09Å; I16-I18 HydrophobicContact CG2-CG1 4.5Å; I16-I18 PolarHBondContact O-N 3.44Å; I18-F20 PolarHBondContact O-N 3Å; I18-V29 HydrophobicContact CD1-CG1 3.81Å; I18-V29 HydrophobicContact CD1-CG2 4.34Å
19N80.5Confident76.8Confident72 Ų7280 Ų8039%0.38542%0.419SS..EExtended strand (participates in β ladder)trans-77112176.2-87.8-90.9000111.1E17 S21 Q22E17-N19 PolarHBondContact O-N 3.17Å; N19-S21 PolarHBondContact O-N 2.97Å; N19-Q22 CarbonylContact O-C 3.53Å; N19-Q22 PolarHBondContact O-N 3.29Å
20F77.1Confident77.4Confident24 Ų2477 Ų7711%0.10541%0.405CS..G310 helixtrans-68.1-16-178.5-57.8-38.8000113.8M1 A2 T3 I4 I18 Q22 L23 E49M1-F20 HydrophobicContact CB-CE2 4.45Å; A2-F20 WeakPolarHBondContact O-CB 3.46Å; A2-F20 WeakPolarHBondContact O-CD2 3.35Å; A2-F20 PolarHBondContact O-N 2.93Å; T3-F20 WeakPolarHBondContact O-CE2 3.4Å; I4-F20 HydrophobicContact CB-CE1 4.1Å; I4-F20 HydrophobicContact CB-CE2 4.48Å; I4-F20 HydrophobicContact CB-CZ 3.65Å; I4-F20 HydrophobicContact CG2-CE1 3.65Å; I4-F20 HydrophobicContact CG2-CZ 3.75Å; I18-F20 PolarHBondContact O-N 3Å; F20-Q22 PolarHBondContact O-N 3.2Å; F20-L23 HydrophobicContact CD1-CD2 4.06Å; F20-E49 HydrophobicContact CB-CG 4.4Å; F20-E49 HydrophobicContact CD1-CB 4.01Å; F20-E49 HydrophobicContact CD1-CG 3.7Å; F20-E49 HydrophobicContact CD2-CG 3.81Å; F20-E49 HydrophobicContact CE1-CB 4.32Å; F20-E49 HydrophobicContact CE1-CG 3.71Å; F20-E49 HydrophobicContact CE2-CG 3.83Å; F20-E49 HydrophobicContact CG-CB 4.22Å; F20-E49 HydrophobicContact CG-CG 3.74Å; F20-E49 HydrophobicContact CZ-CG 3.74Å
21S72.8Confident78.1Confident98 Ų9875 Ų7569%0.68539%0.392SS*.G310 helixtrans-67.3-23.2170.954.10000113.3N19N19-S21 PolarHBondContact O-N 2.97Å
22Q75.4Confident78.7Confident162 Ų16274.4 Ų74.476%0.75739%0.388SS*.G310 helixtrans-140.863.2-177.7-64.8-171.8-0.700110.5N19 F20 P24N19-Q22 CarbonylContact O-C 3.53Å; N19-Q22 PolarHBondContact O-N 3.29Å; F20-Q22 PolarHBondContact O-N 3.2Å; Q22-P24 WeakPolarHBondContact O-CD 3.4Å
23L74.4Confident79.5Confident9 Ų969.6 Ų69.65%0.04736%0.357CS..  trans-54.8120.4177.9-71.8173.5000111.8F20 E49 Y50 C53 R55F20-L23 HydrophobicContact CD1-CD2 4.06Å; L23-E49 HydrophobicContact CD1-CB 4.34Å; L23-E49 HydrophobicContact CD2-CB 4.47Å; L23-Y50 HydrophobicContact CB-CE1 4.05Å; L23-Y50 HydrophobicContact CD1-CD1 3.95Å; L23-Y50 HydrophobicContact CD1-CE1 4.27Å; L23-Y50 HydrophobicContact CD1-CG 4.11Å; L23-Y50 HydrophobicContact CD2-CE2 4.47Å; L23-C53 HydrophobicContact CD1-CB 4.01Å; L23-R55 PolarHBondContact O-NH1 2.94Å; L23-R55 PolarHBondContact O-NH2 3.06Å
24P78.6Confident80.2Confident51 Ų5165.2 Ų65.233%0.33133%0.333SS..  trans-64-175.2177.1-18.230.1000112.9Q22 D28 V29 Y50 R55Q22-P24 WeakPolarHBondContact O-CD 3.4Å; P24-D28 HydrophobicContact CB-CB 4.38Å; P24-V29 HydrophobicContact CB-CG2 3.85Å; P24-V29 HydrophobicContact CG-CG2 3.81Å; P24-Y50 PolarHBondContact O-OH 3.14Å; P24-R55 PolarHBondContact O-NH1 3.48Å
25Q81.3Confident80.6Confident142 Ų14262.7 Ų62.766%0.66433%0.328SS*.  trans-67.5143.2171.2-49.4-167.521.700109.1H27 D28 V29Q25-H27 PolarHBondContact O-N 3.41Å; Q25-H27 VanDerWaalsContact O-N 3.16Å; Q25-D28 VanDerWaalsContact CB-OD2 3.31Å; Q25-D28 WeakPolarHBondContact CB-OD2 3.42Å; Q25-D28 PolarHBondContact N-OD2 3.3Å; Q25-D28 PolarHBondContact O-N 2.9Å; Q25-V29 PolarHBondContact O-N 3.13Å
26M81.5Confident80.6Confident33 Ų3361.1 Ų61.116%0.16332%0.316CS..Hα-helixtrans-60-28.4-178.1176.9-83-62.600112.2K30 Y50 D58 H61M26-K30 WeakPolarHBondContact O-CB 3.47Å; M26-K30 PolarHBondContact O-N 3.42Å; M26-K30 HydrophobicContact SD-CB 4.41Å; M26-Y50 HydrophobicContact CB-CE1 4.48Å; M26-D58 HydrophobicContact CB-CB 3.87Å; M26-D58 VanDerWaalsContact CB-OD1 3.25Å; M26-D58 WeakPolarHBondContact CB-OD1 3.48Å; M26-D58 HydrophobicContact CG-CB 4.07Å; M26-H61 HydrophobicContact CE-CB 3.63Å; M26-H61 HydrophobicContact SD-CB 4.24Å
27H84.1Confident80.5Confident119 Ų11964.1 Ų64.155%0.55133%0.327SS*.Hα-helixtrans-61.9-48.7172.7-170.465.2000112.4Q25 V29 K30 M31Q25-H27 PolarHBondContact O-N 3.41Å; Q25-H27 VanDerWaalsContact O-N 3.16Å; H27-V29 PolarHBondContact O-N 3.35Å; H27-K30 PolarHBondContact O-N 3.19Å; H27-M31 VanDerWaalsContact O-CG 3.28Å; H27-M31 WeakPolarHBondContact O-CG 3.28Å; H27-M31 PolarHBondContact O-N 2.85Å
28D84.1Confident80.4Confident71 Ų7159.1 Ų59.138%0.3830%0.304SS..Hα-helixtrans-60.4-46.8179.5-45.3-37.2000110.6P24 Q25 M31 I32P24-D28 HydrophobicContact CB-CB 4.38Å; Q25-D28 VanDerWaalsContact CB-OD2 3.31Å; Q25-D28 WeakPolarHBondContact CB-OD2 3.42Å; Q25-D28 PolarHBondContact N-OD2 3.3Å; Q25-D28 PolarHBondContact O-N 2.9Å; D28-M31 PolarHBondContact O-N 2.84Å; D28-I32 WeakPolarHBondContact O-CG1 3.32Å; D28-I32 PolarHBondContact O-N 3.04Å
29V84.8Confident80.5Confident0 Ų066.3 Ų66.30%033%0.331CS..Hα-helixtrans-67.7-38.2179.8179.30000111.7I18 P24 Q25 H27 M31 I32 L33 V46 Y50I18-V29 HydrophobicContact CD1-CG1 3.81Å; I18-V29 HydrophobicContact CD1-CG2 4.34Å; P24-V29 HydrophobicContact CB-CG2 3.85Å; P24-V29 HydrophobicContact CG-CG2 3.81Å; Q25-V29 PolarHBondContact O-N 3.13Å; H27-V29 PolarHBondContact O-N 3.35Å; V29-M31 VanDerWaalsContact C-N 3.34Å; V29-I32 PolarHBondContact O-N 2.99Å; V29-L33 HydrophobicContact CG1-CD1 3.82Å; V29-L33 HydrophobicContact CG1-CG 4.24Å; V29-L33 WeakPolarHBondContact O-CB 3.46Å; V29-L33 VanDerWaalsContact O-CG 3.23Å; V29-L33 WeakPolarHBondContact O-CG 3.4Å; V29-L33 PolarHBondContact O-N 3.46Å; V29-V46 HydrophobicContact CG1-CG1 3.68Å; V29-Y50 HydrophobicContact CG1-CE2 4.46Å; V29-Y50 VanDerWaalsContact CG2-OH 3.27Å; V29-Y50 WeakPolarHBondContact CG2-OH 3.49Å
30K83.7Confident80.7Confident38 Ų3863.1 Ų63.117%0.16531%0.314CS..Hα-helixtrans-59.3-45.6170.8171.7173173.6160.20110.9M26 H27 I32 L33 L34 C65 E69M26-K30 WeakPolarHBondContact O-CB 3.47Å; M26-K30 PolarHBondContact O-N 3.42Å; M26-K30 HydrophobicContact SD-CB 4.41Å; H27-K30 PolarHBondContact O-N 3.19Å; K30-I32 PolarHBondContact O-N 3.41Å; K30-L33 PolarHBondContact O-N 3.01Å; K30-L34 HydrophobicContact CD-CD1 4.47Å; K30-L34 HydrophobicContact CG-CD1 3.85Å; K30-L34 HydrophobicContact CG-CG 4.37Å; K30-L34 WeakPolarHBondContact O-CB 3.33Å; K30-L34 WeakPolarHBondContact O-CG 3.34Å; K30-L34 PolarHBondContact O-N 2.86Å; K30-C65 HydrophobicContact CD-CB 4.46Å; K30-C65 PolarHBondContact NZ-SG 3.4Å; K30-E69 WeakPolarHBondContact CE-OE2 3.21Å; K30-E69 IonicContact NZ-OE1 3.74Å; K30-E69 PolarHBondContact NZ-OE1 3.26Å; K30-E69 IonicContact NZ-OE2 2.71Å; K30-E69 PolarHBondContact NZ-OE2 3Å
31M83.1Confident81Confident106 Ų10668.3 Ų68.352%0.52233%0.333SS..Hα-helixtrans-63.7-39.8180-68.5-63.5-71.800111.9H27 D28 V29 L34 S35H27-M31 VanDerWaalsContact O-CG 3.28Å; H27-M31 WeakPolarHBondContact O-CG 3.28Å; H27-M31 PolarHBondContact O-N 2.85Å; D28-M31 PolarHBondContact O-N 2.84Å; V29-M31 VanDerWaalsContact C-N 3.34Å; M31-L34 PolarHBondContact O-N 3.12Å; M31-S35 WeakPolarHBondContact O-CB 3.41Å; M31-S35 PolarHBondContact O-N 3.01Å; M31-S35 PolarHBondContact O-OG 2.92Å
32I83.8Confident81.6Confident42 Ų4265.2 Ų65.222%0.21531%0.309CS..Hα-helixtrans-64-47.9173.4-67.2162000111.6I6 I16 D28 V29 K30 L34 S35 E36I6-I32 HydrophobicContact CD1-CG2 4.16Å; I16-I32 HydrophobicContact CD1-CG2 3.91Å; I16-I32 HydrophobicContact CG2-CG2 4.21Å; D28-I32 WeakPolarHBondContact O-CG1 3.32Å; D28-I32 PolarHBondContact O-N 3.04Å; V29-I32 PolarHBondContact O-N 2.99Å; K30-I32 PolarHBondContact O-N 3.41Å; I32-L34 PolarHBondContact O-N 3.39Å; I32-S35 PolarHBondContact O-N 3.32Å; I32-S35 PolarHBondContact O-OG 3.19Å; I32-S35 VanDerWaalsContact O-OG 3.14Å; I32-E36 PolarHBondContact O-N 3.39Å; I32-E36 VanDerWaalsContact O-N 3.16Å
33L83.6Confident82.3Confident1 Ų157.5 Ų57.51%0.00527%0.273CS..Hα-helixtrans-63.3-28.5-179.7-72.5168.1000112.4I6 V29 K30 T38 W43 L62I6-L33 HydrophobicContact CD1-CD2 3.84Å; V29-L33 HydrophobicContact CG1-CD1 3.82Å; V29-L33 HydrophobicContact CG1-CG 4.24Å; V29-L33 WeakPolarHBondContact O-CB 3.46Å; V29-L33 VanDerWaalsContact O-CG 3.23Å; V29-L33 WeakPolarHBondContact O-CG 3.4Å; V29-L33 PolarHBondContact O-N 3.46Å; K30-L33 PolarHBondContact O-N 3.01Å; L33-T38 WeakPolarHBondContact CA-OG1 3.39Å; L33-T38 HydrophobicContact CD2-CG2 4Å; L33-T38 VanDerWaalsContact CD2-OG1 3.31Å; L33-T38 WeakPolarHBondContact CD2-OG1 3.36Å; L33-T38 PolarHBondContact O-N 3.22Å; L33-T38 PolarHBondContact O-OG1 3.24Å; L33-W43 HydrophobicContact CB-CD2 4.25Å; L33-W43 HydrophobicContact CB-CH2 4.31Å; L33-W43 HydrophobicContact CB-CZ2 3.72Å; L33-W43 HydrophobicContact CD1-CD2 4.01Å; L33-W43 HydrophobicContact CD1-CE3 4.22Å; L33-W43 HydrophobicContact CD1-CG 4.23Å; L33-L62 HydrophobicContact CD1-CD1 3.91Å; L33-L62 HydrophobicContact CD1-CD2 4.35Å
34L83.7Confident82.8Confident58 Ų5857.2 Ų57.230%0.30427%0.271SS..Hα-helixtrans-80.4-43173.8-71.2173.7000113.5K30 M31 I32 K37 W43 E69K30-L34 HydrophobicContact CD-CD1 4.47Å; K30-L34 HydrophobicContact CG-CD1 3.85Å; K30-L34 HydrophobicContact CG-CG 4.37Å; K30-L34 WeakPolarHBondContact O-CB 3.33Å; K30-L34 WeakPolarHBondContact O-CG 3.34Å; K30-L34 PolarHBondContact O-N 2.86Å; M31-L34 PolarHBondContact O-N 3.12Å; I32-L34 PolarHBondContact O-N 3.39Å; L34-K37 PolarHBondContact O-N 3.31Å; L34-W43 HydrophobicContact CD2-CH2 3.81Å; L34-W43 HydrophobicContact CD2-CZ2 3.88Å; L34-W43 HydrophobicContact CG-CH2 4.02Å; L34-W43 HydrophobicContact CG-CZ2 4.2Å; L34-E69 HydrophobicContact CD2-CB 3.68Å
35S81.1Confident83.3Confident56 Ų5656.8 Ų56.839%0.39227%0.267SS..Hα-helixtrans-63.6-45.5-17862.40000111.2M31 I32 K37M31-S35 WeakPolarHBondContact O-CB 3.41Å; M31-S35 PolarHBondContact O-N 3.01Å; M31-S35 PolarHBondContact O-OG 2.92Å; I32-S35 PolarHBondContact O-N 3.32Å; I32-S35 PolarHBondContact O-OG 3.19Å; I32-S35 VanDerWaalsContact O-OG 3.14Å; S35-K37 VanDerWaalsContact C-N 3.26Å; S35-K37 PolarHBondContact O-N 2.8Å
36E80Confident83.5Confident33 Ų3350 Ų5015%0.15424%0.236CC..THydrogen-bonded Turntrans-86.811.4-178.4-47-39.1123.600113.6I6 I8 E9 I16 I32 T38I6-E36 HydrophobicContact CG2-CB 3.95Å; I6-E36 HydrophobicContact CG2-CG 4.09Å; I8-E36 WeakPolarHBondContact CA-OE2 3.4Å; I8-E36 WeakPolarHBondContact CG2-OE2 3.48Å; E9-E36 PolarHBondContact N-OE2 3.45Å; I16-E36 HydrophobicContact CD1-CG 4.04Å; I32-E36 PolarHBondContact O-N 3.39Å; I32-E36 VanDerWaalsContact O-N 3.16Å; E36-T38 HydrophobicContact CB-CG2 4.03Å; E36-T38 PolarHBondContact O-N 3.07Å
37K77.1Confident83.9Confident111 Ų11148.4 Ų48.448%0.48323%0.228SC..THydrogen-bonded Turntrans45.241.7177.9-56.2-164.3-17576.60114.8E9 L34 S35 N71E9-K37 WeakPolarHBondContact OE1-CD 3.25Å; E9-K37 IonicContact OE1-NZ 2.84Å; E9-K37 PolarHBondContact OE1-NZ 2.87Å; E9-K37 IonicContact OE2-NZ 3.21Å; E9-K37 PolarHBondContact OE2-NZ 2.97Å; L34-K37 PolarHBondContact O-N 3.31Å; S35-K37 VanDerWaalsContact C-N 3.26Å; S35-K37 PolarHBondContact O-N 2.8Å; K37-N71 PolarHBondContact O-ND2 2.99Å
38T77.3Confident84Confident8 Ų845 Ų455%0.04921%0.213CC..  trans-58.9161-169.7580000115.1I6 L33 E36 W43I6-T38 HydrophobicContact CG2-CG2 3.5Å; I6-T38 VanDerWaalsContact CG2-CG2 3.5Å; L33-T38 WeakPolarHBondContact CA-OG1 3.39Å; L33-T38 HydrophobicContact CD2-CG2 4Å; L33-T38 VanDerWaalsContact CD2-OG1 3.31Å; L33-T38 WeakPolarHBondContact CD2-OG1 3.36Å; L33-T38 PolarHBondContact O-N 3.22Å; L33-T38 PolarHBondContact O-OG1 3.24Å; E36-T38 HydrophobicContact CB-CG2 4.03Å; E36-T38 PolarHBondContact O-N 3.07Å; T38-W43 PolarHBondContact OG1-NE1 2.93Å
39R83Confident84.2Confident159 Ų15943.2 Ų43.260%0.620%0.203SC*.BIsolated β-bridgetrans-77.1143.8-177.6-54174.3-177.2158.23.3109.5R41 D42 Y74R39-R41 PolarHBondContact O-N 3.16Å; R39-R41 VanDerWaalsContact O-N 3.09Å; R39-D42 VanDerWaalsContact CB-OD2 3.31Å; R39-D42 WeakPolarHBondContact CB-OD2 3.18Å; R39-D42 PolarHBondContact N-OD2 2.91Å; R39-D42 VanDerWaalsContact N-OD2 3.12Å; R39-D42 WeakPolarHBondContact O-CB 3.19Å; R39-D42 PolarHBondContact O-N 2.89Å; R39-Y74 HydrophobicContact CB-CD1 4.3Å; R39-Y74 HydrophobicContact CB-CE1 4Å; R39-Y74 HydrophobicContact CB-CE2 4.27Å; R39-Y74 HydrophobicContact CG-CG 4.48Å
40L84Confident84.4Confident4 Ų443.2 Ų43.22%0.02120%0.203CC..Hα-helixtrans-56.2-30.2-179.8174.260.8000113.1D42 W43 I44 S66 A70 Y74 D80 Q81L40-D42 VanDerWaalsContact C-N 3.25Å; L40-D42 PolarHBondContact O-N 2.88Å; L40-W43 HydrophobicContact CD1-CB 4.48Å; L40-W43 WeakPolarHBondContact O-CB 3.29Å; L40-W43 PolarHBondContact O-N 3.37Å; L40-I44 HydrophobicContact CD1-CD1 4.49Å; L40-I44 HydrophobicContact CD1-CG1 4.48Å; L40-I44 HydrophobicContact CG-CD1 4.18Å; L40-I44 WeakPolarHBondContact O-CG1 3.38Å; L40-I44 PolarHBondContact O-N 3.27Å; L40-I44 VanDerWaalsContact O-N 3.11Å; L40-S66 VanDerWaalsContact CD1-CB 3.48Å; L40-S66 WeakPolarHBondContact CD1-OG 3.45Å; L40-A70 HydrophobicContact CB-CB 4.35Å; L40-A70 HydrophobicContact CD1-CB 4.12Å; L40-Y74 HydrophobicContact CB-CE1 3.93Å; L40-Y74 WeakPolarHBondContact CB-OH 3.34Å; L40-Y74 PolarHBondContact N-OH 2.9Å; L40-D80 HydrophobicContact CD2-CB 4.3Å; L40-D80 HydrophobicContact CG-CB 4.22Å; L40-Q81 HydrophobicContact CD2-CB 3.97Å
41R84.7Confident84.5Confident134 Ų13445.5 Ų45.551%0.50621%0.211SC..Hα-helixtrans-51.7-42168.9-174.4165.8166.4159-7.1113.7R39 I44 T45 Y74 D80R39-R41 PolarHBondContact O-N 3.16Å; R39-R41 VanDerWaalsContact O-N 3.09Å; R41-I44 PolarHBondContact O-N 3.23Å; R41-T45 PolarHBondContact O-N 3.05Å; R41-T45 PolarHBondContact O-OG1 3.45Å; R41-Y74 PolarHBondContact N-OH 3.42Å; R41-Y74 VanDerWaalsContact N-OH 3.08Å; R41-D80 WeakPolarHBondContact CB-OD2 3.43Å
42D85.4Confident84.6Confident32 Ų3246.4 Ų46.417%0.17121%0.212CC..Hα-helixtrans-71.1-44.5-173.7-49.1-36.1000109.2I4 R39 L40 I44 T45 V46I4-D42 HydrophobicContact CD1-CB 4.19Å; R39-D42 VanDerWaalsContact CB-OD2 3.31Å; R39-D42 WeakPolarHBondContact CB-OD2 3.18Å; R39-D42 PolarHBondContact N-OD2 2.91Å; R39-D42 VanDerWaalsContact N-OD2 3.12Å; R39-D42 WeakPolarHBondContact O-CB 3.19Å; R39-D42 PolarHBondContact O-N 2.89Å; L40-D42 VanDerWaalsContact C-N 3.25Å; L40-D42 PolarHBondContact O-N 2.88Å; D42-I44 VanDerWaalsContact C-N 3.32Å; D42-I44 PolarHBondContact O-N 3Å; D42-T45 WeakPolarHBondContact CA-OG1 3.43Å; D42-T45 PolarHBondContact O-N 3.01Å; D42-T45 VanDerWaalsContact O-N 3.12Å; D42-T45 PolarHBondContact O-OG1 3.4Å; D42-V46 WeakPolarHBondContact O-CG2 3.14Å; D42-V46 PolarHBondContact O-N 3.31Å
43W88.4Confident84.6Confident1 Ų147.5 Ų47.50%0.00422%0.223CC..Hα-helixtrans-52.6-47.1170-6866.1000112L33 L34 T38 L40 T45 V46 A47 L62 C65 S66 A70L33-W43 HydrophobicContact CB-CD2 4.25Å; L33-W43 HydrophobicContact CB-CH2 4.31Å; L33-W43 HydrophobicContact CB-CZ2 3.72Å; L33-W43 HydrophobicContact CD1-CD2 4.01Å; L33-W43 HydrophobicContact CD1-CE3 4.22Å; L33-W43 HydrophobicContact CD1-CG 4.23Å; L34-W43 HydrophobicContact CD2-CH2 3.81Å; L34-W43 HydrophobicContact CD2-CZ2 3.88Å; L34-W43 HydrophobicContact CG-CH2 4.02Å; L34-W43 HydrophobicContact CG-CZ2 4.2Å; T38-W43 PolarHBondContact OG1-NE1 2.93Å; L40-W43 HydrophobicContact CD1-CB 4.48Å; L40-W43 WeakPolarHBondContact O-CB 3.29Å; L40-W43 PolarHBondContact O-N 3.37Å; W43-T45 PolarHBondContact O-N 2.73Å; W43-V46 PolarHBondContact O-N 2.93Å; W43-A47 VanDerWaalsContact O-CB 3.3Å; W43-A47 WeakPolarHBondContact O-CB 3.47Å; W43-A47 PolarHBondContact O-N 3.04Å; W43-L62 HydrophobicContact CE3-CD1 3.59Å; W43-L62 HydrophobicContact CE3-CG 4.06Å; W43-L62 HydrophobicContact CZ3-CD1 3.75Å; W43-C65 HydrophobicContact CH2-CB 4.5Å; W43-C65 HydrophobicContact CZ3-CB 3.8Å; W43-S66 VanDerWaalsContact CE3-CB 3.47Å; W43-A70 HydrophobicContact CD2-CB 4.23Å; W43-A70 HydrophobicContact CG-CB 4.4Å; W43-A70 HydrophobicContact CZ2-CB 4.26Å
44I86.7Confident84.5Confident3 Ų354.1 Ų54.12%0.01526%0.258CS..Hα-helixtrans-63.7-41.5179.1-63.9161.7000111L40 R41 D42 I48 L63 D80 A84L40-I44 HydrophobicContact CD1-CD1 4.49Å; L40-I44 HydrophobicContact CD1-CG1 4.48Å; L40-I44 HydrophobicContact CG-CD1 4.18Å; L40-I44 WeakPolarHBondContact O-CG1 3.38Å; L40-I44 PolarHBondContact O-N 3.27Å; L40-I44 VanDerWaalsContact O-N 3.11Å; R41-I44 PolarHBondContact O-N 3.23Å; D42-I44 VanDerWaalsContact C-N 3.32Å; D42-I44 PolarHBondContact O-N 3Å; I44-I48 HydrophobicContact CG2-CD1 3.91Å; I44-I48 WeakPolarHBondContact O-CD1 3.31Å; I44-I48 VanDerWaalsContact O-CG1 3.27Å; I44-I48 WeakPolarHBondContact O-CG1 3.18Å; I44-I48 PolarHBondContact O-N 2.74Å; I44-L63 HydrophobicContact CG1-CD2 4.27Å; I44-D80 HydrophobicContact CD1-CB 3.86Å; I44-D80 WeakPolarHBondContact CD1-O 3.32Å; I44-A84 HydrophobicContact CD1-CB 3.94Å; I44-A84 HydrophobicContact CG1-CB 3.99Å
45T87.3Confident84.6Confident41 Ų4156.2 Ų56.225%0.25226%0.262SS..Hα-helixtrans-66.6-46177.551.30000112.4I4 R41 D42 W43 A47 I48 E49I4-T45 VanDerWaalsContact CD1-OG1 3.3Å; I4-T45 WeakPolarHBondContact CD1-OG1 3.34Å; R41-T45 PolarHBondContact O-N 3.05Å; R41-T45 PolarHBondContact O-OG1 3.45Å; D42-T45 WeakPolarHBondContact CA-OG1 3.43Å; D42-T45 PolarHBondContact O-N 3.01Å; D42-T45 VanDerWaalsContact O-N 3.12Å; D42-T45 PolarHBondContact O-OG1 3.4Å; W43-T45 PolarHBondContact O-N 2.73Å; T45-A47 VanDerWaalsContact C-N 3.32Å; T45-A47 PolarHBondContact O-N 3.1Å; T45-I48 PolarHBondContact O-N 3.48Å; T45-I48 VanDerWaalsContact O-N 3.14Å; T45-E49 PolarHBondContact O-N 3.03Å; T45-E49 VanDerWaalsContact O-N 3.13Å
46V87.2Confident84.7Confident0 Ų055.7 Ų55.70%026%0.256CS..Hα-helixtrans-59-44175.9171.30000110.8I4 V29 D42 W43 I48 E49 Y50 L62I4-V46 HydrophobicContact CG2-CG2 4.18Å; V29-V46 HydrophobicContact CG1-CG1 3.68Å; D42-V46 WeakPolarHBondContact O-CG2 3.14Å; D42-V46 PolarHBondContact O-N 3.31Å; W43-V46 PolarHBondContact O-N 2.93Å; V46-I48 PolarHBondContact O-N 2.62Å; V46-E49 PolarHBondContact O-N 2.82Å; V46-E49 VanDerWaalsContact O-N 3.17Å; V46-Y50 HydrophobicContact CG1-CD2 3.85Å; V46-Y50 HydrophobicContact CG1-CE2 3.65Å; V46-Y50 WeakPolarHBondContact O-CD2 3.43Å; V46-Y50 PolarHBondContact O-N 3.48Å; V46-L62 HydrophobicContact CB-CD2 4.06Å; V46-L62 HydrophobicContact CG1-CD2 3.55Å
47A88.5Confident85Confident0 Ų061 Ų610%028%0.281CS..Hα-helixtrans-58.4-45.317500000111.7W43 T45 E49 Y50 Y51 F59 L62 L63W43-A47 VanDerWaalsContact O-CB 3.3Å; W43-A47 WeakPolarHBondContact O-CB 3.47Å; W43-A47 PolarHBondContact O-N 3.04Å; T45-A47 VanDerWaalsContact C-N 3.32Å; T45-A47 PolarHBondContact O-N 3.1Å; A47-E49 VanDerWaalsContact C-N 3.26Å; A47-E49 PolarHBondContact O-N 2.95Å; A47-Y50 WeakPolarHBondContact O-CB 3.37Å; A47-Y50 PolarHBondContact O-N 2.96Å; A47-Y50 VanDerWaalsContact O-N 3.14Å; A47-Y51 PolarHBondContact O-N 2.71Å; A47-F59 HydrophobicContact CB-CD2 3.8Å; A47-F59 HydrophobicContact CB-CE2 4.24Å; A47-F59 VanDerWaalsContact O-CD2 3.27Å; A47-F59 WeakPolarHBondContact O-CD2 3.35Å; A47-L62 HydrophobicContact CB-CD2 4.09Å; A47-L63 HydrophobicContact CB-CD2 3.96Å; A47-L63 HydrophobicContact CB-CG 3.97Å
48I87.2Confident85.5Confident48 Ų4857.4 Ų57.425%0.24627%0.267CS..Hα-helixtrans-61-32.9178.1-72.5166000112.1I44 T45 V46 K52I44-I48 HydrophobicContact CG2-CD1 3.91Å; I44-I48 WeakPolarHBondContact O-CD1 3.31Å; I44-I48 VanDerWaalsContact O-CG1 3.27Å; I44-I48 WeakPolarHBondContact O-CG1 3.18Å; I44-I48 PolarHBondContact O-N 2.74Å; T45-I48 PolarHBondContact O-N 3.48Å; T45-I48 VanDerWaalsContact O-N 3.14Å; V46-I48 PolarHBondContact O-N 2.62Å; I48-K52 HydrophobicContact CG2-CD 4.42Å; I48-K52 WeakPolarHBondContact O-CG 3.39Å; I48-K52 PolarHBondContact O-N 3.27Å; I48-K52 VanDerWaalsContact O-N 3.07Å
49E87.7Confident86.1Confident33 Ų3357.5 Ų57.515%0.15427%0.267CS..Hα-helixtrans-73.3-40.2172.9-52.1-49.1130.600112.5F20 L23 T45 V46 A47 Y51 K52 C53F20-E49 HydrophobicContact CB-CG 4.4Å; F20-E49 HydrophobicContact CD1-CB 4.01Å; F20-E49 HydrophobicContact CD1-CG 3.7Å; F20-E49 HydrophobicContact CD2-CG 3.81Å; F20-E49 HydrophobicContact CE1-CB 4.32Å; F20-E49 HydrophobicContact CE1-CG 3.71Å; F20-E49 HydrophobicContact CE2-CG 3.83Å; F20-E49 HydrophobicContact CG-CB 4.22Å; F20-E49 HydrophobicContact CG-CG 3.74Å; F20-E49 HydrophobicContact CZ-CG 3.74Å; L23-E49 HydrophobicContact CD1-CB 4.34Å; L23-E49 HydrophobicContact CD2-CB 4.47Å; T45-E49 PolarHBondContact O-N 3.03Å; T45-E49 VanDerWaalsContact O-N 3.13Å; V46-E49 PolarHBondContact O-N 2.82Å; V46-E49 VanDerWaalsContact O-N 3.17Å; A47-E49 VanDerWaalsContact C-N 3.26Å; A47-E49 PolarHBondContact O-N 2.95Å; E49-Y51 VanDerWaalsContact C-N 3.27Å; E49-Y51 PolarHBondContact O-N 3.11Å; E49-K52 WeakPolarHBondContact O-CB 3.49Å; E49-K52 PolarHBondContact O-N 3.46Å; E49-K52 VanDerWaalsContact O-N 3.14Å; E49-K52 IonicContact OE1-NZ 2.58Å; E49-K52 PolarHBondContact OE1-NZ 2.89Å; E49-K52 WeakPolarHBondContact OE2-CD 3.37Å; E49-K52 WeakPolarHBondContact OE2-CE 3.32Å; E49-K52 IonicContact OE2-NZ 2.76Å; E49-K52 PolarHBondContact OE2-NZ 2.74Å; E49-C53 PolarHBondContact O-N 3.33Å
50Y88.5Confident86.3Confident0 Ų051 Ų510%024%0.243CC..Hα-helixtrans-55.5-41.8169.5-83.6-73.5000112.1L23 P24 M26 V29 V46 A47 C53 N54 R55 D58 L62L23-Y50 HydrophobicContact CB-CE1 4.05Å; L23-Y50 HydrophobicContact CD1-CD1 3.95Å; L23-Y50 HydrophobicContact CD1-CE1 4.27Å; L23-Y50 HydrophobicContact CD1-CG 4.11Å; L23-Y50 HydrophobicContact CD2-CE2 4.47Å; P24-Y50 PolarHBondContact O-OH 3.14Å; M26-Y50 HydrophobicContact CB-CE1 4.48Å; V29-Y50 HydrophobicContact CG1-CE2 4.46Å; V29-Y50 VanDerWaalsContact CG2-OH 3.27Å; V29-Y50 WeakPolarHBondContact CG2-OH 3.49Å; V46-Y50 HydrophobicContact CG1-CD2 3.85Å; V46-Y50 HydrophobicContact CG1-CE2 3.65Å; V46-Y50 WeakPolarHBondContact O-CD2 3.43Å; V46-Y50 PolarHBondContact O-N 3.48Å; A47-Y50 WeakPolarHBondContact O-CB 3.37Å; A47-Y50 PolarHBondContact O-N 2.96Å; A47-Y50 VanDerWaalsContact O-N 3.14Å; Y50-C53 CarbonylContact O-C 3.5Å; Y50-C53 PolarHBondContact O-N 2.92Å; Y50-N54 PolarHBondContact O-N 2.95Å; Y50-R55 HydrophobicContact CD1-CB 4.12Å; Y50-R55 PolarHBondContact O-N 3.46Å; Y50-D58 HydrophobicContact CD1-CB 3.55Å; Y50-D58 WeakPolarHBondContact CD1-OD2 3.17Å; Y50-D58 HydrophobicContact CE1-CB 4.02Å; Y50-D58 WeakPolarHBondContact CE1-OD2 3.45Å; Y50-D58 HydrophobicContact CG-CB 3.94Å; Y50-L62 HydrophobicContact CD2-CD2 4.21Å; Y50-L62 HydrophobicContact CE2-CD2 4.35Å
51Y86.7Confident86.4Confident86 Ų8655.3 Ų55.334%0.33726%0.263SS..Hα-helixtrans-63-43.3175.1-177.8-94.2000112.7A47 E49 C53 N54 T56 F59 H91A47-Y51 PolarHBondContact O-N 2.71Å; E49-Y51 VanDerWaalsContact C-N 3.27Å; E49-Y51 PolarHBondContact O-N 3.11Å; Y51-C53 VanDerWaalsContact C-N 3.28Å; Y51-C53 PolarHBondContact O-N 3.17Å; Y51-N54 WeakPolarHBondContact O-CA 3.3Å; Y51-N54 PolarHBondContact O-N 3.39Å; Y51-T56 HydrophobicContact CD2-CG2 4.27Å; Y51-T56 HydrophobicContact CE2-CG2 4.34Å; Y51-F59 AromaticContact CD2-CD1 3.98Å; Y51-F59 HydrophobicContact CD2-CD1 3.98Å; Y51-F59 HydrophobicContact CD2-CE1 4.17Å; Y51-F59 HydrophobicContact CD2-CG 4.16Å; Y51-F59 HydrophobicContact CD2-CZ 4.48Å; Y51-H91 AromaticContact CE2-CE1 3.86Å; Y51-H91 AromaticContact CE2-ND1 3.71Å
52K85.5Confident86.5Confident125 Ų12548.9 Ų48.954%0.54324%0.239SC..Hα-helixtrans-62.8-33.6175.1-74.3159.6167.9176.70112.8I48 E49 N54I48-K52 HydrophobicContact CG2-CD 4.42Å; I48-K52 WeakPolarHBondContact O-CG 3.39Å; I48-K52 PolarHBondContact O-N 3.27Å; I48-K52 VanDerWaalsContact O-N 3.07Å; E49-K52 WeakPolarHBondContact O-CB 3.49Å; E49-K52 PolarHBondContact O-N 3.46Å; E49-K52 VanDerWaalsContact O-N 3.14Å; E49-K52 IonicContact OE1-NZ 2.58Å; E49-K52 PolarHBondContact OE1-NZ 2.89Å; E49-K52 WeakPolarHBondContact OE2-CD 3.37Å; E49-K52 WeakPolarHBondContact OE2-CE 3.32Å; E49-K52 IonicContact OE2-NZ 2.76Å; E49-K52 PolarHBondContact OE2-NZ 2.74Å; K52-N54 PolarHBondContact O-N 3.2Å
53C83.9Confident86.6Confident65 Ų6547.7 Ų47.744%0.43923%0.233SC..THydrogen-bonded Turntrans-79.714.2173-68.50000113.6L23 E49 Y50 Y51 R55L23-C53 HydrophobicContact CD1-CB 4.01Å; E49-C53 PolarHBondContact O-N 3.33Å; Y50-C53 CarbonylContact O-C 3.5Å; Y50-C53 PolarHBondContact O-N 2.92Å; Y51-C53 VanDerWaalsContact C-N 3.28Å; Y51-C53 PolarHBondContact O-N 3.17Å; C53-R55 PolarHBondContact O-N 3.34Å; C53-R55 VanDerWaalsContact O-N 3.09Å
54N81.5Confident86.5Confident139 Ų13950.2 Ų50.274%0.74324%0.244SC*.THydrogen-bonded Turntrans5910.3-177.5-60.1-55.7000115.5Y50 Y51 K52 T56Y50-N54 PolarHBondContact O-N 2.95Å; Y51-N54 WeakPolarHBondContact O-CA 3.3Å; Y51-N54 PolarHBondContact O-N 3.39Å; K52-N54 PolarHBondContact O-N 3.2Å; N54-T56 VanDerWaalsContact C-N 3.26Å; N54-T56 PolarHBondContact O-N 3.5Å
55R85.1Confident86.4Confident103 Ų10351 Ų5139%0.38925%0.25SS..  trans-8272.3175.5-58.9-161.7-162.31578.4110L23 P24 Y50 C53 E57 D58 F59L23-R55 PolarHBondContact O-NH1 2.94Å; L23-R55 PolarHBondContact O-NH2 3.06Å; P24-R55 PolarHBondContact O-NH1 3.48Å; Y50-R55 HydrophobicContact CD1-CB 4.12Å; Y50-R55 PolarHBondContact O-N 3.46Å; C53-R55 PolarHBondContact O-N 3.34Å; C53-R55 VanDerWaalsContact O-N 3.09Å; R55-E57 VanDerWaalsContact C-N 3.33Å; R55-E57 PolarHBondContact O-N 3.25Å; R55-D58 HydrophobicContact CB-CB 4.04Å; R55-D58 WeakPolarHBondContact CB-OD2 3.4Å; R55-D58 WeakPolarHBondContact CD-OD2 3.47Å; R55-D58 IonicContact NH1-OD2 2.7Å; R55-D58 PolarHBondContact O-N 2.83Å; R55-F59 PolarHBondContact O-N 2.91Å; R55-F59 VanDerWaalsContact O-N 3.13Å
56T83.5Confident86.2Confident44 Ų4449.2 Ų49.227%0.2724%0.239SC..Hα-helixtrans-68.8-27.8-173.1520000114Y51 N54 I60Y51-T56 HydrophobicContact CD2-CG2 4.27Å; Y51-T56 HydrophobicContact CE2-CG2 4.34Å; N54-T56 VanDerWaalsContact C-N 3.26Å; N54-T56 PolarHBondContact O-N 3.5Å; T56-I60 VanDerWaalsContact O-CG1 3.31Å; T56-I60 WeakPolarHBondContact O-CG1 3.45Å; T56-I60 PolarHBondContact O-N 3.48Å
57E85.5Confident85.7Confident146 Ų14652 Ų5268%0.68227%0.268SS*.Hα-helixtrans-72.4-43.7176.6-63.3-178.2163.500111.2R55 F59 I60 H61R55-E57 VanDerWaalsContact C-N 3.33Å; R55-E57 PolarHBondContact O-N 3.25Å; E57-F59 VanDerWaalsContact C-N 3.29Å; E57-F59 PolarHBondContact O-N 2.86Å; E57-I60 PolarHBondContact O-N 3.24Å; E57-H61 WeakPolarHBondContact O-CB 3.16Å; E57-H61 PolarHBondContact O-CD2 3.42Å; E57-H61 VanDerWaalsContact O-CD2 3.3Å; E57-H61 PolarHBondContact O-N 3.41Å
58D87.8Confident85.2Confident34 Ų3461.8 Ų61.818%0.18231%0.305CS..Hα-helixtrans-55.9-44.2170.5-70.2-20.2000111.2M26 Y50 R55 H61 L62M26-D58 HydrophobicContact CB-CB 3.87Å; M26-D58 VanDerWaalsContact CB-OD1 3.25Å; M26-D58 WeakPolarHBondContact CB-OD1 3.48Å; M26-D58 HydrophobicContact CG-CB 4.07Å; Y50-D58 HydrophobicContact CD1-CB 3.55Å; Y50-D58 WeakPolarHBondContact CD1-OD2 3.17Å; Y50-D58 HydrophobicContact CE1-CB 4.02Å; Y50-D58 WeakPolarHBondContact CE1-OD2 3.45Å; Y50-D58 HydrophobicContact CG-CB 3.94Å; R55-D58 HydrophobicContact CB-CB 4.04Å; R55-D58 WeakPolarHBondContact CB-OD2 3.4Å; R55-D58 WeakPolarHBondContact CD-OD2 3.47Å; R55-D58 IonicContact NH1-OD2 2.7Å; R55-D58 PolarHBondContact O-N 2.83Å; D58-H61 PolarHBondContact O-N 2.96Å; D58-L62 VanDerWaalsContact O-CB 3.28Å; D58-L62 WeakPolarHBondContact O-CB 3.28Å; D58-L62 PolarHBondContact O-N 3.45Å
59F89.9Confident84.6Confident10 Ų1063.4 Ų63.44%0.04431%0.312CS..Hα-helixtrans-60.1-46.6176.3165-101.4000113.1A47 Y51 R55 E57 L63 H91A47-F59 HydrophobicContact CB-CD2 3.8Å; A47-F59 HydrophobicContact CB-CE2 4.24Å; A47-F59 VanDerWaalsContact O-CD2 3.27Å; A47-F59 WeakPolarHBondContact O-CD2 3.35Å; Y51-F59 AromaticContact CD2-CD1 3.98Å; Y51-F59 HydrophobicContact CD2-CD1 3.98Å; Y51-F59 HydrophobicContact CD2-CE1 4.17Å; Y51-F59 HydrophobicContact CD2-CG 4.16Å; Y51-F59 HydrophobicContact CD2-CZ 4.48Å; R55-F59 PolarHBondContact O-N 2.91Å; R55-F59 VanDerWaalsContact O-N 3.13Å; E57-F59 VanDerWaalsContact C-N 3.29Å; E57-F59 PolarHBondContact O-N 2.86Å; F59-L63 HydrophobicContact CD2-CD1 4.1Å; F59-L63 HydrophobicContact CE1-CD1 4.1Å; F59-L63 HydrophobicContact CE2-CD1 3.46Å; F59-L63 VanDerWaalsContact CE2-CD1 3.46Å; F59-L63 HydrophobicContact CE2-CG 4.3Å; F59-L63 HydrophobicContact CZ-CD1 3.45Å; F59-L63 VanDerWaalsContact CZ-CD1 3.45Å; F59-L63 PolarHBondContact O-N 3.01Å; F59-H91 AromaticContact CD1-CD2 3.87Å; F59-H91 HydrophobicContact CE1-CB 3.68Å; F59-H91 AromaticContact CE1-CD2 3.68Å; F59-H91 AromaticContact CE1-CG 3.57Å; F59-H91 HydrophobicContact CZ-CB 4.38Å
60I87.9Confident83.8Confident22 Ų2262.3 Ų62.311%0.11331%0.309CS..Hα-helixtrans-62.8-51.7177.1-69.5163.1000109.9T56 E57 L62 L63 E64 L88T56-I60 VanDerWaalsContact O-CG1 3.31Å; T56-I60 WeakPolarHBondContact O-CG1 3.45Å; T56-I60 PolarHBondContact O-N 3.48Å; E57-I60 PolarHBondContact O-N 3.24Å; I60-L62 VanDerWaalsContact C-N 3.34Å; I60-L62 PolarHBondContact O-N 3.08Å; I60-L63 PolarHBondContact O-N 2.91Å; I60-E64 HydrophobicContact CG2-CG 4.28Å; I60-E64 WeakPolarHBondContact O-CB 3.35Å; I60-E64 WeakPolarHBondContact O-CG 3.45Å; I60-E64 PolarHBondContact O-N 2.91Å; I60-L88 HydrophobicContact CG2-CD1 4.32Å
61H85.8Confident82.8Confident95 Ų9566 Ų6644%0.4433%0.328SS..Hα-helixtrans-62.7-39.4-176.6-76.9-48.9000112.5M26 E57 D58 E64 C65M26-H61 HydrophobicContact CE-CB 3.63Å; M26-H61 HydrophobicContact SD-CB 4.24Å; E57-H61 WeakPolarHBondContact O-CB 3.16Å; E57-H61 PolarHBondContact O-CD2 3.42Å; E57-H61 VanDerWaalsContact O-CD2 3.3Å; E57-H61 PolarHBondContact O-N 3.41Å; D58-H61 PolarHBondContact O-N 2.96Å; H61-E64 PolarHBondContact O-N 3.23Å; H61-C65 WeakPolarHBondContact O-CB 3.3Å; H61-C65 PolarHBondContact O-N 3.46Å; H61-C65 PolarHBondContact O-SG 2.97Å
62L87.2Confident81.9Confident0 Ų065.6 Ų65.60%033%0.334CS..Hα-helixtrans-67.1-39.4179.3-167.164.4000112.1L33 W43 V46 A47 Y50 D58 I60 C65 S66L33-L62 HydrophobicContact CD1-CD1 3.91Å; L33-L62 HydrophobicContact CD1-CD2 4.35Å; W43-L62 HydrophobicContact CE3-CD1 3.59Å; W43-L62 HydrophobicContact CE3-CG 4.06Å; W43-L62 HydrophobicContact CZ3-CD1 3.75Å; V46-L62 HydrophobicContact CB-CD2 4.06Å; V46-L62 HydrophobicContact CG1-CD2 3.55Å; A47-L62 HydrophobicContact CB-CD2 4.09Å; Y50-L62 HydrophobicContact CD2-CD2 4.21Å; Y50-L62 HydrophobicContact CE2-CD2 4.35Å; D58-L62 VanDerWaalsContact O-CB 3.28Å; D58-L62 WeakPolarHBondContact O-CB 3.28Å; D58-L62 PolarHBondContact O-N 3.45Å; I60-L62 VanDerWaalsContact C-N 3.34Å; I60-L62 PolarHBondContact O-N 3.08Å; L62-C65 PolarHBondContact O-N 3.19Å; L62-S66 WeakPolarHBondContact O-CB 3.38Å; L62-S66 PolarHBondContact O-N 3.41Å
63L87.2Confident80.9Confident6 Ų663.2 Ų63.23%0.03135%0.345CS..Hα-helixtrans-71-37.1173.9-70.4-180000113.1I44 A47 F59 I60 C65 S66 G67 A84 L88I44-L63 HydrophobicContact CG1-CD2 4.27Å; A47-L63 HydrophobicContact CB-CD2 3.96Å; A47-L63 HydrophobicContact CB-CG 3.97Å; F59-L63 HydrophobicContact CD2-CD1 4.1Å; F59-L63 HydrophobicContact CE1-CD1 4.1Å; F59-L63 HydrophobicContact CE2-CD1 3.46Å; F59-L63 VanDerWaalsContact CE2-CD1 3.46Å; F59-L63 HydrophobicContact CE2-CG 4.3Å; F59-L63 HydrophobicContact CZ-CD1 3.45Å; F59-L63 VanDerWaalsContact CZ-CD1 3.45Å; F59-L63 PolarHBondContact O-N 3.01Å; I60-L63 PolarHBondContact O-N 2.91Å; L63-C65 VanDerWaalsContact C-N 3.29Å; L63-C65 PolarHBondContact O-N 3.29Å; L63-S66 PolarHBondContact O-N 3.4Å; L63-S66 PolarHBondContact O-OG 3.42Å; L63-S66 VanDerWaalsContact O-OG 3.08Å; L63-G67 PolarHBondContact O-N 3.26Å; L63-A84 HydrophobicContact CD2-CB 4.35Å; L63-L88 HydrophobicContact CB-CD1 4.26Å; L63-L88 HydrophobicContact CD1-CB 4.23Å
64E86.2Confident80.2Confident54 Ų5462 Ų6225%0.25233%0.332SS..Hα-helixtrans-68.1-29.5175-73.9-170.8171.600112.5I60 H61 L88 Y92I60-E64 HydrophobicContact CG2-CG 4.28Å; I60-E64 WeakPolarHBondContact O-CB 3.35Å; I60-E64 WeakPolarHBondContact O-CG 3.45Å; I60-E64 PolarHBondContact O-N 2.91Å; H61-E64 PolarHBondContact O-N 3.23Å; E64-L88 HydrophobicContact CG-CD1 4.27Å; E64-L88 HydrophobicContact CG-CD2 3.87Å; E64-Y92 PolarHBondContact OE1-OH 2.78Å
65C84.5Confident79.3Confident21 Ų2161 Ų6114%0.14233%0.333CS..Hα-helixtrans-75.8-40.8170.2-63.90000111.7K30 W43 H61 L62 L63 G67 R68 E69K30-C65 HydrophobicContact CD-CB 4.46Å; K30-C65 PolarHBondContact NZ-SG 3.4Å; W43-C65 HydrophobicContact CH2-CB 4.5Å; W43-C65 HydrophobicContact CZ3-CB 3.8Å; H61-C65 WeakPolarHBondContact O-CB 3.3Å; H61-C65 PolarHBondContact O-N 3.46Å; H61-C65 PolarHBondContact O-SG 2.97Å; L62-C65 PolarHBondContact O-N 3.19Å; L63-C65 VanDerWaalsContact C-N 3.29Å; L63-C65 PolarHBondContact O-N 3.29Å; C65-G67 PolarHBondContact O-N 3.38Å; C65-R68 PolarHBondContact O-N 3.36Å; C65-E69 PolarHBondContact O-N 2.92Å
66S82.5Confident78.5Confident3 Ų363.1 Ų63.12%0.02135%0.347CS..Hα-helixtrans-62.7-29.8-178.882.30000112.6L40 W43 L62 L63 R68 A70L40-S66 VanDerWaalsContact CD1-CB 3.48Å; L40-S66 WeakPolarHBondContact CD1-OG 3.45Å; W43-S66 VanDerWaalsContact CE3-CB 3.47Å; L62-S66 WeakPolarHBondContact O-CB 3.38Å; L62-S66 PolarHBondContact O-N 3.41Å; L63-S66 PolarHBondContact O-N 3.4Å; L63-S66 PolarHBondContact O-OG 3.42Å; L63-S66 VanDerWaalsContact O-OG 3.08Å; S66-R68 PolarHBondContact O-N 2.84Å; S66-A70 VanDerWaalsContact O-CB 3.28Å; S66-A70 WeakPolarHBondContact O-CB 3.39Å
67G76.6Confident78.2Confident59 Ų5961.8 Ų61.861%0.60834%0.34SS*.Hα-helixtrans-74.1-3.4172.300000115.8L63 C65L63-G67 PolarHBondContact O-N 3.26Å; C65-G67 PolarHBondContact O-N 3.38Å
68R78.1Confident78Confident204 Ų20460.3 Ų60.377%0.7733%0.333SS*.Hα-helixtrans-125.7-34.3-177-63.6-179.2-168.4171.87.8114.3C65 S66C65-R68 PolarHBondContact O-N 3.36Å; S66-R68 PolarHBondContact O-N 2.84Å
69E75.2Confident77.7Confident82 Ų8261 Ų6138%0.38334%0.343SS..Hα-helixtrans-123.2-12.8-164-55.8166.2177.500113.6K30 L34 C65K30-E69 WeakPolarHBondContact CE-OE2 3.21Å; K30-E69 IonicContact NZ-OE1 3.74Å; K30-E69 PolarHBondContact NZ-OE1 3.26Å; K30-E69 IonicContact NZ-OE2 2.71Å; K30-E69 PolarHBondContact NZ-OE2 3Å; L34-E69 HydrophobicContact CD2-CB 3.68Å; C65-E69 PolarHBondContact O-N 2.92Å
70A71Confident77.4Confident11 Ų1161.1 Ų61.19%0.09134%0.344CS..SBendtrans-75.5155.2179.100000112.4L40 W43 S66 V72L40-A70 HydrophobicContact CB-CB 4.35Å; L40-A70 HydrophobicContact CD1-CB 4.12Å; W43-A70 HydrophobicContact CD2-CB 4.23Å; W43-A70 HydrophobicContact CG-CB 4.4Å; W43-A70 HydrophobicContact CZ2-CB 4.26Å; S66-A70 VanDerWaalsContact O-CB 3.28Å; S66-A70 WeakPolarHBondContact O-CB 3.39Å; A70-V72 PolarHBondContact O-N 3.25Å; A70-V72 VanDerWaalsContact O-N 3.17Å
71N68Low77.3Confident77 Ų7763.3 Ų63.341%0.41235%0.354SS..BIsolated β-bridgetrans-76.9103.7-178.5-171.7-3.3000111.4K37 G73 Y74K37-N71 PolarHBondContact O-ND2 2.99Å; N71-G73 VanDerWaalsContact C-N 3.28Å; N71-G73 PolarHBondContact O-N 2.93Å; N71-G73 PolarHBondContact OD1-N 3.11Å; N71-Y74 VanDerWaalsContact O-CD1 3.29Å; N71-Y74 WeakPolarHBondContact O-CD1 3.39Å; N71-Y74 WeakPolarHBondContact O-CE1 3.47Å
72V66.7Low77.3Confident77 Ų7758.9 Ų58.947%0.46733%0.334SS..  trans-79.4-7.1-177.4-1680000112.8A70 Y74 S77A70-V72 PolarHBondContact O-N 3.25Å; A70-V72 VanDerWaalsContact O-N 3.17Å; V72-Y74 VanDerWaalsContact C-N 3.28Å; V72-Y74 PolarHBondContact O-N 3.5Å; V72-S77 WeakPolarHBondContact O-CB 3.41Å; V72-S77 PolarHBondContact O-OG 3.16Å
73G65.6Low77.3Confident75 Ų7564.4 Ų64.477%0.77335%0.354SS*.  trans-75.812.1-167.700000117.9N71N71-G73 VanDerWaalsContact C-N 3.28Å; N71-G73 PolarHBondContact O-N 2.93Å; N71-G73 PolarHBondContact OD1-N 3.11Å
74Y69.1Low77.3Confident40 Ų4064.5 Ų64.516%0.15736%0.356CS..SBendtrans-108.6156.1-174.474.3-81.2000113.4R39 L40 R41 N71 V72 S77 D80R39-Y74 HydrophobicContact CB-CD1 4.3Å; R39-Y74 HydrophobicContact CB-CE1 4Å; R39-Y74 HydrophobicContact CB-CE2 4.27Å; R39-Y74 HydrophobicContact CG-CG 4.48Å; L40-Y74 HydrophobicContact CB-CE1 3.93Å; L40-Y74 WeakPolarHBondContact CB-OH 3.34Å; L40-Y74 PolarHBondContact N-OH 2.9Å; R41-Y74 PolarHBondContact N-OH 3.42Å; R41-Y74 VanDerWaalsContact N-OH 3.08Å; N71-Y74 VanDerWaalsContact O-CD1 3.29Å; N71-Y74 WeakPolarHBondContact O-CD1 3.39Å; N71-Y74 WeakPolarHBondContact O-CE1 3.47Å; V72-Y74 VanDerWaalsContact C-N 3.28Å; V72-Y74 PolarHBondContact O-N 3.5Å; Y74-S77 VanDerWaalsContact O-CB 3.22Å; Y74-S77 WeakPolarHBondContact O-CB 3.35Å; Y74-S77 PolarHBondContact O-N 2.82Å; Y74-S77 PolarHBondContact O-OG 2.94Å; Y74-D80 WeakPolarHBondContact OH-CB 3.39Å; Y74-D80 PolarHBondContact OH-OD2 3.23Å
75P62.2Low77.4Confident118 Ų11863.3 Ų63.377%0.76635%0.351SS*.THydrogen-bonded Turntrans-58143.5175.5-23.734.5000112.4S77P75-S77 VanDerWaalsContact C-N 3.26Å; P75-S77 PolarHBondContact O-N 2.87Å
76E68.8Low77.6Confident147 Ų14762.9 Ų62.969%0.68735%0.348SS*.THydrogen-bonded Turntrans70.72-173.2-47.7-168.713900116.1Q78 A79 D80E76-Q78 PolarHBondContact O-N 3.11Å; E76-Q78 VanDerWaalsContact O-N 3.1Å; E76-A79 WeakPolarHBondContact O-CB 3.24Å; E76-A79 PolarHBondContact O-N 3.24Å; E76-D80 PolarHBondContact O-N 3.21Å
77S77.4Confident77.9Confident17 Ų1764.6 Ų64.612%0.11936%0.358CS..Hα-helixtrans-55.8-32.1-178.264.30000115.1V72 Y74 P75 A79 D80 Q81V72-S77 WeakPolarHBondContact O-CB 3.41Å; V72-S77 PolarHBondContact O-OG 3.16Å; Y74-S77 VanDerWaalsContact O-CB 3.22Å; Y74-S77 WeakPolarHBondContact O-CB 3.35Å; Y74-S77 PolarHBondContact O-N 2.82Å; Y74-S77 PolarHBondContact O-OG 2.94Å; P75-S77 VanDerWaalsContact C-N 3.26Å; P75-S77 PolarHBondContact O-N 2.87Å; S77-A79 VanDerWaalsContact C-N 3.33Å; S77-A79 PolarHBondContact O-N 3.35Å; S77-D80 PolarHBondContact O-N 3.25Å; S77-Q81 VanDerWaalsContact O-CB 3.24Å; S77-Q81 WeakPolarHBondContact O-CB 3.43Å; S77-Q81 PolarHBondContact O-N 2.83Å
78Q80.4Confident78.6Confident115 Ų11562.3 Ų62.354%0.53733%0.332SS..Hα-helixtrans-62.9-35.3173.7-72.2-177.2-2700113.2E76 L82 I122E76-Q78 PolarHBondContact O-N 3.11Å; E76-Q78 VanDerWaalsContact O-N 3.1Å; Q78-L82 WeakPolarHBondContact O-CB 3.12Å; Q78-L82 PolarHBondContact O-N 3.44Å; Q78-I122 HydrophobicContact CB-CG2 4.04Å
79A81.8Confident79.2Confident48 Ų4852.6 Ų52.640%0.39730%0.295SS..Hα-helixtrans-75-41.2179.200000111.3E76 S77 Q81 L82 R83E76-A79 WeakPolarHBondContact O-CB 3.24Å; E76-A79 PolarHBondContact O-N 3.24Å; S77-A79 VanDerWaalsContact C-N 3.33Å; S77-A79 PolarHBondContact O-N 3.35Å; A79-Q81 VanDerWaalsContact C-N 3.35Å; A79-L82 PolarHBondContact O-N 2.81Å; A79-R83 VanDerWaalsContact O-CB 3.27Å; A79-R83 WeakPolarHBondContact O-CB 3.3Å; A79-R83 PolarHBondContact O-N 3.01Å
80D84Confident79.8Confident12 Ų1250.5 Ų50.56%0.06429%0.292CS..Hα-helixtrans-67.4-35172.1-77-45.2000111.7L40 R41 I44 Y74 E76 S77 R83 A84L40-D80 HydrophobicContact CD2-CB 4.3Å; L40-D80 HydrophobicContact CG-CB 4.22Å; R41-D80 WeakPolarHBondContact CB-OD2 3.43Å; I44-D80 HydrophobicContact CD1-CB 3.86Å; I44-D80 WeakPolarHBondContact CD1-O 3.32Å; Y74-D80 WeakPolarHBondContact OH-CB 3.39Å; Y74-D80 PolarHBondContact OH-OD2 3.23Å; E76-D80 PolarHBondContact O-N 3.21Å; S77-D80 PolarHBondContact O-N 3.25Å; D80-R83 PolarHBondContact O-N 2.84Å; D80-A84 WeakPolarHBondContact O-CB 3.42Å; D80-A84 PolarHBondContact O-N 2.93Å
81Q84.5Confident80.7Confident69 Ų6950.3 Ų50.332%0.32229%0.29SS..Hα-helixtrans-63.6-46.9173.7-173.1-177.87.700112.1L40 S77 A79 R83 A84 L85 I122L40-Q81 HydrophobicContact CD2-CB 3.97Å; S77-Q81 VanDerWaalsContact O-CB 3.24Å; S77-Q81 WeakPolarHBondContact O-CB 3.43Å; S77-Q81 PolarHBondContact O-N 2.83Å; A79-Q81 VanDerWaalsContact C-N 3.35Å; Q81-R83 VanDerWaalsContact C-N 3.33Å; Q81-R83 PolarHBondContact O-N 3.11Å; Q81-A84 PolarHBondContact O-N 3.01Å; Q81-L85 HydrophobicContact CG-CD1 4.47Å; Q81-L85 WeakPolarHBondContact O-CG 3.43Å; Q81-L85 PolarHBondContact O-N 3.37Å; Q81-I122 HydrophobicContact CB-CD1 4.26Å; Q81-I122 HydrophobicContact CG-CD1 3.76Å
82L86.6Confident81.7Confident1 Ų147 Ų471%0.00527%0.271CS..Hα-helixtrans-59.1-46.1173.9176.852.5000111.1Q78 A79 A84 L85 D86 A119 I122 H123 E126 H129Q78-L82 WeakPolarHBondContact O-CB 3.12Å; Q78-L82 PolarHBondContact O-N 3.44Å; A79-L82 PolarHBondContact O-N 2.81Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 2.77Å; L82-L85 PolarHBondContact O-N 3.25Å; L82-D86 WeakPolarHBondContact O-CB 3.22Å; L82-D86 PolarHBondContact O-N 2.75Å; L82-A119 HydrophobicContact CD1-CB 3.41Å; L82-A119 VanDerWaalsContact CD1-CB 3.41Å; L82-I122 HydrophobicContact CB-CG2 4.41Å; L82-H123 HydrophobicContact CD2-CB 3.79Å; L82-E126 HydrophobicContact CD2-CB 3.64Å; L82-E126 HydrophobicContact CD2-CG 4.15Å; L82-H129 HydrophobicContact CD1-CB 4.35Å
83R86.1Confident82.8Confident116 Ų11643.4 Ų43.444%0.43825%0.249SC..Hα-helixtrans-59.2-40.2176.4-177-179.6-177.7173.11.8113.1A79 D80 Q81 T87A79-R83 VanDerWaalsContact O-CB 3.27Å; A79-R83 WeakPolarHBondContact O-CB 3.3Å; A79-R83 PolarHBondContact O-N 3.01Å; D80-R83 PolarHBondContact O-N 2.84Å; Q81-R83 VanDerWaalsContact C-N 3.33Å; Q81-R83 PolarHBondContact O-N 3.11Å; R83-T87 WeakPolarHBondContact O-CG2 3.45Å; R83-T87 PolarHBondContact O-N 3.45Å; R83-T87 PolarHBondContact O-OG1 3.36Å; R83-T87 VanDerWaalsContact O-OG1 3.1Å
84A87.5Confident83.7Confident9 Ų943.6 Ų43.67%0.07423%0.231CC..Hα-helixtrans-67.1-41.2176.400000112.2I44 L63 D80 Q81 L82 T87 L88I44-A84 HydrophobicContact CD1-CB 3.94Å; I44-A84 HydrophobicContact CG1-CB 3.99Å; L63-A84 HydrophobicContact CD2-CB 4.35Å; D80-A84 WeakPolarHBondContact O-CB 3.42Å; D80-A84 PolarHBondContact O-N 2.93Å; Q81-A84 PolarHBondContact O-N 3.01Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 2.77Å; A84-T87 PolarHBondContact O-OG1 2.88Å; A84-T87 VanDerWaalsContact O-OG1 3.09Å; A84-L88 WeakPolarHBondContact O-CB 3.36Å; A84-L88 PolarHBondContact O-N 3.41Å; A84-L88 VanDerWaalsContact O-N 3.12Å
85L89.6Confident84.5Confident28 Ų2843.5 Ų43.515%0.14723%0.233CC..Hα-helixtrans-64.7-44175-68.8171000111.3Q81 L82 L88 A89 L115 A119 I122Q81-L85 HydrophobicContact CG-CD1 4.47Å; Q81-L85 WeakPolarHBondContact O-CG 3.43Å; Q81-L85 PolarHBondContact O-N 3.37Å; L82-L85 PolarHBondContact O-N 3.25Å; L85-L88 PolarHBondContact O-N 2.73Å; L85-A89 WeakPolarHBondContact O-CB 3.07Å; L85-A89 PolarHBondContact O-N 3Å; L85-L115 HydrophobicContact CD2-CD2 3.67Å; L85-A119 HydrophobicContact CB-CB 4.21Å; L85-A119 HydrophobicContact CD1-CB 4.28Å; L85-I122 HydrophobicContact CD1-CD1 3.75Å
86D88.4Confident85.6Confident12 Ų1238 Ų386%0.06420%0.197CC..Hα-helixtrans-66.6-39.7179.2-83.5-18.3000113L82 A90 Y116 H129L82-D86 WeakPolarHBondContact O-CB 3.22Å; L82-D86 PolarHBondContact O-N 2.75Å; D86-A90 WeakPolarHBondContact O-CB 3.38Å; D86-A90 PolarHBondContact O-N 2.68Å; D86-Y116 WeakPolarHBondContact OD1-CE1 3.34Å; D86-H129 IonicContact OD1-CE1 2.99Å; D86-H129 IonicContact OD1-CG 2.61Å; D86-H129 IonicContact OD1-ND1 2.71Å; D86-H129 PolarHBondContact OD1-ND1 3.38Å; D86-H129 WeakPolarHBondContact OD2-CA 3.47Å; D86-H129 WeakPolarHBondContact OD2-CB 3.44Å; D86-H129 IonicContact OD2-CG 2.63Å; D86-H129 PolarHBondContact OD2-N 3.43Å; D86-H129 IonicContact OD2-ND1 3.76Å
87T89Confident86.2Confident40 Ų4035.5 Ų35.525%0.24519%0.185CC..Hα-helixtrans-68.1-41176.452.30000111.7R83 A84 H91R83-T87 WeakPolarHBondContact O-CG2 3.45Å; R83-T87 PolarHBondContact O-N 3.45Å; R83-T87 PolarHBondContact O-OG1 3.36Å; R83-T87 VanDerWaalsContact O-OG1 3.1Å; A84-T87 PolarHBondContact O-OG1 2.88Å; A84-T87 VanDerWaalsContact O-OG1 3.09Å; T87-H91 WeakPolarHBondContact O-CB 3.18Å; T87-H91 PolarHBondContact O-N 2.9Å
88L90.2Very high86.3Confident10 Ų1041.7 Ų41.75%0.05221%0.21CC..Hα-helixtrans-64.9-45.3175.1-173.965.1000111.2I60 L63 E64 A84 L85 H91 Y92 L115I60-L88 HydrophobicContact CG2-CD1 4.32Å; L63-L88 HydrophobicContact CB-CD1 4.26Å; L63-L88 HydrophobicContact CD1-CB 4.23Å; E64-L88 HydrophobicContact CG-CD1 4.27Å; E64-L88 HydrophobicContact CG-CD2 3.87Å; A84-L88 WeakPolarHBondContact O-CB 3.36Å; A84-L88 PolarHBondContact O-N 3.41Å; A84-L88 VanDerWaalsContact O-N 3.12Å; L85-L88 PolarHBondContact O-N 2.73Å; L88-H91 PolarHBondContact O-N 2.66Å; L88-Y92 HydrophobicContact CD1-CD2 4.22Å; L88-Y92 HydrophobicContact CD1-CE2 3.81Å; L88-Y92 HydrophobicContact CD2-CE2 4.31Å; L88-Y92 HydrophobicContact CG-CD2 4Å; L88-Y92 HydrophobicContact CG-CE2 3.82Å; L88-Y92 WeakPolarHBondContact O-CD2 3.17Å; L88-Y92 PolarHBondContact O-N 2.85Å; L88-L115 HydrophobicContact CB-CD1 4.21Å; L88-L115 HydrophobicContact CD2-CD1 3.78Å; L88-L115 HydrophobicContact CD2-CD2 3.95Å; L88-L115 HydrophobicContact CG-CD1 3.72Å
89A90.6Very high86.3Confident0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-63.6-46.5177.400000111.9L85 H91 Y92 L93 L115 Y116L85-A89 WeakPolarHBondContact O-CB 3.07Å; L85-A89 PolarHBondContact O-N 3Å; A89-H91 VanDerWaalsContact C-N 3.31Å; A89-H91 PolarHBondContact O-N 2.76Å; A89-Y92 CarbonylContact O-C 3.57Å; A89-Y92 PolarHBondContact O-N 3.1Å; A89-Y92 VanDerWaalsContact O-N 3.14Å; A89-L93 WeakPolarHBondContact O-CG 3.45Å; A89-L93 PolarHBondContact O-N 3.41Å; A89-L115 HydrophobicContact CB-CB 3.8Å; A89-L115 HydrophobicContact CB-CD1 4.19Å; A89-Y116 HydrophobicContact CB-CD1 4.08Å; A89-Y116 HydrophobicContact CB-CD2 4.09Å; A89-Y116 HydrophobicContact CB-CE1 3.69Å; A89-Y116 HydrophobicContact CB-CE2 3.7Å; A89-Y116 HydrophobicContact CB-CG 4.26Å; A89-Y116 VanDerWaalsContact CB-CZ 3.46Å
90A87.8Confident85.6Confident39 Ų3944.1 Ų44.132%0.32221%0.207SC..Hα-helixtrans-62.5-37.2177.200000112.1D86 L93 M94 Y116D86-A90 WeakPolarHBondContact O-CB 3.38Å; D86-A90 PolarHBondContact O-N 2.68Å; A90-L93 WeakPolarHBondContact O-CB 3.37Å; A90-L93 PolarHBondContact O-N 2.83Å; A90-M94 WeakPolarHBondContact O-CG 3.36Å; A90-M94 PolarHBondContact O-N 3.08Å; A90-Y116 PolarHBondContact N-OH 3.4Å
91H89.6Confident85.1Confident7 Ų750.1 Ų50.13%0.03223%0.232CC..Hα-helixtrans-67.1-40.9173.1-173.760000112Y51 F59 T87 L88 A89 L93 M94 M95Y51-H91 AromaticContact CE2-CE1 3.86Å; Y51-H91 AromaticContact CE2-ND1 3.71Å; F59-H91 AromaticContact CD1-CD2 3.87Å; F59-H91 HydrophobicContact CE1-CB 3.68Å; F59-H91 AromaticContact CE1-CD2 3.68Å; F59-H91 AromaticContact CE1-CG 3.57Å; F59-H91 HydrophobicContact CZ-CB 4.38Å; T87-H91 WeakPolarHBondContact O-CB 3.18Å; T87-H91 PolarHBondContact O-N 2.9Å; L88-H91 PolarHBondContact O-N 2.66Å; A89-H91 VanDerWaalsContact C-N 3.31Å; A89-H91 PolarHBondContact O-N 2.76Å; H91-L93 VanDerWaalsContact C-N 3.3Å; H91-L93 PolarHBondContact O-N 3.36Å; H91-M94 WeakPolarHBondContact O-CB 3.33Å; H91-M94 PolarHBondContact O-N 3.41Å; H91-M94 VanDerWaalsContact O-N 3.09Å; H91-M95 WeakPolarHBondContact O-CG 3.41Å; H91-M95 PolarHBondContact O-N 3Å
92Y90.8Very high84.6Confident8 Ų855.1 Ų55.13%0.03126%0.255CS..Hα-helixtrans-62.9-33.2172.8-79.7-48.6000112.7E64 L88 A89 M95 A96 F108 K111 L115E64-Y92 PolarHBondContact OE1-OH 2.78Å; L88-Y92 HydrophobicContact CD1-CD2 4.22Å; L88-Y92 HydrophobicContact CD1-CE2 3.81Å; L88-Y92 HydrophobicContact CD2-CE2 4.31Å; L88-Y92 HydrophobicContact CG-CD2 4Å; L88-Y92 HydrophobicContact CG-CE2 3.82Å; L88-Y92 WeakPolarHBondContact O-CD2 3.17Å; L88-Y92 PolarHBondContact O-N 2.85Å; A89-Y92 CarbonylContact O-C 3.57Å; A89-Y92 PolarHBondContact O-N 3.1Å; A89-Y92 VanDerWaalsContact O-N 3.14Å; Y92-M95 PolarHBondContact O-N 3.09Å; Y92-A96 WeakPolarHBondContact O-CB 3.19Å; Y92-A96 PolarHBondContact O-N 3.36Å; Y92-F108 AromaticContact CD1-CD1 3.41Å; Y92-F108 HydrophobicContact CD1-CD1 3.41Å; Y92-F108 VanDerWaalsContact CD1-CD1 3.41Å; Y92-F108 AromaticContact CD1-CE1 3.88Å; Y92-F108 HydrophobicContact CD1-CE1 3.88Å; Y92-F108 HydrophobicContact CD1-CG 4.46Å; Y92-F108 AromaticContact CE1-CD1 3.74Å; Y92-F108 HydrophobicContact CE1-CD1 3.74Å; Y92-F108 AromaticContact CE1-CE1 3.8Å; Y92-F108 HydrophobicContact CE1-CE1 3.8Å; Y92-F108 HydrophobicContact CG-CD1 4.44Å; Y92-K111 HydrophobicContact CD1-CD 4.32Å; Y92-K111 HydrophobicContact CD2-CB 4.16Å; Y92-K111 HydrophobicContact CE1-CD 3.81Å; Y92-K111 HydrophobicContact CE2-CB 4.32Å; Y92-K111 HydrophobicContact CE2-CD 4.07Å; Y92-K111 HydrophobicContact CG-CB 4.36Å; Y92-K111 PolarHBondContact OH-NZ 3.07Å; Y92-K111 VanDerWaalsContact OH-NZ 3.11Å; Y92-L115 HydrophobicContact CD2-CD1 3.63Å; Y92-L115 HydrophobicContact CE2-CD1 3.99Å
93L88.2Confident84.2Confident0 Ų061.7 Ų61.70%029%0.286CS..Hα-helixtrans-62.6-44.8168.1-61.8-176.4000112.2A89 A90 H91 M95 A96 Q97 L109 A112 Y116 Y135 F136 L139A89-L93 WeakPolarHBondContact O-CG 3.45Å; A89-L93 PolarHBondContact O-N 3.41Å; A90-L93 WeakPolarHBondContact O-CB 3.37Å; A90-L93 PolarHBondContact O-N 2.83Å; H91-L93 VanDerWaalsContact C-N 3.3Å; H91-L93 PolarHBondContact O-N 3.36Å; L93-M95 VanDerWaalsContact C-N 3.29Å; L93-M95 PolarHBondContact O-N 2.97Å; L93-A96 WeakPolarHBondContact O-CB 3.39Å; L93-A96 PolarHBondContact O-N 2.66Å; L93-Q97 WeakPolarHBondContact O-CG 3.42Å; L93-Q97 PolarHBondContact O-N 2.81Å; L93-L109 HydrophobicContact CD2-CD2 4.07Å; L93-A112 HydrophobicContact CD2-CB 3.65Å; L93-A112 HydrophobicContact CG-CB 4.22Å; L93-Y116 HydrophobicContact CD1-CE2 3.94Å; L93-Y116 HydrophobicContact CD2-CE2 4.45Å; L93-Y116 HydrophobicContact CG-CE2 4.24Å; L93-Y135 HydrophobicContact CD1-CD1 3.78Å; L93-F136 HydrophobicContact CD1-CB 3.94Å; L93-F136 HydrophobicContact CD2-CB 4.05Å; L93-F136 HydrophobicContact CD2-CD2 3.66Å; L93-F136 HydrophobicContact CD2-CG 4.28Å; L93-L139 HydrophobicContact CB-CD1 4.14Å; L93-L139 HydrophobicContact CD1-CD1 4.46Å; L93-L139 HydrophobicContact CD2-CD1 4.38Å
94M85.5Confident83.9Confident79 Ų7957 Ų5739%0.38927%0.272SS..Hα-helixtrans-63.8-34.8176.9-68.9-18069.200112.3A90 H91 Q97 K98A90-M94 WeakPolarHBondContact O-CG 3.36Å; A90-M94 PolarHBondContact O-N 3.08Å; H91-M94 WeakPolarHBondContact O-CB 3.33Å; H91-M94 PolarHBondContact O-N 3.41Å; H91-M94 VanDerWaalsContact O-N 3.09Å; M94-Q97 PolarHBondContact O-N 2.98Å; M94-K98 PolarHBondContact O-N 3.49Å
95M86.2Confident83.6Confident39 Ų3959.6 Ų59.619%0.19228%0.279CS..Hα-helixtrans-69.8-42.6173.6-68.5-66-87.500111.2H91 Y92 L93 Q97 K98 Q99 F108H91-M95 WeakPolarHBondContact O-CG 3.41Å; H91-M95 PolarHBondContact O-N 3Å; Y92-M95 PolarHBondContact O-N 3.09Å; L93-M95 VanDerWaalsContact C-N 3.29Å; L93-M95 PolarHBondContact O-N 2.97Å; M95-Q97 PolarHBondContact O-N 2.91Å; M95-K98 PolarHBondContact O-N 3.34Å; M95-K98 HydrophobicContact SD-CD 4.31Å; M95-Q99 WeakPolarHBondContact O-CG 3.44Å; M95-Q99 PolarHBondContact O-N 3.47Å; M95-Q99 VanDerWaalsContact O-N 3.13Å; M95-F108 HydrophobicContact CB-CD1 4.37Å; M95-F108 HydrophobicContact CB-CD2 4.41Å; M95-F108 HydrophobicContact CB-CG 4.31Å
96A85.4Confident83.4Confident1 Ų159.9 Ų59.91%0.00829%0.289CS..Hα-helixtrans-57-33.9173.300000112.9Y92 L93 R105 F108 L109Y92-A96 WeakPolarHBondContact O-CB 3.19Å; Y92-A96 PolarHBondContact O-N 3.36Å; L93-A96 WeakPolarHBondContact O-CB 3.39Å; L93-A96 PolarHBondContact O-N 2.66Å; A96-R105 HydrophobicContact CB-CG 4.27Å; A96-R105 WeakPolarHBondContact O-CD 3.33Å; A96-R105 WeakPolarHBondContact O-CG 3.48Å; A96-F108 HydrophobicContact CB-CB 3.81Å; A96-L109 HydrophobicContact CB-CD2 4.05Å; A96-L109 HydrophobicContact CB-CG 3.96Å
97Q81Confident83.4Confident96 Ų9664.8 Ų64.845%0.44931%0.311SS..Hα-helixtrans-73.3-25.9174.3-69.3-176.7-83.400114.3L93 M94 M95 Y135 L139L93-Q97 WeakPolarHBondContact O-CG 3.42Å; L93-Q97 PolarHBondContact O-N 2.81Å; M94-Q97 PolarHBondContact O-N 2.98Å; M95-Q97 PolarHBondContact O-N 2.91Å; Q97-Y135 PolarHBondContact NE2-OH 3Å; Q97-Y135 PolarHBondContact OE1-OH 3.13Å; Q97-L139 HydrophobicContact CG-CD1 4.17Å; Q97-L139 HydrophobicContact CG-CD2 3.87Å
98K79.5Confident83.4Confident146 Ų14664.5 Ų64.564%0.63531%0.307SS*.Hα-helixtrans-82.3-21.9176.1-69.8176.1179.4-179.30112.7M94 M95M94-K98 PolarHBondContact O-N 3.49Å; M95-K98 PolarHBondContact O-N 3.34Å; M95-K98 HydrophobicContact SD-CD 4.31Å
99Q80Confident83.2Confident66 Ų6665.6 Ų65.631%0.30831%0.313SS..  trans-77.9132-177.9-72.9-58.4-34.100112.9M95 S104 R105 F108M95-Q99 WeakPolarHBondContact O-CG 3.44Å; M95-Q99 PolarHBondContact O-N 3.47Å; M95-Q99 VanDerWaalsContact O-N 3.13Å; Q99-S104 PolarHBondContact OE1-OG 3.34Å; Q99-R105 HydrophobicContact CB-CB 4.11Å; Q99-F108 HydrophobicContact CG-CD2 3.61Å; Q99-F108 HydrophobicContact CG-CE2 3.57Å
100R66.8Low83.2Confident149 Ų14968.7 Ų68.756%0.56233%0.334SS*.  trans-91.6-24.2176.4-58.8-176-172-176.81.7114N285R100-N285 PolarHBondContact NH2-OD1 3.38Å
101K73.7Confident83.2Confident138 Ų13871.2 Ų71.260%0.634%0.338SS*.SBendtrans-81.3128.3177.4-69.9-172.4174.2-169.40109E103 S104 R105K101-E103 PolarHBondContact O-N 3.46Å; K101-S104 PolarHBondContact O-N 2.63Å; K101-S104 PolarHBondContact O-OG 2.86Å; K101-R105 VanDerWaalsContact O-CB 3.28Å; K101-R105 WeakPolarHBondContact O-CB 3.25Å; K101-R105 PolarHBondContact O-N 3.42Å
102Q73.9Confident83.2Confident173 Ų17370.9 Ų70.981%0.80834%0.336SS*.Hα-helixtrans-58.7-32.3175.8-173.8174.2-900111.9G106Q102-G106 PolarHBondContact O-N 3.43Å
103E78.4Confident83.1Confident139 Ų13973.4 Ų73.465%0.6535%0.353SS*.Hα-helixtrans-62.6-62.8175-62.1163.8153.800111.7K101 R105 G106 E107K101-E103 PolarHBondContact O-N 3.46Å; E103-R105 VanDerWaalsContact C-N 3.3Å; E103-R105 PolarHBondContact O-N 2.9Å; E103-G106 CarbonylContact O-C 3.36Å; E103-G106 VanDerWaalsContact O-CA 3.32Å; E103-G106 WeakPolarHBondContact O-CA 3.22Å; E103-G106 PolarHBondContact O-N 3.26Å; E103-E107 PolarHBondContact O-N 2.96Å
104S79.1Confident83.2Confident19 Ų1979.6 Ų79.613%0.13338%0.383CS..Hα-helixtrans-65.3-32.8-178.763.60000112.5Q99 K101 G106 E107 F108Q99-S104 PolarHBondContact OE1-OG 3.34Å; K101-S104 PolarHBondContact O-N 2.63Å; K101-S104 PolarHBondContact O-OG 2.86Å; S104-G106 VanDerWaalsContact C-N 3.34Å; S104-E107 PolarHBondContact O-N 2.78Å; S104-F108 WeakPolarHBondContact O-CD2 3.49Å; S104-F108 PolarHBondContact O-N 2.8Å
105R82.4Confident83.3Confident63 Ų6377.2 Ų77.224%0.23837%0.372CS..Hα-helixtrans-63-40.5169.3178.1167.6169-173.1-5.6111.7A96 Q99 K101 E103 F108 L109 E335A96-R105 HydrophobicContact CB-CG 4.27Å; A96-R105 WeakPolarHBondContact O-CD 3.33Å; A96-R105 WeakPolarHBondContact O-CG 3.48Å; Q99-R105 HydrophobicContact CB-CB 4.11Å; K101-R105 VanDerWaalsContact O-CB 3.28Å; K101-R105 WeakPolarHBondContact O-CB 3.25Å; K101-R105 PolarHBondContact O-N 3.42Å; E103-R105 VanDerWaalsContact C-N 3.3Å; E103-R105 PolarHBondContact O-N 2.9Å; R105-F108 PolarHBondContact O-N 3.27Å; R105-L109 HydrophobicContact CG-CD1 3.98Å; R105-L109 HydrophobicContact CG-CG 4.48Å; R105-L109 WeakPolarHBondContact O-CB 3.48Å; R105-L109 VanDerWaalsContact O-CG 3.23Å; R105-L109 WeakPolarHBondContact O-CG 3.38Å; R105-L109 PolarHBondContact O-N 2.69Å; R105-E335 IonicContact CZ-OE2 3.17Å; R105-E335 IonicContact NH1-OE1 2.7Å; R105-E335 PolarHBondContact NH1-OE1 2.84Å; R105-E335 IonicContact NH1-OE2 2.72Å; R105-E335 PolarHBondContact NH1-OE2 3.16Å; R105-E335 IonicContact NH2-OE2 3.6Å
106G84.2Confident83.5Confident34 Ų3475.8 Ų75.835%0.35137%0.365SS..Hα-helixtrans-62.2-41.3173.200000112.9Q102 E103 S104 L109 S110Q102-G106 PolarHBondContact O-N 3.43Å; E103-G106 CarbonylContact O-C 3.36Å; E103-G106 VanDerWaalsContact O-CA 3.32Å; E103-G106 WeakPolarHBondContact O-CA 3.22Å; E103-G106 PolarHBondContact O-N 3.26Å; S104-G106 VanDerWaalsContact C-N 3.34Å; G106-L109 PolarHBondContact O-N 2.85Å; G106-S110 WeakPolarHBondContact O-CB 3.38Å; G106-S110 PolarHBondContact O-N 3.41Å; G106-S110 PolarHBondContact O-OG 3.42Å
107E88.7Confident83.6Confident114 Ų11478.4 Ų78.453%0.53339%0.386SS..Hα-helixtrans-62-46.3174-68.1168.4-165.600112.4E103 S104 S110 K111E103-E107 PolarHBondContact O-N 2.96Å; S104-E107 PolarHBondContact O-N 2.78Å; E107-S110 PolarHBondContact O-N 3.48Å; E107-S110 PolarHBondContact O-OG 2.88Å; E107-K111 WeakPolarHBondContact O-CB 3.36Å; E107-K111 WeakPolarHBondContact O-CG 3.27Å; E107-K111 PolarHBondContact O-N 2.84Å
108F89.1Confident83.9Confident35 Ų3576.7 Ų76.715%0.15438%0.382CS..Hα-helixtrans-69.2-35.1177.8-69.9-57.3000112.6Y92 M95 A96 Q99 S104 R105 K111 A112Y92-F108 AromaticContact CD1-CD1 3.41Å; Y92-F108 HydrophobicContact CD1-CD1 3.41Å; Y92-F108 VanDerWaalsContact CD1-CD1 3.41Å; Y92-F108 AromaticContact CD1-CE1 3.88Å; Y92-F108 HydrophobicContact CD1-CE1 3.88Å; Y92-F108 HydrophobicContact CD1-CG 4.46Å; Y92-F108 AromaticContact CE1-CD1 3.74Å; Y92-F108 HydrophobicContact CE1-CD1 3.74Å; Y92-F108 AromaticContact CE1-CE1 3.8Å; Y92-F108 HydrophobicContact CE1-CE1 3.8Å; Y92-F108 HydrophobicContact CG-CD1 4.44Å; M95-F108 HydrophobicContact CB-CD1 4.37Å; M95-F108 HydrophobicContact CB-CD2 4.41Å; M95-F108 HydrophobicContact CB-CG 4.31Å; A96-F108 HydrophobicContact CB-CB 3.81Å; Q99-F108 HydrophobicContact CG-CD2 3.61Å; Q99-F108 HydrophobicContact CG-CE2 3.57Å; S104-F108 WeakPolarHBondContact O-CD2 3.49Å; S104-F108 PolarHBondContact O-N 2.8Å; R105-F108 PolarHBondContact O-N 3.27Å; F108-K111 HydrophobicContact CD1-CD 4.43Å; F108-A112 WeakPolarHBondContact O-CB 3.42Å; F108-A112 PolarHBondContact O-N 3.24Å
109L87.1Confident84.2Confident32 Ų3269.8 Ų69.817%0.16835%0.352CS..Hα-helixtrans-67.3-38.2172.2-71.7170.7000112L93 A96 R105 G106 A112 T113 F136L93-L109 HydrophobicContact CD2-CD2 4.07Å; A96-L109 HydrophobicContact CB-CD2 4.05Å; A96-L109 HydrophobicContact CB-CG 3.96Å; R105-L109 HydrophobicContact CG-CD1 3.98Å; R105-L109 HydrophobicContact CG-CG 4.48Å; R105-L109 WeakPolarHBondContact O-CB 3.48Å; R105-L109 VanDerWaalsContact O-CG 3.23Å; R105-L109 WeakPolarHBondContact O-CG 3.38Å; R105-L109 PolarHBondContact O-N 2.69Å; G106-L109 PolarHBondContact O-N 2.85Å; L109-A112 PolarHBondContact O-N 3.02Å; L109-T113 WeakPolarHBondContact O-CB 3.33Å; L109-T113 PolarHBondContact O-N 2.97Å; L109-T113 PolarHBondContact O-OG1 3.2Å; L109-F136 HydrophobicContact CD2-CD2 4.11Å; L109-F136 HydrophobicContact CD2-CE2 4.03Å
110S88.8Confident84.5Confident65 Ų6568.3 Ų68.346%0.45535%0.347SS..Hα-helixtrans-69.8-40.7177.173.40000111.7G106 E107 T113 M114G106-S110 WeakPolarHBondContact O-CB 3.38Å; G106-S110 PolarHBondContact O-N 3.41Å; G106-S110 PolarHBondContact O-OG 3.42Å; E107-S110 PolarHBondContact O-N 3.48Å; E107-S110 PolarHBondContact O-OG 2.88Å; S110-T113 WeakPolarHBondContact O-CB 3.36Å; S110-T113 PolarHBondContact O-N 3.22Å; S110-M114 WeakPolarHBondContact O-CG 3.35Å; S110-M114 PolarHBondContact O-N 2.76Å
111K89.5Confident85.3Confident92 Ų9266 Ų6640%0.435%0.353SS..Hα-helixtrans-55.9-50.6169.1-75.4-176.9172.4-165.40111.9Y92 E107 F108 T113 M114 L115Y92-K111 HydrophobicContact CD1-CD 4.32Å; Y92-K111 HydrophobicContact CD2-CB 4.16Å; Y92-K111 HydrophobicContact CE1-CD 3.81Å; Y92-K111 HydrophobicContact CE2-CB 4.32Å; Y92-K111 HydrophobicContact CE2-CD 4.07Å; Y92-K111 HydrophobicContact CG-CB 4.36Å; Y92-K111 PolarHBondContact OH-NZ 3.07Å; Y92-K111 VanDerWaalsContact OH-NZ 3.11Å; E107-K111 WeakPolarHBondContact O-CB 3.36Å; E107-K111 WeakPolarHBondContact O-CG 3.27Å; E107-K111 PolarHBondContact O-N 2.84Å; F108-K111 HydrophobicContact CD1-CD 4.43Å; K111-T113 VanDerWaalsContact C-N 3.32Å; K111-T113 PolarHBondContact O-N 3.1Å; K111-M114 PolarHBondContact O-N 2.94Å; K111-L115 WeakPolarHBondContact O-CG 3.2Å; K111-L115 PolarHBondContact O-N 3.46Å
112A89.2Confident85.6Confident0 Ų061 Ų610%033%0.333CS..Hα-helixtrans-61.8-38.5176.900000112.3L93 F108 L109 L115 Y116L93-A112 HydrophobicContact CD2-CB 3.65Å; L93-A112 HydrophobicContact CG-CB 4.22Å; F108-A112 WeakPolarHBondContact O-CB 3.42Å; F108-A112 PolarHBondContact O-N 3.24Å; L109-A112 PolarHBondContact O-N 3.02Å; A112-L115 PolarHBondContact O-N 2.96Å; A112-Y116 HydrophobicContact CB-CE2 4.44Å; A112-Y116 WeakPolarHBondContact O-CD2 3.48Å; A112-Y116 PolarHBondContact O-N 2.83Å
113T88.5Confident85.9Confident62 Ų6257.5 Ų57.538%0.3832%0.316SS..Hα-helixtrans-62.2-45.8176.1-54.60000111.5L109 S110 K111 Y116 A117 F136L109-T113 WeakPolarHBondContact O-CB 3.33Å; L109-T113 PolarHBondContact O-N 2.97Å; L109-T113 PolarHBondContact O-OG1 3.2Å; S110-T113 WeakPolarHBondContact O-CB 3.36Å; S110-T113 PolarHBondContact O-N 3.22Å; K111-T113 VanDerWaalsContact C-N 3.32Å; K111-T113 PolarHBondContact O-N 3.1Å; T113-Y116 PolarHBondContact O-N 3.44Å; T113-A117 WeakPolarHBondContact O-CB 3.22Å; T113-A117 PolarHBondContact O-N 3.04Å; T113-F136 HydrophobicContact CG2-CZ 4.37Å; T113-F136 WeakPolarHBondContact OG1-CZ 3.45Å
114M89.6Confident85.8Confident130 Ų13055.1 Ų55.164%0.6431%0.306SS*.Hα-helixtrans-62-43.9176.9-71.5-61.1-62.200111.6S110 K111 A117 T118S110-M114 WeakPolarHBondContact O-CG 3.35Å; S110-M114 PolarHBondContact O-N 2.76Å; K111-M114 PolarHBondContact O-N 2.94Å; M114-A117 PolarHBondContact O-N 3.29Å; M114-T118 PolarHBondContact O-N 3.06Å; M114-T118 PolarHBondContact O-OG1 3.16Å
115L89.2Confident85.7Confident29 Ų2959.5 Ų59.515%0.15232%0.323CS..Hα-helixtrans-64.7-45.2178.4-69.1167.6000111.9L85 L88 A89 Y92 K111 A112 A117 T118 A119L85-L115 HydrophobicContact CD2-CD2 3.67Å; L88-L115 HydrophobicContact CB-CD1 4.21Å; L88-L115 HydrophobicContact CD2-CD1 3.78Å; L88-L115 HydrophobicContact CD2-CD2 3.95Å; L88-L115 HydrophobicContact CG-CD1 3.72Å; A89-L115 HydrophobicContact CB-CB 3.8Å; A89-L115 HydrophobicContact CB-CD1 4.19Å; Y92-L115 HydrophobicContact CD2-CD1 3.63Å; Y92-L115 HydrophobicContact CE2-CD1 3.99Å; K111-L115 WeakPolarHBondContact O-CG 3.2Å; K111-L115 PolarHBondContact O-N 3.46Å; A112-L115 PolarHBondContact O-N 2.96Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 2.85Å; L115-T118 WeakPolarHBondContact CA-OG1 3.38Å; L115-T118 PolarHBondContact O-N 3.03Å; L115-T118 PolarHBondContact O-OG1 3.41Å; L115-A119 WeakPolarHBondContact O-CB 3.44Å; L115-A119 PolarHBondContact O-N 2.86Å
116Y88.8Confident85.5Confident9 Ų958.8 Ų58.84%0.03532%0.322CS..Hα-helixtrans-63.2-35.2174.1-73.9-52.4000112.5D86 A89 A90 L93 A112 T113 A119 D120 H129 G132 F136D86-Y116 WeakPolarHBondContact OD1-CE1 3.34Å; A89-Y116 HydrophobicContact CB-CD1 4.08Å; A89-Y116 HydrophobicContact CB-CD2 4.09Å; A89-Y116 HydrophobicContact CB-CE1 3.69Å; A89-Y116 HydrophobicContact CB-CE2 3.7Å; A89-Y116 HydrophobicContact CB-CG 4.26Å; A89-Y116 VanDerWaalsContact CB-CZ 3.46Å; A90-Y116 PolarHBondContact N-OH 3.4Å; L93-Y116 HydrophobicContact CD1-CE2 3.94Å; L93-Y116 HydrophobicContact CD2-CE2 4.45Å; L93-Y116 HydrophobicContact CG-CE2 4.24Å; A112-Y116 HydrophobicContact CB-CE2 4.44Å; A112-Y116 WeakPolarHBondContact O-CD2 3.48Å; A112-Y116 PolarHBondContact O-N 2.83Å; T113-Y116 PolarHBondContact O-N 3.44Å; Y116-A119 PolarHBondContact O-N 3.43Å; Y116-D120 WeakPolarHBondContact O-CB 3.4Å; Y116-D120 PolarHBondContact O-N 2.81Å; Y116-H129 AromaticContact CD1-CE1 3.72Å; Y116-H129 AromaticContact CD1-ND1 3.86Å; Y116-G132 WeakPolarHBondContact OH-CA 3.33Å; Y116-F136 HydrophobicContact CD2-CB 4.49Å; Y116-F136 HydrophobicContact CE2-CB 4.21Å
117A87.9Confident85.3Confident55 Ų5559 Ų5946%0.45531%0.314SS..Hα-helixtrans-67.3-34.917400000113T113 M114 L115T113-A117 WeakPolarHBondContact O-CB 3.22Å; T113-A117 PolarHBondContact O-N 3.04Å; M114-A117 PolarHBondContact O-N 3.29Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 2.85Å
118T87Confident85Confident61 Ų6160.4 Ų60.437%0.37432%0.315SS..Hα-helixtrans-74.6-26.4171.652.10000113.5M114 L115 S121M114-T118 PolarHBondContact O-N 3.06Å; M114-T118 PolarHBondContact O-OG1 3.16Å; L115-T118 WeakPolarHBondContact CA-OG1 3.38Å; L115-T118 PolarHBondContact O-N 3.03Å; L115-T118 PolarHBondContact O-OG1 3.41Å; T118-S121 PolarHBondContact O-OG 3.33Å
119A86.6Confident84.8Confident0 Ų058.7 Ų58.70%031%0.308CS..Hα-helixtrans-75.8-39.5174.500000111.9L82 L85 L115 Y116 S121 I122 H123 H129L82-A119 HydrophobicContact CD1-CB 3.41Å; L82-A119 VanDerWaalsContact CD1-CB 3.41Å; L85-A119 HydrophobicContact CB-CB 4.21Å; L85-A119 HydrophobicContact CD1-CB 4.28Å; L115-A119 WeakPolarHBondContact O-CB 3.44Å; L115-A119 PolarHBondContact O-N 2.86Å; Y116-A119 PolarHBondContact O-N 3.43Å; A119-S121 PolarHBondContact O-N 3.46Å; A119-I122 PolarHBondContact O-N 3.05Å; A119-H123 PolarHBondContact O-N 2.84Å; A119-H129 VanDerWaalsContact CB-CE1 3.46Å; A119-H129 WeakPolarHBondContact CB-CE1 3.31Å
120D85.1Confident84.7Confident36 Ų3657.8 Ų57.819%0.19330%0.303CS..Hα-helixtrans-53.3-35.7173.9-113.5-29.4000112.4Y116 M124 H129 R133Y116-D120 WeakPolarHBondContact O-CB 3.4Å; Y116-D120 PolarHBondContact O-N 2.81Å; D120-M124 PolarHBondContact O-N 3.29Å; D120-M124 WeakPolarHBondContact OD1-CG 3.31Å; D120-H129 IonicContact OD1-NE2 3.11Å; D120-R133 IonicContact OD1-CZ 3.41Å; D120-R133 IonicContact OD1-NH1 3.3Å; D120-R133 PolarHBondContact OD1-NH1 3.09Å; D120-R133 IonicContact OD1-NH2 3.4Å; D120-R133 IonicContact OD2-CZ 3.42Å; D120-R133 IonicContact OD2-NH1 3.99Å; D120-R133 PolarHBondContact OD2-NH1 2.86Å; D120-R133 IonicContact OD2-NH2 2.66Å; D120-R133 PolarHBondContact OD2-NH2 3.4Å
121S83.9Confident84.6Confident100 Ų10055.6 Ų55.670%0.69929%0.286SS*.Hα-helixtrans-79.9-13.3-179.970.20000114.5T118 A119T118-S121 PolarHBondContact O-OG 3.33Å; A119-S121 PolarHBondContact O-N 3.46Å
122I81.1Confident84.4Confident34 Ų3451.8 Ų51.817%0.17427%0.273CS..Hα-helixtrans-85.7-71.5171.1-56.1174.1000108.4Q78 Q81 L82 L85 A119Q78-I122 HydrophobicContact CB-CG2 4.04Å; Q81-I122 HydrophobicContact CB-CD1 4.26Å; Q81-I122 HydrophobicContact CG-CD1 3.76Å; L82-I122 HydrophobicContact CB-CG2 4.41Å; L85-I122 HydrophobicContact CD1-CD1 3.75Å; A119-I122 PolarHBondContact O-N 3.05Å
123H79.9Confident84.2Confident99 Ų9954.9 Ų54.946%0.45829%0.285SS..Hα-helixtrans-146.189.7176.9-71.4-25.1000112.3L82 A119 F125 E126L82-H123 HydrophobicContact CD2-CB 3.79Å; A119-H123 PolarHBondContact O-N 2.84Å; H123-F125 PolarHBondContact O-N 2.96Å; H123-E126 PolarHBondContact O-N 3.2Å
124M75.8Confident84.2Confident88 Ų8852 Ų5243%0.43327%0.267SS..THydrogen-bonded Turntrans-43.4-29.7173.5-179.6-175.7-53.700116.6D120D120-M124 PolarHBondContact O-N 3.29Å; D120-M124 WeakPolarHBondContact OD1-CG 3.31Å
125F77.1Confident84.1Confident112 Ų11250 Ų5049%0.49125%0.252SS..THydrogen-bonded Turntrans-10820.1-170-68.7-71.6000115.1H123 F155 F175H123-F125 PolarHBondContact O-N 2.96Å; F125-F155 HydrophobicContact CD1-CE1 4.14Å; F125-F155 AromaticContact CD1-CZ 3.93Å; F125-F155 HydrophobicContact CD1-CZ 3.93Å; F125-F155 HydrophobicContact CE1-CZ 4.25Å; F125-F175 VanDerWaalsContact O-CD1 3.27Å; F125-F175 WeakPolarHBondContact O-CD1 3.19Å; F125-F175 VanDerWaalsContact O-CE1 3.23Å; F125-F175 WeakPolarHBondContact O-CE1 3.27Å
126E78.5Confident83.9Confident48 Ų4849.5 Ų49.522%0.22425%0.249CC..  trans-73.1147.5173.4-145.4-121.888.500112.5L82 H123 Y128 H129 L130L82-E126 HydrophobicContact CD2-CB 3.64Å; L82-E126 HydrophobicContact CD2-CG 4.15Å; H123-E126 PolarHBondContact O-N 3.2Å; E126-Y128 PolarHBondContact O-N 3.45Å; E126-Y128 WeakPolarHBondContact OE1-CD2 3.24Å; E126-Y128 PolarHBondContact OE1-N 3.08Å; E126-Y128 VanDerWaalsContact OE1-N 3.1Å; E126-H129 HydrophobicContact CB-CB 4.13Å; E126-L130 WeakPolarHBondContact O-CB 3.33Å; E126-L130 PolarHBondContact O-N 2.93Å
127K80.3Confident83.7Confident38 Ų3849.5 Ų49.517%0.16525%0.25CS..Hα-helixtrans-63.3-43.4-172.6173-171.5163.3-166.80111.9L131 D177 N180K127-L131 WeakPolarHBondContact O-CG 3.48Å; K127-L131 PolarHBondContact O-N 2.84Å; K127-D177 VanDerWaalsContact CE-OD2 3.23Å; K127-D177 WeakPolarHBondContact CE-OD2 3.34Å; K127-D177 IonicContact NZ-OD2 2.82Å; K127-D177 PolarHBondContact NZ-OD2 3.06Å; K127-N180 VanDerWaalsContact CE-ND2 3.34Å; K127-N180 WeakPolarHBondContact CE-ND2 3.33Å
128Y81.6Confident83.6Confident143 Ų14347.7 Ų47.756%0.56123%0.233SC*.Hα-helixtrans-77.1-38.8-177.2-69.5-78.2000111.7E126 L130 L131 G132E126-Y128 PolarHBondContact O-N 3.45Å; E126-Y128 WeakPolarHBondContact OE1-CD2 3.24Å; E126-Y128 PolarHBondContact OE1-N 3.08Å; E126-Y128 VanDerWaalsContact OE1-N 3.1Å; Y128-L130 PolarHBondContact O-N 3.2Å; Y128-L131 HydrophobicContact CD1-CD1 4.27Å; Y128-L131 WeakPolarHBondContact O-CB 3.3Å; Y128-L131 PolarHBondContact O-N 3.47Å; Y128-G132 PolarHBondContact O-N 2.95Å
129H85.4Confident83.3Confident0 Ų046.7 Ų46.70%023%0.225CC..Hα-helixtrans-53.4-51.2171.8-175.265.2000112.3L82 D86 Y116 A119 D120 E126 L131 G132 R133L82-H129 HydrophobicContact CD1-CB 4.35Å; D86-H129 IonicContact OD1-CE1 2.99Å; D86-H129 IonicContact OD1-CG 2.61Å; D86-H129 IonicContact OD1-ND1 2.71Å; D86-H129 PolarHBondContact OD1-ND1 3.38Å; D86-H129 WeakPolarHBondContact OD2-CA 3.47Å; D86-H129 WeakPolarHBondContact OD2-CB 3.44Å; D86-H129 IonicContact OD2-CG 2.63Å; D86-H129 PolarHBondContact OD2-N 3.43Å; D86-H129 IonicContact OD2-ND1 3.76Å; Y116-H129 AromaticContact CD1-CE1 3.72Å; Y116-H129 AromaticContact CD1-ND1 3.86Å; A119-H129 VanDerWaalsContact CB-CE1 3.46Å; A119-H129 WeakPolarHBondContact CB-CE1 3.31Å; D120-H129 IonicContact OD1-NE2 3.11Å; E126-H129 HydrophobicContact CB-CB 4.13Å; H129-L131 VanDerWaalsContact C-N 3.28Å; H129-L131 PolarHBondContact O-N 2.65Å; H129-G132 PolarHBondContact O-N 3.02Å; H129-G132 VanDerWaalsContact O-N 3.15Å; H129-R133 WeakPolarHBondContact O-CB 3.49Å; H129-R133 PolarHBondContact O-N 2.83Å
130L85.2Confident82.9Confident12 Ų1249.9 Ų49.96%0.06324%0.24CC..Hα-helixtrans-65.8-29.5-177.5-163.359.1000112.9E126 Y128 A134 Q152 F155 V156E126-L130 WeakPolarHBondContact O-CB 3.33Å; E126-L130 PolarHBondContact O-N 2.93Å; Y128-L130 PolarHBondContact O-N 3.2Å; L130-A134 WeakPolarHBondContact O-CB 3.48Å; L130-A134 PolarHBondContact O-N 3.09Å; L130-Q152 HydrophobicContact CD1-CB 3.93Å; L130-Q152 HydrophobicContact CD1-CG 3.64Å; L130-Q152 HydrophobicContact CG-CB 4.09Å; L130-Q152 HydrophobicContact CG-CG 4.35Å; L130-F155 HydrophobicContact CD2-CB 4.21Å; L130-F155 HydrophobicContact CD2-CD1 3.4Å; L130-F155 VanDerWaalsContact CD2-CD1 3.4Å; L130-F155 HydrophobicContact CD2-CE1 4.06Å; L130-F155 HydrophobicContact CD2-CG 4.1Å; L130-V156 HydrophobicContact CB-CG2 4.26Å; L130-V156 HydrophobicContact CD2-CG2 3.79Å; L130-V156 HydrophobicContact CG-CG2 4.14Å
131L86.2Confident82.4Confident19 Ų1950.1 Ų50.110%0.09925%0.251CS..Hα-helixtrans-69.8-45.1171.3-71169.6000112.4K127 Y128 H129 A134 Y135 F153 V156 P182 A183K127-L131 WeakPolarHBondContact O-CG 3.48Å; K127-L131 PolarHBondContact O-N 2.84Å; Y128-L131 HydrophobicContact CD1-CD1 4.27Å; Y128-L131 WeakPolarHBondContact O-CB 3.3Å; Y128-L131 PolarHBondContact O-N 3.47Å; H129-L131 VanDerWaalsContact C-N 3.28Å; H129-L131 PolarHBondContact O-N 2.65Å; L131-A134 PolarHBondContact O-N 2.92Å; L131-Y135 WeakPolarHBondContact O-CB 3.45Å; L131-Y135 PolarHBondContact O-N 3.05Å; L131-F153 HydrophobicContact CD2-CD1 4.21Å; L131-F153 HydrophobicContact CD2-CE1 4.21Å; L131-V156 HydrophobicContact CD2-CG1 4.32Å; L131-P182 HydrophobicContact CD1-CB 4.34Å; L131-P182 HydrophobicContact CD2-CB 4.22Å; L131-A183 HydrophobicContact CD2-CB 3.82Å
132G85.7Confident82.1Confident13 Ų1348.8 Ų48.813%0.13424%0.239CC..Hα-helixtrans-61.9-45.6178.100000111.6Y116 Y128 H129 Y135 F136Y116-G132 WeakPolarHBondContact OH-CA 3.33Å; Y128-G132 PolarHBondContact O-N 2.95Å; H129-G132 PolarHBondContact O-N 3.02Å; H129-G132 VanDerWaalsContact O-N 3.15Å; G132-Y135 PolarHBondContact O-N 3.13Å; G132-F136 PolarHBondContact O-N 3.14Å
133R86Confident81.9Confident65 Ų6555.6 Ų55.625%0.24527%0.267CS..Hα-helixtrans-62-44.5174.6-170179.4-174.8159.617.5112.9D120 H129 Y135 F136 C137D120-R133 IonicContact OD1-CZ 3.41Å; D120-R133 IonicContact OD1-NH1 3.3Å; D120-R133 PolarHBondContact OD1-NH1 3.09Å; D120-R133 IonicContact OD1-NH2 3.4Å; D120-R133 IonicContact OD2-CZ 3.42Å; D120-R133 IonicContact OD2-NH1 3.99Å; D120-R133 PolarHBondContact OD2-NH1 2.86Å; D120-R133 IonicContact OD2-NH2 2.66Å; D120-R133 PolarHBondContact OD2-NH2 3.4Å; H129-R133 WeakPolarHBondContact O-CB 3.49Å; H129-R133 PolarHBondContact O-N 2.83Å; R133-Y135 VanDerWaalsContact C-N 3.28Å; R133-Y135 PolarHBondContact O-N 2.72Å; R133-F136 WeakPolarHBondContact O-CB 3.46Å; R133-F136 PolarHBondContact O-N 3.43Å; R133-C137 PolarHBondContact O-N 3.44Å; R133-C137 PolarHBondContact O-SG 3.1Å; R133-C137 VanDerWaalsContact O-SG 3.37Å
134A86.7Confident82Confident0 Ų058 Ų580%028%0.278CS..Hα-helixtrans-63.7-36.1176.200000111.9L130 L131 L138 A149 Q152 F153L130-A134 WeakPolarHBondContact O-CB 3.48Å; L130-A134 PolarHBondContact O-N 3.09Å; L131-A134 PolarHBondContact O-N 2.92Å; A134-L138 WeakPolarHBondContact O-CB 3.44Å; A134-L138 PolarHBondContact O-N 3.21Å; A134-A149 VanDerWaalsContact O-CB 3.26Å; A134-A149 WeakPolarHBondContact O-CB 3.3Å; A134-Q152 VanDerWaalsContact CA-OE1 3.23Å; A134-Q152 HydrophobicContact CB-CB 3.77Å; A134-Q152 VanDerWaalsContact N-OE1 3.14Å; A134-F153 HydrophobicContact CB-CD1 3.8Å; A134-F153 HydrophobicContact CB-CD2 4.13Å; A134-F153 HydrophobicContact CB-CE1 3.48Å; A134-F153 VanDerWaalsContact CB-CE1 3.48Å; A134-F153 HydrophobicContact CB-CE2 3.83Å; A134-F153 HydrophobicContact CB-CG 4.11Å; A134-F153 HydrophobicContact CB-CZ 3.49Å; A134-F153 VanDerWaalsContact CB-CZ 3.49Å
135Y87.5Confident82.3Confident88 Ų8856.7 Ų56.735%0.34527%0.271SS..Hα-helixtrans-68.5-41.6174.3-170.6-116.5000112.3L93 Q97 L131 G132 R133 L138 L139L93-Y135 HydrophobicContact CD1-CD1 3.78Å; Q97-Y135 PolarHBondContact NE2-OH 3Å; Q97-Y135 PolarHBondContact OE1-OH 3.13Å; L131-Y135 WeakPolarHBondContact O-CB 3.45Å; L131-Y135 PolarHBondContact O-N 3.05Å; G132-Y135 PolarHBondContact O-N 3.13Å; R133-Y135 VanDerWaalsContact C-N 3.28Å; R133-Y135 PolarHBondContact O-N 2.72Å; Y135-L138 HydrophobicContact CD2-CD2 4.37Å; Y135-L138 WeakPolarHBondContact O-CB 3.39Å; Y135-L138 PolarHBondContact O-N 3.32Å; Y135-L139 HydrophobicContact CD1-CD1 3.95Å; Y135-L139 HydrophobicContact CE1-CD1 3.7Å; Y135-L139 HydrophobicContact CE1-CG 4.34Å; Y135-L139 WeakPolarHBondContact O-CG 3.49Å; Y135-L139 PolarHBondContact O-N 2.87Å
136F86.4Confident82.7Confident19 Ų1952.2 Ų52.28%0.08325%0.252CS..Hα-helixtrans-57-51171.2169.2-115.1000111.9L93 L109 T113 Y116 G132 R133 L138 L139 E140L93-F136 HydrophobicContact CD1-CB 3.94Å; L93-F136 HydrophobicContact CD2-CB 4.05Å; L93-F136 HydrophobicContact CD2-CD2 3.66Å; L93-F136 HydrophobicContact CD2-CG 4.28Å; L109-F136 HydrophobicContact CD2-CD2 4.11Å; L109-F136 HydrophobicContact CD2-CE2 4.03Å; T113-F136 HydrophobicContact CG2-CZ 4.37Å; T113-F136 WeakPolarHBondContact OG1-CZ 3.45Å; Y116-F136 HydrophobicContact CD2-CB 4.49Å; Y116-F136 HydrophobicContact CE2-CB 4.21Å; G132-F136 PolarHBondContact O-N 3.14Å; R133-F136 WeakPolarHBondContact O-CB 3.46Å; R133-F136 PolarHBondContact O-N 3.43Å; F136-L138 PolarHBondContact O-N 3.2Å; F136-L139 WeakPolarHBondContact O-CB 3.36Å; F136-L139 PolarHBondContact O-N 2.97Å; F136-E140 HydrophobicContact CD2-CG 4.38Å; F136-E140 VanDerWaalsContact CE1-OE2 3.23Å; F136-E140 WeakPolarHBondContact CE1-OE2 3.41Å; F136-E140 HydrophobicContact CE2-CG 3.98Å; F136-E140 VanDerWaalsContact CZ-CD 3.48Å; F136-E140 HydrophobicContact CZ-CG 4.17Å; F136-E140 WeakPolarHBondContact CZ-OE2 3.15Å; F136-E140 PolarHBondContact O-N 3.33Å; F136-E140 VanDerWaalsContact O-N 3.12Å
137C85Confident83Confident9 Ų955.4 Ų55.46%0.06127%0.267CS..Hα-helixtrans-62.5-29.7177.6-65.40000113.2R133 K145 A149R133-C137 PolarHBondContact O-N 3.44Å; R133-C137 PolarHBondContact O-SG 3.1Å; R133-C137 VanDerWaalsContact O-SG 3.37Å; C137-K145 HydrophobicContact CB-CB 4.17Å; C137-K145 WeakPolarHBondContact CB-O 3.5Å; C137-K145 WeakPolarHBondContact O-CB 3.27Å; C137-A149 HydrophobicContact CB-CB 3.99Å
138L84.6Confident83.2Confident18 Ų1858.4 Ų58.49%0.09428%0.282CS..Hα-helixtrans-70.1-33.2172.6-174.671.1000113.2A134 Y135 F136 A149 I190A134-L138 WeakPolarHBondContact O-CB 3.44Å; A134-L138 PolarHBondContact O-N 3.21Å; Y135-L138 HydrophobicContact CD2-CD2 4.37Å; Y135-L138 WeakPolarHBondContact O-CB 3.39Å; Y135-L138 PolarHBondContact O-N 3.32Å; F136-L138 PolarHBondContact O-N 3.2Å; L138-A149 HydrophobicContact CB-CB 4.38Å; L138-I190 HydrophobicContact CD1-CD1 4.12Å; L138-I190 HydrophobicContact CD1-CG1 3.55Å
139L81.5Confident83.4Confident39 Ų3951.6 Ų51.620%0.20426%0.255CS..Hα-helixtrans-77-33.6-179.9-72.8173.7000113.1L93 Q97 Y135 F136 G141L93-L139 HydrophobicContact CB-CD1 4.14Å; L93-L139 HydrophobicContact CD1-CD1 4.46Å; L93-L139 HydrophobicContact CD2-CD1 4.38Å; Q97-L139 HydrophobicContact CG-CD1 4.17Å; Q97-L139 HydrophobicContact CG-CD2 3.87Å; Y135-L139 HydrophobicContact CD1-CD1 3.95Å; Y135-L139 HydrophobicContact CE1-CD1 3.7Å; Y135-L139 HydrophobicContact CE1-CG 4.34Å; Y135-L139 WeakPolarHBondContact O-CG 3.49Å; Y135-L139 PolarHBondContact O-N 2.87Å; F136-L139 WeakPolarHBondContact O-CB 3.36Å; F136-L139 PolarHBondContact O-N 2.97Å; L139-G141 PolarHBondContact O-N 2.87Å
140E78Confident83.5Confident67 Ų6752.7 Ų52.731%0.31326%0.261SS..Hα-helixtrans-70.9-20.1173.6-67.2-169.585.300113.1F136 T142 K145F136-E140 HydrophobicContact CD2-CG 4.38Å; F136-E140 VanDerWaalsContact CE1-OE2 3.23Å; F136-E140 WeakPolarHBondContact CE1-OE2 3.41Å; F136-E140 HydrophobicContact CE2-CG 3.98Å; F136-E140 VanDerWaalsContact CZ-CD 3.48Å; F136-E140 HydrophobicContact CZ-CG 4.17Å; F136-E140 WeakPolarHBondContact CZ-OE2 3.15Å; F136-E140 PolarHBondContact O-N 3.33Å; F136-E140 VanDerWaalsContact O-N 3.12Å; E140-T142 PolarHBondContact O-N 2.85Å; E140-K145 HydrophobicContact CB-CD 3.86Å; E140-K145 HydrophobicContact CG-CD 4.44Å; E140-K145 IonicContact OE1-NZ 2.61Å; E140-K145 PolarHBondContact OE1-NZ 3.4Å; E140-K145 WeakPolarHBondContact OE2-CD 3.48Å; E140-K145 WeakPolarHBondContact OE2-CE 3.31Å; E140-K145 IonicContact OE2-NZ 3.61Å; E140-K145 PolarHBondContact OE2-NZ 3.01Å
141G73.3Confident83.5Confident41 Ų4155.1 Ų55.142%0.42328%0.283SS..  trans70.6-9.1160.800000117.9L139L139-G141 PolarHBondContact O-N 2.87Å
142T78.6Confident83.4Confident72 Ų7255.7 Ų55.744%0.44229%0.285SS..  trans-66.1145.9176.372.30000110.9E140 Q144 K145 V146E140-T142 PolarHBondContact O-N 2.85Å; T142-Q144 VanDerWaalsContact C-N 3.32Å; T142-Q144 PolarHBondContact O-N 3.48Å; T142-K145 PolarHBondContact O-N 2.9Å; T142-K145 WeakPolarHBondContact OG1-CG 3.47Å; T142-V146 PolarHBondContact O-N 3.44Å
143K77.8Confident83.4Confident178 Ų17855.4 Ų55.477%0.77428%0.28SS*.Hα-helixtrans-53.2-46.5-172.2-68.1-174.7177.4-177.60113.2K145 V146 E147K143-K145 VanDerWaalsContact C-N 3.34Å; K143-K145 PolarHBondContact O-N 3.13Å; K143-V146 PolarHBondContact O-N 3.34Å; K143-E147 PolarHBondContact O-N 2.96Å
144Q80.4Confident83.3Confident148 Ų14853.3 Ų53.369%0.69228%0.275SS*.Hα-helixtrans-60.2-40.6177.3-68.3172-21.600112.4T142 E147 Q148T142-Q144 VanDerWaalsContact C-N 3.32Å; T142-Q144 PolarHBondContact O-N 3.48Å; Q144-E147 PolarHBondContact O-N 2.89Å; Q144-Q148 WeakPolarHBondContact O-CG 3.3Å; Q144-Q148 PolarHBondContact O-N 3.09Å
145K83.2Confident83Confident62 Ų6259 Ų5927%0.2730%0.3SS..Hα-helixtrans-74.3-30.8178.8-65.9-171.6175.5-163.60112.4C137 E140 T142 K143 E147 Q148 A149C137-K145 HydrophobicContact CB-CB 4.17Å; C137-K145 WeakPolarHBondContact CB-O 3.5Å; C137-K145 WeakPolarHBondContact O-CB 3.27Å; E140-K145 HydrophobicContact CB-CD 3.86Å; E140-K145 HydrophobicContact CG-CD 4.44Å; E140-K145 IonicContact OE1-NZ 2.61Å; E140-K145 PolarHBondContact OE1-NZ 3.4Å; E140-K145 WeakPolarHBondContact OE2-CD 3.48Å; E140-K145 WeakPolarHBondContact OE2-CE 3.31Å; E140-K145 IonicContact OE2-NZ 3.61Å; E140-K145 PolarHBondContact OE2-NZ 3.01Å; T142-K145 PolarHBondContact O-N 2.9Å; T142-K145 WeakPolarHBondContact OG1-CG 3.47Å; K143-K145 VanDerWaalsContact C-N 3.34Å; K143-K145 PolarHBondContact O-N 3.13Å; K145-E147 VanDerWaalsContact C-N 3.34Å; K145-Q148 PolarHBondContact O-N 3.3Å; K145-A149 WeakPolarHBondContact O-CB 3.37Å; K145-A149 PolarHBondContact O-N 3.2Å
146V84.1Confident82.7Confident18 Ų1855 Ų5511%0.10929%0.285CS..Hα-helixtrans-66.2-35.6169.8174.80000111.6T142 K143 D150 I190T142-V146 PolarHBondContact O-N 3.44Å; K143-V146 PolarHBondContact O-N 3.34Å; V146-D150 WeakPolarHBondContact O-CB 3.28Å; V146-D150 PolarHBondContact O-N 2.97Å; V146-I190 HydrophobicContact CG1-CG1 4.3Å; V146-I190 HydrophobicContact CG1-CG2 3.97Å
147E85.3Confident82.4Confident114 Ų11454.9 Ų54.953%0.53329%0.285SS..Hα-helixtrans-70.9-39.3173.3-72.9163.3-170.600112.3K143 Q144 K145 D150 A151K143-E147 PolarHBondContact O-N 2.96Å; Q144-E147 PolarHBondContact O-N 2.89Å; K145-E147 VanDerWaalsContact C-N 3.34Å; E147-D150 PolarHBondContact O-N 3.21Å; E147-A151 PolarHBondContact O-N 2.91Å
148Q85.1Confident81.5Confident101 Ų10158.3 Ų58.347%0.47230%0.303SS..Hα-helixtrans-61.1-46.2170.9-71.8168.9-10.800111.7Q144 K145 D150 A151 Q152Q144-Q148 WeakPolarHBondContact O-CG 3.3Å; Q144-Q148 PolarHBondContact O-N 3.09Å; K145-Q148 PolarHBondContact O-N 3.3Å; Q148-D150 VanDerWaalsContact C-N 3.34Å; Q148-D150 PolarHBondContact O-N 3.46Å; Q148-A151 PolarHBondContact O-N 3.27Å; Q148-Q152 WeakPolarHBondContact O-CB 3.3Å; Q148-Q152 VanDerWaalsContact O-CG 3.27Å; Q148-Q152 WeakPolarHBondContact O-CG 3.49Å; Q148-Q152 PolarHBondContact O-N 2.94Å
149A86.6Confident80Confident0 Ų064.8 Ų64.80%033%0.33CS..Hα-helixtrans-59-43.7175.500000112A134 C137 L138 K145 Q152 F153 I190A134-A149 VanDerWaalsContact O-CB 3.26Å; A134-A149 WeakPolarHBondContact O-CB 3.3Å; C137-A149 HydrophobicContact CB-CB 3.99Å; L138-A149 HydrophobicContact CB-CB 4.38Å; K145-A149 WeakPolarHBondContact O-CB 3.37Å; K145-A149 PolarHBondContact O-N 3.2Å; A149-Q152 PolarHBondContact O-N 3.42Å; A149-F153 HydrophobicContact CB-CD2 4.49Å; A149-F153 HydrophobicContact CB-CE2 4.22Å; A149-F153 WeakPolarHBondContact O-CD2 3.21Å; A149-F153 WeakPolarHBondContact O-CG 3.38Å; A149-F153 PolarHBondContact O-N 3.5Å; A149-I190 HydrophobicContact CB-CD1 4.02Å
150D86.1Confident78.1Confident24 Ų2467 Ų6713%0.12835%0.345CS..Hα-helixtrans-62.1-45.9177-164.634.5000111.6V146 E147 Q148 Q152 F153 C154 I190 R194V146-D150 WeakPolarHBondContact O-CB 3.28Å; V146-D150 PolarHBondContact O-N 2.97Å; E147-D150 PolarHBondContact O-N 3.21Å; Q148-D150 VanDerWaalsContact C-N 3.34Å; Q148-D150 PolarHBondContact O-N 3.46Å; D150-Q152 VanDerWaalsContact C-N 3.34Å; D150-Q152 PolarHBondContact O-N 2.85Å; D150-F153 PolarHBondContact O-N 2.99Å; D150-C154 WeakPolarHBondContact O-CB 3.33Å; D150-C154 PolarHBondContact O-N 3.3Å; D150-C154 PolarHBondContact O-SG 2.98Å; D150-I190 HydrophobicContact CB-CD1 3.83Å; D150-I190 HydrophobicContact CB-CG2 4.21Å; D150-R194 IonicContact OD2-CZ 3.7Å; D150-R194 IonicContact OD2-NH1 3.17Å; D150-R194 PolarHBondContact OD2-NH1 3.1Å; D150-R194 IonicContact OD2-NH2 3.77Å; D150-R194 PolarHBondContact OD2-NH2 3.11Å
151A85.4Confident76.2Confident62 Ų6269.1 Ų69.151%0.51237%0.367SS..Hα-helixtrans-61-40.9176.100000112.4E147 Q148 C154 F155E147-A151 PolarHBondContact O-N 2.91Å; Q148-A151 PolarHBondContact O-N 3.27Å; A151-C154 PolarHBondContact O-N 3.35Å; A151-F155 PolarHBondContact O-N 3.41Å
152Q84.4Confident74.4Confident32 Ų3276.2 Ų76.215%0.1539%0.387CS..Hα-helixtrans-67.5-44176.6-70178.8-13.300111.9L130 A134 Q148 A149 D150 C154 F155 V156L130-Q152 HydrophobicContact CD1-CB 3.93Å; L130-Q152 HydrophobicContact CD1-CG 3.64Å; L130-Q152 HydrophobicContact CG-CB 4.09Å; L130-Q152 HydrophobicContact CG-CG 4.35Å; A134-Q152 VanDerWaalsContact CA-OE1 3.23Å; A134-Q152 HydrophobicContact CB-CB 3.77Å; A134-Q152 VanDerWaalsContact N-OE1 3.14Å; Q148-Q152 WeakPolarHBondContact O-CB 3.3Å; Q148-Q152 VanDerWaalsContact O-CG 3.27Å; Q148-Q152 WeakPolarHBondContact O-CG 3.49Å; Q148-Q152 PolarHBondContact O-N 2.94Å; A149-Q152 PolarHBondContact O-N 3.42Å; D150-Q152 VanDerWaalsContact C-N 3.34Å; D150-Q152 PolarHBondContact O-N 2.85Å; Q152-C154 VanDerWaalsContact C-N 3.31Å; Q152-C154 PolarHBondContact O-N 2.75Å; Q152-F155 PolarHBondContact O-N 2.78Å; Q152-V156 WeakPolarHBondContact O-CG2 3.37Å; Q152-V156 PolarHBondContact O-N 3.09Å
153F86.6Confident72.6Confident6 Ų681.5 Ų81.53%0.02640%0.404CS..Hα-helixtrans-64.2-33.9172.8-68.7-51.1000112.6L131 A134 A149 D150 L157 A183 R187 I190L131-F153 HydrophobicContact CD2-CD1 4.21Å; L131-F153 HydrophobicContact CD2-CE1 4.21Å; A134-F153 HydrophobicContact CB-CD1 3.8Å; A134-F153 HydrophobicContact CB-CD2 4.13Å; A134-F153 HydrophobicContact CB-CE1 3.48Å; A134-F153 VanDerWaalsContact CB-CE1 3.48Å; A134-F153 HydrophobicContact CB-CE2 3.83Å; A134-F153 HydrophobicContact CB-CG 4.11Å; A134-F153 HydrophobicContact CB-CZ 3.49Å; A134-F153 VanDerWaalsContact CB-CZ 3.49Å; A149-F153 HydrophobicContact CB-CD2 4.49Å; A149-F153 HydrophobicContact CB-CE2 4.22Å; A149-F153 WeakPolarHBondContact O-CD2 3.21Å; A149-F153 WeakPolarHBondContact O-CG 3.38Å; A149-F153 PolarHBondContact O-N 3.5Å; D150-F153 PolarHBondContact O-N 2.99Å; F153-L157 WeakPolarHBondContact O-CD1 3.5Å; F153-L157 VanDerWaalsContact O-CG 3.29Å; F153-L157 WeakPolarHBondContact O-CG 3.36Å; F153-L157 PolarHBondContact O-N 3.01Å; F153-A183 HydrophobicContact CD1-CB 4.18Å; F153-R187 HydrophobicContact CB-CB 4.39Å; F153-I190 HydrophobicContact CD2-CD1 3.79Å; F153-I190 HydrophobicContact CE2-CD1 4.02Å
154C83.2Confident70.8Confident22 Ų2280.2 Ų80.215%0.14941%0.411CS..Hα-helixtrans-66.8-44.2173.3-66.20000111.7D150 A151 Q152 V156 L157 D158 R187D150-C154 WeakPolarHBondContact O-CB 3.33Å; D150-C154 PolarHBondContact O-N 3.3Å; D150-C154 PolarHBondContact O-SG 2.98Å; A151-C154 PolarHBondContact O-N 3.35Å; Q152-C154 VanDerWaalsContact C-N 3.31Å; Q152-C154 PolarHBondContact O-N 2.75Å; C154-V156 PolarHBondContact O-N 3.35Å; C154-L157 PolarHBondContact O-N 3.48Å; C154-D158 WeakPolarHBondContact CB-OD2 3.48Å; C154-D158 WeakPolarHBondContact O-CB 3.39Å; C154-D158 PolarHBondContact O-N 3.04Å; C154-R187 PolarHBondContact SG-NE 3.49Å; C154-R187 VanDerWaalsContact SG-NE 3.37Å; C154-R187 PolarHBondContact SG-NH2 2.88Å
155F81.1Confident68.6Low118 Ų11880.3 Ų80.352%0.51842%0.416SS..Hα-helixtrans-57.4-35.8178.3-174-85.4000112.9F125 L130 A151 Q152 L157F125-F155 HydrophobicContact CD1-CE1 4.14Å; F125-F155 AromaticContact CD1-CZ 3.93Å; F125-F155 HydrophobicContact CD1-CZ 3.93Å; F125-F155 HydrophobicContact CE1-CZ 4.25Å; L130-F155 HydrophobicContact CD2-CB 4.21Å; L130-F155 HydrophobicContact CD2-CD1 3.4Å; L130-F155 VanDerWaalsContact CD2-CD1 3.4Å; L130-F155 HydrophobicContact CD2-CE1 4.06Å; L130-F155 HydrophobicContact CD2-CG 4.1Å; A151-F155 PolarHBondContact O-N 3.41Å; Q152-F155 PolarHBondContact O-N 2.78Å; F155-L157 VanDerWaalsContact C-N 3.32Å
156V81Confident66.3Low5 Ų584.2 Ų84.23%0.0344%0.439CS..Hα-helixtrans-73.5-20.2176.7176.70000113.2L130 L131 Q152 C154 N180 A183L130-V156 HydrophobicContact CB-CG2 4.26Å; L130-V156 HydrophobicContact CD2-CG2 3.79Å; L130-V156 HydrophobicContact CG-CG2 4.14Å; L131-V156 HydrophobicContact CD2-CG1 4.32Å; Q152-V156 WeakPolarHBondContact O-CG2 3.37Å; Q152-V156 PolarHBondContact O-N 3.09Å; C154-V156 PolarHBondContact O-N 3.35Å; V156-N180 HydrophobicContact CG1-CB 4.3Å; V156-N180 WeakPolarHBondContact CG1-ND2 3.37Å; V156-A183 HydrophobicContact CB-CB 4.27Å; V156-A183 HydrophobicContact CG1-CB 3.95Å
157L78.8Confident64.4Low16 Ų1691.1 Ų91.18%0.08447%0.474CS..Hα-helixtrans-107-36.7-173.6-70.7172.7000114.6F153 C154 F155 A183 I184 M203F153-L157 WeakPolarHBondContact O-CD1 3.5Å; F153-L157 VanDerWaalsContact O-CG 3.29Å; F153-L157 WeakPolarHBondContact O-CG 3.36Å; F153-L157 PolarHBondContact O-N 3.01Å; C154-L157 PolarHBondContact O-N 3.48Å; F155-L157 VanDerWaalsContact C-N 3.32Å; L157-A183 HydrophobicContact CD1-CB 4.03Å; L157-A183 HydrophobicContact CD2-CB 3.86Å; L157-A183 HydrophobicContact CG-CB 3.75Å; L157-I184 HydrophobicContact CD1-CG1 4.38Å; L157-I184 HydrophobicContact CD2-CG1 3.68Å; L157-M203 HydrophobicContact CD1-CE 4.17Å
158D67.6Low62Low82 Ų8294.5 Ų94.544%0.43949%0.49SS..  trans-94.7114.4-156.2-71-22.9000113.1C154 V160 R187C154-D158 WeakPolarHBondContact CB-OD2 3.48Å; C154-D158 WeakPolarHBondContact O-CB 3.39Å; C154-D158 PolarHBondContact O-N 3.04Å; D158-V160 VanDerWaalsContact C-N 3.31Å; D158-V160 PolarHBondContact O-N 3.45Å; D158-R187 IonicContact OD1-NH1 3.61Å; D158-R187 PolarHBondContact OD1-NH1 3.26Å; D158-R187 VanDerWaalsContact OD1-NH1 3.12Å; D158-R187 IonicContact OD2-CZ 2.64Å; D158-R187 IonicContact OD2-NH1 2.81Å; D158-R187 PolarHBondContact OD2-NH1 2.94Å; D158-R187 IonicContact OD2-NH2 2.85Å
159K52.9Low59.9Low154 Ų15494.6 Ų94.667%0.6750%0.5SS*.  trans-68.683166.5-70.8-172.2172.5-172.20111.3
160V41Very low57.8Low84 Ų84103 Ų10351%0.50954%0.544SS..  trans57.299.4159.9-172.10000117.2D158D158-V160 VanDerWaalsContact C-N 3.31Å; D158-V160 PolarHBondContact O-N 3.45Å
161S37.6Very low56Low112 Ų112108 Ų10878%0.78357%0.566SS**  trans-178.3155134.937.40000108.3
162F36.7Very low54.1Low190 Ų190112.7 Ų112.783%0.83357%0.571SS**SBendcis-144.6-14.323.7-174.1-116.1000116
163F39Very low52.4Low183 Ų183119.5 Ų119.580%0.80360%0.603SS**SBendtrans-138.919.9-153-142.1-102.3000120.1
164T39.9Very low50.6Low151 Ų151130.1 Ų130.193%0.92664%0.643SS**  trans-124.7132.9172.835.70000113.3
165L34.4Very low49.3Very low150 Ų150132.9 Ų132.979%0.78565%0.652SS**  trans-101.6145.1-161.5-154.480.6000112.3I167L165-I167 PolarHBondContact O-N 3.44Å
166N34.7Very low48.3Very low144 Ų144130.3 Ų130.377%0.7764%0.642SS**  trans43.963.2151.5-66.4-5.6000119.6
167I45.4Very low47.8Very low164 Ų164133.2 Ų133.284%0.84166%0.657SS**  trans-125.9128.6149.3-65.1-174.8000109.8L165L165-I167 PolarHBondContact O-N 3.44Å
168H34Very low47.6Very low184 Ų184135.3 Ų135.385%0.85267%0.672SS**  trans-55.7138.1171.7-91.9-34.2000111.8
169C40.9Very low48.2Very low103 Ų103137 Ų13770%0.69668%0.681SS**  -175.2145.9122.6-107.40000112.3H171C169-H171 PolarHBondContact O-N 3.24Å
170L43.8Very low49.7Very low176 Ų176130.4 Ų130.492%0.92165%0.653SS**THydrogen-bonded Turntrans-77.81.8-174.6-78.3145.2000114.5R172L170-R172 VanDerWaalsContact C-N 3.32Å; L170-R172 PolarHBondContact O-N 2.93Å
171H48.1Very low52Low129 Ų129127.6 Ų127.660%0.59764%0.636SS**THydrogen-bonded Turntrans-86.38.7-174.5-64.8-67.3000115.3C169 E173 R174 F175C169-H171 PolarHBondContact O-N 3.24Å; H171-E173 PolarHBondContact O-N 3.34Å; H171-R174 PolarHBondContact O-N 3.33Å; H171-F175 HydrophobicContact CB-CE2 4.21Å; H171-F175 WeakPolarHBondContact O-CD2 3.25Å; H171-F175 WeakPolarHBondContact O-CE2 3.24Å
172R45.8Very low54.3Low161 Ų161125.8 Ų125.861%0.60862%0.622SS**G310 helixtrans-60.1-23.1-166.2-150.9-178.6-169.9168.97.4115L170 Q176L170-R172 VanDerWaalsContact C-N 3.32Å; L170-R172 PolarHBondContact O-N 2.93Å; R172-Q176 PolarHBondContact O-NE2 3.08Å
173E47.3Very low56.7Low176 Ų176116.8 Ų116.882%0.82258%0.582SS**G310 helixtrans-74.7-31.8-175.2-60.4-169146.800114H171 F175H171-E173 PolarHBondContact O-N 3.34Å; E173-F175 PolarHBondContact O-N 3.08Å
174R49.4Very low59.1Low229 Ų229108.2 Ų108.286%0.86455%0.545SS*.G310 helixtrans-70.3-11.6-174-79-171.6173.9-172.3-2.9115.2H171H171-R174 PolarHBondContact O-N 3.33Å
175F55.1Low61.5Low79 Ų79103.1 Ų103.135%0.34651%0.511SS..G310 helixtrans-105.2-6.7-170.6-58.5-80.7000114.6F125 H171 E173F125-F175 VanDerWaalsContact O-CD1 3.27Å; F125-F175 WeakPolarHBondContact O-CD1 3.19Å; F125-F175 VanDerWaalsContact O-CE1 3.23Å; F125-F175 WeakPolarHBondContact O-CE1 3.27Å; H171-F175 HydrophobicContact CB-CE2 4.21Å; H171-F175 WeakPolarHBondContact O-CD2 3.25Å; H171-F175 WeakPolarHBondContact O-CE2 3.24Å; E173-F175 PolarHBondContact O-N 3.08Å
176Q61.7Low64.1Low64 Ų6496.4 Ų96.430%0.29948%0.478SS..  trans-103.695.6-165.2-67.9176.657.200113.3R172 P178R172-Q176 PolarHBondContact O-NE2 3.08Å; Q176-P178 VanDerWaalsContact O-CD 3.31Å; Q176-P178 WeakPolarHBondContact O-CD 3.16Å
177D70.1Confident66.7Low66 Ų6691.9 Ų91.935%0.35345%0.451SS..  trans-112.587.5174-86.5-52.6000111.9K127 N179 N180K127-D177 VanDerWaalsContact CE-OD2 3.23Å; K127-D177 WeakPolarHBondContact CE-OD2 3.34Å; K127-D177 IonicContact NZ-OD2 2.82Å; K127-D177 PolarHBondContact NZ-OD2 3.06Å; D177-N179 PolarHBondContact O-N 3.46Å; D177-N180 HydrophobicContact CB-CB 3.85Å; D177-N180 WeakPolarHBondContact O-CB 3.33Å; D177-N180 PolarHBondContact O-N 3.17Å
178P73.2Confident68.9Low61 Ų6184.1 Ų84.140%0.39641%0.411SS..THydrogen-bonded Turntrans-64.7-13.7179.727.5-36.1000113.8Q176Q176-P178 VanDerWaalsContact O-CD 3.31Å; Q176-P178 WeakPolarHBondContact O-CD 3.16Å
179N81.1Confident71.5Confident118 Ų11876.7 Ų76.763%0.63138%0.381SS*.THydrogen-bonded Turntrans-99.311.7175.5-70-20.6000113.1D177 V181 A210D177-N179 PolarHBondContact O-N 3.46Å; N179-V181 PolarHBondContact O-N 3.4Å; N179-A210 HydrophobicContact CB-CB 4.09Å
180N85.2Confident73.8Confident15 Ų1571.8 Ų71.88%0.0835%0.348CS..  trans-68.692.5-177.2-168.75.4000112.4K127 V156 D177 P182 A183 I184K127-N180 VanDerWaalsContact CE-ND2 3.34Å; K127-N180 WeakPolarHBondContact CE-ND2 3.33Å; V156-N180 HydrophobicContact CG1-CB 4.3Å; V156-N180 WeakPolarHBondContact CG1-ND2 3.37Å; D177-N180 HydrophobicContact CB-CB 3.85Å; D177-N180 WeakPolarHBondContact O-CB 3.33Å; D177-N180 PolarHBondContact O-N 3.17Å; N180-P182 WeakPolarHBondContact OD1-CD 3.32Å; N180-A183 HydrophobicContact CB-CB 4.38Å; N180-A183 PolarHBondContact O-N 3.28Å; N180-I184 PolarHBondContact O-N 3.44Å
181V87.7Confident76.1Confident25 Ų2564.9 Ų64.915%0.15231%0.312CS..Hα-helixtrans-51.1-48.2-171.6171.80000113.8N179 A183 I184 L185 A207 A210 A211N179-V181 PolarHBondContact O-N 3.4Å; V181-A183 VanDerWaalsContact C-N 3.35Å; V181-A183 PolarHBondContact O-N 3.35Å; V181-I184 PolarHBondContact O-N 3.24Å; V181-I184 VanDerWaalsContact O-N 3.16Å; V181-L185 HydrophobicContact CG1-CD1 3.69Å; V181-L185 HydrophobicContact CG1-CG 4.11Å; V181-L185 VanDerWaalsContact O-CG 3.3Å; V181-L185 WeakPolarHBondContact O-CG 3.41Å; V181-L185 PolarHBondContact O-N 3.45Å; V181-A207 HydrophobicContact CG1-CB 4.27Å; V181-A210 HydrophobicContact CG2-CB 3.71Å; V181-A211 HydrophobicContact CG2-CB 3.86Å
182P86.7Confident78.1Confident74 Ų7462 Ų6248%0.48130%0.296SS..Hα-helixtrans-50.3-44.8172.6-31.536.1000115.3L131 N180 L185 G186L131-P182 HydrophobicContact CD1-CB 4.34Å; L131-P182 HydrophobicContact CD2-CB 4.22Å; N180-P182 WeakPolarHBondContact OD1-CD 3.32Å; P182-L185 PolarHBondContact O-N 2.93Å; P182-G186 PolarHBondContact O-N 3.48Å
183A87Confident80Confident0 Ų060.9 Ų60.90%030%0.295CS..Hα-helixtrans-67.6-40.2178.400000112.1L131 F153 V156 L157 N180 V181 L185 G186 R187L131-A183 HydrophobicContact CD2-CB 3.82Å; F153-A183 HydrophobicContact CD1-CB 4.18Å; V156-A183 HydrophobicContact CB-CB 4.27Å; V156-A183 HydrophobicContact CG1-CB 3.95Å; L157-A183 HydrophobicContact CD1-CB 4.03Å; L157-A183 HydrophobicContact CD2-CB 3.86Å; L157-A183 HydrophobicContact CG-CB 3.75Å; N180-A183 HydrophobicContact CB-CB 4.38Å; N180-A183 PolarHBondContact O-N 3.28Å; V181-A183 VanDerWaalsContact C-N 3.35Å; V181-A183 PolarHBondContact O-N 3.35Å; A183-L185 VanDerWaalsContact C-N 3.31Å; A183-L185 PolarHBondContact O-N 3.06Å; A183-G186 PolarHBondContact O-N 3.27Å; A183-R187 WeakPolarHBondContact O-CB 3.36Å; A183-R187 PolarHBondContact O-N 2.91Å
184I90.1Very high81.9Confident4 Ų458.7 Ų58.72%0.02128%0.28CS..Hα-helixtrans-61.6-42176.1-56.8174.1000110.4L157 N180 V181 A188 M203 K206 A207L157-I184 HydrophobicContact CD1-CG1 4.38Å; L157-I184 HydrophobicContact CD2-CG1 3.68Å; N180-I184 PolarHBondContact O-N 3.44Å; V181-I184 PolarHBondContact O-N 3.24Å; V181-I184 VanDerWaalsContact O-N 3.16Å; I184-A188 WeakPolarHBondContact O-CB 3.44Å; I184-A188 PolarHBondContact O-N 3.41Å; I184-M203 HydrophobicContact CG2-CB 4Å; I184-M203 HydrophobicContact CG2-CE 4.25Å; I184-M203 WeakPolarHBondContact CG2-O 3.41Å; I184-K206 HydrophobicContact CD1-CB 4.35Å; I184-K206 HydrophobicContact CG2-CB 4.06Å; I184-A207 HydrophobicContact CB-CB 4.38Å; I184-A207 HydrophobicContact CG2-CB 3.97Å
185L90.3Very high83.8Confident43 Ų4349.4 Ų49.423%0.22526%0.255CS..Hα-helixtrans-69.9-40.1178.5-66.3174000112.5V181 P182 A183 A188 A189 Y204 A207 V218V181-L185 HydrophobicContact CG1-CD1 3.69Å; V181-L185 HydrophobicContact CG1-CG 4.11Å; V181-L185 VanDerWaalsContact O-CG 3.3Å; V181-L185 WeakPolarHBondContact O-CG 3.41Å; V181-L185 PolarHBondContact O-N 3.45Å; P182-L185 PolarHBondContact O-N 2.93Å; A183-L185 VanDerWaalsContact C-N 3.31Å; A183-L185 PolarHBondContact O-N 3.06Å; L185-A188 WeakPolarHBondContact O-CB 3.44Å; L185-A188 PolarHBondContact O-N 2.95Å; L185-A189 PolarHBondContact O-N 2.96Å; L185-Y204 HydrophobicContact CD2-CD1 3.68Å; L185-Y204 HydrophobicContact CD2-CE1 3.83Å; L185-A207 HydrophobicContact CD2-CB 3.75Å; L185-A207 HydrophobicContact CG-CB 4.18Å; L185-V218 HydrophobicContact CD1-CG2 3.79Å; L185-V218 HydrophobicContact CD2-CB 4.44Å; L185-V218 HydrophobicContact CD2-CG1 3.8Å; L185-V218 HydrophobicContact CD2-CG2 3.99Å
186G88Confident85.5Confident9 Ų949 Ų499%0.09326%0.257CS..Hα-helixtrans-58.6-50.9173.500000111.9P182 A183 A188 A189 I190P182-G186 PolarHBondContact O-N 3.48Å; A183-G186 PolarHBondContact O-N 3.27Å; G186-A188 VanDerWaalsContact C-N 3.33Å; G186-A188 PolarHBondContact O-N 2.74Å; G186-A189 PolarHBondContact O-N 3.28Å; G186-I190 WeakPolarHBondContact O-CG1 3.24Å; G186-I190 PolarHBondContact O-N 3.37Å
187R89.6Confident87.1Confident50 Ų5049 Ų4919%0.18925%0.254CS..Hα-helixtrans-63.1-36.2176-167.3162.2173.2-171.48.7112.4F153 C154 D158 A183 I190 M191 M203F153-R187 HydrophobicContact CB-CB 4.39Å; C154-R187 PolarHBondContact SG-NE 3.49Å; C154-R187 VanDerWaalsContact SG-NE 3.37Å; C154-R187 PolarHBondContact SG-NH2 2.88Å; D158-R187 IonicContact OD1-NH1 3.61Å; D158-R187 PolarHBondContact OD1-NH1 3.26Å; D158-R187 VanDerWaalsContact OD1-NH1 3.12Å; D158-R187 IonicContact OD2-CZ 2.64Å; D158-R187 IonicContact OD2-NH1 2.81Å; D158-R187 PolarHBondContact OD2-NH1 2.94Å; D158-R187 IonicContact OD2-NH2 2.85Å; A183-R187 WeakPolarHBondContact O-CB 3.36Å; A183-R187 PolarHBondContact O-N 2.91Å; R187-I190 PolarHBondContact O-N 2.92Å; R187-M191 HydrophobicContact CG-CE 4.18Å; R187-M191 HydrophobicContact CG-SD 4.47Å; R187-M191 WeakPolarHBondContact O-CG 3.43Å; R187-M191 PolarHBondContact O-N 3.32Å; R187-M203 HydrophobicContact CB-CE 4.07Å; R187-M203 HydrophobicContact CG-CE 3.94Å
188A91.7Very high88.2Confident0 Ų051.5 Ų51.50%027%0.267CS..Hα-helixtrans-63.1-41.7173.300000112.8I184 L185 G186 M191 Y192 A200 M203 Y204I184-A188 WeakPolarHBondContact O-CB 3.44Å; I184-A188 PolarHBondContact O-N 3.41Å; L185-A188 WeakPolarHBondContact O-CB 3.44Å; L185-A188 PolarHBondContact O-N 2.95Å; G186-A188 VanDerWaalsContact C-N 3.33Å; G186-A188 PolarHBondContact O-N 2.74Å; A188-M191 PolarHBondContact O-N 2.95Å; A188-Y192 WeakPolarHBondContact O-CB 3.38Å; A188-Y192 PolarHBondContact O-N 3.39Å; A188-A200 WeakPolarHBondContact O-CB 3.42Å; A188-M203 HydrophobicContact CB-CB 3.7Å; A188-Y204 HydrophobicContact CB-CD1 3.99Å; A188-Y204 HydrophobicContact CB-CD2 3.99Å; A188-Y204 HydrophobicContact CB-CE1 3.79Å; A188-Y204 HydrophobicContact CB-CE2 3.79Å; A188-Y204 HydrophobicContact CB-CG 4.06Å
189A88.9Confident89.1Confident28 Ų2849.3 Ų49.323%0.23126%0.255CS..Hα-helixtrans-67.1-36.4176.700000112.3L185 G186 Y192 K193L185-A189 PolarHBondContact O-N 2.96Å; G186-A189 PolarHBondContact O-N 3.28Å; A189-Y192 PolarHBondContact O-N 3.31Å; A189-K193 WeakPolarHBondContact O-CG 3.43Å; A189-K193 PolarHBondContact O-N 2.92Å
190I89.2Confident89.7Confident0 Ų043.7 Ų43.70%023%0.225CC..Hα-helixtrans-65.9-46.5173.6-66.6173.7000110.8L138 V146 A149 D150 F153 G186 R187 Y192 K193 R194L138-I190 HydrophobicContact CD1-CD1 4.12Å; L138-I190 HydrophobicContact CD1-CG1 3.55Å; V146-I190 HydrophobicContact CG1-CG1 4.3Å; V146-I190 HydrophobicContact CG1-CG2 3.97Å; A149-I190 HydrophobicContact CB-CD1 4.02Å; D150-I190 HydrophobicContact CB-CD1 3.83Å; D150-I190 HydrophobicContact CB-CG2 4.21Å; F153-I190 HydrophobicContact CD2-CD1 3.79Å; F153-I190 HydrophobicContact CE2-CD1 4.02Å; G186-I190 WeakPolarHBondContact O-CG1 3.24Å; G186-I190 PolarHBondContact O-N 3.37Å; R187-I190 PolarHBondContact O-N 2.92Å; I190-Y192 VanDerWaalsContact C-N 3.33Å; I190-Y192 PolarHBondContact O-N 3.38Å; I190-K193 PolarHBondContact O-N 3.5Å; I190-R194 WeakPolarHBondContact O-CG 3.41Å; I190-R194 PolarHBondContact O-N 3.45Å
191M91.3Very high90Very high32 Ų3243.5 Ų43.516%0.15822%0.224CC..Hα-helixtrans-57.7-44.5175.1-74.1169.5167.200111.6R187 A188 R194 G195 D196 A200 M203R187-M191 HydrophobicContact CG-CE 4.18Å; R187-M191 HydrophobicContact CG-SD 4.47Å; R187-M191 WeakPolarHBondContact O-CG 3.43Å; R187-M191 PolarHBondContact O-N 3.32Å; A188-M191 PolarHBondContact O-N 2.95Å; M191-R194 PolarHBondContact O-N 3.32Å; M191-G195 PolarHBondContact O-N 3.02Å; M191-G195 VanDerWaalsContact O-N 3.16Å; M191-D196 HydrophobicContact CB-CB 4.4Å; M191-D196 PolarHBondContact O-N 2.83Å; M191-A200 HydrophobicContact CB-CB 3.88Å; M191-M203 HydrophobicContact CE-CG 4.35Å; M191-M203 HydrophobicContact SD-CG 3.63Å
192Y91.1Very high90.3Very high69 Ų6945 Ų4527%0.27124%0.235SC..Hα-helixtrans-62.1-43.6175.5-175.5-91.9000112.4A188 A189 I190 R194 G195 Y197 K228A188-Y192 WeakPolarHBondContact O-CB 3.38Å; A188-Y192 PolarHBondContact O-N 3.39Å; A189-Y192 PolarHBondContact O-N 3.31Å; I190-Y192 VanDerWaalsContact C-N 3.33Å; I190-Y192 PolarHBondContact O-N 3.38Å; Y192-R194 VanDerWaalsContact C-N 3.3Å; Y192-R194 PolarHBondContact O-N 2.95Å; Y192-G195 PolarHBondContact O-N 3.35Å; Y192-G195 VanDerWaalsContact O-N 3.12Å; Y192-Y197 AromaticContact CD2-CD1 3.6Å; Y192-Y197 HydrophobicContact CD2-CD1 3.6Å; Y192-Y197 AromaticContact CD2-CE1 3.87Å; Y192-Y197 HydrophobicContact CD2-CE1 3.87Å; Y192-Y197 AromaticContact CE2-CD1 3.76Å; Y192-Y197 HydrophobicContact CE2-CD1 3.76Å; Y192-Y197 AromaticContact CE2-CE1 3.78Å; Y192-Y197 HydrophobicContact CE2-CE1 3.78Å; Y192-Y197 HydrophobicContact CG-CD1 4.43Å; Y192-Y197 HydrophobicContact CG-CE1 4.45Å; Y192-K228 HydrophobicContact CE2-CG 4.06Å
193K84.8Confident90.5Very high136 Ų13641.9 Ų41.959%0.59121%0.214SC*.Hα-helixtrans-63-31.4174.1-79.9-174177-176.70113.1A189 I190 G195A189-K193 WeakPolarHBondContact O-CG 3.43Å; A189-K193 PolarHBondContact O-N 2.92Å; I190-K193 PolarHBondContact O-N 3.5Å; K193-G195 VanDerWaalsContact C-N 3.31Å
194R87.7Confident90.7Very high131 Ų13143 Ų4349%0.49422%0.219SC..THydrogen-bonded Turntrans-80.4-5.6174.6-70.8-177.4-176.9146.80.5114D150 I190 M191 Y192D150-R194 IonicContact OD2-CZ 3.7Å; D150-R194 IonicContact OD2-NH1 3.17Å; D150-R194 PolarHBondContact OD2-NH1 3.1Å; D150-R194 IonicContact OD2-NH2 3.77Å; D150-R194 PolarHBondContact OD2-NH2 3.11Å; I190-R194 WeakPolarHBondContact O-CG 3.41Å; I190-R194 PolarHBondContact O-N 3.45Å; M191-R194 PolarHBondContact O-N 3.32Å; Y192-R194 VanDerWaalsContact C-N 3.3Å; Y192-R194 PolarHBondContact O-N 2.95Å
195G88.4Confident90.8Very high34 Ų3448.2 Ų48.235%0.35124%0.238SC..THydrogen-bonded Turntrans84.60.8-176.600000115M191 Y192 K193 Y197M191-G195 PolarHBondContact O-N 3.02Å; M191-G195 VanDerWaalsContact O-N 3.16Å; Y192-G195 PolarHBondContact O-N 3.35Å; Y192-G195 VanDerWaalsContact O-N 3.12Å; K193-G195 VanDerWaalsContact C-N 3.31Å; G195-Y197 VanDerWaalsContact C-N 3.25Å; G195-Y197 WeakPolarHBondContact O-CD2 3.38Å; G195-Y197 PolarHBondContact O-N 3.45Å
196D92.4Very high90.7Very high71 Ų7150.9 Ų50.938%0.3825%0.248SC..  trans-8076.3171.9-179.515.9000110.6M191 I198 G199 A200M191-D196 HydrophobicContact CB-CB 4.4Å; M191-D196 PolarHBondContact O-N 2.83Å; D196-I198 PolarHBondContact O-N 2.75Å; D196-I198 PolarHBondContact OD1-N 3.49Å; D196-G199 PolarHBondContact OD1-N 2.75Å; D196-G199 VanDerWaalsContact OD2-CA 3.31Å; D196-G199 WeakPolarHBondContact OD2-CA 3.34Å; D196-G199 PolarHBondContact OD2-N 3Å; D196-A200 VanDerWaalsContact O-CB 3.28Å; D196-A200 WeakPolarHBondContact O-CB 3.21Å; D196-A200 PolarHBondContact O-N 2.95Å
197Y94.3Very high90.8Very high63 Ų6350.5 Ų50.525%0.24724%0.244CC..Hα-helixtrans-65.9-20.9177.4-50.3-52.3000112.7Y192 G195 L201 K228Y192-Y197 AromaticContact CD2-CD1 3.6Å; Y192-Y197 HydrophobicContact CD2-CD1 3.6Å; Y192-Y197 AromaticContact CD2-CE1 3.87Å; Y192-Y197 HydrophobicContact CD2-CE1 3.87Å; Y192-Y197 AromaticContact CE2-CD1 3.76Å; Y192-Y197 HydrophobicContact CE2-CD1 3.76Å; Y192-Y197 AromaticContact CE2-CE1 3.78Å; Y192-Y197 HydrophobicContact CE2-CE1 3.78Å; Y192-Y197 HydrophobicContact CG-CD1 4.43Å; Y192-Y197 HydrophobicContact CG-CE1 4.45Å; G195-Y197 VanDerWaalsContact C-N 3.25Å; G195-Y197 WeakPolarHBondContact O-CD2 3.38Å; G195-Y197 PolarHBondContact O-N 3.45Å; Y197-L201 WeakPolarHBondContact O-CB 3.46Å; Y197-L201 PolarHBondContact O-N 2.74Å; Y197-K228 HydrophobicContact CD1-CB 3.89Å; Y197-K228 HydrophobicContact CD1-CG 4.23Å; Y197-K228 HydrophobicContact CD2-CB 3.72Å; Y197-K228 HydrophobicContact CE1-CB 3.94Å; Y197-K228 HydrophobicContact CE1-CD 4.43Å; Y197-K228 HydrophobicContact CE1-CG 3.87Å; Y197-K228 HydrophobicContact CE2-CB 3.75Å; Y197-K228 HydrophobicContact CE2-CD 4.41Å; Y197-K228 HydrophobicContact CE2-CG 4.28Å; Y197-K228 HydrophobicContact CG-CB 3.79Å
198I93.9Very high90.8Very high119 Ų11949.8 Ų49.861%0.6124%0.244SC*.Hα-helixtrans-82-46.6-178.7-57.6179.7000110D196 L201 S202 L229D196-I198 PolarHBondContact O-N 2.75Å; D196-I198 PolarHBondContact OD1-N 3.49Å; I198-L201 PolarHBondContact O-N 2.78Å; I198-S202 WeakPolarHBondContact O-CB 3.45Å; I198-S202 PolarHBondContact O-N 2.91Å; I198-L229 HydrophobicContact CG1-CD1 4.48Å; I198-L229 HydrophobicContact CG1-CD2 3.93Å
199G91.3Very high90.7Very high14 Ų1459.2 Ų59.214%0.14428%0.279CS..Hα-helixtrans-60.2-47.2170.200000111.7D196 L201 S202 M203D196-G199 PolarHBondContact OD1-N 2.75Å; D196-G199 VanDerWaalsContact OD2-CA 3.31Å; D196-G199 WeakPolarHBondContact OD2-CA 3.34Å; D196-G199 PolarHBondContact OD2-N 3Å; G199-L201 PolarHBondContact O-N 2.95Å; G199-S202 WeakPolarHBondContact O-CA 3.2Å; G199-S202 VanDerWaalsContact O-CB 3.3Å; G199-S202 WeakPolarHBondContact O-CB 3.36Å; G199-S202 PolarHBondContact O-N 3.08Å; G199-S202 VanDerWaalsContact O-N 3.09Å; G199-M203 WeakPolarHBondContact O-CG 3.48Å; G199-M203 PolarHBondContact O-N 3.37Å
200A93.5Very high90.6Very high0 Ų059.8 Ų59.80%028%0.283CS..Hα-helixtrans-55.8-49.1175.100000112A188 M191 D196 S202 M203 Y204A188-A200 WeakPolarHBondContact O-CB 3.42Å; M191-A200 HydrophobicContact CB-CB 3.88Å; D196-A200 VanDerWaalsContact O-CB 3.28Å; D196-A200 WeakPolarHBondContact O-CB 3.21Å; D196-A200 PolarHBondContact O-N 2.95Å; A200-S202 VanDerWaalsContact C-N 3.29Å; A200-S202 PolarHBondContact O-N 2.96Å; A200-M203 PolarHBondContact O-N 2.91Å; A200-M203 VanDerWaalsContact O-N 3.16Å; A200-Y204 HydrophobicContact CB-CD2 4.5Å; A200-Y204 HydrophobicContact CB-CE2 4.32Å; A200-Y204 WeakPolarHBondContact O-CD2 3.35Å; A200-Y204 PolarHBondContact O-N 3.27Å
201L93.2Very high90.4Very high11 Ų1161.2 Ų61.26%0.05830%0.295CS..Hα-helixtrans-59.7-38.1176.3-168.781.5000112.2Y197 I198 G199 R205 L222 C225 F226 L229Y197-L201 WeakPolarHBondContact O-CB 3.46Å; Y197-L201 PolarHBondContact O-N 2.74Å; I198-L201 PolarHBondContact O-N 2.78Å; G199-L201 PolarHBondContact O-N 2.95Å; L201-R205 WeakPolarHBondContact O-CB 3.43Å; L201-R205 WeakPolarHBondContact O-CD 3.32Å; L201-R205 WeakPolarHBondContact O-CG 3.3Å; L201-R205 PolarHBondContact O-N 3.16Å; L201-R205 VanDerWaalsContact O-N 3.07Å; L201-L222 HydrophobicContact CD1-CD2 3.59Å; L201-L222 HydrophobicContact CG-CD2 4.29Å; L201-C225 HydrophobicContact CB-CB 4.15Å; L201-C225 HydrophobicContact CD1-CB 3.66Å; L201-F226 HydrophobicContact CD1-CD1 3.99Å; L201-F226 HydrophobicContact CD1-CD2 4.45Å; L201-F226 HydrophobicContact CD1-CE1 3.77Å; L201-F226 HydrophobicContact CD1-CE2 4.26Å; L201-F226 HydrophobicContact CD1-CG 4.32Å; L201-F226 HydrophobicContact CD1-CZ 3.92Å; L201-F226 HydrophobicContact CD2-CD1 4.48Å; L201-F226 HydrophobicContact CD2-CE1 4.02Å; L201-L229 HydrophobicContact CD2-CD1 4.17Å
202S92.1Very high90Very high56 Ų5663.6 Ų63.639%0.39231%0.313SS..Hα-helixtrans-63.4-44.3174.9-169.50000111.7I198 G199 A200 R205 K206I198-S202 WeakPolarHBondContact O-CB 3.45Å; I198-S202 PolarHBondContact O-N 2.91Å; G199-S202 WeakPolarHBondContact O-CA 3.2Å; G199-S202 VanDerWaalsContact O-CB 3.3Å; G199-S202 WeakPolarHBondContact O-CB 3.36Å; G199-S202 PolarHBondContact O-N 3.08Å; G199-S202 VanDerWaalsContact O-N 3.09Å; A200-S202 VanDerWaalsContact C-N 3.29Å; A200-S202 PolarHBondContact O-N 2.96Å; S202-R205 WeakPolarHBondContact O-CB 3.4Å; S202-R205 PolarHBondContact O-N 3.43Å; S202-K206 WeakPolarHBondContact O-CG 3.5Å; S202-K206 PolarHBondContact O-N 2.99Å
203M90.8Very high89.7Confident9 Ų968 Ų684%0.04434%0.341CS..Hα-helixtrans-70.4-44.4179.7-62.6-59.5-88.300112L157 I184 R187 A188 M191 G199 A200 R205 K206 A207L157-M203 HydrophobicContact CD1-CE 4.17Å; I184-M203 HydrophobicContact CG2-CB 4Å; I184-M203 HydrophobicContact CG2-CE 4.25Å; I184-M203 WeakPolarHBondContact CG2-O 3.41Å; R187-M203 HydrophobicContact CB-CE 4.07Å; R187-M203 HydrophobicContact CG-CE 3.94Å; A188-M203 HydrophobicContact CB-CB 3.7Å; M191-M203 HydrophobicContact CE-CG 4.35Å; M191-M203 HydrophobicContact SD-CG 3.63Å; G199-M203 WeakPolarHBondContact O-CG 3.48Å; G199-M203 PolarHBondContact O-N 3.37Å; A200-M203 PolarHBondContact O-N 2.91Å; A200-M203 VanDerWaalsContact O-N 3.16Å; M203-R205 PolarHBondContact O-N 3.29Å; M203-K206 WeakPolarHBondContact O-CA 3.33Å; M203-K206 WeakPolarHBondContact O-CB 3.34Å; M203-K206 PolarHBondContact O-N 2.94Å; M203-K206 HydrophobicContact SD-CD 3.75Å; M203-K206 PolarHBondContact SD-NZ 3.05Å; M203-K206 VanDerWaalsContact SD-NZ 3.4Å; M203-A207 PolarHBondContact O-N 3.47Å
204Y92.2Very high89.4Confident25 Ų2562 Ų6210%0.09832%0.317CS..Hα-helixtrans-58.4-35.5172-72.8-59.5000112.6L185 A188 A200 A207 L208 V218 L222L185-Y204 HydrophobicContact CD2-CD1 3.68Å; L185-Y204 HydrophobicContact CD2-CE1 3.83Å; A188-Y204 HydrophobicContact CB-CD1 3.99Å; A188-Y204 HydrophobicContact CB-CD2 3.99Å; A188-Y204 HydrophobicContact CB-CE1 3.79Å; A188-Y204 HydrophobicContact CB-CE2 3.79Å; A188-Y204 HydrophobicContact CB-CG 4.06Å; A200-Y204 HydrophobicContact CB-CD2 4.5Å; A200-Y204 HydrophobicContact CB-CE2 4.32Å; A200-Y204 WeakPolarHBondContact O-CD2 3.35Å; A200-Y204 PolarHBondContact O-N 3.27Å; Y204-A207 PolarHBondContact O-N 3.09Å; Y204-L208 PolarHBondContact O-N 3.41Å; Y204-L208 VanDerWaalsContact O-N 3.14Å; Y204-V218 HydrophobicContact CD1-CG1 4.48Å; Y204-L222 VanDerWaalsContact CB-CD2 3.46Å; Y204-L222 HydrophobicContact CG-CD2 4.42Å
205R91.3Very high89.2Confident112 Ų11259.8 Ų59.842%0.42332%0.319SS..Hα-helixtrans-67.6-35.2172.1-75.3167.9174.7-177.9-2.2113.2L201 S202 M203 R209 L222L201-R205 WeakPolarHBondContact O-CB 3.43Å; L201-R205 WeakPolarHBondContact O-CD 3.32Å; L201-R205 WeakPolarHBondContact O-CG 3.3Å; L201-R205 PolarHBondContact O-N 3.16Å; L201-R205 VanDerWaalsContact O-N 3.07Å; S202-R205 WeakPolarHBondContact O-CB 3.4Å; S202-R205 PolarHBondContact O-N 3.43Å; M203-R205 PolarHBondContact O-N 3.29Å; R205-R209 WeakPolarHBondContact O-CG 3.5Å; R205-R209 PolarHBondContact O-N 2.88Å; R205-L222 HydrophobicContact CG-CD2 4.2Å
206K89.1Confident89.1Confident100 Ų10058.4 Ų58.444%0.43530%0.304SS..Hα-helixtrans-65.6-45.3171.9-69.1176.3-171.6174.90111I184 S202 M203 L208 R209 A210I184-K206 HydrophobicContact CD1-CB 4.35Å; I184-K206 HydrophobicContact CG2-CB 4.06Å; S202-K206 WeakPolarHBondContact O-CG 3.5Å; S202-K206 PolarHBondContact O-N 2.99Å; M203-K206 WeakPolarHBondContact O-CA 3.33Å; M203-K206 WeakPolarHBondContact O-CB 3.34Å; M203-K206 PolarHBondContact O-N 2.94Å; M203-K206 HydrophobicContact SD-CD 3.75Å; M203-K206 PolarHBondContact SD-NZ 3.05Å; M203-K206 VanDerWaalsContact SD-NZ 3.4Å; K206-L208 VanDerWaalsContact C-N 3.33Å; K206-L208 PolarHBondContact O-N 3.25Å; K206-R209 PolarHBondContact O-N 3.06Å; K206-A210 PolarHBondContact O-N 3.14Å
207A89.7Confident88.8Confident0 Ų058.8 Ų58.80%030%0.304CS..Hα-helixtrans-56.5-44.917800000112.3V181 I184 L185 M203 Y204 R209 A210 A211V181-A207 HydrophobicContact CG1-CB 4.27Å; I184-A207 HydrophobicContact CB-CB 4.38Å; I184-A207 HydrophobicContact CG2-CB 3.97Å; L185-A207 HydrophobicContact CD2-CB 3.75Å; L185-A207 HydrophobicContact CG-CB 4.18Å; M203-A207 PolarHBondContact O-N 3.47Å; Y204-A207 PolarHBondContact O-N 3.09Å; A207-R209 VanDerWaalsContact C-N 3.32Å; A207-R209 PolarHBondContact O-N 3.42Å; A207-A210 PolarHBondContact O-N 2.97Å; A207-A211 PolarHBondContact O-N 3.25Å
208L88.9Confident88.5Confident36 Ų3656.2 Ų56.219%0.18830%0.295CS..Hα-helixtrans-66.3-26.7176.1-82.6162.4000114.7Y204 K206 A211 P212 C214 V218 R219 L222Y204-L208 PolarHBondContact O-N 3.41Å; Y204-L208 VanDerWaalsContact O-N 3.14Å; K206-L208 VanDerWaalsContact C-N 3.33Å; K206-L208 PolarHBondContact O-N 3.25Å; L208-A211 CarbonylContact O-C 3.56Å; L208-P212 WeakPolarHBondContact O-CA 3.39Å; L208-C214 WeakPolarHBondContact CD2-SG 3.39Å; L208-V218 HydrophobicContact CG-CG1 4.31Å; L208-R219 HydrophobicContact CD2-CG 4.24Å; L208-L222 HydrophobicContact CD1-CD1 3.37Å; L208-L222 HydrophobicContact CD1-CG 4.24Å
209R89.9Confident88.4Confident198 Ų19852.2 Ų52.275%0.74727%0.272SS*.Hα-helixtrans-77.8-36.7173.8-71169.6-177.8157.8-2.8111.7R205 K206 A207R205-R209 WeakPolarHBondContact O-CG 3.5Å; R205-R209 PolarHBondContact O-N 2.88Å; K206-R209 PolarHBondContact O-N 3.06Å; A207-R209 VanDerWaalsContact C-N 3.32Å; A207-R209 PolarHBondContact O-N 3.42Å
210A86.6Confident88.3Confident39 Ų3951.8 Ų51.832%0.32227%0.266SS..Hα-helixtrans-72.7-35.6176.900000112.4N179 V181 K206 A207N179-A210 HydrophobicContact CB-CB 4.09Å; V181-A210 HydrophobicContact CG2-CB 3.71Å; K206-A210 PolarHBondContact O-N 3.14Å; A207-A210 PolarHBondContact O-N 2.97Å
211A85.2Confident88.1Confident30 Ų3052 Ų5225%0.24827%0.269CS..  trans-137.696.817300000111.4V181 A207 L208 N213 C214V181-A211 HydrophobicContact CG2-CB 3.86Å; A207-A211 PolarHBondContact O-N 3.25Å; L208-A211 CarbonylContact O-C 3.56Å; A211-N213 PolarHBondContact O-N 2.87Å; A211-C214 HydrophobicContact CB-CB 4.35Å; A211-C214 WeakPolarHBondContact O-CB 3.41Å; A211-C214 PolarHBondContact O-N 3.37Å
212P83.8Confident88Confident83 Ų8352.4 Ų52.454%0.53927%0.271SS..THydrogen-bonded Turntrans-64.6-32176.425.3-33.7000112.1L208 C214 R219L208-P212 WeakPolarHBondContact O-CA 3.39Å; P212-C214 PolarHBondContact O-N 3.45Å; P212-R219 PolarHBondContact O-NH2 2.95Å
213N84Confident88Confident160 Ų16049.7 Ų49.786%0.85625%0.252SS*.THydrogen-bonded Turntrans-83.121.4177.7-63.81.3000112.9A211A211-N213 PolarHBondContact O-N 2.87Å
214C79Confident88Confident11 Ų1153.4 Ų53.47%0.07427%0.266CS..  trans-62.4152.9175.177.90000111.5L208 A211 P212 V218 R219L208-C214 WeakPolarHBondContact CD2-SG 3.39Å; A211-C214 HydrophobicContact CB-CB 4.35Å; A211-C214 WeakPolarHBondContact O-CB 3.41Å; A211-C214 PolarHBondContact O-N 3.37Å; P212-C214 PolarHBondContact O-N 3.45Å; C214-V218 HydrophobicContact CB-CB 4.43Å; C214-V218 HydrophobicContact CB-CG2 4.13Å; C214-V218 VanDerWaalsContact SG-CB 3.59Å; C214-R219 PolarHBondContact O-NH1 3.25Å; C214-R219 PolarHBondContact SG-NH1 3.06Å
215P83.8Confident88.1Confident85 Ų8552.2 Ų52.255%0.55226%0.262SS*.  trans-63.7162.5-178.727.9-36.2000112.6E217 V218P215-E217 WeakPolarHBondContact CB-OE2 3.31Å; P215-E217 PolarHBondContact O-N 3.37Å; P215-V218 HydrophobicContact CG-CG2 4.39Å; P215-V218 PolarHBondContact O-N 2.97Å
216S86.3Confident88.2Confident5 Ų547.8 Ų47.84%0.03525%0.246CC..THydrogen-bonded Turntrans-57.2-33-173.258.70000113.8V218 R219 L220 A242 N249S216-V218 VanDerWaalsContact C-N 3.26Å; S216-V218 PolarHBondContact O-N 2.93Å; S216-R219 WeakPolarHBondContact O-CB 3.15Å; S216-R219 PolarHBondContact O-N 3.38Å; S216-L220 PolarHBondContact O-N 2.93Å; S216-A242 WeakPolarHBondContact CB-O 3.45Å; S216-N249 PolarHBondContact OG-ND2 3.38Å
217E86Confident88.2Confident78 Ų7847.2 Ų47.236%0.36424%0.243SC..Hα-helixtrans-61.8-30.5-175.9-66.578.6174.500111.7P215 R219 L220 G221 K246P215-E217 WeakPolarHBondContact CB-OE2 3.31Å; P215-E217 PolarHBondContact O-N 3.37Å; E217-R219 VanDerWaalsContact C-N 3.28Å; E217-R219 PolarHBondContact O-N 3.41Å; E217-L220 WeakPolarHBondContact O-CB 3.42Å; E217-L220 PolarHBondContact O-N 3.45Å; E217-G221 PolarHBondContact O-N 3.3Å; E217-K246 IonicContact OE1-NZ 2.88Å; E217-K246 PolarHBondContact OE1-NZ 3.05Å
218V88.5Confident88.2Confident10 Ų1052.5 Ų52.56%0.06127%0.266CS..Hα-helixtrans-65.3-31.4173.1175.50000112.2L185 Y204 L208 C214 P215 S216 G221L185-V218 HydrophobicContact CD1-CG2 3.79Å; L185-V218 HydrophobicContact CD2-CB 4.44Å; L185-V218 HydrophobicContact CD2-CG1 3.8Å; L185-V218 HydrophobicContact CD2-CG2 3.99Å; Y204-V218 HydrophobicContact CD1-CG1 4.48Å; L208-V218 HydrophobicContact CG-CG1 4.31Å; C214-V218 HydrophobicContact CB-CB 4.43Å; C214-V218 HydrophobicContact CB-CG2 4.13Å; C214-V218 VanDerWaalsContact SG-CB 3.59Å; P215-V218 HydrophobicContact CG-CG2 4.39Å; P215-V218 PolarHBondContact O-N 2.97Å; S216-V218 VanDerWaalsContact C-N 3.26Å; S216-V218 PolarHBondContact O-N 2.93Å; V218-G221 PolarHBondContact O-N 2.88Å
219R90.4Very high88.4Confident34 Ų3453.3 Ų53.313%0.12827%0.27CS..Hα-helixtrans-80.3-20.2179.2-64.3174.1178.681.7-2.2112L208 P212 C214 S216 E217 L222 A223 A242 L245L208-R219 HydrophobicContact CD2-CG 4.24Å; P212-R219 PolarHBondContact O-NH2 2.95Å; C214-R219 PolarHBondContact O-NH1 3.25Å; C214-R219 PolarHBondContact SG-NH1 3.06Å; S216-R219 WeakPolarHBondContact O-CB 3.15Å; S216-R219 PolarHBondContact O-N 3.38Å; E217-R219 VanDerWaalsContact C-N 3.28Å; E217-R219 PolarHBondContact O-N 3.41Å; R219-L222 WeakPolarHBondContact O-CB 3.4Å; R219-L222 PolarHBondContact O-N 3.45Å; R219-A223 PolarHBondContact O-N 2.95Å; R219-A223 VanDerWaalsContact O-N 3.07Å; R219-A242 HydrophobicContact CB-CB 4.23Å; R219-L245 VanDerWaalsContact CZ-CD1 3.44Å; R219-L245 VanDerWaalsContact NH1-CD1 3.28Å
220L90.7Very high88.3Confident5 Ų546.5 Ų46.53%0.02626%0.262CS..Hα-helixtrans-66.7-40.3167-55.1-179.2000111.5S216 E217 L222 A223 Y224 L239 A242 D251 A252S216-L220 PolarHBondContact O-N 2.93Å; E217-L220 WeakPolarHBondContact O-CB 3.42Å; E217-L220 PolarHBondContact O-N 3.45Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.19Å; L220-A223 WeakPolarHBondContact O-CA 3.44Å; L220-A223 WeakPolarHBondContact O-CB 3.23Å; L220-A223 PolarHBondContact O-N 3.47Å; L220-Y224 HydrophobicContact CB-CE2 3.92Å; L220-Y224 VanDerWaalsContact O-CD2 3.25Å; L220-Y224 WeakPolarHBondContact O-CD2 3.39Å; L220-Y224 PolarHBondContact O-N 3.4Å; L220-L239 HydrophobicContact CD2-CD2 3.73Å; L220-A242 HydrophobicContact CD2-CB 3.68Å; L220-A242 HydrophobicContact CG-CB 4.33Å; L220-D251 HydrophobicContact CD1-CB 3.47Å; L220-D251 VanDerWaalsContact CD1-CB 3.47Å; L220-A252 HydrophobicContact CD2-CB 3.8Å
221G88.7Confident88.6Confident6 Ų647.8 Ų47.86%0.06226%0.261CS..Hα-helixtrans-54.2-42.4172.300000112.9E217 V218 C225E217-G221 PolarHBondContact O-N 3.3Å; V218-G221 PolarHBondContact O-N 2.88Å; G221-C225 PolarHBondContact O-N 2.94Å; G221-C225 PolarHBondContact O-SG 3.05Å
222L91.5Very high88.7Confident18 Ų1850.8 Ų50.89%0.09427%0.272CS..Hα-helixtrans-63.7-44.9170.6-74.5-176.7000112.9L201 Y204 R205 L208 R219 L220 Y224 C225 F226L201-L222 HydrophobicContact CD1-CD2 3.59Å; L201-L222 HydrophobicContact CG-CD2 4.29Å; Y204-L222 VanDerWaalsContact CB-CD2 3.46Å; Y204-L222 HydrophobicContact CG-CD2 4.42Å; R205-L222 HydrophobicContact CG-CD2 4.2Å; L208-L222 HydrophobicContact CD1-CD1 3.37Å; L208-L222 HydrophobicContact CD1-CG 4.24Å; R219-L222 WeakPolarHBondContact O-CB 3.4Å; R219-L222 PolarHBondContact O-N 3.45Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.19Å; L222-Y224 PolarHBondContact O-N 2.81Å; L222-C225 PolarHBondContact O-N 2.96Å; L222-F226 HydrophobicContact CB-CD2 4.37Å; L222-F226 HydrophobicContact CB-CE2 4.17Å; L222-F226 WeakPolarHBondContact O-CD2 3.18Å; L222-F226 WeakPolarHBondContact O-CG 3.09Å; L222-F226 PolarHBondContact O-N 3.35Å
223A91.8Very high88.9Confident0 Ų054.3 Ų54.30%028%0.282CS..Hα-helixtrans-59.8-45.3-179.800000112R219 L220 C225 F226 F227 T235 A238 L239R219-A223 PolarHBondContact O-N 2.95Å; R219-A223 VanDerWaalsContact O-N 3.07Å; L220-A223 WeakPolarHBondContact O-CA 3.44Å; L220-A223 WeakPolarHBondContact O-CB 3.23Å; L220-A223 PolarHBondContact O-N 3.47Å; A223-C225 VanDerWaalsContact C-N 3.35Å; A223-C225 PolarHBondContact O-N 3.15Å; A223-F226 PolarHBondContact O-N 3.46Å; A223-F227 WeakPolarHBondContact O-CB 3.39Å; A223-F227 PolarHBondContact O-N 2.86Å; A223-T235 HydrophobicContact CB-CG2 4.45Å; A223-A238 HydrophobicContact CB-CB 3.87Å; A223-L239 HydrophobicContact CB-CD1 4.48Å; A223-L239 HydrophobicContact CB-CD2 3.46Å; A223-L239 VanDerWaalsContact CB-CD2 3.46Å; A223-L239 HydrophobicContact CB-CG 3.59Å
224Y91.2Very high89.2Confident87 Ų8751.2 Ų51.234%0.34126%0.261SS..Hα-helixtrans-64.7-38176.9-55.2-38.3000112.1L220 L222 F227 K228L220-Y224 HydrophobicContact CB-CE2 3.92Å; L220-Y224 VanDerWaalsContact O-CD2 3.25Å; L220-Y224 WeakPolarHBondContact O-CD2 3.39Å; L220-Y224 PolarHBondContact O-N 3.4Å; L222-Y224 PolarHBondContact O-N 2.81Å; Y224-F227 PolarHBondContact O-N 3.49Å; Y224-K228 WeakPolarHBondContact O-CG 3.36Å; Y224-K228 PolarHBondContact O-N 3.04Å
225C92.8Very high89.8Confident0 Ų050.9 Ų50.90%026%0.258CS..Hα-helixtrans-63.4-44.6171.8-65.30000112L201 G221 L222 A223 F227 K228 L229L201-C225 HydrophobicContact CB-CB 4.15Å; L201-C225 HydrophobicContact CD1-CB 3.66Å; G221-C225 PolarHBondContact O-N 2.94Å; G221-C225 PolarHBondContact O-SG 3.05Å; L222-C225 PolarHBondContact O-N 2.96Å; A223-C225 VanDerWaalsContact C-N 3.35Å; A223-C225 PolarHBondContact O-N 3.15Å; C225-F227 VanDerWaalsContact C-N 3.35Å; C225-F227 PolarHBondContact O-N 3.16Å; C225-K228 PolarHBondContact O-N 2.88Å; C225-L229 WeakPolarHBondContact O-CB 3.37Å; C225-L229 WeakPolarHBondContact O-CD1 3.47Å; C225-L229 VanDerWaalsContact O-CG 3.24Å; C225-L229 WeakPolarHBondContact O-CG 3.43Å; C225-L229 PolarHBondContact O-N 2.87Å
226F93.6Very high90.1Very high19 Ų1947.1 Ų47.18%0.08324%0.235CC..Hα-helixtrans-63.2-39.7176.3-73.1-52.3000112.2L201 L222 A223 L229 G230 Q231 K234 T235 A238L201-F226 HydrophobicContact CD1-CD1 3.99Å; L201-F226 HydrophobicContact CD1-CD2 4.45Å; L201-F226 HydrophobicContact CD1-CE1 3.77Å; L201-F226 HydrophobicContact CD1-CE2 4.26Å; L201-F226 HydrophobicContact CD1-CG 4.32Å; L201-F226 HydrophobicContact CD1-CZ 3.92Å; L201-F226 HydrophobicContact CD2-CD1 4.48Å; L201-F226 HydrophobicContact CD2-CE1 4.02Å; L222-F226 HydrophobicContact CB-CD2 4.37Å; L222-F226 HydrophobicContact CB-CE2 4.17Å; L222-F226 WeakPolarHBondContact O-CD2 3.18Å; L222-F226 WeakPolarHBondContact O-CG 3.09Å; L222-F226 PolarHBondContact O-N 3.35Å; A223-F226 PolarHBondContact O-N 3.46Å; F226-L229 CarbonylContact O-C 3.6Å; F226-L229 PolarHBondContact O-N 3.29Å; F226-G230 PolarHBondContact O-N 3.01Å; F226-Q231 HydrophobicContact CB-CB 4.26Å; F226-Q231 HydrophobicContact CD1-CB 4.1Å; F226-Q231 PolarHBondContact O-N 3.4Å; F226-K234 HydrophobicContact CB-CB 4.37Å; F226-K234 HydrophobicContact CD1-CB 3.89Å; F226-K234 HydrophobicContact CD1-CD 4.17Å; F226-K234 HydrophobicContact CD2-CB 3.9Å; F226-K234 HydrophobicContact CE1-CB 4.06Å; F226-K234 HydrophobicContact CE1-CD 3.84Å; F226-K234 HydrophobicContact CE2-CB 4.07Å; F226-K234 HydrophobicContact CG-CB 3.82Å; F226-K234 HydrophobicContact CZ-CB 4.15Å; F226-K234 HydrophobicContact CZ-CD 4.31Å; F226-T235 WeakPolarHBondContact CB-OG1 3.37Å; F226-A238 HydrophobicContact CD2-CB 4.23Å; F226-A238 HydrophobicContact CE2-CB 4.45Å
227F90.9Very high90.4Very high87 Ų8752.1 Ų52.138%0.38226%0.261SS..Hα-helixtrans-63.6-47.9177.8-173.6-104.9000111.5A223 Y224 C225 L229 G230 L232 T235A223-F227 WeakPolarHBondContact O-CB 3.39Å; A223-F227 PolarHBondContact O-N 2.86Å; Y224-F227 PolarHBondContact O-N 3.49Å; C225-F227 VanDerWaalsContact C-N 3.35Å; C225-F227 PolarHBondContact O-N 3.16Å; F227-L229 PolarHBondContact O-N 3.41Å; F227-G230 PolarHBondContact O-N 3.32Å; F227-L232 HydrophobicContact CD2-CD2 4.08Å; F227-L232 HydrophobicContact CE2-CD2 4.14Å; F227-T235 WeakPolarHBondContact CA-OG1 3.05Å; F227-T235 HydrophobicContact CB-CG2 3.9Å; F227-T235 HydrophobicContact CD2-CG2 4.19Å; F227-T235 HydrophobicContact CG-CG2 4.5Å; F227-T235 PolarHBondContact N-OG1 3.46Å; F227-T235 VanDerWaalsContact N-OG1 3.15Å
228K89.4Confident90.6Very high111 Ų11149.1 Ų49.148%0.48325%0.249SC..Hα-helixtrans-65.9-23.1176-70.1-67.7-176178.10113.7Y192 Y197 Y224 C225Y192-K228 HydrophobicContact CE2-CG 4.06Å; Y197-K228 HydrophobicContact CD1-CB 3.89Å; Y197-K228 HydrophobicContact CD1-CG 4.23Å; Y197-K228 HydrophobicContact CD2-CB 3.72Å; Y197-K228 HydrophobicContact CE1-CB 3.94Å; Y197-K228 HydrophobicContact CE1-CD 4.43Å; Y197-K228 HydrophobicContact CE1-CG 3.87Å; Y197-K228 HydrophobicContact CE2-CB 3.75Å; Y197-K228 HydrophobicContact CE2-CD 4.41Å; Y197-K228 HydrophobicContact CE2-CG 4.28Å; Y197-K228 HydrophobicContact CG-CB 3.79Å; Y224-K228 WeakPolarHBondContact O-CG 3.36Å; Y224-K228 PolarHBondContact O-N 3.04Å; C225-K228 PolarHBondContact O-N 2.88Å
229L91.6Very high90.8Very high54 Ų5448.8 Ų48.828%0.28325%0.247SC..THydrogen-bonded Turntrans-90.38.8171.8-67.7169.9000113.6I198 L201 C225 F226 F227 Q231I198-L229 HydrophobicContact CG1-CD1 4.48Å; I198-L229 HydrophobicContact CG1-CD2 3.93Å; L201-L229 HydrophobicContact CD2-CD1 4.17Å; C225-L229 WeakPolarHBondContact O-CB 3.37Å; C225-L229 WeakPolarHBondContact O-CD1 3.47Å; C225-L229 VanDerWaalsContact O-CG 3.24Å; C225-L229 WeakPolarHBondContact O-CG 3.43Å; C225-L229 PolarHBondContact O-N 2.87Å; F226-L229 CarbonylContact O-C 3.6Å; F226-L229 PolarHBondContact O-N 3.29Å; F227-L229 PolarHBondContact O-N 3.41Å; L229-Q231 HydrophobicContact CB-CG 4.39Å; L229-Q231 PolarHBondContact O-N 3.2Å
230G89.4Confident90.9Very high55 Ų5551.3 Ų51.357%0.56726%0.26SS*.THydrogen-bonded Turntrans707.4179.600000115.4F226 F227 L232F226-G230 PolarHBondContact O-N 3.01Å; F227-G230 PolarHBondContact O-N 3.32Å; G230-L232 PolarHBondContact O-N 3.37Å
231Q91.6Very high90.9Very high65 Ų6557 Ų5730%0.30428%0.281SS..  trans-8665.4-175.1-61.2-176.236.600110.6F226 L229 E233 K234 T235F226-Q231 HydrophobicContact CB-CB 4.26Å; F226-Q231 HydrophobicContact CD1-CB 4.1Å; F226-Q231 PolarHBondContact O-N 3.4Å; L229-Q231 HydrophobicContact CB-CG 4.39Å; L229-Q231 PolarHBondContact O-N 3.2Å; Q231-E233 PolarHBondContact O-N 2.97Å; Q231-K234 HydrophobicContact CB-CB 4.42Å; Q231-K234 HydrophobicContact CB-CD 4.32Å; Q231-K234 PolarHBondContact O-N 3.43Å; Q231-K234 VanDerWaalsContact O-N 3.16Å; Q231-T235 PolarHBondContact O-N 3.33Å; Q231-T235 PolarHBondContact O-OG1 3.14Å
232L87.5Confident91Very high93 Ų9356.8 Ų56.849%0.48728%0.278SS..Hα-helixtrans-53.6-45.3-171.9-66.4-180000113.5F227 G230 K234 T235 G236 F259F227-L232 HydrophobicContact CD2-CD2 4.08Å; F227-L232 HydrophobicContact CE2-CD2 4.14Å; G230-L232 PolarHBondContact O-N 3.37Å; L232-K234 PolarHBondContact O-N 3.17Å; L232-T235 VanDerWaalsContact O-CB 3.25Å; L232-T235 WeakPolarHBondContact O-CB 3.47Å; L232-T235 PolarHBondContact O-N 2.98Å; L232-G236 PolarHBondContact O-N 3.42Å; L232-F259 HydrophobicContact CB-CE2 3.93Å; L232-F259 HydrophobicContact CB-CZ 4.49Å; L232-F259 HydrophobicContact CD2-CE2 4.17Å; L232-F259 WeakPolarHBondContact O-CE2 3.27Å; L232-F259 WeakPolarHBondContact O-CZ 3.44Å
233E88.6Confident90.9Very high158 Ų15857.9 Ų57.974%0.73828%0.284SS*.Hα-helixtrans-58.8-45.7178.9-59.3-180149.800112.4Q231 T235 G236 L237Q231-E233 PolarHBondContact O-N 2.97Å; E233-T235 VanDerWaalsContact C-N 3.3Å; E233-T235 PolarHBondContact O-N 3.19Å; E233-G236 PolarHBondContact O-N 2.89Å; E233-L237 WeakPolarHBondContact O-CG 3.49Å; E233-L237 PolarHBondContact O-N 3.47Å
234K91Very high90.9Very high95 Ų9564 Ų6441%0.41331%0.313SS..Hα-helixtrans-71.7-27.7179.9-58.6176.9-160.6163.90111.8F226 Q231 L232 A238F226-K234 HydrophobicContact CB-CB 4.37Å; F226-K234 HydrophobicContact CD1-CB 3.89Å; F226-K234 HydrophobicContact CD1-CD 4.17Å; F226-K234 HydrophobicContact CD2-CB 3.9Å; F226-K234 HydrophobicContact CE1-CB 4.06Å; F226-K234 HydrophobicContact CE1-CD 3.84Å; F226-K234 HydrophobicContact CE2-CB 4.07Å; F226-K234 HydrophobicContact CG-CB 3.82Å; F226-K234 HydrophobicContact CZ-CB 4.15Å; F226-K234 HydrophobicContact CZ-CD 4.31Å; Q231-K234 HydrophobicContact CB-CB 4.42Å; Q231-K234 HydrophobicContact CB-CD 4.32Å; Q231-K234 PolarHBondContact O-N 3.43Å; Q231-K234 VanDerWaalsContact O-N 3.16Å; L232-K234 PolarHBondContact O-N 3.17Å; K234-A238 WeakPolarHBondContact O-CB 3.26Å; K234-A238 PolarHBondContact O-N 3.42Å
235T91.6Very high90.8Very high4 Ų463.5 Ų63.53%0.02532%0.316CS..Hα-helixtrans-61.2-53.3170.1-52.10000110A223 F226 F227 Q231 L232 E233 L237 A238 L239 F259A223-T235 HydrophobicContact CB-CG2 4.45Å; F226-T235 WeakPolarHBondContact CB-OG1 3.37Å; F227-T235 WeakPolarHBondContact CA-OG1 3.05Å; F227-T235 HydrophobicContact CB-CG2 3.9Å; F227-T235 HydrophobicContact CD2-CG2 4.19Å; F227-T235 HydrophobicContact CG-CG2 4.5Å; F227-T235 PolarHBondContact N-OG1 3.46Å; F227-T235 VanDerWaalsContact N-OG1 3.15Å; Q231-T235 PolarHBondContact O-N 3.33Å; Q231-T235 PolarHBondContact O-OG1 3.14Å; L232-T235 VanDerWaalsContact O-CB 3.25Å; L232-T235 WeakPolarHBondContact O-CB 3.47Å; L232-T235 PolarHBondContact O-N 2.98Å; E233-T235 VanDerWaalsContact C-N 3.3Å; E233-T235 PolarHBondContact O-N 3.19Å; T235-L237 PolarHBondContact O-N 3.49Å; T235-A238 PolarHBondContact O-N 2.65Å; T235-L239 HydrophobicContact CG2-CD1 3.94Å; T235-L239 WeakPolarHBondContact O-CG 3.3Å; T235-L239 PolarHBondContact O-N 3.29Å; T235-F259 HydrophobicContact CG2-CD2 4.39Å
236G89.1Confident90.5Very high5 Ų567.6 Ų67.65%0.05233%0.334CS..Hα-helixtrans-56.8-48.3177.500000112.7L232 E233 A238 L239 Q240L232-G236 PolarHBondContact O-N 3.42Å; E233-G236 PolarHBondContact O-N 2.89Å; G236-A238 PolarHBondContact O-N 3.41Å; G236-L239 PolarHBondContact O-N 3.19Å; G236-Q240 WeakPolarHBondContact O-CB 3.01Å; G236-Q240 VanDerWaalsContact O-CG 3.27Å; G236-Q240 WeakPolarHBondContact O-CG 3.44Å; G236-Q240 PolarHBondContact O-N 2.99Å
237L91.6Very high90.2Very high111 Ų11170.4 Ų70.458%0.58135%0.354SS*.Hα-helixtrans-62.4-40.5177.6-68.6172.1000113.1E233 T235 R241E233-L237 WeakPolarHBondContact O-CG 3.49Å; E233-L237 PolarHBondContact O-N 3.47Å; T235-L237 PolarHBondContact O-N 3.49Å; L237-R241 WeakPolarHBondContact O-CB 3.49Å; L237-R241 PolarHBondContact O-N 3.02Å
238A91.2Very high90.1Very high14 Ų1471 Ų7112%0.11636%0.361CS..Hα-helixtrans-66.3-42.2179.300000112.1A223 F226 K234 T235 G236 R241 A242A223-A238 HydrophobicContact CB-CB 3.87Å; F226-A238 HydrophobicContact CD2-CB 4.23Å; F226-A238 HydrophobicContact CE2-CB 4.45Å; K234-A238 WeakPolarHBondContact O-CB 3.26Å; K234-A238 PolarHBondContact O-N 3.42Å; T235-A238 PolarHBondContact O-N 2.65Å; G236-A238 PolarHBondContact O-N 3.41Å; A238-R241 PolarHBondContact O-N 3.26Å; A238-A242 PolarHBondContact O-N 2.89Å
239L92.4Very high90.1Very high3 Ų365.9 Ų65.92%0.01634%0.339CS..Hα-helixtrans-70.3-42.9176.8-60.3162.3000111.9L220 A223 T235 G236 R241 A242 L243 L256L220-L239 HydrophobicContact CD2-CD2 3.73Å; A223-L239 HydrophobicContact CB-CD1 4.48Å; A223-L239 HydrophobicContact CB-CD2 3.46Å; A223-L239 VanDerWaalsContact CB-CD2 3.46Å; A223-L239 HydrophobicContact CB-CG 3.59Å; T235-L239 HydrophobicContact CG2-CD1 3.94Å; T235-L239 WeakPolarHBondContact O-CG 3.3Å; T235-L239 PolarHBondContact O-N 3.29Å; G236-L239 PolarHBondContact O-N 3.19Å; L239-R241 PolarHBondContact O-N 3.15Å; L239-A242 WeakPolarHBondContact O-CB 3.47Å; L239-A242 PolarHBondContact O-N 3.13Å; L239-A242 VanDerWaalsContact O-N 3.08Å; L239-L243 PolarHBondContact O-N 3.49Å; L239-L256 HydrophobicContact CB-CD1 4.14Å; L239-L256 HydrophobicContact CB-CD2 3.81Å; L239-L256 HydrophobicContact CB-CG 3.58Å; L239-L256 HydrophobicContact CD1-CD2 4.17Å; L239-L256 HydrophobicContact CD1-CG 4.15Å; L239-L256 HydrophobicContact CG-CG 4.48Å
240Q92Very high90.1Very high88 Ų8864.4 Ų64.441%0.41133%0.332SS..Hα-helixtrans-56.2-41.4172.5-77.6175.2-800111G236 L243 Q244 L256G236-Q240 WeakPolarHBondContact O-CB 3.01Å; G236-Q240 VanDerWaalsContact O-CG 3.27Å; G236-Q240 WeakPolarHBondContact O-CG 3.44Å; G236-Q240 PolarHBondContact O-N 2.99Å; Q240-L243 PolarHBondContact O-N 3.04Å; Q240-Q244 WeakPolarHBondContact O-CB 3.42Å; Q240-Q244 VanDerWaalsContact O-CG 3.31Å; Q240-Q244 WeakPolarHBondContact O-CG 3.4Å; Q240-Q244 PolarHBondContact O-N 2.88Å; Q240-L256 HydrophobicContact CG-CD1 4.33Å; Q240-L256 HydrophobicContact CG-CD2 4.07Å
241R90.5Very high90.1Very high125 Ų12565 Ų6547%0.47232%0.322SS..Hα-helixtrans-73-26.1177.3-169.455.7-178.4162.66.5113.5L237 A238 L239 L245L237-R241 WeakPolarHBondContact O-CB 3.49Å; L237-R241 PolarHBondContact O-N 3.02Å; A238-R241 PolarHBondContact O-N 3.26Å; L239-R241 PolarHBondContact O-N 3.15Å; R241-L245 WeakPolarHBondContact O-CD1 3.35Å; R241-L245 WeakPolarHBondContact O-CG 3.3Å
242A91.3Very high90.1Very high0 Ų061.9 Ų61.90%031%0.308CS..Hα-helixtrans-67.6-47.7169.700000110.9S216 R219 L220 A238 L239 Q244 L245 K246 A252S216-A242 WeakPolarHBondContact CB-O 3.45Å; R219-A242 HydrophobicContact CB-CB 4.23Å; L220-A242 HydrophobicContact CD2-CB 3.68Å; L220-A242 HydrophobicContact CG-CB 4.33Å; A238-A242 PolarHBondContact O-N 2.89Å; L239-A242 WeakPolarHBondContact O-CB 3.47Å; L239-A242 PolarHBondContact O-N 3.13Å; L239-A242 VanDerWaalsContact O-N 3.08Å; A242-Q244 PolarHBondContact O-N 3.34Å; A242-L245 PolarHBondContact O-N 3.47Å; A242-L245 VanDerWaalsContact O-N 3.08Å; A242-K246 PolarHBondContact O-N 3.45Å; A242-A252 HydrophobicContact CB-CB 4.11Å
243L90.5Very high90.3Very high42 Ų4257.9 Ų57.922%0.2229%0.287CS..Hα-helixtrans-63.5-38.6178-166.6157.9000112.1L239 Q240 L245 K246 P247 A252 L253 L256L239-L243 PolarHBondContact O-N 3.49Å; Q240-L243 PolarHBondContact O-N 3.04Å; L243-L245 PolarHBondContact O-N 3.18Å; L243-K246 CarbonylContact O-C 3.58Å; L243-K246 PolarHBondContact O-N 3.25Å; L243-P247 WeakPolarHBondContact O-CA 3.35Å; L243-P247 VanDerWaalsContact O-N 3.13Å; L243-A252 HydrophobicContact CB-CB 4.24Å; L243-L253 HydrophobicContact CD1-CD2 3.63Å; L243-L253 HydrophobicContact CD1-CG 3.93Å; L243-L256 HydrophobicContact CB-CD1 4.49Å; L243-L256 HydrophobicContact CD1-CD1 3.81Å
244Q90.6Very high90.5Very high127 Ų12750.5 Ų50.559%0.59325%0.252SS*.THydrogen-bonded Turntrans-61.1-20.5172.8-79177.10.100114.8Q240 A242Q240-Q244 WeakPolarHBondContact O-CB 3.42Å; Q240-Q244 VanDerWaalsContact O-CG 3.31Å; Q240-Q244 WeakPolarHBondContact O-CG 3.4Å; Q240-Q244 PolarHBondContact O-N 2.88Å; A242-Q244 PolarHBondContact O-N 3.34Å
245L89Confident90.4Very high77 Ų7747 Ų4740%0.40324%0.242SC..THydrogen-bonded Turntrans-94.8-25.4178.3-68.5165.5000112.5R219 R241 A242 L243R219-L245 VanDerWaalsContact CZ-CD1 3.44Å; R219-L245 VanDerWaalsContact NH1-CD1 3.28Å; R241-L245 WeakPolarHBondContact O-CD1 3.35Å; R241-L245 WeakPolarHBondContact O-CG 3.3Å; A242-L245 PolarHBondContact O-N 3.47Å; A242-L245 VanDerWaalsContact O-N 3.08Å; L243-L245 PolarHBondContact O-N 3.18Å
246K87.6Confident90.3Very high87 Ų8747 Ų4738%0.37824%0.242SC..  trans-154.299177.4-179.4176.5168.7-174.10107.4E217 A242 L243 D248 N249E217-K246 IonicContact OE1-NZ 2.88Å; E217-K246 PolarHBondContact OE1-NZ 3.05Å; A242-K246 PolarHBondContact O-N 3.45Å; L243-K246 CarbonylContact O-C 3.58Å; L243-K246 PolarHBondContact O-N 3.25Å; K246-D248 PolarHBondContact O-N 2.9Å; K246-N249 HydrophobicContact CB-CB 4.3Å; K246-N249 HydrophobicContact CD-CB 4.32Å; K246-N249 HydrophobicContact CG-CB 4.19Å; K246-N249 VanDerWaalsContact O-CB 3.3Å; K246-N249 WeakPolarHBondContact O-CB 3.04Å; K246-N249 PolarHBondContact O-N 3.15Å
247P87.6Confident90.3Very high78 Ų7846.7 Ų46.751%0.50624%0.24SC..THydrogen-bonded Turntrans-62.8-32.3-175.925-33.2000111.5L243 N249L243-P247 WeakPolarHBondContact O-CA 3.35Å; L243-P247 VanDerWaalsContact O-N 3.13Å; P247-N249 PolarHBondContact O-N 2.95Å; P247-N249 VanDerWaalsContact O-N 3.14Å
248D88.3Confident90.1Very high98 Ų9843.5 Ų43.552%0.52423%0.225SC..THydrogen-bonded Turntrans-79.513.3-179.2-36.1-54.5000113.1K246 V250 L282K246-D248 PolarHBondContact O-N 2.9Å; D248-V250 PolarHBondContact O-N 3.32Å; D248-V250 VanDerWaalsContact O-N 3.09Å; D248-L282 HydrophobicContact CB-CD1 4.27Å; D248-L282 HydrophobicContact CB-CD2 4.19Å
249N89.5Confident89.9Confident5 Ų543.7 Ų43.73%0.02722%0.223CC..  trans-76.697.5175-172.3-39.4000110S216 K246 P247 D251 A252 L253S216-N249 PolarHBondContact OG-ND2 3.38Å; K246-N249 HydrophobicContact CB-CB 4.3Å; K246-N249 HydrophobicContact CD-CB 4.32Å; K246-N249 HydrophobicContact CG-CB 4.19Å; K246-N249 VanDerWaalsContact O-CB 3.3Å; K246-N249 WeakPolarHBondContact O-CB 3.04Å; K246-N249 PolarHBondContact O-N 3.15Å; P247-N249 PolarHBondContact O-N 2.95Å; P247-N249 VanDerWaalsContact O-N 3.14Å; N249-D251 VanDerWaalsContact C-N 3.35Å; N249-D251 PolarHBondContact O-N 3.22Å; N249-D251 PolarHBondContact OD1-N 3.29Å; N249-D251 VanDerWaalsContact OD1-N 3.15Å; N249-A252 HydrophobicContact CB-CB 3.84Å; N249-A252 WeakPolarHBondContact O-CB 3.32Å; N249-A252 PolarHBondContact O-N 2.91Å; N249-A252 VanDerWaalsContact O-N 3.11Å; N249-A252 PolarHBondContact OD1-N 3.34Å; N249-L253 PolarHBondContact O-N 3.43Å
250V90.7Very high89.7Confident22 Ų2244.2 Ų44.213%0.13323%0.225CC..Hα-helixtrans-54.2-46.2178.9-177.10000112.1D248 A252 L253 V254 A279 L282 D283 H286D248-V250 PolarHBondContact O-N 3.32Å; D248-V250 VanDerWaalsContact O-N 3.09Å; V250-A252 VanDerWaalsContact C-N 3.29Å; V250-A252 PolarHBondContact O-N 3.26Å; V250-L253 WeakPolarHBondContact O-CB 3.48Å; V250-L253 PolarHBondContact O-N 2.89Å; V250-V254 HydrophobicContact CG1-CG2 4.2Å; V250-V254 WeakPolarHBondContact O-CB 3.38Å; V250-V254 VanDerWaalsContact O-CG2 3.29Å; V250-V254 WeakPolarHBondContact O-CG2 3.15Å; V250-V254 PolarHBondContact O-N 3.34Å; V250-A279 HydrophobicContact CG1-CB 4.09Å; V250-L282 HydrophobicContact CG2-CB 3.71Å; V250-L282 HydrophobicContact CG2-CD1 4.36Å; V250-D283 HydrophobicContact CG1-CB 4.39Å; V250-D283 HydrophobicContact CG2-CB 4.13Å; V250-H286 HydrophobicContact CG1-CB 3.76Å
251D89.6Confident89.4Confident68 Ų6842.1 Ų42.136%0.36422%0.217SC..Hα-helixtrans-64.4-32.8179.3-65.1-44.4000112.4L220 N249 G255 H286L220-D251 HydrophobicContact CD1-CB 3.47Å; L220-D251 VanDerWaalsContact CD1-CB 3.47Å; N249-D251 VanDerWaalsContact C-N 3.35Å; N249-D251 PolarHBondContact O-N 3.22Å; N249-D251 PolarHBondContact OD1-N 3.29Å; N249-D251 VanDerWaalsContact OD1-N 3.15Å; D251-G255 PolarHBondContact O-N 3.28Å; D251-H286 IonicContact OD1-CE1 2.69Å; D251-H286 PolarHBondContact OD1-CE1 3.23Å; D251-H286 IonicContact OD1-ND1 2.71Å
252A92.2Very high89.1Confident0 Ų041.5 Ų41.50%022%0.223CC..Hα-helixtrans-69.3-45.4173.300000111.8L220 A242 L243 N249 V250 L256L220-A252 HydrophobicContact CD2-CB 3.8Å; A242-A252 HydrophobicContact CB-CB 4.11Å; L243-A252 HydrophobicContact CB-CB 4.24Å; N249-A252 HydrophobicContact CB-CB 3.84Å; N249-A252 WeakPolarHBondContact O-CB 3.32Å; N249-A252 PolarHBondContact O-N 2.91Å; N249-A252 VanDerWaalsContact O-N 3.11Å; N249-A252 PolarHBondContact OD1-N 3.34Å; V250-A252 VanDerWaalsContact C-N 3.29Å; V250-A252 PolarHBondContact O-N 3.26Å; A252-L256 WeakPolarHBondContact O-CB 3.23Å; A252-L256 WeakPolarHBondContact O-CG 3.49Å; A252-L256 PolarHBondContact O-N 3.48Å
253L91.6Very high88.7Confident9 Ų947.2 Ų47.25%0.04724%0.244CC..Hα-helixtrans-60.7-47.8176.9-80.8161.9000111.7L243 N249 V250 L256 A257 R275 I278 A279 L282L243-L253 HydrophobicContact CD1-CD2 3.63Å; L243-L253 HydrophobicContact CD1-CG 3.93Å; N249-L253 PolarHBondContact O-N 3.43Å; V250-L253 WeakPolarHBondContact O-CB 3.48Å; V250-L253 PolarHBondContact O-N 2.89Å; L253-L256 PolarHBondContact O-N 2.86Å; L253-A257 WeakPolarHBondContact O-CB 3.19Å; L253-A257 PolarHBondContact O-N 3.32Å; L253-R275 HydrophobicContact CD2-CB 4.13Å; L253-R275 HydrophobicContact CD2-CG 4.07Å; L253-I278 HydrophobicContact CD1-CG2 3.98Å; L253-I278 HydrophobicContact CD2-CG2 4.5Å; L253-A279 HydrophobicContact CB-CB 4.16Å; L253-L282 HydrophobicContact CD1-CD1 3.57Å
254V91.7Very high88.1Confident3 Ų347.9 Ų47.92%0.01826%0.261CS..Hα-helixtrans-72.2-41.4-178.4177.70000111.2V250 L256 A257 V258 L276 A279 I288 A289V250-V254 HydrophobicContact CG1-CG2 4.2Å; V250-V254 WeakPolarHBondContact O-CB 3.38Å; V250-V254 VanDerWaalsContact O-CG2 3.29Å; V250-V254 WeakPolarHBondContact O-CG2 3.15Å; V250-V254 PolarHBondContact O-N 3.34Å; V254-L256 VanDerWaalsContact C-N 3.27Å; V254-L256 PolarHBondContact O-N 2.73Å; V254-A257 PolarHBondContact O-N 3.08Å; V254-A257 VanDerWaalsContact O-N 3.17Å; V254-V258 HydrophobicContact CG1-CG2 4.42Å; V254-V258 WeakPolarHBondContact O-CG2 3.41Å; V254-V258 PolarHBondContact O-N 2.71Å; V254-L276 HydrophobicContact CG1-CD2 4.27Å; V254-L276 HydrophobicContact CG2-CD2 4.35Å; V254-A279 HydrophobicContact CG2-CB 3.46Å; V254-A279 VanDerWaalsContact CG2-CB 3.46Å; V254-I288 HydrophobicContact CG1-CB 3.86Å; V254-I288 HydrophobicContact CG1-CG2 3.61Å; V254-A289 HydrophobicContact CG2-CB 3.87Å
255G88.9Confident87.7Confident20 Ų2048.9 Ų48.921%0.20626%0.259CS..Hα-helixtrans-57.5-40.4172.200000112.4D251 F259D251-G255 PolarHBondContact O-N 3.28Å; G255-F259 VanDerWaalsContact O-CB 3.29Å; G255-F259 WeakPolarHBondContact O-CB 3.18Å; G255-F259 PolarHBondContact O-N 2.82Å; G255-F259 VanDerWaalsContact O-N 3.15Å
256L90.3Very high87.2Confident4 Ų449.4 Ų49.42%0.02127%0.269CS..Hα-helixtrans-69.6-40.8173.8-85.4168.3000113.1L239 Q240 L243 A252 L253 V254 F259 E260L239-L256 HydrophobicContact CB-CD1 4.14Å; L239-L256 HydrophobicContact CB-CD2 3.81Å; L239-L256 HydrophobicContact CB-CG 3.58Å; L239-L256 HydrophobicContact CD1-CD2 4.17Å; L239-L256 HydrophobicContact CD1-CG 4.15Å; L239-L256 HydrophobicContact CG-CG 4.48Å; Q240-L256 HydrophobicContact CG-CD1 4.33Å; Q240-L256 HydrophobicContact CG-CD2 4.07Å; L243-L256 HydrophobicContact CB-CD1 4.49Å; L243-L256 HydrophobicContact CD1-CD1 3.81Å; A252-L256 WeakPolarHBondContact O-CB 3.23Å; A252-L256 WeakPolarHBondContact O-CG 3.49Å; A252-L256 PolarHBondContact O-N 3.48Å; L253-L256 PolarHBondContact O-N 2.86Å; V254-L256 VanDerWaalsContact C-N 3.27Å; V254-L256 PolarHBondContact O-N 2.73Å; L256-F259 WeakPolarHBondContact O-CB 3.46Å; L256-F259 PolarHBondContact O-N 3.36Å; L256-E260 PolarHBondContact O-N 3.43Å
257A89Confident86.9Confident0 Ų049.9 Ų49.90%027%0.273CS..Hα-helixtrans-64.5-44.5-179.500000112L253 V254 F259 E260 L261 G272 R275 L276L253-A257 WeakPolarHBondContact O-CB 3.19Å; L253-A257 PolarHBondContact O-N 3.32Å; V254-A257 PolarHBondContact O-N 3.08Å; V254-A257 VanDerWaalsContact O-N 3.17Å; A257-F259 VanDerWaalsContact C-N 3.31Å; A257-F259 PolarHBondContact O-N 3.2Å; A257-E260 PolarHBondContact O-N 2.83Å; A257-L261 WeakPolarHBondContact O-CB 3.26Å; A257-L261 VanDerWaalsContact O-CG 3.27Å; A257-L261 WeakPolarHBondContact O-CG 3.34Å; A257-L261 PolarHBondContact O-N 2.68Å; A257-G272 WeakPolarHBondContact CB-O 3.14Å; A257-R275 HydrophobicContact CB-CB 4.05Å; A257-L276 HydrophobicContact CB-CD2 3.56Å; A257-L276 HydrophobicContact CB-CG 3.7Å
258V87.9Confident86.7Confident43 Ų4346.7 Ų46.726%0.26125%0.252SS..Hα-helixtrans-62.7-39.7173.7173.50000110.7V254 E260 N262 I288V254-V258 HydrophobicContact CG1-CG2 4.42Å; V254-V258 WeakPolarHBondContact O-CG2 3.41Å; V254-V258 PolarHBondContact O-N 2.71Å; V258-E260 VanDerWaalsContact C-N 3.34Å; V258-E260 PolarHBondContact O-N 2.8Å; V258-N262 WeakPolarHBondContact O-CB 3.48Å; V258-N262 PolarHBondContact O-N 3.02Å; V258-N262 PolarHBondContact O-ND2 3.2Å; V258-I288 HydrophobicContact CG2-CG2 4.12Å
259F87.7Confident86.4Confident18 Ų1844.7 Ų44.78%0.07924%0.241CC..Hα-helixtrans-63.4-35175177.8-100.5000113.5L232 T235 G255 L256 A257L232-F259 HydrophobicContact CB-CE2 3.93Å; L232-F259 HydrophobicContact CB-CZ 4.49Å; L232-F259 HydrophobicContact CD2-CE2 4.17Å; L232-F259 WeakPolarHBondContact O-CE2 3.27Å; L232-F259 WeakPolarHBondContact O-CZ 3.44Å; T235-F259 HydrophobicContact CG2-CD2 4.39Å; G255-F259 VanDerWaalsContact O-CB 3.29Å; G255-F259 WeakPolarHBondContact O-CB 3.18Å; G255-F259 PolarHBondContact O-N 2.82Å; G255-F259 VanDerWaalsContact O-N 3.15Å; L256-F259 WeakPolarHBondContact O-CB 3.46Å; L256-F259 PolarHBondContact O-N 3.36Å; A257-F259 VanDerWaalsContact C-N 3.31Å; A257-F259 PolarHBondContact O-N 3.2Å
260E86.4Confident86Confident14 Ų1450.3 Ų50.37%0.06526%0.261CS..Hα-helixtrans-79.3-40.5176.5-76.8170.1162.500112.7L256 A257 V258 N262 R263 D268 I271 R275L256-E260 PolarHBondContact O-N 3.43Å; A257-E260 PolarHBondContact O-N 2.83Å; V258-E260 VanDerWaalsContact C-N 3.34Å; V258-E260 PolarHBondContact O-N 2.8Å; E260-N262 VanDerWaalsContact C-N 3.29Å; E260-N262 PolarHBondContact O-N 3.09Å; E260-R263 WeakPolarHBondContact O-CB 3.38Å; E260-R263 PolarHBondContact O-N 3.49Å; E260-D268 HydrophobicContact CB-CB 4.21Å; E260-D268 WeakPolarHBondContact O-CB 3.49Å; E260-I271 WeakPolarHBondContact OE2-CG2 3.44Å; E260-R275 IonicContact OE1-CZ 2.63Å; E260-R275 IonicContact OE1-NH1 2.61Å; E260-R275 PolarHBondContact OE1-NH1 2.92Å; E260-R275 IonicContact OE1-NH2 3.97Å; E260-R275 PolarHBondContact OE1-NH2 3.25Å; E260-R275 IonicContact OE2-CZ 2.62Å; E260-R275 IonicContact OE2-NE 3.74Å; E260-R275 IonicContact OE2-NH1 3.87Å; E260-R275 PolarHBondContact OE2-NH1 3.44Å; E260-R275 IonicContact OE2-NH2 2.76Å; E260-R275 PolarHBondContact OE2-NH2 2.74Å
261L85.5Confident85.6Confident45 Ų4551.7 Ų51.724%0.23627%0.268CS..Hα-helixtrans-57.2-43.7172.5-73.2166.4000111.4A257 R263 G264 I269 V273 L276A257-L261 WeakPolarHBondContact O-CB 3.26Å; A257-L261 VanDerWaalsContact O-CG 3.27Å; A257-L261 WeakPolarHBondContact O-CG 3.34Å; A257-L261 PolarHBondContact O-N 2.68Å; L261-R263 PolarHBondContact O-N 2.75Å; L261-G264 PolarHBondContact O-N 2.72Å; L261-I269 HydrophobicContact CD2-CB 4.38Å; L261-I269 HydrophobicContact CD2-CG1 4.34Å; L261-I269 HydrophobicContact CD2-CG2 4.03Å; L261-V273 HydrophobicContact CD2-CG2 4.31Å; L261-L276 HydrophobicContact CD1-CD1 3.98Å
262N84.2Confident85.3Confident111 Ų11148.5 Ų48.559%0.59425%0.25SS*.THydrogen-bonded Turntrans-65.1-6.7177.1-72.1-17.7000114.6V258 E260V258-N262 WeakPolarHBondContact O-CB 3.48Å; V258-N262 PolarHBondContact O-N 3.02Å; V258-N262 PolarHBondContact O-ND2 3.2Å; E260-N262 VanDerWaalsContact C-N 3.29Å; E260-N262 PolarHBondContact O-N 3.09Å
263R84.3Confident84.9Confident121 Ų12149.4 Ų49.446%0.45726%0.256SS..THydrogen-bonded Turntrans-87.3-13.1171.7-68.5174.7167.3-164-10.4113.6E260 L261 R265 D268E260-R263 WeakPolarHBondContact O-CB 3.38Å; E260-R263 PolarHBondContact O-N 3.49Å; L261-R263 PolarHBondContact O-N 2.75Å; R263-R265 PolarHBondContact O-N 2.88Å; R263-D268 HydrophobicContact CB-CB 4.28Å; R263-D268 WeakPolarHBondContact CB-OD2 3.42Å; R263-D268 VanDerWaalsContact CD-OD2 3.24Å; R263-D268 WeakPolarHBondContact CD-OD2 3.29Å
264G76.8Confident84.5Confident55 Ų5553.9 Ų53.957%0.56728%0.276SS*.  trans66.9-7.1173.400000117.2L261 I269L261-G264 PolarHBondContact O-N 2.72Å; G264-I269 WeakPolarHBondContact O-CD1 3.49Å
265R82.3Confident84.2Confident148 Ų14856.2 Ų56.256%0.55829%0.285SS*.  trans-75.5139.1178.9-58.5-176.2-60.2169.912.3110.2R263 E267 D268 I269R263-R265 PolarHBondContact O-N 2.88Å; R265-E267 VanDerWaalsContact C-N 3.26Å; R265-E267 PolarHBondContact O-N 3.11Å; R265-E267 VanDerWaalsContact O-N 3.17Å; R265-D268 HydrophobicContact CB-CB 4.35Å; R265-D268 IonicContact CZ-OD1 2.67Å; R265-D268 IonicContact CZ-OD2 2.71Å; R265-D268 IonicContact NE-OD1 3.38Å; R265-D268 IonicContact NE-OD2 3.18Å; R265-D268 PolarHBondContact NE-OD2 2.86Å; R265-D268 IonicContact NH2-OD1 3.5Å; R265-D268 PolarHBondContact NH2-OD1 2.94Å; R265-D268 IonicContact NH2-OD2 2.65Å; R265-D268 PolarHBondContact NH2-OD2 3.09Å; R265-D268 PolarHBondContact O-N 2.75Å; R265-I269 WeakPolarHBondContact O-CG1 3.3Å; R265-I269 PolarHBondContact O-N 3.03Å
266S78.7Confident84Confident88 Ų8855.2 Ų55.262%0.61528%0.275SS*.Hα-helixtrans-54.5-38.9-175.957.80000114R270S266-R270 PolarHBondContact O-N 2.87Å; S266-R270 VanDerWaalsContact O-N 3.09Å
267E80.9Confident83.6Confident97 Ų9757 Ų5745%0.45329%0.286SS..Hα-helixtrans-69.7-44.7177.4-61.3-58.6101.200112R265 I269 R270 I271R265-E267 VanDerWaalsContact C-N 3.26Å; R265-E267 PolarHBondContact O-N 3.11Å; R265-E267 VanDerWaalsContact O-N 3.17Å; E267-I269 VanDerWaalsContact C-N 3.33Å; E267-I269 PolarHBondContact O-N 3.37Å; E267-R270 PolarHBondContact O-N 3.33Å; E267-R270 IonicContact OE1-CZ 3.2Å; E267-R270 IonicContact OE1-NH1 2.79Å; E267-R270 PolarHBondContact OE1-NH1 2.64Å; E267-R270 IonicContact OE1-NH2 2.68Å; E267-R270 IonicContact OE2-CZ 2.72Å; E267-R270 IonicContact OE2-NH1 2.62Å; E267-R270 PolarHBondContact OE2-NH1 2.92Å; E267-R270 IonicContact OE2-NH2 2.79Å; E267-R270 PolarHBondContact OE2-NH2 2.98Å; E267-I271 WeakPolarHBondContact O-CD1 3.47Å; E267-I271 VanDerWaalsContact O-CG1 3.27Å; E267-I271 WeakPolarHBondContact O-CG1 3.4Å; E267-I271 PolarHBondContact O-N 2.61Å
268D83.9Confident83.4Confident11 Ų1160.7 Ų60.76%0.05931%0.305CS..Hα-helixtrans-62.6-41.6176.6-66.3-26.6000110.5E260 R263 R265 R270 I271 G272E260-D268 HydrophobicContact CB-CB 4.21Å; E260-D268 WeakPolarHBondContact O-CB 3.49Å; R263-D268 HydrophobicContact CB-CB 4.28Å; R263-D268 WeakPolarHBondContact CB-OD2 3.42Å; R263-D268 VanDerWaalsContact CD-OD2 3.24Å; R263-D268 WeakPolarHBondContact CD-OD2 3.29Å; R265-D268 HydrophobicContact CB-CB 4.35Å; R265-D268 IonicContact CZ-OD1 2.67Å; R265-D268 IonicContact CZ-OD2 2.71Å; R265-D268 IonicContact NE-OD1 3.38Å; R265-D268 IonicContact NE-OD2 3.18Å; R265-D268 PolarHBondContact NE-OD2 2.86Å; R265-D268 IonicContact NH2-OD1 3.5Å; R265-D268 PolarHBondContact NH2-OD1 2.94Å; R265-D268 IonicContact NH2-OD2 2.65Å; R265-D268 PolarHBondContact NH2-OD2 3.09Å; R265-D268 PolarHBondContact O-N 2.75Å; D268-R270 PolarHBondContact O-N 3.47Å; D268-I271 PolarHBondContact O-N 3.45Å; D268-G272 PolarHBondContact O-N 2.9Å
269I81.4Confident83.2Confident57 Ų5758.6 Ų58.629%0.29229%0.292SS..Hα-helixtrans-60.1-44.4175.9-67.6165.7000110.7L261 G264 R265 E267 I271 G272 V273L261-I269 HydrophobicContact CD2-CB 4.38Å; L261-I269 HydrophobicContact CD2-CG1 4.34Å; L261-I269 HydrophobicContact CD2-CG2 4.03Å; G264-I269 WeakPolarHBondContact O-CD1 3.49Å; R265-I269 WeakPolarHBondContact O-CG1 3.3Å; R265-I269 PolarHBondContact O-N 3.03Å; E267-I269 VanDerWaalsContact C-N 3.33Å; E267-I269 PolarHBondContact O-N 3.37Å; I269-I271 PolarHBondContact O-N 2.89Å; I269-G272 PolarHBondContact O-N 3.31Å; I269-V273 VanDerWaalsContact O-CG2 3.28Å; I269-V273 WeakPolarHBondContact O-CG2 3.42Å; I269-V273 PolarHBondContact O-N 3.18Å
270R81.7Confident83Confident123 Ų12362.4 Ų62.446%0.46431%0.307SS..Hα-helixtrans-62.1-43.5177.5-170-178.869.5-120.1-6.7111.6S266 E267 D268 Q274S266-R270 PolarHBondContact O-N 2.87Å; S266-R270 VanDerWaalsContact O-N 3.09Å; E267-R270 PolarHBondContact O-N 3.33Å; E267-R270 IonicContact OE1-CZ 3.2Å; E267-R270 IonicContact OE1-NH1 2.79Å; E267-R270 PolarHBondContact OE1-NH1 2.64Å; E267-R270 IonicContact OE1-NH2 2.68Å; E267-R270 IonicContact OE2-CZ 2.72Å; E267-R270 IonicContact OE2-NH1 2.62Å; E267-R270 PolarHBondContact OE2-NH1 2.92Å; E267-R270 IonicContact OE2-NH2 2.79Å; E267-R270 PolarHBondContact OE2-NH2 2.98Å; D268-R270 PolarHBondContact O-N 3.47Å; R270-Q274 VanDerWaalsContact O-CG 3.31Å; R270-Q274 WeakPolarHBondContact O-CG 3.45Å; R270-Q274 PolarHBondContact O-N 3.42Å
271I83.3Confident82.8Confident51 Ų5168.6 Ų68.626%0.26234%0.336SS..Hα-helixtrans-68.1-42.1179.7-62.9163.1000110.8E260 E267 D268 I269 Q274 R275E260-I271 WeakPolarHBondContact OE2-CG2 3.44Å; E267-I271 WeakPolarHBondContact O-CD1 3.47Å; E267-I271 VanDerWaalsContact O-CG1 3.27Å; E267-I271 WeakPolarHBondContact O-CG1 3.4Å; E267-I271 PolarHBondContact O-N 2.61Å; D268-I271 PolarHBondContact O-N 3.45Å; I269-I271 PolarHBondContact O-N 2.89Å; I271-Q274 WeakPolarHBondContact O-CB 3.36Å; I271-Q274 PolarHBondContact O-N 3.31Å; I271-R275 PolarHBondContact O-N 3.42Å
272G83.6Confident82.9Confident0 Ų070.2 Ų70.20%034%0.344CS..Hα-helixtrans-59.8-47.2175.600000112.1A257 D268 I269 Q274 R275 L276A257-G272 WeakPolarHBondContact CB-O 3.14Å; D268-G272 PolarHBondContact O-N 2.9Å; I269-G272 PolarHBondContact O-N 3.31Å; G272-Q274 VanDerWaalsContact C-N 3.33Å; G272-Q274 PolarHBondContact O-N 3.44Å; G272-R275 PolarHBondContact O-N 3.37Å; G272-R275 VanDerWaalsContact O-N 3.13Å; G272-L276 WeakPolarHBondContact O-CG 3.49Å; G272-L276 PolarHBondContact O-N 2.81Å
273V82.9Confident82.9Confident20 Ų2067.4 Ų67.412%0.12133%0.329CS..Hα-helixtrans-63.8-35.7175.8173.20000112.4L261 I269 L276 T277 H296L261-V273 HydrophobicContact CD2-CG2 4.31Å; I269-V273 VanDerWaalsContact O-CG2 3.28Å; I269-V273 WeakPolarHBondContact O-CG2 3.42Å; I269-V273 PolarHBondContact O-N 3.18Å; V273-L276 PolarHBondContact O-N 3.47Å; V273-T277 PolarHBondContact O-N 2.94Å; V273-T277 PolarHBondContact O-OG1 2.99Å; V273-H296 HydrophobicContact CG2-CB 4.31Å
274Q84Confident82.7Confident102 Ų10262.9 Ų62.948%0.47732%0.32SS..Hα-helixtrans-62.2-44.2171.9-75.7172-27.200111.1R270 I271 G272 T277 I278R270-Q274 VanDerWaalsContact O-CG 3.31Å; R270-Q274 WeakPolarHBondContact O-CG 3.45Å; R270-Q274 PolarHBondContact O-N 3.42Å; I271-Q274 WeakPolarHBondContact O-CB 3.36Å; I271-Q274 PolarHBondContact O-N 3.31Å; G272-Q274 VanDerWaalsContact C-N 3.33Å; G272-Q274 PolarHBondContact O-N 3.44Å; Q274-T277 WeakPolarHBondContact O-CB 3.49Å; Q274-T277 PolarHBondContact O-N 3.49Å; Q274-I278 WeakPolarHBondContact O-CG1 3.43Å; Q274-I278 PolarHBondContact O-N 3.34Å
275R84.8Confident83Confident52 Ų5262.8 Ų62.820%0.19631%0.307CS..Hα-helixtrans-67.5-35176.2-69.4-176.1-166.5150.321.8113.3L253 A257 E260 I271 G272 I278 A279L253-R275 HydrophobicContact CD2-CB 4.13Å; L253-R275 HydrophobicContact CD2-CG 4.07Å; A257-R275 HydrophobicContact CB-CB 4.05Å; E260-R275 IonicContact OE1-CZ 2.63Å; E260-R275 IonicContact OE1-NH1 2.61Å; E260-R275 PolarHBondContact OE1-NH1 2.92Å; E260-R275 IonicContact OE1-NH2 3.97Å; E260-R275 PolarHBondContact OE1-NH2 3.25Å; E260-R275 IonicContact OE2-CZ 2.62Å; E260-R275 IonicContact OE2-NE 3.74Å; E260-R275 IonicContact OE2-NH1 3.87Å; E260-R275 PolarHBondContact OE2-NH1 3.44Å; E260-R275 IonicContact OE2-NH2 2.76Å; E260-R275 PolarHBondContact OE2-NH2 2.74Å; I271-R275 PolarHBondContact O-N 3.42Å; G272-R275 PolarHBondContact O-N 3.37Å; G272-R275 VanDerWaalsContact O-N 3.13Å; R275-I278 PolarHBondContact O-N 2.92Å; R275-A279 VanDerWaalsContact O-CB 3.28Å; R275-A279 WeakPolarHBondContact O-CB 3.44Å; R275-A279 PolarHBondContact O-N 3.23Å
276L84.4Confident83.2Confident0 Ų056.6 Ų56.60%028%0.284CS..Hα-helixtrans-64.3-40.5170.7-67.8-178.5000112.1V254 A257 L261 G272 V273 A279 Y280 A289 A292 L293V254-L276 HydrophobicContact CG1-CD2 4.27Å; V254-L276 HydrophobicContact CG2-CD2 4.35Å; A257-L276 HydrophobicContact CB-CD2 3.56Å; A257-L276 HydrophobicContact CB-CG 3.7Å; L261-L276 HydrophobicContact CD1-CD1 3.98Å; G272-L276 WeakPolarHBondContact O-CG 3.49Å; G272-L276 PolarHBondContact O-N 2.81Å; V273-L276 PolarHBondContact O-N 3.47Å; L276-A279 PolarHBondContact O-N 3.11Å; L276-Y280 WeakPolarHBondContact O-CB 3.19Å; L276-Y280 PolarHBondContact O-N 3.4Å; L276-A289 HydrophobicContact CD2-CB 4.37Å; L276-A292 HydrophobicContact CD1-CB 3.55Å; L276-A292 HydrophobicContact CD2-CB 4.21Å; L276-L293 HydrophobicContact CB-CD1 4.48Å; L276-L293 HydrophobicContact CB-CD2 3.69Å; L276-L293 HydrophobicContact CB-CG 3.93Å; L276-L293 HydrophobicContact CD1-CD2 4.22Å; L276-L293 HydrophobicContact CD1-CG 4.28Å
277T82.4Confident83.6Confident41 Ų4153.7 Ų53.725%0.25226%0.263SS..Hα-helixtrans-62.4-44.2176.4-52.10000111V273 Q274 Y280 Q281 L316V273-T277 PolarHBondContact O-N 2.94Å; V273-T277 PolarHBondContact O-OG1 2.99Å; Q274-T277 WeakPolarHBondContact O-CB 3.49Å; Q274-T277 PolarHBondContact O-N 3.49Å; T277-Y280 PolarHBondContact O-N 3.08Å; T277-Q281 WeakPolarHBondContact O-CG 3.3Å; T277-Q281 PolarHBondContact O-N 3.09Å; T277-L316 HydrophobicContact CG2-CD1 4.44Å
278I83.7Confident83.9Confident77 Ų7752.4 Ų52.440%0.39526%0.258SS..Hα-helixtrans-64.3-44.7175.2-64.4162.8000110.7L253 Q274 R275 Y280 Q281 L282L253-I278 HydrophobicContact CD1-CG2 3.98Å; L253-I278 HydrophobicContact CD2-CG2 4.5Å; Q274-I278 WeakPolarHBondContact O-CG1 3.43Å; Q274-I278 PolarHBondContact O-N 3.34Å; R275-I278 PolarHBondContact O-N 2.92Å; I278-Y280 VanDerWaalsContact C-N 3.31Å; I278-Y280 PolarHBondContact O-N 3.48Å; I278-Q281 WeakPolarHBondContact O-CB 3.05Å; I278-Q281 PolarHBondContact O-N 3.2Å; I278-Q281 VanDerWaalsContact O-N 3.14Å; I278-L282 HydrophobicContact CG2-CD1 4.05Å; I278-L282 WeakPolarHBondContact O-CG 3.13Å; I278-L282 PolarHBondContact O-N 2.88Å
279A85.3Confident84Confident0 Ų051.9 Ų51.90%026%0.256CS..Hα-helixtrans-58.8-41.117700000112.5V250 L253 V254 R275 L276 L282 D283V250-A279 HydrophobicContact CG1-CB 4.09Å; L253-A279 HydrophobicContact CB-CB 4.16Å; V254-A279 HydrophobicContact CG2-CB 3.46Å; V254-A279 VanDerWaalsContact CG2-CB 3.46Å; R275-A279 VanDerWaalsContact O-CB 3.28Å; R275-A279 WeakPolarHBondContact O-CB 3.44Å; R275-A279 PolarHBondContact O-N 3.23Å; L276-A279 PolarHBondContact O-N 3.11Å; A279-L282 PolarHBondContact O-N 2.77Å; A279-D283 PolarHBondContact O-N 3.38Å
280Y82.2Confident84.3Confident97 Ų9749.1 Ų49.138%0.3824%0.242SC..Hα-helixtrans-70.6-29.8175.8176.8-101000113.3L276 T277 I278 L282 D283 G284 L290 L293 L326L276-Y280 WeakPolarHBondContact O-CB 3.19Å; L276-Y280 PolarHBondContact O-N 3.4Å; T277-Y280 PolarHBondContact O-N 3.08Å; I278-Y280 VanDerWaalsContact C-N 3.31Å; I278-Y280 PolarHBondContact O-N 3.48Å; Y280-L282 VanDerWaalsContact C-N 3.34Å; Y280-D283 CarbonylContact O-C 3.52Å; Y280-G284 WeakPolarHBondContact O-CA 3.36Å; Y280-G284 PolarHBondContact O-N 3.06Å; Y280-G284 VanDerWaalsContact O-N 3.14Å; Y280-L290 HydrophobicContact CD2-CD2 3.89Å; Y280-L290 HydrophobicContact CE2-CD2 3.65Å; Y280-L293 HydrophobicContact CD2-CD1 4.29Å; Y280-L293 HydrophobicContact CG-CD1 3.97Å; Y280-L326 HydrophobicContact CE2-CD2 4.03Å
281Q83.8Confident84.6Confident144 Ų14443.9 Ų43.967%0.67322%0.223SC*.Hα-helixtrans-71-29.2171.3-74.4171.4-21.400112.7T277 I278T277-Q281 WeakPolarHBondContact O-CG 3.3Å; T277-Q281 PolarHBondContact O-N 3.09Å; I278-Q281 WeakPolarHBondContact O-CB 3.05Å; I278-Q281 PolarHBondContact O-N 3.2Å; I278-Q281 VanDerWaalsContact O-N 3.14Å
282L86.8Confident84.8Confident79 Ų7942.3 Ų42.341%0.41422%0.217SC..Hα-helixtrans-83.5-43176.7-69.3170000112.8D248 V250 L253 I278 A279 Y280D248-L282 HydrophobicContact CB-CD1 4.27Å; D248-L282 HydrophobicContact CB-CD2 4.19Å; V250-L282 HydrophobicContact CG2-CB 3.71Å; V250-L282 HydrophobicContact CG2-CD1 4.36Å; L253-L282 HydrophobicContact CD1-CD1 3.57Å; I278-L282 HydrophobicContact CG2-CD1 4.05Å; I278-L282 WeakPolarHBondContact O-CG 3.13Å; I278-L282 PolarHBondContact O-N 2.88Å; A279-L282 PolarHBondContact O-N 2.77Å; Y280-L282 VanDerWaalsContact C-N 3.34Å
283D83.1Confident84.8Confident53 Ų5342.5 Ų42.528%0.28322%0.218SC..  trans-141.2100.1169.8178.123.1000111.3V250 A279 Y280 N285 H286V250-D283 HydrophobicContact CG1-CB 4.39Å; V250-D283 HydrophobicContact CG2-CB 4.13Å; A279-D283 PolarHBondContact O-N 3.38Å; Y280-D283 CarbonylContact O-C 3.52Å; D283-N285 PolarHBondContact O-N 3.33Å; D283-N285 WeakPolarHBondContact OD1-CA 3.2Å; D283-N285 VanDerWaalsContact OD1-CB 3.24Å; D283-N285 WeakPolarHBondContact OD1-CB 3.13Å; D283-N285 PolarHBondContact OD1-N 3.11Å; D283-N285 PolarHBondContact OD1-ND2 3.29Å; D283-H286 HydrophobicContact CB-CB 4.31Å; D283-H286 PolarHBondContact O-N 2.95Å; D283-H286 VanDerWaalsContact O-N 3.12Å; D283-H286 PolarHBondContact OD2-N 3.49Å
284G80.4Confident84.9Confident25 Ų2541.6 Ų41.626%0.25821%0.212SC..THydrogen-bonded Turntrans-65.1-4.7175.300000114.7Y280 H329Y280-G284 WeakPolarHBondContact O-CA 3.36Å; Y280-G284 PolarHBondContact O-N 3.06Å; Y280-G284 VanDerWaalsContact O-N 3.14Å; G284-H329 PolarHBondContact O-CE1 3.44Å; G284-H329 VanDerWaalsContact O-CE1 3.24Å; G284-H329 PolarHBondContact O-ND1 2.98Å
285N84.7Confident84.9Confident54 Ų5439 Ų3929%0.28920%0.202SC..THydrogen-bonded Turntrans-98.1-12176.1-48-87.9000112.9R100 D283 P287 V333R100-N285 PolarHBondContact NH2-OD1 3.38Å; D283-N285 PolarHBondContact O-N 3.33Å; D283-N285 WeakPolarHBondContact OD1-CA 3.2Å; D283-N285 VanDerWaalsContact OD1-CB 3.24Å; D283-N285 WeakPolarHBondContact OD1-CB 3.13Å; D283-N285 PolarHBondContact OD1-N 3.11Å; D283-N285 PolarHBondContact OD1-ND2 3.29Å; N285-P287 WeakPolarHBondContact O-CD 3.35Å; N285-V333 HydrophobicContact CB-CG1 4.28Å; N285-V333 WeakPolarHBondContact O-CG1 3.48Å
286H85.8Confident84.7Confident18 Ų1838.5 Ų38.58%0.08320%0.202CC..  trans-64.4114-169.6-17683.4000111.3V250 D251 D283 I288 A289 L290V250-H286 HydrophobicContact CG1-CB 3.76Å; D251-H286 IonicContact OD1-CE1 2.69Å; D251-H286 PolarHBondContact OD1-CE1 3.23Å; D251-H286 IonicContact OD1-ND1 2.71Å; D283-H286 HydrophobicContact CB-CB 4.31Å; D283-H286 PolarHBondContact O-N 2.95Å; D283-H286 VanDerWaalsContact O-N 3.12Å; D283-H286 PolarHBondContact OD2-N 3.49Å; H286-I288 PolarHBondContact O-N 3.1Å; H286-A289 HydrophobicContact CB-CB 4.36Å; H286-A289 PolarHBondContact CD2-N 2.99Å; H286-A289 WeakPolarHBondContact O-CB 3.26Å; H286-A289 PolarHBondContact O-N 2.63Å; H286-A289 VanDerWaalsContact O-N 3.11Å; H286-L290 PolarHBondContact O-N 3.48Å; H286-L290 VanDerWaalsContact O-N 3.08Å
287P86.3Confident84.4Confident27 Ų2740.8 Ų40.818%0.17521%0.212CC..Hα-helixtrans-72.5-32.9-158.426-35.3000114N285 A289 L290 I291 T334 L339N285-P287 WeakPolarHBondContact O-CD 3.35Å; P287-A289 VanDerWaalsContact C-N 3.28Å; P287-A289 PolarHBondContact O-N 3.46Å; P287-L290 PolarHBondContact O-N 3.35Å; P287-I291 VanDerWaalsContact O-CG1 3.28Å; P287-I291 WeakPolarHBondContact O-CG1 3.43Å; P287-I291 PolarHBondContact O-N 3.04Å; P287-T334 HydrophobicContact CB-CG2 3.28Å; P287-T334 HydrophobicContact CG-CG2 3.9Å; P287-L339 HydrophobicContact CG-CD1 4.28Å
288I88.2Confident84.3Confident69 Ų6940.1 Ų40.135%0.35421%0.205SC..Hα-helixtrans-70.1-31.3177.8-57.1171.4000110.1V254 V258 H286 A292 L339V254-I288 HydrophobicContact CG1-CB 3.86Å; V254-I288 HydrophobicContact CG1-CG2 3.61Å; V258-I288 HydrophobicContact CG2-CG2 4.12Å; H286-I288 PolarHBondContact O-N 3.1Å; I288-A292 WeakPolarHBondContact O-CB 3.5Å; I288-A292 PolarHBondContact O-N 2.99Å; I288-L339 HydrophobicContact CG1-CD1 4.13Å; I288-L339 HydrophobicContact CG1-CD2 4.06Å
289A86.3Confident83.8Confident0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-70.7-44.3174.800000110.8V254 L276 H286 P287 I291 A292 L293V254-A289 HydrophobicContact CG2-CB 3.87Å; L276-A289 HydrophobicContact CD2-CB 4.37Å; H286-A289 HydrophobicContact CB-CB 4.36Å; H286-A289 PolarHBondContact CD2-N 2.99Å; H286-A289 WeakPolarHBondContact O-CB 3.26Å; H286-A289 PolarHBondContact O-N 2.63Å; H286-A289 VanDerWaalsContact O-N 3.11Å; P287-A289 VanDerWaalsContact C-N 3.28Å; P287-A289 PolarHBondContact O-N 3.46Å; A289-I291 PolarHBondContact O-N 2.98Å; A289-A292 PolarHBondContact O-N 3.14Å; A289-L293 WeakPolarHBondContact O-CB 3.32Å; A289-L293 VanDerWaalsContact O-CG 3.22Å; A289-L293 WeakPolarHBondContact O-CG 3.49Å; A289-L293 PolarHBondContact O-N 3.32Å
290L87.2Confident83.1Confident0 Ų043.3 Ų43.30%022%0.217CC..Hα-helixtrans-57.5-47.2174.2-66.9170.9000111.9Y280 H286 P287 A294 L326 H329 A330Y280-L290 HydrophobicContact CD2-CD2 3.89Å; Y280-L290 HydrophobicContact CE2-CD2 3.65Å; H286-L290 PolarHBondContact O-N 3.48Å; H286-L290 VanDerWaalsContact O-N 3.08Å; P287-L290 PolarHBondContact O-N 3.35Å; L290-A294 WeakPolarHBondContact O-CB 3.36Å; L290-A294 PolarHBondContact O-N 2.7Å; L290-L326 HydrophobicContact CD2-CD2 3.5Å; L290-L326 VanDerWaalsContact CD2-CD2 3.5Å; L290-H329 HydrophobicContact CD1-CB 4.18Å; L290-H329 WeakPolarHBondContact CD1-ND1 3.43Å; L290-A330 HydrophobicContact CB-CB 3.79Å; L290-A330 HydrophobicContact CD1-CB 4.3Å
291I88.4Confident82.1Confident13 Ų1343 Ų437%0.06722%0.217CC..Hα-helixtrans-64.8-46.7178.4-67.6165.7000111.3P287 A289 A294 D295 A330 L339 Q342 A343 Q346P287-I291 VanDerWaalsContact O-CG1 3.28Å; P287-I291 WeakPolarHBondContact O-CG1 3.43Å; P287-I291 PolarHBondContact O-N 3.04Å; A289-I291 PolarHBondContact O-N 2.98Å; I291-A294 PolarHBondContact O-N 3.13Å; I291-D295 PolarHBondContact O-N 3.18Å; I291-A330 HydrophobicContact CD1-CB 4.25Å; I291-A330 HydrophobicContact CG1-CB 3.65Å; I291-L339 HydrophobicContact CD1-CB 4.2Å; I291-L339 HydrophobicContact CD1-CD2 4.37Å; I291-Q342 HydrophobicContact CD1-CB 4.28Å; I291-Q342 HydrophobicContact CG2-CB 4.2Å; I291-A343 HydrophobicContact CD1-CB 4.28Å; I291-A343 HydrophobicContact CG1-CB 4.27Å; I291-Q346 HydrophobicContact CG2-CG 4.35Å
292A86.9Confident80.7Confident17 Ų1738.8 Ų38.814%0.1420%0.201CC..Hα-helixtrans-71.3-31.3-178.500000112.9L276 I288 A289 H296L276-A292 HydrophobicContact CD1-CB 3.55Å; L276-A292 HydrophobicContact CD2-CB 4.21Å; I288-A292 WeakPolarHBondContact O-CB 3.5Å; I288-A292 PolarHBondContact O-N 2.99Å; A289-A292 PolarHBondContact O-N 3.14Å; A292-H296 WeakPolarHBondContact O-CB 3.38Å; A292-H296 PolarHBondContact O-N 3.18Å
293L83.3Confident78.7Confident5 Ų540.6 Ų40.63%0.02621%0.209CC..Hα-helixtrans-69.3-44.2170.2-74.8171.6000111.2L276 Y280 A289 D295 H296 F297 L326L276-L293 HydrophobicContact CB-CD1 4.48Å; L276-L293 HydrophobicContact CB-CD2 3.69Å; L276-L293 HydrophobicContact CB-CG 3.93Å; L276-L293 HydrophobicContact CD1-CD2 4.22Å; L276-L293 HydrophobicContact CD1-CG 4.28Å; Y280-L293 HydrophobicContact CD2-CD1 4.29Å; Y280-L293 HydrophobicContact CG-CD1 3.97Å; A289-L293 WeakPolarHBondContact O-CB 3.32Å; A289-L293 VanDerWaalsContact O-CG 3.22Å; A289-L293 WeakPolarHBondContact O-CG 3.49Å; A289-L293 PolarHBondContact O-N 3.32Å; L293-D295 VanDerWaalsContact C-N 3.33Å; L293-D295 PolarHBondContact O-N 3.12Å; L293-H296 PolarHBondContact O-N 3.26Å; L293-F297 HydrophobicContact CB-CD2 4.23Å; L293-F297 HydrophobicContact CB-CE2 4.05Å; L293-F297 HydrophobicContact CD2-CE2 4.26Å; L293-F297 WeakPolarHBondContact O-CB 3.48Å; L293-F297 WeakPolarHBondContact O-CD2 3.45Å; L293-F297 WeakPolarHBondContact O-CG 3.49Å; L293-F297 PolarHBondContact O-N 3.47Å; L293-L326 HydrophobicContact CB-CD1 4.12Å
294A84.4Confident77Confident0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-57.8-45.3174.900000111.5L290 I291 F297 F298 C323 L326 A327L290-A294 WeakPolarHBondContact O-CB 3.36Å; L290-A294 PolarHBondContact O-N 2.7Å; I291-A294 PolarHBondContact O-N 3.13Å; A294-F297 PolarHBondContact O-N 3.28Å; A294-F298 WeakPolarHBondContact O-CB 3.29Å; A294-F298 PolarHBondContact O-N 2.86Å; A294-C323 PolarHBondContact O-SG 3.43Å; A294-C323 VanDerWaalsContact O-SG 3.36Å; A294-L326 HydrophobicContact CB-CB 4.08Å; A294-A327 HydrophobicContact CB-CB 4.41Å
295D85.3Confident75Confident48 Ų4852.2 Ų52.226%0.25725%0.247SC..Hα-helixtrans-59.8-48174.7-169.260000112.1I291 L293 F297 F298 F299 Q346 R349I291-D295 PolarHBondContact O-N 3.18Å; L293-D295 VanDerWaalsContact C-N 3.33Å; L293-D295 PolarHBondContact O-N 3.12Å; D295-F297 PolarHBondContact O-N 3.41Å; D295-F298 PolarHBondContact O-N 3.49Å; D295-F299 VanDerWaalsContact O-CD2 3.3Å; D295-F299 WeakPolarHBondContact O-CD2 3.31Å; D295-F299 PolarHBondContact O-N 3.22Å; D295-F299 WeakPolarHBondContact OD1-CE2 3.43Å; D295-F299 WeakPolarHBondContact OD2-CE2 3.49Å; D295-Q346 PolarHBondContact OD1-NE2 2.93Å; D295-R349 IonicContact OD1-CZ 2.81Å; D295-R349 IonicContact OD1-NH1 2.72Å; D295-R349 PolarHBondContact OD1-NH1 2.94Å; D295-R349 IonicContact OD1-NH2 3.11Å; D295-R349 PolarHBondContact OD1-NH2 3.4Å
296H80.1Confident72.7Confident41 Ų4155.9 Ų55.919%0.1927%0.266CS..Hα-helixtrans-61.2-43.4176.4177.464.2000112.7V273 A292 L293 F299 K300V273-H296 HydrophobicContact CG2-CB 4.31Å; A292-H296 WeakPolarHBondContact O-CB 3.38Å; A292-H296 PolarHBondContact O-N 3.18Å; L293-H296 PolarHBondContact O-N 3.26Å; H296-F299 PolarHBondContact O-N 3.31Å; H296-K300 VanDerWaalsContact O-CB 3.27Å; H296-K300 WeakPolarHBondContact O-CB 3.46Å; H296-K300 PolarHBondContact O-N 3.36Å
297F77.7Confident70.1Confident49 Ų4964.6 Ų64.622%0.21530%0.298CS..Hα-helixtrans-66.8-36.2179.3-74-56.8000112L293 A294 D295 K300 K301 L326L293-F297 HydrophobicContact CB-CD2 4.23Å; L293-F297 HydrophobicContact CB-CE2 4.05Å; L293-F297 HydrophobicContact CD2-CE2 4.26Å; L293-F297 WeakPolarHBondContact O-CB 3.48Å; L293-F297 WeakPolarHBondContact O-CD2 3.45Å; L293-F297 WeakPolarHBondContact O-CG 3.49Å; L293-F297 PolarHBondContact O-N 3.47Å; A294-F297 PolarHBondContact O-N 3.28Å; D295-F297 PolarHBondContact O-N 3.41Å; F297-K300 PolarHBondContact O-N 3.42Å; F297-K301 PolarHBondContact O-N 2.95Å; F297-L326 HydrophobicContact CD2-CD1 3.58Å; F297-L326 HydrophobicContact CE2-CD1 3.69Å
298F79.4Confident67.5Low26 Ų2670.3 Ų70.311%0.11433%0.333CS..Hα-helixtrans-60.9-53.3170.7-176.7-86.1000111.3A294 D295 K300 K301 V302 R349 D353A294-F298 WeakPolarHBondContact O-CB 3.29Å; A294-F298 PolarHBondContact O-N 2.86Å; D295-F298 PolarHBondContact O-N 3.49Å; F298-K300 PolarHBondContact O-N 3.16Å; F298-K301 WeakPolarHBondContact O-CB 3.34Å; F298-K301 PolarHBondContact O-N 3.32Å; F298-V302 HydrophobicContact CD1-CG2 4.3Å; F298-V302 HydrophobicContact CE1-CG2 3.9Å; F298-V302 HydrophobicContact CZ-CG2 4.38Å; F298-V302 PolarHBondContact O-N 3.12Å; F298-V302 VanDerWaalsContact O-N 3.14Å; F298-R349 VanDerWaalsContact CD1-NE 3.35Å; F298-R349 VanDerWaalsContact CD1-NH2 3.33Å; F298-R349 HydrophobicContact CD2-CG 4.39Å; F298-R349 HydrophobicContact CE1-CG 4.1Å; F298-R349 HydrophobicContact CE2-CG 3.8Å; F298-R349 HydrophobicContact CZ-CG 3.64Å; F298-D353 HydrophobicContact CE2-CB 3.83Å; F298-D353 HydrophobicContact CZ-CB 4.33Å
299F73.9Confident64.8Low97 Ų9770.5 Ų70.543%0.42535%0.345SS..Hα-helixtrans-59.8-33176-81.2-65.6000112.6D295 H296 V302 M303D295-F299 VanDerWaalsContact O-CD2 3.3Å; D295-F299 WeakPolarHBondContact O-CD2 3.31Å; D295-F299 PolarHBondContact O-N 3.22Å; D295-F299 WeakPolarHBondContact OD1-CE2 3.43Å; D295-F299 WeakPolarHBondContact OD2-CE2 3.49Å; H296-F299 PolarHBondContact O-N 3.31Å; F299-V302 PolarHBondContact O-N 3.16Å; F299-M303 WeakPolarHBondContact O-CB 3.32Å; F299-M303 VanDerWaalsContact O-CG 3.25Å; F299-M303 WeakPolarHBondContact O-CG 3.19Å; F299-M303 PolarHBondContact O-N 3.18Å
300K70.4Confident62.4Low47 Ų4778.5 Ų78.520%0.20439%0.386CS..Hα-helixtrans-70.7-29.1174.9-170.1173.5179.7177.70113H296 F297 F298 R304 T313H296-K300 VanDerWaalsContact O-CB 3.27Å; H296-K300 WeakPolarHBondContact O-CB 3.46Å; H296-K300 PolarHBondContact O-N 3.36Å; F297-K300 PolarHBondContact O-N 3.42Å; F298-K300 PolarHBondContact O-N 3.16Å; K300-R304 WeakPolarHBondContact O-CB 3.44Å; K300-R304 WeakPolarHBondContact O-CG 3.22Å; K300-R304 PolarHBondContact O-N 3.34Å; K300-T313 PolarHBondContact NZ-OG1 2.98Å
301K62.6Low59.8Low90 Ų9086 Ų8639%0.39142%0.421SS..Hα-helixtrans-64.9-50.9169.4-170.8-171.5176.9-166.80110.1F297 F298 M303 R304 F305 D353F297-K301 PolarHBondContact O-N 2.95Å; F298-K301 WeakPolarHBondContact O-CB 3.34Å; F298-K301 PolarHBondContact O-N 3.32Å; K301-M303 PolarHBondContact O-N 3.11Å; K301-R304 WeakPolarHBondContact O-CB 3.35Å; K301-R304 PolarHBondContact O-N 2.95Å; K301-F305 PolarHBondContact O-N 3.4Å; K301-D353 WeakPolarHBondContact CD-OD2 3.36Å; K301-D353 WeakPolarHBondContact CE-OD2 3.39Å; K301-D353 IonicContact NZ-OD1 3.68Å; K301-D353 IonicContact NZ-OD2 3.47Å; K301-D353 PolarHBondContact NZ-OD2 3.34Å
302V53.2Low57.3Low56 Ų5692.7 Ų92.734%0.33946%0.456SS..Hα-helixtrans-58.5-45176.6-179.90000111.4F298 F299 F305 L306F298-V302 HydrophobicContact CD1-CG2 4.3Å; F298-V302 HydrophobicContact CE1-CG2 3.9Å; F298-V302 HydrophobicContact CZ-CG2 4.38Å; F298-V302 PolarHBondContact O-N 3.12Å; F298-V302 VanDerWaalsContact O-N 3.14Å; F299-V302 PolarHBondContact O-N 3.16Å; V302-F305 WeakPolarHBondContact O-CB 3.21Å; V302-F305 PolarHBondContact O-N 3.29Å; V302-L306 HydrophobicContact CG1-CD1 4.49Å; V302-L306 PolarHBondContact O-N 3.4Å
303M44.1Very low55Low118 Ų11895.3 Ų95.358%0.58147%0.47SS*.Hα-helixtrans-72.6-26.8179.1-70.9-71.7171.800113.9F299 K301 F305 L306 R307F299-M303 WeakPolarHBondContact O-CB 3.32Å; F299-M303 VanDerWaalsContact O-CG 3.25Å; F299-M303 WeakPolarHBondContact O-CG 3.19Å; F299-M303 PolarHBondContact O-N 3.18Å; K301-M303 PolarHBondContact O-N 3.11Å; M303-F305 VanDerWaalsContact C-N 3.29Å; M303-L306 PolarHBondContact O-N 3.48Å; M303-R307 PolarHBondContact O-N 3.36Å
304R47.5Very low52.9Low130 Ų130101 Ų10149%0.49150%0.5SS..Hα-helixtrans-64.1-35.5169.1-91.6-179.9165.9169.1-2.5111.5K300 K301 L306 T317K300-R304 WeakPolarHBondContact O-CB 3.44Å; K300-R304 WeakPolarHBondContact O-CG 3.22Å; K300-R304 PolarHBondContact O-N 3.34Å; K301-R304 WeakPolarHBondContact O-CB 3.35Å; K301-R304 PolarHBondContact O-N 2.95Å; R304-L306 VanDerWaalsContact C-N 3.31Å; R304-T317 PolarHBondContact NH1-O 3.26Å; R304-T317 PolarHBondContact NH2-O 3.14Å; R304-T317 PolarHBondContact NH2-OG1 3.41Å
305F40.1Very low51Low192 Ų192109.1 Ų109.184%0.84254%0.543SS*.Hα-helixtrans-67.5-31.7175.4-155.7-92.2000112.3K301 V302 M303K301-F305 PolarHBondContact O-N 3.4Å; V302-F305 WeakPolarHBondContact O-CB 3.21Å; V302-F305 PolarHBondContact O-N 3.29Å; M303-F305 VanDerWaalsContact C-N 3.29Å
306L35Very low48.9Very low131 Ų131112 Ų11269%0.68656%0.557SS**Hα-helixtrans-92.9-10.6-179.5-80.1161.3000115.3V302 M303 R304V302-L306 HydrophobicContact CG1-CD1 4.49Å; V302-L306 PolarHBondContact O-N 3.4Å; M303-L306 PolarHBondContact O-N 3.48Å; R304-L306 VanDerWaalsContact C-N 3.31Å
307R32.8Very low47.3Very low200 Ų200110.9 Ų110.976%0.75555%0.554SS**  trans-149.193.6-173.5-149.9170-169.3158.23.4113.3M303 A309M303-R307 PolarHBondContact O-N 3.36Å; R307-A309 PolarHBondContact O-N 3.32Å
308T30.7Very low45.8Very low148 Ų148116.8 Ų116.891%0.90858%0.582SS**  trans-68.410.7-177.946.60000116
309A31.6Very low44.5Very low73 Ų73120.3 Ų120.360%0.60360%0.602SS**  trans-143.785.8-170.300000114.7R307R307-A309 PolarHBondContact O-N 3.32Å
310L35.2Very low43.3Very low167 Ų167119.4 Ų119.487%0.87461%0.606SS**  -164.1123.4128.1-15268.8000112L312L310-L312 PolarHBondContact O-N 2.83Å
311H34Very low42.7Very low159 Ų159121 Ų12174%0.73661%0.614SS**  trans-97.866.6-169.9-173.693.2000112.6
312L36Very low43Very low152 Ų152119.2 Ų119.280%0.79661%0.609SS**  trans-154.753.5179.6-153.969.9000116.6L310L310-L312 PolarHBondContact O-N 2.83Å
313T38.2Very low44.1Very low72 Ų72117 Ų11744%0.44260%0.595SS.*  trans-145.347.6162.939.20000111.8K300 L315 T317K300-T313 PolarHBondContact NZ-OG1 2.98Å; T313-L315 VanDerWaalsContact C-N 3.32Å; T313-L315 PolarHBondContact O-N 2.8Å; T313-L315 VanDerWaalsContact O-N 3.13Å; T313-T317 WeakPolarHBondContact O-CG2 3.5Å; T313-T317 PolarHBondContact O-OG1 2.8Å
314L39.3Very low45.9Very low126 Ų126113.1 Ų113.166%0.6658%0.576SS**THydrogen-bonded Turntrans-79.411.9-159.2-147.681.1000117.1
315L43.9Very low47.6Very low169 Ų169111 Ų11189%0.88558%0.576SS**THydrogen-bonded Turntrans-129.63.3-170.6-99.9155.7000116.3T313T313-L315 VanDerWaalsContact C-N 3.32Å; T313-L315 PolarHBondContact O-N 2.8Å; T313-L315 VanDerWaalsContact O-N 3.13Å
316L42Very low49.7Very low108 Ų108102.5 Ų102.557%0.56554%0.54SS*.SBendtrans-140.714.7176.1-76.7172.8000112.9T277 N322T277-L316 HydrophobicContact CG2-CD1 4.44Å; L316-N322 PolarHBondContact O-ND2 2.8Å
317T44.6Very low52.1Low19 Ų1996.3 Ų96.312%0.11751%0.507CS..  trans-13425-158.370.30000116.2R304 T313R304-T317 PolarHBondContact NH1-O 3.26Å; R304-T317 PolarHBondContact NH2-O 3.14Å; R304-T317 PolarHBondContact NH2-OG1 3.41Å; T313-T317 WeakPolarHBondContact O-CG2 3.5Å; T313-T317 PolarHBondContact O-OG1 2.8Å
318Q47.1Very low54.7Low173 Ų17389.9 Ų89.981%0.80849%0.487SS*.SBendtrans-79.8-46.7-179.5-75.2179.3-74.300113.2
319D51.6Low57.2Low100 Ų10085.9 Ų85.954%0.53546%0.458SS..  trans-105.6139-166.6-59-72.9000115.7E321 N322D319-E321 HydrophobicContact CB-CB 4.44Å; D319-E321 PolarHBondContact O-N 2.9Å; D319-N322 PolarHBondContact O-N 3.15Å
320P50.2Low59.9Low78 Ų7882.4 Ų82.451%0.50643%0.429SS..THydrogen-bonded Turntrans-69.1-21.6172.230.2-34.9000112.6N322 C323P320-N322 PolarHBondContact O-N 3.47Å; P320-C323 PolarHBondContact O-N 2.81Å
321E56.9Low62.3Low79 Ų7976.5 Ų76.537%0.36940%0.396SS..Hα-helixtrans-58.5-24.7175-72.4-62.4105.900112.9D319 C323 K324 V325 Q354D319-E321 HydrophobicContact CB-CB 4.44Å; D319-E321 PolarHBondContact O-N 2.9Å; E321-C323 PolarHBondContact O-N 3.42Å; E321-C323 VanDerWaalsContact O-N 3.11Å; E321-K324 WeakPolarHBondContact O-CA 3.47Å; E321-K324 WeakPolarHBondContact O-CB 3.21Å; E321-K324 PolarHBondContact O-N 2.77Å; E321-V325 WeakPolarHBondContact O-CG2 3.36Å; E321-V325 PolarHBondContact O-N 2.71Å; E321-Q354 PolarHBondContact OE1-NE2 2.99Å
322N68.5Low64.8Low54 Ų5474.9 Ų74.929%0.28939%0.389SS..Hα-helixtrans-55.8-34.1-178.1-73.8-2.6000113.1L316 D319 P320 L326L316-N322 PolarHBondContact O-ND2 2.8Å; D319-N322 PolarHBondContact O-N 3.15Å; P320-N322 PolarHBondContact O-N 3.47Å; N322-L326 VanDerWaalsContact O-CB 3.3Å; N322-L326 WeakPolarHBondContact O-CB 3.44Å; N322-L326 WeakPolarHBondContact O-CD1 3.31Å; N322-L326 WeakPolarHBondContact O-CG 3.3Å; N322-L326 PolarHBondContact O-N 3.03Å
323C77.3Confident67.1Low8 Ų869.3 Ų69.35%0.05436%0.361CS..Hα-helixtrans-68.1-46.2174.6-176.30000111.9A294 P320 E321 L326 A327 A350A294-C323 PolarHBondContact O-SG 3.43Å; A294-C323 VanDerWaalsContact O-SG 3.36Å; P320-C323 PolarHBondContact O-N 2.81Å; E321-C323 PolarHBondContact O-N 3.42Å; E321-C323 VanDerWaalsContact O-N 3.11Å; C323-L326 PolarHBondContact O-N 3.25Å; C323-A327 VanDerWaalsContact O-CB 3.29Å; C323-A327 WeakPolarHBondContact O-CB 3.42Å; C323-A327 PolarHBondContact O-N 2.79Å; C323-A350 HydrophobicContact CB-CB 4.49Å
324K81.2Confident69.2Low38 Ų3866.3 Ų66.317%0.16534%0.342CS..Hα-helixtrans-59.9-47177.7-169172.4-171.5160.20110.8E321 M328 L347 L351 E356E321-K324 WeakPolarHBondContact O-CA 3.47Å; E321-K324 WeakPolarHBondContact O-CB 3.21Å; E321-K324 PolarHBondContact O-N 2.77Å; K324-M328 VanDerWaalsContact O-CB 3.32Å; K324-M328 WeakPolarHBondContact O-CB 3.48Å; K324-M328 VanDerWaalsContact O-CG 3.24Å; K324-M328 WeakPolarHBondContact O-CG 3.46Å; K324-M328 PolarHBondContact O-N 3.05Å; K324-L347 HydrophobicContact CG-CD1 3.78Å; K324-L351 HydrophobicContact CD-CD2 4.44Å; K324-E356 IonicContact NZ-OE2 3.08Å; K324-E356 PolarHBondContact NZ-OE2 2.83Å
325V83Confident71.1Confident84 Ų8465.1 Ų65.151%0.50933%0.333SS..Hα-helixtrans-64.7-47.5178.7173.90000112E321 M328 H329E321-V325 WeakPolarHBondContact O-CG2 3.36Å; E321-V325 PolarHBondContact O-N 2.71Å; V325-M328 PolarHBondContact O-N 3.24Å; V325-H329 WeakPolarHBondContact O-CB 3.41Å; V325-H329 PolarHBondContact O-N 3.21Å
326L84.4Confident73Confident15 Ų1561.8 Ų61.88%0.07932%0.317CS..Hα-helixtrans-65.2-40.5178.8-70.2167.9000112Y280 L290 L293 A294 F297 N322 C323 H329 A330Y280-L326 HydrophobicContact CE2-CD2 4.03Å; L290-L326 HydrophobicContact CD2-CD2 3.5Å; L290-L326 VanDerWaalsContact CD2-CD2 3.5Å; L293-L326 HydrophobicContact CB-CD1 4.12Å; A294-L326 HydrophobicContact CB-CB 4.08Å; F297-L326 HydrophobicContact CD2-CD1 3.58Å; F297-L326 HydrophobicContact CE2-CD1 3.69Å; N322-L326 VanDerWaalsContact O-CB 3.3Å; N322-L326 WeakPolarHBondContact O-CB 3.44Å; N322-L326 WeakPolarHBondContact O-CD1 3.31Å; N322-L326 WeakPolarHBondContact O-CG 3.3Å; N322-L326 PolarHBondContact O-N 3.03Å; C323-L326 PolarHBondContact O-N 3.25Å; L326-H329 PolarHBondContact O-N 2.8Å; L326-A330 PolarHBondContact O-N 2.99Å
327A85.8Confident75Confident0 Ų060 Ų600%031%0.308CS..Hα-helixtrans-67.9-41.3176.700000112.4A294 C323 A330 F331 Q346 L347A294-A327 HydrophobicContact CB-CB 4.41Å; C323-A327 VanDerWaalsContact O-CB 3.29Å; C323-A327 WeakPolarHBondContact O-CB 3.42Å; C323-A327 PolarHBondContact O-N 2.79Å; A327-A330 PolarHBondContact O-N 3.43Å; A327-F331 WeakPolarHBondContact O-CB 2.99Å; A327-F331 PolarHBondContact O-N 3.41Å; A327-Q346 HydrophobicContact CB-CB 4.1Å; A327-L347 HydrophobicContact CB-CB 3.95Å
328M86.2Confident77Confident66 Ų6659.9 Ų59.933%0.32531%0.31SS..Hα-helixtrans-60.8-43.2171.5-78.2-68.2-71.500111.8K324 V325 F331 H332 L347K324-M328 VanDerWaalsContact O-CB 3.32Å; K324-M328 WeakPolarHBondContact O-CB 3.48Å; K324-M328 VanDerWaalsContact O-CG 3.24Å; K324-M328 WeakPolarHBondContact O-CG 3.46Å; K324-M328 PolarHBondContact O-N 3.05Å; V325-M328 PolarHBondContact O-N 3.24Å; M328-F331 PolarHBondContact O-N 3.28Å; M328-H332 WeakPolarHBondContact CE-NE2 3.19Å; M328-H332 PolarHBondContact O-CD2 3.45Å; M328-H332 PolarHBondContact O-N 2.95Å; M328-L347 HydrophobicContact CG-CD1 3.95Å; M328-L347 HydrophobicContact CG-CD2 4.06Å; M328-L347 HydrophobicContact SD-CD1 4.26Å; M328-L347 HydrophobicContact SD-CD2 3.39Å; M328-L347 WeakPolarHBondContact SD-CD2 3.38Å; M328-L347 HydrophobicContact SD-CG 4.48Å
329H84.9Confident79Confident63 Ų6353 Ų5329%0.29228%0.279SS..Hα-helixtrans-63.8-43.9177.5-166.6-137.6000111.3G284 L290 V325 L326 F331 H332 V333G284-H329 PolarHBondContact O-CE1 3.44Å; G284-H329 VanDerWaalsContact O-CE1 3.24Å; G284-H329 PolarHBondContact O-ND1 2.98Å; L290-H329 HydrophobicContact CD1-CB 4.18Å; L290-H329 WeakPolarHBondContact CD1-ND1 3.43Å; V325-H329 WeakPolarHBondContact O-CB 3.41Å; V325-H329 PolarHBondContact O-N 3.21Å; L326-H329 PolarHBondContact O-N 2.8Å; H329-F331 VanDerWaalsContact C-N 3.34Å; H329-F331 PolarHBondContact O-N 3.44Å; H329-H332 PolarHBondContact O-N 3.45Å; H329-V333 WeakPolarHBondContact O-CB 3.29Å; H329-V333 VanDerWaalsContact O-CG2 3.28Å; H329-V333 WeakPolarHBondContact O-CG2 3.46Å; H329-V333 PolarHBondContact O-N 3.24Å
330A86.8Confident80.8Confident0 Ų051.5 Ų51.50%027%0.266CS..Hα-helixtrans-59.5-42.3174.200000112.7L290 I291 L326 A327 V333 T334 A343L290-A330 HydrophobicContact CB-CB 3.79Å; L290-A330 HydrophobicContact CD1-CB 4.3Å; I291-A330 HydrophobicContact CD1-CB 4.25Å; I291-A330 HydrophobicContact CG1-CB 3.65Å; L326-A330 PolarHBondContact O-N 2.99Å; A327-A330 PolarHBondContact O-N 3.43Å; A330-V333 PolarHBondContact O-N 3.11Å; A330-T334 WeakPolarHBondContact O-CB 3.22Å; A330-T334 VanDerWaalsContact O-CG2 3.26Å; A330-T334 WeakPolarHBondContact O-CG2 3.46Å; A330-T334 PolarHBondContact O-N 3.4Å; A330-T334 PolarHBondContact O-OG1 3.46Å; A330-A343 HydrophobicContact CB-CB 4.01Å
331F87.3Confident82.8Confident44 Ų4447.8 Ų47.819%0.19324%0.242CC..Hα-helixtrans-61.8-44.4177.5177.2-108.2000112A327 M328 H329 T334 R340 A343 C344 F370A327-F331 WeakPolarHBondContact O-CB 2.99Å; A327-F331 PolarHBondContact O-N 3.41Å; M328-F331 PolarHBondContact O-N 3.28Å; H329-F331 VanDerWaalsContact C-N 3.34Å; H329-F331 PolarHBondContact O-N 3.44Å; F331-T334 PolarHBondContact O-OG1 2.96Å; F331-R340 HydrophobicContact CD2-CB 4.29Å; F331-R340 HydrophobicContact CD2-CG 4.4Å; F331-R340 HydrophobicContact CE2-CB 4.38Å; F331-R340 HydrophobicContact CE2-CG 4.5Å; F331-A343 HydrophobicContact CB-CB 3.99Å; F331-C344 WeakPolarHBondContact CD2-SG 3.36Å; F331-C344 WeakPolarHBondContact CE2-SG 3.03Å; F331-F370 AromaticContact CE2-CE2 3.95Å; F331-F370 HydrophobicContact CE2-CE2 3.95Å; F331-F370 AromaticContact CE2-CZ 4Å; F331-F370 HydrophobicContact CE2-CZ 4Å
332H86Confident84.5Confident125 Ų12547.3 Ų47.358%0.57924%0.24SC*.Hα-helixtrans-76.1-21.9179.5-69.9-56.7000114.8M328 H329M328-H332 WeakPolarHBondContact CE-NE2 3.19Å; M328-H332 PolarHBondContact O-CD2 3.45Å; M328-H332 PolarHBondContact O-N 2.95Å; H329-H332 PolarHBondContact O-N 3.45Å
333V84Confident85.6Confident35 Ų3544.8 Ų44.821%0.21223%0.226CC..Hα-helixtrans-88-20.6175.9177.20000112.5N285 H329 A330N285-V333 HydrophobicContact CB-CG1 4.28Å; N285-V333 WeakPolarHBondContact O-CG1 3.48Å; H329-V333 WeakPolarHBondContact O-CB 3.29Å; H329-V333 VanDerWaalsContact O-CG2 3.28Å; H329-V333 WeakPolarHBondContact O-CG2 3.46Å; H329-V333 PolarHBondContact O-N 3.24Å; A330-V333 PolarHBondContact O-N 3.11Å
334T82.4Confident86.3Confident8 Ų844.4 Ų44.45%0.04922%0.223CC..  trans-88.7128.7-175.446.20000114.2P287 A330 F331 L339 R340P287-T334 HydrophobicContact CB-CG2 3.28Å; P287-T334 HydrophobicContact CG-CG2 3.9Å; A330-T334 WeakPolarHBondContact O-CB 3.22Å; A330-T334 VanDerWaalsContact O-CG2 3.26Å; A330-T334 WeakPolarHBondContact O-CG2 3.46Å; A330-T334 PolarHBondContact O-N 3.4Å; A330-T334 PolarHBondContact O-OG1 3.46Å; F331-T334 PolarHBondContact O-OG1 2.96Å; T334-L339 HydrophobicContact CG2-CB 3.68Å; T334-L339 HydrophobicContact CG2-CD1 4.05Å; T334-R340 PolarHBondContact O-NE 3.34Å; T334-R340 PolarHBondContact O-NH2 3.05Å; T334-R340 WeakPolarHBondContact OG1-CG 3.24Å
335E78.9Confident86.9Confident101 Ų10143.4 Ų43.447%0.47222%0.219SC..  trans-90.7-19.2161.4-75.5-171.4-179.800113.8R105 D337 R340R105-E335 IonicContact CZ-OE2 3.17Å; R105-E335 IonicContact NH1-OE1 2.7Å; R105-E335 PolarHBondContact NH1-OE1 2.84Å; R105-E335 IonicContact NH1-OE2 2.72Å; R105-E335 PolarHBondContact NH1-OE2 3.16Å; R105-E335 IonicContact NH2-OE2 3.6Å; E335-D337 PolarHBondContact O-N 2.78Å; E335-R340 PolarHBondContact O-NH1 3.29Å
336N83Confident87.3Confident99 Ų9939.9 Ų39.953%0.52920%0.197SC..  trans-81.3115-176.9-179.3-4.3000110.9G338 L339 R340N336-G338 VanDerWaalsContact C-N 3.26Å; N336-G338 PolarHBondContact O-N 3.33Å; N336-G338 PolarHBondContact OD1-N 3.39Å; N336-G338 VanDerWaalsContact OD1-N 3.15Å; N336-L339 HydrophobicContact CB-CB 4.4Å; N336-L339 HydrophobicContact CB-CD1 4.25Å; N336-L339 HydrophobicContact CB-CG 4.26Å; N336-L339 WeakPolarHBondContact O-CA 3.36Å; N336-L339 PolarHBondContact O-N 2.81Å; N336-R340 PolarHBondContact O-N 3.11Å
337D85.6Confident87.6Confident71 Ų7139.3 Ų39.338%0.3819%0.194SC..Hα-helixtrans-56.4-34.9-177.7-63.1-38.9000113.6E335 L339 R340 A341 F370E335-D337 PolarHBondContact O-N 2.78Å; D337-L339 VanDerWaalsContact C-N 3.3Å; D337-L339 PolarHBondContact O-N 3.33Å; D337-R340 PolarHBondContact O-N 3.1Å; D337-R340 WeakPolarHBondContact OD1-CD 3.5Å; D337-R340 IonicContact OD1-CZ 3.9Å; D337-R340 IonicContact OD1-NH1 2.7Å; D337-R340 PolarHBondContact OD1-NH1 3.15Å; D337-A341 WeakPolarHBondContact O-CB 3.47Å; D337-A341 PolarHBondContact O-N 3.46Å; D337-F370 HydrophobicContact CB-CB 4.1Å; D337-F370 HydrophobicContact CB-CD1 4.16Å; D337-F370 WeakPolarHBondContact O-CB 3.41Å; D337-F370 WeakPolarHBondContact OD1-CD1 3.5Å
338G86.7Confident87.9Confident17 Ų1739.3 Ų39.318%0.17519%0.194CC..Hα-helixtrans-65.8-29.9174.700000113.8N336 Q342N336-G338 VanDerWaalsContact C-N 3.26Å; N336-G338 PolarHBondContact O-N 3.33Å; N336-G338 PolarHBondContact OD1-N 3.39Å; N336-G338 VanDerWaalsContact OD1-N 3.15Å; G338-Q342 WeakPolarHBondContact O-CG 3.46Å
339L88Confident88.1Confident28 Ų2837.9 Ų37.915%0.14719%0.185CC..Hα-helixtrans-83.7-35.5173.8-62.4179.9000111.6P287 I288 I291 T334 N336 D337 A341 Q342 A343P287-L339 HydrophobicContact CG-CD1 4.28Å; I288-L339 HydrophobicContact CG1-CD1 4.13Å; I288-L339 HydrophobicContact CG1-CD2 4.06Å; I291-L339 HydrophobicContact CD1-CB 4.2Å; I291-L339 HydrophobicContact CD1-CD2 4.37Å; T334-L339 HydrophobicContact CG2-CB 3.68Å; T334-L339 HydrophobicContact CG2-CD1 4.05Å; N336-L339 HydrophobicContact CB-CB 4.4Å; N336-L339 HydrophobicContact CB-CD1 4.25Å; N336-L339 HydrophobicContact CB-CG 4.26Å; N336-L339 WeakPolarHBondContact O-CA 3.36Å; N336-L339 PolarHBondContact O-N 2.81Å; D337-L339 VanDerWaalsContact C-N 3.3Å; D337-L339 PolarHBondContact O-N 3.33Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 2.84Å; L339-Q342 PolarHBondContact O-N 3.47Å; L339-A343 WeakPolarHBondContact O-CB 3.15Å; L339-A343 PolarHBondContact O-N 2.98Å
340R90.3Very high88.2Confident68 Ų6835.2 Ų35.226%0.25717%0.174SC..Hα-helixtrans-58.3-44.5170.2-68.3173.1173.5159.8-9.9111.1F331 T334 E335 N336 D337 Q342 A343 C344 F370F331-R340 HydrophobicContact CD2-CB 4.29Å; F331-R340 HydrophobicContact CD2-CG 4.4Å; F331-R340 HydrophobicContact CE2-CB 4.38Å; F331-R340 HydrophobicContact CE2-CG 4.5Å; T334-R340 PolarHBondContact O-NE 3.34Å; T334-R340 PolarHBondContact O-NH2 3.05Å; T334-R340 WeakPolarHBondContact OG1-CG 3.24Å; E335-R340 PolarHBondContact O-NH1 3.29Å; N336-R340 PolarHBondContact O-N 3.11Å; D337-R340 PolarHBondContact O-N 3.1Å; D337-R340 WeakPolarHBondContact OD1-CD 3.5Å; D337-R340 IonicContact OD1-CZ 3.9Å; D337-R340 IonicContact OD1-NH1 2.7Å; D337-R340 PolarHBondContact OD1-NH1 3.15Å; R340-Q342 VanDerWaalsContact C-N 3.32Å; R340-Q342 PolarHBondContact O-N 2.9Å; R340-A343 PolarHBondContact O-N 3.36Å; R340-C344 WeakPolarHBondContact O-CB 3.29Å; R340-C344 PolarHBondContact O-N 3.03Å; R340-C344 PolarHBondContact O-SG 3.04Å; R340-F370 HydrophobicContact CB-CD1 4.31Å; R340-F370 HydrophobicContact CB-CD2 4.02Å; R340-F370 HydrophobicContact CB-CE1 4.41Å; R340-F370 HydrophobicContact CB-CE2 4.14Å; R340-F370 HydrophobicContact CB-CG 4.13Å; R340-F370 HydrophobicContact CB-CZ 4.34Å
341A92Very high88.3Confident0 Ų035.2 Ų35.20%017%0.174CC..Hα-helixtrans-55.3-46.917600000111.7D337 L339 F345 S367 F370 D371 Y375D337-A341 WeakPolarHBondContact O-CB 3.47Å; D337-A341 PolarHBondContact O-N 3.46Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 2.84Å; A341-F345 WeakPolarHBondContact O-CB 3.07Å; A341-F345 PolarHBondContact O-N 3.18Å; A341-S367 WeakPolarHBondContact O-CB 3.13Å; A341-S367 PolarHBondContact O-OG 2.83Å; A341-F370 HydrophobicContact CB-CB 3.96Å; A341-D371 HydrophobicContact CB-CB 4Å; A341-Y375 HydrophobicContact CB-CD1 4.01Å; A341-Y375 HydrophobicContact CB-CE1 4.46Å
342Q91.5Very high88.5Confident70 Ų7034.9 Ų34.933%0.32717%0.173SC..Hα-helixtrans-67.5-42178-67.8172.219.200112.3I291 G338 L339 R340 F345 Q346 Y375I291-Q342 HydrophobicContact CD1-CB 4.28Å; I291-Q342 HydrophobicContact CG2-CB 4.2Å; G338-Q342 WeakPolarHBondContact O-CG 3.46Å; L339-Q342 PolarHBondContact O-N 3.47Å; R340-Q342 VanDerWaalsContact C-N 3.32Å; R340-Q342 PolarHBondContact O-N 2.9Å; Q342-F345 PolarHBondContact O-N 2.73Å; Q342-Q346 WeakPolarHBondContact O-CG 3.24Å; Q342-Q346 PolarHBondContact O-N 2.92Å; Q342-Y375 HydrophobicContact CG-CE1 4.24Å; Q342-Y375 HydrophobicContact CG-CE2 4.2Å
343A91.5Very high88.4Confident0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-62.2-47.3175.600000111.9I291 A330 F331 L339 R340 F345 Q346 L347I291-A343 HydrophobicContact CD1-CB 4.28Å; I291-A343 HydrophobicContact CG1-CB 4.27Å; A330-A343 HydrophobicContact CB-CB 4.01Å; F331-A343 HydrophobicContact CB-CB 3.99Å; L339-A343 WeakPolarHBondContact O-CB 3.15Å; L339-A343 PolarHBondContact O-N 2.98Å; R340-A343 PolarHBondContact O-N 3.36Å; A343-F345 VanDerWaalsContact C-N 3.31Å; A343-F345 PolarHBondContact O-N 2.6Å; A343-Q346 PolarHBondContact O-N 2.81Å; A343-L347 VanDerWaalsContact O-CB 3.3Å; A343-L347 WeakPolarHBondContact O-CB 3.49Å; A343-L347 PolarHBondContact O-N 2.95Å
344C92.8Very high88.5Confident0 Ų034.1 Ų34.10%017%0.17CC..Hα-helixtrans-59.2-38.6173.1-69.10000112.4F331 R340 A348F331-C344 WeakPolarHBondContact CD2-SG 3.36Å; F331-C344 WeakPolarHBondContact CE2-SG 3.03Å; R340-C344 WeakPolarHBondContact O-CB 3.29Å; R340-C344 PolarHBondContact O-N 3.03Å; R340-C344 PolarHBondContact O-SG 3.04Å; C344-A348 WeakPolarHBondContact O-CB 3.13Å; C344-A348 PolarHBondContact O-N 3.08Å
345F93.7Very high88.6Confident17 Ų1736.2 Ų36.28%0.07519%0.193CC..Hα-helixtrans-67.8-43.9176.5172.2-93.4000112.6A341 Q342 A343 L347 A348 R349 Y364 Y375 L377 P378A341-F345 WeakPolarHBondContact O-CB 3.07Å; A341-F345 PolarHBondContact O-N 3.18Å; Q342-F345 PolarHBondContact O-N 2.73Å; A343-F345 VanDerWaalsContact C-N 3.31Å; A343-F345 PolarHBondContact O-N 2.6Å; F345-L347 VanDerWaalsContact C-N 3.34Å; F345-L347 PolarHBondContact O-N 3.45Å; F345-A348 PolarHBondContact O-N 2.79Å; F345-R349 WeakPolarHBondContact O-CB 3.18Å; F345-R349 PolarHBondContact O-N 3.09Å; F345-Y364 HydrophobicContact CD2-CD1 4.01Å; F345-Y364 AromaticContact CD2-CE1 3.78Å; F345-Y364 HydrophobicContact CD2-CE1 3.78Å; F345-Y364 HydrophobicContact CE2-CD1 4.46Å; F345-Y364 AromaticContact CE2-CE1 3.88Å; F345-Y364 HydrophobicContact CE2-CE1 3.88Å; F345-Y375 HydrophobicContact CB-CE1 3.72Å; F345-Y375 WeakPolarHBondContact CD1-OH 3.34Å; F345-Y375 HydrophobicContact CG-CE1 4.11Å; F345-Y375 WeakPolarHBondContact CG-OH 3.38Å; F345-L377 HydrophobicContact CD2-CB 4.14Å; F345-L377 HydrophobicContact CE1-CB 4.41Å; F345-L377 HydrophobicContact CE1-CD1 4.24Å; F345-L377 HydrophobicContact CE2-CB 3.59Å; F345-L377 HydrophobicContact CZ-CB 3.74Å; F345-L377 HydrophobicContact CZ-CD1 4.19Å; F345-P378 HydrophobicContact CB-CG 4.45Å; F345-P378 HydrophobicContact CD2-CB 4.41Å; F345-P378 HydrophobicContact CD2-CG 4.04Å
346Q91.1Very high89.1Confident11 Ų1134.8 Ų34.85%0.05119%0.186CC..Hα-helixtrans-61.9-43.9176.4-71.6-63.1-16.700111.5I291 D295 A327 Q342 A343 R349 A350I291-Q346 HydrophobicContact CG2-CG 4.35Å; D295-Q346 PolarHBondContact OD1-NE2 2.93Å; A327-Q346 HydrophobicContact CB-CB 4.1Å; Q342-Q346 WeakPolarHBondContact O-CG 3.24Å; Q342-Q346 PolarHBondContact O-N 2.92Å; A343-Q346 PolarHBondContact O-N 2.81Å; Q346-R349 PolarHBondContact O-N 2.91Å; Q346-A350 PolarHBondContact O-N 3.41Å
347L90.2Very high89.4Confident2 Ų232 Ų321%0.0117%0.171CC..Hα-helixtrans-60.7-48.5174.1179.758.2000111.9K324 A327 M328 A343 F345 R349 A350 L351 F363K324-L347 HydrophobicContact CG-CD1 3.78Å; A327-L347 HydrophobicContact CB-CB 3.95Å; M328-L347 HydrophobicContact CG-CD1 3.95Å; M328-L347 HydrophobicContact CG-CD2 4.06Å; M328-L347 HydrophobicContact SD-CD1 4.26Å; M328-L347 HydrophobicContact SD-CD2 3.39Å; M328-L347 WeakPolarHBondContact SD-CD2 3.38Å; M328-L347 HydrophobicContact SD-CG 4.48Å; A343-L347 VanDerWaalsContact O-CB 3.3Å; A343-L347 WeakPolarHBondContact O-CB 3.49Å; A343-L347 PolarHBondContact O-N 2.95Å; F345-L347 VanDerWaalsContact C-N 3.34Å; F345-L347 PolarHBondContact O-N 3.45Å; L347-R349 VanDerWaalsContact C-N 3.31Å; L347-R349 PolarHBondContact O-N 2.93Å; L347-A350 PolarHBondContact O-N 2.91Å; L347-L351 HydrophobicContact CD1-CD1 4.04Å; L347-L351 HydrophobicContact CD1-CG 4.38Å; L347-L351 HydrophobicContact CG-CD1 3.91Å; L347-L351 WeakPolarHBondContact O-CB 3.46Å; L347-L351 WeakPolarHBondContact O-CD1 3.31Å; L347-L351 VanDerWaalsContact O-CG 3.25Å; L347-L351 WeakPolarHBondContact O-CG 3.41Å; L347-L351 PolarHBondContact O-N 3.31Å; L347-F363 HydrophobicContact CD2-CD1 3.62Å; L347-F363 HydrophobicContact CD2-CD2 3.95Å; L347-F363 HydrophobicContact CD2-CE1 3.5Å; L347-F363 HydrophobicContact CD2-CE2 3.84Å; L347-F363 HydrophobicContact CD2-CG 3.85Å; L347-F363 HydrophobicContact CD2-CZ 3.61Å; L347-F363 HydrophobicContact CG-CD1 4.4Å; L347-F363 HydrophobicContact CG-CD2 4.06Å; L347-F363 HydrophobicContact CG-CE2 4.24Å; L347-F363 HydrophobicContact CG-CG 4.14Å; L347-F363 HydrophobicContact CG-CZ 4.5Å
348A92.7Very high89.7Confident0 Ų034.5 Ų34.50%018%0.183CC..Hα-helixtrans-60.1-40176.500000112.4C344 F345 L351 H352 F363 Y364C344-A348 WeakPolarHBondContact O-CB 3.13Å; C344-A348 PolarHBondContact O-N 3.08Å; F345-A348 PolarHBondContact O-N 2.79Å; A348-L351 PolarHBondContact O-N 3.44Å; A348-H352 VanDerWaalsContact O-CB 3.24Å; A348-H352 WeakPolarHBondContact O-CB 3.3Å; A348-H352 PolarHBondContact O-N 2.94Å; A348-F363 HydrophobicContact CB-CB 3.75Å; A348-Y364 HydrophobicContact CB-CD1 3.35Å; A348-Y364 HydrophobicContact CB-CD2 3.88Å; A348-Y364 HydrophobicContact CB-CE1 3.48Å; A348-Y364 VanDerWaalsContact CB-CE1 3.48Å; A348-Y364 HydrophobicContact CB-CE2 4Å; A348-Y364 HydrophobicContact CB-CG 3.55Å
349R90.8Very high89.9Confident36 Ų3637.2 Ų37.214%0.13619%0.191CC..Hα-helixtrans-66.6-39.5177.2-166.1178.966.1173.20.1112D295 F298 F345 Q346 L347 D353D295-R349 IonicContact OD1-CZ 2.81Å; D295-R349 IonicContact OD1-NH1 2.72Å; D295-R349 PolarHBondContact OD1-NH1 2.94Å; D295-R349 IonicContact OD1-NH2 3.11Å; D295-R349 PolarHBondContact OD1-NH2 3.4Å; F298-R349 VanDerWaalsContact CD1-NE 3.35Å; F298-R349 VanDerWaalsContact CD1-NH2 3.33Å; F298-R349 HydrophobicContact CD2-CG 4.39Å; F298-R349 HydrophobicContact CE1-CG 4.1Å; F298-R349 HydrophobicContact CE2-CG 3.8Å; F298-R349 HydrophobicContact CZ-CG 3.64Å; F345-R349 WeakPolarHBondContact O-CB 3.18Å; F345-R349 PolarHBondContact O-N 3.09Å; Q346-R349 PolarHBondContact O-N 2.91Å; L347-R349 VanDerWaalsContact C-N 3.31Å; L347-R349 PolarHBondContact O-N 2.93Å; R349-D353 WeakPolarHBondContact O-CB 3.48Å; R349-D353 PolarHBondContact O-N 3.07Å; R349-D353 VanDerWaalsContact O-N 3.15Å
350A87.1Confident90.2Very high8 Ų835.9 Ų35.97%0.06618%0.184CC..Hα-helixtrans-65.1-42.9172.800000112.2C323 Q346 L347 D353 Q354C323-A350 HydrophobicContact CB-CB 4.49Å; Q346-A350 PolarHBondContact O-N 3.41Å; L347-A350 PolarHBondContact O-N 2.91Å; A350-D353 PolarHBondContact O-N 2.91Å; A350-Q354 WeakPolarHBondContact O-CG 3.11Å; A350-Q354 PolarHBondContact O-N 2.85Å
351L89.5Confident90.3Very high0 Ų035.3 Ų35.30%018%0.183CC..Hα-helixtrans-66.3-37.1177.1-71.1164.1000112.7K324 L347 A348 Q354 G355 E356 Q359 A360 F363K324-L351 HydrophobicContact CD-CD2 4.44Å; L347-L351 HydrophobicContact CD1-CD1 4.04Å; L347-L351 HydrophobicContact CD1-CG 4.38Å; L347-L351 HydrophobicContact CG-CD1 3.91Å; L347-L351 WeakPolarHBondContact O-CB 3.46Å; L347-L351 WeakPolarHBondContact O-CD1 3.31Å; L347-L351 VanDerWaalsContact O-CG 3.25Å; L347-L351 WeakPolarHBondContact O-CG 3.41Å; L347-L351 PolarHBondContact O-N 3.31Å; A348-L351 PolarHBondContact O-N 3.44Å; L351-Q354 CarbonylContact O-C 3.39Å; L351-Q354 PolarHBondContact O-N 2.81Å; L351-G355 PolarHBondContact O-N 3.44Å; L351-G355 VanDerWaalsContact O-N 3.08Å; L351-E356 HydrophobicContact CB-CB 4.39Å; L351-E356 HydrophobicContact CD2-CB 4.06Å; L351-E356 HydrophobicContact CD2-CG 4.46Å; L351-E356 WeakPolarHBondContact CD2-OE2 3.37Å; L351-E356 PolarHBondContact O-N 3.23Å; L351-Q359 HydrophobicContact CD1-CB 3.9Å; L351-Q359 HydrophobicContact CD2-CB 4.22Å; L351-A360 HydrophobicContact CB-CB 3.9Å; L351-F363 HydrophobicContact CD1-CD2 3.35Å; L351-F363 HydrophobicContact CD1-CE2 3.71Å; L351-F363 HydrophobicContact CD1-CG 4.4Å
352H90.5Very high90.4Very high37 Ų3740 Ų4017%0.17121%0.205CC..Hα-helixtrans-64.7-42.9176.1-169.1-178.4000111.1A348 Q354 G355 A360 Y364 Q384A348-H352 VanDerWaalsContact O-CB 3.24Å; A348-H352 WeakPolarHBondContact O-CB 3.3Å; A348-H352 PolarHBondContact O-N 2.94Å; H352-Q354 VanDerWaalsContact C-N 3.27Å; H352-Q354 PolarHBondContact O-N 3.21Å; H352-G355 PolarHBondContact O-N 2.88Å; H352-A360 HydrophobicContact CB-CB 4.07Å; H352-Y364 HydrophobicContact CB-CE2 4.3Å; H352-Y364 AromaticContact ND1-CE2 3.81Å; H352-Y364 AromaticContact ND1-CZ 3.93Å; H352-Y364 PolarHBondContact ND1-OH 2.89Å; H352-Y364 VanDerWaalsContact ND1-OH 3.15Å; H352-Q384 PolarHBondContact CE1-OE1 3.47Å
353D85.1Confident90.4Very high75 Ų7538.2 Ų38.240%0.40120%0.196SC..Hα-helixtrans-71.5-16.1173.3178.567.3000113.6F298 K301 R349 A350F298-D353 HydrophobicContact CE2-CB 3.83Å; F298-D353 HydrophobicContact CZ-CB 4.33Å; K301-D353 WeakPolarHBondContact CD-OD2 3.36Å; K301-D353 WeakPolarHBondContact CE-OD2 3.39Å; K301-D353 IonicContact NZ-OD1 3.68Å; K301-D353 IonicContact NZ-OD2 3.47Å; K301-D353 PolarHBondContact NZ-OD2 3.34Å; R349-D353 WeakPolarHBondContact O-CB 3.48Å; R349-D353 PolarHBondContact O-N 3.07Å; R349-D353 VanDerWaalsContact O-N 3.15Å; A350-D353 PolarHBondContact O-N 2.91Å
354Q84.9Confident90.6Very high69 Ų6938.4 Ų38.432%0.32220%0.196SC..THydrogen-bonded Turntrans-87.1-8.3165.4-73.6-179.1-33.400113.3E321 A350 L351 H352 E356E321-Q354 PolarHBondContact OE1-NE2 2.99Å; A350-Q354 WeakPolarHBondContact O-CG 3.11Å; A350-Q354 PolarHBondContact O-N 2.85Å; L351-Q354 CarbonylContact O-C 3.39Å; L351-Q354 PolarHBondContact O-N 2.81Å; H352-Q354 VanDerWaalsContact C-N 3.27Å; H352-Q354 PolarHBondContact O-N 3.21Å; Q354-E356 VanDerWaalsContact C-N 3.34Å; Q354-E356 HydrophobicContact CB-CG 4.31Å
355G85.5Confident90.6Very high52 Ų5243.6 Ų43.654%0.53622%0.217SC..THydrogen-bonded Turntrans79.16.2-174.500000115.3L351 H352 L357L351-G355 PolarHBondContact O-N 3.44Å; L351-G355 VanDerWaalsContact O-N 3.08Å; H352-G355 PolarHBondContact O-N 2.88Å; G355-L357 PolarHBondContact O-N 3.44Å
356E89.6Confident90.5Very high71 Ų7145.9 Ų45.933%0.33223%0.228SC..  trans-78.757179.9-61.1-160.8134.200112K324 L351 Q354 I358 Q359 A360K324-E356 IonicContact NZ-OE2 3.08Å; K324-E356 PolarHBondContact NZ-OE2 2.83Å; L351-E356 HydrophobicContact CB-CB 4.39Å; L351-E356 HydrophobicContact CD2-CB 4.06Å; L351-E356 HydrophobicContact CD2-CG 4.46Å; L351-E356 WeakPolarHBondContact CD2-OE2 3.37Å; L351-E356 PolarHBondContact O-N 3.23Å; Q354-E356 VanDerWaalsContact C-N 3.34Å; Q354-E356 HydrophobicContact CB-CG 4.31Å; E356-I358 PolarHBondContact O-N 3.22Å; E356-Q359 HydrophobicContact CB-CB 4.48Å; E356-Q359 VanDerWaalsContact CD-NE2 3.27Å; E356-Q359 PolarHBondContact O-N 2.97Å; E356-Q359 PolarHBondContact OE1-NE2 2.82Å; E356-Q359 PolarHBondContact OE2-NE2 2.94Å; E356-A360 PolarHBondContact O-N 2.87Å
357L89.4Confident90.5Very high39 Ų3945.3 Ų45.320%0.20423%0.225CC..Hα-helixtrans-56.2-20.8-170.8-57.5-177.5000115.5G355 Y361 V385 M388 R389G355-L357 PolarHBondContact O-N 3.44Å; L357-Y361 VanDerWaalsContact O-CB 3.28Å; L357-Y361 WeakPolarHBondContact O-CB 3.29Å; L357-Y361 PolarHBondContact O-N 2.98Å; L357-V385 HydrophobicContact CB-CG1 4.42Å; L357-M388 HydrophobicContact CD1-CB 3.94Å; L357-M388 HydrophobicContact CD1-CE 3.83Å; L357-M388 HydrophobicContact CD1-SD 3.94Å; L357-M388 HydrophobicContact CD2-CE 4.21Å; L357-M388 HydrophobicContact CD2-SD 3.72Å; L357-R389 PolarHBondContact O-NH2 3.15Å; L357-R389 VanDerWaalsContact O-NH2 3.08Å
358I91.5Very high90.5Very high125 Ų12545.7 Ų45.764%0.64123%0.227SC*.Hα-helixtrans-76.7-47.1176.2-59.8177.7000110.3E356 Q362E356-I358 PolarHBondContact O-N 3.22Å; I358-Q362 WeakPolarHBondContact O-CG 3.43Å; I358-Q362 PolarHBondContact O-N 3.27Å
359Q91.3Very high90.3Very high73 Ų7349.7 Ų49.734%0.34125%0.248SC..Hα-helixtrans-71.7-43.5177.2-62.3-179.153.800110.8L351 E356 Y361 Q362 F363L351-Q359 HydrophobicContact CD1-CB 3.9Å; L351-Q359 HydrophobicContact CD2-CB 4.22Å; E356-Q359 HydrophobicContact CB-CB 4.48Å; E356-Q359 VanDerWaalsContact CD-NE2 3.27Å; E356-Q359 PolarHBondContact O-N 2.97Å; E356-Q359 PolarHBondContact OE1-NE2 2.82Å; E356-Q359 PolarHBondContact OE2-NE2 2.94Å; Q359-Y361 VanDerWaalsContact C-N 3.28Å; Q359-Y361 PolarHBondContact O-N 3.28Å; Q359-Q362 WeakPolarHBondContact O-CB 3.39Å; Q359-Q362 PolarHBondContact O-N 3.18Å; Q359-F363 HydrophobicContact CB-CE2 4.47Å; Q359-F363 VanDerWaalsContact O-CD2 3.25Å; Q359-F363 WeakPolarHBondContact O-CD2 3.3Å; Q359-F363 PolarHBondContact O-N 3.49Å
360A92.5Very high90Very high0 Ų051.1 Ų51.10%026%0.256CS..Hα-helixtrans-54.3-44.9176.400000111.8L351 H352 E356 Q362 F363 Y364L351-A360 HydrophobicContact CB-CB 3.9Å; H352-A360 HydrophobicContact CB-CB 4.07Å; E356-A360 PolarHBondContact O-N 2.87Å; A360-Q362 PolarHBondContact O-N 2.67Å; A360-F363 PolarHBondContact O-N 2.99Å; A360-Y364 HydrophobicContact CB-CD2 4.44Å; A360-Y364 HydrophobicContact CB-CE2 4.26Å; A360-Y364 WeakPolarHBondContact O-CB 3.48Å; A360-Y364 WeakPolarHBondContact O-CD2 3.36Å; A360-Y364 PolarHBondContact O-N 2.7Å
361Y93.1Very high89.5Confident56 Ų5652.2 Ų52.222%0.2226%0.26CS..Hα-helixtrans-57.7-45.9172.8172.4-96.8000113.4L357 Q359 F363 Y364 Y365 L382 V385 Y386 R389L357-Y361 VanDerWaalsContact O-CB 3.28Å; L357-Y361 WeakPolarHBondContact O-CB 3.29Å; L357-Y361 PolarHBondContact O-N 2.98Å; Q359-Y361 VanDerWaalsContact C-N 3.28Å; Q359-Y361 PolarHBondContact O-N 3.28Å; Y361-F363 PolarHBondContact O-N 2.96Å; Y361-Y364 PolarHBondContact O-N 3.09Å; Y361-Y365 VanDerWaalsContact O-CB 3.23Å; Y361-Y365 WeakPolarHBondContact O-CB 3.41Å; Y361-Y365 PolarHBondContact O-N 2.62Å; Y361-L382 HydrophobicContact CD2-CD2 3.79Å; Y361-L382 HydrophobicContact CE2-CD2 3.96Å; Y361-V385 HydrophobicContact CD2-CG1 4.49Å; Y361-Y386 AromaticContact CE2-CE1 3.74Å; Y361-Y386 HydrophobicContact CE2-CE1 3.74Å; Y361-Y386 AromaticContact CE2-CZ 3.74Å; Y361-Y386 PolarHBondContact OH-OH 3.34Å; Y361-R389 VanDerWaalsContact CG-NH2 3.27Å
362Q93.4Very high88.4Confident99 Ų9958.6 Ų58.646%0.46329%0.288SS..Hα-helixtrans-61.3-44.8-179.9-71.4171.7-8.600111.1I358 Q359 A360 Y365 Q366I358-Q362 WeakPolarHBondContact O-CG 3.43Å; I358-Q362 PolarHBondContact O-N 3.27Å; Q359-Q362 WeakPolarHBondContact O-CB 3.39Å; Q359-Q362 PolarHBondContact O-N 3.18Å; A360-Q362 PolarHBondContact O-N 2.67Å; Q362-Y365 PolarHBondContact O-N 2.74Å; Q362-Q366 WeakPolarHBondContact O-CB 3.29Å; Q362-Q366 VanDerWaalsContact O-CG 3.27Å; Q362-Q366 WeakPolarHBondContact O-CG 3.23Å; Q362-Q366 PolarHBondContact O-N 3.42Å
363F93.3Very high87.4Confident32 Ų3261 Ų6114%0.1431%0.308CS..Hα-helixtrans-74.4-36.3179.8-70-66.1000113.4L347 A348 L351 Q359 A360 Y361 Y365 S367L347-F363 HydrophobicContact CD2-CD1 3.62Å; L347-F363 HydrophobicContact CD2-CD2 3.95Å; L347-F363 HydrophobicContact CD2-CE1 3.5Å; L347-F363 HydrophobicContact CD2-CE2 3.84Å; L347-F363 HydrophobicContact CD2-CG 3.85Å; L347-F363 HydrophobicContact CD2-CZ 3.61Å; L347-F363 HydrophobicContact CG-CD1 4.4Å; L347-F363 HydrophobicContact CG-CD2 4.06Å; L347-F363 HydrophobicContact CG-CE2 4.24Å; L347-F363 HydrophobicContact CG-CG 4.14Å; L347-F363 HydrophobicContact CG-CZ 4.5Å; A348-F363 HydrophobicContact CB-CB 3.75Å; L351-F363 HydrophobicContact CD1-CD2 3.35Å; L351-F363 HydrophobicContact CD1-CE2 3.71Å; L351-F363 HydrophobicContact CD1-CG 4.4Å; Q359-F363 HydrophobicContact CB-CE2 4.47Å; Q359-F363 VanDerWaalsContact O-CD2 3.25Å; Q359-F363 WeakPolarHBondContact O-CD2 3.3Å; Q359-F363 PolarHBondContact O-N 3.49Å; A360-F363 PolarHBondContact O-N 2.99Å; Y361-F363 PolarHBondContact O-N 2.96Å; F363-Y365 VanDerWaalsContact C-N 3.34Å; F363-S367 WeakPolarHBondContact O-CB 3.44Å; F363-S367 PolarHBondContact O-N 2.82Å
364Y94.2Very high86.9Confident4 Ų463.3 Ų63.32%0.01632%0.32CS..Hα-helixtrans-61.5-42.9169.1-73.7-51.1000111.2F345 A348 H352 A360 Y361 S367 T368 V385F345-Y364 HydrophobicContact CD2-CD1 4.01Å; F345-Y364 AromaticContact CD2-CE1 3.78Å; F345-Y364 HydrophobicContact CD2-CE1 3.78Å; F345-Y364 HydrophobicContact CE2-CD1 4.46Å; F345-Y364 AromaticContact CE2-CE1 3.88Å; F345-Y364 HydrophobicContact CE2-CE1 3.88Å; A348-Y364 HydrophobicContact CB-CD1 3.35Å; A348-Y364 HydrophobicContact CB-CD2 3.88Å; A348-Y364 HydrophobicContact CB-CE1 3.48Å; A348-Y364 VanDerWaalsContact CB-CE1 3.48Å; A348-Y364 HydrophobicContact CB-CE2 4Å; A348-Y364 HydrophobicContact CB-CG 3.55Å; H352-Y364 HydrophobicContact CB-CE2 4.3Å; H352-Y364 AromaticContact ND1-CE2 3.81Å; H352-Y364 AromaticContact ND1-CZ 3.93Å; H352-Y364 PolarHBondContact ND1-OH 2.89Å; H352-Y364 VanDerWaalsContact ND1-OH 3.15Å; A360-Y364 HydrophobicContact CB-CD2 4.44Å; A360-Y364 HydrophobicContact CB-CE2 4.26Å; A360-Y364 WeakPolarHBondContact O-CB 3.48Å; A360-Y364 WeakPolarHBondContact O-CD2 3.36Å; A360-Y364 PolarHBondContact O-N 2.7Å; Y361-Y364 PolarHBondContact O-N 3.09Å; Y364-S367 WeakPolarHBondContact O-CB 3.11Å; Y364-S367 PolarHBondContact O-N 3.39Å; Y364-T368 PolarHBondContact O-N 3.14Å; Y364-T368 VanDerWaalsContact O-N 3.16Å; Y364-V385 HydrophobicContact CD2-CG2 4.17Å; Y364-V385 HydrophobicContact CE2-CG2 4Å
365Y92.3Very high86.9Confident109 Ų10961.7 Ų61.743%0.42731%0.311SS..Hα-helixtrans-64.7-47.3178.1-175.1-104.8000111.6Y361 Q362 F363 S367 T368 L369Y361-Y365 VanDerWaalsContact O-CB 3.23Å; Y361-Y365 WeakPolarHBondContact O-CB 3.41Å; Y361-Y365 PolarHBondContact O-N 2.62Å; Q362-Y365 PolarHBondContact O-N 2.74Å; F363-Y365 VanDerWaalsContact C-N 3.34Å; Y365-S367 VanDerWaalsContact C-N 3.29Å; Y365-S367 PolarHBondContact O-N 3.23Å; Y365-T368 PolarHBondContact O-N 2.88Å; Y365-T368 VanDerWaalsContact O-N 3.09Å; Y365-T368 PolarHBondContact O-OG1 3.36Å; Y365-L369 HydrophobicContact CD1-CD1 4.12Å; Y365-L369 HydrophobicContact CD1-CG 4.47Å; Y365-L369 HydrophobicContact CE1-CD1 3.84Å; Y365-L369 HydrophobicContact CE1-CD2 4.33Å; Y365-L369 HydrophobicContact CE1-CG 4.23Å; Y365-L369 PolarHBondContact O-N 2.73Å
366Q91.8Very high87Confident65 Ų6560 Ų6030%0.30429%0.29SS..Hα-helixtrans-55.2-43.3172.4-75.8172.93.800112Q362 T368 L369 F370Q362-Q366 WeakPolarHBondContact O-CB 3.29Å; Q362-Q366 VanDerWaalsContact O-CG 3.27Å; Q362-Q366 WeakPolarHBondContact O-CG 3.23Å; Q362-Q366 PolarHBondContact O-N 3.42Å; Q366-T368 VanDerWaalsContact C-N 3.3Å; Q366-T368 PolarHBondContact O-N 2.86Å; Q366-L369 WeakPolarHBondContact O-CB 3.47Å; Q366-L369 PolarHBondContact O-N 2.75Å; Q366-F370 HydrophobicContact CB-CE2 4.15Å; Q366-F370 WeakPolarHBondContact O-CD2 3.29Å; Q366-F370 PolarHBondContact O-N 3.17Å
367S91.9Very high87.1Confident0 Ų060.3 Ų60.30%029%0.294CS..Hα-helixtrans-56.2-42.1175.7-172.10000112.3A341 F363 Y364 Y365 L369 F370 P378A341-S367 WeakPolarHBondContact O-CB 3.13Å; A341-S367 PolarHBondContact O-OG 2.83Å; F363-S367 WeakPolarHBondContact O-CB 3.44Å; F363-S367 PolarHBondContact O-N 2.82Å; Y364-S367 WeakPolarHBondContact O-CB 3.11Å; Y364-S367 PolarHBondContact O-N 3.39Å; Y365-S367 VanDerWaalsContact C-N 3.29Å; Y365-S367 PolarHBondContact O-N 3.23Å; S367-L369 VanDerWaalsContact C-N 3.27Å; S367-L369 PolarHBondContact O-N 2.77Å; S367-F370 PolarHBondContact O-N 3.06Å; S367-P378 WeakPolarHBondContact OG-CG 3.1Å
368T90.1Very high87.2Confident9 Ų958.5 Ų58.56%0.05528%0.284CS..Hα-helixtrans-70.6-15.2173.769.10000114.9Y364 Y365 Q366 K372 P378 Y379 L382Y364-T368 PolarHBondContact O-N 3.14Å; Y364-T368 VanDerWaalsContact O-N 3.16Å; Y365-T368 PolarHBondContact O-N 2.88Å; Y365-T368 VanDerWaalsContact O-N 3.09Å; Y365-T368 PolarHBondContact O-OG1 3.36Å; Q366-T368 VanDerWaalsContact C-N 3.3Å; Q366-T368 PolarHBondContact O-N 2.86Å; T368-K372 WeakPolarHBondContact O-CG 3.27Å; T368-P378 HydrophobicContact CG2-CB 3.7Å; T368-Y379 HydrophobicContact CG2-CD1 3.81Å; T368-Y379 HydrophobicContact CG2-CE1 3.47Å; T368-Y379 VanDerWaalsContact CG2-CE1 3.47Å; T368-Y379 HydrophobicContact CG2-CE2 4.36Å; T368-Y379 HydrophobicContact CG2-CG 4.35Å; T368-L382 HydrophobicContact CG2-CD1 3.86Å
369L89.4Confident87.3Confident84 Ų8454.3 Ų54.344%0.4426%0.26SS..Hα-helixtrans-81.4-34.9175.5-66.4177.7000111.9Y365 Q366 S367Y365-L369 HydrophobicContact CD1-CD1 4.12Å; Y365-L369 HydrophobicContact CD1-CG 4.47Å; Y365-L369 HydrophobicContact CE1-CD1 3.84Å; Y365-L369 HydrophobicContact CE1-CD2 4.33Å; Y365-L369 HydrophobicContact CE1-CG 4.23Å; Y365-L369 PolarHBondContact O-N 2.73Å; Q366-L369 WeakPolarHBondContact O-CB 3.47Å; Q366-L369 PolarHBondContact O-N 2.75Å; S367-L369 VanDerWaalsContact C-N 3.27Å; S367-L369 PolarHBondContact O-N 2.77Å
370F84Confident87.4Confident66 Ų6653.6 Ų53.629%0.28926%0.255SS..Hα-helixtrans-75.4-51.6-175.4-69.1-61.4000113.8F331 D337 R340 A341 Q366 S367F331-F370 AromaticContact CE2-CE2 3.95Å; F331-F370 HydrophobicContact CE2-CE2 3.95Å; F331-F370 AromaticContact CE2-CZ 4Å; F331-F370 HydrophobicContact CE2-CZ 4Å; D337-F370 HydrophobicContact CB-CB 4.1Å; D337-F370 HydrophobicContact CB-CD1 4.16Å; D337-F370 WeakPolarHBondContact O-CB 3.41Å; D337-F370 WeakPolarHBondContact OD1-CD1 3.5Å; R340-F370 HydrophobicContact CB-CD1 4.31Å; R340-F370 HydrophobicContact CB-CD2 4.02Å; R340-F370 HydrophobicContact CB-CE1 4.41Å; R340-F370 HydrophobicContact CB-CE2 4.14Å; R340-F370 HydrophobicContact CB-CG 4.13Å; R340-F370 HydrophobicContact CB-CZ 4.34Å; A341-F370 HydrophobicContact CB-CB 3.96Å; Q366-F370 HydrophobicContact CB-CE2 4.15Å; Q366-F370 WeakPolarHBondContact O-CD2 3.29Å; Q366-F370 PolarHBondContact O-N 3.17Å; S367-F370 PolarHBondContact O-N 3.06Å
371D75.2Confident87.3Confident31 Ų3153.7 Ų53.717%0.16626%0.256CS..  trans-126.876.8-179.1-169.2-1.9000112A341 P373 N374A341-D371 HydrophobicContact CB-CB 4Å; D371-P373 WeakPolarHBondContact OD1-CD 3.48Å; D371-N374 PolarHBondContact OD1-N 3.06Å; D371-N374 PolarHBondContact OD1-ND2 3.17Å
372K67.3Low87.3Confident134 Ų13451.2 Ų51.258%0.58325%0.246SC*.THydrogen-bonded Turntrans-60.3-44-176.4-72.3171.5-175.3175.50115.8T368T368-K372 WeakPolarHBondContact O-CG 3.27Å
373P69.6Low87.3Confident89 Ų8946.5 Ų46.558%0.57822%0.224SC*.THydrogen-bonded Turntrans-87.4-27.1-171.431.8-34000114.3D371D371-P373 WeakPolarHBondContact OD1-CD 3.48Å
374N74.5Confident87.3Confident123 Ų12348.4 Ų48.466%0.65823%0.234SC*.THydrogen-bonded Turntrans-105-21.2-168.6-50.5-66.3000114.5D371D371-N374 PolarHBondContact OD1-N 3.06Å; D371-N374 PolarHBondContact OD1-ND2 3.17Å
375Y84.6Confident87.2Confident34 Ų3448.2 Ų48.213%0.13323%0.233CC..  trans-112.197.9-166.4-161-133.6000112.9A341 Q342 F345 L377 P378A341-Y375 HydrophobicContact CB-CD1 4.01Å; A341-Y375 HydrophobicContact CB-CE1 4.46Å; Q342-Y375 HydrophobicContact CG-CE1 4.24Å; Q342-Y375 HydrophobicContact CG-CE2 4.2Å; F345-Y375 HydrophobicContact CB-CE1 3.72Å; F345-Y375 WeakPolarHBondContact CD1-OH 3.34Å; F345-Y375 HydrophobicContact CG-CE1 4.11Å; F345-Y375 WeakPolarHBondContact CG-OH 3.38Å; Y375-L377 HydrophobicContact CE2-CB 4.42Å; Y375-L377 HydrophobicContact CE2-CD1 4.08Å; Y375-L377 HydrophobicContact CE2-CG 4.41Å; Y375-P378 HydrophobicContact CD1-CG 3.39Å; Y375-P378 HydrophobicContact CE1-CG 3.52Å; Y375-P378 HydrophobicContact CG-CG 4.29Å; Y375-P378 WeakPolarHBondContact O-CD 3.3Å
376V88.7Confident87.3Confident17 Ų1744 Ų4410%0.10322%0.217CC..  trans-83.3-35.8-169.7-172.60000113.3P378 Y379 V402 Q405V376-P378 VanDerWaalsContact C-N 3.35Å; V376-Y379 WeakPolarHBondContact O-CB 3.37Å; V376-Y379 PolarHBondContact O-N 2.91Å; V376-V402 HydrophobicContact CG1-CB 4.11Å; V376-V402 HydrophobicContact CG1-CG1 4.01Å; V376-V402 HydrophobicContact CG1-CG2 4.02Å; V376-Q405 HydrophobicContact CG1-CB 4.24Å; V376-Q405 HydrophobicContact CG2-CB 3.55Å; V376-Q405 HydrophobicContact CG2-CG 3.99Å
377L90.1Very high87.4Confident78 Ų7843.8 Ų43.841%0.40822%0.217SC..Hα-helixtrans-53.9-35.3-172.7-59.7177.2000115.6F345 Y375 Y379 Y380 G381F345-L377 HydrophobicContact CD2-CB 4.14Å; F345-L377 HydrophobicContact CE1-CB 4.41Å; F345-L377 HydrophobicContact CE1-CD1 4.24Å; F345-L377 HydrophobicContact CE2-CB 3.59Å; F345-L377 HydrophobicContact CZ-CB 3.74Å; F345-L377 HydrophobicContact CZ-CD1 4.19Å; Y375-L377 HydrophobicContact CE2-CB 4.42Å; Y375-L377 HydrophobicContact CE2-CD1 4.08Å; Y375-L377 HydrophobicContact CE2-CG 4.41Å; L377-Y379 VanDerWaalsContact C-N 3.27Å; L377-Y379 PolarHBondContact O-N 3.31Å; L377-Y380 WeakPolarHBondContact O-CB 3.43Å; L377-Y380 PolarHBondContact O-N 3.21Å; L377-G381 PolarHBondContact O-N 3.43Å
378P92.6Very high87.2Confident0 Ų049.4 Ų49.40%024%0.244CC..Hα-helixtrans-64-28.4175.8-21.834000113.9F345 S367 T368 Y375 V376 G381 L382F345-P378 HydrophobicContact CB-CG 4.45Å; F345-P378 HydrophobicContact CD2-CB 4.41Å; F345-P378 HydrophobicContact CD2-CG 4.04Å; S367-P378 WeakPolarHBondContact OG-CG 3.1Å; T368-P378 HydrophobicContact CG2-CB 3.7Å; Y375-P378 HydrophobicContact CD1-CG 3.39Å; Y375-P378 HydrophobicContact CE1-CG 3.52Å; Y375-P378 HydrophobicContact CG-CG 4.29Å; Y375-P378 WeakPolarHBondContact O-CD 3.3Å; V376-P378 VanDerWaalsContact C-N 3.35Å; P378-G381 PolarHBondContact O-N 2.94Å; P378-L382 WeakPolarHBondContact O-CG 3.5Å; P378-L382 PolarHBondContact O-N 3.34Å
379Y93Very high87.2Confident37 Ų3753.3 Ų53.315%0.14526%0.258CS..Hα-helixtrans-68.1-36.7174.3-67.7-60000111.6T368 V376 L377 L382 G383 C398 K401T368-Y379 HydrophobicContact CG2-CD1 3.81Å; T368-Y379 HydrophobicContact CG2-CE1 3.47Å; T368-Y379 VanDerWaalsContact CG2-CE1 3.47Å; T368-Y379 HydrophobicContact CG2-CE2 4.36Å; T368-Y379 HydrophobicContact CG2-CG 4.35Å; V376-Y379 WeakPolarHBondContact O-CB 3.37Å; V376-Y379 PolarHBondContact O-N 2.91Å; L377-Y379 VanDerWaalsContact C-N 3.27Å; L377-Y379 PolarHBondContact O-N 3.31Å; Y379-L382 HydrophobicContact CD1-CD1 4.35Å; Y379-L382 PolarHBondContact O-N 3.37Å; Y379-G383 PolarHBondContact O-N 3.46Å; Y379-C398 WeakPolarHBondContact O-CB 3.36Å; Y379-K401 HydrophobicContact CD1-CD 4.18Å; Y379-K401 HydrophobicContact CD2-CB 4.42Å; Y379-K401 HydrophobicContact CE1-CD 4.08Å; Y379-K401 HydrophobicContact CG-CB 4.44Å; Y379-K401 HydrophobicContact CG-CD 4.5Å
380Y93Very high87.1Confident59 Ų5951.9 Ų51.923%0.23126%0.264CS..Hα-helixtrans-61.4-45.2172.2-168.8-84.5000111.1L377 G383 Q384 F399 E411 A412L377-Y380 WeakPolarHBondContact O-CB 3.43Å; L377-Y380 PolarHBondContact O-N 3.21Å; Y380-G383 PolarHBondContact O-N 2.96Å; Y380-Q384 HydrophobicContact CD1-CG 4.32Å; Y380-Q384 HydrophobicContact CE1-CG 4.13Å; Y380-Q384 PolarHBondContact O-N 3.45Å; Y380-F399 HydrophobicContact CD2-CD1 4.12Å; Y380-F399 AromaticContact CD2-CE1 3.63Å; Y380-F399 HydrophobicContact CD2-CE1 3.63Å; Y380-F399 HydrophobicContact CE2-CD1 4.42Å; Y380-F399 AromaticContact CE2-CE1 3.8Å; Y380-F399 HydrophobicContact CE2-CE1 3.8Å; Y380-F399 HydrophobicContact CG-CE1 4.08Å; Y380-E411 HydrophobicContact CE2-CB 4.14Å; Y380-A412 HydrophobicContact CD2-CB 4.42Å; Y380-A412 HydrophobicContact CE2-CB 4.37Å
381G91.9Very high87.5Confident1 Ų151.5 Ų51.51%0.0126%0.263CS..Hα-helixtrans-62.3-45.1175.600000113.8L377 P378 G383 Q384 V385L377-G381 PolarHBondContact O-N 3.43Å; P378-G381 PolarHBondContact O-N 2.94Å; G381-G383 VanDerWaalsContact C-N 3.32Å; G381-G383 PolarHBondContact O-N 3.31Å; G381-Q384 PolarHBondContact O-N 2.8Å; G381-V385 WeakPolarHBondContact O-CG2 3.49Å; G381-V385 PolarHBondContact O-N 3.02Å; G381-V385 VanDerWaalsContact O-N 3.08Å
382L93.3Very high88.3Confident5 Ų553.8 Ų53.83%0.02627%0.273CS..Hα-helixtrans-59.4-42.6171.7-74.4177.3000111.6Y361 T368 P378 Y379 Q384 V385 Y386Y361-L382 HydrophobicContact CD2-CD2 3.79Å; Y361-L382 HydrophobicContact CE2-CD2 3.96Å; T368-L382 HydrophobicContact CG2-CD1 3.86Å; P378-L382 WeakPolarHBondContact O-CG 3.5Å; P378-L382 PolarHBondContact O-N 3.34Å; Y379-L382 HydrophobicContact CD1-CD1 4.35Å; Y379-L382 PolarHBondContact O-N 3.37Å; L382-Q384 PolarHBondContact O-N 3.39Å; L382-V385 PolarHBondContact O-N 3.35Å; L382-Y386 HydrophobicContact CB-CD2 4.34Å; L382-Y386 HydrophobicContact CB-CE2 4.19Å; L382-Y386 WeakPolarHBondContact O-CB 3.29Å; L382-Y386 WeakPolarHBondContact O-CD2 3.41Å; L382-Y386 PolarHBondContact O-N 3.47Å
383G93.1Very high89.4Confident0 Ų052.2 Ų52.20%027%0.268CS..Hα-helixtrans-56.6-48.7177.600000112.1Y379 Y380 G381 Y386 I387 F399Y379-G383 PolarHBondContact O-N 3.46Å; Y380-G383 PolarHBondContact O-N 2.96Å; G381-G383 VanDerWaalsContact C-N 3.32Å; G381-G383 PolarHBondContact O-N 3.31Å; G383-Y386 PolarHBondContact O-N 3.49Å; G383-I387 WeakPolarHBondContact O-CG1 3.39Å; G383-I387 PolarHBondContact O-N 3.29Å; G383-F399 VanDerWaalsContact CA-CE2 3.5Å
384Q92.9Very high90.5Very high71 Ų7153 Ų5333%0.33226%0.263SS..Hα-helixtrans-60.5-46.6175.2-68.1-179.2-51.500112.5H352 Y380 G381 L382 Y386 I387 M388 F399H352-Q384 PolarHBondContact CE1-OE1 3.47Å; Y380-Q384 HydrophobicContact CD1-CG 4.32Å; Y380-Q384 HydrophobicContact CE1-CG 4.13Å; Y380-Q384 PolarHBondContact O-N 3.45Å; G381-Q384 PolarHBondContact O-N 2.8Å; L382-Q384 PolarHBondContact O-N 3.39Å; Q384-Y386 VanDerWaalsContact C-N 3.32Å; Q384-Y386 PolarHBondContact O-N 3Å; Q384-I387 WeakPolarHBondContact O-CB 3.39Å; Q384-I387 PolarHBondContact O-N 3.15Å; Q384-I387 VanDerWaalsContact O-N 3.16Å; Q384-M388 WeakPolarHBondContact O-CG 3.48Å; Q384-M388 PolarHBondContact O-N 3.1Å; Q384-F399 HydrophobicContact CG-CZ 4.36Å
385V93Very high91.4Very high0 Ų047.2 Ų47.20%023%0.231CC..Hα-helixtrans-67.5-32.4-179.8178.90000112L357 Y361 Y364 G381 L382 M388 R389L357-V385 HydrophobicContact CB-CG1 4.42Å; Y361-V385 HydrophobicContact CD2-CG1 4.49Å; Y364-V385 HydrophobicContact CD2-CG2 4.17Å; Y364-V385 HydrophobicContact CE2-CG2 4Å; G381-V385 WeakPolarHBondContact O-CG2 3.49Å; G381-V385 PolarHBondContact O-N 3.02Å; G381-V385 VanDerWaalsContact O-N 3.08Å; L382-V385 PolarHBondContact O-N 3.35Å; V385-M388 PolarHBondContact O-N 3Å; V385-R389 WeakPolarHBondContact O-CG 3.38Å; V385-R389 PolarHBondContact O-N 3.47Å
386Y94Very high91.8Very high22 Ų2245.7 Ų45.79%0.08623%0.225CC..Hα-helixtrans-66.4-38.2171.4-75.9-49.7000112.3Y361 L382 G383 Q384 R389 G390 E391 K394Y361-Y386 AromaticContact CE2-CE1 3.74Å; Y361-Y386 HydrophobicContact CE2-CE1 3.74Å; Y361-Y386 AromaticContact CE2-CZ 3.74Å; Y361-Y386 PolarHBondContact OH-OH 3.34Å; L382-Y386 HydrophobicContact CB-CD2 4.34Å; L382-Y386 HydrophobicContact CB-CE2 4.19Å; L382-Y386 WeakPolarHBondContact O-CB 3.29Å; L382-Y386 WeakPolarHBondContact O-CD2 3.41Å; L382-Y386 PolarHBondContact O-N 3.47Å; G383-Y386 PolarHBondContact O-N 3.49Å; Q384-Y386 VanDerWaalsContact C-N 3.32Å; Q384-Y386 PolarHBondContact O-N 3Å; Y386-R389 PolarHBondContact O-N 3.35Å; Y386-G390 PolarHBondContact O-N 3.41Å; Y386-E391 HydrophobicContact CD1-CB 3.79Å; Y386-E391 HydrophobicContact CD1-CG 4.34Å; Y386-E391 HydrophobicContact CG-CB 4.33Å; Y386-E391 PolarHBondContact O-N 3.31Å; Y386-K394 HydrophobicContact CD1-CB 3.92Å; Y386-K394 HydrophobicContact CD1-CD 4.14Å; Y386-K394 HydrophobicContact CD2-CB 3.76Å; Y386-K394 HydrophobicContact CE1-CB 4Å; Y386-K394 HydrophobicContact CE1-CD 3.65Å; Y386-K394 HydrophobicContact CE1-CG 4.5Å; Y386-K394 HydrophobicContact CE2-CB 3.84Å; Y386-K394 HydrophobicContact CG-CB 3.81Å
387I92.6Very high92Very high60 Ų6048 Ų4831%0.30824%0.24SC..Hα-helixtrans-59.5-48.3172-66171.1000110.4G383 Q384 R389 G390 A395 F399 V415 L419G383-I387 WeakPolarHBondContact O-CG1 3.39Å; G383-I387 PolarHBondContact O-N 3.29Å; Q384-I387 WeakPolarHBondContact O-CB 3.39Å; Q384-I387 PolarHBondContact O-N 3.15Å; Q384-I387 VanDerWaalsContact O-N 3.16Å; I387-R389 PolarHBondContact O-N 3.02Å; I387-R389 VanDerWaalsContact O-N 3.12Å; I387-G390 PolarHBondContact O-N 3.23Å; I387-A395 HydrophobicContact CG1-CB 3.75Å; I387-F399 HydrophobicContact CD1-CE2 3.87Å; I387-F399 HydrophobicContact CD1-CZ 4.37Å; I387-V415 HydrophobicContact CD1-CG1 3.62Å; I387-L419 HydrophobicContact CD1-CD1 4.22Å; I387-L419 HydrophobicContact CD1-CD2 4.28Å; I387-L419 HydrophobicContact CD1-CG 4.48Å; I387-L419 HydrophobicContact CG1-CD1 4.48Å; I387-L419 HydrophobicContact CG1-CD2 4.12Å
388M89Confident92.1Very high118 Ų11844.8 Ų44.858%0.58122%0.223SC*.Hα-helixtrans-64.2-17.4179.9-63.9-174.683.200113.8L357 Q384 V385L357-M388 HydrophobicContact CD1-CB 3.94Å; L357-M388 HydrophobicContact CD1-CE 3.83Å; L357-M388 HydrophobicContact CD1-SD 3.94Å; L357-M388 HydrophobicContact CD2-CE 4.21Å; L357-M388 HydrophobicContact CD2-SD 3.72Å; Q384-M388 WeakPolarHBondContact O-CG 3.48Å; Q384-M388 PolarHBondContact O-N 3.1Å; V385-M388 PolarHBondContact O-N 3Å
389R89.8Confident92.2Very high90 Ų9044.8 Ų44.834%0.3422%0.223SC..THydrogen-bonded Turntrans-95.3-3.9172.6-68.1177.1-176.9-178.52.5114.1L357 Y361 V385 Y386 I387 E391L357-R389 PolarHBondContact O-NH2 3.15Å; L357-R389 VanDerWaalsContact O-NH2 3.08Å; Y361-R389 VanDerWaalsContact CG-NH2 3.27Å; V385-R389 WeakPolarHBondContact O-CG 3.38Å; V385-R389 PolarHBondContact O-N 3.47Å; Y386-R389 PolarHBondContact O-N 3.35Å; I387-R389 PolarHBondContact O-N 3.02Å; I387-R389 VanDerWaalsContact O-N 3.12Å; R389-E391 HydrophobicContact CB-CG 3.95Å; R389-E391 VanDerWaalsContact CD-OE1 3.22Å; R389-E391 WeakPolarHBondContact CD-OE1 3.46Å; R389-E391 IonicContact NH1-OE1 3.83Å; R389-E391 PolarHBondContact O-N 3.39Å
390G88Confident92.1Very high54 Ų5446 Ų4656%0.55723%0.23SC*.THydrogen-bonded Turntrans72.910.5-171.500000114.5Y386 I387 M392Y386-G390 PolarHBondContact O-N 3.41Å; I387-G390 PolarHBondContact O-N 3.23Å; G390-M392 PolarHBondContact O-N 3.06Å
391E91.7Very high92Very high58 Ų5847.4 Ų47.427%0.27124%0.238SC..  trans-81.652-178.8-63.1-172-106.500111.7Y386 R389 E393 K394 A395Y386-E391 HydrophobicContact CD1-CB 3.79Å; Y386-E391 HydrophobicContact CD1-CG 4.34Å; Y386-E391 HydrophobicContact CG-CB 4.33Å; Y386-E391 PolarHBondContact O-N 3.31Å; R389-E391 HydrophobicContact CB-CG 3.95Å; R389-E391 VanDerWaalsContact CD-OE1 3.22Å; R389-E391 WeakPolarHBondContact CD-OE1 3.46Å; R389-E391 IonicContact NH1-OE1 3.83Å; R389-E391 PolarHBondContact O-N 3.39Å; E391-E393 VanDerWaalsContact C-N 3.31Å; E391-E393 PolarHBondContact O-N 3Å; E391-E393 VanDerWaalsContact O-N 3.14Å; E391-K394 HydrophobicContact CB-CB 4.47Å; E391-K394 HydrophobicContact CB-CD 4.46Å; E391-K394 PolarHBondContact O-N 3.48Å; E391-K394 WeakPolarHBondContact OE2-CD 3.46Å; E391-K394 VanDerWaalsContact OE2-CE 3.31Å; E391-K394 WeakPolarHBondContact OE2-CE 3.26Å; E391-K394 IonicContact OE2-NZ 2.79Å; E391-K394 PolarHBondContact OE2-NZ 3.23Å; E391-A395 PolarHBondContact O-N 3.18Å; E391-A395 VanDerWaalsContact O-N 3.12Å
392M91.4Very high92Very high79 Ų7947.4 Ų47.439%0.38924%0.238SC..Hα-helixtrans-53.8-38.7-166.7-58.2-64.1-100.500114.3G390 K394 A395 I396 L419G390-M392 PolarHBondContact O-N 3.06Å; M392-K394 VanDerWaalsContact C-N 3.31Å; M392-K394 PolarHBondContact O-N 3.35Å; M392-A395 WeakPolarHBondContact O-CB 3.38Å; M392-A395 PolarHBondContact O-N 2.91Å; M392-I396 WeakPolarHBondContact O-CG1 3.14Å; M392-I396 PolarHBondContact O-N 2.99Å; M392-L419 HydrophobicContact CE-CD2 3.47Å; M392-L419 VanDerWaalsContact CE-CD2 3.47Å; M392-L419 HydrophobicContact SD-CD2 3.69Å
393E91.5Very high91.9Very high101 Ų10148 Ų4847%0.47224%0.241SC..Hα-helixtrans-67.7-28.8177.9-66.6-131.9102.200113.2E391 V397 K425 R428E391-E393 VanDerWaalsContact C-N 3.31Å; E391-E393 PolarHBondContact O-N 3Å; E391-E393 VanDerWaalsContact O-N 3.14Å; E393-V397 WeakPolarHBondContact O-CG2 3.26Å; E393-V397 PolarHBondContact O-N 3.16Å; E393-K425 IonicContact OE1-NZ 2.64Å; E393-K425 PolarHBondContact OE1-NZ 3.01Å; E393-K425 IonicContact OE2-NZ 2.92Å; E393-R428 IonicContact OE1-CZ 3.89Å; E393-R428 IonicContact OE1-NH1 3.18Å; E393-R428 PolarHBondContact OE1-NH1 3.18Å; E393-R428 IonicContact OE1-NH2 2.61Å; E393-R428 PolarHBondContact OE1-NH2 3.34Å
394K91.3Very high91.7Very high107 Ų10753.9 Ų53.947%0.46527%0.272SS..Hα-helixtrans-80-34.9174.6-61.5-176.6-168.5166.40111.4Y386 E391 M392 I396 V397 C398Y386-K394 HydrophobicContact CD1-CB 3.92Å; Y386-K394 HydrophobicContact CD1-CD 4.14Å; Y386-K394 HydrophobicContact CD2-CB 3.76Å; Y386-K394 HydrophobicContact CE1-CB 4Å; Y386-K394 HydrophobicContact CE1-CD 3.65Å; Y386-K394 HydrophobicContact CE1-CG 4.5Å; Y386-K394 HydrophobicContact CE2-CB 3.84Å; Y386-K394 HydrophobicContact CG-CB 3.81Å; E391-K394 HydrophobicContact CB-CB 4.47Å; E391-K394 HydrophobicContact CB-CD 4.46Å; E391-K394 PolarHBondContact O-N 3.48Å; E391-K394 WeakPolarHBondContact OE2-CD 3.46Å; E391-K394 VanDerWaalsContact OE2-CE 3.31Å; E391-K394 WeakPolarHBondContact OE2-CE 3.26Å; E391-K394 IonicContact OE2-NZ 2.79Å; E391-K394 PolarHBondContact OE2-NZ 3.23Å; M392-K394 VanDerWaalsContact C-N 3.31Å; M392-K394 PolarHBondContact O-N 3.35Å; K394-I396 VanDerWaalsContact C-N 3.33Å; K394-I396 PolarHBondContact O-N 2.93Å; K394-V397 PolarHBondContact O-N 2.96Å; K394-C398 PolarHBondContact O-N 2.8Å; K394-C398 VanDerWaalsContact O-N 3.12Å; K394-C398 PolarHBondContact O-SG 3.21Å
395A93.8Very high91.5Very high0 Ų056.3 Ų56.30%028%0.283CS..Hα-helixtrans-57.2-47.7170.800000111.1I387 E391 M392 V397 C398 F399 L419I387-A395 HydrophobicContact CG1-CB 3.75Å; E391-A395 PolarHBondContact O-N 3.18Å; E391-A395 VanDerWaalsContact O-N 3.12Å; M392-A395 WeakPolarHBondContact O-CB 3.38Å; M392-A395 PolarHBondContact O-N 2.91Å; A395-V397 PolarHBondContact O-N 2.86Å; A395-C398 WeakPolarHBondContact O-CB 3.12Å; A395-C398 PolarHBondContact O-N 2.73Å; A395-C398 VanDerWaalsContact O-N 3.08Å; A395-F399 HydrophobicContact CB-CE2 4.36Å; A395-F399 WeakPolarHBondContact O-CD2 3.15Å; A395-F399 PolarHBondContact O-N 2.76Å; A395-L419 HydrophobicContact CB-CD1 3.87Å
396I93.4Very high91.2Very high2 Ų260.5 Ų60.51%0.0130%0.303CS..Hα-helixtrans-50.1-55.5174-77.1170000111.5M392 K394 C398 F399 E400 L416 L419 Y420M392-I396 WeakPolarHBondContact O-CG1 3.14Å; M392-I396 PolarHBondContact O-N 2.99Å; K394-I396 VanDerWaalsContact C-N 3.33Å; K394-I396 PolarHBondContact O-N 2.93Å; I396-C398 PolarHBondContact O-N 3.18Å; I396-C398 VanDerWaalsContact O-N 3.15Å; I396-F399 PolarHBondContact O-N 2.76Å; I396-E400 HydrophobicContact CG2-CG 4.27Å; I396-E400 WeakPolarHBondContact CG2-OE2 3.16Å; I396-E400 WeakPolarHBondContact O-CG 3.3Å; I396-E400 PolarHBondContact O-N 3.07Å; I396-L416 HydrophobicContact CB-CD1 4.32Å; I396-L416 HydrophobicContact CG1-CD1 4.1Å; I396-L416 HydrophobicContact CG2-CD1 4.21Å; I396-L419 HydrophobicContact CD1-CB 4.33Å; I396-L419 HydrophobicContact CG1-CB 3.85Å; I396-L419 HydrophobicContact CG1-CD1 4.09Å; I396-Y420 HydrophobicContact CB-CE1 4.46Å; I396-Y420 HydrophobicContact CD1-CD1 3.97Å; I396-Y420 HydrophobicContact CD1-CE1 4.02Å; I396-Y420 HydrophobicContact CG1-CD1 4.16Å; I396-Y420 HydrophobicContact CG1-CE1 4.02Å; I396-Y420 HydrophobicContact CG2-CE1 3.69Å
397V92.9Very high90.9Very high67 Ų6763 Ų6341%0.40632%0.322SS..Hα-helixtrans-64.2-22.3-177.7173.90000112.8E393 K394 A395 K401E393-V397 WeakPolarHBondContact O-CG2 3.26Å; E393-V397 PolarHBondContact O-N 3.16Å; K394-V397 PolarHBondContact O-N 2.96Å; A395-V397 PolarHBondContact O-N 2.86Å; V397-K401 WeakPolarHBondContact O-CD 3.47Å; V397-K401 WeakPolarHBondContact O-CG 3.22Å
398C91.9Very high90.5Very high9 Ų966.8 Ų66.86%0.06134%0.343CS..Hα-helixtrans-77.6-44.2171.4-73.10000112.3Y379 K394 A395 I396 K401 V402Y379-C398 WeakPolarHBondContact O-CB 3.36Å; K394-C398 PolarHBondContact O-N 2.8Å; K394-C398 VanDerWaalsContact O-N 3.12Å; K394-C398 PolarHBondContact O-SG 3.21Å; A395-C398 WeakPolarHBondContact O-CB 3.12Å; A395-C398 PolarHBondContact O-N 2.73Å; A395-C398 VanDerWaalsContact O-N 3.08Å; I396-C398 PolarHBondContact O-N 3.18Å; I396-C398 VanDerWaalsContact O-N 3.15Å; C398-K401 PolarHBondContact O-N 3.15Å; C398-V402 WeakPolarHBondContact O-CG2 3.47Å; C398-V402 PolarHBondContact O-N 2.66Å
399F93.7Very high90.4Very high0 Ų061.9 Ų61.90%032%0.32CS..Hα-helixtrans-73.7-30.7178.5-69-68.6000113.4Y380 G383 Q384 I387 A395 I396 K401 V402 I403 A412 V415 L416 L419Y380-F399 HydrophobicContact CD2-CD1 4.12Å; Y380-F399 AromaticContact CD2-CE1 3.63Å; Y380-F399 HydrophobicContact CD2-CE1 3.63Å; Y380-F399 HydrophobicContact CE2-CD1 4.42Å; Y380-F399 AromaticContact CE2-CE1 3.8Å; Y380-F399 HydrophobicContact CE2-CE1 3.8Å; Y380-F399 HydrophobicContact CG-CE1 4.08Å; G383-F399 VanDerWaalsContact CA-CE2 3.5Å; Q384-F399 HydrophobicContact CG-CZ 4.36Å; I387-F399 HydrophobicContact CD1-CE2 3.87Å; I387-F399 HydrophobicContact CD1-CZ 4.37Å; A395-F399 HydrophobicContact CB-CE2 4.36Å; A395-F399 WeakPolarHBondContact O-CD2 3.15Å; A395-F399 PolarHBondContact O-N 2.76Å; I396-F399 PolarHBondContact O-N 2.76Å; F399-K401 VanDerWaalsContact C-N 3.33Å; F399-K401 PolarHBondContact O-N 3.41Å; F399-V402 PolarHBondContact O-N 3.26Å; F399-V402 VanDerWaalsContact O-N 3.15Å; F399-I403 PolarHBondContact O-N 3.4Å; F399-I403 VanDerWaalsContact O-N 3.08Å; F399-A412 HydrophobicContact CD1-CB 4.3Å; F399-V415 HydrophobicContact CD1-CG1 4.48Å; F399-V415 HydrophobicContact CD2-CG1 3.9Å; F399-V415 HydrophobicContact CE1-CB 4.36Å; F399-V415 HydrophobicContact CE1-CG1 4.1Å; F399-V415 HydrophobicContact CE2-CG1 3.48Å; F399-V415 VanDerWaalsContact CE2-CG1 3.48Å; F399-V415 HydrophobicContact CG-CG1 4.41Å; F399-V415 HydrophobicContact CZ-CB 4.33Å; F399-V415 HydrophobicContact CZ-CG1 3.6Å; F399-L416 HydrophobicContact CB-CB 4.22Å; F399-L416 HydrophobicContact CB-CD1 4.23Å; F399-L419 HydrophobicContact CD2-CD1 3.69Å; F399-L419 HydrophobicContact CE2-CD1 4.04Å
400E92.2Very high90.2Very high63 Ų6360.6 Ų60.629%0.29432%0.317SS..Hα-helixtrans-54.3-49.9168.8-74.7178.4124.200110.4I396 V402 I403 D404 L416 Y420I396-E400 HydrophobicContact CG2-CG 4.27Å; I396-E400 WeakPolarHBondContact CG2-OE2 3.16Å; I396-E400 WeakPolarHBondContact O-CG 3.3Å; I396-E400 PolarHBondContact O-N 3.07Å; E400-V402 VanDerWaalsContact C-N 3.27Å; E400-V402 PolarHBondContact O-N 3.31Å; E400-I403 PolarHBondContact O-N 2.71Å; E400-I403 VanDerWaalsContact O-N 3.1Å; E400-D404 VanDerWaalsContact O-CG 3.28Å; E400-D404 PolarHBondContact O-N 2.85Å; E400-L416 HydrophobicContact CG-CD1 4.45Å; E400-L416 HydrophobicContact CG-CD2 4.07Å; E400-Y420 PolarHBondContact OE1-OH 2.61Å
401K90.5Very high90.2Very high88 Ų8861.8 Ų61.838%0.38331%0.308SS..Hα-helixtrans-63.9-26.6176.9-68.8173.1-175.4178.80114.7Y379 V397 C398 F399Y379-K401 HydrophobicContact CD1-CD 4.18Å; Y379-K401 HydrophobicContact CD2-CB 4.42Å; Y379-K401 HydrophobicContact CE1-CD 4.08Å; Y379-K401 HydrophobicContact CG-CB 4.44Å; Y379-K401 HydrophobicContact CG-CD 4.5Å; V397-K401 WeakPolarHBondContact O-CD 3.47Å; V397-K401 WeakPolarHBondContact O-CG 3.22Å; C398-K401 PolarHBondContact O-N 3.15Å; F399-K401 VanDerWaalsContact C-N 3.33Å; F399-K401 PolarHBondContact O-N 3.41Å
402V92.1Very high90.1Very high2 Ų259 Ų591%0.01230%0.295CS..Hα-helixtrans-69.4-46.8173.1176.10000109.4V376 C398 F399 E400 Q405 Q406 A412V376-V402 HydrophobicContact CG1-CB 4.11Å; V376-V402 HydrophobicContact CG1-CG1 4.01Å; V376-V402 HydrophobicContact CG1-CG2 4.02Å; C398-V402 WeakPolarHBondContact O-CG2 3.47Å; C398-V402 PolarHBondContact O-N 2.66Å; F399-V402 PolarHBondContact O-N 3.26Å; F399-V402 VanDerWaalsContact O-N 3.15Å; E400-V402 VanDerWaalsContact C-N 3.27Å; E400-V402 PolarHBondContact O-N 3.31Å; V402-Q405 PolarHBondContact O-N 3.29Å; V402-Q406 WeakPolarHBondContact O-CA 3.29Å; V402-Q406 WeakPolarHBondContact O-CB 2.97Å; V402-Q406 PolarHBondContact O-N 3.04Å; V402-A412 HydrophobicContact CB-CB 4.19Å; V402-A412 HydrophobicContact CG1-CB 3.64Å
403I90.3Very high90.1Very high18 Ų1855.9 Ų55.99%0.09228%0.28CS..Hα-helixtrans-70.6-33.4-178.9-68.8164.6000111.9F399 E400 Q405 Q406 P407 A412 L416F399-I403 PolarHBondContact O-N 3.4Å; F399-I403 VanDerWaalsContact O-N 3.08Å; E400-I403 PolarHBondContact O-N 2.71Å; E400-I403 VanDerWaalsContact O-N 3.1Å; I403-Q405 PolarHBondContact O-N 3.3Å; I403-Q406 CarbonylContact O-C 3.54Å; I403-Q406 PolarHBondContact O-N 2.92Å; I403-P407 VanDerWaalsContact O-CA 3.3Å; I403-P407 WeakPolarHBondContact O-CA 3.17Å; I403-P407 VanDerWaalsContact O-N 3.16Å; I403-A412 HydrophobicContact CD1-CB 4.32Å; I403-A412 HydrophobicContact CG1-CB 3.98Å; I403-L416 HydrophobicContact CD1-CB 4.12Å; I403-L416 HydrophobicContact CD1-CD2 3.59Å
404D90.5Very high90.1Very high123 Ų12353.4 Ų53.466%0.65827%0.268SS*.Hα-helixtrans-58.5-28173.3-71.8-27.8000113.1E400E400-D404 VanDerWaalsContact O-CG 3.28Å; E400-D404 PolarHBondContact O-N 2.85Å
405Q87.5Confident90.1Very high121 Ų12149.9 Ų49.957%0.56526%0.255SS*.Hα-helixtrans-106.6-27.2-178.8-63.1-67.3-30.100113.1V376 V402 I403V376-Q405 HydrophobicContact CG1-CB 4.24Å; V376-Q405 HydrophobicContact CG2-CB 3.55Å; V376-Q405 HydrophobicContact CG2-CG 3.99Å; V402-Q405 PolarHBondContact O-N 3.29Å; I403-Q405 PolarHBondContact O-N 3.3Å
406Q87.1Confident90Very high88 Ų8849.9 Ų49.941%0.41126%0.255SS..  trans-135.873.2-177.6-64.6-173.2-31.100109.4V402 I403 D408 S409V402-Q406 WeakPolarHBondContact O-CA 3.29Å; V402-Q406 WeakPolarHBondContact O-CB 2.97Å; V402-Q406 PolarHBondContact O-N 3.04Å; I403-Q406 CarbonylContact O-C 3.54Å; I403-Q406 PolarHBondContact O-N 2.92Å; Q406-D408 PolarHBondContact O-N 2.86Å; Q406-D408 VanDerWaalsContact O-N 3.11Å; Q406-S409 PolarHBondContact O-N 3.34Å; Q406-S409 VanDerWaalsContact O-N 3.08Å
407P87Confident89.8Confident74 Ų7449.8 Ų49.848%0.48125%0.254SS..THydrogen-bonded Turntrans-62.1-23.1-174.725.1-35.5000113.4I403 M413I403-P407 VanDerWaalsContact O-CA 3.3Å; I403-P407 WeakPolarHBondContact O-CA 3.17Å; I403-P407 VanDerWaalsContact O-N 3.16Å; P407-M413 VanDerWaalsContact O-CE 3.3Å; P407-M413 WeakPolarHBondContact O-CE 3.45Å
408D84.9Confident89.6Confident140 Ų14048.5 Ų48.575%0.74925%0.248SC*.THydrogen-bonded Turntrans-88.41.7-179.6-52.7-36.5000113.7Q406 F410Q406-D408 PolarHBondContact O-N 2.86Å; Q406-D408 VanDerWaalsContact O-N 3.11Å; D408-F410 PolarHBondContact O-N 2.99Å
409S86.6Confident89.5Confident15 Ų1548.4 Ų48.411%0.10525%0.247CC..  trans-7297.4175.8176.80000110.9Q406 E411 A412 M413Q406-S409 PolarHBondContact O-N 3.34Å; Q406-S409 VanDerWaalsContact O-N 3.08Å; S409-E411 VanDerWaalsContact C-N 3.26Å; S409-E411 PolarHBondContact O-N 3.31Å; S409-E411 PolarHBondContact OG-OE2 2.72Å; S409-A412 PolarHBondContact O-N 2.92Å; S409-A412 WeakPolarHBondContact OG-CB 3.11Å; S409-A412 PolarHBondContact OG-N 3.46Å; S409-M413 WeakPolarHBondContact O-CB 3.2Å; S409-M413 PolarHBondContact O-N 2.91Å
410F86.6Confident89.3Confident64 Ų6448.5 Ų48.528%0.28125%0.247SC..Hα-helixtrans-63.3-30177.167.1-83.3000112.5D408 K414 M442 F443D408-F410 PolarHBondContact O-N 2.99Å; F410-K414 VanDerWaalsContact O-CB 3.25Å; F410-K414 WeakPolarHBondContact O-CB 3.13Å; F410-K414 PolarHBondContact O-N 3.44Å; F410-M442 HydrophobicContact CB-CE 3.81Å; F410-F443 HydrophobicContact CB-CD2 4.01Å; F410-F443 HydrophobicContact CB-CE2 3.68Å; F410-F443 AromaticContact CD1-CE2 3.56Å; F410-F443 HydrophobicContact CD1-CE2 3.56Å; F410-F443 AromaticContact CD1-CZ 3.85Å; F410-F443 HydrophobicContact CD1-CZ 3.85Å; F410-F443 AromaticContact CD2-CD2 3.64Å; F410-F443 HydrophobicContact CD2-CD2 3.64Å; F410-F443 HydrophobicContact CD2-CE1 4.5Å; F410-F443 AromaticContact CD2-CE2 3.36Å; F410-F443 HydrophobicContact CD2-CE2 3.36Å; F410-F443 HydrophobicContact CD2-CG 4.35Å; F410-F443 AromaticContact CD2-CZ 3.83Å; F410-F443 HydrophobicContact CD2-CZ 3.83Å; F410-F443 HydrophobicContact CE1-CE2 4.01Å; F410-F443 AromaticContact CE1-CZ 3.8Å; F410-F443 HydrophobicContact CE1-CZ 3.8Å; F410-F443 HydrophobicContact CE2-CD2 4.26Å; F410-F443 HydrophobicContact CE2-CE1 4.19Å; F410-F443 AromaticContact CE2-CE2 3.81Å; F410-F443 HydrophobicContact CE2-CE2 3.81Å; F410-F443 AromaticContact CE2-CZ 3.76Å; F410-F443 HydrophobicContact CE2-CZ 3.76Å; F410-F443 AromaticContact CG-CD2 3.83Å; F410-F443 HydrophobicContact CG-CD2 3.83Å; F410-F443 AromaticContact CG-CE2 3.22Å; F410-F443 HydrophobicContact CG-CE2 3.22Å; F410-F443 AromaticContact CG-CZ 3.88Å; F410-F443 HydrophobicContact CG-CZ 3.88Å; F410-F443 HydrophobicContact CZ-CE1 4.35Å; F410-F443 HydrophobicContact CZ-CE2 4.13Å; F410-F443 AromaticContact CZ-CZ 3.76Å; F410-F443 HydrophobicContact CZ-CZ 3.76Å
411E86.7Confident89.1Confident79 Ų7946.2 Ų46.237%0.36924%0.24SC..Hα-helixtrans-68.7-46.8176.2-46.592.7147.800111.1Y380 S409 M413 K414 V415Y380-E411 HydrophobicContact CE2-CB 4.14Å; S409-E411 VanDerWaalsContact C-N 3.26Å; S409-E411 PolarHBondContact O-N 3.31Å; S409-E411 PolarHBondContact OG-OE2 2.72Å; E411-M413 VanDerWaalsContact C-N 3.33Å; E411-M413 PolarHBondContact O-N 3.27Å; E411-K414 PolarHBondContact O-N 3.23Å; E411-V415 WeakPolarHBondContact O-CG2 3.43Å; E411-V415 PolarHBondContact O-N 2.71Å
412A90.9Very high88.8Confident0 Ų045.5 Ų45.50%025%0.25CC..Hα-helixtrans-63.6-40.5174.900000111.3Y380 F399 V402 I403 S409 V415 L416Y380-A412 HydrophobicContact CD2-CB 4.42Å; Y380-A412 HydrophobicContact CE2-CB 4.37Å; F399-A412 HydrophobicContact CD1-CB 4.3Å; V402-A412 HydrophobicContact CB-CB 4.19Å; V402-A412 HydrophobicContact CG1-CB 3.64Å; I403-A412 HydrophobicContact CD1-CB 4.32Å; I403-A412 HydrophobicContact CG1-CB 3.98Å; S409-A412 PolarHBondContact O-N 2.92Å; S409-A412 WeakPolarHBondContact OG-CB 3.11Å; S409-A412 PolarHBondContact OG-N 3.46Å; A412-V415 PolarHBondContact O-N 2.7Å; A412-L416 VanDerWaalsContact O-CB 3.32Å; A412-L416 WeakPolarHBondContact O-CB 3.46Å; A412-L416 PolarHBondContact O-N 3.15Å
413M91.5Very high88.5Confident13 Ų1346.2 Ų46.26%0.06426%0.255CS..Hα-helixtrans-64.1-39.9177.1-167.9174.5-58.300112.4P407 S409 E411 G417 Y435 K438 V439 M442P407-M413 VanDerWaalsContact O-CE 3.3Å; P407-M413 WeakPolarHBondContact O-CE 3.45Å; S409-M413 WeakPolarHBondContact O-CB 3.2Å; S409-M413 PolarHBondContact O-N 2.91Å; E411-M413 VanDerWaalsContact C-N 3.33Å; E411-M413 PolarHBondContact O-N 3.27Å; M413-G417 PolarHBondContact O-N 3.14Å; M413-Y435 HydrophobicContact CE-CD1 4.41Å; M413-Y435 HydrophobicContact CG-CD1 3.64Å; M413-Y435 HydrophobicContact CG-CG 3.77Å; M413-Y435 HydrophobicContact SD-CD1 3.93Å; M413-K438 HydrophobicContact SD-CB 3.63Å; M413-K438 HydrophobicContact SD-CD 3.99Å; M413-K438 HydrophobicContact SD-CG 4.46Å; M413-V439 HydrophobicContact CB-CG2 3.98Å; M413-V439 HydrophobicContact CG-CG2 3.91Å; M413-V439 HydrophobicContact SD-CG2 4.24Å; M413-M442 HydrophobicContact SD-CE 4.31Å
414K89.7Confident88Confident49 Ų4952.6 Ų52.621%0.21329%0.289CS..Hα-helixtrans-63.9-48.1174.9-177-178.5-176.51760111.8F410 E411 G417 S418 V439 D446F410-K414 VanDerWaalsContact O-CB 3.25Å; F410-K414 WeakPolarHBondContact O-CB 3.13Å; F410-K414 PolarHBondContact O-N 3.44Å; E411-K414 PolarHBondContact O-N 3.23Å; K414-G417 PolarHBondContact O-N 3.02Å; K414-S418 PolarHBondContact O-N 3.3Å; K414-S418 VanDerWaalsContact O-N 3.13Å; K414-V439 HydrophobicContact CB-CG1 4.22Å; K414-V439 HydrophobicContact CB-CG2 4.17Å; K414-V439 HydrophobicContact CG-CG1 4.45Å; K414-D446 WeakPolarHBondContact CE-OD2 3.45Å; K414-D446 IonicContact NZ-OD1 3.95Å; K414-D446 PolarHBondContact NZ-OD1 2.86Å; K414-D446 IonicContact NZ-OD2 2.85Å; K414-D446 PolarHBondContact NZ-OD2 3.13Å
415V91.4Very high87.5Confident33 Ų3351.7 Ų51.720%0.228%0.28CS..Hα-helixtrans-68.9-41.2-179.61770000111.4I387 F399 E411 A412 G417 S418 L419I387-V415 HydrophobicContact CD1-CG1 3.62Å; F399-V415 HydrophobicContact CD1-CG1 4.48Å; F399-V415 HydrophobicContact CD2-CG1 3.9Å; F399-V415 HydrophobicContact CE1-CB 4.36Å; F399-V415 HydrophobicContact CE1-CG1 4.1Å; F399-V415 HydrophobicContact CE2-CG1 3.48Å; F399-V415 VanDerWaalsContact CE2-CG1 3.48Å; F399-V415 HydrophobicContact CG-CG1 4.41Å; F399-V415 HydrophobicContact CZ-CB 4.33Å; F399-V415 HydrophobicContact CZ-CG1 3.6Å; E411-V415 WeakPolarHBondContact O-CG2 3.43Å; E411-V415 PolarHBondContact O-N 2.71Å; A412-V415 PolarHBondContact O-N 2.7Å; V415-G417 VanDerWaalsContact C-N 3.28Å; V415-G417 PolarHBondContact O-N 3.03Å; V415-S418 PolarHBondContact O-N 2.86Å; V415-S418 PolarHBondContact O-OG 3.36Å; V415-L419 HydrophobicContact CG1-CD1 4.07Å; V415-L419 HydrophobicContact CG1-CG 4.38Å; V415-L419 WeakPolarHBondContact O-CB 3.17Å; V415-L419 VanDerWaalsContact O-CG 3.25Å; V415-L419 WeakPolarHBondContact O-CG 3.2Å; V415-L419 PolarHBondContact O-N 3.06Å
416L91.8Very high86.9Confident0 Ų051.7 Ų51.70%028%0.277CS..Hα-helixtrans-65.7-34.5174.3-169.959.4000111.5I396 F399 E400 I403 A412 L419 Y420 Y435I396-L416 HydrophobicContact CB-CD1 4.32Å; I396-L416 HydrophobicContact CG1-CD1 4.1Å; I396-L416 HydrophobicContact CG2-CD1 4.21Å; F399-L416 HydrophobicContact CB-CB 4.22Å; F399-L416 HydrophobicContact CB-CD1 4.23Å; E400-L416 HydrophobicContact CG-CD1 4.45Å; E400-L416 HydrophobicContact CG-CD2 4.07Å; I403-L416 HydrophobicContact CD1-CB 4.12Å; I403-L416 HydrophobicContact CD1-CD2 3.59Å; A412-L416 VanDerWaalsContact O-CB 3.32Å; A412-L416 WeakPolarHBondContact O-CB 3.46Å; A412-L416 PolarHBondContact O-N 3.15Å; L416-L419 PolarHBondContact O-N 3.34Å; L416-Y420 HydrophobicContact CD1-CD1 3.84Å; L416-Y420 HydrophobicContact CD1-CE1 3.43Å; L416-Y420 VanDerWaalsContact CD1-CE1 3.43Å; L416-Y420 HydrophobicContact CD1-CE2 4.22Å; L416-Y420 HydrophobicContact CD1-CG 4.42Å; L416-Y420 HydrophobicContact CD2-CE2 4.06Å; L416-Y420 HydrophobicContact CG-CD1 4.28Å; L416-Y420 HydrophobicContact CG-CD2 4.18Å; L416-Y420 HydrophobicContact CG-CE1 4.02Å; L416-Y420 HydrophobicContact CG-CE2 3.88Å; L416-Y420 HydrophobicContact CG-CG 4.38Å; L416-Y420 VanDerWaalsContact O-CB 3.24Å; L416-Y420 WeakPolarHBondContact O-CB 3.19Å; L416-Y420 VanDerWaalsContact O-CG 3.24Å; L416-Y420 PolarHBondContact O-N 3.13Å; L416-Y435 HydrophobicContact CD2-CD2 4.33Å; L416-Y435 HydrophobicContact CD2-CE2 3.65Å; L416-Y435 HydrophobicContact CG-CD2 4.38Å; L416-Y435 HydrophobicContact CG-CE2 4.13Å
417G89.4Confident86.6Confident0 Ų054.8 Ų54.80%029%0.292CS..Hα-helixtrans-57-51.9172.800000113.3M413 K414 V415 Y420 A421 A432M413-G417 PolarHBondContact O-N 3.14Å; K414-G417 PolarHBondContact O-N 3.02Å; V415-G417 VanDerWaalsContact C-N 3.28Å; V415-G417 PolarHBondContact O-N 3.03Å; G417-Y420 PolarHBondContact O-N 3.46Å; G417-A421 PolarHBondContact O-N 2.93Å; G417-A432 WeakPolarHBondContact O-CB 3.43Å
418S88.4Confident86.5Confident39 Ų3953 Ų5327%0.27328%0.276SS..Hα-helixtrans-70.6-36.6178.160.80000112.9K414 V415 Y420 A421 A422K414-S418 PolarHBondContact O-N 3.3Å; K414-S418 VanDerWaalsContact O-N 3.13Å; V415-S418 PolarHBondContact O-N 2.86Å; V415-S418 PolarHBondContact O-OG 3.36Å; S418-Y420 PolarHBondContact O-N 2.88Å; S418-A421 WeakPolarHBondContact O-CB 3.28Å; S418-A421 PolarHBondContact O-N 3.31Å; S418-A422 WeakPolarHBondContact O-CB 3.49Å; S418-A422 PolarHBondContact O-N 2.87Å
419L90.9Very high86.3Confident7 Ų748.5 Ų48.54%0.03725%0.249CC..Hα-helixtrans-60.9-33.6171.4-72.7177.1000112.9I387 M392 A395 I396 F399 V415 L416I387-L419 HydrophobicContact CD1-CD1 4.22Å; I387-L419 HydrophobicContact CD1-CD2 4.28Å; I387-L419 HydrophobicContact CD1-CG 4.48Å; I387-L419 HydrophobicContact CG1-CD1 4.48Å; I387-L419 HydrophobicContact CG1-CD2 4.12Å; M392-L419 HydrophobicContact CE-CD2 3.47Å; M392-L419 VanDerWaalsContact CE-CD2 3.47Å; M392-L419 HydrophobicContact SD-CD2 3.69Å; A395-L419 HydrophobicContact CB-CD1 3.87Å; I396-L419 HydrophobicContact CD1-CB 4.33Å; I396-L419 HydrophobicContact CG1-CB 3.85Å; I396-L419 HydrophobicContact CG1-CD1 4.09Å; F399-L419 HydrophobicContact CD2-CD1 3.69Å; F399-L419 HydrophobicContact CE2-CD1 4.04Å; V415-L419 HydrophobicContact CG1-CD1 4.07Å; V415-L419 HydrophobicContact CG1-CG 4.38Å; V415-L419 WeakPolarHBondContact O-CB 3.17Å; V415-L419 VanDerWaalsContact O-CG 3.25Å; V415-L419 WeakPolarHBondContact O-CG 3.2Å; V415-L419 PolarHBondContact O-N 3.06Å; L416-L419 PolarHBondContact O-N 3.34Å
420Y90.2Very high86.1Confident2 Ų251.3 Ų51.31%0.00827%0.269CS..Hα-helixtrans-78.1-35.5175.8-79.40.3000113.1I396 E400 L416 G417 S418 A422 S423 R428 K431 Y435I396-Y420 HydrophobicContact CB-CE1 4.46Å; I396-Y420 HydrophobicContact CD1-CD1 3.97Å; I396-Y420 HydrophobicContact CD1-CE1 4.02Å; I396-Y420 HydrophobicContact CG1-CD1 4.16Å; I396-Y420 HydrophobicContact CG1-CE1 4.02Å; I396-Y420 HydrophobicContact CG2-CE1 3.69Å; E400-Y420 PolarHBondContact OE1-OH 2.61Å; L416-Y420 HydrophobicContact CD1-CD1 3.84Å; L416-Y420 HydrophobicContact CD1-CE1 3.43Å; L416-Y420 VanDerWaalsContact CD1-CE1 3.43Å; L416-Y420 HydrophobicContact CD1-CE2 4.22Å; L416-Y420 HydrophobicContact CD1-CG 4.42Å; L416-Y420 HydrophobicContact CD2-CE2 4.06Å; L416-Y420 HydrophobicContact CG-CD1 4.28Å; L416-Y420 HydrophobicContact CG-CD2 4.18Å; L416-Y420 HydrophobicContact CG-CE1 4.02Å; L416-Y420 HydrophobicContact CG-CE2 3.88Å; L416-Y420 HydrophobicContact CG-CG 4.38Å; L416-Y420 VanDerWaalsContact O-CB 3.24Å; L416-Y420 WeakPolarHBondContact O-CB 3.19Å; L416-Y420 VanDerWaalsContact O-CG 3.24Å; L416-Y420 PolarHBondContact O-N 3.13Å; G417-Y420 PolarHBondContact O-N 3.46Å; S418-Y420 PolarHBondContact O-N 2.88Å; Y420-A422 VanDerWaalsContact C-N 3.31Å; Y420-A422 PolarHBondContact O-N 3.32Å; Y420-S423 PolarHBondContact O-N 3.41Å; Y420-R428 WeakPolarHBondContact CB-O 3.43Å; Y420-R428 HydrophobicContact CD1-CB 3.77Å; Y420-R428 HydrophobicContact CD1-CG 3.73Å; Y420-R428 HydrophobicContact CD2-CB 4.24Å; Y420-R428 HydrophobicContact CE1-CB 4.26Å; Y420-R428 HydrophobicContact CE1-CG 3.73Å; Y420-R428 HydrophobicContact CG-CB 3.73Å; Y420-R428 HydrophobicContact CG-CG 4.14Å; Y420-K431 HydrophobicContact CD2-CB 3.67Å; Y420-K431 HydrophobicContact CE2-CB 3.79Å; Y420-K431 HydrophobicContact CE2-CD 3.88Å; Y420-Y435 HydrophobicContact CD2-CD2 4.16Å; Y420-Y435 HydrophobicContact CD2-CE2 4.15Å; Y420-Y435 HydrophobicContact CE2-CD2 4.24Å; Y420-Y435 AromaticContact CE2-CE2 3.75Å; Y420-Y435 HydrophobicContact CE2-CE2 3.75Å
421A86.4Confident86.1Confident16 Ų1652.6 Ų52.613%0.13228%0.275CS..Hα-helixtrans-59-44171.200000111.5G417 S418 S423 K429 A432 V456G417-A421 PolarHBondContact O-N 2.93Å; S418-A421 WeakPolarHBondContact O-CB 3.28Å; S418-A421 PolarHBondContact O-N 3.31Å; A421-S423 PolarHBondContact O-N 3.29Å; A421-K429 VanDerWaalsContact O-CE 3.26Å; A421-K429 WeakPolarHBondContact O-CE 3.41Å; A421-K429 PolarHBondContact O-NZ 2.63Å; A421-A432 HydrophobicContact CB-CB 4.39Å; A421-V456 HydrophobicContact CB-CG2 3.39Å
422A85.7Confident86.1Confident72 Ų7248.9 Ų48.960%0.59526%0.257SS*.THydrogen-bonded Turntrans-74.8-0.9179.100000114.9S418 Y420S418-A422 WeakPolarHBondContact O-CB 3.49Å; S418-A422 PolarHBondContact O-N 2.87Å; Y420-A422 VanDerWaalsContact C-N 3.31Å; Y420-A422 PolarHBondContact O-N 3.32Å
423S86Confident85.8Confident17 Ų1751.8 Ų51.812%0.11927%0.27CS..  trans-102.1127-176.7-163.40000111.9Y420 A421 K425 R428 K429Y420-S423 PolarHBondContact O-N 3.41Å; A421-S423 PolarHBondContact O-N 3.29Å; S423-K425 PolarHBondContact O-N 2.87Å; S423-R428 WeakPolarHBondContact OG-CD 3.26Å; S423-R428 PolarHBondContact OG-NH1 3.23Å; S423-K429 WeakPolarHBondContact O-CE 3.38Å; S423-K429 WeakPolarHBondContact O-CG 3.46Å
424D78.6Confident85.6Confident152 Ų15256 Ų5681%0.81329%0.289SS*.SBendtrans-57.1-19.3-179-56-54.7000114.8K426D424-K426 PolarHBondContact O-N 3.23Å; D424-K426 VanDerWaalsContact O-N 3.13Å
425K80.8Confident85.6Confident105 Ų10555.7 Ų55.746%0.45729%0.287SS..  trans-71.4105-178.3-65.7171.6-174.7168.40109.4E393 S423 E427 R428 K429E393-K425 IonicContact OE1-NZ 2.64Å; E393-K425 PolarHBondContact OE1-NZ 3.01Å; E393-K425 IonicContact OE2-NZ 2.92Å; S423-K425 PolarHBondContact O-N 2.87Å; K425-E427 PolarHBondContact O-N 2.7Å; K425-R428 HydrophobicContact CB-CG 4.42Å; K425-R428 WeakPolarHBondContact O-CB 3.31Å; K425-R428 PolarHBondContact O-N 2.71Å; K425-K429 PolarHBondContact O-N 3.13Å
426K74.2Confident85.4Confident120 Ų12054.1 Ų54.152%0.52228%0.277SS..Hα-helixtrans-45.4-37.7175.9-65.2-174171.9-174.90113.4D424 R428 K429 S430 D463D424-K426 PolarHBondContact O-N 3.23Å; D424-K426 VanDerWaalsContact O-N 3.13Å; K426-R428 VanDerWaalsContact C-N 3.28Å; K426-R428 PolarHBondContact O-N 2.99Å; K426-K429 PolarHBondContact O-N 3.11Å; K426-S430 PolarHBondContact O-N 3.34Å; K426-S430 VanDerWaalsContact O-N 3.17Å; K426-D463 VanDerWaalsContact CD-OD2 3.31Å; K426-D463 WeakPolarHBondContact CD-OD2 3.42Å; K426-D463 WeakPolarHBondContact CE-OD2 3.39Å; K426-D463 IonicContact NZ-OD2 3.92Å; K426-D463 PolarHBondContact NZ-OD2 3.11Å
427E81.5Confident85.2Confident153 Ų15355 Ų5572%0.71529%0.285SS*.Hα-helixtrans-35.4-53.1164.661.782.9154.500114.8K425 S430K425-E427 PolarHBondContact O-N 2.7Å; E427-S430 PolarHBondContact O-OG 3.19Å; E427-S430 VanDerWaalsContact O-OG 3.07Å
428R85.3Confident85.2Confident38 Ų3858.8 Ų58.814%0.14330%0.302CS..Hα-helixtrans-80.1-41.1-176.8-71.2178.7174158.5-2.5111E393 Y420 S423 K425 K426 S430 K431 A432E393-R428 IonicContact OE1-CZ 3.89Å; E393-R428 IonicContact OE1-NH1 3.18Å; E393-R428 PolarHBondContact OE1-NH1 3.18Å; E393-R428 IonicContact OE1-NH2 2.61Å; E393-R428 PolarHBondContact OE1-NH2 3.34Å; Y420-R428 WeakPolarHBondContact CB-O 3.43Å; Y420-R428 HydrophobicContact CD1-CB 3.77Å; Y420-R428 HydrophobicContact CD1-CG 3.73Å; Y420-R428 HydrophobicContact CD2-CB 4.24Å; Y420-R428 HydrophobicContact CE1-CB 4.26Å; Y420-R428 HydrophobicContact CE1-CG 3.73Å; Y420-R428 HydrophobicContact CG-CB 3.73Å; Y420-R428 HydrophobicContact CG-CG 4.14Å; S423-R428 WeakPolarHBondContact OG-CD 3.26Å; S423-R428 PolarHBondContact OG-NH1 3.23Å; K425-R428 HydrophobicContact CB-CG 4.42Å; K425-R428 WeakPolarHBondContact O-CB 3.31Å; K425-R428 PolarHBondContact O-N 2.71Å; K426-R428 VanDerWaalsContact C-N 3.28Å; K426-R428 PolarHBondContact O-N 2.99Å; R428-S430 VanDerWaalsContact C-N 3.28Å; R428-S430 PolarHBondContact O-N 2.95Å; R428-K431 CarbonylContact O-C 3.5Å; R428-K431 WeakPolarHBondContact O-CA 3.41Å; R428-K431 WeakPolarHBondContact O-CB 3.43Å; R428-K431 PolarHBondContact O-N 2.78Å; R428-A432 PolarHBondContact O-N 3.39Å
429K80.5Confident85.2Confident44 Ų4457 Ų5719%0.19129%0.289CS..Hα-helixtrans-59.3-35.3-179.8-60.1-160.4174.7-157.60113.3A421 S423 K425 K426 A432 K433 E459A421-K429 VanDerWaalsContact O-CE 3.26Å; A421-K429 WeakPolarHBondContact O-CE 3.41Å; A421-K429 PolarHBondContact O-NZ 2.63Å; S423-K429 WeakPolarHBondContact O-CE 3.38Å; S423-K429 WeakPolarHBondContact O-CG 3.46Å; K425-K429 PolarHBondContact O-N 3.13Å; K426-K429 PolarHBondContact O-N 3.11Å; K429-A432 WeakPolarHBondContact O-CB 3.35Å; K429-A432 PolarHBondContact O-N 2.88Å; K429-K433 PolarHBondContact O-N 3.11Å; K429-E459 WeakPolarHBondContact CD-OE2 3.46Å; K429-E459 IonicContact NZ-OE1 3.68Å; K429-E459 PolarHBondContact NZ-OE1 3.14Å; K429-E459 IonicContact NZ-OE2 2.68Å; K429-E459 PolarHBondContact NZ-OE2 3.02Å
430S81Confident85.1Confident74 Ų7457.2 Ų57.252%0.51729%0.29SS..Hα-helixtrans-67.5-41.517365.10000112.5K426 E427 R428 A432 K433 E434K426-S430 PolarHBondContact O-N 3.34Å; K426-S430 VanDerWaalsContact O-N 3.17Å; E427-S430 PolarHBondContact O-OG 3.19Å; E427-S430 VanDerWaalsContact O-OG 3.07Å; R428-S430 VanDerWaalsContact C-N 3.28Å; R428-S430 PolarHBondContact O-N 2.95Å; S430-A432 VanDerWaalsContact C-N 3.35Å; S430-K433 WeakPolarHBondContact O-CB 3.43Å; S430-K433 PolarHBondContact O-N 2.97Å; S430-E434 PolarHBondContact O-N 2.8Å
431K86.6Confident85Confident92 Ų9264.6 Ų64.640%0.433%0.325SS..Hα-helixtrans-65-34.2171.6-66.7-177.7-179.7-176.50112.9Y420 R428 K433 E434 Y435Y420-K431 HydrophobicContact CD2-CB 3.67Å; Y420-K431 HydrophobicContact CE2-CB 3.79Å; Y420-K431 HydrophobicContact CE2-CD 3.88Å; R428-K431 CarbonylContact O-C 3.5Å; R428-K431 WeakPolarHBondContact O-CA 3.41Å; R428-K431 WeakPolarHBondContact O-CB 3.43Å; R428-K431 PolarHBondContact O-N 2.78Å; K431-K433 VanDerWaalsContact C-N 3.3Å; K431-K433 PolarHBondContact O-N 3.32Å; K431-E434 PolarHBondContact O-N 2.98Å; K431-Y435 HydrophobicContact CB-CE2 4.48Å; K431-Y435 PolarHBondContact O-N 3.37Å
432A87.4Confident85Confident0 Ų068 Ų680%034%0.339CS..Hα-helixtrans-56.8-46.717500000110.8G417 A421 R428 K429 S430 E434 Y435 L436 V456G417-A432 WeakPolarHBondContact O-CB 3.43Å; A421-A432 HydrophobicContact CB-CB 4.39Å; R428-A432 PolarHBondContact O-N 3.39Å; K429-A432 WeakPolarHBondContact O-CB 3.35Å; K429-A432 PolarHBondContact O-N 2.88Å; S430-A432 VanDerWaalsContact C-N 3.35Å; A432-E434 VanDerWaalsContact C-N 3.33Å; A432-E434 PolarHBondContact O-N 3.37Å; A432-Y435 PolarHBondContact O-N 2.61Å; A432-L436 VanDerWaalsContact O-CB 3.27Å; A432-L436 WeakPolarHBondContact O-CB 3.49Å; A432-L436 VanDerWaalsContact O-CG 3.27Å; A432-L436 WeakPolarHBondContact O-CG 3.45Å; A432-L436 PolarHBondContact O-N 3.1Å; A432-V456 HydrophobicContact CB-CG2 4.38Å
433K84.4Confident84.9Confident61 Ų6168.5 Ų68.527%0.26533%0.328SS..Hα-helixtrans-59.7-41.3177-167.9-175.9-179.9-1750111.9K429 S430 K431 A437 Y453 V456 L457 E461K429-K433 PolarHBondContact O-N 3.11Å; S430-K433 WeakPolarHBondContact O-CB 3.43Å; S430-K433 PolarHBondContact O-N 2.97Å; K431-K433 VanDerWaalsContact C-N 3.3Å; K431-K433 PolarHBondContact O-N 3.32Å; K433-A437 WeakPolarHBondContact O-CB 3.45Å; K433-A437 PolarHBondContact O-N 3.45Å; K433-Y453 HydrophobicContact CG-CE2 4.01Å; K433-V456 HydrophobicContact CB-CG1 4.01Å; K433-L457 HydrophobicContact CD-CD2 4.45Å; K433-E461 IonicContact NZ-OE1 3.98Å; K433-E461 PolarHBondContact NZ-OE1 3.42Å
434E87.9Confident84.8Confident101 Ų10169.8 Ų69.847%0.47234%0.336SS..Hα-helixtrans-67.9-48.1177.8-166.7-166.314000112.4S430 K431 A432 A437 K438S430-E434 PolarHBondContact O-N 2.8Å; K431-E434 PolarHBondContact O-N 2.98Å; A432-E434 VanDerWaalsContact C-N 3.33Å; A432-E434 PolarHBondContact O-N 3.37Å; E434-A437 PolarHBondContact O-N 3.03Å; E434-K438 WeakPolarHBondContact O-CG 3.08Å; E434-K438 PolarHBondContact O-N 3.27Å; E434-K438 VanDerWaalsContact O-N 3.09Å; E434-K438 WeakPolarHBondContact OE1-CE 3.28Å; E434-K438 IonicContact OE1-NZ 3.11Å; E434-K438 PolarHBondContact OE1-NZ 3.28Å
435Y89.2Confident85Confident43 Ų4367.5 Ų67.517%0.16932%0.324CS..Hα-helixtrans-66.2-43.4179.7-72.5-32000112.5M413 L416 Y420 K431 A432 K438 V439M413-Y435 HydrophobicContact CE-CD1 4.41Å; M413-Y435 HydrophobicContact CG-CD1 3.64Å; M413-Y435 HydrophobicContact CG-CG 3.77Å; M413-Y435 HydrophobicContact SD-CD1 3.93Å; L416-Y435 HydrophobicContact CD2-CD2 4.33Å; L416-Y435 HydrophobicContact CD2-CE2 3.65Å; L416-Y435 HydrophobicContact CG-CD2 4.38Å; L416-Y435 HydrophobicContact CG-CE2 4.13Å; Y420-Y435 HydrophobicContact CD2-CD2 4.16Å; Y420-Y435 HydrophobicContact CD2-CE2 4.15Å; Y420-Y435 HydrophobicContact CE2-CD2 4.24Å; Y420-Y435 AromaticContact CE2-CE2 3.75Å; Y420-Y435 HydrophobicContact CE2-CE2 3.75Å; K431-Y435 HydrophobicContact CB-CE2 4.48Å; K431-Y435 PolarHBondContact O-N 3.37Å; A432-Y435 PolarHBondContact O-N 2.61Å; Y435-K438 PolarHBondContact O-N 3.2Å; Y435-V439 WeakPolarHBondContact O-CG2 3.23Å; Y435-V439 PolarHBondContact O-N 2.97Å
436L88Confident85.2Confident0 Ų064.1 Ų64.10%031%0.311CS..Hα-helixtrans-69-34.8178-67.8169.5000111.9A432 V439 V440 E452 Y453 V456A432-L436 VanDerWaalsContact O-CB 3.27Å; A432-L436 WeakPolarHBondContact O-CB 3.49Å; A432-L436 VanDerWaalsContact O-CG 3.27Å; A432-L436 WeakPolarHBondContact O-CG 3.45Å; A432-L436 PolarHBondContact O-N 3.1Å; L436-V439 PolarHBondContact O-N 3.45Å; L436-V440 WeakPolarHBondContact O-CB 3.32Å; L436-V440 WeakPolarHBondContact O-CG2 3.47Å; L436-V440 PolarHBondContact O-N 2.91Å; L436-E452 HydrophobicContact CD1-CB 4.22Å; L436-E452 HydrophobicContact CD2-CB 4.15Å; L436-Y453 HydrophobicContact CB-CD2 3.8Å; L436-Y453 HydrophobicContact CB-CG 4.24Å; L436-V456 HydrophobicContact CD1-CG2 3.79Å
437A88.1Confident85.6Confident20 Ų2059 Ų5917%0.16529%0.289CS..Hα-helixtrans-60.5-48.4171.400000111.6K433 E434 V439 V440 E441 Y453K433-A437 WeakPolarHBondContact O-CB 3.45Å; K433-A437 PolarHBondContact O-N 3.45Å; E434-A437 PolarHBondContact O-N 3.03Å; A437-V439 VanDerWaalsContact C-N 3.35Å; A437-V439 PolarHBondContact O-N 3.07Å; A437-V440 PolarHBondContact O-N 2.79Å; A437-V440 VanDerWaalsContact O-N 3.15Å; A437-E441 WeakPolarHBondContact O-CG 3.44Å; A437-E441 PolarHBondContact O-N 3.28Å; A437-Y453 HydrophobicContact CB-CE2 3.96Å
438K88.2Confident85.6Confident79 Ų7956.2 Ų56.234%0.34328%0.28SS..Hα-helixtrans-58.8-42.3176.1-74.9168.6172.1173.80112.6M413 E434 Y435 E441 M442M413-K438 HydrophobicContact SD-CB 3.63Å; M413-K438 HydrophobicContact SD-CD 3.99Å; M413-K438 HydrophobicContact SD-CG 4.46Å; E434-K438 WeakPolarHBondContact O-CG 3.08Å; E434-K438 PolarHBondContact O-N 3.27Å; E434-K438 VanDerWaalsContact O-N 3.09Å; E434-K438 WeakPolarHBondContact OE1-CE 3.28Å; E434-K438 IonicContact OE1-NZ 3.11Å; E434-K438 PolarHBondContact OE1-NZ 3.28Å; Y435-K438 PolarHBondContact O-N 3.2Å; K438-E441 PolarHBondContact O-N 3.37Å; K438-M442 WeakPolarHBondContact O-CE 3.45Å; K438-M442 WeakPolarHBondContact O-CG 3.32Å; K438-M442 PolarHBondContact O-N 3.48Å
439V89.5Confident85.6Confident0 Ų054.4 Ų54.40%027%0.273CS..Hα-helixtrans-63.9-40.7175.8173.30000111.3M413 K414 Y435 L436 A437 M442 F443 A449M413-V439 HydrophobicContact CB-CG2 3.98Å; M413-V439 HydrophobicContact CG-CG2 3.91Å; M413-V439 HydrophobicContact SD-CG2 4.24Å; K414-V439 HydrophobicContact CB-CG1 4.22Å; K414-V439 HydrophobicContact CB-CG2 4.17Å; K414-V439 HydrophobicContact CG-CG1 4.45Å; Y435-V439 WeakPolarHBondContact O-CG2 3.23Å; Y435-V439 PolarHBondContact O-N 2.97Å; L436-V439 PolarHBondContact O-N 3.45Å; A437-V439 VanDerWaalsContact C-N 3.35Å; A437-V439 PolarHBondContact O-N 3.07Å; V439-M442 PolarHBondContact O-N 3.47Å; V439-F443 PolarHBondContact O-N 3.17Å; V439-A449 HydrophobicContact CG1-CB 3.69Å
440V87.7Confident85.9Confident12 Ų1252.3 Ų52.37%0.07326%0.264CS..Hα-helixtrans-70.1-29.3176.7167.70000112.9L436 A437 A449 L450 Y453 M487L436-V440 WeakPolarHBondContact O-CB 3.32Å; L436-V440 WeakPolarHBondContact O-CG2 3.47Å; L436-V440 PolarHBondContact O-N 2.91Å; A437-V440 PolarHBondContact O-N 2.79Å; A437-V440 VanDerWaalsContact O-N 3.15Å; V440-A449 HydrophobicContact CG2-CB 4.13Å; V440-L450 HydrophobicContact CB-CD2 4.45Å; V440-L450 HydrophobicContact CG1-CD2 3.63Å; V440-L450 HydrophobicContact CG2-CD2 3.94Å; V440-L450 HydrophobicContact CG2-CG 4.48Å; V440-Y453 HydrophobicContact CG2-CD1 4.23Å; V440-Y453 HydrophobicContact CG2-CG 4.44Å; V440-M487 HydrophobicContact CG1-SD 4.08Å
441E88.4Confident86.1Confident157 Ų15750.6 Ų50.673%0.73425%0.249SC*.Hα-helixtrans-70.8-41.1171.8-74.5178170.100112.2A437 K438A437-E441 WeakPolarHBondContact O-CG 3.44Å; A437-E441 PolarHBondContact O-N 3.28Å; K438-E441 PolarHBondContact O-N 3.37Å
442M85.9Confident85.9Confident88 Ų8849.8 Ų49.843%0.43325%0.246SC..Hα-helixtrans-77.4-41.3179.1-68.2-174.6-67.600113.4F410 M413 K438 V439 P444F410-M442 HydrophobicContact CB-CE 3.81Å; M413-M442 HydrophobicContact SD-CE 4.31Å; K438-M442 WeakPolarHBondContact O-CE 3.45Å; K438-M442 WeakPolarHBondContact O-CG 3.32Å; K438-M442 PolarHBondContact O-N 3.48Å; V439-M442 PolarHBondContact O-N 3.47Å; M442-P444 VanDerWaalsContact C-CD 3.41Å; M442-P444 WeakPolarHBondContact O-CD 3.45Å
443F84.6Confident85.9Confident82 Ų8250.9 Ų50.936%0.3625%0.25SS..  trans-120.774-175.5-70.1-84.1000110.6F410 V439 D445 D446F410-F443 HydrophobicContact CB-CD2 4.01Å; F410-F443 HydrophobicContact CB-CE2 3.68Å; F410-F443 AromaticContact CD1-CE2 3.56Å; F410-F443 HydrophobicContact CD1-CE2 3.56Å; F410-F443 AromaticContact CD1-CZ 3.85Å; F410-F443 HydrophobicContact CD1-CZ 3.85Å; F410-F443 AromaticContact CD2-CD2 3.64Å; F410-F443 HydrophobicContact CD2-CD2 3.64Å; F410-F443 HydrophobicContact CD2-CE1 4.5Å; F410-F443 AromaticContact CD2-CE2 3.36Å; F410-F443 HydrophobicContact CD2-CE2 3.36Å; F410-F443 HydrophobicContact CD2-CG 4.35Å; F410-F443 AromaticContact CD2-CZ 3.83Å; F410-F443 HydrophobicContact CD2-CZ 3.83Å; F410-F443 HydrophobicContact CE1-CE2 4.01Å; F410-F443 AromaticContact CE1-CZ 3.8Å; F410-F443 HydrophobicContact CE1-CZ 3.8Å; F410-F443 HydrophobicContact CE2-CD2 4.26Å; F410-F443 HydrophobicContact CE2-CE1 4.19Å; F410-F443 AromaticContact CE2-CE2 3.81Å; F410-F443 HydrophobicContact CE2-CE2 3.81Å; F410-F443 AromaticContact CE2-CZ 3.76Å; F410-F443 HydrophobicContact CE2-CZ 3.76Å; F410-F443 AromaticContact CG-CD2 3.83Å; F410-F443 HydrophobicContact CG-CD2 3.83Å; F410-F443 AromaticContact CG-CE2 3.22Å; F410-F443 HydrophobicContact CG-CE2 3.22Å; F410-F443 AromaticContact CG-CZ 3.88Å; F410-F443 HydrophobicContact CG-CZ 3.88Å; F410-F443 HydrophobicContact CZ-CE1 4.35Å; F410-F443 HydrophobicContact CZ-CE2 4.13Å; F410-F443 AromaticContact CZ-CZ 3.76Å; F410-F443 HydrophobicContact CZ-CZ 3.76Å; V439-F443 PolarHBondContact O-N 3.17Å; F443-D445 PolarHBondContact O-N 3.11Å; F443-D446 HydrophobicContact CB-CB 4.11Å; F443-D446 PolarHBondContact O-N 3.48Å
444P84Confident85.9Confident45 Ų4548 Ų4829%0.29224%0.238SC..THydrogen-bonded Turntrans-56.3-19.3-174.817-31.8000116.2M442 R490M442-P444 VanDerWaalsContact C-CD 3.41Å; M442-P444 WeakPolarHBondContact O-CD 3.45Å; P444-R490 PolarHBondContact O-NE 3.4Å; P444-R490 PolarHBondContact O-NH2 3.44Å
445D83.1Confident85.7Confident103 Ų10345.8 Ų45.855%0.55123%0.234SC*.THydrogen-bonded Turntrans-110.93.5-171.9-53.5-36.6000112.8F443 V447 I494F443-D445 PolarHBondContact O-N 3.11Å; D445-V447 PolarHBondContact O-N 3.3Å; D445-I494 HydrophobicContact CB-CD1 4.48Å
446D83.4Confident85.4Confident35 Ų3544.7 Ų44.719%0.18723%0.232CC..  trans-75.193.8175.2-173.6-24.4000110.8K414 F443 N448 A449 L450K414-D446 WeakPolarHBondContact CE-OD2 3.45Å; K414-D446 IonicContact NZ-OD1 3.95Å; K414-D446 PolarHBondContact NZ-OD1 2.86Å; K414-D446 IonicContact NZ-OD2 2.85Å; K414-D446 PolarHBondContact NZ-OD2 3.13Å; F443-D446 HydrophobicContact CB-CB 4.11Å; F443-D446 PolarHBondContact O-N 3.48Å; D446-N448 PolarHBondContact O-N 2.94Å; D446-N448 PolarHBondContact OD1-N 3.42Å; D446-A449 HydrophobicContact CB-CB 3.91Å; D446-A449 PolarHBondContact O-N 3.13Å; D446-A449 VanDerWaalsContact O-N 3.11Å; D446-A449 PolarHBondContact OD1-N 2.89Å; D446-L450 WeakPolarHBondContact O-CG 3.43Å; D446-L450 PolarHBondContact O-N 3.08Å
447V82.9Confident85Confident11 Ų1145.1 Ų45.17%0.06723%0.234CC..Hα-helixtrans-59.9-33-175.1-1660000112.8D445 L450 I451 A491 I494 Y495D445-V447 PolarHBondContact O-N 3.3Å; V447-L450 PolarHBondContact O-N 3.04Å; V447-I451 HydrophobicContact CG1-CD1 4.03Å; V447-I451 WeakPolarHBondContact O-CG1 3.44Å; V447-I451 PolarHBondContact O-N 2.79Å; V447-A491 HydrophobicContact CG1-CB 3.55Å; V447-I494 HydrophobicContact CG2-CB 3.78Å; V447-I494 HydrophobicContact CG2-CD1 4.13Å; V447-I494 HydrophobicContact CG2-CG2 3.4Å; V447-I494 VanDerWaalsContact CG2-CG2 3.4Å; V447-Y495 HydrophobicContact CB-CE1 4.01Å; V447-Y495 HydrophobicContact CG1-CD1 4.23Å; V447-Y495 HydrophobicContact CG1-CD2 4.12Å; V447-Y495 HydrophobicContact CG1-CE1 3.67Å; V447-Y495 HydrophobicContact CG1-CE2 3.57Å; V447-Y495 HydrophobicContact CG1-CG 4.44Å; V447-Y495 HydrophobicContact CG2-CD1 4.3Å; V447-Y495 HydrophobicContact CG2-CE1 4.09Å
448N82.7Confident84.4Confident95 Ų9546.1 Ų46.151%0.50824%0.235SC..Hα-helixtrans-71.7-41.2178-67.9-26.9000110.9D446 L450 I451 E452D446-N448 PolarHBondContact O-N 2.94Å; D446-N448 PolarHBondContact OD1-N 3.42Å; N448-L450 VanDerWaalsContact C-N 3.31Å; N448-L450 PolarHBondContact O-N 3.35Å; N448-I451 PolarHBondContact O-N 3.44Å; N448-E452 WeakPolarHBondContact O-CG 3.4Å; N448-E452 PolarHBondContact O-N 2.67Å
449A85Confident83.4Confident0 Ų047.2 Ų47.20%024%0.241CC..Hα-helixtrans-62.1-38.5173.500000112.2V439 V440 D446 Y453V439-A449 HydrophobicContact CG1-CB 3.69Å; V440-A449 HydrophobicContact CG2-CB 4.13Å; D446-A449 HydrophobicContact CB-CB 3.91Å; D446-A449 PolarHBondContact O-N 3.13Å; D446-A449 VanDerWaalsContact O-N 3.11Å; D446-A449 PolarHBondContact OD1-N 2.89Å; A449-Y453 WeakPolarHBondContact O-CB 3.47Å; A449-Y453 PolarHBondContact O-N 2.96Å
450L85.7Confident81.9Confident0 Ų055 Ų550%028%0.275CS..Hα-helixtrans-63.7-41.5174.8-68.5170.4000112.8V440 D446 V447 N448 A454 M487 R490 A491 I494V440-L450 HydrophobicContact CB-CD2 4.45Å; V440-L450 HydrophobicContact CG1-CD2 3.63Å; V440-L450 HydrophobicContact CG2-CD2 3.94Å; V440-L450 HydrophobicContact CG2-CG 4.48Å; D446-L450 WeakPolarHBondContact O-CG 3.43Å; D446-L450 PolarHBondContact O-N 3.08Å; V447-L450 PolarHBondContact O-N 3.04Å; N448-L450 VanDerWaalsContact C-N 3.31Å; N448-L450 PolarHBondContact O-N 3.35Å; L450-A454 WeakPolarHBondContact O-CB 3.36Å; L450-A454 PolarHBondContact O-N 3.31Å; L450-M487 HydrophobicContact CD2-CB 4.5Å; L450-M487 HydrophobicContact CD2-SD 3.59Å; L450-M487 VanDerWaalsContact CD2-SD 3.59Å; L450-R490 HydrophobicContact CD1-CB 4.12Å; L450-R490 HydrophobicContact CD1-CG 3.78Å; L450-A491 HydrophobicContact CB-CB 4.49Å; L450-I494 HydrophobicContact CD1-CD1 3.53Å
451I84.6Confident80.1Confident39 Ų3959 Ų5920%0.229%0.293CS..Hα-helixtrans-69.1-44.6179-73.1169000111.4V447 N448 A454 S455 Y488 A491 Y495 L508V447-I451 HydrophobicContact CG1-CD1 4.03Å; V447-I451 WeakPolarHBondContact O-CG1 3.44Å; V447-I451 PolarHBondContact O-N 2.79Å; N448-I451 PolarHBondContact O-N 3.44Å; I451-A454 PolarHBondContact O-N 3.19Å; I451-S455 WeakPolarHBondContact O-CB 3.25Å; I451-S455 PolarHBondContact O-N 3.18Å; I451-Y488 HydrophobicContact CB-CE1 4.43Å; I451-Y488 HydrophobicContact CG1-CD1 4.34Å; I451-Y488 HydrophobicContact CG1-CE1 4.26Å; I451-Y488 HydrophobicContact CG2-CE1 4.32Å; I451-A491 HydrophobicContact CG1-CB 4.21Å; I451-Y495 HydrophobicContact CD1-CE2 4.38Å; I451-L508 HydrophobicContact CG1-CD1 4.48Å
452E84.1Confident77.8Confident74 Ų7455.8 Ų55.835%0.34628%0.284SS..Hα-helixtrans-64.1-45.2176-70.2-63.4163.600111.6L436 N448 A454 S455 V456L436-E452 HydrophobicContact CD1-CB 4.22Å; L436-E452 HydrophobicContact CD2-CB 4.15Å; N448-E452 WeakPolarHBondContact O-CG 3.4Å; N448-E452 PolarHBondContact O-N 2.67Å; E452-A454 PolarHBondContact O-N 2.71Å; E452-S455 VanDerWaalsContact O-CB 3.3Å; E452-S455 WeakPolarHBondContact O-CB 3.2Å; E452-S455 PolarHBondContact O-N 2.69Å; E452-V456 PolarHBondContact O-N 2.71Å
453Y86.4Confident75.5Confident23 Ų2356.4 Ų56.49%0.0929%0.289CS..Hα-helixtrans-61.3-45.2176.3-175.5-133.6000111.5K433 L436 A437 V440 A449 S455 V456 L457 L483 M487K433-Y453 HydrophobicContact CG-CE2 4.01Å; L436-Y453 HydrophobicContact CB-CD2 3.8Å; L436-Y453 HydrophobicContact CB-CG 4.24Å; A437-Y453 HydrophobicContact CB-CE2 3.96Å; V440-Y453 HydrophobicContact CG2-CD1 4.23Å; V440-Y453 HydrophobicContact CG2-CG 4.44Å; A449-Y453 WeakPolarHBondContact O-CB 3.47Å; A449-Y453 PolarHBondContact O-N 2.96Å; Y453-S455 VanDerWaalsContact C-N 3.29Å; Y453-S455 PolarHBondContact O-N 3.25Å; Y453-V456 PolarHBondContact O-N 2.99Å; Y453-L457 HydrophobicContact CD1-CD1 4.09Å; Y453-L457 HydrophobicContact CD2-CD1 4.5Å; Y453-L457 HydrophobicContact CD2-CG 4.44Å; Y453-L457 HydrophobicContact CE1-CD1 3.81Å; Y453-L457 HydrophobicContact CE2-CD1 4.25Å; Y453-L457 HydrophobicContact CE2-CD2 4.26Å; Y453-L457 HydrophobicContact CE2-CG 4.19Å; Y453-L457 HydrophobicContact CG-CD1 4.41Å; Y453-L457 VanDerWaalsContact O-CG 3.3Å; Y453-L457 WeakPolarHBondContact O-CG 3.44Å; Y453-L457 PolarHBondContact O-N 3.4Å; Y453-L483 HydrophobicContact CE1-CD2 4.5Å; Y453-M487 HydrophobicContact CD1-CG 3.87Å; Y453-M487 HydrophobicContact CD1-SD 4.11Å; Y453-M487 HydrophobicContact CE1-CG 4.25Å; Y453-M487 HydrophobicContact CE1-SD 4.37Å
454A84Confident73.2Confident0 Ų057 Ų570%030%0.299CS..Hα-helixtrans-62.6-35.4175.700000112.6L450 I451 E452 L457 Q458 M487 Y488L450-A454 WeakPolarHBondContact O-CB 3.36Å; L450-A454 PolarHBondContact O-N 3.31Å; I451-A454 PolarHBondContact O-N 3.19Å; E452-A454 PolarHBondContact O-N 2.71Å; A454-L457 PolarHBondContact O-N 2.9Å; A454-Q458 VanDerWaalsContact O-CG 3.26Å; A454-Q458 WeakPolarHBondContact O-CG 3.29Å; A454-Q458 PolarHBondContact O-N 3.38Å; A454-Q458 VanDerWaalsContact O-N 3.11Å; A454-M487 HydrophobicContact CB-CB 3.89Å; A454-Y488 HydrophobicContact CB-CD1 3.89Å; A454-Y488 HydrophobicContact CB-CD2 3.84Å; A454-Y488 HydrophobicContact CB-CE1 3.57Å; A454-Y488 HydrophobicContact CB-CE2 3.52Å; A454-Y488 HydrophobicContact CB-CG 4.02Å
455S84Confident70.8Confident56 Ų5660.1 Ų60.139%0.39232%0.32SS..Hα-helixtrans-61.2-50.4173.9-168.60000111.5I451 E452 Y453 L457 Q458 E459 Y488I451-S455 WeakPolarHBondContact O-CB 3.25Å; I451-S455 PolarHBondContact O-N 3.18Å; E452-S455 VanDerWaalsContact O-CB 3.3Å; E452-S455 WeakPolarHBondContact O-CB 3.2Å; E452-S455 PolarHBondContact O-N 2.69Å; Y453-S455 VanDerWaalsContact C-N 3.29Å; Y453-S455 PolarHBondContact O-N 3.25Å; S455-L457 VanDerWaalsContact C-N 3.26Å; S455-L457 PolarHBondContact O-N 3.31Å; S455-Q458 WeakPolarHBondContact O-CB 3.4Å; S455-Q458 PolarHBondContact O-N 3.03Å; S455-E459 PolarHBondContact O-N 3.21Å; S455-Y488 PolarHBondContact N-OH 3.05Å
456V83Confident68.2Low20 Ų2063.2 Ų63.212%0.12134%0.336CS..Hα-helixtrans-60.5-34.8175.6173.50000112A421 A432 K433 L436 E452 Y453 Q458 E459A421-V456 HydrophobicContact CB-CG2 3.39Å; A432-V456 HydrophobicContact CB-CG2 4.38Å; K433-V456 HydrophobicContact CB-CG1 4.01Å; L436-V456 HydrophobicContact CD1-CG2 3.79Å; E452-V456 PolarHBondContact O-N 2.71Å; Y453-V456 PolarHBondContact O-N 2.99Å; V456-Q458 VanDerWaalsContact C-N 3.31Å; V456-Q458 PolarHBondContact O-N 3.34Å; V456-E459 PolarHBondContact O-N 3.18Å
457L80.6Confident65.9Low8 Ų871.3 Ų71.34%0.04237%0.37CS..Hα-helixtrans-71.4-18.7173.4-66.5171.8000113.9K433 Y453 A454 S455 V480 L483 A484K433-L457 HydrophobicContact CD-CD2 4.45Å; Y453-L457 HydrophobicContact CD1-CD1 4.09Å; Y453-L457 HydrophobicContact CD2-CD1 4.5Å; Y453-L457 HydrophobicContact CD2-CG 4.44Å; Y453-L457 HydrophobicContact CE1-CD1 3.81Å; Y453-L457 HydrophobicContact CE2-CD1 4.25Å; Y453-L457 HydrophobicContact CE2-CD2 4.26Å; Y453-L457 HydrophobicContact CE2-CG 4.19Å; Y453-L457 HydrophobicContact CG-CD1 4.41Å; Y453-L457 VanDerWaalsContact O-CG 3.3Å; Y453-L457 WeakPolarHBondContact O-CG 3.44Å; Y453-L457 PolarHBondContact O-N 3.4Å; A454-L457 PolarHBondContact O-N 2.9Å; S455-L457 VanDerWaalsContact C-N 3.26Å; S455-L457 PolarHBondContact O-N 3.31Å; L457-V480 HydrophobicContact CB-CG1 4.15Å; L457-V480 HydrophobicContact CD2-CG1 4.11Å; L457-V480 WeakPolarHBondContact O-CG1 3.31Å; L457-L483 HydrophobicContact CD1-CB 4.26Å; L457-L483 HydrophobicContact CD1-CD2 3.77Å; L457-L483 HydrophobicContact CD1-CG 3.82Å; L457-L483 HydrophobicContact CD2-CD2 4.19Å; L457-A484 HydrophobicContact CB-CB 3.91Å; L457-A484 HydrophobicContact CD1-CB 4.43Å
458Q74.7Confident63.4Low42 Ų4279 Ų7920%0.19641%0.405CS..Hα-helixtrans-78.2-28.6174.6-59.7-155.337.700113.2A454 S455 V456 Y488 L515A454-Q458 VanDerWaalsContact O-CG 3.26Å; A454-Q458 WeakPolarHBondContact O-CG 3.29Å; A454-Q458 PolarHBondContact O-N 3.38Å; A454-Q458 VanDerWaalsContact O-N 3.11Å; S455-Q458 WeakPolarHBondContact O-CB 3.4Å; S455-Q458 PolarHBondContact O-N 3.03Å; V456-Q458 VanDerWaalsContact C-N 3.31Å; V456-Q458 PolarHBondContact O-N 3.34Å; Q458-Y488 PolarHBondContact NE2-OH 3.49Å; Q458-L515 HydrophobicContact CG-CD1 4.39Å; Q458-L515 HydrophobicContact CG-CD2 4.04Å
459E67.7Low60.8Low101 Ų10180.7 Ų80.747%0.47242%0.421SS..SBendtrans-70.9132.8-178.7-165.4171.3-178.600109.5K429 S455 V456 E461K429-E459 WeakPolarHBondContact CD-OE2 3.46Å; K429-E459 IonicContact NZ-OE1 3.68Å; K429-E459 PolarHBondContact NZ-OE1 3.14Å; K429-E459 IonicContact NZ-OE2 2.68Å; K429-E459 PolarHBondContact NZ-OE2 3.02Å; S455-E459 PolarHBondContact O-N 3.21Å; V456-E459 PolarHBondContact O-N 3.18Å; E459-E461 PolarHBondContact O-N 3.48Å
460K57.6Low58.3Low163 Ų16387.5 Ų87.571%0.70946%0.457SS*.  trans-64.7115-171.4-66.6177.8-178173.40110.1T462K460-T462 HydrophobicContact CB-CG2 4.16Å; K460-T462 PolarHBondContact O-N 2.88Å; K460-T462 PolarHBondContact O-OG1 2.87Å
461E49.7Very low55.7Low98 Ų9892.7 Ų92.746%0.45849%0.492SS..  trans-54102.1161.7-67.1-173.6142.600108.1K433 E459K433-E461 IonicContact NZ-OE1 3.98Å; K433-E461 PolarHBondContact NZ-OE1 3.42Å; E459-E461 PolarHBondContact O-N 3.48Å
462T41.1Very low53.5Low88 Ų8893.6 Ų93.654%0.5450%0.5SS..  trans-106.3-3.2-176.435.60000112.7K460K460-T462 HydrophobicContact CB-CG2 4.16Å; K460-T462 PolarHBondContact O-N 2.88Å; K460-T462 PolarHBondContact O-OG1 2.87Å
463D36.9Very low51.8Low101 Ų10193 Ų9354%0.5450%0.502SS..  trans-147.3111.8170.6-66.9-79.7000109.4K426K426-D463 VanDerWaalsContact CD-OD2 3.31Å; K426-D463 WeakPolarHBondContact CD-OD2 3.42Å; K426-D463 WeakPolarHBondContact CE-OD2 3.39Å; K426-D463 IonicContact NZ-OD2 3.92Å; K426-D463 PolarHBondContact NZ-OD2 3.11Å
464V35.5Very low49.8Very low95 Ų9596.2 Ų96.258%0.57652%0.52SS*.  trans-90.8109.8153.8177.60000106.2N466V464-N466 PolarHBondContact O-N 3.03Å
465P34.2Very low48.1Very low111 Ų111104 Ų10472%0.72156%0.556SS**  trans-66.6127.9-171.624.7-33.4000111.7K467P465-K467 PolarHBondContact O-N 3.08Å; P465-K467 VanDerWaalsContact O-N 3.07Å
466N28.8Very low46.5Very low168 Ų168103.6 Ų103.690%0.89855%0.552SS**SBendtrans-38.1108179.7-77.3-57.7000114.1V464V464-N466 PolarHBondContact O-N 3.03Å
467K34.8Very low45.3Very low204 Ų204107.8 Ų107.889%0.88757%0.569SS**SBendtrans-159-15162.2-114.9155.9-170.7174.50117.3P465P465-K467 PolarHBondContact O-N 3.08Å; P465-K467 VanDerWaalsContact O-N 3.07Å
468Q30.8Very low44.5Very low173 Ų173110 Ų11081%0.80858%0.582SS**  trans-142.5128170-68.9-171.5-6.700111.5L470Q468-L470 PolarHBondContact O-N 3.31Å
469P28.7Very low44.2Very low131 Ų131114.1 Ų114.185%0.85160%0.6SS**  trans-9174.1-179.935.8-34.4000112.1
470L31.4Very low44.3Very low142 Ų142110 Ų11074%0.74358%0.581SS**SBendtrans-132.3133.7165.7-85.596.3000111.1Q468 P472Q468-L470 PolarHBondContact O-N 3.31Å; L470-P472 WeakPolarHBondContact O-CD 3.27Å; L470-P472 WeakPolarHBondContact O-CG 3.4Å
471C31.7Very low45.1Very low110 Ų110103 Ų10374%0.74355%0.552SS**  trans-61.3118.4-158.9-50.40000115.9
472P38.6Very low46.6Very low57 Ų57102.7 Ų102.737%0.3755%0.55SS.*  trans-134.860.7179.539.1-18.8000113.7L470 T476L470-P472 WeakPolarHBondContact O-CD 3.27Å; L470-P472 WeakPolarHBondContact O-CG 3.4Å; P472-T476 HydrophobicContact CB-CG2 3.49Å; P472-T476 VanDerWaalsContact CB-CG2 3.49Å; P472-T476 PolarHBondContact O-OG1 3.32Å
473T47.3Very low48.5Very low61 Ų61100 Ų10037%0.37453%0.533SS..SBendtrans-115.9-10.4-178.9-27.80000114.7V738T473-V738 HydrophobicContact CG2-CG1 3.86Å
474L45.7Very low50.8Low91 Ų9195.3 Ų95.348%0.47651%0.507SS..SBendtrans-138.9-39.2-178.7-134.6137.6000112.7T478 L739L474-T478 VanDerWaalsContact O-CB 3.31Å; L474-T478 WeakPolarHBondContact O-CB 3.41Å; L474-T478 PolarHBondContact O-N 2.94Å; L474-T478 PolarHBondContact O-OG1 3.41Å; L474-L739 HydrophobicContact CD1-CD2 4.33Å
475Q47.4Very low53.1Low163 Ų16391.2 Ų91.276%0.76248%0.482SS*.Hα-helixtrans-68.7-44.6173.2-73.6-176.6-22.300112.3T478 F479Q475-T478 PolarHBondContact O-N 3.44Å; Q475-F479 WeakPolarHBondContact O-CB 3.47Å; Q475-F479 PolarHBondContact O-N 3.46Å
476T51.1Low55.6Low49 Ų4991.7 Ų91.730%0.30148%0.475SS..Hα-helixtrans-61.9-49.3173.540.50000112P472 T478 F479 V480P472-T476 HydrophobicContact CB-CG2 3.49Å; P472-T476 VanDerWaalsContact CB-CG2 3.49Å; P472-T476 PolarHBondContact O-OG1 3.32Å; T476-T478 VanDerWaalsContact C-N 3.28Å; T476-T478 PolarHBondContact O-N 2.95Å; T476-F479 PolarHBondContact O-N 3.47Å; T476-F479 VanDerWaalsContact O-N 3.1Å; T476-V480 WeakPolarHBondContact O-CB 3.15Å; T476-V480 WeakPolarHBondContact O-CG2 3.05Å; T476-V480 PolarHBondContact O-N 3.03Å
477F57.4Low58.3Low108 Ų10884.5 Ų84.547%0.47444%0.436SS..Hα-helixtrans-56.8-42.7175.3-178.5-97.5000112L481F477-L481 HydrophobicContact CE1-CD2 4.22Å; F477-L481 WeakPolarHBondContact O-CB 3.47Å; F477-L481 PolarHBondContact O-N 2.82Å
478T63.4Low60.6Low54 Ų5474.9 Ų74.933%0.33139%0.394SS..Hα-helixtrans-63.8-42.3175.6-57.70000111.9L474 Q475 T476 Q482L474-T478 VanDerWaalsContact O-CB 3.31Å; L474-T478 WeakPolarHBondContact O-CB 3.41Å; L474-T478 PolarHBondContact O-N 2.94Å; L474-T478 PolarHBondContact O-OG1 3.41Å; Q475-T478 PolarHBondContact O-N 3.44Å; T476-T478 VanDerWaalsContact C-N 3.28Å; T476-T478 PolarHBondContact O-N 2.95Å; T478-Q482 VanDerWaalsContact CG2-NE2 3.32Å; T478-Q482 WeakPolarHBondContact O-CB 3.5Å; T478-Q482 VanDerWaalsContact O-CD 3.27Å; T478-Q482 WeakPolarHBondContact O-CG 3.08Å; T478-Q482 PolarHBondContact O-N 3.46Å; T478-Q482 PolarHBondContact O-OE1 3.42Å
479F67.9Low63.2Low128 Ų12868.5 Ų68.556%0.56137%0.366SS*.Hα-helixtrans-67.5-45.8178.3176.3-98.5000112.6Q475 T476 Q482 L483Q475-F479 WeakPolarHBondContact O-CB 3.47Å; Q475-F479 PolarHBondContact O-N 3.46Å; T476-F479 PolarHBondContact O-N 3.47Å; T476-F479 VanDerWaalsContact O-N 3.1Å; F479-Q482 CarbonylContact O-C 3.41Å; F479-Q482 PolarHBondContact O-N 2.83Å; F479-L483 HydrophobicContact CE1-CD2 4.48Å; F479-L483 WeakPolarHBondContact O-CB 3.18Å; F479-L483 PolarHBondContact O-N 3.47Å
480V71.5Confident65.9Low14 Ų1466.6 Ų66.69%0.08534%0.341CS..Hα-helixtrans-63.4-42.3177168.80000110.9L457 T476 Q482 L483 A484L457-V480 HydrophobicContact CB-CG1 4.15Å; L457-V480 HydrophobicContact CD2-CG1 4.11Å; L457-V480 WeakPolarHBondContact O-CG1 3.31Å; T476-V480 WeakPolarHBondContact O-CB 3.15Å; T476-V480 WeakPolarHBondContact O-CG2 3.05Å; T476-V480 PolarHBondContact O-N 3.03Å; V480-Q482 VanDerWaalsContact C-N 3.34Å; V480-Q482 PolarHBondContact O-N 3.05Å; V480-L483 PolarHBondContact O-N 3.07Å; V480-A484 WeakPolarHBondContact O-CB 3.44Å; V480-A484 PolarHBondContact O-N 3.32Å
481L73.9Confident68.4Low16 Ų1659.8 Ų59.88%0.08431%0.306CS..Hα-helixtrans-60.7-42172.6177.860.1000111.9F477 I485 L515 R518 A519F477-L481 HydrophobicContact CE1-CD2 4.22Å; F477-L481 WeakPolarHBondContact O-CB 3.47Å; F477-L481 PolarHBondContact O-N 2.82Å; L481-I485 HydrophobicContact CD1-CD1 4.25Å; L481-I485 HydrophobicContact CG-CD1 4.2Å; L481-I485 WeakPolarHBondContact O-CB 3.34Å; L481-I485 WeakPolarHBondContact O-CD1 3.39Å; L481-I485 VanDerWaalsContact O-CG1 3.23Å; L481-I485 WeakPolarHBondContact O-CG1 3.43Å; L481-I485 PolarHBondContact O-N 2.93Å; L481-L515 HydrophobicContact CD1-CB 3.96Å; L481-L515 HydrophobicContact CD1-CD2 3.69Å; L481-L515 HydrophobicContact CD1-CG 4.27Å; L481-R518 HydrophobicContact CD1-CB 4.34Å; L481-R518 HydrophobicContact CD2-CB 4.3Å; L481-A519 HydrophobicContact CD2-CB 3.97Å; L481-A519 HydrophobicContact CG-CB 4.48Å
482Q79.9Confident70.6Confident92 Ų9255 Ų5543%0.4327%0.274SS..Hα-helixtrans-69.3-37.1177.3-74.8164.2-5.800112.5T478 F479 V480 I485 E486T478-Q482 VanDerWaalsContact CG2-NE2 3.32Å; T478-Q482 WeakPolarHBondContact O-CB 3.5Å; T478-Q482 VanDerWaalsContact O-CD 3.27Å; T478-Q482 WeakPolarHBondContact O-CG 3.08Å; T478-Q482 PolarHBondContact O-N 3.46Å; T478-Q482 PolarHBondContact O-OE1 3.42Å; F479-Q482 CarbonylContact O-C 3.41Å; F479-Q482 PolarHBondContact O-N 2.83Å; V480-Q482 VanDerWaalsContact C-N 3.34Å; V480-Q482 PolarHBondContact O-N 3.05Å; Q482-I485 PolarHBondContact O-N 3.42Å; Q482-E486 PolarHBondContact O-N 3.36Å
483L82.9Confident72.7Confident33 Ų3358.9 Ų58.917%0.17329%0.285CS..Hα-helixtrans-65.9-44.6175.1-17167.6000111.3Y453 L457 F479 V480 I485 E486 M487Y453-L483 HydrophobicContact CE1-CD2 4.5Å; L457-L483 HydrophobicContact CD1-CB 4.26Å; L457-L483 HydrophobicContact CD1-CD2 3.77Å; L457-L483 HydrophobicContact CD1-CG 3.82Å; L457-L483 HydrophobicContact CD2-CD2 4.19Å; F479-L483 HydrophobicContact CE1-CD2 4.48Å; F479-L483 WeakPolarHBondContact O-CB 3.18Å; F479-L483 PolarHBondContact O-N 3.47Å; V480-L483 PolarHBondContact O-N 3.07Å; L483-I485 VanDerWaalsContact C-N 3.34Å; L483-I485 PolarHBondContact O-N 3.19Å; L483-E486 WeakPolarHBondContact O-CB 3.41Å; L483-E486 PolarHBondContact O-N 3.45Å; L483-E486 VanDerWaalsContact O-N 3.12Å; L483-M487 HydrophobicContact CD1-CE 3.67Å; L483-M487 HydrophobicContact CG-CE 4.31Å; L483-M487 WeakPolarHBondContact O-CG 3.43Å; L483-M487 PolarHBondContact O-N 3.12Å
484A83.9Confident74.4Confident1 Ų156.3 Ų56.31%0.00827%0.269CS..Hα-helixtrans-61-42.117400000111.9L457 V480 E486 M487 Y488 L515L457-A484 HydrophobicContact CB-CB 3.91Å; L457-A484 HydrophobicContact CD1-CB 4.43Å; V480-A484 WeakPolarHBondContact O-CB 3.44Å; V480-A484 PolarHBondContact O-N 3.32Å; A484-E486 VanDerWaalsContact C-N 3.34Å; A484-E486 PolarHBondContact O-N 2.93Å; A484-M487 PolarHBondContact O-N 3.39Å; A484-Y488 VanDerWaalsContact O-CD2 3.23Å; A484-Y488 WeakPolarHBondContact O-CD2 3.35Å; A484-Y488 PolarHBondContact O-N 3.46Å; A484-L515 HydrophobicContact CB-CD1 3.7Å
485I83.8Confident75.9Confident10 Ų1053.4 Ų53.45%0.05125%0.251CS..Hα-helixtrans-60.5-41.8172.1-72.8167.1000110.9L481 Q482 L483 N489 L512 L515 Y516 A519L481-I485 HydrophobicContact CD1-CD1 4.25Å; L481-I485 HydrophobicContact CG-CD1 4.2Å; L481-I485 WeakPolarHBondContact O-CB 3.34Å; L481-I485 WeakPolarHBondContact O-CD1 3.39Å; L481-I485 VanDerWaalsContact O-CG1 3.23Å; L481-I485 WeakPolarHBondContact O-CG1 3.43Å; L481-I485 PolarHBondContact O-N 2.93Å; Q482-I485 PolarHBondContact O-N 3.42Å; L483-I485 VanDerWaalsContact C-N 3.34Å; L483-I485 PolarHBondContact O-N 3.19Å; I485-N489 VanDerWaalsContact CG2-ND2 3.33Å; I485-N489 WeakPolarHBondContact CG2-ND2 3.47Å; I485-N489 WeakPolarHBondContact O-CB 3.39Å; I485-N489 PolarHBondContact O-N 2.84Å; I485-N489 PolarHBondContact O-ND2 3.05Å; I485-L512 HydrophobicContact CG2-CD1 4.45Å; I485-L515 HydrophobicContact CD1-CB 4.05Å; I485-L515 HydrophobicContact CG1-CB 3.64Å; I485-L515 HydrophobicContact CG1-CD1 3.99Å; I485-Y516 HydrophobicContact CD1-CD1 4.05Å; I485-Y516 HydrophobicContact CD1-CE1 4.26Å; I485-Y516 HydrophobicContact CG1-CE1 4.47Å; I485-Y516 HydrophobicContact CG2-CD1 4.36Å; I485-Y516 HydrophobicContact CG2-CE1 3.54Å; I485-A519 HydrophobicContact CD1-CB 4.11Å
486E86.2Confident77.2Confident121 Ų12151 Ų5157%0.56524%0.239SC*.Hα-helixtrans-63.7-46.1177.4-177.2170-16600112.1Q482 L483 A484 Y488 N489 R490Q482-E486 PolarHBondContact O-N 3.36Å; L483-E486 WeakPolarHBondContact O-CB 3.41Å; L483-E486 PolarHBondContact O-N 3.45Å; L483-E486 VanDerWaalsContact O-N 3.12Å; A484-E486 VanDerWaalsContact C-N 3.34Å; A484-E486 PolarHBondContact O-N 2.93Å; E486-Y488 PolarHBondContact O-N 3.33Å; E486-N489 PolarHBondContact O-N 3.43Å; E486-R490 WeakPolarHBondContact O-CB 3.34Å; E486-R490 PolarHBondContact O-N 3.47Å
487M85.8Confident78.5Confident17 Ų1755.7 Ų55.78%0.08426%0.257CS..Hα-helixtrans-61.9-44178.6-64.2-54.6132.100112.1V440 L450 Y453 A454 L483 A484 R490 A491V440-M487 HydrophobicContact CG1-SD 4.08Å; L450-M487 HydrophobicContact CD2-CB 4.5Å; L450-M487 HydrophobicContact CD2-SD 3.59Å; L450-M487 VanDerWaalsContact CD2-SD 3.59Å; Y453-M487 HydrophobicContact CD1-CG 3.87Å; Y453-M487 HydrophobicContact CD1-SD 4.11Å; Y453-M487 HydrophobicContact CE1-CG 4.25Å; Y453-M487 HydrophobicContact CE1-SD 4.37Å; A454-M487 HydrophobicContact CB-CB 3.89Å; L483-M487 HydrophobicContact CD1-CE 3.67Å; L483-M487 HydrophobicContact CG-CE 4.31Å; L483-M487 WeakPolarHBondContact O-CG 3.43Å; L483-M487 PolarHBondContact O-N 3.12Å; A484-M487 PolarHBondContact O-N 3.39Å; M487-R490 WeakPolarHBondContact O-CB 3.38Å; M487-R490 PolarHBondContact O-N 3Å; M487-A491 PolarHBondContact O-N 3.06Å
488Y84.6Confident79.1Confident2 Ų255 Ų551%0.00826%0.257CS..Hα-helixtrans-66.9-38.4173.8-71.9-51.4000112.8I451 A454 S455 Q458 A484 E486 R490 A491 C492 L508 L515I451-Y488 HydrophobicContact CB-CE1 4.43Å; I451-Y488 HydrophobicContact CG1-CD1 4.34Å; I451-Y488 HydrophobicContact CG1-CE1 4.26Å; I451-Y488 HydrophobicContact CG2-CE1 4.32Å; A454-Y488 HydrophobicContact CB-CD1 3.89Å; A454-Y488 HydrophobicContact CB-CD2 3.84Å; A454-Y488 HydrophobicContact CB-CE1 3.57Å; A454-Y488 HydrophobicContact CB-CE2 3.52Å; A454-Y488 HydrophobicContact CB-CG 4.02Å; S455-Y488 PolarHBondContact N-OH 3.05Å; Q458-Y488 PolarHBondContact NE2-OH 3.49Å; A484-Y488 VanDerWaalsContact O-CD2 3.23Å; A484-Y488 WeakPolarHBondContact O-CD2 3.35Å; A484-Y488 PolarHBondContact O-N 3.46Å; E486-Y488 PolarHBondContact O-N 3.33Å; Y488-R490 PolarHBondContact O-N 3.31Å; Y488-A491 WeakPolarHBondContact O-CB 3.31Å; Y488-A491 PolarHBondContact O-N 2.89Å; Y488-C492 PolarHBondContact O-N 3.18Å; Y488-C492 PolarHBondContact O-SG 2.86Å; Y488-L508 HydrophobicContact CD1-CD1 3.32Å; Y488-L508 HydrophobicContact CE1-CD1 4.02Å; Y488-L508 HydrophobicContact CG-CD1 3.99Å; Y488-L515 HydrophobicContact CD2-CD1 3.77Å; Y488-L515 HydrophobicContact CE2-CD1 3.76Å
489N84.4Confident78.8Confident38 Ų3859.2 Ų59.220%0.20328%0.277CS..Hα-helixtrans-64.4-30.3172.8-82.5-73.2000112.3I485 E486 K493 Y516I485-N489 VanDerWaalsContact CG2-ND2 3.33Å; I485-N489 WeakPolarHBondContact CG2-ND2 3.47Å; I485-N489 WeakPolarHBondContact O-CB 3.39Å; I485-N489 PolarHBondContact O-N 2.84Å; I485-N489 PolarHBondContact O-ND2 3.05Å; E486-N489 PolarHBondContact O-N 3.43Å; N489-K493 VanDerWaalsContact O-CG 3.27Å; N489-K493 WeakPolarHBondContact O-CG 3.34Å; N489-K493 PolarHBondContact O-N 2.89Å; N489-K493 VanDerWaalsContact O-N 3.11Å; N489-Y516 PolarHBondContact ND2-OH 2.92Å; N489-Y516 PolarHBondContact OD1-OH 2.86Å
490R84.8Confident78.2Confident91 Ų9159 Ų5934%0.34328%0.278SS..Hα-helixtrans-68.9-47.5173-169.2-179.2-173.3151.816.4111P444 L450 E486 M487 Y488 C492 K493 I494P444-R490 PolarHBondContact O-NE 3.4Å; P444-R490 PolarHBondContact O-NH2 3.44Å; L450-R490 HydrophobicContact CD1-CB 4.12Å; L450-R490 HydrophobicContact CD1-CG 3.78Å; E486-R490 WeakPolarHBondContact O-CB 3.34Å; E486-R490 PolarHBondContact O-N 3.47Å; M487-R490 WeakPolarHBondContact O-CB 3.38Å; M487-R490 PolarHBondContact O-N 3Å; Y488-R490 PolarHBondContact O-N 3.31Å; R490-C492 PolarHBondContact O-N 3.33Å; R490-K493 WeakPolarHBondContact O-CB 3.33Å; R490-K493 PolarHBondContact O-N 3.31Å; R490-I494 HydrophobicContact CG-CD1 4.05Å; R490-I494 WeakPolarHBondContact O-CG1 3.41Å; R490-I494 PolarHBondContact O-N 3Å
491A83.6Confident77.2Confident0 Ų064.4 Ų64.40%031%0.311CS..Hα-helixtrans-52.9-50.1171.500000112.1V447 L450 I451 M487 Y488 K493 I494 Y495V447-A491 HydrophobicContact CG1-CB 3.55Å; L450-A491 HydrophobicContact CB-CB 4.49Å; I451-A491 HydrophobicContact CG1-CB 4.21Å; M487-A491 PolarHBondContact O-N 3.06Å; Y488-A491 WeakPolarHBondContact O-CB 3.31Å; Y488-A491 PolarHBondContact O-N 2.89Å; A491-K493 PolarHBondContact O-N 3Å; A491-I494 PolarHBondContact O-N 3.36Å; A491-Y495 PolarHBondContact O-N 2.99Å
492C79.6Confident76.1Confident10 Ų1071 Ų717%0.06834%0.342CS..Hα-helixtrans-63-23.3176-66.70000114.5Y488 R490 K496 W509Y488-C492 PolarHBondContact O-N 3.18Å; Y488-C492 PolarHBondContact O-SG 2.86Å; R490-C492 PolarHBondContact O-N 3.33Å; C492-K496 WeakPolarHBondContact O-CD 3.5Å; C492-K496 VanDerWaalsContact O-CG 3.26Å; C492-K496 WeakPolarHBondContact O-CG 3.33Å; C492-W509 HydrophobicContact CB-CH2 4.38Å
493K82.8Confident74.9Confident137 Ų13769.3 Ų69.360%0.59634%0.335SS*.Hα-helixtrans-78-43.9173.3-76.6166.2-177.5175.40111.2N489 R490 A491 K496 Q497N489-K493 VanDerWaalsContact O-CG 3.27Å; N489-K493 WeakPolarHBondContact O-CG 3.34Å; N489-K493 PolarHBondContact O-N 2.89Å; N489-K493 VanDerWaalsContact O-N 3.11Å; R490-K493 WeakPolarHBondContact O-CB 3.33Å; R490-K493 PolarHBondContact O-N 3.31Å; A491-K493 PolarHBondContact O-N 3Å; K493-K496 PolarHBondContact O-N 3.21Å; K493-Q497 WeakPolarHBondContact O-CG 3.38Å; K493-Q497 PolarHBondContact O-N 3.24Å; K493-Q497 VanDerWaalsContact O-N 3.11Å
494I81.8Confident74.1Confident8 Ų870.8 Ų70.84%0.04134%0.341CS..Hα-helixtrans-64.7-46.3-178.8-62.4155.5000110.4D445 V447 L450 R490 A491 K496 Q497 M498D445-I494 HydrophobicContact CB-CD1 4.48Å; V447-I494 HydrophobicContact CG2-CB 3.78Å; V447-I494 HydrophobicContact CG2-CD1 4.13Å; V447-I494 HydrophobicContact CG2-CG2 3.4Å; V447-I494 VanDerWaalsContact CG2-CG2 3.4Å; L450-I494 HydrophobicContact CD1-CD1 3.53Å; R490-I494 HydrophobicContact CG-CD1 4.05Å; R490-I494 WeakPolarHBondContact O-CG1 3.41Å; R490-I494 PolarHBondContact O-N 3Å; A491-I494 PolarHBondContact O-N 3.36Å; I494-K496 PolarHBondContact O-N 3.47Å; I494-Q497 WeakPolarHBondContact O-CA 3.24Å; I494-Q497 WeakPolarHBondContact O-CB 3.26Å; I494-Q497 PolarHBondContact O-N 3.39Å; I494-M498 HydrophobicContact CG2-CE 3.56Å; I494-M498 HydrophobicContact CG2-CG 4.46Å; I494-M498 HydrophobicContact CG2-SD 3.93Å; I494-M498 WeakPolarHBondContact O-CG 3.35Å; I494-M498 PolarHBondContact O-N 2.96Å
495Y76.6Confident73.8Confident29 Ų2971.9 Ų71.911%0.11435%0.348CS..Hα-helixtrans-57.5-36.4174.4-72.1-37.7000113V447 I451 A491 Q497 M498 I503 L508V447-Y495 HydrophobicContact CB-CE1 4.01Å; V447-Y495 HydrophobicContact CG1-CD1 4.23Å; V447-Y495 HydrophobicContact CG1-CD2 4.12Å; V447-Y495 HydrophobicContact CG1-CE1 3.67Å; V447-Y495 HydrophobicContact CG1-CE2 3.57Å; V447-Y495 HydrophobicContact CG1-CG 4.44Å; V447-Y495 HydrophobicContact CG2-CD1 4.3Å; V447-Y495 HydrophobicContact CG2-CE1 4.09Å; I451-Y495 HydrophobicContact CD1-CE2 4.38Å; A491-Y495 PolarHBondContact O-N 2.99Å; Y495-Q497 VanDerWaalsContact C-N 3.31Å; Y495-Q497 PolarHBondContact O-N 3.17Å; Y495-M498 PolarHBondContact O-N 2.89Å; Y495-I503 HydrophobicContact CD1-CB 3.86Å; Y495-I503 HydrophobicContact CD1-CD1 4.04Å; Y495-I503 HydrophobicContact CD1-CG1 4.47Å; Y495-I503 HydrophobicContact CD1-CG2 4.09Å; Y495-I503 HydrophobicContact CE1-CB 3.75Å; Y495-I503 HydrophobicContact CE1-CD1 4.02Å; Y495-I503 HydrophobicContact CE1-CG1 4.49Å; Y495-I503 HydrophobicContact CE1-CG2 3.43Å; Y495-I503 VanDerWaalsContact CE1-CG2 3.43Å; Y495-I503 HydrophobicContact CG-CB 4.48Å; Y495-L508 HydrophobicContact CD2-CD2 3.93Å; Y495-L508 HydrophobicContact CE2-CD2 3.76Å
496K75.5Confident73.8Confident114 Ų11471.5 Ų71.550%0.49635%0.346SS..Hα-helixtrans-71.7-21.1174.6-73.1175.9-177.3-176.50114.2C492 K493 I494C492-K496 WeakPolarHBondContact O-CD 3.5Å; C492-K496 VanDerWaalsContact O-CG 3.26Å; C492-K496 WeakPolarHBondContact O-CG 3.33Å; K493-K496 PolarHBondContact O-N 3.21Å; I494-K496 PolarHBondContact O-N 3.47Å
497Q77.7Confident73.8Confident146 Ų14668.4 Ų68.468%0.68233%0.332SS*.Hα-helixtrans-85.8-29.4175.6-72171.3-41.200112.1K493 I494 Y495 N499K493-Q497 WeakPolarHBondContact O-CG 3.38Å; K493-Q497 PolarHBondContact O-N 3.24Å; K493-Q497 VanDerWaalsContact O-N 3.11Å; I494-Q497 WeakPolarHBondContact O-CA 3.24Å; I494-Q497 WeakPolarHBondContact O-CB 3.26Å; I494-Q497 PolarHBondContact O-N 3.39Å; Y495-Q497 VanDerWaalsContact C-N 3.31Å; Y495-Q497 PolarHBondContact O-N 3.17Å; Q497-N499 PolarHBondContact O-N 3.3Å
498M71Confident73.8Confident95 Ų9567.9 Ų67.947%0.46833%0.33SS..Hα-helixtrans-71.2-13.3177.8-71.6171.6168.300113.6I494 Y495 E500I494-M498 HydrophobicContact CG2-CE 3.56Å; I494-M498 HydrophobicContact CG2-CG 4.46Å; I494-M498 HydrophobicContact CG2-SD 3.93Å; I494-M498 WeakPolarHBondContact O-CG 3.35Å; I494-M498 PolarHBondContact O-N 2.96Å; Y495-M498 PolarHBondContact O-N 2.89Å; M498-E500 PolarHBondContact O-N 3.34Å
499N57.4Low73.9Confident142 Ų14268 Ų6876%0.75933%0.33SS*.  trans58.2-6.2-178.5-80.5-23.4000116.6Q497 T501Q497-N499 PolarHBondContact O-N 3.3Å; N499-T501 PolarHBondContact O-N 2.95Å; N499-T501 VanDerWaalsContact O-N 3.11Å
500E53.6Low74.1Confident122 Ų12266.9 Ų66.957%0.5732%0.324SS*.  trans-71.5101.4175.3-71.8172.1-178.500110.5M498 E502 I503M498-E500 PolarHBondContact O-N 3.34Å; E500-E502 PolarHBondContact O-N 3.28Å; E500-I503 HydrophobicContact CB-CD1 4.26Å; E500-I503 HydrophobicContact CB-CG1 4.13Å; E500-I503 PolarHBondContact O-N 3.27Å
501T51Low74.2Confident129 Ų12965.1 Ų65.179%0.79132%0.321SS*.THydrogen-bonded Turntrans-60.4-9.2177.644.40000114N499N499-T501 PolarHBondContact O-N 2.95Å; N499-T501 VanDerWaalsContact O-N 3.11Å
502E50.5Low74.3Confident155 Ų15565.1 Ų65.172%0.72432%0.321SS*.THydrogen-bonded Turntrans-80.8-22.3-175-55.2-168158.800113.1E500 K546E500-E502 PolarHBondContact O-N 3.28Å; E502-K546 WeakPolarHBondContact O-CE 3.3Å; E502-K546 PolarHBondContact O-NZ 2.75Å
503I54.9Low74.5Confident56 Ų5664.6 Ų64.629%0.28732%0.318SS..  trans-98.87.1-171.1-16178.3000115.2Y495 E500 S505Y495-I503 HydrophobicContact CD1-CB 3.86Å; Y495-I503 HydrophobicContact CD1-CD1 4.04Å; Y495-I503 HydrophobicContact CD1-CG1 4.47Å; Y495-I503 HydrophobicContact CD1-CG2 4.09Å; Y495-I503 HydrophobicContact CE1-CB 3.75Å; Y495-I503 HydrophobicContact CE1-CD1 4.02Å; Y495-I503 HydrophobicContact CE1-CG1 4.49Å; Y495-I503 HydrophobicContact CE1-CG2 3.43Å; Y495-I503 VanDerWaalsContact CE1-CG2 3.43Å; Y495-I503 HydrophobicContact CG-CB 4.48Å; E500-I503 HydrophobicContact CB-CD1 4.26Å; E500-I503 HydrophobicContact CB-CG1 4.13Å; E500-I503 PolarHBondContact O-N 3.27Å; I503-S505 PolarHBondContact O-N 3.26Å
504E66Low74.7Confident64 Ų6459 Ų5930%0.29930%0.296SS..  trans-67.7104.6166.3-70.3-154135.700110T542 K546E504-T542 HydrophobicContact CB-CG2 3.87Å; E504-T542 WeakPolarHBondContact OE2-CG2 3.43Å; E504-K546 WeakPolarHBondContact O-CE 3.28Å; E504-K546 PolarHBondContact O-NZ 3.42Å
505S77.9Confident74.8Confident24 Ų2458.7 Ų58.717%0.16829%0.294CS..  trans-90.7123.5178.738.70000111.1I503 E507 L508 W509I503-S505 PolarHBondContact O-N 3.26Å; S505-E507 VanDerWaalsContact CB-OE2 3.22Å; S505-E507 WeakPolarHBondContact CB-OE2 3.24Å; S505-E507 PolarHBondContact O-N 3.5Å; S505-L508 WeakPolarHBondContact O-CB 3.28Å; S505-L508 PolarHBondContact O-N 3.2Å; S505-L508 VanDerWaalsContact OG-CB 3.25Å; S505-L508 WeakPolarHBondContact OG-CB 3.34Å; S505-W509 PolarHBondContact O-N 2.75Å
506P85.1Confident75.1Confident1 Ų157.4 Ų57.41%0.00629%0.289CS..Hα-helixtrans-61.1-26.8175.724.8-34.7000112.8W509 N510 A539 T542 A543 F554 I557P506-W509 PolarHBondContact O-N 3.42Å; P506-N510 VanDerWaalsContact O-CB 3.27Å; P506-N510 WeakPolarHBondContact O-CB 3.33Å; P506-N510 PolarHBondContact O-N 2.92Å; P506-A539 HydrophobicContact CB-CB 4.49Å; P506-A539 WeakPolarHBondContact CB-O 3.09Å; P506-T542 WeakPolarHBondContact CA-OG1 3.23Å; P506-T542 WeakPolarHBondContact CB-OG1 3.21Å; P506-A543 HydrophobicContact CB-CB 3.89Å; P506-A543 HydrophobicContact CG-CB 4.08Å; P506-F554 HydrophobicContact CG-CD1 4.08Å; P506-F554 HydrophobicContact CG-CE1 3.93Å; P506-I557 HydrophobicContact CB-CG2 4.05Å; P506-I557 HydrophobicContact CG-CD1 4.29Å; P506-I557 HydrophobicContact CG-CG2 4.23Å
507E86Confident75.5Confident56 Ų5654 Ų5426%0.26227%0.274SS..Hα-helixtrans-62.4-43.7175.3-53.689.1157.300111.7S505 N510 N511 Y553 I557S505-E507 VanDerWaalsContact CB-OE2 3.22Å; S505-E507 WeakPolarHBondContact CB-OE2 3.24Å; S505-E507 PolarHBondContact O-N 3.5Å; E507-N510 PolarHBondContact O-N 3.03Å; E507-N511 VanDerWaalsContact O-CB 3.3Å; E507-N511 WeakPolarHBondContact O-CB 3.47Å; E507-N511 PolarHBondContact O-N 2.95Å; E507-N511 PolarHBondContact O-ND2 3.29Å; E507-Y553 VanDerWaalsContact OE1-CE1 3.31Å; E507-Y553 WeakPolarHBondContact OE1-CE1 3.19Å; E507-Y553 PolarHBondContact OE1-OH 3.43Å; E507-I557 HydrophobicContact CG-CD1 3.91Å; E507-I557 WeakPolarHBondContact OE1-CD1 3.27Å
508L84.8Confident75.6Confident7 Ų753.3 Ų53.34%0.03727%0.266CS..Hα-helixtrans-62.5-46.8176172.759.3000111.1I451 Y488 Y495 S505 N511 L512I451-L508 HydrophobicContact CG1-CD1 4.48Å; Y488-L508 HydrophobicContact CD1-CD1 3.32Å; Y488-L508 HydrophobicContact CE1-CD1 4.02Å; Y488-L508 HydrophobicContact CG-CD1 3.99Å; Y495-L508 HydrophobicContact CD2-CD2 3.93Å; Y495-L508 HydrophobicContact CE2-CD2 3.76Å; S505-L508 WeakPolarHBondContact O-CB 3.28Å; S505-L508 PolarHBondContact O-N 3.2Å; S505-L508 VanDerWaalsContact OG-CB 3.25Å; S505-L508 WeakPolarHBondContact OG-CB 3.34Å; L508-N511 PolarHBondContact O-N 2.86Å; L508-L512 VanDerWaalsContact O-CB 3.29Å; L508-L512 WeakPolarHBondContact O-CB 3.22Å; L508-L512 PolarHBondContact O-N 2.98Å
509W86.6Confident75.9Confident4 Ų450.4 Ų50.42%0.01526%0.257CS..Hα-helixtrans-64.8-40.3177.5-73.1124.5000112.4C492 S505 P506 L512 G513 L530 C535 R538 A539C492-W509 HydrophobicContact CB-CH2 4.38Å; S505-W509 PolarHBondContact O-N 2.75Å; P506-W509 PolarHBondContact O-N 3.42Å; W509-L512 HydrophobicContact CE3-CD2 4.23Å; W509-L512 HydrophobicContact CZ3-CD2 4.05Å; W509-G513 PolarHBondContact O-N 3.02Å; W509-L530 HydrophobicContact CH2-CD1 4.15Å; W509-L530 HydrophobicContact CZ3-CD1 3.89Å; W509-C535 HydrophobicContact CE3-CB 4.33Å; W509-R538 HydrophobicContact CD2-CB 3.98Å; W509-R538 HydrophobicContact CG-CB 3.97Å; W509-A539 HydrophobicContact CB-CB 3.74Å
510N89.5Confident76.9Confident14 Ų1451 Ų518%0.07525%0.252CS..Hα-helixtrans-64.8-43.3175.4-177.959.8000112.4P506 E507 S514 F536 A539 V561 N564P506-N510 VanDerWaalsContact O-CB 3.27Å; P506-N510 WeakPolarHBondContact O-CB 3.33Å; P506-N510 PolarHBondContact O-N 2.92Å; E507-N510 PolarHBondContact O-N 3.03Å; N510-S514 WeakPolarHBondContact O-CB 3.46Å; N510-S514 PolarHBondContact O-N 3.34Å; N510-S514 PolarHBondContact O-OG 3.42Å; N510-F536 WeakPolarHBondContact O-CE1 3.45Å; N510-F536 WeakPolarHBondContact OD1-CE1 3.37Å; N510-A539 HydrophobicContact CB-CB 4.33Å; N510-V561 HydrophobicContact CB-CG2 3.9Å; N510-N564 PolarHBondContact OD1-ND2 3.13Å
511N87.2Confident78Confident54 Ų5450.7 Ų50.729%0.28925%0.246SC..Hα-helixtrans-67.2-44.9178.5-73-13.6000111.2E507 L508 S514 L515E507-N511 VanDerWaalsContact O-CB 3.3Å; E507-N511 WeakPolarHBondContact O-CB 3.47Å; E507-N511 PolarHBondContact O-N 2.95Å; E507-N511 PolarHBondContact O-ND2 3.29Å; L508-N511 PolarHBondContact O-N 2.86Å; N511-S514 WeakPolarHBondContact O-CB 3.48Å; N511-S514 PolarHBondContact O-N 3.18Å; N511-L515 WeakPolarHBondContact O-CG 3.37Å; N511-L515 PolarHBondContact O-N 3.46Å
512L85Confident79.1Confident0 Ų047.7 Ų47.70%022%0.221CC..Hα-helixtrans-62-44176-178.957.7000112I485 L508 W509 S514 L515 Y516I485-L512 HydrophobicContact CG2-CD1 4.45Å; L508-L512 VanDerWaalsContact O-CB 3.29Å; L508-L512 WeakPolarHBondContact O-CB 3.22Å; L508-L512 PolarHBondContact O-N 2.98Å; W509-L512 HydrophobicContact CE3-CD2 4.23Å; W509-L512 HydrophobicContact CZ3-CD2 4.05Å; L512-S514 VanDerWaalsContact C-N 3.34Å; L512-S514 PolarHBondContact O-N 3.43Å; L512-L515 PolarHBondContact O-N 2.88Å; L512-Y516 HydrophobicContact CD1-CD2 4.09Å; L512-Y516 HydrophobicContact CD1-CE2 3.55Å; L512-Y516 HydrophobicContact CD2-CE2 4.11Å; L512-Y516 HydrophobicContact CG-CD2 4Å; L512-Y516 HydrophobicContact CG-CE2 3.57Å; L512-Y516 WeakPolarHBondContact O-CD2 3.37Å; L512-Y516 PolarHBondContact O-N 2.91Å
513G84.7Confident79.9Confident0 Ų044.5 Ų44.50%021%0.212CC..Hα-helixtrans-59.5-42.7172.500000112.5W509 L515 Y516 F517 D532W509-G513 PolarHBondContact O-N 3.02Å; G513-L515 VanDerWaalsContact C-N 3.3Å; G513-L515 PolarHBondContact O-N 3.16Å; G513-Y516 PolarHBondContact O-N 3.14Å; G513-F517 WeakPolarHBondContact O-CB 3.42Å; G513-F517 PolarHBondContact O-N 3.42Å; G513-D532 WeakPolarHBondContact O-CB 3.41Å
514S85.9Confident80.1Confident19 Ų1945.2 Ų45.213%0.13322%0.217CC..Hα-helixtrans-62.7-34176.8-60.60000112.9N510 N511 L512 R518 N564N510-S514 WeakPolarHBondContact O-CB 3.46Å; N510-S514 PolarHBondContact O-N 3.34Å; N510-S514 PolarHBondContact O-OG 3.42Å; N511-S514 WeakPolarHBondContact O-CB 3.48Å; N511-S514 PolarHBondContact O-N 3.18Å; L512-S514 VanDerWaalsContact C-N 3.34Å; L512-S514 PolarHBondContact O-N 3.43Å; S514-R518 VanDerWaalsContact O-CG 3.31Å; S514-R518 WeakPolarHBondContact O-CG 3.12Å; S514-R518 PolarHBondContact O-N 3.41Å; S514-R518 VanDerWaalsContact O-N 3.13Å; S514-N564 PolarHBondContact OG-ND2 2.87Å
515L83.3Confident79.1Confident1 Ų145.2 Ų45.21%0.00523%0.228CC..Hα-helixtrans-74.3-39.1173.6-64.2-171.6000112.5Q458 L481 A484 I485 Y488 N511 L512 G513 F517 R518 A519Q458-L515 HydrophobicContact CG-CD1 4.39Å; Q458-L515 HydrophobicContact CG-CD2 4.04Å; L481-L515 HydrophobicContact CD1-CB 3.96Å; L481-L515 HydrophobicContact CD1-CD2 3.69Å; L481-L515 HydrophobicContact CD1-CG 4.27Å; A484-L515 HydrophobicContact CB-CD1 3.7Å; I485-L515 HydrophobicContact CD1-CB 4.05Å; I485-L515 HydrophobicContact CG1-CB 3.64Å; I485-L515 HydrophobicContact CG1-CD1 3.99Å; Y488-L515 HydrophobicContact CD2-CD1 3.77Å; Y488-L515 HydrophobicContact CE2-CD1 3.76Å; N511-L515 WeakPolarHBondContact O-CG 3.37Å; N511-L515 PolarHBondContact O-N 3.46Å; L512-L515 PolarHBondContact O-N 2.88Å; G513-L515 VanDerWaalsContact C-N 3.3Å; G513-L515 PolarHBondContact O-N 3.16Å; L515-F517 VanDerWaalsContact C-N 3.35Å; L515-R518 PolarHBondContact O-N 3.1Å; L515-A519 WeakPolarHBondContact O-CB 3.47Å; L515-A519 PolarHBondContact O-N 2.9Å
516Y83.3Confident77.3Confident2 Ų252 Ų521%0.00826%0.257CS..Hα-helixtrans-63.8-39.8173.7-73.9-46.6000112.4I485 N489 L512 G513 A519 K520 R521 L530I485-Y516 HydrophobicContact CD1-CD1 4.05Å; I485-Y516 HydrophobicContact CD1-CE1 4.26Å; I485-Y516 HydrophobicContact CG1-CE1 4.47Å; I485-Y516 HydrophobicContact CG2-CD1 4.36Å; I485-Y516 HydrophobicContact CG2-CE1 3.54Å; N489-Y516 PolarHBondContact ND2-OH 2.92Å; N489-Y516 PolarHBondContact OD1-OH 2.86Å; L512-Y516 HydrophobicContact CD1-CD2 4.09Å; L512-Y516 HydrophobicContact CD1-CE2 3.55Å; L512-Y516 HydrophobicContact CD2-CE2 4.11Å; L512-Y516 HydrophobicContact CG-CD2 4Å; L512-Y516 HydrophobicContact CG-CE2 3.57Å; L512-Y516 WeakPolarHBondContact O-CD2 3.37Å; L512-Y516 PolarHBondContact O-N 2.91Å; G513-Y516 PolarHBondContact O-N 3.14Å; Y516-A519 CarbonylContact O-C 3.08Å; Y516-A519 WeakPolarHBondContact O-CA 3.33Å; Y516-A519 PolarHBondContact O-N 3.38Å; Y516-A519 VanDerWaalsContact O-N 3.13Å; Y516-K520 PolarHBondContact O-N 2.85Å; Y516-R521 HydrophobicContact CD1-CB 4.33Å; Y516-R521 PolarHBondContact O-N 3.46Å; Y516-L530 HydrophobicContact CE2-CB 4.34Å; Y516-L530 WeakPolarHBondContact CE2-O 3.44Å
517F83.4Confident75.1Confident42 Ų4259.9 Ų59.918%0.18430%0.304CS..Hα-helixtrans-59.2-46.7172.1179.7-100.5000111.9G513 L515 A519 K520 Y522 D532 R567 L568 V571G513-F517 WeakPolarHBondContact O-CB 3.42Å; G513-F517 PolarHBondContact O-N 3.42Å; L515-F517 VanDerWaalsContact C-N 3.35Å; F517-A519 VanDerWaalsContact C-N 3.3Å; F517-A519 PolarHBondContact O-N 2.69Å; F517-K520 PolarHBondContact O-N 2.65Å; F517-K520 VanDerWaalsContact O-N 3.08Å; F517-Y522 HydrophobicContact CD2-CD1 4.2Å; F517-Y522 AromaticContact CD2-CE1 3.95Å; F517-Y522 HydrophobicContact CD2-CE1 3.95Å; F517-Y522 HydrophobicContact CE2-CE1 4.23Å; F517-D532 WeakPolarHBondContact CA-OD2 3.31Å; F517-D532 HydrophobicContact CB-CB 4.44Å; F517-R567 WeakPolarHBondContact CE2-O 3.22Å; F517-R567 HydrophobicContact CZ-CB 4.22Å; F517-L568 HydrophobicContact CD2-CD1 4.19Å; F517-V571 HydrophobicContact CE2-CB 4.07Å; F517-V571 HydrophobicContact CE2-CG1 4.48Å; F517-V571 HydrophobicContact CE2-CG2 3.85Å; F517-V571 HydrophobicContact CZ-CG2 3.9Å
518R80Confident73.3Confident132 Ų13260.7 Ų60.750%0.49833%0.327SS..Hα-helixtrans-61.2-36.9172.7-73.3173.9-173.8179.75.6112.3L481 S514 L515 K520L481-R518 HydrophobicContact CD1-CB 4.34Å; L481-R518 HydrophobicContact CD2-CB 4.3Å; S514-R518 VanDerWaalsContact O-CG 3.31Å; S514-R518 WeakPolarHBondContact O-CG 3.12Å; S514-R518 PolarHBondContact O-N 3.41Å; S514-R518 VanDerWaalsContact O-N 3.13Å; L515-R518 PolarHBondContact O-N 3.1Å; R518-K520 PolarHBondContact O-N 3.42Å
519A79.2Confident71.7Confident34 Ų3465.8 Ų65.828%0.28135%0.351SS..THydrogen-bonded Turntrans-77.2117600000114L481 I485 L515 Y516 F517 R521L481-A519 HydrophobicContact CD2-CB 3.97Å; L481-A519 HydrophobicContact CG-CB 4.48Å; I485-A519 HydrophobicContact CD1-CB 4.11Å; L515-A519 WeakPolarHBondContact O-CB 3.47Å; L515-A519 PolarHBondContact O-N 2.9Å; Y516-A519 CarbonylContact O-C 3.08Å; Y516-A519 WeakPolarHBondContact O-CA 3.33Å; Y516-A519 PolarHBondContact O-N 3.38Å; Y516-A519 VanDerWaalsContact O-N 3.13Å; F517-A519 VanDerWaalsContact C-N 3.3Å; F517-A519 PolarHBondContact O-N 2.69Å; A519-R521 VanDerWaalsContact C-N 3.32Å; A519-R521 HydrophobicContact CB-CG 4.33Å; A519-R521 PolarHBondContact O-N 3.11Å
520K77.1Confident70.3Confident154 Ų15467 Ų6767%0.6736%0.358SS*.THydrogen-bonded Turntrans59.834.1-177-48.2-166.8178.2-175.30114.5Y516 F517 R518 Y522Y516-K520 PolarHBondContact O-N 2.85Å; F517-K520 PolarHBondContact O-N 2.65Å; F517-K520 VanDerWaalsContact O-N 3.08Å; R518-K520 PolarHBondContact O-N 3.42Å; K520-Y522 HydrophobicContact CB-CE1 4.39Å; K520-Y522 HydrophobicContact CB-CE2 3.95Å; K520-Y522 WeakPolarHBondContact CG-OH 3.19Å
521R77.7Confident68.9Low117 Ų11766.4 Ų66.444%0.44236%0.355SS..  trans-101.567.6178.5-65.4-172.9179.7-176.5-0.6110.8Y516 A519 T523 D532Y516-R521 HydrophobicContact CD1-CB 4.33Å; Y516-R521 PolarHBondContact O-N 3.46Å; A519-R521 VanDerWaalsContact C-N 3.32Å; A519-R521 HydrophobicContact CB-CG 4.33Å; A519-R521 PolarHBondContact O-N 3.11Å; R521-T523 PolarHBondContact O-N 2.62Å; R521-T523 VanDerWaalsContact O-N 3.17Å; R521-D532 PolarHBondContact O-N 3.09Å
522Y72.7Confident67.9Low65 Ų6563.9 Ų63.926%0.25534%0.341SS..  trans-71.7-1.9-171.9-48.5-52.8000115.6F517 K520 D532 I533 L568 V571F517-Y522 HydrophobicContact CD2-CD1 4.2Å; F517-Y522 AromaticContact CD2-CE1 3.95Å; F517-Y522 HydrophobicContact CD2-CE1 3.95Å; F517-Y522 HydrophobicContact CE2-CE1 4.23Å; K520-Y522 HydrophobicContact CB-CE1 4.39Å; K520-Y522 HydrophobicContact CB-CE2 3.95Å; K520-Y522 WeakPolarHBondContact CG-OH 3.19Å; Y522-D532 WeakPolarHBondContact CA-OD1 3.15Å; Y522-I533 WeakPolarHBondContact O-CD1 3.46Å; Y522-I533 WeakPolarHBondContact O-CG1 3.33Å; Y522-L568 HydrophobicContact CD1-CD1 4Å; Y522-L568 HydrophobicContact CG-CD1 4.5Å; Y522-V571 HydrophobicContact CD1-CG1 4.11Å; Y522-V571 HydrophobicContact CD2-CG1 4.27Å; Y522-V571 HydrophobicContact CE1-CG1 3.59Å; Y522-V571 HydrophobicContact CE2-CG1 3.76Å; Y522-V571 HydrophobicContact CG-CG1 4.43Å
523T67.4Low67.4Low88 Ų8866.1 Ų66.154%0.5435%0.353SS..SBendtrans-150.6154.1-176.851.70000110.9R521 A525 I533R521-T523 PolarHBondContact O-N 2.62Å; R521-T523 VanDerWaalsContact O-N 3.17Å; T523-A525 PolarHBondContact O-N 2.63Å; T523-I533 HydrophobicContact CG2-CD1 4.41Å
524D59.8Low67.2Low72 Ų7268 Ų6839%0.38536%0.364SS..  trans-68.776.2171-73.446000110.3E526 G531 T534D524-E526 PolarHBondContact O-N 3Å; D524-G531 VanDerWaalsContact CG-N 3.34Å; D524-G531 WeakPolarHBondContact OD1-CA 3.45Å; D524-G531 PolarHBondContact OD1-N 2.93Å; D524-T534 VanDerWaalsContact CG-OG1 3.27Å; D524-T534 VanDerWaalsContact OD1-CG2 3.22Å; D524-T534 WeakPolarHBondContact OD1-CG2 3.45Å; D524-T534 PolarHBondContact OD1-OG1 3Å; D524-T534 WeakPolarHBondContact OD2-CG2 2.94Å; D524-T534 PolarHBondContact OD2-OG1 2.92Å
525A44Very low67Low64 Ų6467.1 Ų67.153%0.52936%0.358SS..  trans-77.8114.6174.100000110.4T523T523-A525 PolarHBondContact O-N 2.63Å
526E40.7Very low67.1Low167 Ų16767.1 Ų67.178%0.7836%0.358SS*.SBendtrans74.2144.3179.7-52.3-175.1171.600116.1D524 G528 H529D524-E526 PolarHBondContact O-N 3Å; E526-G528 PolarHBondContact O-N 3.32Å; E526-H529 PolarHBondContact O-N 3.43Å
527V38.8Very low67.2Low165 Ų16572.8 Ų72.8100%138%0.383SS*.THydrogen-bonded Turntrans-69.9101.4-172.4-178.40000110.3
528G47.7Very low67.3Low73 Ų7374.5 Ų74.575%0.75339%0.388SS*.THydrogen-bonded Turntrans135.6-15.7177.100000114.1E526E526-G528 PolarHBondContact O-N 3.32Å
529H51.1Low67.6Low114 Ų11468.2 Ų68.253%0.52836%0.364SS..  trans-106.5124.3176-67.6-53.2000111.3E526E526-H529 PolarHBondContact O-N 3.43Å
530L57.1Low68.1Low31 Ų3168.4 Ų68.416%0.16236%0.362CS..  trans-78.9133173.7-67.4161.2000109.3W509 Y516 T534W509-L530 HydrophobicContact CH2-CD1 4.15Å; W509-L530 HydrophobicContact CZ3-CD1 3.89Å; Y516-L530 HydrophobicContact CE2-CB 4.34Å; Y516-L530 WeakPolarHBondContact CE2-O 3.44Å; L530-T534 WeakPolarHBondContact CD2-OG1 3.26Å
531G60.7Low68.6Low1 Ų165 Ų651%0.0135%0.351CS..  trans-87.2-179.716700000111.9D524 T534 C535D524-G531 VanDerWaalsContact CG-N 3.34Å; D524-G531 WeakPolarHBondContact OD1-CA 3.45Å; D524-G531 PolarHBondContact OD1-N 2.93Å; G531-T534 PolarHBondContact O-OG1 3.42Å; G531-C535 PolarHBondContact O-N 3.35Å; G531-C535 PolarHBondContact O-SG 3.42Å
532D67Low68.9Low0 Ų059.8 Ų59.80%033%0.332CS..Hα-helixtrans-66.7-40.3175.450.616.2000113.2G513 F517 R521 Y522 T534 C535 F536 L568G513-D532 WeakPolarHBondContact O-CB 3.41Å; F517-D532 WeakPolarHBondContact CA-OD2 3.31Å; F517-D532 HydrophobicContact CB-CB 4.44Å; R521-D532 PolarHBondContact O-N 3.09Å; Y522-D532 WeakPolarHBondContact CA-OD1 3.15Å; D532-T534 VanDerWaalsContact C-N 3.31Å; D532-T534 PolarHBondContact O-N 3.15Å; D532-C535 PolarHBondContact O-N 3.41Å; D532-F536 HydrophobicContact CB-CD2 4.08Å; D532-F536 HydrophobicContact CB-CE2 3.82Å; D532-F536 WeakPolarHBondContact O-CD2 3.38Å; D532-F536 PolarHBondContact O-N 3.47Å; D532-L568 HydrophobicContact CB-CD2 4.01Å; D532-L568 WeakPolarHBondContact OD1-CD1 3.45Å; D532-L568 WeakPolarHBondContact OD1-CD2 3.34Å; D532-L568 WeakPolarHBondContact OD2-CD1 3.35Å
533I74.4Confident69.6Low47 Ų4756.7 Ų56.724%0.24132%0.32CS..Hα-helixtrans-53-46.8177.4-61.9177.2000111.3Y522 T523 K537 L568Y522-I533 WeakPolarHBondContact O-CD1 3.46Å; Y522-I533 WeakPolarHBondContact O-CG1 3.33Å; T523-I533 HydrophobicContact CG2-CD1 4.41Å; I533-K537 HydrophobicContact CG2-CD 4.01Å; I533-K537 WeakPolarHBondContact O-CB 3.37Å; I533-K537 VanDerWaalsContact O-CG 3.28Å; I533-K537 WeakPolarHBondContact O-CG 3.18Å; I533-K537 PolarHBondContact O-N 2.97Å; I533-L568 HydrophobicContact CB-CD2 4.3Å; I533-L568 HydrophobicContact CG1-CD1 4.48Å; I533-L568 HydrophobicContact CG1-CD2 3.58Å; I533-L568 HydrophobicContact CG1-CG 4.15Å
534T79.4Confident70.6Confident40 Ų4056.3 Ų56.325%0.24532%0.317CS..Hα-helixtrans-78.4-29.2-178.154.20000113D524 L530 G531 D532 R538D524-T534 VanDerWaalsContact CG-OG1 3.27Å; D524-T534 VanDerWaalsContact OD1-CG2 3.22Å; D524-T534 WeakPolarHBondContact OD1-CG2 3.45Å; D524-T534 PolarHBondContact OD1-OG1 3Å; D524-T534 WeakPolarHBondContact OD2-CG2 2.94Å; D524-T534 PolarHBondContact OD2-OG1 2.92Å; L530-T534 WeakPolarHBondContact CD2-OG1 3.26Å; G531-T534 PolarHBondContact O-OG1 3.42Å; D532-T534 VanDerWaalsContact C-N 3.31Å; D532-T534 PolarHBondContact O-N 3.15Å; T534-R538 WeakPolarHBondContact O-CG 3.48Å; T534-R538 PolarHBondContact O-N 3.4Å; T534-R538 VanDerWaalsContact O-N 3.15Å
535C82.9Confident71.8Confident0 Ų060.4 Ų60.40%033%0.332CS..Hα-helixtrans-64.9-51.8169.5-66.50000111.6W509 G531 D532 K537 R538 A539W509-C535 HydrophobicContact CE3-CB 4.33Å; G531-C535 PolarHBondContact O-N 3.35Å; G531-C535 PolarHBondContact O-SG 3.42Å; D532-C535 PolarHBondContact O-N 3.41Å; C535-K537 PolarHBondContact O-N 3.12Å; C535-R538 PolarHBondContact O-N 3.22Å; C535-A539 PolarHBondContact O-N 2.94Å
536F85.5Confident73.7Confident2 Ų259.9 Ų59.91%0.00932%0.317CS..Hα-helixtrans-65.9-37.1-179.4-67.3-54.5000112.9N510 D532 R538 A539 V540 V561 N564 L565 L568N510-F536 WeakPolarHBondContact O-CE1 3.45Å; N510-F536 WeakPolarHBondContact OD1-CE1 3.37Å; D532-F536 HydrophobicContact CB-CD2 4.08Å; D532-F536 HydrophobicContact CB-CE2 3.82Å; D532-F536 WeakPolarHBondContact O-CD2 3.38Å; D532-F536 PolarHBondContact O-N 3.47Å; F536-R538 PolarHBondContact O-N 2.84Å; F536-A539 WeakPolarHBondContact O-CB 3.46Å; F536-A539 PolarHBondContact O-N 3.49Å; F536-A539 VanDerWaalsContact O-N 3.13Å; F536-V540 PolarHBondContact O-N 3.31Å; F536-V561 HydrophobicContact CB-CG1 4.47Å; F536-N564 HydrophobicContact CD1-CB 4.07Å; F536-N564 HydrophobicContact CE1-CB 3.52Å; F536-N564 HydrophobicContact CE2-CB 4.28Å; F536-N564 HydrophobicContact CZ-CB 3.64Å; F536-L565 HydrophobicContact CB-CD1 4.48Å; F536-L565 HydrophobicContact CB-CD2 3.49Å; F536-L565 VanDerWaalsContact CB-CD2 3.49Å; F536-L565 HydrophobicContact CB-CG 3.81Å; F536-L565 HydrophobicContact CD2-CD2 4.43Å; F536-L565 HydrophobicContact CG-CD2 4.31Å; F536-L565 HydrophobicContact CG-CG 4.46Å; F536-L568 HydrophobicContact CD2-CD2 3.72Å; F536-L568 HydrophobicContact CE2-CD2 4.06Å
537K85.3Confident75.8Confident121 Ų12154.7 Ų54.753%0.52629%0.294SS..Hα-helixtrans-60.8-42.9172.4-76.1176.8-179.4179.60111.9I533 C535 A539 V540 D541I533-K537 HydrophobicContact CG2-CD 4.01Å; I533-K537 WeakPolarHBondContact O-CB 3.37Å; I533-K537 VanDerWaalsContact O-CG 3.28Å; I533-K537 WeakPolarHBondContact O-CG 3.18Å; I533-K537 PolarHBondContact O-N 2.97Å; C535-K537 PolarHBondContact O-N 3.12Å; K537-A539 VanDerWaalsContact C-N 3.32Å; K537-A539 PolarHBondContact O-N 3.49Å; K537-V540 PolarHBondContact O-N 2.9Å; K537-D541 VanDerWaalsContact O-CG 3.25Å; K537-D541 PolarHBondContact O-N 2.87Å
538R85.1Confident78Confident77 Ų7752.7 Ų52.729%0.29128%0.284SS..Hα-helixtrans-64-34.2172-75.5-171.4-170.313112.9113.4W509 T534 C535 F536 V540 D541 T542W509-R538 HydrophobicContact CD2-CB 3.98Å; W509-R538 HydrophobicContact CG-CB 3.97Å; T534-R538 WeakPolarHBondContact O-CG 3.48Å; T534-R538 PolarHBondContact O-N 3.4Å; T534-R538 VanDerWaalsContact O-N 3.15Å; C535-R538 PolarHBondContact O-N 3.22Å; F536-R538 PolarHBondContact O-N 2.84Å; R538-V540 VanDerWaalsContact C-N 3.33Å; R538-D541 PolarHBondContact O-N 3.1Å; R538-T542 WeakPolarHBondContact O-CB 3.41Å; R538-T542 WeakPolarHBondContact O-CG2 3.42Å; R538-T542 PolarHBondContact O-N 3.27Å; R538-T542 PolarHBondContact O-OG1 3.46Å
539A86.9Confident79.7Confident0 Ų054.6 Ų54.60%028%0.282CS..Hα-helixtrans-62.5-40.1173.600000111.5P506 W509 N510 C535 F536 K537 T542 A543 V561P506-A539 HydrophobicContact CB-CB 4.49Å; P506-A539 WeakPolarHBondContact CB-O 3.09Å; W509-A539 HydrophobicContact CB-CB 3.74Å; N510-A539 HydrophobicContact CB-CB 4.33Å; C535-A539 PolarHBondContact O-N 2.94Å; F536-A539 WeakPolarHBondContact O-CB 3.46Å; F536-A539 PolarHBondContact O-N 3.49Å; F536-A539 VanDerWaalsContact O-N 3.13Å; K537-A539 VanDerWaalsContact C-N 3.32Å; K537-A539 PolarHBondContact O-N 3.49Å; A539-T542 PolarHBondContact O-OG1 2.96Å; A539-A543 VanDerWaalsContact O-CB 3.24Å; A539-A543 WeakPolarHBondContact O-CB 3.42Å; A539-A543 PolarHBondContact O-N 2.76Å; A539-V561 HydrophobicContact CB-CG1 3.86Å; A539-V561 HydrophobicContact CB-CG2 3.76Å
540V88.2Confident81.2Confident38 Ų3852.8 Ų52.823%0.2328%0.276CS..Hα-helixtrans-64.3-53.5170.7179.30000110.9F536 K537 R538 T542 A543 V544 L558 V561 L565F536-V540 PolarHBondContact O-N 3.31Å; K537-V540 PolarHBondContact O-N 2.9Å; R538-V540 VanDerWaalsContact C-N 3.33Å; V540-T542 VanDerWaalsContact C-N 3.26Å; V540-T542 PolarHBondContact O-N 2.91Å; V540-A543 PolarHBondContact O-N 3.44Å; V540-V544 HydrophobicContact CG1-CG2 4.07Å; V540-V544 WeakPolarHBondContact O-CB 3.15Å; V540-V544 WeakPolarHBondContact O-CG2 3.48Å; V540-V544 PolarHBondContact O-N 3.24Å; V540-L558 HydrophobicContact CB-CD2 4.26Å; V540-L558 HydrophobicContact CG1-CD2 3.95Å; V540-L558 HydrophobicContact CG2-CD2 4.27Å; V540-V561 HydrophobicContact CG2-CG1 3.52Å; V540-L565 HydrophobicContact CG2-CD1 3.81Å
541D87.6Confident82.6Confident83 Ų8357.2 Ų57.244%0.44430%0.296SS..Hα-helixtrans-56.8-38.9-177-65.4-30.4000112.6K537 R538 K545K537-D541 VanDerWaalsContact O-CG 3.25Å; K537-D541 PolarHBondContact O-N 2.87Å; R538-D541 PolarHBondContact O-N 3.1Å; D541-K545 WeakPolarHBondContact O-CB 3.45Å; D541-K545 VanDerWaalsContact O-CD 3.28Å; D541-K545 WeakPolarHBondContact O-CD 3.33Å; D541-K545 WeakPolarHBondContact O-CG 3.23Å; D541-K545 PolarHBondContact O-N 3.3Å
542T85.2Confident83.8Confident7 Ų761.8 Ų61.84%0.04333%0.325CS..Hα-helixtrans-78-40-179.850.70000112.3E504 P506 R538 A539 V540 K545 K546E504-T542 HydrophobicContact CB-CG2 3.87Å; E504-T542 WeakPolarHBondContact OE2-CG2 3.43Å; P506-T542 WeakPolarHBondContact CA-OG1 3.23Å; P506-T542 WeakPolarHBondContact CB-OG1 3.21Å; R538-T542 WeakPolarHBondContact O-CB 3.41Å; R538-T542 WeakPolarHBondContact O-CG2 3.42Å; R538-T542 PolarHBondContact O-N 3.27Å; R538-T542 PolarHBondContact O-OG1 3.46Å; A539-T542 PolarHBondContact O-OG1 2.96Å; V540-T542 VanDerWaalsContact C-N 3.26Å; V540-T542 PolarHBondContact O-N 2.91Å; T542-K545 PolarHBondContact O-N 2.91Å; T542-K546 WeakPolarHBondContact O-CB 3.47Å; T542-K546 PolarHBondContact O-N 2.88Å
543A86.5Confident84.7Confident0 Ų066.6 Ų66.60%034%0.344CS..Hα-helixtrans-65.3-41.6174.400000112.2P506 A539 V540 K546 M547 F554 L558P506-A543 HydrophobicContact CB-CB 3.89Å; P506-A543 HydrophobicContact CG-CB 4.08Å; A539-A543 VanDerWaalsContact O-CB 3.24Å; A539-A543 WeakPolarHBondContact O-CB 3.42Å; A539-A543 PolarHBondContact O-N 2.76Å; V540-A543 PolarHBondContact O-N 3.44Å; A543-K546 PolarHBondContact O-N 3.07Å; A543-M547 PolarHBondContact O-N 3.19Å; A543-F554 HydrophobicContact CB-CD1 4.27Å; A543-L558 HydrophobicContact CB-CD1 4.24Å; A543-L558 HydrophobicContact CB-CD2 3.87Å; A543-L558 HydrophobicContact CB-CG 3.77Å
544V88.3Confident85.4Confident81 Ų8165.1 Ų65.149%0.49134%0.336SS..Hα-helixtrans-64.1-42.4176.2172.50000111.3V540 K546 M547 L558V540-V544 HydrophobicContact CG1-CG2 4.07Å; V540-V544 WeakPolarHBondContact O-CB 3.15Å; V540-V544 WeakPolarHBondContact O-CG2 3.48Å; V540-V544 PolarHBondContact O-N 3.24Å; V544-K546 VanDerWaalsContact C-N 3.33Å; V544-K546 PolarHBondContact O-N 2.99Å; V544-M547 WeakPolarHBondContact O-CB 3.3Å; V544-M547 PolarHBondContact O-N 3.46Å; V544-L558 HydrophobicContact CG2-CD1 4.16Å; V544-L558 HydrophobicContact CG2-CD2 4.23Å
545K86.3Confident85.8Confident157 Ų15766.9 Ų66.968%0.68334%0.34SS*.Hα-helixtrans-62.6-36.8174.8-74.7166.9-169.2171.50113.1D541 T542 P548D541-K545 WeakPolarHBondContact O-CB 3.45Å; D541-K545 VanDerWaalsContact O-CD 3.28Å; D541-K545 WeakPolarHBondContact O-CD 3.33Å; D541-K545 WeakPolarHBondContact O-CG 3.23Å; D541-K545 PolarHBondContact O-N 3.3Å; T542-K545 PolarHBondContact O-N 2.91Å; K545-P548 WeakPolarHBondContact O-CD 3.47Å
546K84Confident86Confident53 Ų5370 Ų7023%0.2336%0.362CS..Hα-helixtrans-87.6-13.3-178.3-72.8-177.9166.3179.20114.3E502 E504 T542 A543 V544 P548 T549 F554E502-K546 WeakPolarHBondContact O-CE 3.3Å; E502-K546 PolarHBondContact O-NZ 2.75Å; E504-K546 WeakPolarHBondContact O-CE 3.28Å; E504-K546 PolarHBondContact O-NZ 3.42Å; T542-K546 WeakPolarHBondContact O-CB 3.47Å; T542-K546 PolarHBondContact O-N 2.88Å; A543-K546 PolarHBondContact O-N 3.07Å; V544-K546 VanDerWaalsContact C-N 3.33Å; V544-K546 PolarHBondContact O-N 2.99Å; K546-P548 VanDerWaalsContact C-N 3.29Å; K546-P548 VanDerWaalsContact O-N 3.1Å; K546-T549 WeakPolarHBondContact O-CB 3.31Å; K546-T549 PolarHBondContact O-N 3.15Å; K546-T549 PolarHBondContact O-OG1 2.99Å; K546-F554 HydrophobicContact CB-CD1 4.17Å; K546-F554 HydrophobicContact CB-CD2 4.08Å; K546-F554 HydrophobicContact CB-CE1 3.82Å; K546-F554 HydrophobicContact CB-CE2 3.74Å; K546-F554 HydrophobicContact CB-CG 4.31Å; K546-F554 HydrophobicContact CB-CZ 3.6Å; K546-F554 HydrophobicContact CD-CE1 4.21Å; K546-F554 HydrophobicContact CD-CZ 4.09Å; K546-F554 HydrophobicContact CG-CZ 4.45Å; K546-F554 WeakPolarHBondContact O-CD2 3.49Å; K546-F554 WeakPolarHBondContact O-CE2 3.47Å
547M84.2Confident86.2Confident59 Ų5970.7 Ų70.729%0.29137%0.366SS..G310 helixtrans-44.5-41.2179.7-175.1175.8-76.800114.9A543 V544 T549 N550 E551 L558A543-M547 PolarHBondContact O-N 3.19Å; V544-M547 WeakPolarHBondContact O-CB 3.3Å; V544-M547 PolarHBondContact O-N 3.46Å; M547-T549 PolarHBondContact O-N 3.06Å; M547-T549 VanDerWaalsContact O-N 3.08Å; M547-N550 CarbonylContact O-C 3.53Å; M547-N550 PolarHBondContact O-N 3.15Å; M547-E551 HydrophobicContact CG-CG 4.15Å; M547-E551 WeakPolarHBondContact O-CA 3.31Å; M547-E551 PolarHBondContact O-N 2.86Å; M547-E551 VanDerWaalsContact O-N 3.13Å; M547-L558 HydrophobicContact CE-CD1 3.34Å
548P84.8Confident86.5Confident122 Ų12266 Ų6679%0.79235%0.346SS*.G310 helixtrans-62.8-15.3178.3-23.835.7000115.5K545 K546K545-P548 WeakPolarHBondContact O-CD 3.47Å; K546-P548 VanDerWaalsContact C-N 3.29Å; K546-P548 VanDerWaalsContact O-N 3.1Å
549T82.6Confident86.8Confident114 Ų11463.3 Ų63.370%0.69934%0.338SS*.G310 helixtrans-88.8-29.7-179.264.90000113.4K546 M547 F554K546-T549 WeakPolarHBondContact O-CB 3.31Å; K546-T549 PolarHBondContact O-N 3.15Å; K546-T549 PolarHBondContact O-OG1 2.99Å; M547-T549 PolarHBondContact O-N 3.06Å; M547-T549 VanDerWaalsContact O-N 3.08Å; T549-F554 WeakPolarHBondContact OG1-CE2 3.45Å
550N83.5Confident87Confident75 Ų7566.1 Ų66.140%0.40136%0.355SS..  trans-162.577.8177.3-169.5-15.1000110.5M547 P552 Y553 F554M547-N550 CarbonylContact O-C 3.53Å; M547-N550 PolarHBondContact O-N 3.15Å; N550-P552 WeakPolarHBondContact OD1-CD 3.43Å; N550-Y553 WeakPolarHBondContact ND2-CB 3.47Å; N550-Y553 PolarHBondContact O-N 3.49Å; N550-Y553 WeakPolarHBondContact OD1-CB 3.45Å; N550-F554 HydrophobicContact CB-CD2 4.24Å; N550-F554 HydrophobicContact CB-CE2 4.09Å; N550-F554 VanDerWaalsContact O-CD2 3.25Å; N550-F554 WeakPolarHBondContact O-CD2 3.23Å; N550-F554 PolarHBondContact O-N 3.13Å; N550-F554 VanDerWaalsContact O-N 3.09Å
551E85.5Confident87.2Confident124 Ų12464.3 Ų64.358%0.57934%0.344SS*.Hα-helixtrans-49.6-53.2-174.5-171.2-171.6157.700114.6M547 Y553 F554 K555M547-E551 HydrophobicContact CG-CG 4.15Å; M547-E551 WeakPolarHBondContact O-CA 3.31Å; M547-E551 PolarHBondContact O-N 2.86Å; M547-E551 VanDerWaalsContact O-N 3.13Å; E551-Y553 VanDerWaalsContact C-N 3.29Å; E551-Y553 PolarHBondContact O-N 3Å; E551-F554 PolarHBondContact O-N 2.97Å; E551-K555 VanDerWaalsContact O-CB 3.26Å; E551-K555 WeakPolarHBondContact O-CB 3.33Å; E551-K555 PolarHBondContact O-N 3.4Å
552P87.1Confident87.4Confident97 Ų9762.1 Ų62.163%0.6334%0.336SS*.Hα-helixtrans-65.1-33.1-176.825.8-34.9000112.7N550 S556N550-P552 WeakPolarHBondContact OD1-CD 3.43Å; P552-S556 PolarHBondContact O-N 3.43Å; P552-S556 VanDerWaalsContact O-N 3.11Å
553Y86.2Confident87.8Confident102 Ų10263.3 Ų63.340%0.434%0.34SS..Hα-helixtrans-66.4-55176.8-178.7-101.2000111.1E507 N550 E551 K555 S556 I557E507-Y553 VanDerWaalsContact OE1-CE1 3.31Å; E507-Y553 WeakPolarHBondContact OE1-CE1 3.19Å; E507-Y553 PolarHBondContact OE1-OH 3.43Å; N550-Y553 WeakPolarHBondContact ND2-CB 3.47Å; N550-Y553 PolarHBondContact O-N 3.49Å; N550-Y553 WeakPolarHBondContact OD1-CB 3.45Å; E551-Y553 VanDerWaalsContact C-N 3.29Å; E551-Y553 PolarHBondContact O-N 3Å; Y553-K555 VanDerWaalsContact C-N 3.3Å; Y553-K555 PolarHBondContact O-N 3.44Å; Y553-S556 PolarHBondContact O-N 3.31Å; Y553-S556 VanDerWaalsContact O-N 3.13Å; Y553-S556 PolarHBondContact O-OG 2.89Å; Y553-I557 HydrophobicContact CD1-CD1 3.87Å; Y553-I557 HydrophobicContact CE1-CD1 3.35Å; Y553-I557 HydrophobicContact CE2-CD1 4.45Å; Y553-I557 PolarHBondContact O-N 3.21Å
554F88Confident88.1Confident16 Ų1664.9 Ų64.97%0.0735%0.348CS..Hα-helixtrans-67.4-29.7-179.4-69-65.5000113P506 A543 K546 T549 N550 E551 I557 L558P506-F554 HydrophobicContact CG-CD1 4.08Å; P506-F554 HydrophobicContact CG-CE1 3.93Å; A543-F554 HydrophobicContact CB-CD1 4.27Å; K546-F554 HydrophobicContact CB-CD1 4.17Å; K546-F554 HydrophobicContact CB-CD2 4.08Å; K546-F554 HydrophobicContact CB-CE1 3.82Å; K546-F554 HydrophobicContact CB-CE2 3.74Å; K546-F554 HydrophobicContact CB-CG 4.31Å; K546-F554 HydrophobicContact CB-CZ 3.6Å; K546-F554 HydrophobicContact CD-CE1 4.21Å; K546-F554 HydrophobicContact CD-CZ 4.09Å; K546-F554 HydrophobicContact CG-CZ 4.45Å; K546-F554 WeakPolarHBondContact O-CD2 3.49Å; K546-F554 WeakPolarHBondContact O-CE2 3.47Å; T549-F554 WeakPolarHBondContact OG1-CE2 3.45Å; N550-F554 HydrophobicContact CB-CD2 4.24Å; N550-F554 HydrophobicContact CB-CE2 4.09Å; N550-F554 VanDerWaalsContact O-CD2 3.25Å; N550-F554 WeakPolarHBondContact O-CD2 3.23Å; N550-F554 PolarHBondContact O-N 3.13Å; N550-F554 VanDerWaalsContact O-N 3.09Å; E551-F554 PolarHBondContact O-N 2.97Å; F554-I557 HydrophobicContact CD1-CD1 4.22Å; F554-I557 HydrophobicContact CE1-CD1 4.46Å; F554-I557 PolarHBondContact O-N 2.93Å; F554-L558 WeakPolarHBondContact O-CB 3.3Å; F554-L558 WeakPolarHBondContact O-CG 3.27Å; F554-L558 PolarHBondContact O-N 2.93Å
555K87.8Confident88.2Confident77 Ų7762.5 Ų62.534%0.33533%0.332SS..Hα-helixtrans-63.2-43.3170.7-175.3161.8-177.4158.80112.1E551 Y553 I557 L558 V559 E588E551-K555 VanDerWaalsContact O-CB 3.26Å; E551-K555 WeakPolarHBondContact O-CB 3.33Å; E551-K555 PolarHBondContact O-N 3.4Å; Y553-K555 VanDerWaalsContact C-N 3.3Å; Y553-K555 PolarHBondContact O-N 3.44Å; K555-I557 VanDerWaalsContact C-N 3.3Å; K555-I557 PolarHBondContact O-N 3.41Å; K555-L558 PolarHBondContact O-N 3.2Å; K555-V559 WeakPolarHBondContact O-CG2 3.4Å; K555-V559 PolarHBondContact O-N 3.45Å; K555-V559 VanDerWaalsContact O-N 3.11Å; K555-E588 WeakPolarHBondContact CE-OE2 3.47Å; K555-E588 IonicContact NZ-OE2 3.91Å; K555-E588 PolarHBondContact NZ-OE2 3.45Å
556S88Confident88.4Confident65 Ų6555 Ų5546%0.45530%0.3SS..Hα-helixtrans-60.9-38.9176.577.40000112.7P552 Y553 V559 T560P552-S556 PolarHBondContact O-N 3.43Å; P552-S556 VanDerWaalsContact O-N 3.11Å; Y553-S556 PolarHBondContact O-N 3.31Å; Y553-S556 VanDerWaalsContact O-N 3.13Å; Y553-S556 PolarHBondContact O-OG 2.89Å; S556-V559 PolarHBondContact O-N 3.15Å; S556-T560 PolarHBondContact O-N 3.12Å; S556-T560 PolarHBondContact O-OG1 3.42Å
557I89.3Confident88.7Confident17 Ų1754.8 Ų54.89%0.08730%0.297CS..Hα-helixtrans-66.6-43.2174.8-66.1169.1000110.8P506 E507 Y553 F554 K555 V559 T560 V561P506-I557 HydrophobicContact CB-CG2 4.05Å; P506-I557 HydrophobicContact CG-CD1 4.29Å; P506-I557 HydrophobicContact CG-CG2 4.23Å; E507-I557 HydrophobicContact CG-CD1 3.91Å; E507-I557 WeakPolarHBondContact OE1-CD1 3.27Å; Y553-I557 HydrophobicContact CD1-CD1 3.87Å; Y553-I557 HydrophobicContact CE1-CD1 3.35Å; Y553-I557 HydrophobicContact CE2-CD1 4.45Å; Y553-I557 PolarHBondContact O-N 3.21Å; F554-I557 HydrophobicContact CD1-CD1 4.22Å; F554-I557 HydrophobicContact CE1-CD1 4.46Å; F554-I557 PolarHBondContact O-N 2.93Å; K555-I557 VanDerWaalsContact C-N 3.3Å; K555-I557 PolarHBondContact O-N 3.41Å; I557-V559 VanDerWaalsContact C-N 3.28Å; I557-V559 PolarHBondContact O-N 3.37Å; I557-T560 PolarHBondContact O-N 3.08Å; I557-T560 VanDerWaalsContact O-N 3.1Å; I557-V561 HydrophobicContact CG2-CG2 4Å; I557-V561 WeakPolarHBondContact O-CG2 3.46Å; I557-V561 PolarHBondContact O-N 3.5Å
558L91Very high88.9Confident23 Ų2352.1 Ų52.112%0.1228%0.284CS..Hα-helixtrans-61.1-34178.9-80.1165.3000112.9V540 A543 V544 M547 F554 K555 S562V540-L558 HydrophobicContact CB-CD2 4.26Å; V540-L558 HydrophobicContact CG1-CD2 3.95Å; V540-L558 HydrophobicContact CG2-CD2 4.27Å; A543-L558 HydrophobicContact CB-CD1 4.24Å; A543-L558 HydrophobicContact CB-CD2 3.87Å; A543-L558 HydrophobicContact CB-CG 3.77Å; V544-L558 HydrophobicContact CG2-CD1 4.16Å; V544-L558 HydrophobicContact CG2-CD2 4.23Å; M547-L558 HydrophobicContact CE-CD1 3.34Å; F554-L558 WeakPolarHBondContact O-CB 3.3Å; F554-L558 WeakPolarHBondContact O-CG 3.27Å; F554-L558 PolarHBondContact O-N 2.93Å; K555-L558 PolarHBondContact O-N 3.2Å; L558-S562 WeakPolarHBondContact O-CB 3.36Å; L558-S562 PolarHBondContact O-N 3.12Å; L558-S562 PolarHBondContact O-OG 3.2Å
559V92.1Very high89.1Confident20 Ų2047.1 Ų47.112%0.12125%0.252CS..Hα-helixtrans-62.8-46.9172.4175.50000110.8K555 S556 I557 S562 Y563 I585 H589 Y592K555-V559 WeakPolarHBondContact O-CG2 3.4Å; K555-V559 PolarHBondContact O-N 3.45Å; K555-V559 VanDerWaalsContact O-N 3.11Å; S556-V559 PolarHBondContact O-N 3.15Å; I557-V559 VanDerWaalsContact C-N 3.28Å; I557-V559 PolarHBondContact O-N 3.37Å; V559-S562 PolarHBondContact O-N 3.05Å; V559-Y563 PolarHBondContact O-N 3.43Å; V559-I585 HydrophobicContact CG1-CG2 4.11Å; V559-H589 VanDerWaalsContact CG2-CD2 3.47Å; V559-H589 WeakPolarHBondContact CG2-CD2 3.26Å; V559-Y592 HydrophobicContact CG1-CD2 4.32Å; V559-Y592 HydrophobicContact CG1-CE2 4.16Å
560T91.7Very high89.5Confident58 Ų5842.6 Ų42.636%0.35622%0.223SC..Hα-helixtrans-64.5-43.6177.8-53.80000112.5S556 I557 S562 Y563 N564S556-T560 PolarHBondContact O-N 3.12Å; S556-T560 PolarHBondContact O-OG1 3.42Å; I557-T560 PolarHBondContact O-N 3.08Å; I557-T560 VanDerWaalsContact O-N 3.1Å; T560-S562 VanDerWaalsContact C-N 3.35Å; T560-Y563 PolarHBondContact O-N 3.34Å; T560-N564 PolarHBondContact O-N 2.86Å; T560-N564 PolarHBondContact O-ND2 3.48Å
561V91.7Very high89.6Confident0 Ų040.9 Ų40.90%022%0.216CC..Hα-helixtrans-64.2-40.9176.41750000110.9N510 F536 A539 V540 I557 N564 L565N510-V561 HydrophobicContact CB-CG2 3.9Å; F536-V561 HydrophobicContact CB-CG1 4.47Å; A539-V561 HydrophobicContact CB-CG1 3.86Å; A539-V561 HydrophobicContact CB-CG2 3.76Å; V540-V561 HydrophobicContact CG2-CG1 3.52Å; I557-V561 HydrophobicContact CG2-CG2 4Å; I557-V561 WeakPolarHBondContact O-CG2 3.46Å; I557-V561 PolarHBondContact O-N 3.5Å; V561-N564 PolarHBondContact O-N 3.01Å; V561-L565 HydrophobicContact CG1-CD1 4.25Å; V561-L565 WeakPolarHBondContact O-CG 3.48Å; V561-L565 PolarHBondContact O-N 3.42Å
562S92.1Very high89.7Confident38 Ų3837.7 Ų37.727%0.26621%0.205SC..Hα-helixtrans-66.1-42.8177-59.70000111.6L558 V559 T560 N564 L565 G566 I581L558-S562 WeakPolarHBondContact O-CB 3.36Å; L558-S562 PolarHBondContact O-N 3.12Å; L558-S562 PolarHBondContact O-OG 3.2Å; V559-S562 PolarHBondContact O-N 3.05Å; T560-S562 VanDerWaalsContact C-N 3.35Å; S562-N564 VanDerWaalsContact C-N 3.3Å; S562-N564 PolarHBondContact O-N 3.18Å; S562-L565 WeakPolarHBondContact O-CB 3.39Å; S562-L565 PolarHBondContact O-N 2.86Å; S562-L565 VanDerWaalsContact O-N 3.16Å; S562-G566 PolarHBondContact O-N 3.43Å; S562-I581 WeakPolarHBondContact O-CG2 3.47Å
563Y93.9Very high89.5Confident32 Ų3242.7 Ų42.713%0.12521%0.212CC..Hα-helixtrans-58.1-44173.4174.6-104.4000111.5V559 T560 L565 G566 R567 Y582 Y592 D594 R598V559-Y563 PolarHBondContact O-N 3.43Å; T560-Y563 PolarHBondContact O-N 3.34Å; Y563-L565 PolarHBondContact O-N 3.42Å; Y563-G566 PolarHBondContact O-N 3.25Å; Y563-R567 HydrophobicContact CD1-CG 4.25Å; Y563-R567 HydrophobicContact CE1-CG 3.85Å; Y563-R567 HydrophobicContact CE2-CG 4.19Å; Y563-R567 WeakPolarHBondContact O-CG 3.49Å; Y563-R567 PolarHBondContact O-N 3.22Å; Y563-Y582 HydrophobicContact CD2-CD1 4.21Å; Y563-Y582 AromaticContact CD2-CE1 3.81Å; Y563-Y582 HydrophobicContact CD2-CE1 3.81Å; Y563-Y582 AromaticContact CE2-CE1 3.95Å; Y563-Y582 HydrophobicContact CE2-CE1 3.95Å; Y563-Y592 AromaticContact CD2-CE1 3.74Å; Y563-Y592 HydrophobicContact CD2-CE1 3.74Å; Y563-Y592 HydrophobicContact CE2-CE1 4.2Å; Y563-Y592 HydrophobicContact CG-CE1 4.04Å; Y563-D594 HydrophobicContact CE2-CB 3.91Å; Y563-R598 HydrophobicContact CE2-CG 3.8Å
564N91.4Very high89.7Confident32 Ų3241.3 Ų41.317%0.17121%0.212CC..Hα-helixtrans-64.9-36.5176-76.1-24.3000113.1N510 S514 F536 T560 V561 S562 R567 L568N510-N564 PolarHBondContact OD1-ND2 3.13Å; S514-N564 PolarHBondContact OG-ND2 2.87Å; F536-N564 HydrophobicContact CD1-CB 4.07Å; F536-N564 HydrophobicContact CE1-CB 3.52Å; F536-N564 HydrophobicContact CE2-CB 4.28Å; F536-N564 HydrophobicContact CZ-CB 3.64Å; T560-N564 PolarHBondContact O-N 2.86Å; T560-N564 PolarHBondContact O-ND2 3.48Å; V561-N564 PolarHBondContact O-N 3.01Å; S562-N564 VanDerWaalsContact C-N 3.3Å; S562-N564 PolarHBondContact O-N 3.18Å; N564-R567 PolarHBondContact O-N 3.19Å; N564-L568 WeakPolarHBondContact O-CB 3.44Å; N564-L568 PolarHBondContact O-N 3.18Å
565L89.9Confident89.8Confident32 Ų3242.8 Ų42.817%0.16822%0.219CC..Hα-helixtrans-64.3-41.5170.6-77.5167.7000112F536 V540 V561 S562 Y563 L568 S569 I581F536-L565 HydrophobicContact CB-CD1 4.48Å; F536-L565 HydrophobicContact CB-CD2 3.49Å; F536-L565 VanDerWaalsContact CB-CD2 3.49Å; F536-L565 HydrophobicContact CB-CG 3.81Å; F536-L565 HydrophobicContact CD2-CD2 4.43Å; F536-L565 HydrophobicContact CG-CD2 4.31Å; F536-L565 HydrophobicContact CG-CG 4.46Å; V540-L565 HydrophobicContact CG2-CD1 3.81Å; V561-L565 HydrophobicContact CG1-CD1 4.25Å; V561-L565 WeakPolarHBondContact O-CG 3.48Å; V561-L565 PolarHBondContact O-N 3.42Å; S562-L565 WeakPolarHBondContact O-CB 3.39Å; S562-L565 PolarHBondContact O-N 2.86Å; S562-L565 VanDerWaalsContact O-N 3.16Å; Y563-L565 PolarHBondContact O-N 3.42Å; L565-L568 WeakPolarHBondContact O-CB 3.24Å; L565-L568 PolarHBondContact O-N 2.94Å; L565-S569 PolarHBondContact O-N 3.13Å; L565-S569 PolarHBondContact O-OG 3.38Å; L565-I581 HydrophobicContact CB-CD1 4.31Å
566G91.3Very high89.9Confident0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-60.8-44173.400000112S562 Y563 L568 S569 E570 Y582S562-G566 PolarHBondContact O-N 3.43Å; Y563-G566 PolarHBondContact O-N 3.25Å; G566-L568 PolarHBondContact O-N 3.33Å; G566-S569 PolarHBondContact O-N 3.35Å; G566-E570 VanDerWaalsContact O-CB 3.28Å; G566-E570 WeakPolarHBondContact O-CB 3.48Å; G566-E570 PolarHBondContact O-N 3.39Å; G566-Y582 PolarHBondContact O-OH 3.3Å
567R90.9Very high90.1Very high47 Ų4747.7 Ų47.718%0.17724%0.236CC..Hα-helixtrans-62.3-30.9174.7-71.6-67.9-58.1104.18.2112.9F517 Y563 N564 E570 V571 Y582F517-R567 WeakPolarHBondContact CE2-O 3.22Å; F517-R567 HydrophobicContact CZ-CB 4.22Å; Y563-R567 HydrophobicContact CD1-CG 4.25Å; Y563-R567 HydrophobicContact CE1-CG 3.85Å; Y563-R567 HydrophobicContact CE2-CG 4.19Å; Y563-R567 WeakPolarHBondContact O-CG 3.49Å; Y563-R567 PolarHBondContact O-N 3.22Å; N564-R567 PolarHBondContact O-N 3.19Å; R567-E570 IonicContact CZ-OE2 3.76Å; R567-E570 IonicContact NH1-OE1 2.65Å; R567-E570 IonicContact NH1-OE2 2.73Å; R567-E570 PolarHBondContact NH1-OE2 2.93Å; R567-V571 WeakPolarHBondContact O-CG2 3.45Å; R567-V571 PolarHBondContact O-N 3.12Å; R567-Y582 VanDerWaalsContact CA-OH 3.26Å; R567-Y582 WeakPolarHBondContact CA-OH 3.5Å; R567-Y582 VanDerWaalsContact CD-OH 3.24Å; R567-Y582 WeakPolarHBondContact CD-OH 3.47Å; R567-Y582 PolarHBondContact N-OH 3.03Å; R567-Y582 VanDerWaalsContact N-OH 3.11Å
568L88.4Confident90.2Very high4 Ų446.9 Ų46.92%0.02123%0.232CC..Hα-helixtrans-75.9-51.6175.7179.450000111.7F517 Y522 D532 I533 F536 N564 L565 G566 E570 V571 T572F517-L568 HydrophobicContact CD2-CD1 4.19Å; Y522-L568 HydrophobicContact CD1-CD1 4Å; Y522-L568 HydrophobicContact CG-CD1 4.5Å; D532-L568 HydrophobicContact CB-CD2 4.01Å; D532-L568 WeakPolarHBondContact OD1-CD1 3.45Å; D532-L568 WeakPolarHBondContact OD1-CD2 3.34Å; D532-L568 WeakPolarHBondContact OD2-CD1 3.35Å; I533-L568 HydrophobicContact CB-CD2 4.3Å; I533-L568 HydrophobicContact CG1-CD1 4.48Å; I533-L568 HydrophobicContact CG1-CD2 3.58Å; I533-L568 HydrophobicContact CG1-CG 4.15Å; F536-L568 HydrophobicContact CD2-CD2 3.72Å; F536-L568 HydrophobicContact CE2-CD2 4.06Å; N564-L568 WeakPolarHBondContact O-CB 3.44Å; N564-L568 PolarHBondContact O-N 3.18Å; L565-L568 WeakPolarHBondContact O-CB 3.24Å; L565-L568 PolarHBondContact O-N 2.94Å; G566-L568 PolarHBondContact O-N 3.33Å; L568-E570 PolarHBondContact O-N 2.69Å; L568-V571 CarbonylContact O-C 3.46Å; L568-V571 WeakPolarHBondContact O-CA 3.4Å; L568-V571 PolarHBondContact O-N 2.89Å; L568-T572 HydrophobicContact CD1-CG2 3.99Å; L568-T572 PolarHBondContact O-N 3.33Å; L568-T572 PolarHBondContact O-OG1 3.2Å
569S89Confident90.4Very high17 Ų1747.9 Ų47.912%0.11924%0.236CC..Hα-helixtrans-52.6-42.1173.3-73.70000112.1L565 G566 V571 T572 Y573 D574L565-S569 PolarHBondContact O-N 3.13Å; L565-S569 PolarHBondContact O-OG 3.38Å; G566-S569 PolarHBondContact O-N 3.35Å; S569-V571 VanDerWaalsContact C-N 3.26Å; S569-V571 PolarHBondContact O-N 3.4Å; S569-T572 WeakPolarHBondContact CA-OG1 3.43Å; S569-T572 PolarHBondContact O-N 2.89Å; S569-T572 PolarHBondContact O-OG1 3.47Å; S569-Y573 PolarHBondContact O-N 2.79Å; S569-D574 CarbonylContact O-C 3.58Å; S569-D574 PolarHBondContact O-N 3.11Å
570E90.2Very high90.5Very high18 Ų1852.5 Ų52.58%0.08426%0.255CS..Hα-helixtrans-61.4-31.9176.7-170.3-176.2176.600112.8G566 R567 L568 M575 A578 Y582 R598 M602G566-E570 VanDerWaalsContact O-CB 3.28Å; G566-E570 WeakPolarHBondContact O-CB 3.48Å; G566-E570 PolarHBondContact O-N 3.39Å; R567-E570 IonicContact CZ-OE2 3.76Å; R567-E570 IonicContact NH1-OE1 2.65Å; R567-E570 IonicContact NH1-OE2 2.73Å; R567-E570 PolarHBondContact NH1-OE2 2.93Å; L568-E570 PolarHBondContact O-N 2.69Å; E570-M575 HydrophobicContact CG-SD 4.41Å; E570-A578 HydrophobicContact CB-CB 3.97Å; E570-Y582 PolarHBondContact OE2-OH 3.44Å; E570-R598 IonicContact OE1-CZ 2.91Å; E570-R598 IonicContact OE1-NE 3.7Å; E570-R598 PolarHBondContact OE1-NE 3.11Å; E570-R598 IonicContact OE1-NH2 3.29Å; E570-R598 PolarHBondContact OE1-NH2 3.43Å; E570-R598 IonicContact OE2-CZ 3.81Å; E570-R598 IonicContact OE2-NE 3.81Å; E570-R598 PolarHBondContact OE2-NE 3.06Å; E570-R598 IonicContact OE2-NH2 2.75Å; E570-R598 PolarHBondContact OE2-NH2 3.16Å; E570-M602 HydrophobicContact CG-CG 3.99Å; E570-M602 HydrophobicContact CG-SD 4.29Å; E570-M602 WeakPolarHBondContact OE1-CG 3.49Å
571V86.9Confident90.6Very high40 Ų4050.8 Ų50.824%0.24224%0.243CC..Hα-helixtrans-90.9-24.8179.6173.10000112.5F517 Y522 R567 L568 S569 Y573F517-V571 HydrophobicContact CE2-CB 4.07Å; F517-V571 HydrophobicContact CE2-CG1 4.48Å; F517-V571 HydrophobicContact CE2-CG2 3.85Å; F517-V571 HydrophobicContact CZ-CG2 3.9Å; Y522-V571 HydrophobicContact CD1-CG1 4.11Å; Y522-V571 HydrophobicContact CD2-CG1 4.27Å; Y522-V571 HydrophobicContact CE1-CG1 3.59Å; Y522-V571 HydrophobicContact CE2-CG1 3.76Å; Y522-V571 HydrophobicContact CG-CG1 4.43Å; R567-V571 WeakPolarHBondContact O-CG2 3.45Å; R567-V571 PolarHBondContact O-N 3.12Å; L568-V571 CarbonylContact O-C 3.46Å; L568-V571 WeakPolarHBondContact O-CA 3.4Å; L568-V571 PolarHBondContact O-N 2.89Å; S569-V571 VanDerWaalsContact C-N 3.26Å; S569-V571 PolarHBondContact O-N 3.4Å; V571-Y573 PolarHBondContact O-N 3.01Å
572T86.2Confident90.8Very high57 Ų5750.8 Ų50.835%0.3524%0.243SC..THydrogen-bonded Turntrans-82.69.6168.959.80000113.3L568 S569 D574L568-T572 HydrophobicContact CD1-CG2 3.99Å; L568-T572 PolarHBondContact O-N 3.33Å; L568-T572 PolarHBondContact O-OG1 3.2Å; S569-T572 WeakPolarHBondContact CA-OG1 3.43Å; S569-T572 PolarHBondContact O-N 2.89Å; S569-T572 PolarHBondContact O-OG1 3.47Å; T572-D574 PolarHBondContact O-N 3.08Å
573Y84.4Confident90.9Very high201 Ų20152.9 Ų52.979%0.78825%0.248SC*.THydrogen-bonded Turntrans63.415.7-177.8-57.1-84.1000115.6S569 V571 M575S569-Y573 PolarHBondContact O-N 2.79Å; V571-Y573 PolarHBondContact O-N 3.01Å; Y573-M575 PolarHBondContact O-N 3.21Å
574D89.5Confident90.9Very high73 Ų7354.4 Ų54.439%0.3926%0.258SS..  trans-82.972.7169.7-172.3-7.8000109.5S569 T572 E576 Q577 A578S569-D574 CarbonylContact O-C 3.58Å; S569-D574 PolarHBondContact O-N 3.11Å; T572-D574 PolarHBondContact O-N 3.08Å; D574-E576 VanDerWaalsContact C-N 3.27Å; D574-E576 PolarHBondContact O-N 3.37Å; D574-Q577 HydrophobicContact CB-CB 4.49Å; D574-Q577 WeakPolarHBondContact OD1-CB 3.3Å; D574-Q577 PolarHBondContact OD1-N 2.87Å; D574-Q577 VanDerWaalsContact OD1-N 3.11Å; D574-Q577 VanDerWaalsContact OD2-CB 3.23Å; D574-Q577 WeakPolarHBondContact OD2-CB 3.37Å; D574-A578 VanDerWaalsContact O-CB 3.3Å; D574-A578 WeakPolarHBondContact O-CB 3.42Å; D574-A578 PolarHBondContact O-N 2.81Å
575M89Confident91Very high47 Ų4753.4 Ų53.423%0.23225%0.252CS..Hα-helixtrans-71.2-20.9-172.4-61.6-64.2-77.200113.1E570 Y573 E579 M602 R606E570-M575 HydrophobicContact CG-SD 4.41Å; Y573-M575 PolarHBondContact O-N 3.21Å; M575-E579 VanDerWaalsContact O-CB 3.28Å; M575-E579 WeakPolarHBondContact O-CB 3.19Å; M575-E579 PolarHBondContact O-N 3.26Å; M575-M602 HydrophobicContact CB-CE 4.28Å; M575-M602 HydrophobicContact CE-CB 3.89Å; M575-M602 HydrophobicContact CE-CE 3.75Å; M575-M602 HydrophobicContact CE-CG 3.86Å; M575-M602 VanDerWaalsContact O-CE 3.24Å; M575-M602 WeakPolarHBondContact O-CE 3.48Å; M575-M602 HydrophobicContact SD-CE 4.12Å; M575-R606 PolarHBondContact O-NH2 2.97Å
576E91.7Very high91.1Very high166 Ų16652.8 Ų52.878%0.77625%0.249SC*.Hα-helixtrans-79.3-48.5177.4-66.8-177.4-169.900110.5D574 A578 E579 K580D574-E576 VanDerWaalsContact C-N 3.27Å; D574-E576 PolarHBondContact O-N 3.37Å; E576-A578 VanDerWaalsContact C-N 3.34Å; E576-A578 PolarHBondContact O-N 3.21Å; E576-E579 PolarHBondContact O-N 3.08Å; E576-K580 WeakPolarHBondContact O-CB 3.43Å; E576-K580 PolarHBondContact O-N 2.93Å
577Q91Very high91.2Very high79 Ų7959.5 Ų59.537%0.36928%0.282SS..Hα-helixtrans-66.2-36.8176.5-174.357.430.400111.7D574 K580 I581D574-Q577 HydrophobicContact CB-CB 4.49Å; D574-Q577 WeakPolarHBondContact OD1-CB 3.3Å; D574-Q577 PolarHBondContact OD1-N 2.87Å; D574-Q577 VanDerWaalsContact OD1-N 3.11Å; D574-Q577 VanDerWaalsContact OD2-CB 3.23Å; D574-Q577 WeakPolarHBondContact OD2-CB 3.37Å; Q577-K580 PolarHBondContact O-N 3.35Å; Q577-I581 HydrophobicContact CG-CD1 3.94Å; Q577-I581 WeakPolarHBondContact O-CB 3.47Å; Q577-I581 WeakPolarHBondContact O-CD1 3.35Å; Q577-I581 VanDerWaalsContact O-CG1 3.23Å; Q577-I581 WeakPolarHBondContact O-CG1 3.49Å; Q577-I581 PolarHBondContact O-N 2.87Å
578A92.6Very high91.1Very high0 Ų062.7 Ų62.70%030%0.299CS..Hα-helixtrans-61.7-47.9173.500000112.2E570 D574 E576 K580 I581 Y582 M602E570-A578 HydrophobicContact CB-CB 3.97Å; D574-A578 VanDerWaalsContact O-CB 3.3Å; D574-A578 WeakPolarHBondContact O-CB 3.42Å; D574-A578 PolarHBondContact O-N 2.81Å; E576-A578 VanDerWaalsContact C-N 3.34Å; E576-A578 PolarHBondContact O-N 3.21Å; A578-K580 VanDerWaalsContact C-N 3.31Å; A578-K580 PolarHBondContact O-N 3.11Å; A578-I581 PolarHBondContact O-N 3.37Å; A578-Y582 HydrophobicContact CB-CE2 4.33Å; A578-Y582 WeakPolarHBondContact O-CD2 3.19Å; A578-Y582 PolarHBondContact O-N 3.5Å; A578-Y582 VanDerWaalsContact O-N 3.08Å; A578-M602 HydrophobicContact CB-CE 3.77Å; A578-M602 HydrophobicContact CB-SD 4.33Å
579E93.8Very high91.2Very high45 Ų4566 Ų6621%0.2131%0.314CS..Hα-helixtrans-63.4-39.2179.1-178.6174.7156.700111.6M575 E576 K583 L599 M602 R606M575-E579 VanDerWaalsContact O-CB 3.28Å; M575-E579 WeakPolarHBondContact O-CB 3.19Å; M575-E579 PolarHBondContact O-N 3.26Å; E576-E579 PolarHBondContact O-N 3.08Å; E579-K583 HydrophobicContact CG-CD 4.11Å; E579-K583 WeakPolarHBondContact O-CB 3.49Å; E579-K583 WeakPolarHBondContact O-CG 3.32Å; E579-K583 PolarHBondContact O-N 3.38Å; E579-K583 VanDerWaalsContact O-N 3.14Å; E579-K583 WeakPolarHBondContact OE1-CE 2.9Å; E579-K583 IonicContact OE1-NZ 3.56Å; E579-K583 PolarHBondContact OE1-NZ 3.02Å; E579-L599 HydrophobicContact CB-CD2 4.43Å; E579-L599 HydrophobicContact CG-CD2 3.88Å; E579-M602 HydrophobicContact CB-CE 3.96Å; E579-R606 IonicContact OE2-CZ 2.71Å; E579-R606 IonicContact OE2-NH1 3.48Å; E579-R606 PolarHBondContact OE2-NH1 3.36Å; E579-R606 IonicContact OE2-NH2 3.83Å; E579-R606 PolarHBondContact OE2-NH2 2.98Å
580K95.1Very high91.3Very high116 Ų11668.2 Ų68.250%0.50433%0.328SS..Hα-helixtrans-60.7-53.3173.2-175.7-177.6174-176.20111.5E576 Q577 A578 Y582 K583 D584E576-K580 WeakPolarHBondContact O-CB 3.43Å; E576-K580 PolarHBondContact O-N 2.93Å; Q577-K580 PolarHBondContact O-N 3.35Å; A578-K580 VanDerWaalsContact C-N 3.31Å; A578-K580 PolarHBondContact O-N 3.11Å; K580-Y582 VanDerWaalsContact C-N 3.32Å; K580-Y582 PolarHBondContact O-N 3.43Å; K580-K583 PolarHBondContact O-N 3.43Å; K580-D584 VanDerWaalsContact CE-OD2 3.32Å; K580-D584 WeakPolarHBondContact CE-OD2 3.42Å; K580-D584 WeakPolarHBondContact CG-OD2 3.49Å; K580-D584 VanDerWaalsContact O-CG 3.29Å; K580-D584 PolarHBondContact O-N 3.21Å
581I93.5Very high91.3Very high22 Ų2275 Ų7511%0.11336%0.36CS..Hα-helixtrans-56.5-44.4-178.5-71.7164.8000111.6S562 L565 Q577 A578 K583 D584 I585S562-I581 WeakPolarHBondContact O-CG2 3.47Å; L565-I581 HydrophobicContact CB-CD1 4.31Å; Q577-I581 HydrophobicContact CG-CD1 3.94Å; Q577-I581 WeakPolarHBondContact O-CB 3.47Å; Q577-I581 WeakPolarHBondContact O-CD1 3.35Å; Q577-I581 VanDerWaalsContact O-CG1 3.23Å; Q577-I581 WeakPolarHBondContact O-CG1 3.49Å; Q577-I581 PolarHBondContact O-N 2.87Å; A578-I581 PolarHBondContact O-N 3.37Å; I581-K583 VanDerWaalsContact C-N 3.35Å; I581-K583 PolarHBondContact O-N 3.11Å; I581-D584 PolarHBondContact O-N 2.95Å; I581-I585 HydrophobicContact CG2-CD1 3.91Å; I581-I585 WeakPolarHBondContact O-CD1 3.47Å; I581-I585 VanDerWaalsContact O-CG1 3.3Å; I581-I585 WeakPolarHBondContact O-CG1 3.34Å; I581-I585 PolarHBondContact O-N 3.02Å
582Y95.6Very high91.4Very high0 Ų075.9 Ų75.90%036%0.36CS..Hα-helixtrans-66.1-36177.9-62.1-46.4000112.8Y563 G566 R567 E570 A578 K580 L586 C595 R598 L599 M602Y563-Y582 HydrophobicContact CD2-CD1 4.21Å; Y563-Y582 AromaticContact CD2-CE1 3.81Å; Y563-Y582 HydrophobicContact CD2-CE1 3.81Å; Y563-Y582 AromaticContact CE2-CE1 3.95Å; Y563-Y582 HydrophobicContact CE2-CE1 3.95Å; G566-Y582 PolarHBondContact O-OH 3.3Å; R567-Y582 VanDerWaalsContact CA-OH 3.26Å; R567-Y582 WeakPolarHBondContact CA-OH 3.5Å; R567-Y582 VanDerWaalsContact CD-OH 3.24Å; R567-Y582 WeakPolarHBondContact CD-OH 3.47Å; R567-Y582 PolarHBondContact N-OH 3.03Å; R567-Y582 VanDerWaalsContact N-OH 3.11Å; E570-Y582 PolarHBondContact OE2-OH 3.44Å; A578-Y582 HydrophobicContact CB-CE2 4.33Å; A578-Y582 WeakPolarHBondContact O-CD2 3.19Å; A578-Y582 PolarHBondContact O-N 3.5Å; A578-Y582 VanDerWaalsContact O-N 3.08Å; K580-Y582 VanDerWaalsContact C-N 3.32Å; K580-Y582 PolarHBondContact O-N 3.43Å; Y582-L586 VanDerWaalsContact O-CG 3.31Å; Y582-L586 WeakPolarHBondContact O-CG 3.31Å; Y582-L586 PolarHBondContact O-N 2.85Å; Y582-L586 VanDerWaalsContact O-N 3.07Å; Y582-C595 HydrophobicContact CD1-CB 4.49Å; Y582-R598 HydrophobicContact CD1-CB 4.45Å; Y582-R598 HydrophobicContact CD2-CB 4.03Å; Y582-R598 HydrophobicContact CE1-CB 4.02Å; Y582-R598 HydrophobicContact CE1-CG 3.96Å; Y582-R598 HydrophobicContact CE2-CB 3.56Å; Y582-R598 HydrophobicContact CE2-CG 4.24Å; Y582-R598 HydrophobicContact CG-CB 4.45Å; Y582-L599 HydrophobicContact CD2-CD2 4.13Å; Y582-L599 HydrophobicContact CD2-CG 4.35Å; Y582-M602 HydrophobicContact CD2-SD 3.79Å; Y582-M602 HydrophobicContact CE2-SD 3.57Å; Y582-M602 VanDerWaalsContact CE2-SD 3.57Å
583K94.5Very high91.7Very high83 Ų8374.3 Ų74.336%0.36135%0.35SS..Hα-helixtrans-69.3-41.7175-75.5172.3172.9176.40112.1E579 K580 I581 I585 L586 M587 L599E579-K583 HydrophobicContact CG-CD 4.11Å; E579-K583 WeakPolarHBondContact O-CB 3.49Å; E579-K583 WeakPolarHBondContact O-CG 3.32Å; E579-K583 PolarHBondContact O-N 3.38Å; E579-K583 VanDerWaalsContact O-N 3.14Å; E579-K583 WeakPolarHBondContact OE1-CE 2.9Å; E579-K583 IonicContact OE1-NZ 3.56Å; E579-K583 PolarHBondContact OE1-NZ 3.02Å; K580-K583 PolarHBondContact O-N 3.43Å; I581-K583 VanDerWaalsContact C-N 3.35Å; I581-K583 PolarHBondContact O-N 3.11Å; K583-I585 VanDerWaalsContact C-N 3.33Å; K583-I585 PolarHBondContact O-N 3.29Å; K583-L586 PolarHBondContact O-N 2.91Å; K583-L586 VanDerWaalsContact O-N 3.12Å; K583-M587 WeakPolarHBondContact O-CG 3.35Å; K583-M587 PolarHBondContact O-N 3.28Å; K583-L599 HydrophobicContact CG-CD1 4.43Å
584D94.2Very high92Very high63 Ų6367.8 Ų67.834%0.33733%0.329SS..Hα-helixtrans-59.2-44.7175.6-66.8-14.8000110.5K580 I581 L586 M587 E588K580-D584 VanDerWaalsContact CE-OD2 3.32Å; K580-D584 WeakPolarHBondContact CE-OD2 3.42Å; K580-D584 WeakPolarHBondContact CG-OD2 3.49Å; K580-D584 VanDerWaalsContact O-CG 3.29Å; K580-D584 PolarHBondContact O-N 3.21Å; I581-D584 PolarHBondContact O-N 2.95Å; D584-L586 PolarHBondContact O-N 3.31Å; D584-M587 HydrophobicContact CB-CE 4.45Å; D584-M587 PolarHBondContact O-N 3.29Å; D584-M587 VanDerWaalsContact OD1-CE 3.31Å; D584-M587 WeakPolarHBondContact OD1-CE 3.48Å; D584-E588 PolarHBondContact O-N 3.04Å
585I93.5Very high92.2Very high11 Ų1164.3 Ų64.36%0.05631%0.31CS..Hα-helixtrans-61.4-41.3173.4-67.1162.5000112V559 I581 K583 E588 H589 Y592V559-I585 HydrophobicContact CG1-CG2 4.11Å; I581-I585 HydrophobicContact CG2-CD1 3.91Å; I581-I585 WeakPolarHBondContact O-CD1 3.47Å; I581-I585 VanDerWaalsContact O-CG1 3.3Å; I581-I585 WeakPolarHBondContact O-CG1 3.34Å; I581-I585 PolarHBondContact O-N 3.02Å; K583-I585 VanDerWaalsContact C-N 3.33Å; K583-I585 PolarHBondContact O-N 3.29Å; I585-E588 PolarHBondContact O-N 2.71Å; I585-H589 PolarHBondContact O-N 2.86Å; I585-Y592 HydrophobicContact CG2-CD1 4.22Å; I585-Y592 HydrophobicContact CG2-CG 4.27Å
586L92.7Very high92.5Very high19 Ų1963.4 Ų63.410%0.09930%0.304CS..Hα-helixtrans-72.3-24.7-180-74.2177.2000113.8Y582 K583 D584 P590 C595 Y596 L599Y582-L586 VanDerWaalsContact O-CG 3.31Å; Y582-L586 WeakPolarHBondContact O-CG 3.31Å; Y582-L586 PolarHBondContact O-N 2.85Å; Y582-L586 VanDerWaalsContact O-N 3.07Å; K583-L586 PolarHBondContact O-N 2.91Å; K583-L586 VanDerWaalsContact O-N 3.12Å; D584-L586 PolarHBondContact O-N 3.31Å; L586-P590 WeakPolarHBondContact O-CA 3.48Å; L586-P590 WeakPolarHBondContact O-CG 3.35Å; L586-C595 HydrophobicContact CD1-CB 3.87Å; L586-C595 HydrophobicContact CD2-CB 3.78Å; L586-C595 HydrophobicContact CG-CB 3.64Å; L586-Y596 HydrophobicContact CD1-CD1 4.17Å; L586-Y596 HydrophobicContact CD1-CD2 4.16Å; L586-Y596 HydrophobicContact CD1-CE1 4.02Å; L586-Y596 HydrophobicContact CD1-CE2 4.03Å; L586-Y596 HydrophobicContact CD1-CG 4.23Å; L586-Y596 HydrophobicContact CD2-CD2 3.7Å; L586-Y596 HydrophobicContact CD2-CE2 3.28Å; L586-Y596 HydrophobicContact CG-CE2 4.29Å; L586-L599 HydrophobicContact CD1-CD1 3.8Å
587M92.6Very high92.5Very high141 Ų14155.9 Ų55.970%0.69527%0.269SS*.Hα-helixtrans-68-37.4171.6-72.3-170.1-6800111.9K583 D584K583-M587 WeakPolarHBondContact O-CG 3.35Å; K583-M587 PolarHBondContact O-N 3.28Å; D584-M587 HydrophobicContact CB-CE 4.45Å; D584-M587 PolarHBondContact O-N 3.29Å; D584-M587 VanDerWaalsContact OD1-CE 3.31Å; D584-M587 WeakPolarHBondContact OD1-CE 3.48Å
588E89.7Confident92.7Very high115 Ų11554.7 Ų54.754%0.53726%0.261SS..Hα-helixtrans-84-35.2176.4-63.6-160.3-150.700113.2K555 D584 I585K555-E588 WeakPolarHBondContact CE-OE2 3.47Å; K555-E588 IonicContact NZ-OE2 3.91Å; K555-E588 PolarHBondContact NZ-OE2 3.45Å; D584-E588 PolarHBondContact O-N 3.04Å; I585-E588 PolarHBondContact O-N 2.71Å
589H90.1Very high92.8Very high73 Ų7355 Ų5534%0.33826%0.263SS..  trans-133.775.7-174.8-63.4-68.9000112.5V559 I585 Q591 Y592V559-H589 VanDerWaalsContact CG2-CD2 3.47Å; V559-H589 WeakPolarHBondContact CG2-CD2 3.26Å; I585-H589 PolarHBondContact O-N 2.86Å; H589-Q591 PolarHBondContact O-N 3.03Å; H589-Y592 WeakPolarHBondContact O-CB 3.21Å; H589-Y592 PolarHBondContact O-N 3.39Å
590P90.8Very high92.8Very high64 Ų6452.9 Ų52.942%0.41625%0.253SS..THydrogen-bonded Turntrans-59.7-15-178.5-25.333.9000115.6L586 Y592 Y596 F622L586-P590 WeakPolarHBondContact O-CA 3.48Å; L586-P590 WeakPolarHBondContact O-CG 3.35Å; P590-Y592 VanDerWaalsContact C-N 3.35Å; P590-Y596 WeakPolarHBondContact O-CE2 3.39Å; P590-F622 WeakPolarHBondContact O-CE2 3.35Å; P590-F622 VanDerWaalsContact O-CZ 3.22Å; P590-F622 WeakPolarHBondContact O-CZ 3.08Å
591Q89.6Confident92.7Very high161 Ų16147.5 Ų47.575%0.75223%0.23SC*.THydrogen-bonded Turntrans-86.7-2.1178.1-62.7179.8-0.600113.3H589 T593 F622H589-Q591 PolarHBondContact O-N 3.03Å; Q591-T593 VanDerWaalsContact C-N 3.34Å; Q591-T593 PolarHBondContact O-N 3.06Å; Q591-F622 HydrophobicContact CG-CD1 4.28Å
592Y90.3Very high92.6Very high58 Ų5846.6 Ų46.623%0.22723%0.225CC..  trans-77.479.5-174.4-159.9-89.7000112V559 Y563 I585 H589 P590 D594 C595V559-Y592 HydrophobicContact CG1-CD2 4.32Å; V559-Y592 HydrophobicContact CG1-CE2 4.16Å; Y563-Y592 AromaticContact CD2-CE1 3.74Å; Y563-Y592 HydrophobicContact CD2-CE1 3.74Å; Y563-Y592 HydrophobicContact CE2-CE1 4.2Å; Y563-Y592 HydrophobicContact CG-CE1 4.04Å; I585-Y592 HydrophobicContact CG2-CD1 4.22Å; I585-Y592 HydrophobicContact CG2-CG 4.27Å; H589-Y592 WeakPolarHBondContact O-CB 3.21Å; H589-Y592 PolarHBondContact O-N 3.39Å; P590-Y592 VanDerWaalsContact C-N 3.35Å; Y592-D594 VanDerWaalsContact C-N 3.27Å; Y592-D594 HydrophobicContact CD1-CB 4.24Å; Y592-D594 HydrophobicContact CE1-CB 3.84Å; Y592-D594 PolarHBondContact O-N 3.31Å; Y592-D594 VanDerWaalsContact O-N 3.13Å; Y592-C595 HydrophobicContact CD1-CB 4.09Å; Y592-C595 VanDerWaalsContact CD1-SG 3.51Å; Y592-C595 PolarHBondContact O-N 3.47Å; Y592-C595 VanDerWaalsContact O-N 3.11Å
593T91.6Very high92.4Very high24 Ų2446.7 Ų46.715%0.14723%0.227CC..Hα-helixtrans-51.9-36.7-171.7530000114.8Q591 C595 Y596 L597 F622 N623Q591-T593 VanDerWaalsContact C-N 3.34Å; Q591-T593 PolarHBondContact O-N 3.06Å; T593-C595 VanDerWaalsContact C-N 3.29Å; T593-C595 PolarHBondContact O-N 3.37Å; T593-Y596 WeakPolarHBondContact O-CB 3.3Å; T593-Y596 PolarHBondContact O-N 3.23Å; T593-Y596 VanDerWaalsContact O-N 3.15Å; T593-L597 PolarHBondContact O-N 3.46Å; T593-L597 VanDerWaalsContact O-N 3.14Å; T593-F622 HydrophobicContact CG2-CB 4.3Å; T593-N623 HydrophobicContact CG2-CB 4.48Å
594D91.2Very high92.3Very high64 Ų6446.8 Ų46.834%0.34222%0.224SC..Hα-helixtrans-59.7-33.7179.9-81.6-39.9000113.7Y563 Y592 L597 R598Y563-D594 HydrophobicContact CE2-CB 3.91Å; Y592-D594 VanDerWaalsContact C-N 3.27Å; Y592-D594 HydrophobicContact CD1-CB 4.24Å; Y592-D594 HydrophobicContact CE1-CB 3.84Å; Y592-D594 PolarHBondContact O-N 3.31Å; Y592-D594 VanDerWaalsContact O-N 3.13Å; D594-L597 PolarHBondContact O-N 2.66Å; D594-R598 WeakPolarHBondContact O-CG 3.29Å; D594-R598 PolarHBondContact O-N 3.38Å
595C93.5Very high92Very high0 Ų048.6 Ų48.60%023%0.234CC..Hα-helixtrans-64.6-42.1176.5-79.80000111.6Y582 L586 Y592 T593 L597 R598 L599Y582-C595 HydrophobicContact CD1-CB 4.49Å; L586-C595 HydrophobicContact CD1-CB 3.87Å; L586-C595 HydrophobicContact CD2-CB 3.78Å; L586-C595 HydrophobicContact CG-CB 3.64Å; Y592-C595 HydrophobicContact CD1-CB 4.09Å; Y592-C595 VanDerWaalsContact CD1-SG 3.51Å; Y592-C595 PolarHBondContact O-N 3.47Å; Y592-C595 VanDerWaalsContact O-N 3.11Å; T593-C595 VanDerWaalsContact C-N 3.29Å; T593-C595 PolarHBondContact O-N 3.37Å; C595-L597 VanDerWaalsContact C-N 3.3Å; C595-L597 PolarHBondContact O-N 2.89Å; C595-R598 PolarHBondContact O-N 2.88Å; C595-L599 WeakPolarHBondContact O-CB 3.37Å; C595-L599 WeakPolarHBondContact O-CG 3.19Å; C595-L599 PolarHBondContact O-N 2.85Å
596Y94Very high91.8Very high27 Ų2753.1 Ų53.111%0.10625%0.251CS..Hα-helixtrans-61.2-39.5172.2-67.7-84.4000111.6L586 P590 T593 G600 W615 E618 F622L586-Y596 HydrophobicContact CD1-CD1 4.17Å; L586-Y596 HydrophobicContact CD1-CD2 4.16Å; L586-Y596 HydrophobicContact CD1-CE1 4.02Å; L586-Y596 HydrophobicContact CD1-CE2 4.03Å; L586-Y596 HydrophobicContact CD1-CG 4.23Å; L586-Y596 HydrophobicContact CD2-CD2 3.7Å; L586-Y596 HydrophobicContact CD2-CE2 3.28Å; L586-Y596 HydrophobicContact CG-CE2 4.29Å; P590-Y596 WeakPolarHBondContact O-CE2 3.39Å; T593-Y596 WeakPolarHBondContact O-CB 3.3Å; T593-Y596 PolarHBondContact O-N 3.23Å; T593-Y596 VanDerWaalsContact O-N 3.15Å; Y596-G600 PolarHBondContact O-N 3.41Å; Y596-W615 HydrophobicContact CD1-CE3 4Å; Y596-W615 HydrophobicContact CD1-CZ3 4.43Å; Y596-W615 HydrophobicContact CE1-CE3 4.48Å; Y596-E618 HydrophobicContact CD1-CB 3.71Å; Y596-E618 HydrophobicContact CE1-CB 3.82Å; Y596-E618 WeakPolarHBondContact CE1-OE2 3.23Å; Y596-F622 HydrophobicContact CE2-CD2 4.25Å; Y596-F622 AromaticContact CE2-CE2 3.72Å; Y596-F622 HydrophobicContact CE2-CE2 3.72Å; Y596-F622 AromaticContact CZ-CE2 3.79Å
597L93.8Very high91.5Very high8 Ų854.7 Ų54.74%0.04227%0.271CS..Hα-helixtrans-69-34.8177.5-59.2-172.4000112.5T593 D594 C595 C601 F616 A619 D628 A629 L632T593-L597 PolarHBondContact O-N 3.46Å; T593-L597 VanDerWaalsContact O-N 3.14Å; D594-L597 PolarHBondContact O-N 2.66Å; C595-L597 VanDerWaalsContact C-N 3.3Å; C595-L597 PolarHBondContact O-N 2.89Å; L597-C601 PolarHBondContact O-N 3.22Å; L597-C601 PolarHBondContact O-SG 3.05Å; L597-F616 HydrophobicContact CD2-CD1 3.95Å; L597-A619 HydrophobicContact CD2-CB 3.66Å; L597-A619 HydrophobicContact CG-CB 4.33Å; L597-D628 HydrophobicContact CD1-CB 3.99Å; L597-A629 HydrophobicContact CD2-CB 3.88Å; L597-L632 HydrophobicContact CB-CD1 4.13Å; L597-L632 HydrophobicContact CD1-CD1 4.41Å; L597-L632 HydrophobicContact CD2-CD1 4.09Å; L597-L632 HydrophobicContact CG-CD1 4.43Å
598R94.3Very high91.5Very high55 Ų5551.8 Ų51.821%0.20826%0.256CS..Hα-helixtrans-68.8-48.9171.8-63.4-41.1-54.2162.36.5112Y563 E570 Y582 D594 C595 G600 C601 M602Y563-R598 HydrophobicContact CE2-CG 3.8Å; E570-R598 IonicContact OE1-CZ 2.91Å; E570-R598 IonicContact OE1-NE 3.7Å; E570-R598 PolarHBondContact OE1-NE 3.11Å; E570-R598 IonicContact OE1-NH2 3.29Å; E570-R598 PolarHBondContact OE1-NH2 3.43Å; E570-R598 IonicContact OE2-CZ 3.81Å; E570-R598 IonicContact OE2-NE 3.81Å; E570-R598 PolarHBondContact OE2-NE 3.06Å; E570-R598 IonicContact OE2-NH2 2.75Å; E570-R598 PolarHBondContact OE2-NH2 3.16Å; Y582-R598 HydrophobicContact CD1-CB 4.45Å; Y582-R598 HydrophobicContact CD2-CB 4.03Å; Y582-R598 HydrophobicContact CE1-CB 4.02Å; Y582-R598 HydrophobicContact CE1-CG 3.96Å; Y582-R598 HydrophobicContact CE2-CB 3.56Å; Y582-R598 HydrophobicContact CE2-CG 4.24Å; Y582-R598 HydrophobicContact CG-CB 4.45Å; D594-R598 WeakPolarHBondContact O-CG 3.29Å; D594-R598 PolarHBondContact O-N 3.38Å; C595-R598 PolarHBondContact O-N 2.88Å; R598-G600 VanDerWaalsContact C-N 3.27Å; R598-G600 PolarHBondContact O-N 3.19Å; R598-C601 CarbonylContact O-C 3.45Å; R598-C601 WeakPolarHBondContact O-CA 3.49Å; R598-C601 WeakPolarHBondContact O-CB 3.32Å; R598-C601 PolarHBondContact O-N 3.41Å; R598-M602 WeakPolarHBondContact O-CG 3.22Å; R598-M602 PolarHBondContact O-N 2.6Å
599L94.3Very high91.4Very high6 Ų649 Ų493%0.03124%0.244CC..Hα-helixtrans-56.5-41.6176.1-71.4171.4000111.9E579 Y582 K583 L586 C595 M602 A603 W615E579-L599 HydrophobicContact CB-CD2 4.43Å; E579-L599 HydrophobicContact CG-CD2 3.88Å; Y582-L599 HydrophobicContact CD2-CD2 4.13Å; Y582-L599 HydrophobicContact CD2-CG 4.35Å; K583-L599 HydrophobicContact CG-CD1 4.43Å; L586-L599 HydrophobicContact CD1-CD1 3.8Å; C595-L599 WeakPolarHBondContact O-CB 3.37Å; C595-L599 WeakPolarHBondContact O-CG 3.19Å; C595-L599 PolarHBondContact O-N 2.85Å; L599-M602 HydrophobicContact CD2-SD 4.49Å; L599-M602 PolarHBondContact O-N 3.29Å; L599-A603 WeakPolarHBondContact O-CB 3.38Å; L599-A603 PolarHBondContact O-N 2.88Å; L599-W615 HydrophobicContact CB-CD2 4.05Å; L599-W615 HydrophobicContact CB-CE3 4.46Å; L599-W615 HydrophobicContact CB-CG 4.19Å; L599-W615 HydrophobicContact CD1-CE3 4.36Å; L599-W615 HydrophobicContact CD1-CH2 4.31Å; L599-W615 HydrophobicContact CD1-CZ3 4.19Å
600G93.6Very high91.4Very high0 Ų053.6 Ų53.60%026%0.26CS..Hα-helixtrans-65.6-35.2173.400000114.1Y596 R598 R604 A612 F616Y596-G600 PolarHBondContact O-N 3.41Å; R598-G600 VanDerWaalsContact C-N 3.27Å; R598-G600 PolarHBondContact O-N 3.19Å; G600-R604 WeakPolarHBondContact O-CB 3.25Å; G600-R604 PolarHBondContact O-N 3.25Å; G600-A612 VanDerWaalsContact O-CB 3.28Å; G600-A612 WeakPolarHBondContact O-CB 3.33Å; G600-F616 VanDerWaalsContact C-CE1 3.47Å; G600-F616 VanDerWaalsContact CA-CE1 3.48Å; G600-F616 WeakPolarHBondContact O-CZ 3.47Å
601C92.5Very high91.5Very high4 Ų453.9 Ų53.93%0.02726%0.258CS..Hα-helixtrans-66.7-44.7171.3-70.40000111.9L597 R598 A603 R604 D605L597-C601 PolarHBondContact O-N 3.22Å; L597-C601 PolarHBondContact O-SG 3.05Å; R598-C601 CarbonylContact O-C 3.45Å; R598-C601 WeakPolarHBondContact O-CA 3.49Å; R598-C601 WeakPolarHBondContact O-CB 3.32Å; R598-C601 PolarHBondContact O-N 3.41Å; C601-A603 PolarHBondContact O-N 3.26Å; C601-R604 WeakPolarHBondContact O-CB 3.41Å; C601-R604 PolarHBondContact O-N 3.08Å; C601-D605 WeakPolarHBondContact O-CB 3.36Å; C601-D605 VanDerWaalsContact O-CG 3.26Å; C601-D605 PolarHBondContact O-N 2.88Å
602M92.3Very high91.6Very high2 Ų246.2 Ų46.21%0.0122%0.222CC..Hα-helixtrans-61-43.8177.4-66.2172.971.400111.5E570 M575 A578 E579 Y582 R598 L599 D605 R606E570-M602 HydrophobicContact CG-CG 3.99Å; E570-M602 HydrophobicContact CG-SD 4.29Å; E570-M602 WeakPolarHBondContact OE1-CG 3.49Å; M575-M602 HydrophobicContact CB-CE 4.28Å; M575-M602 HydrophobicContact CE-CB 3.89Å; M575-M602 HydrophobicContact CE-CE 3.75Å; M575-M602 HydrophobicContact CE-CG 3.86Å; M575-M602 VanDerWaalsContact O-CE 3.24Å; M575-M602 WeakPolarHBondContact O-CE 3.48Å; M575-M602 HydrophobicContact SD-CE 4.12Å; A578-M602 HydrophobicContact CB-CE 3.77Å; A578-M602 HydrophobicContact CB-SD 4.33Å; E579-M602 HydrophobicContact CB-CE 3.96Å; Y582-M602 HydrophobicContact CD2-SD 3.79Å; Y582-M602 HydrophobicContact CE2-SD 3.57Å; Y582-M602 VanDerWaalsContact CE2-SD 3.57Å; R598-M602 WeakPolarHBondContact O-CG 3.22Å; R598-M602 PolarHBondContact O-N 2.6Å; L599-M602 HydrophobicContact CD2-SD 4.49Å; L599-M602 PolarHBondContact O-N 3.29Å; M602-D605 PolarHBondContact O-N 3.08Å; M602-R606 WeakPolarHBondContact O-CG 3.44Å; M602-R606 PolarHBondContact O-N 3.42Å
603A92.3Very high91.6Very high3 Ų344.5 Ų44.53%0.02522%0.219CC..Hα-helixtrans-61.5-45173.900000111.8L599 C601 D605 R606 G607 Q608 D611 A612L599-A603 WeakPolarHBondContact O-CB 3.38Å; L599-A603 PolarHBondContact O-N 2.88Å; C601-A603 PolarHBondContact O-N 3.26Å; A603-D605 VanDerWaalsContact C-N 3.29Å; A603-D605 PolarHBondContact O-N 3.09Å; A603-R606 PolarHBondContact O-N 3.21Å; A603-G607 PolarHBondContact O-N 3.17Å; A603-Q608 HydrophobicContact CB-CB 4.29Å; A603-Q608 WeakPolarHBondContact O-CA 3.38Å; A603-Q608 WeakPolarHBondContact O-CB 3.13Å; A603-Q608 PolarHBondContact O-N 3.03Å; A603-D611 HydrophobicContact CB-CB 4.29Å; A603-A612 HydrophobicContact CB-CB 4.07Å
604R91.6Very high91.7Very high84 Ų8446.5 Ų46.532%0.31723%0.231SC..Hα-helixtrans-57.2-44.1175.5-178.3-159.169.5-158.2-5.5111.3G600 C601 G607 A612 L636G600-R604 WeakPolarHBondContact O-CB 3.25Å; G600-R604 PolarHBondContact O-N 3.25Å; C601-R604 WeakPolarHBondContact O-CB 3.41Å; C601-R604 PolarHBondContact O-N 3.08Å; R604-G607 WeakPolarHBondContact O-CA 3.28Å; R604-G607 PolarHBondContact O-N 3.11Å; R604-A612 HydrophobicContact CB-CB 3.93Å; R604-L636 HydrophobicContact CG-CD1 4.22Å
605D88Confident91.9Very high101 Ų10146.6 Ų46.654%0.5423%0.226SC..Hα-helixtrans-78.5-21.3-174.6-64.6-14.8000112.6C601 M602 A603 G607C601-D605 WeakPolarHBondContact O-CB 3.36Å; C601-D605 VanDerWaalsContact O-CG 3.26Å; C601-D605 PolarHBondContact O-N 2.88Å; M602-D605 PolarHBondContact O-N 3.08Å; A603-D605 VanDerWaalsContact C-N 3.29Å; A603-D605 PolarHBondContact O-N 3.09Å; D605-G607 PolarHBondContact O-N 3.21Å
606R89.6Confident91.9Very high107 Ų10746.6 Ų46.640%0.40423%0.226SC..THydrogen-bonded Turntrans-73.5-3161.2-70.2173.9-178.3164.12.2113.8M575 E579 M602 A603 Q608M575-R606 PolarHBondContact O-NH2 2.97Å; E579-R606 IonicContact OE2-CZ 2.71Å; E579-R606 IonicContact OE2-NH1 3.48Å; E579-R606 PolarHBondContact OE2-NH1 3.36Å; E579-R606 IonicContact OE2-NH2 3.83Å; E579-R606 PolarHBondContact OE2-NH2 2.98Å; M602-R606 WeakPolarHBondContact O-CG 3.44Å; M602-R606 PolarHBondContact O-N 3.42Å; A603-R606 PolarHBondContact O-N 3.21Å; R606-Q608 VanDerWaalsContact C-N 3.29Å; R606-Q608 HydrophobicContact CB-CG 4.22Å; R606-Q608 PolarHBondContact O-N 3.32Å
607G87.2Confident91.8Very high52 Ų5250.7 Ų50.754%0.53625%0.245SC..THydrogen-bonded Turntrans80.72.2-174.600000114.8A603 R604 D605 I609A603-G607 PolarHBondContact O-N 3.17Å; R604-G607 WeakPolarHBondContact O-CA 3.28Å; R604-G607 PolarHBondContact O-N 3.11Å; D605-G607 PolarHBondContact O-N 3.21Å; G607-I609 PolarHBondContact O-N 3.42Å
608Q90.9Very high91.7Very high79 Ų7952.9 Ų52.937%0.36925%0.254SS..  trans-79.765.6-179.4-63.3172.9-7000110.9A603 R606 Y610 D611 A612A603-Q608 HydrophobicContact CB-CB 4.29Å; A603-Q608 WeakPolarHBondContact O-CA 3.38Å; A603-Q608 WeakPolarHBondContact O-CB 3.13Å; A603-Q608 PolarHBondContact O-N 3.03Å; R606-Q608 VanDerWaalsContact C-N 3.29Å; R606-Q608 HydrophobicContact CB-CG 4.22Å; R606-Q608 PolarHBondContact O-N 3.32Å; Q608-Y610 PolarHBondContact O-N 3.02Å; Q608-D611 HydrophobicContact CB-CB 4.16Å; Q608-D611 WeakPolarHBondContact CB-OD2 3.39Å; Q608-D611 PolarHBondContact NE2-OD2 3.02Å; Q608-D611 PolarHBondContact O-N 3.41Å; Q608-A612 WeakPolarHBondContact O-CB 3.35Å; Q608-A612 PolarHBondContact O-N 3.25Å
609I89Confident91.5Very high56 Ų5650.2 Ų50.229%0.28725%0.245SC..Hα-helixtrans-57.6-34.1-174.9-71170.7000112.6G607 S613 L636 K640G607-I609 PolarHBondContact O-N 3.42Å; I609-S613 PolarHBondContact O-N 2.92Å; I609-L636 HydrophobicContact CG1-CD1 4.47Å; I609-L636 HydrophobicContact CG2-CD1 4Å; I609-L636 HydrophobicContact CG2-CD2 4.45Å; I609-L636 HydrophobicContact CG2-CG 4.17Å; I609-K640 VanDerWaalsContact CG2-CE 3.46Å
610Y89.6Confident91.3Very high170 Ų17050.8 Ų50.867%0.66725%0.247SC*.Hα-helixtrans-70.7-48.6178.1-68.9-73.1000111.7Q608 A612 S613 V614Q608-Y610 PolarHBondContact O-N 3.02Å; Y610-A612 PolarHBondContact O-N 2.86Å; Y610-S613 CarbonylContact O-C 3.6Å; Y610-S613 WeakPolarHBondContact O-CA 3.15Å; Y610-S613 VanDerWaalsContact O-CB 3.26Å; Y610-S613 WeakPolarHBondContact O-CB 3.47Å; Y610-S613 PolarHBondContact O-N 2.61Å; Y610-S613 PolarHBondContact O-OG 2.76Å; Y610-V614 PolarHBondContact O-N 3.48Å
611D91.7Very high91.1Very high71 Ų7157.3 Ų57.338%0.3828%0.278SS..Hα-helixtrans-65.8-40.3-178.4-50-23.3000110.9A603 Q608 S613 V614 W615A603-D611 HydrophobicContact CB-CB 4.29Å; Q608-D611 HydrophobicContact CB-CB 4.16Å; Q608-D611 WeakPolarHBondContact CB-OD2 3.39Å; Q608-D611 PolarHBondContact NE2-OD2 3.02Å; Q608-D611 PolarHBondContact O-N 3.41Å; D611-S613 PolarHBondContact O-N 3.05Å; D611-V614 WeakPolarHBondContact O-CA 3.39Å; D611-V614 WeakPolarHBondContact O-CB 3.27Å; D611-V614 PolarHBondContact O-N 3.05Å; D611-W615 PolarHBondContact O-N 3.24Å
612A93.5Very high90.7Very high0 Ų061.7 Ų61.70%030%0.297CS..Hα-helixtrans-53.3-41.7168.700000112.2G600 A603 R604 Q608 Y610 V614 F616 L636G600-A612 VanDerWaalsContact O-CB 3.28Å; G600-A612 WeakPolarHBondContact O-CB 3.33Å; A603-A612 HydrophobicContact CB-CB 4.07Å; R604-A612 HydrophobicContact CB-CB 3.93Å; Q608-A612 WeakPolarHBondContact O-CB 3.35Å; Q608-A612 PolarHBondContact O-N 3.25Å; Y610-A612 PolarHBondContact O-N 2.86Å; A612-V614 PolarHBondContact O-N 3.21Å; A612-F616 HydrophobicContact CB-CE2 4.14Å; A612-F616 WeakPolarHBondContact O-CD2 3.44Å; A612-F616 WeakPolarHBondContact O-CG 3.37Å; A612-F616 PolarHBondContact O-N 3.42Å; A612-F616 VanDerWaalsContact O-N 3.1Å; A612-L636 HydrophobicContact CB-CD1 4.44Å
613S90.4Very high90.3Very high22 Ų2265 Ų6515%0.15431%0.314CS..Hα-helixtrans-71-15176.293.30000114I609 Y610 D611 K617I609-S613 PolarHBondContact O-N 2.92Å; Y610-S613 CarbonylContact O-C 3.6Å; Y610-S613 WeakPolarHBondContact O-CA 3.15Å; Y610-S613 VanDerWaalsContact O-CB 3.26Å; Y610-S613 WeakPolarHBondContact O-CB 3.47Å; Y610-S613 PolarHBondContact O-N 2.61Å; Y610-S613 PolarHBondContact O-OG 2.76Å; D611-S613 PolarHBondContact O-N 3.05Å; S613-K617 WeakPolarHBondContact O-CD 3.37Å; S613-K617 WeakPolarHBondContact O-CE 3.22Å; S613-K617 WeakPolarHBondContact O-CG 3.4Å; S613-K617 PolarHBondContact O-NZ 3.2Å; S613-K617 PolarHBondContact OG-NZ 3.24Å
614V93.7Very high89.9Confident66 Ų6671.2 Ų71.240%0.434%0.343SS..Hα-helixtrans-83.3-54.1173.2177.60000108.8Y610 D611 A612 F616 K617 E618Y610-V614 PolarHBondContact O-N 3.48Å; D611-V614 WeakPolarHBondContact O-CA 3.39Å; D611-V614 WeakPolarHBondContact O-CB 3.27Å; D611-V614 PolarHBondContact O-N 3.05Å; A612-V614 PolarHBondContact O-N 3.21Å; V614-F616 VanDerWaalsContact C-N 3.31Å; V614-F616 PolarHBondContact O-N 3.26Å; V614-K617 WeakPolarHBondContact O-CA 3.3Å; V614-K617 WeakPolarHBondContact O-CB 3.3Å; V614-K617 PolarHBondContact O-N 3.35Å; V614-E618 HydrophobicContact CG1-CG 4.5Å; V614-E618 WeakPolarHBondContact CG1-OE1 3.49Å; V614-E618 PolarHBondContact O-N 2.92Å
615W93.9Very high89.5Confident66 Ų6668.5 Ų68.525%0.2534%0.341CS..Hα-helixtrans-53.7-42.9177.5-63.9121.6000113.1Y596 L599 D611 K617 E618 A619Y596-W615 HydrophobicContact CD1-CE3 4Å; Y596-W615 HydrophobicContact CD1-CZ3 4.43Å; Y596-W615 HydrophobicContact CE1-CE3 4.48Å; L599-W615 HydrophobicContact CB-CD2 4.05Å; L599-W615 HydrophobicContact CB-CE3 4.46Å; L599-W615 HydrophobicContact CB-CG 4.19Å; L599-W615 HydrophobicContact CD1-CE3 4.36Å; L599-W615 HydrophobicContact CD1-CH2 4.31Å; L599-W615 HydrophobicContact CD1-CZ3 4.19Å; D611-W615 PolarHBondContact O-N 3.24Å; W615-K617 VanDerWaalsContact C-N 3.31Å; W615-K617 PolarHBondContact O-N 3.22Å; W615-E618 WeakPolarHBondContact CZ3-OE2 3.48Å; W615-E618 PolarHBondContact O-N 2.97Å; W615-A619 PolarHBondContact O-N 3.01Å; W615-A619 VanDerWaalsContact O-N 3.15Å
616F93.6Very high89.4Confident0 Ų064.8 Ų64.80%032%0.32CS..Hα-helixtrans-69.1-24.1175.9-56.4-35000113.9L597 G600 A612 V614 L620 L632 I633L597-F616 HydrophobicContact CD2-CD1 3.95Å; G600-F616 VanDerWaalsContact C-CE1 3.47Å; G600-F616 VanDerWaalsContact CA-CE1 3.48Å; G600-F616 WeakPolarHBondContact O-CZ 3.47Å; A612-F616 HydrophobicContact CB-CE2 4.14Å; A612-F616 WeakPolarHBondContact O-CD2 3.44Å; A612-F616 WeakPolarHBondContact O-CG 3.37Å; A612-F616 PolarHBondContact O-N 3.42Å; A612-F616 VanDerWaalsContact O-N 3.1Å; V614-F616 VanDerWaalsContact C-N 3.31Å; V614-F616 PolarHBondContact O-N 3.26Å; F616-L620 WeakPolarHBondContact O-CG 3.26Å; F616-L632 HydrophobicContact CD1-CB 4.16Å; F616-L632 HydrophobicContact CD1-CD1 4.2Å; F616-L632 HydrophobicContact CD2-CB 4.1Å; F616-L632 HydrophobicContact CE1-CB 3.95Å; F616-L632 HydrophobicContact CE1-CD1 3.76Å; F616-L632 HydrophobicContact CE1-CG 4.3Å; F616-L632 HydrophobicContact CE2-CB 3.9Å; F616-L632 HydrophobicContact CG-CB 4.25Å; F616-L632 HydrophobicContact CZ-CB 3.83Å; F616-L632 HydrophobicContact CZ-CD1 4.27Å; F616-L632 HydrophobicContact CZ-CD2 4.25Å; F616-L632 HydrophobicContact CZ-CG 4.34Å; F616-I633 HydrophobicContact CB-CD1 3.86Å; F616-I633 HydrophobicContact CB-CG1 3.59Å; F616-I633 HydrophobicContact CD2-CG1 4.09Å; F616-I633 HydrophobicContact CG-CG1 4.24Å
617K91.5Very high89.2Confident113 Ų11361.9 Ų61.949%0.49132%0.315SS..Hα-helixtrans-79.1-34.1172.9-71.8169.5-160.8125.60111.7S613 V614 W615 L620 Q621S613-K617 WeakPolarHBondContact O-CD 3.37Å; S613-K617 WeakPolarHBondContact O-CE 3.22Å; S613-K617 WeakPolarHBondContact O-CG 3.4Å; S613-K617 PolarHBondContact O-NZ 3.2Å; S613-K617 PolarHBondContact OG-NZ 3.24Å; V614-K617 WeakPolarHBondContact O-CA 3.3Å; V614-K617 WeakPolarHBondContact O-CB 3.3Å; V614-K617 PolarHBondContact O-N 3.35Å; W615-K617 VanDerWaalsContact C-N 3.31Å; W615-K617 PolarHBondContact O-N 3.22Å; K617-L620 WeakPolarHBondContact O-CB 3.39Å; K617-L620 PolarHBondContact O-N 3.19Å; K617-Q621 PolarHBondContact O-N 3.16Å
618E91.6Very high89.2Confident53 Ų5363.2 Ų63.225%0.24831%0.31CS..Hα-helixtrans-63.9-44.5175-70.2174.7-174.300111.3Y596 V614 W615 L620 Q621 F622Y596-E618 HydrophobicContact CD1-CB 3.71Å; Y596-E618 HydrophobicContact CE1-CB 3.82Å; Y596-E618 WeakPolarHBondContact CE1-OE2 3.23Å; V614-E618 HydrophobicContact CG1-CG 4.5Å; V614-E618 WeakPolarHBondContact CG1-OE1 3.49Å; V614-E618 PolarHBondContact O-N 2.92Å; W615-E618 WeakPolarHBondContact CZ3-OE2 3.48Å; W615-E618 PolarHBondContact O-N 2.97Å; E618-L620 PolarHBondContact O-N 3.09Å; E618-Q621 WeakPolarHBondContact O-CB 3.5Å; E618-Q621 PolarHBondContact O-N 3.33Å; E618-F622 WeakPolarHBondContact O-CD2 3.44Å
619A91.2Very high89.2Confident0 Ų059.4 Ų59.40%029%0.292CS..Hα-helixtrans-53.4-37.5170.600000113L597 W615 Q621 N623 A629L597-A619 HydrophobicContact CD2-CB 3.66Å; L597-A619 HydrophobicContact CG-CB 4.33Å; W615-A619 PolarHBondContact O-N 3.01Å; W615-A619 VanDerWaalsContact O-N 3.15Å; A619-Q621 VanDerWaalsContact C-N 3.33Å; A619-Q621 PolarHBondContact O-N 2.88Å; A619-N623 PolarHBondContact O-N 3.35Å; A619-A629 HydrophobicContact CB-CB 4.46Å
620L89.5Confident89.3Confident17 Ų1758 Ų589%0.08928%0.283CS..Hα-helixtrans-75.9-11.8177.4-72.1173.8000114.5F616 K617 E618 N623 Q624 A629 W630 I633F616-L620 WeakPolarHBondContact O-CG 3.26Å; K617-L620 WeakPolarHBondContact O-CB 3.39Å; K617-L620 PolarHBondContact O-N 3.19Å; E618-L620 PolarHBondContact O-N 3.09Å; L620-N623 WeakPolarHBondContact CD2-O 3.47Å; L620-N623 CarbonylContact O-C 3.53Å; L620-Q624 VanDerWaalsContact O-CA 3.29Å; L620-Q624 WeakPolarHBondContact O-CA 3.32Å; L620-Q624 VanDerWaalsContact O-CG 3.25Å; L620-Q624 WeakPolarHBondContact O-CG 3.27Å; L620-Q624 PolarHBondContact O-N 3.2Å; L620-Q624 VanDerWaalsContact O-N 3.16Å; L620-A629 HydrophobicContact CD2-CB 3.7Å; L620-A629 HydrophobicContact CG-CB 3.82Å; L620-W630 HydrophobicContact CD1-CD2 4.05Å; L620-W630 HydrophobicContact CD1-CE3 4.13Å; L620-W630 HydrophobicContact CD1-CH2 3.7Å; L620-W630 HydrophobicContact CD1-CZ2 3.6Å; L620-W630 HydrophobicContact CD1-CZ3 3.96Å; L620-W630 HydrophobicContact CD2-CD2 4.26Å; L620-W630 HydrophobicContact CD2-CG 4.39Å; L620-W630 HydrophobicContact CD2-CZ2 4.02Å; L620-W630 HydrophobicContact CG-CZ2 4.42Å; L620-I633 HydrophobicContact CD1-CD1 3.49Å; L620-I633 VanDerWaalsContact CD1-CD1 3.49Å
621Q89.6Confident89.4Confident138 Ų13850.5 Ų50.565%0.64526%0.255SS*.Hα-helixtrans-69.6-44173.3-62.7-179.127.300110.4K617 E618 A619K617-Q621 PolarHBondContact O-N 3.16Å; E618-Q621 WeakPolarHBondContact O-CB 3.5Å; E618-Q621 PolarHBondContact O-N 3.33Å; A619-Q621 VanDerWaalsContact C-N 3.33Å; A619-Q621 PolarHBondContact O-N 2.88Å
622F85.2Confident89.3Confident95 Ų9548.3 Ų48.342%0.41724%0.243SC..Hα-helixtrans-75.6-42.3177.6-54.6-74.7000112.4P590 Q591 T593 Y596 E618P590-F622 WeakPolarHBondContact O-CE2 3.35Å; P590-F622 VanDerWaalsContact O-CZ 3.22Å; P590-F622 WeakPolarHBondContact O-CZ 3.08Å; Q591-F622 HydrophobicContact CG-CD1 4.28Å; T593-F622 HydrophobicContact CG2-CB 4.3Å; Y596-F622 HydrophobicContact CE2-CD2 4.25Å; Y596-F622 AromaticContact CE2-CE2 3.72Å; Y596-F622 HydrophobicContact CE2-CE2 3.72Å; Y596-F622 AromaticContact CZ-CE2 3.79Å; E618-F622 WeakPolarHBondContact O-CD2 3.44Å
623N82.4Confident89.3Confident72 Ų7249 Ų4939%0.38525%0.247SC..  trans-132.487177.5-174.6-7.1000111.4T593 A619 L620 G625 H626T593-N623 HydrophobicContact CG2-CB 4.48Å; A619-N623 PolarHBondContact O-N 3.35Å; L620-N623 WeakPolarHBondContact CD2-O 3.47Å; L620-N623 CarbonylContact O-C 3.53Å; N623-G625 PolarHBondContact O-N 3.2Å; N623-G625 WeakPolarHBondContact OD1-CA 3.25Å; N623-G625 PolarHBondContact OD1-N 3.35Å; N623-H626 HydrophobicContact CB-CB 4.15Å; N623-H626 WeakPolarHBondContact O-CB 3.32Å; N623-H626 PolarHBondContact O-N 3.46Å; N623-H626 PolarHBondContact OD1-N 2.72Å; N623-H626 VanDerWaalsContact OD1-N 3.15Å
624Q85.2Confident89.3Confident134 Ų13448 Ų4863%0.62624%0.24SC*.THydrogen-bonded Turntrans-58-16.6175.9-60.2-1762500113.9L620 W630L620-Q624 VanDerWaalsContact O-CA 3.29Å; L620-Q624 WeakPolarHBondContact O-CA 3.32Å; L620-Q624 VanDerWaalsContact O-CG 3.25Å; L620-Q624 WeakPolarHBondContact O-CG 3.27Å; L620-Q624 PolarHBondContact O-N 3.2Å; L620-Q624 VanDerWaalsContact O-N 3.16Å; Q624-W630 PolarHBondContact O-NE1 2.88Å
625G82.8Confident89.2Confident26 Ų2646.6 Ų46.627%0.26823%0.23SC..THydrogen-bonded Turntrans-90.7-12.5178.400000114.9N623 Q656N623-G625 PolarHBondContact O-N 3.2Å; N623-G625 WeakPolarHBondContact OD1-CA 3.25Å; N623-G625 PolarHBondContact OD1-N 3.35Å; G625-Q656 PolarHBondContact O-NE2 2.64Å; G625-Q656 PolarHBondContact O-OE1 2.96Å
626H85.3Confident89.1Confident23 Ų2344 Ų4411%0.10622%0.221CC..  trans-57.7117.7-165.4-157.2-56.5000112.7N623 D628 A629 W630N623-H626 HydrophobicContact CB-CB 4.15Å; N623-H626 WeakPolarHBondContact O-CB 3.32Å; N623-H626 PolarHBondContact O-N 3.46Å; N623-H626 PolarHBondContact OD1-N 2.72Å; N623-H626 VanDerWaalsContact OD1-N 3.15Å; H626-D628 IonicContact CE1-OD2 2.82Å; H626-D628 PolarHBondContact CE1-OD2 2.88Å; H626-D628 VanDerWaalsContact CE1-OD2 3.3Å; H626-D628 PolarHBondContact ND1-N 2.88Å; H626-D628 IonicContact ND1-OD2 2.61Å; H626-D628 PolarHBondContact O-N 2.92Å; H626-A629 HydrophobicContact CB-CB 4.04Å; H626-A629 PolarHBondContact O-N 3.5Å; H626-W630 PolarHBondContact O-N 2.77Å
627P85.9Confident88.9Confident46 Ų4645.8 Ų45.830%0.29923%0.23SC..Hα-helixtrans-63.4-46.8-174.223.5-32.6000111.4A629 W630 T631 I653P627-A629 VanDerWaalsContact C-N 3.35Å; P627-A629 PolarHBondContact O-N 3.36Å; P627-W630 CarbonylContact O-C 3.51Å; P627-W630 WeakPolarHBondContact O-CA 3.45Å; P627-W630 WeakPolarHBondContact O-CB 3.49Å; P627-W630 PolarHBondContact O-N 3.3Å; P627-T631 PolarHBondContact O-N 3.48Å; P627-I653 HydrophobicContact CB-CG2 4.2Å
628D86.6Confident88.9Confident80 Ų8042.3 Ų42.343%0.42822%0.216SC..Hα-helixtrans-64.7-34-177-52.8-68.2000114L597 H626 W630 T631 L632L597-D628 HydrophobicContact CD1-CB 3.99Å; H626-D628 IonicContact CE1-OD2 2.82Å; H626-D628 PolarHBondContact CE1-OD2 2.88Å; H626-D628 VanDerWaalsContact CE1-OD2 3.3Å; H626-D628 PolarHBondContact ND1-N 2.88Å; H626-D628 IonicContact ND1-OD2 2.61Å; H626-D628 PolarHBondContact O-N 2.92Å; D628-W630 VanDerWaalsContact C-N 3.32Å; D628-W630 PolarHBondContact O-N 3.41Å; D628-T631 WeakPolarHBondContact CA-OG1 3.46Å; D628-T631 PolarHBondContact O-N 3.4Å; D628-T631 PolarHBondContact O-OG1 3.15Å; D628-L632 WeakPolarHBondContact O-CB 3.39Å; D628-L632 WeakPolarHBondContact O-CD1 3.48Å; D628-L632 VanDerWaalsContact O-CG 3.23Å; D628-L632 WeakPolarHBondContact O-CG 3.25Å; D628-L632 PolarHBondContact O-N 3.04Å
629A90.9Very high88.6Confident0 Ų043.3 Ų43.30%023%0.229CC..Hα-helixtrans-62.3-41.7171.700000111.1L597 A619 L620 H626 P627 I633L597-A629 HydrophobicContact CD2-CB 3.88Å; A619-A629 HydrophobicContact CB-CB 4.46Å; L620-A629 HydrophobicContact CD2-CB 3.7Å; L620-A629 HydrophobicContact CG-CB 3.82Å; H626-A629 HydrophobicContact CB-CB 4.04Å; H626-A629 PolarHBondContact O-N 3.5Å; P627-A629 VanDerWaalsContact C-N 3.35Å; P627-A629 PolarHBondContact O-N 3.36Å; A629-I633 WeakPolarHBondContact O-CD1 3.38Å; A629-I633 VanDerWaalsContact O-CG1 3.26Å; A629-I633 WeakPolarHBondContact O-CG1 3.41Å; A629-I633 PolarHBondContact O-N 3.44Å
630W91.3Very high88.4Confident25 Ų2547.3 Ų47.310%0.09525%0.246CC..Hα-helixtrans-70.9-34.3175.3-71.7116.3000113.3L620 Q624 H626 P627 D628 I633 G634 K649 I653L620-W630 HydrophobicContact CD1-CD2 4.05Å; L620-W630 HydrophobicContact CD1-CE3 4.13Å; L620-W630 HydrophobicContact CD1-CH2 3.7Å; L620-W630 HydrophobicContact CD1-CZ2 3.6Å; L620-W630 HydrophobicContact CD1-CZ3 3.96Å; L620-W630 HydrophobicContact CD2-CD2 4.26Å; L620-W630 HydrophobicContact CD2-CG 4.39Å; L620-W630 HydrophobicContact CD2-CZ2 4.02Å; L620-W630 HydrophobicContact CG-CZ2 4.42Å; Q624-W630 PolarHBondContact O-NE1 2.88Å; H626-W630 PolarHBondContact O-N 2.77Å; P627-W630 CarbonylContact O-C 3.51Å; P627-W630 WeakPolarHBondContact O-CA 3.45Å; P627-W630 WeakPolarHBondContact O-CB 3.49Å; P627-W630 PolarHBondContact O-N 3.3Å; D628-W630 VanDerWaalsContact C-N 3.32Å; D628-W630 PolarHBondContact O-N 3.41Å; W630-I633 HydrophobicContact CE3-CD1 4.38Å; W630-I633 HydrophobicContact CZ3-CD1 4.45Å; W630-G634 PolarHBondContact O-N 3.2Å; W630-K649 HydrophobicContact CE3-CD 4.01Å; W630-K649 HydrophobicContact CZ3-CD 3.95Å; W630-I653 HydrophobicContact CB-CD1 3.77Å; W630-I653 HydrophobicContact CB-CG1 3.64Å; W630-I653 HydrophobicContact CG-CG1 4.45Å
631T90.7Very high88.3Confident13 Ų1353.4 Ų53.48%0.0827%0.272CS..Hα-helixtrans-68.4-41.2174.265.80000111.1P627 D628 G634 N635 F650 I653 Y664P627-T631 PolarHBondContact O-N 3.48Å; D628-T631 WeakPolarHBondContact CA-OG1 3.46Å; D628-T631 PolarHBondContact O-N 3.4Å; D628-T631 PolarHBondContact O-OG1 3.15Å; T631-G634 PolarHBondContact O-N 3.48Å; T631-N635 WeakPolarHBondContact O-CB 3.22Å; T631-N635 PolarHBondContact O-N 3.3Å; T631-N635 PolarHBondContact O-ND2 3.31Å; T631-F650 HydrophobicContact CG2-CE1 4.42Å; T631-I653 HydrophobicContact CG2-CD1 3.47Å; T631-I653 VanDerWaalsContact CG2-CD1 3.47Å; T631-Y664 HydrophobicContact CG2-CD1 3.84Å; T631-Y664 HydrophobicContact CG2-CE1 4.23Å
632L91.4Very high88.2Confident25 Ų2550.1 Ų50.113%0.13126%0.257CS..Hα-helixtrans-64.8-40.9177.5-72.7166000112.1L597 F616 D628 N635 L636L597-L632 HydrophobicContact CB-CD1 4.13Å; L597-L632 HydrophobicContact CD1-CD1 4.41Å; L597-L632 HydrophobicContact CD2-CD1 4.09Å; L597-L632 HydrophobicContact CG-CD1 4.43Å; F616-L632 HydrophobicContact CD1-CB 4.16Å; F616-L632 HydrophobicContact CD1-CD1 4.2Å; F616-L632 HydrophobicContact CD2-CB 4.1Å; F616-L632 HydrophobicContact CE1-CB 3.95Å; F616-L632 HydrophobicContact CE1-CD1 3.76Å; F616-L632 HydrophobicContact CE1-CG 4.3Å; F616-L632 HydrophobicContact CE2-CB 3.9Å; F616-L632 HydrophobicContact CG-CB 4.25Å; F616-L632 HydrophobicContact CZ-CB 3.83Å; F616-L632 HydrophobicContact CZ-CD1 4.27Å; F616-L632 HydrophobicContact CZ-CD2 4.25Å; F616-L632 HydrophobicContact CZ-CG 4.34Å; D628-L632 WeakPolarHBondContact O-CB 3.39Å; D628-L632 WeakPolarHBondContact O-CD1 3.48Å; D628-L632 VanDerWaalsContact O-CG 3.23Å; D628-L632 WeakPolarHBondContact O-CG 3.25Å; D628-L632 PolarHBondContact O-N 3.04Å; L632-N635 PolarHBondContact O-N 3.29Å; L632-L636 WeakPolarHBondContact O-CB 3.47Å; L632-L636 PolarHBondContact O-N 2.92Å
633I91.8Very high88.3Confident16 Ų1648 Ų488%0.08225%0.246CC..Hα-helixtrans-67-39.2171.6-66.1165.7000111.3F616 L620 A629 W630 L636 H637 K649F616-I633 HydrophobicContact CB-CD1 3.86Å; F616-I633 HydrophobicContact CB-CG1 3.59Å; F616-I633 HydrophobicContact CD2-CG1 4.09Å; F616-I633 HydrophobicContact CG-CG1 4.24Å; L620-I633 HydrophobicContact CD1-CD1 3.49Å; L620-I633 VanDerWaalsContact CD1-CD1 3.49Å; A629-I633 WeakPolarHBondContact O-CD1 3.38Å; A629-I633 VanDerWaalsContact O-CG1 3.26Å; A629-I633 WeakPolarHBondContact O-CG1 3.41Å; A629-I633 PolarHBondContact O-N 3.44Å; W630-I633 HydrophobicContact CE3-CD1 4.38Å; W630-I633 HydrophobicContact CZ3-CD1 4.45Å; I633-L636 WeakPolarHBondContact O-CB 3.09Å; I633-L636 PolarHBondContact O-N 3.45Å; I633-H637 PolarHBondContact O-CD2 3.32Å; I633-H637 PolarHBondContact O-N 2.87Å; I633-H637 VanDerWaalsContact O-N 3.11Å; I633-K649 HydrophobicContact CG2-CD 4.33Å; I633-K649 HydrophobicContact CG2-CG 4.22Å
634G91.4Very high88.6Confident0 Ų046.3 Ų46.30%025%0.245CC..Hα-helixtrans-58.6-47.3173.500000111.9W630 T631 L636 H637 L638W630-G634 PolarHBondContact O-N 3.2Å; T631-G634 PolarHBondContact O-N 3.48Å; G634-L636 VanDerWaalsContact C-N 3.3Å; G634-L636 PolarHBondContact O-N 3.01Å; G634-H637 PolarHBondContact O-N 3Å; G634-H637 VanDerWaalsContact O-N 3.16Å; G634-L638 WeakPolarHBondContact O-CG 3.4Å; G634-L638 PolarHBondContact O-N 2.69Å
635N91.7Very high88.9Confident37 Ų3742.6 Ų42.620%0.19823%0.233CC..Hα-helixtrans-62.9-33.6175.9-72.2-23.9000112.9T631 L632 L638 S639 Y664T631-N635 WeakPolarHBondContact O-CB 3.22Å; T631-N635 PolarHBondContact O-N 3.3Å; T631-N635 PolarHBondContact O-ND2 3.31Å; L632-N635 PolarHBondContact O-N 3.29Å; N635-L638 PolarHBondContact O-N 3.08Å; N635-S639 PolarHBondContact O-N 3.13Å; N635-Y664 PolarHBondContact ND2-OH 3.5Å; N635-Y664 PolarHBondContact OD1-OH 3.15Å
636L90.9Very high89.3Confident12 Ų1241.3 Ų41.36%0.06322%0.22CC..Hα-helixtrans-68.7-32.9174.8-159.572.5000112.5R604 I609 A612 L632 I633 G634 S639 K640R604-L636 HydrophobicContact CG-CD1 4.22Å; I609-L636 HydrophobicContact CG1-CD1 4.47Å; I609-L636 HydrophobicContact CG2-CD1 4Å; I609-L636 HydrophobicContact CG2-CD2 4.45Å; I609-L636 HydrophobicContact CG2-CG 4.17Å; A612-L636 HydrophobicContact CB-CD1 4.44Å; L632-L636 WeakPolarHBondContact O-CB 3.47Å; L632-L636 PolarHBondContact O-N 2.92Å; I633-L636 WeakPolarHBondContact O-CB 3.09Å; I633-L636 PolarHBondContact O-N 3.45Å; G634-L636 VanDerWaalsContact C-N 3.3Å; G634-L636 PolarHBondContact O-N 3.01Å; L636-S639 PolarHBondContact O-OG 3.46Å; L636-S639 VanDerWaalsContact O-OG 3.12Å; L636-K640 WeakPolarHBondContact O-CG 3.49Å; L636-K640 PolarHBondContact O-N 3.4Å
637H91.1Very high89.7Confident37 Ų3742.5 Ų42.517%0.17123%0.226CC..Hα-helixtrans-72.9-37.2169-70.6-68000111.5I633 G634 K640 K641 E642 P645 A646 K649I633-H637 PolarHBondContact O-CD2 3.32Å; I633-H637 PolarHBondContact O-N 2.87Å; I633-H637 VanDerWaalsContact O-N 3.11Å; G634-H637 PolarHBondContact O-N 3Å; G634-H637 VanDerWaalsContact O-N 3.16Å; H637-K640 PolarHBondContact O-N 2.94Å; H637-K641 PolarHBondContact O-N 2.84Å; H637-E642 HydrophobicContact CB-CB 4.12Å; H637-E642 IonicContact CE1-OE2 2.67Å; H637-E642 PolarHBondContact CE1-OE2 3.16Å; H637-E642 IonicContact CG-OE2 3.67Å; H637-E642 IonicContact ND1-OE2 2.68Å; H637-E642 PolarHBondContact ND1-OE2 3.12Å; H637-E642 WeakPolarHBondContact O-CB 3.33Å; H637-E642 PolarHBondContact O-N 3.41Å; H637-P645 HydrophobicContact CB-CB 4.34Å; H637-P645 WeakPolarHBondContact ND1-CB 3.35Å; H637-A646 HydrophobicContact CB-CB 3.75Å; H637-K649 WeakPolarHBondContact NE2-CE 3.47Å
638L89.4Confident90Very high40 Ų4047.8 Ų47.821%0.20924%0.244CC..Hα-helixtrans-61.8-42.9175.1-68.7-179.8000112.6G634 N635 K640 K641 W643 A646 F650 I672G634-L638 WeakPolarHBondContact O-CG 3.4Å; G634-L638 PolarHBondContact O-N 2.69Å; N635-L638 PolarHBondContact O-N 3.08Å; L638-K640 VanDerWaalsContact C-N 3.28Å; L638-K640 PolarHBondContact O-N 2.91Å; L638-K641 WeakPolarHBondContact O-CA 3.24Å; L638-K641 PolarHBondContact O-N 2.68Å; L638-W643 HydrophobicContact CD2-CE3 3.79Å; L638-W643 HydrophobicContact CD2-CZ3 3.86Å; L638-A646 HydrophobicContact CD2-CB 3.71Å; L638-A646 HydrophobicContact CG-CB 4.02Å; L638-F650 HydrophobicContact CD1-CE2 3.89Å; L638-F650 HydrophobicContact CD1-CZ 4.08Å; L638-F650 HydrophobicContact CG-CE2 4.2Å; L638-I672 HydrophobicContact CD2-CD1 3.96Å; L638-I672 HydrophobicContact CD2-CG1 3.69Å
639S86.8Confident90.2Very high74 Ų7446.7 Ų46.752%0.51724%0.235SC..Hα-helixtrans-66.3-30.8178.464.70000112.8N635 L636 K641N635-S639 PolarHBondContact O-N 3.13Å; L636-S639 PolarHBondContact O-OG 3.46Å; L636-S639 VanDerWaalsContact O-OG 3.12Å; S639-K641 PolarHBondContact O-N 3.19Å
640K87.2Confident90.2Very high84 Ų8446.7 Ų46.737%0.36524%0.235SC..THydrogen-bonded Turntrans-75.6-4169-69.8-168.2177.7-1680114.8I609 L636 H637 L638 E642I609-K640 VanDerWaalsContact CG2-CE 3.46Å; L636-K640 WeakPolarHBondContact O-CG 3.49Å; L636-K640 PolarHBondContact O-N 3.4Å; H637-K640 PolarHBondContact O-N 2.94Å; L638-K640 VanDerWaalsContact C-N 3.28Å; L638-K640 PolarHBondContact O-N 2.91Å; K640-E642 HydrophobicContact CB-CB 4.45Å; K640-E642 HydrophobicContact CB-CG 3.84Å; K640-E642 WeakPolarHBondContact CD-OE1 3.23Å; K640-E642 IonicContact NZ-OE1 3.34Å; K640-E642 PolarHBondContact O-N 2.95Å
641K85.7Confident90.1Very high144 Ų14447.8 Ų47.863%0.62624%0.242SC*.THydrogen-bonded Turntrans62.723.7-172-51.7-179.7179.9-178.30113.7H637 L638 S639 W643H637-K641 PolarHBondContact O-N 2.84Å; L638-K641 WeakPolarHBondContact O-CA 3.24Å; L638-K641 PolarHBondContact O-N 2.68Å; S639-K641 PolarHBondContact O-N 3.19Å; K641-W643 HydrophobicContact CB-CH2 3.9Å; K641-W643 HydrophobicContact CB-CZ2 3.74Å; K641-W643 HydrophobicContact CG-CH2 3.96Å; K641-W643 HydrophobicContact CG-CZ2 4.09Å; K641-W643 PolarHBondContact O-N 2.92Å; K641-W643 VanDerWaalsContact O-N 3.15Å
642E88.9Confident90Very high69 Ų6952.4 Ų52.432%0.32226%0.258SS..  trans-85.671.3178.5-69.1176.1-162.900111.3H637 K640 G644 P645 A646H637-E642 HydrophobicContact CB-CB 4.12Å; H637-E642 IonicContact CE1-OE2 2.67Å; H637-E642 PolarHBondContact CE1-OE2 3.16Å; H637-E642 IonicContact CG-OE2 3.67Å; H637-E642 IonicContact ND1-OE2 2.68Å; H637-E642 PolarHBondContact ND1-OE2 3.12Å; H637-E642 WeakPolarHBondContact O-CB 3.33Å; H637-E642 PolarHBondContact O-N 3.41Å; K640-E642 HydrophobicContact CB-CB 4.45Å; K640-E642 HydrophobicContact CB-CG 3.84Å; K640-E642 WeakPolarHBondContact CD-OE1 3.23Å; K640-E642 IonicContact NZ-OE1 3.34Å; K640-E642 PolarHBondContact O-N 2.95Å; E642-G644 PolarHBondContact O-N 3.4Å; E642-P645 HydrophobicContact CB-CB 4.35Å; E642-P645 HydrophobicContact CB-CG 4.1Å; E642-P645 WeakPolarHBondContact O-CD 3.43Å; E642-A646 WeakPolarHBondContact O-CB 3.31Å; E642-A646 PolarHBondContact O-N 3.36Å; E642-A646 VanDerWaalsContact O-N 3.08Å
643W86.7Confident89.8Confident51 Ų5151.2 Ų51.219%0.19325%0.251CS..Hα-helixtrans-58.2-45.1-171.4-46.9136000114.7L638 K641 A646 Q647 I672 L675 Q679L638-W643 HydrophobicContact CD2-CE3 3.79Å; L638-W643 HydrophobicContact CD2-CZ3 3.86Å; K641-W643 HydrophobicContact CB-CH2 3.9Å; K641-W643 HydrophobicContact CB-CZ2 3.74Å; K641-W643 HydrophobicContact CG-CH2 3.96Å; K641-W643 HydrophobicContact CG-CZ2 4.09Å; K641-W643 PolarHBondContact O-N 2.92Å; K641-W643 VanDerWaalsContact O-N 3.15Å; W643-A646 PolarHBondContact O-N 3.33Å; W643-Q647 WeakPolarHBondContact O-CB 3.33Å; W643-Q647 PolarHBondContact O-N 2.86Å; W643-I672 HydrophobicContact CB-CG2 4.33Å; W643-L675 HydrophobicContact CE3-CD1 4.21Å; W643-L675 HydrophobicContact CH2-CD1 3.8Å; W643-L675 HydrophobicContact CZ2-CD1 4.26Å; W643-L675 HydrophobicContact CZ3-CD1 3.77Å; W643-Q679 VanDerWaalsContact CD1-OE1 3.24Å; W643-Q679 VanDerWaalsContact NE1-NE2 3.12Å
644G89.6Confident89.5Confident36 Ų3651.7 Ų51.737%0.37125%0.254SS..Hα-helixtrans-64.7-48.2-178.200000113.8E642 K648E642-G644 PolarHBondContact O-N 3.4Å; G644-K648 WeakPolarHBondContact O-CG 3.37Å; G644-K648 PolarHBondContact O-N 2.93Å
645P91.2Very high89.3Confident56 Ų5660.8 Ų60.836%0.36429%0.288SS..Hα-helixtrans-56.5-46168.9-30.638.1000113.4H637 E642 K648 K649H637-P645 HydrophobicContact CB-CB 4.34Å; H637-P645 WeakPolarHBondContact ND1-CB 3.35Å; E642-P645 HydrophobicContact CB-CB 4.35Å; E642-P645 HydrophobicContact CB-CG 4.1Å; E642-P645 WeakPolarHBondContact O-CD 3.43Å; P645-K648 PolarHBondContact O-N 2.98Å; P645-K649 WeakPolarHBondContact O-CG 3.49Å; P645-K649 PolarHBondContact O-N 2.95Å
646A91.6Very high88.9Confident0 Ų061.4 Ų61.40%029%0.29CS..Hα-helixtrans-58.4-49177.600000112.2H637 L638 E642 W643 K648 K649 F650 I672H637-A646 HydrophobicContact CB-CB 3.75Å; L638-A646 HydrophobicContact CD2-CB 3.71Å; L638-A646 HydrophobicContact CG-CB 4.02Å; E642-A646 WeakPolarHBondContact O-CB 3.31Å; E642-A646 PolarHBondContact O-N 3.36Å; E642-A646 VanDerWaalsContact O-N 3.08Å; W643-A646 PolarHBondContact O-N 3.33Å; A646-K648 VanDerWaalsContact C-N 3.29Å; A646-K648 PolarHBondContact O-N 2.91Å; A646-K649 WeakPolarHBondContact O-CB 3.48Å; A646-K649 PolarHBondContact O-N 3.02Å; A646-F650 HydrophobicContact CB-CE2 4.33Å; A646-F650 WeakPolarHBondContact O-CD2 3.25Å; A646-F650 PolarHBondContact O-N 2.99Å; A646-F650 VanDerWaalsContact O-N 3.16Å; A646-I672 HydrophobicContact CB-CD1 3.9Å
647Q92.3Very high87.9Confident48 Ų4866.2 Ų66.222%0.22433%0.325CS..Hα-helixtrans-52.2-47.8177.8-172.1-164.8-30.800111.2W643 K649 F650 E651 L669 I672W643-Q647 WeakPolarHBondContact O-CB 3.33Å; W643-Q647 PolarHBondContact O-N 2.86Å; Q647-K649 PolarHBondContact O-N 2.92Å; Q647-F650 PolarHBondContact O-N 3.46Å; Q647-E651 PolarHBondContact NE2-OE1 3.45Å; Q647-E651 WeakPolarHBondContact O-CB 3.46Å; Q647-E651 WeakPolarHBondContact O-CG 3.39Å; Q647-E651 PolarHBondContact O-N 3Å; Q647-L669 HydrophobicContact CB-CD1 4.47Å; Q647-L669 HydrophobicContact CG-CD1 3.63Å; Q647-I672 HydrophobicContact CB-CD1 4.3Å; Q647-I672 HydrophobicContact CB-CG2 4.36Å
648K92.1Very high86.9Confident157 Ų15769.5 Ų69.568%0.68336%0.358SS*.Hα-helixtrans-64.7-22179.1-69.7177.3179.7-179.40113.7G644 P645 A646 R652G644-K648 WeakPolarHBondContact O-CG 3.37Å; G644-K648 PolarHBondContact O-N 2.93Å; P645-K648 PolarHBondContact O-N 2.98Å; A646-K648 VanDerWaalsContact C-N 3.29Å; A646-K648 PolarHBondContact O-N 2.91Å; K648-R652 PolarHBondContact O-N 2.75Å
649K91.2Very high86Confident56 Ų5668.3 Ų68.324%0.24335%0.353CS..Hα-helixtrans-79.2-50.4173.2-51.7-47.1-178.1175.60111.2W630 I633 H637 P645 A646 Q647 E651 R652 I653W630-K649 HydrophobicContact CE3-CD 4.01Å; W630-K649 HydrophobicContact CZ3-CD 3.95Å; I633-K649 HydrophobicContact CG2-CD 4.33Å; I633-K649 HydrophobicContact CG2-CG 4.22Å; H637-K649 WeakPolarHBondContact NE2-CE 3.47Å; P645-K649 WeakPolarHBondContact O-CG 3.49Å; P645-K649 PolarHBondContact O-N 2.95Å; A646-K649 WeakPolarHBondContact O-CB 3.48Å; A646-K649 PolarHBondContact O-N 3.02Å; Q647-K649 PolarHBondContact O-N 2.92Å; K649-E651 VanDerWaalsContact C-N 3.33Å; K649-E651 PolarHBondContact O-N 3.21Å; K649-R652 WeakPolarHBondContact O-CB 3.37Å; K649-R652 PolarHBondContact O-N 3.45Å; K649-I653 PolarHBondContact O-N 3.43Å
650F91.1Very high85.3Confident0 Ų066.8 Ų66.80%034%0.343CS..Hα-helixtrans-64.1-37.5179.2-64.2-65.2000112.2T631 L638 A646 Q647 R652 I653 L654 Y664 A668 I672T631-F650 HydrophobicContact CG2-CE1 4.42Å; L638-F650 HydrophobicContact CD1-CE2 3.89Å; L638-F650 HydrophobicContact CD1-CZ 4.08Å; L638-F650 HydrophobicContact CG-CE2 4.2Å; A646-F650 HydrophobicContact CB-CE2 4.33Å; A646-F650 WeakPolarHBondContact O-CD2 3.25Å; A646-F650 PolarHBondContact O-N 2.99Å; A646-F650 VanDerWaalsContact O-N 3.16Å; Q647-F650 PolarHBondContact O-N 3.46Å; F650-R652 VanDerWaalsContact C-N 3.27Å; F650-R652 PolarHBondContact O-N 3.11Å; F650-I653 HydrophobicContact CD1-CD1 4.3Å; F650-I653 PolarHBondContact O-N 2.65Å; F650-L654 PolarHBondContact O-N 2.65Å; F650-Y664 HydrophobicContact CE1-CE1 4.33Å; F650-A668 HydrophobicContact CD1-CB 3.91Å; F650-A668 HydrophobicContact CD2-CB 4.11Å; F650-A668 HydrophobicContact CE1-CB 3.67Å; F650-A668 HydrophobicContact CE2-CB 3.89Å; F650-A668 HydrophobicContact CG-CB 4.13Å; F650-A668 HydrophobicContact CZ-CB 3.66Å; F650-I672 HydrophobicContact CD2-CD1 3.82Å; F650-I672 HydrophobicContact CE2-CD1 4.16Å
651E89.9Confident84.9Confident49 Ų4967.8 Ų67.823%0.22935%0.351CS..Hα-helixtrans-62.8-29170.1-79.1-173.3-150.100113.8Q647 K649 R655 L669Q647-E651 PolarHBondContact NE2-OE1 3.45Å; Q647-E651 WeakPolarHBondContact O-CB 3.46Å; Q647-E651 WeakPolarHBondContact O-CG 3.39Å; Q647-E651 PolarHBondContact O-N 3Å; K649-E651 VanDerWaalsContact C-N 3.33Å; K649-E651 PolarHBondContact O-N 3.21Å; E651-R655 VanDerWaalsContact O-CD 3.29Å; E651-R655 WeakPolarHBondContact O-CD 3.49Å; E651-R655 WeakPolarHBondContact O-CG 3.4Å; E651-R655 PolarHBondContact O-N 3.43Å; E651-R655 PolarHBondContact O-NE 3.26Å; E651-R655 IonicContact OE2-CZ 3.27Å; E651-R655 IonicContact OE2-NH2 3Å; E651-R655 PolarHBondContact OE2-NH2 3.38Å; E651-L669 HydrophobicContact CG-CD1 4.26Å; E651-L669 HydrophobicContact CG-CD2 4.5Å
652R87.9Confident84.8Confident110 Ų11063 Ų6342%0.41533%0.333SS..Hα-helixtrans-69.8-35.8177.8-178.4175.4173.7151.9-2.1111.4K648 K649 F650K648-R652 PolarHBondContact O-N 2.75Å; K649-R652 WeakPolarHBondContact O-CB 3.37Å; K649-R652 PolarHBondContact O-N 3.45Å; F650-R652 VanDerWaalsContact C-N 3.27Å; F650-R652 PolarHBondContact O-N 3.11Å
653I87.4Confident84.7Confident0 Ų061 Ų610%033%0.326CS..Hα-helixtrans-63.1-56.4173.6-57.1170.2000108.9P627 W630 T631 K649 F650 R655 Q656 S659 D662P627-I653 HydrophobicContact CB-CG2 4.2Å; W630-I653 HydrophobicContact CB-CD1 3.77Å; W630-I653 HydrophobicContact CB-CG1 3.64Å; W630-I653 HydrophobicContact CG-CG1 4.45Å; T631-I653 HydrophobicContact CG2-CD1 3.47Å; T631-I653 VanDerWaalsContact CG2-CD1 3.47Å; K649-I653 PolarHBondContact O-N 3.43Å; F650-I653 HydrophobicContact CD1-CD1 4.3Å; F650-I653 PolarHBondContact O-N 2.65Å; I653-R655 PolarHBondContact O-N 3.31Å; I653-Q656 WeakPolarHBondContact O-CB 3.44Å; I653-Q656 PolarHBondContact O-N 3.37Å; I653-S659 PolarHBondContact O-OG 2.84Å; I653-S659 VanDerWaalsContact O-OG 3.09Å; I653-D662 HydrophobicContact CG2-CB 4.49Å
654L86.1Confident84.8Confident26 Ų2664.3 Ų64.314%0.13634%0.339CS..THydrogen-bonded Turntrans-64.5-6.4-176.2-64171.8000115.3F650 S665 L666 L669F650-L654 PolarHBondContact O-N 2.65Å; L654-S665 WeakPolarHBondContact CD2-OG 3.4Å; L654-S665 WeakPolarHBondContact CG-OG 3.44Å; L654-L666 HydrophobicContact CD1-CD2 3.86Å; L654-L666 HydrophobicContact CD1-CG 4.29Å; L654-L666 HydrophobicContact CD2-CD2 4.08Å; L654-L666 HydrophobicContact CD2-CG 3.9Å; L654-L669 HydrophobicContact CD1-CD2 4.05Å
655R86.7Confident84.8Confident190 Ų19062.6 Ų62.672%0.71732%0.321SS*.THydrogen-bonded Turntrans-90.9-14.5172.1-73166-163.1-141.56.8113.5E651 I653E651-R655 VanDerWaalsContact O-CD 3.29Å; E651-R655 WeakPolarHBondContact O-CD 3.49Å; E651-R655 WeakPolarHBondContact O-CG 3.4Å; E651-R655 PolarHBondContact O-N 3.43Å; E651-R655 PolarHBondContact O-NE 3.26Å; E651-R655 IonicContact OE2-CZ 3.27Å; E651-R655 IonicContact OE2-NH2 3Å; E651-R655 PolarHBondContact OE2-NH2 3.38Å; I653-R655 PolarHBondContact O-N 3.31Å
656Q83.5Confident84.9Confident50 Ų5059.9 Ų59.923%0.23430%0.304CS..SBendtrans-79.9139.9174.2-58.6166.5-29.200109G625 I653 A658 S659 S660G625-Q656 PolarHBondContact O-NE2 2.64Å; G625-Q656 PolarHBondContact O-OE1 2.96Å; I653-Q656 WeakPolarHBondContact O-CB 3.44Å; I653-Q656 PolarHBondContact O-N 3.37Å; Q656-A658 PolarHBondContact O-N 3.48Å; Q656-S659 WeakPolarHBondContact CB-OG 3.22Å; Q656-S659 PolarHBondContact O-N 3.27Å; Q656-S659 PolarHBondContact OE1-OG 3.28Å; Q656-S660 WeakPolarHBondContact O-CA 3.41Å; Q656-S660 VanDerWaalsContact O-CB 3.29Å; Q656-S660 WeakPolarHBondContact O-CB 3.43Å; Q656-S660 PolarHBondContact O-N 2.83Å
657S68.6Low84.9Confident114 Ų11460.5 Ų60.580%0.79731%0.308SS*.THydrogen-bonded Turntrans-58.2-49.6-179.648.30000112.3S659 S660S657-S659 VanDerWaalsContact C-N 3.31Å; S657-S659 PolarHBondContact O-N 2.81Å; S657-S660 WeakPolarHBondContact O-CB 3.42Å; S657-S660 PolarHBondContact O-N 3.39Å; S657-S660 PolarHBondContact O-OG 2.84Å
658A70Confident84.9Confident105 Ų10558.5 Ų58.587%0.86830%0.3SS*.THydrogen-bonded Turntrans-64.4-25.7-175.400000115.2Q656Q656-A658 PolarHBondContact O-N 3.48Å
659S72.4Confident85Confident16 Ų1651.6 Ų51.611%0.11227%0.27CS..THydrogen-bonded Turntrans-121.612.8-177.456.40000113I653 Q656 S657 L661 D662I653-S659 PolarHBondContact O-OG 2.84Å; I653-S659 VanDerWaalsContact O-OG 3.09Å; Q656-S659 WeakPolarHBondContact CB-OG 3.22Å; Q656-S659 PolarHBondContact O-N 3.27Å; Q656-S659 PolarHBondContact OE1-OG 3.28Å; S657-S659 VanDerWaalsContact C-N 3.31Å; S657-S659 PolarHBondContact O-N 2.81Å; S659-L661 PolarHBondContact O-N 2.86Å; S659-D662 WeakPolarHBondContact O-CB 3.38Å; S659-D662 PolarHBondContact O-N 3.34Å
660S72.1Confident85.1Confident42 Ų4249 Ų4929%0.29426%0.258SS..THydrogen-bonded Turntrans-57.3-19.4178.257.10000115.1Q656 S657Q656-S660 WeakPolarHBondContact O-CA 3.41Å; Q656-S660 VanDerWaalsContact O-CB 3.29Å; Q656-S660 WeakPolarHBondContact O-CB 3.43Å; Q656-S660 PolarHBondContact O-N 2.83Å; S657-S660 WeakPolarHBondContact O-CB 3.42Å; S657-S660 PolarHBondContact O-N 3.39Å; S657-S660 PolarHBondContact O-OG 2.84Å
661L77.8Confident85.2Confident105 Ų10551.8 Ų51.855%0.5527%0.273SS..THydrogen-bonded Turntrans-115.617.5178.3-62.8177.4000112.7S659 S663 V704S659-L661 PolarHBondContact O-N 2.86Å; L661-S663 PolarHBondContact O-N 3.4Å; L661-S663 VanDerWaalsContact O-N 3.08Å; L661-V704 HydrophobicContact CB-CG2 3.89Å; L661-V704 HydrophobicContact CD2-CG2 3.93Å; L661-V704 HydrophobicContact CG-CG2 4.37Å; L661-V704 WeakPolarHBondContact O-CG1 3.48Å
662D84.4Confident85.3Confident44 Ų4449.6 Ų49.624%0.23526%0.264CS..  trans-59.6115.5176.2166.238.8000111.7I653 S659 Y664 S665 L666I653-D662 HydrophobicContact CG2-CB 4.49Å; S659-D662 WeakPolarHBondContact O-CB 3.38Å; S659-D662 PolarHBondContact O-N 3.34Å; D662-Y664 VanDerWaalsContact C-N 3.27Å; D662-Y664 PolarHBondContact O-N 2.85Å; D662-Y664 WeakPolarHBondContact OD1-CB 3.37Å; D662-Y664 PolarHBondContact OD1-N 3.34Å; D662-S665 PolarHBondContact O-OG 2.97Å; D662-S665 WeakPolarHBondContact OD2-CB 3.26Å; D662-S665 PolarHBondContact OD2-N 3.37Å; D662-S665 PolarHBondContact OD2-OG 3.01Å; D662-L666 WeakPolarHBondContact O-CB 3.41Å; D662-L666 VanDerWaalsContact O-CG 3.29Å; D662-L666 WeakPolarHBondContact O-CG 3.44Å; D662-L666 PolarHBondContact O-N 2.87Å; D662-L666 VanDerWaalsContact O-N 3.12Å
663S85.7Confident85.5Confident25 Ų2545.8 Ų45.818%0.17525%0.249CC..Hα-helixtrans-67.8-25.6-177.7-152.40000112.5L661 V667 S705 N708L661-S663 PolarHBondContact O-N 3.4Å; L661-S663 VanDerWaalsContact O-N 3.08Å; S663-V667 WeakPolarHBondContact O-CG2 3.44Å; S663-V667 PolarHBondContact O-N 3.43Å; S663-V667 VanDerWaalsContact O-N 3.14Å; S663-S705 PolarHBondContact OG-OG 3.41Å; S663-N708 PolarHBondContact OG-ND2 2.89Å
664Y88.9Confident85.7Confident121 Ų12146.8 Ų46.848%0.47525%0.254SS..Hα-helixtrans-72.7-54178.1-173.5-92.5000111.9T631 N635 F650 D662 L666 V667 A668T631-Y664 HydrophobicContact CG2-CD1 3.84Å; T631-Y664 HydrophobicContact CG2-CE1 4.23Å; N635-Y664 PolarHBondContact ND2-OH 3.5Å; N635-Y664 PolarHBondContact OD1-OH 3.15Å; F650-Y664 HydrophobicContact CE1-CE1 4.33Å; D662-Y664 VanDerWaalsContact C-N 3.27Å; D662-Y664 PolarHBondContact O-N 2.85Å; D662-Y664 WeakPolarHBondContact OD1-CB 3.37Å; D662-Y664 PolarHBondContact OD1-N 3.34Å; Y664-L666 VanDerWaalsContact C-N 3.3Å; Y664-L666 PolarHBondContact O-N 3.2Å; Y664-V667 PolarHBondContact O-N 2.97Å; Y664-A668 WeakPolarHBondContact O-CB 3.08Å; Y664-A668 PolarHBondContact O-N 2.95Å
665S90.7Very high85.9Confident0 Ų048 Ų480%026%0.261CS..Hα-helixtrans-66.7-29.217857.20000112.9L654 D662 L669L654-S665 WeakPolarHBondContact CD2-OG 3.4Å; L654-S665 WeakPolarHBondContact CG-OG 3.44Å; D662-S665 PolarHBondContact O-OG 2.97Å; D662-S665 WeakPolarHBondContact OD2-CB 3.26Å; D662-S665 PolarHBondContact OD2-N 3.37Å; D662-S665 PolarHBondContact OD2-OG 3.01Å; S665-L669 WeakPolarHBondContact O-CB 3.47Å; S665-L669 PolarHBondContact O-N 3.41Å
666L91.9Very high85.9Confident0 Ų040.2 Ų40.20%024%0.235CC..Hα-helixtrans-60.8-52167-74.1170.4000111.5L654 D662 Y664 A668 L669 G670 I697 R700 A701 V704L654-L666 HydrophobicContact CD1-CD2 3.86Å; L654-L666 HydrophobicContact CD1-CG 4.29Å; L654-L666 HydrophobicContact CD2-CD2 4.08Å; L654-L666 HydrophobicContact CD2-CG 3.9Å; D662-L666 WeakPolarHBondContact O-CB 3.41Å; D662-L666 VanDerWaalsContact O-CG 3.29Å; D662-L666 WeakPolarHBondContact O-CG 3.44Å; D662-L666 PolarHBondContact O-N 2.87Å; D662-L666 VanDerWaalsContact O-N 3.12Å; Y664-L666 VanDerWaalsContact C-N 3.3Å; Y664-L666 PolarHBondContact O-N 3.2Å; L666-A668 PolarHBondContact O-N 3.08Å; L666-L669 PolarHBondContact O-N 3Å; L666-G670 PolarHBondContact O-N 2.9Å; L666-I697 HydrophobicContact CB-CG2 4.36Å; L666-I697 HydrophobicContact CD2-CG2 4.18Å; L666-I697 WeakPolarHBondContact O-CG2 3.46Å; L666-R700 HydrophobicContact CD1-CB 4.35Å; L666-R700 HydrophobicContact CD2-CB 4.31Å; L666-A701 HydrophobicContact CB-CB 4Å; L666-A701 HydrophobicContact CD1-CB 4.43Å; L666-V704 HydrophobicContact CD1-CG2 4.39Å
667V92.9Very high86.1Confident13 Ų1338.5 Ų38.58%0.07923%0.228CC..Hα-helixtrans-61.3-44.4177.7166.40000111.7S663 Y664 L669 G670 N671 A701 N708 A711S663-V667 WeakPolarHBondContact O-CG2 3.44Å; S663-V667 PolarHBondContact O-N 3.43Å; S663-V667 VanDerWaalsContact O-N 3.14Å; Y664-V667 PolarHBondContact O-N 2.97Å; V667-L669 VanDerWaalsContact C-N 3.34Å; V667-L669 PolarHBondContact O-N 3.42Å; V667-G670 PolarHBondContact O-N 3.12Å; V667-N671 PolarHBondContact O-N 2.8Å; V667-N671 PolarHBondContact O-OD1 3.42Å; V667-A701 HydrophobicContact CG2-CB 4.14Å; V667-N708 VanDerWaalsContact CG2-ND2 3.3Å; V667-N708 WeakPolarHBondContact CG2-ND2 3.14Å; V667-A711 HydrophobicContact CG2-CB 4.01Å
668A92.2Very high86.8Confident6 Ų637.4 Ų37.45%0.0521%0.21CC..Hα-helixtrans-60.9-42178.200000112F650 Y664 L666 N671 I672F650-A668 HydrophobicContact CD1-CB 3.91Å; F650-A668 HydrophobicContact CD2-CB 4.11Å; F650-A668 HydrophobicContact CE1-CB 3.67Å; F650-A668 HydrophobicContact CE2-CB 3.89Å; F650-A668 HydrophobicContact CG-CB 4.13Å; F650-A668 HydrophobicContact CZ-CB 3.66Å; Y664-A668 WeakPolarHBondContact O-CB 3.08Å; Y664-A668 PolarHBondContact O-N 2.95Å; L666-A668 PolarHBondContact O-N 3.08Å; A668-N671 PolarHBondContact O-N 3.41Å; A668-I672 WeakPolarHBondContact O-CG1 3.37Å; A668-I672 PolarHBondContact O-N 3.23Å
669L92.8Very high87.5Confident12 Ų1238.1 Ų38.16%0.06320%0.195CC..Hα-helixtrans-65.6-41174.6-170.769.8000111.6Q647 E651 L654 S665 L666 V667 N671 I672 W673 I697Q647-L669 HydrophobicContact CB-CD1 4.47Å; Q647-L669 HydrophobicContact CG-CD1 3.63Å; E651-L669 HydrophobicContact CG-CD1 4.26Å; E651-L669 HydrophobicContact CG-CD2 4.5Å; L654-L669 HydrophobicContact CD1-CD2 4.05Å; S665-L669 WeakPolarHBondContact O-CB 3.47Å; S665-L669 PolarHBondContact O-N 3.41Å; L666-L669 PolarHBondContact O-N 3Å; V667-L669 VanDerWaalsContact C-N 3.34Å; V667-L669 PolarHBondContact O-N 3.42Å; L669-N671 VanDerWaalsContact C-N 3.33Å; L669-N671 PolarHBondContact O-N 2.96Å; L669-I672 PolarHBondContact O-N 3.3Å; L669-W673 PolarHBondContact O-N 3.37Å; L669-W673 VanDerWaalsContact O-N 3.13Å; L669-I697 HydrophobicContact CB-CG2 4.39Å; L669-I697 HydrophobicContact CD2-CD1 3.8Å; L669-I697 HydrophobicContact CD2-CG1 4.44Å; L669-I697 HydrophobicContact CG-CD1 3.94Å
670G93Very high88Confident0 Ų039.7 Ų39.70%020%0.202CC..Hα-helixtrans-58.5-43.817300000112.4L666 V667 I672 W673 L674 Y698L666-G670 PolarHBondContact O-N 2.9Å; V667-G670 PolarHBondContact O-N 3.12Å; G670-I672 VanDerWaalsContact C-N 3.35Å; G670-I672 PolarHBondContact O-N 3.21Å; G670-W673 PolarHBondContact O-N 3.06Å; G670-W673 VanDerWaalsContact O-N 3.15Å; G670-L674 PolarHBondContact O-N 3.06Å; G670-Y698 VanDerWaalsContact C-OH 3.29Å; G670-Y698 PolarHBondContact O-OH 3.31Å
671N93.3Very high88.2Confident59 Ų5946.3 Ų46.332%0.31622%0.221SC..Hα-helixtrans-63.9-36.7176.6-65.5-7.1000112.1V667 A668 L669 L674 L675 Y698V667-N671 PolarHBondContact O-N 2.8Å; V667-N671 PolarHBondContact O-OD1 3.42Å; A668-N671 PolarHBondContact O-N 3.41Å; L669-N671 VanDerWaalsContact C-N 3.33Å; L669-N671 PolarHBondContact O-N 2.96Å; N671-L674 WeakPolarHBondContact O-CB 3.43Å; N671-L674 PolarHBondContact O-N 3.27Å; N671-L675 WeakPolarHBondContact O-CD1 3.49Å; N671-L675 VanDerWaalsContact O-CG 3.3Å; N671-L675 WeakPolarHBondContact O-CG 3.33Å; N671-L675 PolarHBondContact O-N 3.02Å; N671-Y698 WeakPolarHBondContact CA-OH 3.36Å; N671-Y698 PolarHBondContact N-OH 2.67Å; N671-Y698 PolarHBondContact OD1-OH 3.35Å
672I92.7Very high88.3Confident4 Ų448.3 Ų48.32%0.02123%0.227CC..Hα-helixtrans-62.3-42.3172.6-68.6165.9000111L638 W643 A646 Q647 F650 A668 L669 G670 L675 S676L638-I672 HydrophobicContact CD2-CD1 3.96Å; L638-I672 HydrophobicContact CD2-CG1 3.69Å; W643-I672 HydrophobicContact CB-CG2 4.33Å; A646-I672 HydrophobicContact CB-CD1 3.9Å; Q647-I672 HydrophobicContact CB-CD1 4.3Å; Q647-I672 HydrophobicContact CB-CG2 4.36Å; F650-I672 HydrophobicContact CD2-CD1 3.82Å; F650-I672 HydrophobicContact CE2-CD1 4.16Å; A668-I672 WeakPolarHBondContact O-CG1 3.37Å; A668-I672 PolarHBondContact O-N 3.23Å; L669-I672 PolarHBondContact O-N 3.3Å; G670-I672 VanDerWaalsContact C-N 3.35Å; G670-I672 PolarHBondContact O-N 3.21Å; I672-L675 PolarHBondContact O-N 3.02Å; I672-S676 WeakPolarHBondContact O-CB 3.37Å; I672-S676 PolarHBondContact O-N 3.5Å
673W92.5Very high88.5Confident30 Ų3048.5 Ų48.511%0.11423%0.228CC..Hα-helixtrans-70-32176.4-69.9108.6000113.1L669 G670 S676 M677 R693 A694 I697L669-W673 PolarHBondContact O-N 3.37Å; L669-W673 VanDerWaalsContact O-N 3.13Å; G670-W673 PolarHBondContact O-N 3.06Å; G670-W673 VanDerWaalsContact O-N 3.15Å; W673-S676 PolarHBondContact O-N 2.98Å; W673-M677 WeakPolarHBondContact O-CB 3.39Å; W673-M677 PolarHBondContact O-N 3.48Å; W673-R693 HydrophobicContact CD2-CB 3.95Å; W673-R693 HydrophobicContact CE3-CB 4.33Å; W673-R693 HydrophobicContact CG-CB 4.04Å; W673-A694 HydrophobicContact CB-CB 3.73Å; W673-I697 HydrophobicContact CG-CD1 4.41Å
674L92.4Very high88.4Confident20 Ų2055.5 Ų55.511%0.10526%0.258CS..Hα-helixtrans-62.5-47.2170.8-172.679.9000111.5G670 N671 M677 Q678 C717 I718G670-L674 PolarHBondContact O-N 3.06Å; N671-L674 WeakPolarHBondContact O-CB 3.43Å; N671-L674 PolarHBondContact O-N 3.27Å; L674-M677 HydrophobicContact CD1-CE 4.28Å; L674-M677 WeakPolarHBondContact O-CB 3.08Å; L674-M677 PolarHBondContact O-N 3.01Å; L674-Q678 PolarHBondContact O-N 3.19Å; L674-Q678 VanDerWaalsContact O-N 3.09Å; L674-C717 HydrophobicContact CD1-CB 4.04Å; L674-C717 HydrophobicContact CD2-CB 4Å; L674-I718 HydrophobicContact CD1-CD1 4.22Å; L674-I718 HydrophobicContact CD1-CG1 3.49Å; L674-I718 VanDerWaalsContact CD1-CG1 3.49Å
675L88.9Confident88.4Confident52 Ų5255.4 Ų55.427%0.27226%0.262SS..Hα-helixtrans-66.5-38.2177-69.4163.2000111.7W643 N671 I672 M677 Q678 Q679W643-L675 HydrophobicContact CE3-CD1 4.21Å; W643-L675 HydrophobicContact CH2-CD1 3.8Å; W643-L675 HydrophobicContact CZ2-CD1 4.26Å; W643-L675 HydrophobicContact CZ3-CD1 3.77Å; N671-L675 WeakPolarHBondContact O-CD1 3.49Å; N671-L675 VanDerWaalsContact O-CG 3.3Å; N671-L675 WeakPolarHBondContact O-CG 3.33Å; N671-L675 PolarHBondContact O-N 3.02Å; I672-L675 PolarHBondContact O-N 3.02Å; L675-M677 VanDerWaalsContact C-N 3.33Å; L675-M677 PolarHBondContact O-N 3.01Å; L675-Q678 PolarHBondContact O-N 2.93Å; L675-Q679 PolarHBondContact O-N 3.3Å
676S87.9Confident88.2Confident26 Ų2660.1 Ų60.118%0.18228%0.283CS..Hα-helixtrans-61.7-39.4172.8-177.10000112.2I672 W673 Q679 N680 S690I672-S676 WeakPolarHBondContact O-CB 3.37Å; I672-S676 PolarHBondContact O-N 3.5Å; W673-S676 PolarHBondContact O-N 2.98Å; S676-Q679 PolarHBondContact O-N 2.94Å; S676-N680 WeakPolarHBondContact O-CB 3.43Å; S676-N680 PolarHBondContact O-N 3.34Å; S676-N680 PolarHBondContact O-ND2 3.31Å; S676-S690 PolarHBondContact OG-OG 2.68Å
677M86.7Confident88Confident15 Ų1561 Ų617%0.07429%0.289CS..Hα-helixtrans-62.6-42.4172.9-175.4-168.977.800111.4W673 L674 L675 N680 W681 A687 R691 H721W673-M677 WeakPolarHBondContact O-CB 3.39Å; W673-M677 PolarHBondContact O-N 3.48Å; L674-M677 HydrophobicContact CD1-CE 4.28Å; L674-M677 WeakPolarHBondContact O-CB 3.08Å; L674-M677 PolarHBondContact O-N 3.01Å; L675-M677 VanDerWaalsContact C-N 3.33Å; L675-M677 PolarHBondContact O-N 3.01Å; M677-N680 PolarHBondContact O-N 3.43Å; M677-W681 PolarHBondContact O-N 3.36Å; M677-A687 HydrophobicContact CG-CB 4.21Å; M677-R691 HydrophobicContact CG-CB 4.42Å; M677-R691 HydrophobicContact SD-CB 3.64Å; M677-R691 HydrophobicContact SD-CG 3.89Å; M677-H721 HydrophobicContact CE-CB 3.78Å; M677-H721 WeakPolarHBondContact CE-CD2 3.43Å
678Q84.4Confident87.9Confident91 Ų9166.8 Ų66.843%0.42531%0.311SS..Hα-helixtrans-66.4-35.6176.3-71.8179.3-45.100113.2L674 L675 W681 H721L674-Q678 PolarHBondContact O-N 3.19Å; L674-Q678 VanDerWaalsContact O-N 3.09Å; L675-Q678 PolarHBondContact O-N 2.93Å; Q678-W681 VanDerWaalsContact O-CD1 3.31Å; Q678-H721 PolarHBondContact NE2-NE2 2.86Å
679Q83.4Confident87.8Confident119 Ų11972.3 Ų72.356%0.55633%0.331SS*.Hα-helixtrans-70.9-37.6175.3-73.5-170.2-36.500112.7W643 L675 S676 W681W643-Q679 VanDerWaalsContact CD1-OE1 3.24Å; W643-Q679 VanDerWaalsContact NE1-NE2 3.12Å; L675-Q679 PolarHBondContact O-N 3.3Å; S676-Q679 PolarHBondContact O-N 2.94Å; Q679-W681 VanDerWaalsContact C-N 3.33Å; Q679-W681 PolarHBondContact O-N 2.85Å
680N82.8Confident87.7Confident50 Ų5072.1 Ų72.127%0.26733%0.33SS..THydrogen-bonded Turntrans-93.625.4-177.3-66-88.5000113.1S676 M677 H682 D683 K686S676-N680 WeakPolarHBondContact O-CB 3.43Å; S676-N680 PolarHBondContact O-N 3.34Å; S676-N680 PolarHBondContact O-ND2 3.31Å; M677-N680 PolarHBondContact O-N 3.43Å; N680-H682 PolarHBondContact O-N 3.43Å; N680-H682 VanDerWaalsContact O-N 3.11Å; N680-D683 PolarHBondContact O-N 3.35Å; N680-K686 HydrophobicContact CB-CB 3.92Å
681W77.2Confident87.7Confident180 Ų18074.5 Ų74.568%0.68234%0.339SS*.THydrogen-bonded Turntrans-60.9-23.1-174.374.3-87.7000114.6M677 Q678 Q679 D683M677-W681 PolarHBondContact O-N 3.36Å; Q678-W681 VanDerWaalsContact O-CD1 3.31Å; Q679-W681 VanDerWaalsContact C-N 3.33Å; Q679-W681 PolarHBondContact O-N 2.85Å; W681-D683 VanDerWaalsContact C-N 3.3Å
682H80.2Confident87.6Confident148 Ų14874.5 Ų74.569%0.68534%0.339SS*.THydrogen-bonded Turntrans-72.6-17.8173.7-60.8-78.4000114.2N680N680-H682 PolarHBondContact O-N 3.43Å; N680-H682 VanDerWaalsContact O-N 3.11Å
683D87.5Confident87.6Confident47 Ų4780.7 Ų80.725%0.25136%0.362SS..  trans-118.295.9-173.9-177.2-45.1000108.8N680 W681 E685 K686 A687N680-D683 PolarHBondContact O-N 3.35Å; W681-D683 VanDerWaalsContact C-N 3.3Å; D683-E685 PolarHBondContact O-N 3.3Å; D683-E685 PolarHBondContact OD1-N 2.96Å; D683-K686 HydrophobicContact CB-CB 4.06Å; D683-K686 HydrophobicContact CB-CD 4.21Å; D683-K686 HydrophobicContact CB-CG 4.3Å; D683-K686 PolarHBondContact O-N 2.96Å; D683-K686 VanDerWaalsContact O-N 3.16Å; D683-K686 WeakPolarHBondContact OD1-CB 3.11Å; D683-K686 WeakPolarHBondContact OD1-CG 3.45Å; D683-K686 PolarHBondContact OD1-N 3.42Å; D683-K686 WeakPolarHBondContact OD2-CD 3.44Å; D683-K686 WeakPolarHBondContact OD2-CE 3.45Å; D683-K686 IonicContact OD2-NZ 2.75Å; D683-K686 PolarHBondContact OD2-NZ 2.87Å; D683-A687 WeakPolarHBondContact O-CB 3.45Å; D683-A687 PolarHBondContact O-N 3.44Å
684E84.3Confident87.7Confident173 Ų17379.3 Ų79.381%0.80836%0.357SS*.Hα-helixtrans-57.8-34.8-174.5-64-167.6159.500112.4Y688E684-Y688 WeakPolarHBondContact O-CB 3.27Å; E684-Y688 PolarHBondContact O-N 2.97Å
685E88.3Confident87.7Confident118 Ų11880.1 Ų80.155%0.55136%0.361SS*.Hα-helixtrans-69-45.4177.5-61.3-159.913900112.3D683 Y688 R689D683-E685 PolarHBondContact O-N 3.3Å; D683-E685 PolarHBondContact OD1-N 2.96Å; E685-Y688 PolarHBondContact O-N 3.38Å; E685-R689 VanDerWaalsContact CB-NH1 3.32Å; E685-R689 VanDerWaalsContact CD-NH2 3.26Å; E685-R689 WeakPolarHBondContact O-CB 3.48Å; E685-R689 WeakPolarHBondContact O-CD 3.15Å; E685-R689 WeakPolarHBondContact O-CG 3.28Å; E685-R689 PolarHBondContact O-N 3.21Å; E685-R689 IonicContact OE1-NH2 3.75Å; E685-R689 PolarHBondContact OE1-NH2 2.96Å; E685-R689 IonicContact OE2-CZ 2.68Å; E685-R689 IonicContact OE2-NH1 2.65Å; E685-R689 PolarHBondContact OE2-NH1 3.42Å; E685-R689 IonicContact OE2-NH2 2.65Å; E685-R689 PolarHBondContact OE2-NH2 3.49Å
686K87.9Confident88Confident100 Ų10080.9 Ų80.944%0.43537%0.371SS..Hα-helixtrans-66.6-40177.9-71.3-177.6-172.8110.40111N680 D683 S690N680-K686 HydrophobicContact CB-CB 3.92Å; D683-K686 HydrophobicContact CB-CB 4.06Å; D683-K686 HydrophobicContact CB-CD 4.21Å; D683-K686 HydrophobicContact CB-CG 4.3Å; D683-K686 PolarHBondContact O-N 2.96Å; D683-K686 VanDerWaalsContact O-N 3.16Å; D683-K686 WeakPolarHBondContact OD1-CB 3.11Å; D683-K686 WeakPolarHBondContact OD1-CG 3.45Å; D683-K686 PolarHBondContact OD1-N 3.42Å; D683-K686 WeakPolarHBondContact OD2-CD 3.44Å; D683-K686 WeakPolarHBondContact OD2-CE 3.45Å; D683-K686 IonicContact OD2-NZ 2.75Å; D683-K686 PolarHBondContact OD2-NZ 2.87Å; K686-S690 WeakPolarHBondContact O-CB 3.28Å; K686-S690 PolarHBondContact O-N 2.74Å; K686-S690 PolarHBondContact O-OG 3.05Å
687A87.7Confident88.2Confident17 Ų1780.4 Ų80.414%0.1437%0.366CS..Hα-helixtrans-61.8-48.4172.600000111.1M677 D683 R689 S690 R691M677-A687 HydrophobicContact CG-CB 4.21Å; D683-A687 WeakPolarHBondContact O-CB 3.45Å; D683-A687 PolarHBondContact O-N 3.44Å; A687-R689 PolarHBondContact O-N 3.35Å; A687-S690 PolarHBondContact O-N 3Å; A687-R691 WeakPolarHBondContact O-CB 3.49Å; A687-R691 PolarHBondContact O-N 3.37Å
688Y89.3Confident88.6Confident136 Ų13679.7 Ų79.753%0.53336%0.363SS..Hα-helixtrans-57.7-47.4176.5-177.7-84.2000112.3E684 E685 N692E684-Y688 WeakPolarHBondContact O-CB 3.27Å; E684-Y688 PolarHBondContact O-N 2.97Å; E685-Y688 PolarHBondContact O-N 3.38Å; Y688-N692 WeakPolarHBondContact CE1-ND2 3.43Å; Y688-N692 PolarHBondContact O-N 3.02Å; Y688-N692 VanDerWaalsContact O-N 3.08Å
689R90.7Very high89Confident122 Ų12283.9 Ų83.946%0.4638%0.375SS..Hα-helixtrans-62.4-44.3177.3-71.2164.9-175.4136.65.6111.8E685 A687 R693E685-R689 VanDerWaalsContact CB-NH1 3.32Å; E685-R689 VanDerWaalsContact CD-NH2 3.26Å; E685-R689 WeakPolarHBondContact O-CB 3.48Å; E685-R689 WeakPolarHBondContact O-CD 3.15Å; E685-R689 WeakPolarHBondContact O-CG 3.28Å; E685-R689 PolarHBondContact O-N 3.21Å; E685-R689 IonicContact OE1-NH2 3.75Å; E685-R689 PolarHBondContact OE1-NH2 2.96Å; E685-R689 IonicContact OE2-CZ 2.68Å; E685-R689 IonicContact OE2-NH1 2.65Å; E685-R689 PolarHBondContact OE2-NH1 3.42Å; E685-R689 IonicContact OE2-NH2 2.65Å; E685-R689 PolarHBondContact OE2-NH2 3.49Å; A687-R689 PolarHBondContact O-N 3.35Å; R689-R693 WeakPolarHBondContact O-CG 3.46Å; R689-R693 PolarHBondContact O-N 2.87Å
690S90.6Very high89.4Confident8 Ų883.1 Ų83.16%0.05637%0.367CS..Hα-helixtrans-68.6-43.3179.5-61.30000112.1S676 K686 A687 N692 R693 A694S676-S690 PolarHBondContact OG-OG 2.68Å; K686-S690 WeakPolarHBondContact O-CB 3.28Å; K686-S690 PolarHBondContact O-N 2.74Å; K686-S690 PolarHBondContact O-OG 3.05Å; A687-S690 PolarHBondContact O-N 3Å; S690-N692 PolarHBondContact O-N 3.12Å; S690-R693 WeakPolarHBondContact O-CB 3.25Å; S690-R693 PolarHBondContact O-N 3.26Å; S690-A694 PolarHBondContact O-N 3.4Å
691R92.3Very high89.7Confident49 Ų4980.8 Ų80.819%0.18535%0.354CS..Hα-helixtrans-55.5-48.9174.6-176179.560.7124.73.5112.5M677 A687 R693 A694 L695 I718 L722M677-R691 HydrophobicContact CG-CB 4.42Å; M677-R691 HydrophobicContact SD-CB 3.64Å; M677-R691 HydrophobicContact SD-CG 3.89Å; A687-R691 WeakPolarHBondContact O-CB 3.49Å; A687-R691 PolarHBondContact O-N 3.37Å; R691-R693 VanDerWaalsContact C-N 3.32Å; R691-R693 PolarHBondContact O-N 3.25Å; R691-A694 PolarHBondContact O-N 3.04Å; R691-L695 HydrophobicContact CG-CD1 4.38Å; R691-L695 PolarHBondContact O-N 2.95Å; R691-I718 HydrophobicContact CG-CG2 3.74Å; R691-L722 VanDerWaalsContact NH1-CD1 3.34Å
692N92.3Very high90.3Very high60 Ų6074.2 Ų74.232%0.32133%0.332SS..Hα-helixtrans-68.3-32.4-178.8-721.1000112.1Y688 S690 S696Y688-N692 WeakPolarHBondContact CE1-ND2 3.43Å; Y688-N692 PolarHBondContact O-N 3.02Å; Y688-N692 VanDerWaalsContact O-N 3.08Å; S690-N692 PolarHBondContact O-N 3.12Å; N692-S696 WeakPolarHBondContact O-CB 3.39Å; N692-S696 PolarHBondContact O-N 3.02Å
693R92.5Very high90.8Very high134 Ų13471.8 Ų71.851%0.50633%0.332SS..Hα-helixtrans-65.4-47.9170.5-73.4173.8178.6176.40111.6W673 R689 S690 R691 L695 S696 I697W673-R693 HydrophobicContact CD2-CB 3.95Å; W673-R693 HydrophobicContact CE3-CB 4.33Å; W673-R693 HydrophobicContact CG-CB 4.04Å; R689-R693 WeakPolarHBondContact O-CG 3.46Å; R689-R693 PolarHBondContact O-N 2.87Å; S690-R693 WeakPolarHBondContact O-CB 3.25Å; S690-R693 PolarHBondContact O-N 3.26Å; R691-R693 VanDerWaalsContact C-N 3.32Å; R691-R693 PolarHBondContact O-N 3.25Å; R693-L695 PolarHBondContact O-N 3.23Å; R693-S696 PolarHBondContact O-N 2.81Å; R693-I697 WeakPolarHBondContact O-CD1 3.44Å; R693-I697 VanDerWaalsContact O-CG1 3.29Å; R693-I697 WeakPolarHBondContact O-CG1 3.4Å; R693-I697 PolarHBondContact O-N 2.93Å
694A94.4Very high90.6Very high0 Ų072.6 Ų72.60%034%0.338CS..Hα-helixtrans-57.8-49.1176.800000111.9W673 S690 R691 S696 I697 Y698 I718W673-A694 HydrophobicContact CB-CB 3.73Å; S690-A694 PolarHBondContact O-N 3.4Å; R691-A694 PolarHBondContact O-N 3.04Å; A694-S696 PolarHBondContact O-N 3.18Å; A694-I697 PolarHBondContact O-N 2.92Å; A694-Y698 HydrophobicContact CB-CD2 4.45Å; A694-Y698 HydrophobicContact CB-CE2 4.15Å; A694-Y698 WeakPolarHBondContact O-CD2 3.35Å; A694-Y698 PolarHBondContact O-N 2.88Å; A694-I718 HydrophobicContact CB-CD1 3.61Å
695L93.3Very high90.3Very high37 Ų3766 Ų6619%0.19431%0.311CS..Hα-helixtrans-58.9-42.7176.1-74.8173.3000112.9R691 R693 I697 R699 I715 I718R691-L695 HydrophobicContact CG-CD1 4.38Å; R691-L695 PolarHBondContact O-N 2.95Å; R693-L695 PolarHBondContact O-N 3.23Å; L695-I697 VanDerWaalsContact C-N 3.34Å; L695-I697 PolarHBondContact O-N 3.15Å; L695-R699 WeakPolarHBondContact O-CB 3.41Å; L695-R699 VanDerWaalsContact O-CG 3.26Å; L695-R699 WeakPolarHBondContact O-CG 3.5Å; L695-R699 PolarHBondContact O-N 2.67Å; L695-I715 HydrophobicContact CD2-CG1 4.41Å; L695-I718 HydrophobicContact CD1-CG2 4.11Å; L695-I718 HydrophobicContact CD2-CB 4.2Å; L695-I718 HydrophobicContact CD2-CD1 3.83Å; L695-I718 HydrophobicContact CD2-CG2 3.88Å; L695-I718 HydrophobicContact CG-CD1 3.84Å; L695-I718 HydrophobicContact CG-CG2 4Å
696S93.5Very high90.1Very high68 Ų6864.5 Ų64.548%0.47632%0.319SS..Hα-helixtrans-60.8-43.4176.2-178.70000111.7N692 R693 A694 R699 R700N692-S696 WeakPolarHBondContact O-CB 3.39Å; N692-S696 PolarHBondContact O-N 3.02Å; R693-S696 PolarHBondContact O-N 2.81Å; A694-S696 PolarHBondContact O-N 3.18Å; S696-R699 PolarHBondContact O-N 2.84Å; S696-R700 WeakPolarHBondContact O-CG 3.46Å; S696-R700 PolarHBondContact O-N 3.24Å
697I93.2Very high89.4Confident16 Ų1666.1 Ų66.18%0.08233%0.328CS..Hα-helixtrans-71.6-42.8-178.5-67.6160.4000111.8L666 L669 W673 R693 A694 L695 R699 R700 A701L666-I697 HydrophobicContact CB-CG2 4.36Å; L666-I697 HydrophobicContact CD2-CG2 4.18Å; L666-I697 WeakPolarHBondContact O-CG2 3.46Å; L669-I697 HydrophobicContact CB-CG2 4.39Å; L669-I697 HydrophobicContact CD2-CD1 3.8Å; L669-I697 HydrophobicContact CD2-CG1 4.44Å; L669-I697 HydrophobicContact CG-CD1 3.94Å; W673-I697 HydrophobicContact CG-CD1 4.41Å; R693-I697 WeakPolarHBondContact O-CD1 3.44Å; R693-I697 VanDerWaalsContact O-CG1 3.29Å; R693-I697 WeakPolarHBondContact O-CG1 3.4Å; R693-I697 PolarHBondContact O-N 2.93Å; A694-I697 PolarHBondContact O-N 2.92Å; L695-I697 VanDerWaalsContact C-N 3.34Å; L695-I697 PolarHBondContact O-N 3.15Å; I697-R699 VanDerWaalsContact C-N 3.35Å; I697-R699 PolarHBondContact O-N 2.85Å; I697-R700 WeakPolarHBondContact O-CB 3.49Å; I697-R700 PolarHBondContact O-N 2.82Å; I697-A701 PolarHBondContact O-N 2.73Å
698Y94.7Very high89.4Confident0 Ų066.2 Ų66.20%033%0.326CS..Hα-helixtrans-65.2-37.3174.4-64.6-50.2000112.1G670 N671 A694 R700 A701 L702 A711 I715 I718G670-Y698 VanDerWaalsContact C-OH 3.29Å; G670-Y698 PolarHBondContact O-OH 3.31Å; N671-Y698 WeakPolarHBondContact CA-OH 3.36Å; N671-Y698 PolarHBondContact N-OH 2.67Å; N671-Y698 PolarHBondContact OD1-OH 3.35Å; A694-Y698 HydrophobicContact CB-CD2 4.45Å; A694-Y698 HydrophobicContact CB-CE2 4.15Å; A694-Y698 WeakPolarHBondContact O-CD2 3.35Å; A694-Y698 PolarHBondContact O-N 2.88Å; Y698-R700 VanDerWaalsContact C-N 3.32Å; Y698-R700 PolarHBondContact O-N 3.24Å; Y698-A701 PolarHBondContact O-N 3.26Å; Y698-L702 PolarHBondContact O-N 2.93Å; Y698-A711 HydrophobicContact CD1-CB 4.26Å; Y698-I715 HydrophobicContact CD2-CG1 4.04Å; Y698-I715 HydrophobicContact CG-CG1 4.16Å; Y698-I718 HydrophobicContact CD2-CD1 4.03Å; Y698-I718 HydrophobicContact CE2-CD1 3.86Å
699R92.8Very high89.3Confident180 Ų18060.7 Ų60.768%0.67931%0.307SS*.Hα-helixtrans-61.3-38.8171.4-76.6175.8177.3-168.4-1112.1L695 S696 I697 L702 S703L695-R699 WeakPolarHBondContact O-CB 3.41Å; L695-R699 VanDerWaalsContact O-CG 3.26Å; L695-R699 WeakPolarHBondContact O-CG 3.5Å; L695-R699 PolarHBondContact O-N 2.67Å; S696-R699 PolarHBondContact O-N 2.84Å; I697-R699 VanDerWaalsContact C-N 3.35Å; I697-R699 PolarHBondContact O-N 2.85Å; R699-L702 PolarHBondContact O-N 3.44Å; R699-S703 PolarHBondContact O-N 2.65Å
700R91.3Very high89.3Confident103 Ų10360.2 Ų60.239%0.38931%0.306SS..Hα-helixtrans-62.2-45.9171.9-75.1179.562.9-155.8-5.1112.1L666 S696 I697 Y698 L702 S703 V704L666-R700 HydrophobicContact CD1-CB 4.35Å; L666-R700 HydrophobicContact CD2-CB 4.31Å; S696-R700 WeakPolarHBondContact O-CG 3.46Å; S696-R700 PolarHBondContact O-N 3.24Å; I697-R700 WeakPolarHBondContact O-CB 3.49Å; I697-R700 PolarHBondContact O-N 2.82Å; Y698-R700 VanDerWaalsContact C-N 3.32Å; Y698-R700 PolarHBondContact O-N 3.24Å; R700-L702 VanDerWaalsContact C-N 3.28Å; R700-L702 PolarHBondContact O-N 3.41Å; R700-S703 WeakPolarHBondContact CA-OG 3.33Å; R700-S703 PolarHBondContact O-N 3.38Å; R700-S703 VanDerWaalsContact O-N 3.1Å; R700-S703 PolarHBondContact O-OG 2.93Å; R700-V704 PolarHBondContact O-N 3.36Å; R700-V704 VanDerWaalsContact O-N 3.13Å
701A90.7Very high89.4Confident0 Ų059.9 Ų59.90%030%0.303CS..Hα-helixtrans-59.5-37.3176.600000112.7L666 V667 I697 Y698 V704 S705 A711L666-A701 HydrophobicContact CB-CB 4Å; L666-A701 HydrophobicContact CD1-CB 4.43Å; V667-A701 HydrophobicContact CG2-CB 4.14Å; I697-A701 PolarHBondContact O-N 2.73Å; Y698-A701 PolarHBondContact O-N 3.26Å; A701-V704 PolarHBondContact O-N 3.26Å; A701-S705 PolarHBondContact O-N 2.97Å; A701-S705 PolarHBondContact O-OG 2.98Å; A701-A711 HydrophobicContact CB-CB 3.86Å
702L89.3Confident89.4Confident42 Ų4259.3 Ų59.322%0.2231%0.306CS..Hα-helixtrans-72.6-31.4174.1-69174.2000113.4Y698 R699 R700 V704 S705 A706 N708 A711 I715Y698-L702 PolarHBondContact O-N 2.93Å; R699-L702 PolarHBondContact O-N 3.44Å; R700-L702 VanDerWaalsContact C-N 3.28Å; R700-L702 PolarHBondContact O-N 3.41Å; L702-V704 VanDerWaalsContact C-N 3.29Å; L702-V704 PolarHBondContact O-N 3.29Å; L702-S705 CarbonylContact O-C 3.43Å; L702-S705 VanDerWaalsContact O-C 3.23Å; L702-S705 PolarHBondContact O-N 2.95Å; L702-A706 WeakPolarHBondContact O-CA 3.19Å; L702-A706 PolarHBondContact O-N 2.96Å; L702-A706 VanDerWaalsContact O-N 3.15Å; L702-N708 HydrophobicContact CD2-CB 4.21Å; L702-A711 HydrophobicContact CD2-CB 4.03Å; L702-A711 HydrophobicContact CG-CB 3.93Å; L702-I715 HydrophobicContact CD1-CD1 3.58Å
703S89.3Confident89.4Confident97 Ų9757 Ų5768%0.67829%0.294SS*.Hα-helixtrans-69.9-24.2173.667.80000113.8R699 R700R699-S703 PolarHBondContact O-N 2.65Å; R700-S703 WeakPolarHBondContact CA-OG 3.33Å; R700-S703 PolarHBondContact O-N 3.38Å; R700-S703 VanDerWaalsContact O-N 3.1Å; R700-S703 PolarHBondContact O-OG 2.93Å
704V84.2Confident89.4Confident64 Ų6450.7 Ų50.739%0.38827%0.271SS..Hα-helixtrans-80.5-38.7169.91740000111.3L661 L666 R700 A701 L702L661-V704 HydrophobicContact CB-CG2 3.89Å; L661-V704 HydrophobicContact CD2-CG2 3.93Å; L661-V704 HydrophobicContact CG-CG2 4.37Å; L661-V704 WeakPolarHBondContact O-CG1 3.48Å; L666-V704 HydrophobicContact CD1-CG2 4.39Å; R700-V704 PolarHBondContact O-N 3.36Å; R700-V704 VanDerWaalsContact O-N 3.13Å; A701-V704 PolarHBondContact O-N 3.26Å; L702-V704 VanDerWaalsContact C-N 3.29Å; L702-V704 PolarHBondContact O-N 3.29Å
705S78.4Confident89.3Confident35 Ų3552 Ų5225%0.24528%0.278CS..  trans-150.794.7-170.343.60000109.7S663 A701 L702 E707 N708S663-S705 PolarHBondContact OG-OG 3.41Å; A701-S705 PolarHBondContact O-N 2.97Å; A701-S705 PolarHBondContact O-OG 2.98Å; L702-S705 CarbonylContact O-C 3.43Å; L702-S705 VanDerWaalsContact O-C 3.23Å; L702-S705 PolarHBondContact O-N 2.95Å; S705-E707 PolarHBondContact O-N 3.36Å; S705-E707 VanDerWaalsContact O-N 3.17Å; S705-N708 VanDerWaalsContact O-CB 3.27Å; S705-N708 WeakPolarHBondContact O-CB 3.39Å; S705-N708 PolarHBondContact O-N 2.61Å
706A83Confident89.3Confident86 Ų8650.3 Ų50.371%0.71127%0.269SS*.THydrogen-bonded Turntrans-60-27.3-177.700000112.8L702 N708L702-A706 WeakPolarHBondContact O-CA 3.19Å; L702-A706 PolarHBondContact O-N 2.96Å; L702-A706 VanDerWaalsContact O-N 3.15Å; A706-N708 VanDerWaalsContact C-N 3.27Å; A706-N708 PolarHBondContact O-N 2.89Å
707E74.5Confident89.3Confident135 Ų13547.9 Ų47.963%0.63125%0.252SS*.THydrogen-bonded Turntrans-80.15.6176-54.2-167.6154.200114.2S705 V709S705-E707 PolarHBondContact O-N 3.36Å; S705-E707 VanDerWaalsContact O-N 3.17Å; E707-V709 VanDerWaalsContact C-N 3.34Å; E707-V709 WeakPolarHBondContact O-CG2 3.44Å; E707-V709 PolarHBondContact O-N 3.24Å
708N86.3Confident89.3Confident18 Ų1847.2 Ų47.210%0.09625%0.248CC..  trans-70.288.9-177-172.3-20.1000112.4S663 V667 L702 S705 A706 Y710 A711 C712S663-N708 PolarHBondContact OG-ND2 2.89Å; V667-N708 VanDerWaalsContact CG2-ND2 3.3Å; V667-N708 WeakPolarHBondContact CG2-ND2 3.14Å; L702-N708 HydrophobicContact CD2-CB 4.21Å; S705-N708 VanDerWaalsContact O-CB 3.27Å; S705-N708 WeakPolarHBondContact O-CB 3.39Å; S705-N708 PolarHBondContact O-N 2.61Å; A706-N708 VanDerWaalsContact C-N 3.27Å; A706-N708 PolarHBondContact O-N 2.89Å; N708-Y710 PolarHBondContact O-N 2.94Å; N708-Y710 WeakPolarHBondContact OD1-CB 3.33Å; N708-Y710 PolarHBondContact OD1-N 3.33Å; N708-A711 HydrophobicContact CB-CB 4.09Å; N708-A711 PolarHBondContact O-N 3.15Å; N708-A711 VanDerWaalsContact O-N 3.1Å; N708-A711 PolarHBondContact OD1-N 3.02Å; N708-C712 PolarHBondContact O-N 2.99Å; N708-C712 VanDerWaalsContact O-N 3.08Å
709V88.8Confident89.2Confident20 Ų2049.1 Ų49.112%0.12126%0.258CS..Hα-helixtrans-52.8-35.2177.9-1700000112.7E707 C712 N713 V735 V738 L739E707-V709 VanDerWaalsContact C-N 3.34Å; E707-V709 WeakPolarHBondContact O-CG2 3.44Å; E707-V709 PolarHBondContact O-N 3.24Å; V709-C712 PolarHBondContact O-N 2.81Å; V709-N713 WeakPolarHBondContact O-CB 3.49Å; V709-N713 PolarHBondContact O-N 3.16Å; V709-V735 HydrophobicContact CG1-CB 4.03Å; V709-V735 HydrophobicContact CG1-CG1 3.59Å; V709-V735 HydrophobicContact CG1-CG2 3.94Å; V709-V738 HydrophobicContact CG2-CB 4.19Å; V709-V738 HydrophobicContact CG2-CG1 3.73Å; V709-L739 HydrophobicContact CB-CD1 3.87Å; V709-L739 HydrophobicContact CB-CG 4.37Å; V709-L739 HydrophobicContact CG1-CB 4.44Å; V709-L739 HydrophobicContact CG1-CD1 3.69Å; V709-L739 HydrophobicContact CG1-CG 3.98Å; V709-L739 HydrophobicContact CG2-CD1 4.16Å; V709-L739 HydrophobicContact CG2-CG 4.22Å
710Y90.5Very high89.2Confident113 Ų11341.8 Ų41.844%0.44324%0.236SC..Hα-helixtrans-74.8-36.6-179.7-56.8-81.9000112.4N708 N713 G714 L739 Y742N708-Y710 PolarHBondContact O-N 2.94Å; N708-Y710 WeakPolarHBondContact OD1-CB 3.33Å; N708-Y710 PolarHBondContact OD1-N 3.33Å; Y710-N713 PolarHBondContact O-N 2.92Å; Y710-G714 PolarHBondContact O-N 3.35Å; Y710-L739 HydrophobicContact CE2-CD1 4.44Å; Y710-Y742 HydrophobicContact CD1-CD1 4.39Å; Y710-Y742 AromaticContact CD1-CE1 3.66Å; Y710-Y742 HydrophobicContact CD1-CE1 3.66Å; Y710-Y742 HydrophobicContact CD1-CE2 4.36Å; Y710-Y742 AromaticContact CD1-CZ 3.69Å; Y710-Y742 HydrophobicContact CE1-CD1 4.11Å; Y710-Y742 HydrophobicContact CE1-CD2 4.23Å; Y710-Y742 AromaticContact CE1-CE1 3.75Å; Y710-Y742 HydrophobicContact CE1-CE1 3.75Å; Y710-Y742 AromaticContact CE1-CE2 3.92Å; Y710-Y742 HydrophobicContact CE1-CE2 3.92Å; Y710-Y742 HydrophobicContact CE1-CG 4.38Å; Y710-Y742 AromaticContact CE1-CZ 3.69Å
711A91.9Very high89.1Confident0 Ų041 Ų410%024%0.236CC..Hα-helixtrans-65.4-40.8171.500000111.2V667 Y698 A701 L702 N708 G714 I715V667-A711 HydrophobicContact CG2-CB 4.01Å; Y698-A711 HydrophobicContact CD1-CB 4.26Å; A701-A711 HydrophobicContact CB-CB 3.86Å; L702-A711 HydrophobicContact CD2-CB 4.03Å; L702-A711 HydrophobicContact CG-CB 3.93Å; N708-A711 HydrophobicContact CB-CB 4.09Å; N708-A711 PolarHBondContact O-N 3.15Å; N708-A711 VanDerWaalsContact O-N 3.1Å; N708-A711 PolarHBondContact OD1-N 3.02Å; A711-G714 PolarHBondContact O-N 2.79Å; A711-I715 WeakPolarHBondContact O-CG1 3.49Å; A711-I715 PolarHBondContact O-N 3.09Å
712C92.3Very high89Confident37 Ų3743.6 Ų43.625%0.2525%0.25CS..Hα-helixtrans-60.7-45.6171.3-72.50000112.5N708 V709 G714 I715 G716 I731 V735N708-C712 PolarHBondContact O-N 2.99Å; N708-C712 VanDerWaalsContact O-N 3.08Å; V709-C712 PolarHBondContact O-N 2.81Å; C712-G714 VanDerWaalsContact C-N 3.32Å; C712-G714 PolarHBondContact O-N 3.4Å; C712-I715 PolarHBondContact O-N 3.07Å; C712-G716 PolarHBondContact O-N 3.16Å; C712-I731 HydrophobicContact CB-CG2 4.29Å; C712-I731 WeakPolarHBondContact O-CG2 3.34Å; C712-V735 HydrophobicContact CB-CG2 3.73Å
713N92.6Very high88.9Confident11 Ų1151.3 Ų51.36%0.05928%0.278CS..Hα-helixtrans-57.9-43.7175.6-169.749.5000111.4V709 Y710 G716 C717 F732 Y742 N748V709-N713 WeakPolarHBondContact O-CB 3.49Å; V709-N713 PolarHBondContact O-N 3.16Å; Y710-N713 PolarHBondContact O-N 2.92Å; N713-G716 PolarHBondContact O-N 3.31Å; N713-C717 PolarHBondContact O-N 2.99Å; N713-C717 PolarHBondContact O-SG 2.83Å; N713-F732 WeakPolarHBondContact OD1-CD1 3.5Å; N713-F732 WeakPolarHBondContact OD1-CE1 3.42Å; N713-Y742 HydrophobicContact CB-CE1 4.38Å; N713-Y742 PolarHBondContact ND2-OH 3.01Å; N713-N748 PolarHBondContact OD1-ND2 3.35Å; N713-N748 VanDerWaalsContact OD1-ND2 3.09Å
714G92.5Very high89.1Confident3 Ų352.5 Ų52.53%0.03127%0.269CS..Hα-helixtrans-62.1-39.9175.200000114.1Y710 A711 C712 C717 I718Y710-G714 PolarHBondContact O-N 3.35Å; A711-G714 PolarHBondContact O-N 2.79Å; C712-G714 VanDerWaalsContact C-N 3.32Å; C712-G714 PolarHBondContact O-N 3.4Å; G714-C717 WeakPolarHBondContact O-CB 3.39Å; G714-C717 PolarHBondContact O-N 2.94Å; G714-I718 WeakPolarHBondContact O-CG1 3.43Å; G714-I718 PolarHBondContact O-N 3.25Å
715I93.2Very high89.4Confident28 Ų2851 Ų5114%0.14426%0.259CS..Hα-helixtrans-67.6-41.6173.9-68.6167.1000111.1L695 Y698 L702 A711 C712 C717 I718 L719 I731L695-I715 HydrophobicContact CD2-CG1 4.41Å; Y698-I715 HydrophobicContact CD2-CG1 4.04Å; Y698-I715 HydrophobicContact CG-CG1 4.16Å; L702-I715 HydrophobicContact CD1-CD1 3.58Å; A711-I715 WeakPolarHBondContact O-CG1 3.49Å; A711-I715 PolarHBondContact O-N 3.09Å; C712-I715 PolarHBondContact O-N 3.07Å; I715-C717 VanDerWaalsContact C-N 3.3Å; I715-C717 PolarHBondContact O-N 2.95Å; I715-I718 PolarHBondContact O-N 2.84Å; I715-L719 HydrophobicContact CG2-CD1 3.97Å; I715-L719 HydrophobicContact CG2-CG 4.49Å; I715-L719 PolarHBondContact O-N 3.24Å; I715-I731 HydrophobicContact CG2-CD1 4.44Å
716G93.1Very high90Very high0 Ų054.7 Ų54.70%028%0.276CS..Hα-helixtrans-57.6-41.7173.700000112.3C712 N713 I718 L719 A720 A728C712-G716 PolarHBondContact O-N 3.16Å; N713-G716 PolarHBondContact O-N 3.31Å; G716-I718 PolarHBondContact O-N 2.96Å; G716-L719 PolarHBondContact O-N 3.41Å; G716-A720 WeakPolarHBondContact O-CB 3.38Å; G716-A720 PolarHBondContact O-N 3.48Å; G716-A728 WeakPolarHBondContact O-CB 3.31Å
717C93.1Very high90.5Very high18 Ų1855 Ų5512%0.12226%0.263CS..Hα-helixtrans-60.8-40.8172.6-68.50000112.5L674 N713 G714 I715 A720 H721 N748L674-C717 HydrophobicContact CD1-CB 4.04Å; L674-C717 HydrophobicContact CD2-CB 4Å; N713-C717 PolarHBondContact O-N 2.99Å; N713-C717 PolarHBondContact O-SG 2.83Å; G714-C717 WeakPolarHBondContact O-CB 3.39Å; G714-C717 PolarHBondContact O-N 2.94Å; I715-C717 VanDerWaalsContact C-N 3.3Å; I715-C717 PolarHBondContact O-N 2.95Å; C717-A720 PolarHBondContact O-N 2.86Å; C717-H721 PolarHBondContact O-CD2 3.23Å; C717-H721 PolarHBondContact O-N 3.15Å; C717-H721 VanDerWaalsContact O-N 3.08Å; C717-N748 PolarHBondContact SG-ND2 3.37Å; C717-N748 VanDerWaalsContact SG-ND2 3.4Å
718I92.6Very high91.4Very high1 Ų148.5 Ų48.51%0.00523%0.233CC..Hα-helixtrans-68.4-39.6178.1-66.2174000111.5L674 R691 A694 L695 Y698 G714 I715 G716 H721 L722L674-I718 HydrophobicContact CD1-CD1 4.22Å; L674-I718 HydrophobicContact CD1-CG1 3.49Å; L674-I718 VanDerWaalsContact CD1-CG1 3.49Å; R691-I718 HydrophobicContact CG-CG2 3.74Å; A694-I718 HydrophobicContact CB-CD1 3.61Å; L695-I718 HydrophobicContact CD1-CG2 4.11Å; L695-I718 HydrophobicContact CD2-CB 4.2Å; L695-I718 HydrophobicContact CD2-CD1 3.83Å; L695-I718 HydrophobicContact CD2-CG2 3.88Å; L695-I718 HydrophobicContact CG-CD1 3.84Å; L695-I718 HydrophobicContact CG-CG2 4Å; Y698-I718 HydrophobicContact CD2-CD1 4.03Å; Y698-I718 HydrophobicContact CE2-CD1 3.86Å; G714-I718 WeakPolarHBondContact O-CG1 3.43Å; G714-I718 PolarHBondContact O-N 3.25Å; I715-I718 PolarHBondContact O-N 2.84Å; G716-I718 PolarHBondContact O-N 2.96Å; I718-H721 PolarHBondContact O-N 3.48Å; I718-L722 HydrophobicContact CG2-CD1 4.09Å; I718-L722 VanDerWaalsContact O-CG 3.3Å; I718-L722 WeakPolarHBondContact O-CG 3.46Å; I718-L722 PolarHBondContact O-N 3.47Å; I718-L722 VanDerWaalsContact O-N 3.16Å
719L92.7Very high91.7Very high41 Ų4148.7 Ų48.722%0.21523%0.233CC..Hα-helixtrans-65-39.7175.7-72.2165.8000111.7I715 G716 H721 L722 Y723 Y724 A728 I731I715-L719 HydrophobicContact CG2-CD1 3.97Å; I715-L719 HydrophobicContact CG2-CG 4.49Å; I715-L719 PolarHBondContact O-N 3.24Å; G716-L719 PolarHBondContact O-N 3.41Å; L719-H721 PolarHBondContact O-N 2.9Å; L719-L722 CarbonylContact O-C 3.55Å; L719-L722 WeakPolarHBondContact O-CA 3.33Å; L719-L722 PolarHBondContact O-N 3.13Å; L719-Y723 PolarHBondContact O-N 3.17Å; L719-Y724 HydrophobicContact CD2-CD2 3.96Å; L719-Y724 HydrophobicContact CD2-CG 4.21Å; L719-Y724 PolarHBondContact O-N 3.01Å; L719-A728 HydrophobicContact CB-CB 4.01Å; L719-I731 HydrophobicContact CD1-CD1 3.39Å
720A92.4Very high91.9Very high26 Ų2652.6 Ų52.622%0.21525%0.25CS..Hα-helixtrans-58.9-44.6172.200000112.7G716 C717 L722 Y723 A728 L752G716-A720 WeakPolarHBondContact O-CB 3.38Å; G716-A720 PolarHBondContact O-N 3.48Å; C717-A720 PolarHBondContact O-N 2.86Å; A720-L722 PolarHBondContact O-N 3.43Å; A720-Y723 PolarHBondContact O-N 3.28Å; A720-Y723 VanDerWaalsContact O-N 3.1Å; A720-A728 HydrophobicContact CB-CB 4.21Å; A720-L752 HydrophobicContact CB-CD2 3.72Å
721H88.8Confident91.9Very high85 Ų8549.1 Ų49.139%0.39424%0.239SC..Hα-helixtrans-66.2-16.4174.3-78.2-65.2000114M677 Q678 C717 I718 L719M677-H721 HydrophobicContact CE-CB 3.78Å; M677-H721 WeakPolarHBondContact CE-CD2 3.43Å; Q678-H721 PolarHBondContact NE2-NE2 2.86Å; C717-H721 PolarHBondContact O-CD2 3.23Å; C717-H721 PolarHBondContact O-N 3.15Å; C717-H721 VanDerWaalsContact O-N 3.08Å; I718-H721 PolarHBondContact O-N 3.48Å; L719-H721 PolarHBondContact O-N 2.9Å
722L89.1Confident92Very high56 Ų5649.2 Ų49.229%0.29324%0.239SC..THydrogen-bonded Turntrans-99.98.4174.8-65.5173.4000113.1R691 I718 L719 A720 Y724R691-L722 VanDerWaalsContact NH1-CD1 3.34Å; I718-L722 HydrophobicContact CG2-CD1 4.09Å; I718-L722 VanDerWaalsContact O-CG 3.3Å; I718-L722 WeakPolarHBondContact O-CG 3.46Å; I718-L722 PolarHBondContact O-N 3.47Å; I718-L722 VanDerWaalsContact O-N 3.16Å; L719-L722 CarbonylContact O-C 3.55Å; L719-L722 WeakPolarHBondContact O-CA 3.33Å; L719-L722 PolarHBondContact O-N 3.13Å; A720-L722 PolarHBondContact O-N 3.43Å; L722-Y724 HydrophobicContact CB-CD2 3.56Å; L722-Y724 HydrophobicContact CB-CE2 3.88Å; L722-Y724 HydrophobicContact CD1-CD2 4.4Å; L722-Y724 HydrophobicContact CD1-CE2 4.43Å; L722-Y724 PolarHBondContact O-N 3.26Å
723Y87.9Confident91.9Very high203 Ų20348.5 Ų48.580%0.79624%0.236SC*.THydrogen-bonded Turntrans60.617.5-177-57.3-87.7000115.3L719 A720 V725L719-Y723 PolarHBondContact O-N 3.17Å; A720-Y723 PolarHBondContact O-N 3.28Å; A720-Y723 VanDerWaalsContact O-N 3.1Å; Y723-V725 PolarHBondContact O-N 3.45Å
724Y93.1Very high91.7Very high123 Ų12355.2 Ų55.248%0.48226%0.26SS..  trans-78.568.9164.8-66.4-67.8000109.2L719 L722 E727 A728L719-Y724 HydrophobicContact CD2-CD2 3.96Å; L719-Y724 HydrophobicContact CD2-CG 4.21Å; L719-Y724 PolarHBondContact O-N 3.01Å; L722-Y724 HydrophobicContact CB-CD2 3.56Å; L722-Y724 HydrophobicContact CB-CE2 3.88Å; L722-Y724 HydrophobicContact CD1-CD2 4.4Å; L722-Y724 HydrophobicContact CD1-CE2 4.43Å; L722-Y724 PolarHBondContact O-N 3.26Å; Y724-E727 WeakPolarHBondContact CA-OE2 3.41Å; Y724-E727 WeakPolarHBondContact CB-OE2 3Å; Y724-E727 WeakPolarHBondContact CD1-OE1 3.24Å; Y724-A728 WeakPolarHBondContact O-CB 3.38Å; Y724-A728 PolarHBondContact O-N 3.4Å; Y724-A728 VanDerWaalsContact O-N 3.09Å
725V91Very high91.5Very high32 Ų3255.4 Ų55.419%0.19426%0.261CS..Hα-helixtrans-70.5-39.5-167175.60000112.1Y723 M729 L752 Q756Y723-V725 PolarHBondContact O-N 3.45Å; V725-M729 VanDerWaalsContact O-CB 3.3Å; V725-M729 WeakPolarHBondContact O-CB 3.49Å; V725-M729 PolarHBondContact O-N 2.95Å; V725-L752 HydrophobicContact CG1-CB 4.49Å; V725-L752 HydrophobicContact CG1-CD2 4.26Å; V725-Q756 HydrophobicContact CG1-CG 3.77Å; V725-Q756 VanDerWaalsContact CG1-NE2 3.35Å
726D91.1Very high91.2Very high113 Ų11357 Ų5760%0.60427%0.265SS*.Hα-helixtrans-77.8-37.7-173.6-64.1-34.7000110.9M729 E730 Q756D726-M729 PolarHBondContact O-N 3.42Å; D726-E730 PolarHBondContact O-N 3.22Å; D726-Q756 PolarHBondContact OD1-NE2 3.31Å
727E92.9Very high90.7Very high91 Ų9162.7 Ų62.743%0.42529%0.292SS..Hα-helixtrans-65.9-40.8171.6-53.694.5141.700111.6Y724 E730 I731Y724-E727 WeakPolarHBondContact CA-OE2 3.41Å; Y724-E727 WeakPolarHBondContact CB-OE2 3Å; Y724-E727 WeakPolarHBondContact CD1-OE1 3.24Å; E727-E730 PolarHBondContact O-N 3.06Å; E727-I731 WeakPolarHBondContact O-CG1 3.19Å; E727-I731 PolarHBondContact O-N 2.95Å
728A94.2Very high90Very high0 Ų064 Ų640%030%0.299CS..Hα-helixtrans-63.3-41.6172.700000111.6G716 L719 A720 Y724 I731 F732 L752G716-A728 WeakPolarHBondContact O-CB 3.31Å; L719-A728 HydrophobicContact CB-CB 4.01Å; A720-A728 HydrophobicContact CB-CB 4.21Å; Y724-A728 WeakPolarHBondContact O-CB 3.38Å; Y724-A728 PolarHBondContact O-N 3.4Å; Y724-A728 VanDerWaalsContact O-N 3.09Å; A728-I731 PolarHBondContact O-N 3.2Å; A728-F732 HydrophobicContact CB-CE2 4.2Å; A728-F732 WeakPolarHBondContact O-CD2 3.49Å; A728-F732 WeakPolarHBondContact O-CG 3.48Å; A728-F732 PolarHBondContact O-N 2.91Å; A728-L752 HydrophobicContact CB-CD1 3.94Å
729M91.5Very high89.1Confident22 Ų2265.3 Ų65.311%0.10831%0.306CS..Hα-helixtrans-64.1-39.8176.8-172.66675.300111.9V725 D726 F732 A733 M749 L752 Y753V725-M729 VanDerWaalsContact O-CB 3.3Å; V725-M729 WeakPolarHBondContact O-CB 3.49Å; V725-M729 PolarHBondContact O-N 2.95Å; D726-M729 PolarHBondContact O-N 3.42Å; M729-F732 PolarHBondContact O-N 2.89Å; M729-A733 WeakPolarHBondContact O-CB 3.27Å; M729-A733 PolarHBondContact O-N 2.96Å; M729-M749 HydrophobicContact SD-CB 4.42Å; M729-M749 HydrophobicContact SD-CE 3.47Å; M729-M749 WeakPolarHBondContact SD-CE 3.24Å; M729-M749 HydrophobicContact SD-CG 4.16Å; M729-L752 HydrophobicContact CB-CD1 4.07Å; M729-L752 HydrophobicContact CE-CB 3.56Å; M729-L752 HydrophobicContact CE-CD1 3.96Å; M729-L752 HydrophobicContact CE-CG 4.42Å; M729-L752 HydrophobicContact SD-CD1 4.41Å; M729-Y753 HydrophobicContact CE-CD1 4.16Å; M729-Y753 HydrophobicContact CE-CD2 4.02Å; M729-Y753 HydrophobicContact CE-CE1 3.94Å; M729-Y753 HydrophobicContact CE-CE2 3.74Å; M729-Y753 HydrophobicContact CE-CG 4.19Å; M729-Y753 HydrophobicContact SD-CE2 4.01Å
730E92.4Very high88.4Confident101 Ų10167 Ų6747%0.47232%0.317SS..Hα-helixtrans-64.1-45.4175.2-160.7-162.616500111.6D726 E727 F732 A733 R734D726-E730 PolarHBondContact O-N 3.22Å; E727-E730 PolarHBondContact O-N 3.06Å; E730-F732 PolarHBondContact O-N 3.04Å; E730-A733 WeakPolarHBondContact O-CB 3.36Å; E730-A733 PolarHBondContact O-N 3.38Å; E730-R734 WeakPolarHBondContact O-CG 3.46Å; E730-R734 PolarHBondContact O-N 3.03Å; E730-R734 IonicContact OE1-CZ 4Å; E730-R734 IonicContact OE1-NE 2.78Å; E730-R734 PolarHBondContact OE1-NE 3.04Å; E730-R734 IonicContact OE1-NH2 2.69Å; E730-R734 PolarHBondContact OE1-NH2 2.96Å
731I91.9Very high87.6Confident41 Ų4170.7 Ų70.721%0.2134%0.337CS..Hα-helixtrans-59.4-47.8176.1-70.8163.9000110.5C712 I715 L719 E727 A728 A733 R734 V735C712-I731 HydrophobicContact CB-CG2 4.29Å; C712-I731 WeakPolarHBondContact O-CG2 3.34Å; I715-I731 HydrophobicContact CG2-CD1 4.44Å; L719-I731 HydrophobicContact CD1-CD1 3.39Å; E727-I731 WeakPolarHBondContact O-CG1 3.19Å; E727-I731 PolarHBondContact O-N 2.95Å; A728-I731 PolarHBondContact O-N 3.2Å; I731-A733 VanDerWaalsContact C-N 3.31Å; I731-A733 PolarHBondContact O-N 3.33Å; I731-R734 PolarHBondContact O-N 3.3Å; I731-V735 HydrophobicContact CG2-CG2 4.29Å; I731-V735 VanDerWaalsContact O-CB 3.22Å; I731-V735 WeakPolarHBondContact O-CB 3.36Å; I731-V735 WeakPolarHBondContact O-CG2 3.42Å; I731-V735 PolarHBondContact O-N 3.03Å
732F92.5Very high87.1Confident2 Ų268.2 Ų68.21%0.00933%0.325CS..Hα-helixtrans-65.3-32.2177.1-64.3-45.5000112.8N713 A728 M729 E730 R736 V745 N748 M749 L752N713-F732 WeakPolarHBondContact OD1-CD1 3.5Å; N713-F732 WeakPolarHBondContact OD1-CE1 3.42Å; A728-F732 HydrophobicContact CB-CE2 4.2Å; A728-F732 WeakPolarHBondContact O-CD2 3.49Å; A728-F732 WeakPolarHBondContact O-CG 3.48Å; A728-F732 PolarHBondContact O-N 2.91Å; M729-F732 PolarHBondContact O-N 2.89Å; E730-F732 PolarHBondContact O-N 3.04Å; F732-R736 WeakPolarHBondContact O-CB 3.28Å; F732-R736 PolarHBondContact O-N 2.93Å; F732-V745 HydrophobicContact CB-CG1 4.13Å; F732-V745 HydrophobicContact CD1-CG1 4.49Å; F732-V745 WeakPolarHBondContact O-CG1 3.44Å; F732-N748 HydrophobicContact CD1-CB 4.18Å; F732-N748 HydrophobicContact CD2-CB 4.19Å; F732-N748 HydrophobicContact CE1-CB 3.86Å; F732-N748 WeakPolarHBondContact CE1-ND2 3.36Å; F732-N748 HydrophobicContact CE2-CB 3.86Å; F732-N748 HydrophobicContact CG-CB 4.36Å; F732-N748 HydrophobicContact CZ-CB 3.68Å; F732-M749 HydrophobicContact CB-CG 3.68Å; F732-M749 HydrophobicContact CB-SD 4.4Å; F732-M749 HydrophobicContact CG-CG 4.44Å; F732-L752 HydrophobicContact CD2-CD1 3.73Å; F732-L752 HydrophobicContact CE2-CD1 3.83Å; F732-L752 HydrophobicContact CE2-CG 4.33Å
733A90.4Very high87Confident21 Ų2166.9 Ų66.917%0.17432%0.32CS..Hα-helixtrans-65-51.1174.600000111.9M729 E730 I731 V735 R736 E737 M749M729-A733 WeakPolarHBondContact O-CB 3.27Å; M729-A733 PolarHBondContact O-N 2.96Å; E730-A733 WeakPolarHBondContact O-CB 3.36Å; E730-A733 PolarHBondContact O-N 3.38Å; I731-A733 VanDerWaalsContact C-N 3.31Å; I731-A733 PolarHBondContact O-N 3.33Å; A733-V735 VanDerWaalsContact C-N 3.35Å; A733-V735 PolarHBondContact O-N 3.21Å; A733-R736 WeakPolarHBondContact O-CB 3.48Å; A733-R736 PolarHBondContact O-N 3.41Å; A733-E737 WeakPolarHBondContact O-CG 3.39Å; A733-E737 PolarHBondContact O-N 3.03Å; A733-M749 HydrophobicContact CB-CE 4.21Å
734R88.8Confident87Confident153 Ų15360.5 Ų60.558%0.57730%0.299SS*.Hα-helixtrans-59.2-44.4175.3-65.7175.4-179.2-148.37.7111.4E730 I731 R736 E737 V738E730-R734 WeakPolarHBondContact O-CG 3.46Å; E730-R734 PolarHBondContact O-N 3.03Å; E730-R734 IonicContact OE1-CZ 4Å; E730-R734 IonicContact OE1-NE 2.78Å; E730-R734 PolarHBondContact OE1-NE 3.04Å; E730-R734 IonicContact OE1-NH2 2.69Å; E730-R734 PolarHBondContact OE1-NH2 2.96Å; I731-R734 PolarHBondContact O-N 3.3Å; R734-R736 PolarHBondContact O-N 3.02Å; R734-E737 PolarHBondContact O-N 3.22Å; R734-V738 PolarHBondContact O-N 3.42Å
735V88.5Confident86.8Confident6 Ų654.7 Ų54.74%0.03628%0.276CS..Hα-helixtrans-59.7-41.9176.1156.60000112V709 C712 I731 A733 V738 L739 V745V709-V735 HydrophobicContact CG1-CB 4.03Å; V709-V735 HydrophobicContact CG1-CG1 3.59Å; V709-V735 HydrophobicContact CG1-CG2 3.94Å; C712-V735 HydrophobicContact CB-CG2 3.73Å; I731-V735 HydrophobicContact CG2-CG2 4.29Å; I731-V735 VanDerWaalsContact O-CB 3.22Å; I731-V735 WeakPolarHBondContact O-CB 3.36Å; I731-V735 WeakPolarHBondContact O-CG2 3.42Å; I731-V735 PolarHBondContact O-N 3.03Å; A733-V735 VanDerWaalsContact C-N 3.35Å; A733-V735 PolarHBondContact O-N 3.21Å; V735-V738 PolarHBondContact O-N 3.4Å; V735-L739 PolarHBondContact O-N 3.38Å; V735-V745 HydrophobicContact CG1-CB 4.29Å; V735-V745 HydrophobicContact CG1-CG1 3.79Å; V735-V745 HydrophobicContact CG1-CG2 3.44Å; V735-V745 VanDerWaalsContact CG1-CG2 3.44Å
736R86.6Confident86.9Confident62 Ų6254.2 Ų54.223%0.23427%0.271CS..Hα-helixtrans-68.5-31.3177.2-177.9-165.663.9-172.5-3.8112.9F732 A733 R734 L739 V740 V745 W746F732-R736 WeakPolarHBondContact O-CB 3.28Å; F732-R736 PolarHBondContact O-N 2.93Å; A733-R736 WeakPolarHBondContact O-CB 3.48Å; A733-R736 PolarHBondContact O-N 3.41Å; R734-R736 PolarHBondContact O-N 3.02Å; R736-L739 CarbonylContact O-C 3.51Å; R736-V740 WeakPolarHBondContact O-CA 3.26Å; R736-V740 WeakPolarHBondContact O-CG2 3.48Å; R736-V740 PolarHBondContact O-N 3.24Å; R736-V745 HydrophobicContact CB-CG1 3.92Å; R736-W746 HydrophobicContact CG-CZ2 4.15Å
737E84Confident86.9Confident120 Ų12049.9 Ų49.956%0.56125%0.248SC*.Hα-helixtrans-68.8-36.1177-75.7160.2-165.400111.9A733 R734A733-E737 WeakPolarHBondContact O-CG 3.39Å; A733-E737 PolarHBondContact O-N 3.03Å; R734-E737 PolarHBondContact O-N 3.22Å
738V77Confident86.9Confident44 Ų4447.1 Ų47.127%0.26724%0.236SC..Hα-helixtrans-74.5-50.9172.2-176.60000111.4T473 V709 R734 V735T473-V738 HydrophobicContact CG2-CG1 3.86Å; V709-V738 HydrophobicContact CG2-CB 4.19Å; V709-V738 HydrophobicContact CG2-CG1 3.73Å; R734-V738 PolarHBondContact O-N 3.42Å; V735-V738 PolarHBondContact O-N 3.4Å
739L75.2Confident86.9Confident30 Ų3047.2 Ų47.216%0.15724%0.236CC..  trans-11772.6-175.2-63.5-174.6000112.8L474 V709 Y710 V735 R736 T741 Y742L474-L739 HydrophobicContact CD1-CD2 4.33Å; V709-L739 HydrophobicContact CB-CD1 3.87Å; V709-L739 HydrophobicContact CB-CG 4.37Å; V709-L739 HydrophobicContact CG1-CB 4.44Å; V709-L739 HydrophobicContact CG1-CD1 3.69Å; V709-L739 HydrophobicContact CG1-CG 3.98Å; V709-L739 HydrophobicContact CG2-CD1 4.16Å; V709-L739 HydrophobicContact CG2-CG 4.22Å; Y710-L739 HydrophobicContact CE2-CD1 4.44Å; V735-L739 PolarHBondContact O-N 3.38Å; R736-L739 CarbonylContact O-C 3.51Å; L739-T741 PolarHBondContact O-N 2.91Å; L739-Y742 HydrophobicContact CD1-CD1 4.32Å; L739-Y742 PolarHBondContact O-N 2.85Å
740V77.1Confident86.9Confident75 Ų7546.1 Ų46.146%0.45523%0.231SC..THydrogen-bonded Turntrans-54.5-28.5174.8-177.50000112.6R736 W746R736-V740 WeakPolarHBondContact O-CA 3.26Å; R736-V740 WeakPolarHBondContact O-CG2 3.48Å; R736-V740 PolarHBondContact O-N 3.24Å; V740-W746 PolarHBondContact O-NE1 2.98Å
741T74.9Confident87Confident104 Ų10444.2 Ų44.264%0.63822%0.222SC*.THydrogen-bonded Turntrans-88.6-1.6-178.152.70000115.1L739 P743 F773L739-T741 PolarHBondContact O-N 2.91Å; T741-P743 WeakPolarHBondContact O-CD 3.44Å; T741-F773 VanDerWaalsContact O-CE1 3.26Å; T741-F773 WeakPolarHBondContact O-CE1 3.4Å
742Y79.2Confident87Confident34 Ų3443 Ų4313%0.13322%0.216CC..  trans-89.6115.2-177.9-177.2-150.4000110.7Y710 N713 L739 D744 V745Y710-Y742 HydrophobicContact CD1-CD1 4.39Å; Y710-Y742 AromaticContact CD1-CE1 3.66Å; Y710-Y742 HydrophobicContact CD1-CE1 3.66Å; Y710-Y742 HydrophobicContact CD1-CE2 4.36Å; Y710-Y742 AromaticContact CD1-CZ 3.69Å; Y710-Y742 HydrophobicContact CE1-CD1 4.11Å; Y710-Y742 HydrophobicContact CE1-CD2 4.23Å; Y710-Y742 AromaticContact CE1-CE1 3.75Å; Y710-Y742 HydrophobicContact CE1-CE1 3.75Å; Y710-Y742 AromaticContact CE1-CE2 3.92Å; Y710-Y742 HydrophobicContact CE1-CE2 3.92Å; Y710-Y742 HydrophobicContact CE1-CG 4.38Å; Y710-Y742 AromaticContact CE1-CZ 3.69Å; N713-Y742 HydrophobicContact CB-CE1 4.38Å; N713-Y742 PolarHBondContact ND2-OH 3.01Å; L739-Y742 HydrophobicContact CD1-CD1 4.32Å; L739-Y742 PolarHBondContact O-N 2.85Å; Y742-D744 HydrophobicContact CE1-CB 4.43Å; Y742-D744 HydrophobicContact CE2-CB 3.87Å; Y742-D744 WeakPolarHBondContact CE2-OD2 3.45Å; Y742-D744 PolarHBondContact OH-OD2 2.89Å; Y742-V745 HydrophobicContact CD1-CG2 3.36Å; Y742-V745 HydrophobicContact CE1-CG2 3.87Å; Y742-V745 HydrophobicContact CG-CG2 4.01Å
743P86.3Confident87.1Confident28 Ų2845.1 Ų45.118%0.18222%0.224CC..Hα-helixtrans-71-38.7-166.4-19.932.8000114.8T741 V745 W746 L747 F773 F775T741-P743 WeakPolarHBondContact O-CD 3.44Å; P743-V745 PolarHBondContact O-N 3.15Å; P743-V745 VanDerWaalsContact O-N 3.11Å; P743-W746 WeakPolarHBondContact O-CB 3.41Å; P743-W746 PolarHBondContact O-N 2.96Å; P743-L747 PolarHBondContact O-N 2.87Å; P743-F773 HydrophobicContact CB-CB 4.39Å; P743-F773 HydrophobicContact CB-CD1 4.28Å; P743-F773 HydrophobicContact CB-CD2 3.62Å; P743-F773 HydrophobicContact CB-CE2 3.92Å; P743-F773 HydrophobicContact CB-CG 3.83Å; P743-F773 HydrophobicContact CB-CZ 4.36Å; P743-F773 HydrophobicContact CG-CB 4.27Å; P743-F773 HydrophobicContact CG-CD1 3.8Å; P743-F773 HydrophobicContact CG-CD2 4.06Å; P743-F773 HydrophobicContact CG-CE1 4.13Å; P743-F773 HydrophobicContact CG-CE2 4.39Å; P743-F773 HydrophobicContact CG-CG 3.76Å; P743-F773 HydrophobicContact CG-CZ 4.42Å; P743-F775 HydrophobicContact CB-CE2 3.54Å; P743-F775 HydrophobicContact CB-CZ 3.43Å; P743-F775 VanDerWaalsContact CB-CZ 3.43Å; P743-F775 HydrophobicContact CG-CE2 4.4Å; P743-F775 HydrophobicContact CG-CZ 3.85Å
744D88.3Confident87.1Confident69 Ų6944.4 Ų44.437%0.36922%0.219SC..Hα-helixtrans-56.4-34.6-171.8-51.10.2000111.6Y742 W746 L747 N748Y742-D744 HydrophobicContact CE1-CB 4.43Å; Y742-D744 HydrophobicContact CE2-CB 3.87Å; Y742-D744 WeakPolarHBondContact CE2-OD2 3.45Å; Y742-D744 PolarHBondContact OH-OD2 2.89Å; D744-W746 PolarHBondContact O-N 3Å; D744-L747 PolarHBondContact O-N 3.28Å; D744-N748 WeakPolarHBondContact O-CB 3.43Å; D744-N748 PolarHBondContact O-N 2.89Å
745V89.8Confident87.1Confident0 Ų043.1 Ų43.10%022%0.219CC..Hα-helixtrans-63.5-40.4178.1-167.90000111.7F732 V735 R736 Y742 P743 L747 N748 M749F732-V745 HydrophobicContact CB-CG1 4.13Å; F732-V745 HydrophobicContact CD1-CG1 4.49Å; F732-V745 WeakPolarHBondContact O-CG1 3.44Å; V735-V745 HydrophobicContact CG1-CB 4.29Å; V735-V745 HydrophobicContact CG1-CG1 3.79Å; V735-V745 HydrophobicContact CG1-CG2 3.44Å; V735-V745 VanDerWaalsContact CG1-CG2 3.44Å; R736-V745 HydrophobicContact CB-CG1 3.92Å; Y742-V745 HydrophobicContact CD1-CG2 3.36Å; Y742-V745 HydrophobicContact CE1-CG2 3.87Å; Y742-V745 HydrophobicContact CG-CG2 4.01Å; P743-V745 PolarHBondContact O-N 3.15Å; P743-V745 VanDerWaalsContact O-N 3.11Å; V745-L747 VanDerWaalsContact C-N 3.31Å; V745-L747 PolarHBondContact O-N 3.26Å; V745-N748 PolarHBondContact O-N 3.2Å; V745-M749 WeakPolarHBondContact O-CB 3.41Å; V745-M749 VanDerWaalsContact O-CG 3.31Å; V745-M749 WeakPolarHBondContact O-CG 3.18Å; V745-M749 PolarHBondContact O-N 3.41Å
746W91.3Very high87.2Confident23 Ų2345.8 Ų45.89%0.08723%0.231CC..Hα-helixtrans-67.5-35.2177.8-68.277.6000111.2R736 V740 P743 D744 A750 M765 N768 A769 K772 F773R736-W746 HydrophobicContact CG-CZ2 4.15Å; V740-W746 PolarHBondContact O-NE1 2.98Å; P743-W746 WeakPolarHBondContact O-CB 3.41Å; P743-W746 PolarHBondContact O-N 2.96Å; D744-W746 PolarHBondContact O-N 3Å; W746-A750 VanDerWaalsContact O-CB 3.26Å; W746-A750 WeakPolarHBondContact O-CB 3.13Å; W746-A750 PolarHBondContact O-N 3.47Å; W746-A750 VanDerWaalsContact O-N 3.09Å; W746-M765 HydrophobicContact CE3-SD 3.95Å; W746-M765 HydrophobicContact CZ3-SD 3.92Å; W746-N768 HydrophobicContact CE3-CB 4.16Å; W746-N768 HydrophobicContact CZ3-CB 4.03Å; W746-A769 HydrophobicContact CB-CB 3.95Å; W746-K772 HydrophobicContact CH2-CD 4.49Å; W746-K772 HydrophobicContact CZ2-CD 4.27Å; W746-F773 HydrophobicContact CB-CE2 4.3Å; W746-F773 AromaticContact CD1-CE2 3.55Å; W746-F773 AromaticContact CD1-CZ 3.64Å; W746-F773 AromaticContact CG-CE2 3.87Å; W746-F773 HydrophobicContact CG-CE2 3.87Å; W746-F773 HydrophobicContact CG-CZ 4.36Å; W746-F773 AromaticContact NE1-CZ 3.76Å
747L93Very high87.3Confident22 Ų2252.9 Ų52.912%0.11526%0.258CS..Hα-helixtrans-71.3-46.1174.5-58.8178.4000111.2P743 D744 V745 M749 A750 H751 Y766 A769 F775 V781P743-L747 PolarHBondContact O-N 2.87Å; D744-L747 PolarHBondContact O-N 3.28Å; V745-L747 VanDerWaalsContact C-N 3.31Å; V745-L747 PolarHBondContact O-N 3.26Å; L747-M749 PolarHBondContact O-N 3.27Å; L747-A750 CarbonylContact O-C 3.59Å; L747-A750 WeakPolarHBondContact O-CA 3.23Å; L747-A750 WeakPolarHBondContact O-CB 3.49Å; L747-A750 PolarHBondContact O-N 2.91Å; L747-H751 PolarHBondContact O-CD2 2.99Å; L747-H751 VanDerWaalsContact O-CG 3.23Å; L747-H751 PolarHBondContact O-N 3.34Å; L747-Y766 HydrophobicContact CD2-CD1 4.02Å; L747-Y766 HydrophobicContact CD2-CE1 4.36Å; L747-A769 HydrophobicContact CD2-CB 4.16Å; L747-F775 HydrophobicContact CD1-CE2 4.36Å; L747-V781 HydrophobicContact CD1-CG2 4.06Å; L747-V781 HydrophobicContact CD2-CG1 3.96Å; L747-V781 HydrophobicContact CD2-CG2 4.16Å
748N92.7Very high87.7Confident32 Ų3251.5 Ų51.517%0.17125%0.251CS..Hα-helixtrans-57.3-47.5176.1-74.2-14.7000112.1N713 C717 F732 D744 V745 A750 H751 L752N713-N748 PolarHBondContact OD1-ND2 3.35Å; N713-N748 VanDerWaalsContact OD1-ND2 3.09Å; C717-N748 PolarHBondContact SG-ND2 3.37Å; C717-N748 VanDerWaalsContact SG-ND2 3.4Å; F732-N748 HydrophobicContact CD1-CB 4.18Å; F732-N748 HydrophobicContact CD2-CB 4.19Å; F732-N748 HydrophobicContact CE1-CB 3.86Å; F732-N748 WeakPolarHBondContact CE1-ND2 3.36Å; F732-N748 HydrophobicContact CE2-CB 3.86Å; F732-N748 HydrophobicContact CG-CB 4.36Å; F732-N748 HydrophobicContact CZ-CB 3.68Å; D744-N748 WeakPolarHBondContact O-CB 3.43Å; D744-N748 PolarHBondContact O-N 2.89Å; V745-N748 PolarHBondContact O-N 3.2Å; N748-A750 VanDerWaalsContact C-N 3.35Å; N748-A750 PolarHBondContact O-N 2.77Å; N748-H751 PolarHBondContact O-N 2.96Å; N748-L752 PolarHBondContact O-N 3.41Å
749M92.7Very high88.4Confident2 Ų250.8 Ų50.81%0.0125%0.246CC..Hα-helixtrans-60.8-43.1172.8-68.4-174.8100.100111.5M729 F732 A733 V745 L747 H751 L752 Y753M729-M749 HydrophobicContact SD-CB 4.42Å; M729-M749 HydrophobicContact SD-CE 3.47Å; M729-M749 WeakPolarHBondContact SD-CE 3.24Å; M729-M749 HydrophobicContact SD-CG 4.16Å; F732-M749 HydrophobicContact CB-CG 3.68Å; F732-M749 HydrophobicContact CB-SD 4.4Å; F732-M749 HydrophobicContact CG-CG 4.44Å; A733-M749 HydrophobicContact CB-CE 4.21Å; V745-M749 WeakPolarHBondContact O-CB 3.41Å; V745-M749 VanDerWaalsContact O-CG 3.31Å; V745-M749 WeakPolarHBondContact O-CG 3.18Å; V745-M749 PolarHBondContact O-N 3.41Å; L747-M749 PolarHBondContact O-N 3.27Å; M749-H751 VanDerWaalsContact C-N 3.31Å; M749-H751 PolarHBondContact O-N 2.93Å; M749-L752 PolarHBondContact O-N 2.96Å; M749-Y753 HydrophobicContact CB-CD2 4.45Å; M749-Y753 HydrophobicContact CB-CE2 4.28Å; M749-Y753 WeakPolarHBondContact O-CD2 3.39Å; M749-Y753 PolarHBondContact O-N 3.48Å
750A93Very high89.2Confident0 Ų054.5 Ų54.50%027%0.27CS..Hα-helixtrans-65.4-31.2178.500000113.3W746 L747 N748 A754 A762 M765 Y766W746-A750 VanDerWaalsContact O-CB 3.26Å; W746-A750 WeakPolarHBondContact O-CB 3.13Å; W746-A750 PolarHBondContact O-N 3.47Å; W746-A750 VanDerWaalsContact O-N 3.09Å; L747-A750 CarbonylContact O-C 3.59Å; L747-A750 WeakPolarHBondContact O-CA 3.23Å; L747-A750 WeakPolarHBondContact O-CB 3.49Å; L747-A750 PolarHBondContact O-N 2.91Å; N748-A750 VanDerWaalsContact C-N 3.35Å; N748-A750 PolarHBondContact O-N 2.77Å; A750-A754 WeakPolarHBondContact O-CB 3.46Å; A750-A754 PolarHBondContact O-N 2.93Å; A750-A754 VanDerWaalsContact O-N 3.11Å; A750-A762 WeakPolarHBondContact O-CB 3.39Å; A750-M765 HydrophobicContact CB-CB 3.63Å; A750-Y766 HydrophobicContact CB-CD1 3.66Å; A750-Y766 HydrophobicContact CB-CD2 3.98Å; A750-Y766 HydrophobicContact CB-CE1 3.42Å; A750-Y766 VanDerWaalsContact CB-CE1 3.42Å; A750-Y766 HydrophobicContact CB-CE2 3.73Å; A750-Y766 HydrophobicContact CB-CG 3.91Å; A750-Y766 VanDerWaalsContact CB-CZ 3.44Å; A750-Y766 PolarHBondContact O-OH 3.38Å
751H93.3Very high90Very high61 Ų6152.3 Ų52.328%0.28226%0.26SS..Hα-helixtrans-66.7-48.5170.8-64-38.4000110.9L747 N748 M749 Y753 A754 E755 Y766 Y784L747-H751 PolarHBondContact O-CD2 2.99Å; L747-H751 VanDerWaalsContact O-CG 3.23Å; L747-H751 PolarHBondContact O-N 3.34Å; N748-H751 PolarHBondContact O-N 2.96Å; M749-H751 VanDerWaalsContact C-N 3.31Å; M749-H751 PolarHBondContact O-N 2.93Å; H751-Y753 PolarHBondContact O-N 3.47Å; H751-A754 WeakPolarHBondContact O-CB 3.26Å; H751-A754 PolarHBondContact O-N 3.4Å; H751-A754 VanDerWaalsContact O-N 3.1Å; H751-E755 PolarHBondContact O-N 3.25Å; H751-E755 VanDerWaalsContact O-N 3.09Å; H751-Y766 PolarHBondContact N-OH 2.98Å; H751-Y766 AromaticContact ND1-CZ 3.88Å; H751-Y766 PolarHBondContact ND1-OH 3.44Å; H751-Y784 AromaticContact CE1-CD2 3.73Å; H751-Y784 AromaticContact CE1-CE2 3.95Å; H751-Y784 AromaticContact CE1-CG 3.81Å
752L92.7Very high90.9Very high14 Ų1447.3 Ų47.37%0.07323%0.229CC..Hα-helixtrans-58.9-46.7175.8-68.3-171.4000112.5A720 V725 A728 M729 F732 N748 M749 A754 E755 Q756A720-L752 HydrophobicContact CB-CD2 3.72Å; V725-L752 HydrophobicContact CG1-CB 4.49Å; V725-L752 HydrophobicContact CG1-CD2 4.26Å; A728-L752 HydrophobicContact CB-CD1 3.94Å; M729-L752 HydrophobicContact CB-CD1 4.07Å; M729-L752 HydrophobicContact CE-CB 3.56Å; M729-L752 HydrophobicContact CE-CD1 3.96Å; M729-L752 HydrophobicContact CE-CG 4.42Å; M729-L752 HydrophobicContact SD-CD1 4.41Å; F732-L752 HydrophobicContact CD2-CD1 3.73Å; F732-L752 HydrophobicContact CE2-CD1 3.83Å; F732-L752 HydrophobicContact CE2-CG 4.33Å; N748-L752 PolarHBondContact O-N 3.41Å; M749-L752 PolarHBondContact O-N 2.96Å; L752-A754 PolarHBondContact O-N 3.35Å; L752-E755 PolarHBondContact O-N 3.44Å; L752-Q756 PolarHBondContact O-N 3.36Å
753Y93.4Very high91.6Very high47 Ų4745.9 Ų45.918%0.18422%0.224CC..Hα-helixtrans-60.7-33.5175.5-75.5-63.3000112.6M729 M749 H751 R757 Q758 A761 M765M729-Y753 HydrophobicContact CE-CD1 4.16Å; M729-Y753 HydrophobicContact CE-CD2 4.02Å; M729-Y753 HydrophobicContact CE-CE1 3.94Å; M729-Y753 HydrophobicContact CE-CE2 3.74Å; M729-Y753 HydrophobicContact CE-CG 4.19Å; M729-Y753 HydrophobicContact SD-CE2 4.01Å; M749-Y753 HydrophobicContact CB-CD2 4.45Å; M749-Y753 HydrophobicContact CB-CE2 4.28Å; M749-Y753 WeakPolarHBondContact O-CD2 3.39Å; M749-Y753 PolarHBondContact O-N 3.48Å; H751-Y753 PolarHBondContact O-N 3.47Å; Y753-R757 PolarHBondContact O-N 2.95Å; Y753-Q758 HydrophobicContact CD1-CB 4.11Å; Y753-Q758 CarbonylContact O-C 3.53Å; Y753-Q758 WeakPolarHBondContact O-CA 3.41Å; Y753-Q758 PolarHBondContact O-N 2.81Å; Y753-A761 HydrophobicContact CD1-CB 3.84Å; Y753-A761 HydrophobicContact CE1-CB 4.29Å; Y753-A761 HydrophobicContact CG-CB 4Å; Y753-M765 HydrophobicContact CD2-CG 4.09Å; Y753-M765 HydrophobicContact CE2-CE 3.78Å; Y753-M765 HydrophobicContact CE2-CG 4.25Å
754A91.3Very high91.9Very high7 Ų749.3 Ų49.36%0.05824%0.24CC..Hα-helixtrans-70.6-35.1178.100000112.4A750 H751 L752 R757 A762 R791A750-A754 WeakPolarHBondContact O-CB 3.46Å; A750-A754 PolarHBondContact O-N 2.93Å; A750-A754 VanDerWaalsContact O-N 3.11Å; H751-A754 WeakPolarHBondContact O-CB 3.26Å; H751-A754 PolarHBondContact O-N 3.4Å; H751-A754 VanDerWaalsContact O-N 3.1Å; L752-A754 PolarHBondContact O-N 3.35Å; A754-R757 PolarHBondContact O-N 3.24Å; A754-A762 HydrophobicContact CB-CB 3.95Å; A754-R791 VanDerWaalsContact C-NH1 3.28Å; A754-R791 PolarHBondContact O-NH1 3.25Å
755E88.3Confident92.1Very high126 Ų12647 Ų4759%0.58923%0.227SC*.Hα-helixtrans-81.6-32.3176.8-63.3-49.5123.700112.8H751 L752 R757 R791H751-E755 PolarHBondContact O-N 3.25Å; H751-E755 VanDerWaalsContact O-N 3.09Å; L752-E755 PolarHBondContact O-N 3.44Å; E755-R757 PolarHBondContact O-N 3.33Å; E755-R791 IonicContact OE1-CZ 2.74Å; E755-R791 VanDerWaalsContact OE1-CZ 3.22Å; E755-R791 IonicContact OE1-NH1 2.66Å; E755-R791 PolarHBondContact OE1-NH1 3.04Å; E755-R791 IonicContact OE1-NH2 2.62Å; E755-R791 PolarHBondContact OE1-NH2 3.18Å; E755-R791 IonicContact OE2-NH1 3.71Å; E755-R791 IonicContact OE2-NH2 3.48Å
756Q91Very high92.3Very high61 Ų6147.3 Ų47.329%0.28523%0.229SC..THydrogen-bonded Turntrans-642.4163.1-71.5-170.3-22.900113.4V725 D726 L752 Q758V725-Q756 HydrophobicContact CG1-CG 3.77Å; V725-Q756 VanDerWaalsContact CG1-NE2 3.35Å; D726-Q756 PolarHBondContact OD1-NE2 3.31Å; L752-Q756 PolarHBondContact O-N 3.36Å; Q756-Q758 HydrophobicContact CB-CG 4.09Å; Q756-Q758 PolarHBondContact O-N 3.35Å; Q756-Q758 VanDerWaalsContact O-N 3.1Å; Q756-Q758 VanDerWaalsContact OE1-NE2 3.13Å
757R88.9Confident92.3Very high212 Ų21248.6 Ų48.680%0.824%0.236SC*.THydrogen-bonded Turntrans60.113-175.9-50.5-177.7-179.5-170.10.5114.4Y753 A754 E755 N759Y753-R757 PolarHBondContact O-N 2.95Å; A754-R757 PolarHBondContact O-N 3.24Å; E755-R757 PolarHBondContact O-N 3.33Å; R757-N759 PolarHBondContact O-N 2.99Å; R757-N759 PolarHBondContact O-ND2 3.36Å
758Q92.6Very high92.2Very high90 Ų9049.9 Ų49.942%0.42124%0.243SC..  trans-78.557.1174.7-59.1-169.723.300110.5Y753 Q756 T760 A761 A762Y753-Q758 HydrophobicContact CD1-CB 4.11Å; Y753-Q758 CarbonylContact O-C 3.53Å; Y753-Q758 WeakPolarHBondContact O-CA 3.41Å; Y753-Q758 PolarHBondContact O-N 2.81Å; Q756-Q758 HydrophobicContact CB-CG 4.09Å; Q756-Q758 PolarHBondContact O-N 3.35Å; Q756-Q758 VanDerWaalsContact O-N 3.1Å; Q756-Q758 VanDerWaalsContact OE1-NE2 3.13Å; Q758-T760 PolarHBondContact O-N 3.14Å; Q758-T760 VanDerWaalsContact O-N 3.08Å; Q758-A761 HydrophobicContact CB-CB 4.2Å; Q758-A761 WeakPolarHBondContact O-CB 3.37Å; Q758-A761 PolarHBondContact O-N 3.33Å; Q758-A762 PolarHBondContact O-N 3.42Å
759N92Very high92.1Very high29 Ų2948.4 Ų48.416%0.15524%0.235CC..Hα-helixtrans-60.2-28.7-166.8-55.6-46000113.1R757 V763 R791 A792R757-N759 PolarHBondContact O-N 2.99Å; R757-N759 PolarHBondContact O-ND2 3.36Å; N759-V763 WeakPolarHBondContact O-CB 3.23Å; N759-V763 VanDerWaalsContact O-CG2 3.27Å; N759-V763 WeakPolarHBondContact O-CG2 3.47Å; N759-V763 PolarHBondContact O-N 3.23Å; N759-R791 HydrophobicContact CB-CB 4.21Å; N759-R791 PolarHBondContact ND2-O 3.05Å; N759-R791 WeakPolarHBondContact OD1-CB 3.39Å; N759-A792 HydrophobicContact CB-CB 3.79Å
760T92.2Very high92Very high109 Ų10949.2 Ų49.267%0.66924%0.239SC*.Hα-helixtrans-68.4-40.8174.146.70000112.9Q758 L764Q758-T760 PolarHBondContact O-N 3.14Å; Q758-T760 VanDerWaalsContact O-N 3.08Å; T760-L764 PolarHBondContact O-N 3.01Å; T760-L764 VanDerWaalsContact O-N 3.16Å
761A92.6Very high91.8Very high28 Ų2856 Ų5623%0.23127%0.269CS..Hα-helixtrans-69.3-41.317400000111.1Y753 Q758 L764 M765Y753-A761 HydrophobicContact CD1-CB 3.84Å; Y753-A761 HydrophobicContact CE1-CB 4.29Å; Y753-A761 HydrophobicContact CG-CB 4Å; Q758-A761 HydrophobicContact CB-CB 4.2Å; Q758-A761 WeakPolarHBondContact O-CB 3.37Å; Q758-A761 PolarHBondContact O-N 3.33Å; A761-L764 PolarHBondContact O-N 2.95Å; A761-M765 WeakPolarHBondContact O-CG 3.46Å; A761-M765 PolarHBondContact O-N 3.47Å
762A94.5Very high91.4Very high0 Ų058.1 Ų58.10%028%0.277CS..Hα-helixtrans-58.2-51.4174.800000111.9A750 A754 Q758 L764 M765 Y766A750-A762 WeakPolarHBondContact O-CB 3.39Å; A754-A762 HydrophobicContact CB-CB 3.95Å; Q758-A762 PolarHBondContact O-N 3.42Å; A762-L764 VanDerWaalsContact C-N 3.32Å; A762-L764 PolarHBondContact O-N 3.23Å; A762-M765 PolarHBondContact O-N 2.84Å; A762-M765 VanDerWaalsContact O-N 3.14Å; A762-Y766 HydrophobicContact CB-CE2 4.09Å; A762-Y766 WeakPolarHBondContact O-CD2 3.38Å; A762-Y766 PolarHBondContact O-N 3.42Å
763V94.1Very high91Very high4 Ų459.7 Ų59.72%0.02428%0.283CS..Hα-helixtrans-54.1-46.9174.8163.80000111.4N759 M765 Y766 E767 L785 A788 Y789 A792N759-V763 WeakPolarHBondContact O-CB 3.23Å; N759-V763 VanDerWaalsContact O-CG2 3.27Å; N759-V763 WeakPolarHBondContact O-CG2 3.47Å; N759-V763 PolarHBondContact O-N 3.23Å; V763-M765 VanDerWaalsContact C-N 3.34Å; V763-M765 PolarHBondContact O-N 3.22Å; V763-Y766 PolarHBondContact O-N 3.31Å; V763-E767 HydrophobicContact CG1-CG 4.49Å; V763-E767 WeakPolarHBondContact O-CB 3.25Å; V763-E767 WeakPolarHBondContact O-CG 3.46Å; V763-E767 PolarHBondContact O-N 2.95Å; V763-L785 HydrophobicContact CG1-CD1 4.25Å; V763-L785 HydrophobicContact CG2-CD1 4.49Å; V763-A788 HydrophobicContact CG2-CB 3.72Å; V763-Y789 HydrophobicContact CG1-CD1 3.93Å; V763-Y789 HydrophobicContact CG1-CE1 3.42Å; V763-Y789 VanDerWaalsContact CG1-CE1 3.42Å; V763-Y789 HydrophobicContact CG2-CD1 3.83Å; V763-Y789 HydrophobicContact CG2-CE1 4.21Å; V763-Y789 HydrophobicContact CG2-CG 4.3Å; V763-A792 HydrophobicContact CG2-CB 4.3Å
764L93.5Very high90.5Very high99 Ų9960.2 Ų60.252%0.51830%0.303SS..Hα-helixtrans-61-41.2178.4-169103.3000112T760 A761 A762 N768T760-L764 PolarHBondContact O-N 3.01Å; T760-L764 VanDerWaalsContact O-N 3.16Å; A761-L764 PolarHBondContact O-N 2.95Å; A762-L764 VanDerWaalsContact C-N 3.32Å; A762-L764 PolarHBondContact O-N 3.23Å; L764-N768 VanDerWaalsContact O-CB 3.29Å; L764-N768 WeakPolarHBondContact O-CB 3.3Å; L764-N768 PolarHBondContact O-N 3.31Å; L764-N768 PolarHBondContact O-ND2 3.3Å; L764-N768 VanDerWaalsContact O-ND2 3.09Å
765M91.8Very high89.9Confident21 Ų2162.1 Ų62.110%0.10331%0.31CS..Hα-helixtrans-67.4-44177.7-69.7-58.7-161.600112.4W746 A750 Y753 A761 A762 V763 N768 A769W746-M765 HydrophobicContact CE3-SD 3.95Å; W746-M765 HydrophobicContact CZ3-SD 3.92Å; A750-M765 HydrophobicContact CB-CB 3.63Å; Y753-M765 HydrophobicContact CD2-CG 4.09Å; Y753-M765 HydrophobicContact CE2-CE 3.78Å; Y753-M765 HydrophobicContact CE2-CG 4.25Å; A761-M765 WeakPolarHBondContact O-CG 3.46Å; A761-M765 PolarHBondContact O-N 3.47Å; A762-M765 PolarHBondContact O-N 2.84Å; A762-M765 VanDerWaalsContact O-N 3.14Å; V763-M765 VanDerWaalsContact C-N 3.34Å; V763-M765 PolarHBondContact O-N 3.22Å; M765-N768 PolarHBondContact O-N 3.28Å; M765-A769 WeakPolarHBondContact O-CB 3.29Å; M765-A769 PolarHBondContact O-N 3.02Å
766Y94Very high89.6Confident6 Ų661.4 Ų61.42%0.02431%0.307CS..Hα-helixtrans-62.9-44.1174.5-66.1-63.1000111.9L747 A750 H751 A762 V763 N768 A769 I770 Y784 A788L747-Y766 HydrophobicContact CD2-CD1 4.02Å; L747-Y766 HydrophobicContact CD2-CE1 4.36Å; A750-Y766 HydrophobicContact CB-CD1 3.66Å; A750-Y766 HydrophobicContact CB-CD2 3.98Å; A750-Y766 HydrophobicContact CB-CE1 3.42Å; A750-Y766 VanDerWaalsContact CB-CE1 3.42Å; A750-Y766 HydrophobicContact CB-CE2 3.73Å; A750-Y766 HydrophobicContact CB-CG 3.91Å; A750-Y766 VanDerWaalsContact CB-CZ 3.44Å; A750-Y766 PolarHBondContact O-OH 3.38Å; H751-Y766 PolarHBondContact N-OH 2.98Å; H751-Y766 AromaticContact ND1-CZ 3.88Å; H751-Y766 PolarHBondContact ND1-OH 3.44Å; A762-Y766 HydrophobicContact CB-CE2 4.09Å; A762-Y766 WeakPolarHBondContact O-CD2 3.38Å; A762-Y766 PolarHBondContact O-N 3.42Å; V763-Y766 PolarHBondContact O-N 3.31Å; Y766-N768 VanDerWaalsContact C-N 3.33Å; Y766-N768 PolarHBondContact O-N 2.92Å; Y766-A769 PolarHBondContact O-N 3.42Å; Y766-I770 WeakPolarHBondContact O-CG1 3.45Å; Y766-I770 PolarHBondContact O-N 3.23Å; Y766-Y784 HydrophobicContact CE1-CG 4.44Å; Y766-A788 HydrophobicContact CD2-CB 3.84Å; Y766-A788 HydrophobicContact CE2-CB 3.72Å
767E91.7Very high89.3Confident50 Ų5063.6 Ų63.623%0.23432%0.32CS..Hα-helixtrans-57.9-45174-82.5-168.3-125.700111.9V763 I770 K771 L785 Y789V763-E767 HydrophobicContact CG1-CG 4.49Å; V763-E767 WeakPolarHBondContact O-CB 3.25Å; V763-E767 WeakPolarHBondContact O-CG 3.46Å; V763-E767 PolarHBondContact O-N 2.95Å; E767-I770 PolarHBondContact O-N 3.46Å; E767-K771 WeakPolarHBondContact O-CB 3.39Å; E767-K771 WeakPolarHBondContact O-CD 3.39Å; E767-K771 VanDerWaalsContact O-CG 3.23Å; E767-K771 WeakPolarHBondContact O-CG 3.47Å; E767-K771 PolarHBondContact O-N 3.39Å; E767-K771 IonicContact OE2-NZ 3.18Å; E767-K771 PolarHBondContact OE2-NZ 3.25Å; E767-L785 HydrophobicContact CG-CD1 4.37Å; E767-Y789 PolarHBondContact OE1-OH 3.3Å
768N89.6Confident89.3Confident50 Ų5056.2 Ų56.227%0.26730%0.297SS..Hα-helixtrans-66.7-37.9179.2-74.8-28000112.2W746 L764 M765 Y766 K772W746-N768 HydrophobicContact CE3-CB 4.16Å; W746-N768 HydrophobicContact CZ3-CB 4.03Å; L764-N768 VanDerWaalsContact O-CB 3.29Å; L764-N768 WeakPolarHBondContact O-CB 3.3Å; L764-N768 PolarHBondContact O-N 3.31Å; L764-N768 PolarHBondContact O-ND2 3.3Å; L764-N768 VanDerWaalsContact O-ND2 3.09Å; M765-N768 PolarHBondContact O-N 3.28Å; Y766-N768 VanDerWaalsContact C-N 3.33Å; Y766-N768 PolarHBondContact O-N 2.92Å; N768-K772 VanDerWaalsContact O-CB 3.29Å; N768-K772 WeakPolarHBondContact O-CB 3.43Å; N768-K772 VanDerWaalsContact O-CG 3.29Å; N768-K772 WeakPolarHBondContact O-CG 3.41Å; N768-K772 PolarHBondContact O-N 3.06Å
769A90.2Very high89.2Confident0 Ų053.5 Ų53.50%029%0.286CS..Hα-helixtrans-61.9-48.3173.600000111.1W746 L747 M765 Y766 K771 K772 F773W746-A769 HydrophobicContact CB-CB 3.95Å; L747-A769 HydrophobicContact CD2-CB 4.16Å; M765-A769 WeakPolarHBondContact O-CB 3.29Å; M765-A769 PolarHBondContact O-N 3.02Å; Y766-A769 PolarHBondContact O-N 3.42Å; A769-K771 PolarHBondContact O-N 3.02Å; A769-K772 PolarHBondContact O-N 3.43Å; A769-F773 HydrophobicContact CB-CD2 4.17Å; A769-F773 HydrophobicContact CB-CE2 4.4Å; A769-F773 WeakPolarHBondContact O-CB 3.32Å; A769-F773 WeakPolarHBondContact O-CD2 3.24Å; A769-F773 PolarHBondContact O-N 2.97Å
770I90.6Very high89.1Confident20 Ų2057.7 Ų57.710%0.10331%0.305CS..Hα-helixtrans-58.1-49.1177.3-68.6164000111.2Y766 E767 K772 G774 F775 E776 V781 L782 L785Y766-I770 WeakPolarHBondContact O-CG1 3.45Å; Y766-I770 PolarHBondContact O-N 3.23Å; E767-I770 PolarHBondContact O-N 3.46Å; I770-K772 VanDerWaalsContact C-N 3.33Å; I770-K772 PolarHBondContact O-N 2.95Å; I770-G774 PolarHBondContact O-N 3.3Å; I770-G774 VanDerWaalsContact O-N 3.11Å; I770-F775 HydrophobicContact CG1-CB 4.19Å; I770-F775 PolarHBondContact O-N 2.97Å; I770-E776 HydrophobicContact CG2-CG 3.87Å; I770-V781 HydrophobicContact CD1-CG1 4.03Å; I770-V781 HydrophobicContact CG1-CG1 3.73Å; I770-L782 HydrophobicContact CD1-CD2 4.45Å; I770-L785 HydrophobicContact CD1-CD2 3.65Å
771K89.4Confident89.1Confident143 Ų14352.6 Ų52.662%0.62227%0.274SS*.Hα-helixtrans-65.4-30.1-179.3-71.2162.5-178.4165.20113.7E767 A769E767-K771 WeakPolarHBondContact O-CB 3.39Å; E767-K771 WeakPolarHBondContact O-CD 3.39Å; E767-K771 VanDerWaalsContact O-CG 3.23Å; E767-K771 WeakPolarHBondContact O-CG 3.47Å; E767-K771 PolarHBondContact O-N 3.39Å; E767-K771 IonicContact OE2-NZ 3.18Å; E767-K771 PolarHBondContact OE2-NZ 3.25Å; A769-K771 PolarHBondContact O-N 3.02Å
772K84.8Confident89.1Confident105 Ų10551.7 Ų51.746%0.45727%0.265SS..Hα-helixtrans-87.3-34.7-179.4-77.1-177.4172.2-168.70114.3W746 N768 A769 I770W746-K772 HydrophobicContact CH2-CD 4.49Å; W746-K772 HydrophobicContact CZ2-CD 4.27Å; N768-K772 VanDerWaalsContact O-CB 3.29Å; N768-K772 WeakPolarHBondContact O-CB 3.43Å; N768-K772 VanDerWaalsContact O-CG 3.29Å; N768-K772 WeakPolarHBondContact O-CG 3.41Å; N768-K772 PolarHBondContact O-N 3.06Å; A769-K772 PolarHBondContact O-N 3.43Å; I770-K772 VanDerWaalsContact C-N 3.33Å; I770-K772 PolarHBondContact O-N 2.95Å
773F84.4Confident89Confident47 Ų4752.1 Ų52.121%0.20627%0.267CS..Hα-helixtrans-112.14.1-168.6-53.4-57000113.9T741 P743 W746 A769 F775T741-F773 VanDerWaalsContact O-CE1 3.26Å; T741-F773 WeakPolarHBondContact O-CE1 3.4Å; P743-F773 HydrophobicContact CB-CB 4.39Å; P743-F773 HydrophobicContact CB-CD1 4.28Å; P743-F773 HydrophobicContact CB-CD2 3.62Å; P743-F773 HydrophobicContact CB-CE2 3.92Å; P743-F773 HydrophobicContact CB-CG 3.83Å; P743-F773 HydrophobicContact CB-CZ 4.36Å; P743-F773 HydrophobicContact CG-CB 4.27Å; P743-F773 HydrophobicContact CG-CD1 3.8Å; P743-F773 HydrophobicContact CG-CD2 4.06Å; P743-F773 HydrophobicContact CG-CE1 4.13Å; P743-F773 HydrophobicContact CG-CE2 4.39Å; P743-F773 HydrophobicContact CG-CG 3.76Å; P743-F773 HydrophobicContact CG-CZ 4.42Å; W746-F773 HydrophobicContact CB-CE2 4.3Å; W746-F773 AromaticContact CD1-CE2 3.55Å; W746-F773 AromaticContact CD1-CZ 3.64Å; W746-F773 AromaticContact CG-CE2 3.87Å; W746-F773 HydrophobicContact CG-CE2 3.87Å; W746-F773 HydrophobicContact CG-CZ 4.36Å; W746-F773 AromaticContact NE1-CZ 3.76Å; A769-F773 HydrophobicContact CB-CD2 4.17Å; A769-F773 HydrophobicContact CB-CE2 4.4Å; A769-F773 WeakPolarHBondContact O-CB 3.32Å; A769-F773 WeakPolarHBondContact O-CD2 3.24Å; A769-F773 PolarHBondContact O-N 2.97Å; F773-F775 HydrophobicContact CB-CD1 4.11Å; F773-F775 HydrophobicContact CB-CD2 4.05Å; F773-F775 HydrophobicContact CB-CE1 3.98Å; F773-F775 HydrophobicContact CB-CE2 3.93Å; F773-F775 HydrophobicContact CB-CG 4.15Å; F773-F775 HydrophobicContact CB-CZ 3.9Å; F773-F775 HydrophobicContact CD2-CE2 4.24Å; F773-F775 HydrophobicContact CG-CE2 4.43Å; F773-F775 PolarHBondContact O-N 3.47Å
774G82.6Confident89Confident58 Ų5855.6 Ų55.660%0.59828%0.281SS*.THydrogen-bonded Turntrans7116.6178.500000113.9I770 E776I770-G774 PolarHBondContact O-N 3.3Å; I770-G774 VanDerWaalsContact O-N 3.11Å; G774-E776 PolarHBondContact O-N 3.46Å
775F79.9Confident89Confident46 Ų4651.3 Ų51.320%0.20226%0.258CS..G310 helixtrans-69.722.3-179.9-61.8-24.7000114.3P743 L747 I770 F773 N777 N778 V781P743-F775 HydrophobicContact CB-CE2 3.54Å; P743-F775 HydrophobicContact CB-CZ 3.43Å; P743-F775 VanDerWaalsContact CB-CZ 3.43Å; P743-F775 HydrophobicContact CG-CE2 4.4Å; P743-F775 HydrophobicContact CG-CZ 3.85Å; L747-F775 HydrophobicContact CD1-CE2 4.36Å; I770-F775 HydrophobicContact CG1-CB 4.19Å; I770-F775 PolarHBondContact O-N 2.97Å; F773-F775 HydrophobicContact CB-CD1 4.11Å; F773-F775 HydrophobicContact CB-CD2 4.05Å; F773-F775 HydrophobicContact CB-CE1 3.98Å; F773-F775 HydrophobicContact CB-CE2 3.93Å; F773-F775 HydrophobicContact CB-CG 4.15Å; F773-F775 HydrophobicContact CB-CZ 3.9Å; F773-F775 HydrophobicContact CD2-CE2 4.24Å; F773-F775 HydrophobicContact CG-CE2 4.43Å; F773-F775 PolarHBondContact O-N 3.47Å; F775-N777 PolarHBondContact O-N 3.11Å; F775-N777 VanDerWaalsContact O-N 3.11Å; F775-N778 HydrophobicContact CB-CB 3.94Å; F775-N778 HydrophobicContact CG-CB 4.41Å; F775-N778 PolarHBondContact O-N 3Å; F775-V781 HydrophobicContact CD2-CG2 4.1Å
776E81.3Confident89.1Confident112 Ų11250.4 Ų50.452%0.52325%0.254SS..G310 helixtrans-55.9-28.3179-80-143.9-150.300113.8I770 G774 K804I770-E776 HydrophobicContact CG2-CG 3.87Å; G774-E776 PolarHBondContact O-N 3.46Å; E776-K804 VanDerWaalsContact O-CE 3.31Å; E776-K804 WeakPolarHBondContact O-CE 3.32Å; E776-K804 PolarHBondContact O-NZ 2.94Å; E776-K804 IonicContact OE2-NZ 2.95Å; E776-K804 PolarHBondContact OE2-NZ 2.99Å; E776-K804 VanDerWaalsContact OE2-NZ 3.11Å
777N84.5Confident89Confident106 Ų10656.5 Ų56.557%0.56728%0.277SS*.G310 helixtrans-112.69.4179.9-61.8-18.3000112.9F775 V779 L808F775-N777 PolarHBondContact O-N 3.11Å; F775-N777 VanDerWaalsContact O-N 3.11Å; N777-V779 PolarHBondContact O-N 2.96Å; N777-L808 HydrophobicContact CB-CD1 4.17Å; N777-L808 HydrophobicContact CB-CD2 4.11Å
778N89.3Confident89.1Confident57 Ų5754.2 Ų54.231%0.30527%0.267SS..  trans-82.2108.1176.2-174.6-23.3000110.1F775 E780 V781 L782F775-N778 HydrophobicContact CB-CB 3.94Å; F775-N778 HydrophobicContact CG-CB 4.41Å; F775-N778 PolarHBondContact O-N 3Å; N778-E780 PolarHBondContact O-N 3.4Å; N778-E780 PolarHBondContact OD1-N 3.41Å; N778-E780 VanDerWaalsContact OD1-N 3.14Å; N778-V781 HydrophobicContact CB-CB 4.3Å; N778-V781 HydrophobicContact CB-CG2 4.2Å; N778-V781 PolarHBondContact O-N 2.88Å; N778-L782 VanDerWaalsContact O-CG 3.3Å; N778-L782 WeakPolarHBondContact O-CG 3.48Å; N778-L782 PolarHBondContact O-N 2.89Å
779V90.7Very high89.3Confident34 Ų3453 Ų5321%0.20626%0.258CS..Hα-helixtrans-56.6-43.6-176.1178.50000112.7N777 L782 V783 L808 A809 I815N777-V779 PolarHBondContact O-N 2.96Å; V779-L782 PolarHBondContact O-N 3.43Å; V779-V783 WeakPolarHBondContact O-CG2 3.3Å; V779-V783 PolarHBondContact O-N 2.85Å; V779-L808 HydrophobicContact CG2-CB 3.9Å; V779-A809 HydrophobicContact CG1-CB 4.14Å; V779-A809 HydrophobicContact CG2-CB 4.1Å; V779-I815 HydrophobicContact CG1-CD1 3.49Å; V779-I815 VanDerWaalsContact CG1-CD1 3.49Å; V779-I815 HydrophobicContact CG1-CG1 4.43Å
780E89Confident89.5Confident117 Ų11756 Ų5655%0.54727%0.272SS..Hα-helixtrans-64.2-45.8-177.9-61.8-176.1177.700111.2N778 L782 V783 Y784N778-E780 PolarHBondContact O-N 3.4Å; N778-E780 PolarHBondContact OD1-N 3.41Å; N778-E780 VanDerWaalsContact OD1-N 3.14Å; E780-L782 VanDerWaalsContact C-N 3.34Å; E780-L782 PolarHBondContact O-N 2.92Å; E780-V783 PolarHBondContact O-N 2.97Å; E780-V783 VanDerWaalsContact O-N 3.15Å; E780-Y784 HydrophobicContact CB-CE2 4.15Å; E780-Y784 WeakPolarHBondContact O-CD2 3.49Å; E780-Y784 PolarHBondContact O-N 3.41Å
781V91.7Very high89.5Confident2 Ų260.6 Ų60.61%0.01229%0.288CS..Hα-helixtrans-66.4-36.7179.1-176.30000111.5L747 I770 F775 N778 Y784 L785L747-V781 HydrophobicContact CD1-CG2 4.06Å; L747-V781 HydrophobicContact CD2-CG1 3.96Å; L747-V781 HydrophobicContact CD2-CG2 4.16Å; I770-V781 HydrophobicContact CD1-CG1 4.03Å; I770-V781 HydrophobicContact CG1-CG1 3.73Å; F775-V781 HydrophobicContact CD2-CG2 4.1Å; N778-V781 HydrophobicContact CB-CB 4.3Å; N778-V781 HydrophobicContact CB-CG2 4.2Å; N778-V781 PolarHBondContact O-N 2.88Å; V781-Y784 PolarHBondContact O-N 3.18Å; V781-L785 WeakPolarHBondContact O-CB 3.19Å; V781-L785 PolarHBondContact O-N 2.99Å
782L93.3Very high89.6Confident8 Ų854.9 Ų54.94%0.04227%0.267CS..Hα-helixtrans-64.4-39.2172.3-66.9169.7000111.7I770 N778 V779 E780 L785 A786 V801 K804 A805 L808I770-L782 HydrophobicContact CD1-CD2 4.45Å; N778-L782 VanDerWaalsContact O-CG 3.3Å; N778-L782 WeakPolarHBondContact O-CG 3.48Å; N778-L782 PolarHBondContact O-N 2.89Å; V779-L782 PolarHBondContact O-N 3.43Å; E780-L782 VanDerWaalsContact C-N 3.34Å; E780-L782 PolarHBondContact O-N 2.92Å; L782-L785 PolarHBondContact O-N 3.31Å; L782-A786 VanDerWaalsContact O-CB 3.32Å; L782-A786 WeakPolarHBondContact O-CB 3.4Å; L782-A786 PolarHBondContact O-N 3.26Å; L782-V801 HydrophobicContact CB-CG1 3.96Å; L782-V801 HydrophobicContact CD2-CG1 4Å; L782-V801 WeakPolarHBondContact O-CG1 3.47Å; L782-K804 HydrophobicContact CD1-CD 4.44Å; L782-A805 HydrophobicContact CB-CB 4.07Å; L782-A805 HydrophobicContact CD1-CB 4.35Å; L782-L808 HydrophobicContact CD1-CD1 3.7Å
783V93Very high89.8Confident9 Ų954.3 Ų54.36%0.05527%0.269CS..Hα-helixtrans-66.4-41.41751700000111.5V779 E780 A786 R787 I815V779-V783 WeakPolarHBondContact O-CG2 3.3Å; V779-V783 PolarHBondContact O-N 2.85Å; E780-V783 PolarHBondContact O-N 2.97Å; E780-V783 VanDerWaalsContact O-N 3.15Å; V783-A786 PolarHBondContact O-N 3.39Å; V783-R787 VanDerWaalsContact O-CG 3.3Å; V783-R787 WeakPolarHBondContact O-CG 3.4Å; V783-R787 PolarHBondContact O-N 3.47Å; V783-I815 HydrophobicContact CG2-CG1 3.88Å
784Y92.8Very high90.2Very high77 Ų7756.1 Ų56.130%0.30228%0.277SS..Hα-helixtrans-62.3-46.2174-59.3-44.4000112H751 Y766 E780 V781 A786 R787 A788H751-Y784 AromaticContact CE1-CD2 3.73Å; H751-Y784 AromaticContact CE1-CE2 3.95Å; H751-Y784 AromaticContact CE1-CG 3.81Å; Y766-Y784 HydrophobicContact CE1-CG 4.44Å; E780-Y784 HydrophobicContact CB-CE2 4.15Å; E780-Y784 WeakPolarHBondContact O-CD2 3.49Å; E780-Y784 PolarHBondContact O-N 3.41Å; V781-Y784 PolarHBondContact O-N 3.18Å; Y784-A786 PolarHBondContact O-N 3.07Å; Y784-R787 PolarHBondContact O-N 3.17Å; Y784-A788 WeakPolarHBondContact O-CB 3.18Å; Y784-A788 PolarHBondContact O-N 2.97Å
785L93.7Very high90.6Very high9 Ų954.1 Ų54.15%0.04725%0.252CS..Hα-helixtrans-60.7-42.3175.2175.962.2000112V763 E767 I770 V781 L782 R787 A788 Y789 V801V763-L785 HydrophobicContact CG1-CD1 4.25Å; V763-L785 HydrophobicContact CG2-CD1 4.49Å; E767-L785 HydrophobicContact CG-CD1 4.37Å; I770-L785 HydrophobicContact CD1-CD2 3.65Å; V781-L785 WeakPolarHBondContact O-CB 3.19Å; V781-L785 PolarHBondContact O-N 2.99Å; L782-L785 PolarHBondContact O-N 3.31Å; L785-R787 PolarHBondContact O-N 3.37Å; L785-A788 PolarHBondContact O-N 3.04Å; L785-Y789 HydrophobicContact CD1-CD2 3.85Å; L785-Y789 HydrophobicContact CD1-CE2 3.5Å; L785-Y789 VanDerWaalsContact CD1-CE2 3.5Å; L785-Y789 HydrophobicContact CD2-CE2 3.84Å; L785-Y789 HydrophobicContact CG-CD2 3.76Å; L785-Y789 HydrophobicContact CG-CE2 3.5Å; L785-Y789 WeakPolarHBondContact O-CD2 3.43Å; L785-Y789 PolarHBondContact O-N 3.44Å; L785-V801 HydrophobicContact CD2-CG1 4.44Å; L785-V801 HydrophobicContact CD2-CG2 4.16Å
786A93.6Very high91.1Very high2 Ų256.7 Ų56.72%0.01727%0.266CS..Hα-helixtrans-63.2-41.3177.300000112.7L782 V783 Y784 Y789 F790 S798 V801 L802L782-A786 VanDerWaalsContact O-CB 3.32Å; L782-A786 WeakPolarHBondContact O-CB 3.4Å; L782-A786 PolarHBondContact O-N 3.26Å; V783-A786 PolarHBondContact O-N 3.39Å; Y784-A786 PolarHBondContact O-N 3.07Å; A786-Y789 PolarHBondContact O-N 3.14Å; A786-F790 WeakPolarHBondContact O-CB 3.29Å; A786-F790 PolarHBondContact O-N 3.41Å; A786-S798 PolarHBondContact O-OG 3.3Å; A786-V801 HydrophobicContact CB-CB 4.31Å; A786-V801 HydrophobicContact CB-CG1 3.98Å; A786-L802 HydrophobicContact CB-CD1 4.08Å; A786-L802 HydrophobicContact CB-CD2 3.79Å; A786-L802 HydrophobicContact CB-CG 3.58Å
787R92.6Very high91.7Very high134 Ų13454.8 Ų54.851%0.50626%0.257SS..Hα-helixtrans-66-38.3174.6-68.4171.8103.1-164.85.7111.2V783 Y784 L785 F790 R791V783-R787 VanDerWaalsContact O-CG 3.3Å; V783-R787 WeakPolarHBondContact O-CG 3.4Å; V783-R787 PolarHBondContact O-N 3.47Å; Y784-R787 PolarHBondContact O-N 3.17Å; L785-R787 PolarHBondContact O-N 3.37Å; R787-F790 PolarHBondContact O-N 3.03Å; R787-R791 WeakPolarHBondContact O-CG 3.13Å; R787-R791 PolarHBondContact O-N 3.07Å
788A93.2Very high92.2Very high2 Ų249.7 Ų49.72%0.01723%0.23CC..Hα-helixtrans-65.2-43.4174.100000112.1V763 Y766 Y784 L785 F790 R791 A792V763-A788 HydrophobicContact CG2-CB 3.72Å; Y766-A788 HydrophobicContact CD2-CB 3.84Å; Y766-A788 HydrophobicContact CE2-CB 3.72Å; Y784-A788 WeakPolarHBondContact O-CB 3.18Å; Y784-A788 PolarHBondContact O-N 2.97Å; L785-A788 PolarHBondContact O-N 3.04Å; A788-F790 PolarHBondContact O-N 2.93Å; A788-R791 PolarHBondContact O-N 3.48Å; A788-A792 VanDerWaalsContact O-CB 3.24Å; A788-A792 WeakPolarHBondContact O-CB 3.48Å; A788-A792 PolarHBondContact O-N 2.7Å
789Y94.8Very high92.4Very high24 Ų2448.4 Ų48.49%0.09422%0.222CC..Hα-helixtrans-60.7-41.6172.1-80.8-51.4000112.4V763 E767 L785 A786 A792 D793 K794 E797 V801V763-Y789 HydrophobicContact CG1-CD1 3.93Å; V763-Y789 HydrophobicContact CG1-CE1 3.42Å; V763-Y789 VanDerWaalsContact CG1-CE1 3.42Å; V763-Y789 HydrophobicContact CG2-CD1 3.83Å; V763-Y789 HydrophobicContact CG2-CE1 4.21Å; V763-Y789 HydrophobicContact CG2-CG 4.3Å; E767-Y789 PolarHBondContact OE1-OH 3.3Å; L785-Y789 HydrophobicContact CD1-CD2 3.85Å; L785-Y789 HydrophobicContact CD1-CE2 3.5Å; L785-Y789 VanDerWaalsContact CD1-CE2 3.5Å; L785-Y789 HydrophobicContact CD2-CE2 3.84Å; L785-Y789 HydrophobicContact CG-CD2 3.76Å; L785-Y789 HydrophobicContact CG-CE2 3.5Å; L785-Y789 WeakPolarHBondContact O-CD2 3.43Å; L785-Y789 PolarHBondContact O-N 3.44Å; A786-Y789 PolarHBondContact O-N 3.14Å; Y789-A792 CarbonylContact O-C 3.45Å; Y789-A792 PolarHBondContact O-N 3.18Å; Y789-A792 VanDerWaalsContact O-N 3.13Å; Y789-D793 PolarHBondContact O-N 3Å; Y789-K794 HydrophobicContact CD1-CB 3.68Å; Y789-K794 HydrophobicContact CD1-CD 3.64Å; Y789-K794 HydrophobicContact CD1-CG 4.31Å; Y789-K794 HydrophobicContact CE1-CD 3.83Å; Y789-K794 HydrophobicContact CG-CB 4.31Å; Y789-K794 PolarHBondContact O-N 3.41Å; Y789-E797 HydrophobicContact CD1-CB 3.91Å; Y789-E797 HydrophobicContact CD2-CB 4.06Å; Y789-E797 HydrophobicContact CE1-CB 3.88Å; Y789-E797 HydrophobicContact CE1-CG 4.38Å; Y789-E797 HydrophobicContact CE2-CB 4.04Å; Y789-E797 HydrophobicContact CG-CB 3.99Å; Y789-V801 HydrophobicContact CD2-CG2 4.12Å; Y789-V801 HydrophobicContact CE2-CG2 3.83Å
790F93.4Very high92.5Very high64 Ų6451.3 Ų51.328%0.28124%0.236SC..Hα-helixtrans-62.5-43.8176.4-171.9-100.7000112A786 R787 A788 A792 D793 M795 L821 T822 V825A786-F790 WeakPolarHBondContact O-CB 3.29Å; A786-F790 PolarHBondContact O-N 3.41Å; R787-F790 PolarHBondContact O-N 3.03Å; A788-F790 PolarHBondContact O-N 2.93Å; F790-A792 VanDerWaalsContact C-N 3.3Å; F790-A792 PolarHBondContact O-N 2.94Å; F790-D793 PolarHBondContact O-N 2.98Å; F790-M795 HydrophobicContact CD2-CE 3.7Å; F790-M795 HydrophobicContact CD2-SD 3.31Å; F790-M795 WeakPolarHBondContact CD2-SD 3.47Å; F790-M795 HydrophobicContact CE2-CE 3.8Å; F790-M795 HydrophobicContact CE2-SD 3.59Å; F790-M795 VanDerWaalsContact CE2-SD 3.59Å; F790-M795 HydrophobicContact CG-CE 4.24Å; F790-M795 HydrophobicContact CG-SD 4.25Å; F790-M795 HydrophobicContact CZ-CE 4.39Å; F790-M795 WeakPolarHBondContact O-CE 3.04Å; F790-L821 HydrophobicContact CE1-CD2 4.4Å; F790-L821 HydrophobicContact CZ-CD2 4.1Å; F790-L821 HydrophobicContact CZ-CG 4.12Å; F790-T822 HydrophobicContact CD2-CG2 3.64Å; F790-T822 HydrophobicContact CE2-CG2 4.05Å; F790-V825 HydrophobicContact CE2-CB 4.33Å; F790-V825 HydrophobicContact CE2-CG2 4.11Å; F790-V825 HydrophobicContact CZ-CG2 4.19Å
791R91.5Very high92.7Very high116 Ų11646.7 Ų46.744%0.43822%0.216SC..Hα-helixtrans-67-27.9172.1-69.8-175.8175.51733.5112.9A754 E755 N759 R787 A788 D793A754-R791 VanDerWaalsContact C-NH1 3.28Å; A754-R791 PolarHBondContact O-NH1 3.25Å; E755-R791 IonicContact OE1-CZ 2.74Å; E755-R791 VanDerWaalsContact OE1-CZ 3.22Å; E755-R791 IonicContact OE1-NH1 2.66Å; E755-R791 PolarHBondContact OE1-NH1 3.04Å; E755-R791 IonicContact OE1-NH2 2.62Å; E755-R791 PolarHBondContact OE1-NH2 3.18Å; E755-R791 IonicContact OE2-NH1 3.71Å; E755-R791 IonicContact OE2-NH2 3.48Å; N759-R791 HydrophobicContact CB-CB 4.21Å; N759-R791 PolarHBondContact ND2-O 3.05Å; N759-R791 WeakPolarHBondContact OD1-CB 3.39Å; R787-R791 WeakPolarHBondContact O-CG 3.13Å; R787-R791 PolarHBondContact O-N 3.07Å; A788-R791 PolarHBondContact O-N 3.48Å; R791-D793 VanDerWaalsContact C-N 3.29Å; R791-D793 PolarHBondContact O-N 3.43Å
792A91.5Very high92.8Very high24 Ų2446.7 Ų46.720%0.19822%0.216CC..THydrogen-bonded Turntrans-86.311.5176.500000114.2N759 V763 A788 Y789 F790 K794N759-A792 HydrophobicContact CB-CB 3.79Å; V763-A792 HydrophobicContact CG2-CB 4.3Å; A788-A792 VanDerWaalsContact O-CB 3.24Å; A788-A792 WeakPolarHBondContact O-CB 3.48Å; A788-A792 PolarHBondContact O-N 2.7Å; Y789-A792 CarbonylContact O-C 3.45Å; Y789-A792 PolarHBondContact O-N 3.18Å; Y789-A792 VanDerWaalsContact O-N 3.13Å; F790-A792 VanDerWaalsContact C-N 3.3Å; F790-A792 PolarHBondContact O-N 2.94Å; A792-K794 PolarHBondContact O-N 3.16Å; A792-K794 VanDerWaalsContact O-N 3.13Å
793D89.8Confident92.8Very high93 Ų9349.7 Ų49.750%0.49723%0.232SC..THydrogen-bonded Turntrans62.87.9-176.9-144.354.8000116.7Y789 F790 R791 M795 R829Y789-D793 PolarHBondContact O-N 3Å; F790-D793 PolarHBondContact O-N 2.98Å; R791-D793 VanDerWaalsContact C-N 3.29Å; R791-D793 PolarHBondContact O-N 3.43Å; D793-M795 VanDerWaalsContact C-N 3.3Å; D793-M795 PolarHBondContact O-N 3.32Å; D793-R829 IonicContact OD1-CZ 3.75Å; D793-R829 VanDerWaalsContact OD1-CZ 3.27Å; D793-R829 IonicContact OD1-NH1 3.64Å; D793-R829 PolarHBondContact OD1-NH1 3.36Å; D793-R829 IonicContact OD1-NH2 2.71Å; D793-R829 PolarHBondContact OD1-NH2 2.91Å; D793-R829 IonicContact OD2-CZ 2.95Å; D793-R829 IonicContact OD2-NH1 3.12Å; D793-R829 PolarHBondContact OD2-NH1 2.93Å; D793-R829 IonicContact OD2-NH2 3.13Å
794K91.9Very high92.8Very high85 Ų8552.8 Ų52.837%0.3724%0.244SC..  trans-84.966.4-178-76-176.2169-168.40111.9Y789 A792 M796 E797 S798Y789-K794 HydrophobicContact CD1-CB 3.68Å; Y789-K794 HydrophobicContact CD1-CD 3.64Å; Y789-K794 HydrophobicContact CD1-CG 4.31Å; Y789-K794 HydrophobicContact CE1-CD 3.83Å; Y789-K794 HydrophobicContact CG-CB 4.31Å; Y789-K794 PolarHBondContact O-N 3.41Å; A792-K794 PolarHBondContact O-N 3.16Å; A792-K794 VanDerWaalsContact O-N 3.13Å; K794-M796 PolarHBondContact O-N 3.38Å; K794-E797 HydrophobicContact CB-CB 4.3Å; K794-E797 HydrophobicContact CB-CG 4.46Å; K794-E797 WeakPolarHBondContact CD-OE1 3.46Å; K794-E797 WeakPolarHBondContact CG-OE1 3.44Å; K794-E797 PolarHBondContact O-N 3.42Å; K794-S798 WeakPolarHBondContact O-CB 3.42Å; K794-S798 PolarHBondContact O-N 3.25Å
795M91.2Very high92.8Very high15 Ų1549.1 Ų49.17%0.07423%0.23CC..Hα-helixtrans-66.7-32.4-168.7-62.4-63.4169.800114.1F790 D793 K799 V825 V826F790-M795 HydrophobicContact CD2-CE 3.7Å; F790-M795 HydrophobicContact CD2-SD 3.31Å; F790-M795 WeakPolarHBondContact CD2-SD 3.47Å; F790-M795 HydrophobicContact CE2-CE 3.8Å; F790-M795 HydrophobicContact CE2-SD 3.59Å; F790-M795 VanDerWaalsContact CE2-SD 3.59Å; F790-M795 HydrophobicContact CG-CE 4.24Å; F790-M795 HydrophobicContact CG-SD 4.25Å; F790-M795 HydrophobicContact CZ-CE 4.39Å; F790-M795 WeakPolarHBondContact O-CE 3.04Å; D793-M795 VanDerWaalsContact C-N 3.3Å; D793-M795 PolarHBondContact O-N 3.32Å; M795-K799 WeakPolarHBondContact O-CB 3.45Å; M795-K799 PolarHBondContact O-N 3.46Å; M795-V825 HydrophobicContact CE-CG1 3.94Å; M795-V825 HydrophobicContact CG-CG1 4.17Å; M795-V825 HydrophobicContact SD-CB 4.5Å; M795-V825 HydrophobicContact SD-CG1 3.82Å; M795-V826 HydrophobicContact CB-CG2 3.72Å
796M90.7Very high92.7Very high100 Ų10052.4 Ų52.449%0.49324%0.242SC..Hα-helixtrans-74.9-40179-71-61.6-65.800111.7K794 K799 N800 V826K794-M796 PolarHBondContact O-N 3.38Å; M796-K799 PolarHBondContact O-N 2.89Å; M796-N800 WeakPolarHBondContact O-CB 3.39Å; M796-N800 PolarHBondContact O-N 3.24Å; M796-N800 PolarHBondContact O-ND2 3.45Å; M796-V826 HydrophobicContact SD-CG1 3.89Å; M796-V826 HydrophobicContact SD-CG2 4.36Å
797E93.1Very high92.7Very high72 Ų7261.9 Ų61.934%0.33628%0.278SS..Hα-helixtrans-64.8-43.4173.9-57.795.8125.200110.8Y789 K794 N800 V801Y789-E797 HydrophobicContact CD1-CB 3.91Å; Y789-E797 HydrophobicContact CD2-CB 4.06Å; Y789-E797 HydrophobicContact CE1-CB 3.88Å; Y789-E797 HydrophobicContact CE1-CG 4.38Å; Y789-E797 HydrophobicContact CE2-CB 4.04Å; Y789-E797 HydrophobicContact CG-CB 3.99Å; K794-E797 HydrophobicContact CB-CB 4.3Å; K794-E797 HydrophobicContact CB-CG 4.46Å; K794-E797 WeakPolarHBondContact CD-OE1 3.46Å; K794-E797 WeakPolarHBondContact CG-OE1 3.44Å; K794-E797 PolarHBondContact O-N 3.42Å; E797-N800 PolarHBondContact O-N 3.25Å; E797-V801 WeakPolarHBondContact O-CG2 3.32Å; E797-V801 PolarHBondContact O-N 3.46Å
798S94.6Very high92.6Very high0 Ų058.5 Ų58.50%027%0.27CS..Hα-helixtrans-58.3-48.1173.3-168.60000112.1A786 K794 N800 V801 L802 T822A786-S798 PolarHBondContact O-OG 3.3Å; K794-S798 WeakPolarHBondContact O-CB 3.42Å; K794-S798 PolarHBondContact O-N 3.25Å; S798-N800 VanDerWaalsContact C-N 3.35Å; S798-N800 PolarHBondContact O-N 3.47Å; S798-V801 PolarHBondContact O-N 3.15Å; S798-L802 WeakPolarHBondContact O-CG 3.44Å; S798-L802 PolarHBondContact O-N 3.06Å; S798-T822 WeakPolarHBondContact OG-CG2 3.46Å
799K93.7Very high92.4Very high29 Ų2959.6 Ų59.613%0.12628%0.279CS..Hα-helixtrans-55.4-47173.8177.7-179.1177.61750111.8M795 M796 L802 L803 L823 D847M795-K799 WeakPolarHBondContact O-CB 3.45Å; M795-K799 PolarHBondContact O-N 3.46Å; M796-K799 PolarHBondContact O-N 2.89Å; K799-L802 PolarHBondContact O-N 3.17Å; K799-L803 HydrophobicContact CG-CD1 4.07Å; K799-L803 VanDerWaalsContact O-CG 3.3Å; K799-L803 WeakPolarHBondContact O-CG 3.5Å; K799-L803 PolarHBondContact O-N 2.92Å; K799-L823 HydrophobicContact CD-CD2 4.03Å; K799-L823 VanDerWaalsContact CE-CD2 3.47Å; K799-L823 HydrophobicContact CG-CD2 4.41Å; K799-D847 IonicContact NZ-OD1 3.07Å; K799-D847 PolarHBondContact NZ-OD1 3.34Å; K799-D847 IonicContact NZ-OD2 3.02Å; K799-D847 PolarHBondContact NZ-OD2 3.15Å
800N93.3Very high92Very high95 Ų9561.3 Ų61.351%0.50829%0.293SS..Hα-helixtrans-66.1-40.9-178.2-69.6-16.4000112.4M796 E797 S798 L803 K804M796-N800 WeakPolarHBondContact O-CB 3.39Å; M796-N800 PolarHBondContact O-N 3.24Å; M796-N800 PolarHBondContact O-ND2 3.45Å; E797-N800 PolarHBondContact O-N 3.25Å; S798-N800 VanDerWaalsContact C-N 3.35Å; S798-N800 PolarHBondContact O-N 3.47Å; N800-L803 PolarHBondContact O-N 3.01Å; N800-K804 PolarHBondContact O-N 3.1Å
801V93.5Very high91.6Very high21 Ų2166.9 Ų66.913%0.12732%0.318CS..Hα-helixtrans-66.3-41.2176.1173.40000111.5L782 L785 A786 Y789 E797 S798 L803 K804 A805L782-V801 HydrophobicContact CB-CG1 3.96Å; L782-V801 HydrophobicContact CD2-CG1 4Å; L782-V801 WeakPolarHBondContact O-CG1 3.47Å; L785-V801 HydrophobicContact CD2-CG1 4.44Å; L785-V801 HydrophobicContact CD2-CG2 4.16Å; A786-V801 HydrophobicContact CB-CB 4.31Å; A786-V801 HydrophobicContact CB-CG1 3.98Å; Y789-V801 HydrophobicContact CD2-CG2 4.12Å; Y789-V801 HydrophobicContact CE2-CG2 3.83Å; E797-V801 WeakPolarHBondContact O-CG2 3.32Å; E797-V801 PolarHBondContact O-N 3.46Å; S798-V801 PolarHBondContact O-N 3.15Å; V801-L803 VanDerWaalsContact C-N 3.32Å; V801-L803 PolarHBondContact O-N 3.02Å; V801-K804 PolarHBondContact O-N 2.95Å; V801-K804 VanDerWaalsContact O-N 3.16Å; V801-A805 PolarHBondContact O-N 2.93Å
802L94.5Very high91.4Very high2 Ų263.7 Ų63.71%0.0131%0.31CS..Hα-helixtrans-67.5-31.7176.1-72.3163000112.7A786 S798 K799 A805 R806 I815 N818 L819 T822A786-L802 HydrophobicContact CB-CD1 4.08Å; A786-L802 HydrophobicContact CB-CD2 3.79Å; A786-L802 HydrophobicContact CB-CG 3.58Å; S798-L802 WeakPolarHBondContact O-CG 3.44Å; S798-L802 PolarHBondContact O-N 3.06Å; K799-L802 PolarHBondContact O-N 3.17Å; L802-A805 PolarHBondContact O-N 3.17Å; L802-R806 VanDerWaalsContact O-CB 3.23Å; L802-R806 WeakPolarHBondContact O-CB 3.25Å; L802-R806 PolarHBondContact O-N 3.36Å; L802-I815 HydrophobicContact CD2-CG2 4.28Å; L802-N818 HydrophobicContact CD1-CB 4.03Å; L802-N818 HydrophobicContact CD2-CB 3.8Å; L802-L819 HydrophobicContact CB-CB 4.32Å; L802-L819 HydrophobicContact CB-CD1 3.96Å; L802-T822 HydrophobicContact CD1-CG2 3.67Å; L802-T822 WeakPolarHBondContact CD1-OG1 3.28Å
803L92.8Very high91.2Very high71 Ų7163.4 Ų63.437%0.37231%0.305SS..Hα-helixtrans-67.3-37.6170.3-71.8170.2000111.9K799 N800 V801 Y807 L819K799-L803 HydrophobicContact CG-CD1 4.07Å; K799-L803 VanDerWaalsContact O-CG 3.3Å; K799-L803 WeakPolarHBondContact O-CG 3.5Å; K799-L803 PolarHBondContact O-N 2.92Å; N800-L803 PolarHBondContact O-N 3.01Å; V801-L803 VanDerWaalsContact C-N 3.32Å; V801-L803 PolarHBondContact O-N 3.02Å; L803-Y807 PolarHBondContact O-N 3.39Å; L803-L819 HydrophobicContact CD2-CD1 4.08Å; L803-L819 HydrophobicContact CD2-CD2 3.95Å; L803-L819 HydrophobicContact CG-CD1 4.11Å
804K92.3Very high91.1Very high74 Ų7461.9 Ų61.932%0.32230%0.297SS..Hα-helixtrans-65.2-46.5171.2-164.2-174.1-172.3-169.90111.3E776 L782 N800 V801 R806 Y807 L808E776-K804 VanDerWaalsContact O-CE 3.31Å; E776-K804 WeakPolarHBondContact O-CE 3.32Å; E776-K804 PolarHBondContact O-NZ 2.94Å; E776-K804 IonicContact OE2-NZ 2.95Å; E776-K804 PolarHBondContact OE2-NZ 2.99Å; E776-K804 VanDerWaalsContact OE2-NZ 3.11Å; L782-K804 HydrophobicContact CD1-CD 4.44Å; N800-K804 PolarHBondContact O-N 3.1Å; V801-K804 PolarHBondContact O-N 2.95Å; V801-K804 VanDerWaalsContact O-N 3.16Å; K804-R806 VanDerWaalsContact C-N 3.33Å; K804-R806 PolarHBondContact O-N 3Å; K804-Y807 WeakPolarHBondContact O-CB 3.21Å; K804-Y807 PolarHBondContact O-N 3.08Å; K804-L808 WeakPolarHBondContact O-CG 3.39Å; K804-L808 PolarHBondContact O-N 3.46Å
805A93.4Very high91.1Very high0 Ų057.9 Ų57.90%028%0.28CS..Hα-helixtrans-59.8-42.8177.800000111.8L782 V801 L802 Y807 L808 A809 I815L782-A805 HydrophobicContact CB-CB 4.07Å; L782-A805 HydrophobicContact CD1-CB 4.35Å; V801-A805 PolarHBondContact O-N 2.93Å; L802-A805 PolarHBondContact O-N 3.17Å; A805-Y807 VanDerWaalsContact C-N 3.35Å; A805-Y807 PolarHBondContact O-N 2.86Å; A805-L808 PolarHBondContact O-N 2.87Å; A805-A809 PolarHBondContact O-N 2.67Å; A805-I815 HydrophobicContact CB-CD1 4.08Å; A805-I815 HydrophobicContact CB-CG2 4.19Å
806R91.5Very high91.1Very high77 Ų7758 Ų5829%0.29128%0.28SS..Hα-helixtrans-69.5-26.9176.5-173.9172.9169.9-99.9-4.8113.7L802 K804 L808 A809 P810 I815 L819 Y854L802-R806 VanDerWaalsContact O-CB 3.23Å; L802-R806 WeakPolarHBondContact O-CB 3.25Å; L802-R806 PolarHBondContact O-N 3.36Å; K804-R806 VanDerWaalsContact C-N 3.33Å; K804-R806 PolarHBondContact O-N 3Å; R806-L808 VanDerWaalsContact C-N 3.28Å; R806-A809 CarbonylContact O-C 3.58Å; R806-P810 WeakPolarHBondContact O-CA 3.46Å; R806-I815 HydrophobicContact CB-CG2 3.79Å; R806-L819 VanDerWaalsContact CD-CD2 3.45Å; R806-Y854 VanDerWaalsContact CZ-OH 3.26Å; R806-Y854 PolarHBondContact NH1-OH 3.49Å; R806-Y854 PolarHBondContact NH2-OH 2.95Å
807Y92.7Very high91.2Very high201 Ų20154.5 Ų54.579%0.78826%0.262SS*.Hα-helixtrans-66.7-34.6171.7176.9-100.9000111.5L803 K804 A805L803-Y807 PolarHBondContact O-N 3.39Å; K804-Y807 WeakPolarHBondContact O-CB 3.21Å; K804-Y807 PolarHBondContact O-N 3.08Å; A805-Y807 VanDerWaalsContact C-N 3.35Å; A805-Y807 PolarHBondContact O-N 2.86Å
808L90.6Very high91.1Very high63 Ų6352 Ų5233%0.3325%0.251SS..Hα-helixtrans-80.8-38.7178.3-61.7161.9000112.4N777 V779 L782 K804 A805 R806N777-L808 HydrophobicContact CB-CD1 4.17Å; N777-L808 HydrophobicContact CB-CD2 4.11Å; V779-L808 HydrophobicContact CG2-CB 3.9Å; L782-L808 HydrophobicContact CD1-CD1 3.7Å; K804-L808 WeakPolarHBondContact O-CG 3.39Å; K804-L808 PolarHBondContact O-N 3.46Å; A805-L808 PolarHBondContact O-N 2.87Å; R806-L808 VanDerWaalsContact C-N 3.28Å
809A89.6Confident91.1Very high25 Ų2552.1 Ų52.121%0.20725%0.251CS..  trans-130.482.9178.600000110.8V779 A805 R806 F811 D812 I815V779-A809 HydrophobicContact CG1-CB 4.14Å; V779-A809 HydrophobicContact CG2-CB 4.1Å; A805-A809 PolarHBondContact O-N 2.67Å; R806-A809 CarbonylContact O-C 3.58Å; A809-F811 VanDerWaalsContact C-N 3.32Å; A809-F811 PolarHBondContact O-N 2.87Å; A809-D812 HydrophobicContact CB-CB 4.23Å; A809-I815 HydrophobicContact CB-CD1 3.8Å
810P87Confident91Very high61 Ų6150.7 Ų50.740%0.39625%0.245SC..THydrogen-bonded Turntrans-72.8-19.5-171.326.4-34.5000115.1R806R806-P810 WeakPolarHBondContact O-CA 3.46Å
811F83.7Confident91Very high181 Ų18147.9 Ų47.979%0.79423%0.23SC*.THydrogen-bonded Turntrans-103.4-0.3-176.1-60.2-70.2000114.4A809 P813A809-F811 VanDerWaalsContact C-N 3.32Å; A809-F811 PolarHBondContact O-N 2.87Å; F811-P813 WeakPolarHBondContact O-CD 3.41Å
812D87.3Confident91Very high49 Ų4947.1 Ų47.126%0.26223%0.225SC..  trans-70.6115.9-179.5-178.8-13.2000110.9A809 L814 I815 L816A809-D812 HydrophobicContact CB-CB 4.23Å; D812-L814 VanDerWaalsContact C-N 3.26Å; D812-L814 PolarHBondContact O-N 3.22Å; D812-L814 WeakPolarHBondContact OD1-CA 3.42Å; D812-L814 VanDerWaalsContact OD1-CB 3.28Å; D812-L814 WeakPolarHBondContact OD1-CB 3.46Å; D812-L814 PolarHBondContact OD1-N 3.38Å; D812-I815 HydrophobicContact CB-CB 4.25Å; D812-I815 HydrophobicContact CB-CD1 3.71Å; D812-I815 HydrophobicContact CB-CG1 3.91Å; D812-I815 PolarHBondContact O-N 3.4Å; D812-I815 WeakPolarHBondContact OD2-CD1 3.43Å; D812-I815 WeakPolarHBondContact OD2-CG1 3.4Å; D812-L816 WeakPolarHBondContact O-CG 3.35Å; D812-L816 PolarHBondContact O-N 2.84Å
813P88.2Confident90.9Very high17 Ų1747.3 Ų47.311%0.1123%0.227CC..Hα-helixtrans-65.2-27.8-179.328.8-36.1000112.8F811 L816 Y817 L858 F863 V866 V867F811-P813 WeakPolarHBondContact O-CD 3.41Å; P813-L816 PolarHBondContact O-N 2.86Å; P813-Y817 VanDerWaalsContact O-CB 3.3Å; P813-Y817 WeakPolarHBondContact O-CB 3.22Å; P813-Y817 PolarHBondContact O-N 3.48Å; P813-L858 HydrophobicContact CB-CD2 3.57Å; P813-F863 HydrophobicContact CB-CB 4.41Å; P813-F863 HydrophobicContact CB-CD1 3.68Å; P813-F863 HydrophobicContact CB-CE1 4.1Å; P813-F863 HydrophobicContact CB-CG 4.04Å; P813-F863 HydrophobicContact CG-CD1 3.78Å; P813-F863 HydrophobicContact CG-CE1 4.22Å; P813-V866 HydrophobicContact CG-CB 4.21Å; P813-V866 HydrophobicContact CG-CG1 3.97Å; P813-V867 HydrophobicContact CB-CG2 4.25Å
814L88.5Confident90.9Very high62 Ų6244.5 Ų44.533%0.32521%0.211SC..Hα-helixtrans-69.7-40.7177.5-177.962.1000110.9D812 N818 V866D812-L814 VanDerWaalsContact C-N 3.26Å; D812-L814 PolarHBondContact O-N 3.22Å; D812-L814 WeakPolarHBondContact OD1-CA 3.42Å; D812-L814 VanDerWaalsContact OD1-CB 3.28Å; D812-L814 WeakPolarHBondContact OD1-CB 3.46Å; D812-L814 PolarHBondContact OD1-N 3.38Å; L814-N818 WeakPolarHBondContact CD1-ND2 3.3Å; L814-N818 WeakPolarHBondContact O-CB 3.43Å; L814-N818 PolarHBondContact O-N 3.4Å; L814-N818 PolarHBondContact O-ND2 2.99Å; L814-V866 HydrophobicContact CB-CG1 4.37Å
815I91.8Very high90.9Very high0 Ų042.5 Ų42.50%021%0.205CC..Hα-helixtrans-67.6-43.8174.3-57.5171.2000110.1V779 V783 L802 A805 R806 A809 D812 Y817 N818 L819V779-I815 HydrophobicContact CG1-CD1 3.49Å; V779-I815 VanDerWaalsContact CG1-CD1 3.49Å; V779-I815 HydrophobicContact CG1-CG1 4.43Å; V783-I815 HydrophobicContact CG2-CG1 3.88Å; L802-I815 HydrophobicContact CD2-CG2 4.28Å; A805-I815 HydrophobicContact CB-CD1 4.08Å; A805-I815 HydrophobicContact CB-CG2 4.19Å; R806-I815 HydrophobicContact CB-CG2 3.79Å; A809-I815 HydrophobicContact CB-CD1 3.8Å; D812-I815 HydrophobicContact CB-CB 4.25Å; D812-I815 HydrophobicContact CB-CD1 3.71Å; D812-I815 HydrophobicContact CB-CG1 3.91Å; D812-I815 PolarHBondContact O-N 3.4Å; D812-I815 WeakPolarHBondContact OD2-CD1 3.43Å; D812-I815 WeakPolarHBondContact OD2-CG1 3.4Å; I815-Y817 VanDerWaalsContact C-N 3.33Å; I815-Y817 PolarHBondContact O-N 3.32Å; I815-N818 PolarHBondContact O-N 3.4Å; I815-L819 WeakPolarHBondContact O-CB 3.25Å; I815-L819 PolarHBondContact O-N 3.36Å
816L91.2Very high90.8Very high17 Ų1743 Ų439%0.08921%0.208CC..Hα-helixtrans-59-42.9176.7-70.8168.9000111.7D812 P813 L819 A820 Y854 L858D812-L816 WeakPolarHBondContact O-CG 3.35Å; D812-L816 PolarHBondContact O-N 2.84Å; P813-L816 PolarHBondContact O-N 2.86Å; L816-L819 PolarHBondContact O-N 3.04Å; L816-A820 VanDerWaalsContact O-CB 3.3Å; L816-A820 WeakPolarHBondContact O-CB 3.33Å; L816-A820 PolarHBondContact O-N 3.47Å; L816-Y854 HydrophobicContact CD2-CD1 3.97Å; L816-Y854 HydrophobicContact CD2-CE1 4Å; L816-Y854 HydrophobicContact CD2-CG 4.47Å; L816-L858 HydrophobicContact CB-CD1 4.12Å; L816-L858 HydrophobicContact CB-CD2 4.43Å
817Y91.3Very high90.8Very high27 Ų2739.3 Ų39.311%0.10619%0.194CC..Hα-helixtrans-64.4-49.5177.2-177.4-91.7000112.2P813 I815 L819 A820 L821 F855 L858 V867 R871 L875P813-Y817 VanDerWaalsContact O-CB 3.3Å; P813-Y817 WeakPolarHBondContact O-CB 3.22Å; P813-Y817 PolarHBondContact O-N 3.48Å; I815-Y817 VanDerWaalsContact C-N 3.33Å; I815-Y817 PolarHBondContact O-N 3.32Å; Y817-L819 VanDerWaalsContact C-N 3.3Å; Y817-L819 PolarHBondContact O-N 3.14Å; Y817-A820 PolarHBondContact O-N 2.9Å; Y817-L821 WeakPolarHBondContact O-CB 3.15Å; Y817-L821 PolarHBondContact O-N 3.09Å; Y817-F855 HydrophobicContact CD2-CD1 4.4Å; Y817-F855 AromaticContact CD2-CE1 3.98Å; Y817-F855 HydrophobicContact CD2-CE1 3.98Å; Y817-F855 AromaticContact CE2-CE1 3.99Å; Y817-F855 HydrophobicContact CE2-CE1 3.99Å; Y817-L858 HydrophobicContact CD2-CD1 4.27Å; Y817-V867 HydrophobicContact CD2-CG1 3.5Å; Y817-V867 VanDerWaalsContact CD2-CG1 3.5Å; Y817-V867 HydrophobicContact CE2-CG1 3.87Å; Y817-V867 HydrophobicContact CG-CG1 4.22Å; Y817-R871 WeakPolarHBondContact OH-CD 3.16Å; Y817-R871 PolarHBondContact OH-NE 3.1Å; Y817-L875 HydrophobicContact CE2-CD1 3.96Å; Y817-L875 WeakPolarHBondContact OH-CD1 3.43Å
818N92.3Very high90.6Very high21 Ų2132.6 Ų32.611%0.11217%0.171CC..Hα-helixtrans-64.1-36.1177.9-73.6-65.2000111.6L802 L814 I815 T822L802-N818 HydrophobicContact CD1-CB 4.03Å; L802-N818 HydrophobicContact CD2-CB 3.8Å; L814-N818 WeakPolarHBondContact CD1-ND2 3.3Å; L814-N818 WeakPolarHBondContact O-CB 3.43Å; L814-N818 PolarHBondContact O-N 3.4Å; L814-N818 PolarHBondContact O-ND2 2.99Å; I815-N818 PolarHBondContact O-N 3.4Å; N818-T822 WeakPolarHBondContact O-CB 3.46Å; N818-T822 WeakPolarHBondContact O-CG2 3.33Å; N818-T822 PolarHBondContact O-N 3.05Å; N818-T822 PolarHBondContact O-OG1 3.08Å
819L93.3Very high90.5Very high1 Ų134.4 Ų34.41%0.00517%0.173CC..Hα-helixtrans-68.1-43.3174.9-17761.5000111.6L802 L803 R806 I815 L816 Y817 L821 T822 L823 Y854L802-L819 HydrophobicContact CB-CB 4.32Å; L802-L819 HydrophobicContact CB-CD1 3.96Å; L803-L819 HydrophobicContact CD2-CD1 4.08Å; L803-L819 HydrophobicContact CD2-CD2 3.95Å; L803-L819 HydrophobicContact CG-CD1 4.11Å; R806-L819 VanDerWaalsContact CD-CD2 3.45Å; I815-L819 WeakPolarHBondContact O-CB 3.25Å; I815-L819 PolarHBondContact O-N 3.36Å; L816-L819 PolarHBondContact O-N 3.04Å; Y817-L819 VanDerWaalsContact C-N 3.3Å; Y817-L819 PolarHBondContact O-N 3.14Å; L819-L821 VanDerWaalsContact C-N 3.33Å; L819-L821 PolarHBondContact O-N 3.25Å; L819-T822 WeakPolarHBondContact CA-OG1 3.33Å; L819-T822 PolarHBondContact O-N 3.11Å; L819-T822 PolarHBondContact O-OG1 3.12Å; L819-L823 HydrophobicContact CD1-CD1 4.2Å; L819-L823 HydrophobicContact CD1-CG 4.1Å; L819-L823 HydrophobicContact CG-CD1 3.9Å; L819-L823 HydrophobicContact CG-CG 4.28Å; L819-L823 VanDerWaalsContact O-CB 3.27Å; L819-L823 WeakPolarHBondContact O-CB 3.49Å; L819-L823 WeakPolarHBondContact O-CG 3.35Å; L819-L823 PolarHBondContact O-N 3.29Å; L819-Y854 HydrophobicContact CD2-CE2 3.88Å; L819-Y854 HydrophobicContact CG-CE2 4.22Å
820A92.2Very high90.4Very high0 Ų034.9 Ų34.90%017%0.174CC..Hα-helixtrans-61-42.5175.300000111.8L816 Y817 K824 A851 Y854 F855L816-A820 VanDerWaalsContact O-CB 3.3Å; L816-A820 WeakPolarHBondContact O-CB 3.33Å; L816-A820 PolarHBondContact O-N 3.47Å; Y817-A820 PolarHBondContact O-N 2.9Å; A820-K824 VanDerWaalsContact O-CB 3.3Å; A820-K824 WeakPolarHBondContact O-CB 3.33Å; A820-K824 PolarHBondContact O-N 3.35Å; A820-A851 HydrophobicContact CB-CB 4.46Å; A820-A851 WeakPolarHBondContact O-CB 3.38Å; A820-Y854 HydrophobicContact CB-CD2 4.2Å; A820-Y854 HydrophobicContact CB-CG 4.48Å; A820-F855 HydrophobicContact CB-CD1 4.01Å; A820-F855 HydrophobicContact CB-CD2 3.97Å; A820-F855 HydrophobicContact CB-CE1 3.64Å; A820-F855 HydrophobicContact CB-CE2 3.61Å; A820-F855 HydrophobicContact CB-CG 4.16Å; A820-F855 HydrophobicContact CB-CZ 3.43Å; A820-F855 VanDerWaalsContact CB-CZ 3.43Å
821L92.8Very high90.3Very high36 Ų3632.7 Ų32.719%0.18816%0.158CC..Hα-helixtrans-65.7-43.5177.4-173.864.7000112.4F790 Y817 L819 K824 V825 F855 L875F790-L821 HydrophobicContact CE1-CD2 4.4Å; F790-L821 HydrophobicContact CZ-CD2 4.1Å; F790-L821 HydrophobicContact CZ-CG 4.12Å; Y817-L821 WeakPolarHBondContact O-CB 3.15Å; Y817-L821 PolarHBondContact O-N 3.09Å; L819-L821 VanDerWaalsContact C-N 3.33Å; L819-L821 PolarHBondContact O-N 3.25Å; L821-K824 PolarHBondContact O-N 3.42Å; L821-V825 WeakPolarHBondContact O-CG2 3.4Å; L821-V825 PolarHBondContact O-N 2.96Å; L821-V825 VanDerWaalsContact O-N 3.08Å; L821-F855 HydrophobicContact CB-CZ 4.35Å; L821-L875 HydrophobicContact CD1-CD1 4.33Å; L821-L875 HydrophobicContact CD1-CD2 4.3Å
822T93.7Very high90.4Very high4 Ų431 Ų313%0.02515%0.153CC..Hα-helixtrans-68.5-44177470000112.3F790 S798 L802 N818 L819 K824 V825 V826F790-T822 HydrophobicContact CD2-CG2 3.64Å; F790-T822 HydrophobicContact CE2-CG2 4.05Å; S798-T822 WeakPolarHBondContact OG-CG2 3.46Å; L802-T822 HydrophobicContact CD1-CG2 3.67Å; L802-T822 WeakPolarHBondContact CD1-OG1 3.28Å; N818-T822 WeakPolarHBondContact O-CB 3.46Å; N818-T822 WeakPolarHBondContact O-CG2 3.33Å; N818-T822 PolarHBondContact O-N 3.05Å; N818-T822 PolarHBondContact O-OG1 3.08Å; L819-T822 WeakPolarHBondContact CA-OG1 3.33Å; L819-T822 PolarHBondContact O-N 3.11Å; L819-T822 PolarHBondContact O-OG1 3.12Å; T822-K824 VanDerWaalsContact C-N 3.32Å; T822-K824 PolarHBondContact O-N 2.83Å; T822-V825 PolarHBondContact O-N 2.99Å; T822-V826 WeakPolarHBondContact O-CB 3.35Å; T822-V826 WeakPolarHBondContact O-CG2 3.4Å; T822-V826 PolarHBondContact O-N 2.88Å
823L93.6Very high90.2Very high7 Ų732.5 Ų32.54%0.03716%0.161CC..Hα-helixtrans-55.8-46.5172.9-74.2170.6000111.5K799 L819 V825 V826 A827 D847 Q850 A851 Y854K799-L823 HydrophobicContact CD-CD2 4.03Å; K799-L823 VanDerWaalsContact CE-CD2 3.47Å; K799-L823 HydrophobicContact CG-CD2 4.41Å; L819-L823 HydrophobicContact CD1-CD1 4.2Å; L819-L823 HydrophobicContact CD1-CG 4.1Å; L819-L823 HydrophobicContact CG-CD1 3.9Å; L819-L823 HydrophobicContact CG-CG 4.28Å; L819-L823 VanDerWaalsContact O-CB 3.27Å; L819-L823 WeakPolarHBondContact O-CB 3.49Å; L819-L823 WeakPolarHBondContact O-CG 3.35Å; L819-L823 PolarHBondContact O-N 3.29Å; L823-V825 PolarHBondContact O-N 2.94Å; L823-V826 PolarHBondContact O-N 3.39Å; L823-A827 VanDerWaalsContact O-CB 3.24Å; L823-A827 WeakPolarHBondContact O-CB 3.4Å; L823-A827 PolarHBondContact O-N 2.87Å; L823-D847 HydrophobicContact CB-CB 4.47Å; L823-D847 HydrophobicContact CD2-CB 3.84Å; L823-D847 WeakPolarHBondContact CD2-OD1 3.5Å; L823-Q850 HydrophobicContact CD1-CB 4.5Å; L823-A851 HydrophobicContact CB-CB 3.98Å; L823-Y854 HydrophobicContact CD1-CD2 4.11Å; L823-Y854 HydrophobicContact CD1-CE2 3.78Å
824K92.7Very high89.5Confident12 Ų1235.1 Ų35.15%0.05218%0.177CC..Hα-helixtrans-57.3-48.7176.1-179.2179.3-167.1159.40112.1A820 L821 T822 A827 M828 A851 F855 L875 K878 C879A820-K824 VanDerWaalsContact O-CB 3.3Å; A820-K824 WeakPolarHBondContact O-CB 3.33Å; A820-K824 PolarHBondContact O-N 3.35Å; L821-K824 PolarHBondContact O-N 3.42Å; T822-K824 VanDerWaalsContact C-N 3.32Å; T822-K824 PolarHBondContact O-N 2.83Å; K824-A827 PolarHBondContact O-N 2.82Å; K824-M828 HydrophobicContact CD-SD 4.49Å; K824-M828 HydrophobicContact CG-CE 4.28Å; K824-M828 HydrophobicContact CG-SD 3.91Å; K824-M828 WeakPolarHBondContact O-CB 3.39Å; K824-M828 WeakPolarHBondContact O-CG 3.38Å; K824-M828 PolarHBondContact O-N 3.13Å; K824-A851 HydrophobicContact CB-CB 4.39Å; K824-F855 HydrophobicContact CD-CE2 4.35Å; K824-L875 HydrophobicContact CD-CD2 4.31Å; K824-L875 PolarHBondContact NZ-O 2.92Å; K824-K878 WeakPolarHBondContact CE-O 3.01Å; K824-K878 PolarHBondContact NZ-O 2.74Å; K824-C879 VanDerWaalsContact CD-SG 3.54Å
825V91.7Very high89Confident31 Ų3138.3 Ų38.319%0.18819%0.194CC..Hα-helixtrans-68.6-40.7-178.3172.20000112F790 M795 L821 T822 L823 R829F790-V825 HydrophobicContact CE2-CB 4.33Å; F790-V825 HydrophobicContact CE2-CG2 4.11Å; F790-V825 HydrophobicContact CZ-CG2 4.19Å; M795-V825 HydrophobicContact CE-CG1 3.94Å; M795-V825 HydrophobicContact CG-CG1 4.17Å; M795-V825 HydrophobicContact SD-CB 4.5Å; M795-V825 HydrophobicContact SD-CG1 3.82Å; L821-V825 WeakPolarHBondContact O-CG2 3.4Å; L821-V825 PolarHBondContact O-N 2.96Å; L821-V825 VanDerWaalsContact O-N 3.08Å; T822-V825 PolarHBondContact O-N 2.99Å; L823-V825 PolarHBondContact O-N 2.94Å; V825-R829 WeakPolarHBondContact O-CB 3.37Å; V825-R829 VanDerWaalsContact O-CG 3.3Å; V825-R829 WeakPolarHBondContact O-CG 3.47Å; V825-R829 PolarHBondContact O-N 3.24Å
826V91.3Very high88.4Confident11 Ų1138.8 Ų38.87%0.06720%0.198CC..Hα-helixtrans-60-46.6173.3169.70000110.8M795 M796 T822 L823 T830M795-V826 HydrophobicContact CB-CG2 3.72Å; M796-V826 HydrophobicContact SD-CG1 3.89Å; M796-V826 HydrophobicContact SD-CG2 4.36Å; T822-V826 WeakPolarHBondContact O-CB 3.35Å; T822-V826 WeakPolarHBondContact O-CG2 3.4Å; T822-V826 PolarHBondContact O-N 2.88Å; L823-V826 PolarHBondContact O-N 3.39Å; V826-T830 PolarHBondContact O-N 2.82Å; V826-T830 VanDerWaalsContact O-N 3.09Å; V826-T830 PolarHBondContact O-OG1 3.11Å
827A91Very high88Confident0 Ų045.6 Ų45.60%022%0.223CC..Hα-helixtrans-68.1-41.9-179.600000112.6L823 K824 R829 T830 L831 A844 D847 L848L823-A827 VanDerWaalsContact O-CB 3.24Å; L823-A827 WeakPolarHBondContact O-CB 3.4Å; L823-A827 PolarHBondContact O-N 2.87Å; K824-A827 PolarHBondContact O-N 2.82Å; A827-R829 PolarHBondContact O-N 3.3Å; A827-T830 WeakPolarHBondContact CA-OG1 3.38Å; A827-T830 PolarHBondContact O-N 2.58Å; A827-T830 PolarHBondContact O-OG1 3.41Å; A827-T830 VanDerWaalsContact O-OG1 3.07Å; A827-L831 WeakPolarHBondContact O-CB 3.04Å; A827-L831 WeakPolarHBondContact O-CD1 3.28Å; A827-L831 WeakPolarHBondContact O-CG 3.43Å; A827-L831 PolarHBondContact O-N 3Å; A827-A844 HydrophobicContact CB-CB 4.08Å; A827-A844 WeakPolarHBondContact CB-O 3.4Å; A827-D847 HydrophobicContact CB-CB 4.28Å; A827-L848 HydrophobicContact CB-CB 3.77Å; A827-L848 HydrophobicContact CB-CD1 3.77Å; A827-L848 HydrophobicContact CB-CG 4.14Å
828M88.5Confident87.7Confident60 Ų6045.5 Ų45.530%0.29623%0.225SC..Hα-helixtrans-62.4-42.5176-77.2178.3159.900112.1K824 T830 L831 Q832 L848 K878 A882K824-M828 HydrophobicContact CD-SD 4.49Å; K824-M828 HydrophobicContact CG-CE 4.28Å; K824-M828 HydrophobicContact CG-SD 3.91Å; K824-M828 WeakPolarHBondContact O-CB 3.39Å; K824-M828 WeakPolarHBondContact O-CG 3.38Å; K824-M828 PolarHBondContact O-N 3.13Å; M828-T830 PolarHBondContact O-N 2.99Å; M828-L831 PolarHBondContact O-N 2.73Å; M828-Q832 WeakPolarHBondContact O-CB 3.32Å; M828-Q832 VanDerWaalsContact O-CG 3.25Å; M828-Q832 WeakPolarHBondContact O-CG 3.4Å; M828-Q832 PolarHBondContact O-N 3.4Å; M828-L848 HydrophobicContact CG-CD1 4.3Å; M828-K878 WeakPolarHBondContact CE-O 3.28Å; M828-A882 HydrophobicContact CE-CB 3.69Å
829R88Confident87.5Confident100 Ų10053.2 Ų53.238%0.37726%0.257SS..Hα-helixtrans-64.2-39.4176.5-72.7174.9-178.4-149.5-2.7113.2D793 V825 A827 N833D793-R829 IonicContact OD1-CZ 3.75Å; D793-R829 VanDerWaalsContact OD1-CZ 3.27Å; D793-R829 IonicContact OD1-NH1 3.64Å; D793-R829 PolarHBondContact OD1-NH1 3.36Å; D793-R829 IonicContact OD1-NH2 2.71Å; D793-R829 PolarHBondContact OD1-NH2 2.91Å; D793-R829 IonicContact OD2-CZ 2.95Å; D793-R829 IonicContact OD2-NH1 3.12Å; D793-R829 PolarHBondContact OD2-NH1 2.93Å; D793-R829 IonicContact OD2-NH2 3.13Å; V825-R829 WeakPolarHBondContact O-CB 3.37Å; V825-R829 VanDerWaalsContact O-CG 3.3Å; V825-R829 WeakPolarHBondContact O-CG 3.47Å; V825-R829 PolarHBondContact O-N 3.24Å; A827-R829 PolarHBondContact O-N 3.3Å; R829-N833 PolarHBondContact O-N 2.64Å; R829-N833 VanDerWaalsContact O-N 3.14Å
830T87.4Confident87.2Confident36 Ų3656.8 Ų56.822%0.22127%0.274CS..Hα-helixtrans-75.5-30.4178.643.50000112.8V826 A827 M828 A844V826-T830 PolarHBondContact O-N 2.82Å; V826-T830 VanDerWaalsContact O-N 3.09Å; V826-T830 PolarHBondContact O-OG1 3.11Å; A827-T830 WeakPolarHBondContact CA-OG1 3.38Å; A827-T830 PolarHBondContact O-N 2.58Å; A827-T830 PolarHBondContact O-OG1 3.41Å; A827-T830 VanDerWaalsContact O-OG1 3.07Å; M828-T830 PolarHBondContact O-N 2.99Å; T830-A844 VanDerWaalsContact OG1-CB 3.22Å; T830-A844 WeakPolarHBondContact OG1-CB 3.5Å
831L86.4Confident87Confident14 Ų1457.1 Ų57.17%0.07328%0.276CS..Hα-helixtrans-69.4-42.4169.9-70.8165.6000111.8A827 M828 N833 V841 A844 V845 L848 A886 H889A827-L831 WeakPolarHBondContact O-CB 3.04Å; A827-L831 WeakPolarHBondContact O-CD1 3.28Å; A827-L831 WeakPolarHBondContact O-CG 3.43Å; A827-L831 PolarHBondContact O-N 3Å; M828-L831 PolarHBondContact O-N 2.73Å; L831-N833 VanDerWaalsContact C-N 3.28Å; L831-N833 PolarHBondContact O-N 2.9Å; L831-V841 HydrophobicContact CD2-CG1 4.06Å; L831-A844 HydrophobicContact CG-CB 4.26Å; L831-V845 HydrophobicContact CD2-CG2 4.5Å; L831-L848 HydrophobicContact CD1-CD1 4.04Å; L831-A886 HydrophobicContact CD1-CB 3.97Å; L831-A886 HydrophobicContact CD2-CB 3.82Å; L831-H889 HydrophobicContact CD2-CB 3.66Å; L831-H889 PolarHBondContact O-CE1 3.07Å; L831-H889 PolarHBondContact O-ND1 3.29Å
832Q84.9Confident87Confident145 Ų14559 Ų5968%0.67829%0.285SS*.Hα-helixtrans-66.3-26.3177.2-74.6171.4-12.200113.5M828 T834M828-Q832 WeakPolarHBondContact O-CB 3.32Å; M828-Q832 VanDerWaalsContact O-CG 3.25Å; M828-Q832 WeakPolarHBondContact O-CG 3.4Å; M828-Q832 PolarHBondContact O-N 3.4Å; Q832-T834 PolarHBondContact O-N 3.37Å
833N83.7Confident86.8Confident82 Ų8261.4 Ų61.444%0.43930%0.303SS..  trans-70.5116.5-179-171.7-2.3000111.7R829 L831 N835 S836R829-N833 PolarHBondContact O-N 2.64Å; R829-N833 VanDerWaalsContact O-N 3.14Å; L831-N833 VanDerWaalsContact C-N 3.28Å; L831-N833 PolarHBondContact O-N 2.9Å; N833-N835 PolarHBondContact O-N 3.41Å; N833-N835 VanDerWaalsContact O-N 3.11Å; N833-N835 PolarHBondContact OD1-N 3.01Å; N833-S836 PolarHBondContact O-N 2.92Å
834T73.9Confident86.7Confident72 Ų7261.1 Ų61.144%0.44230%0.301SS..THydrogen-bonded Turntrans-63.7-18.5-174.848.30000115.1Q832 R892Q832-T834 PolarHBondContact O-N 3.37Å; T834-R892 PolarHBondContact O-NH2 3.39Å
835N78.2Confident86.6Confident128 Ų12861.7 Ų61.768%0.68431%0.306SS*.THydrogen-bonded Turntrans-113.65.3-170.2-63.8-29.9000114.1N833N833-N835 PolarHBondContact O-N 3.41Å; N833-N835 VanDerWaalsContact O-N 3.11Å; N833-N835 PolarHBondContact OD1-N 3.01Å
836S77.7Confident86.7Confident11 Ų1167.6 Ų67.68%0.07733%0.329CS..  trans-70.5140.9-176.9-99.70000113.1N833 E840N833-S836 PolarHBondContact O-N 2.92Å; S836-E840 VanDerWaalsContact CA-OE2 3.27Å; S836-E840 WeakPolarHBondContact CA-OE2 3.38Å; S836-E840 WeakPolarHBondContact CB-OE2 3.47Å; S836-E840 PolarHBondContact OG-OE2 3.47Å
837Y83Confident86.7Confident159 Ų15968.3 Ų68.362%0.62433%0.332SS*.  trans-73152.9-178.6-61.9-76.3000111.5K839 E840 V841Y837-K839 PolarHBondContact O-N 2.91Å; Y837-K839 VanDerWaalsContact O-N 3.1Å; Y837-E840 PolarHBondContact N-OE2 2.96Å; Y837-E840 VanDerWaalsContact N-OE2 3.08Å; Y837-E840 WeakPolarHBondContact O-CA 3.31Å; Y837-E840 WeakPolarHBondContact O-CB 3.42Å; Y837-E840 PolarHBondContact O-N 3.43Å; Y837-V841 PolarHBondContact O-N 2.85Å
838L85.8Confident86.8Confident26 Ų2668.3 Ų68.314%0.13633%0.332CS..Hα-helixtrans-53.7-36.9179.1-179.260.8000113E840 V841 L842 V890 A893 Q894 E897L838-E840 VanDerWaalsContact C-N 3.31Å; L838-E840 PolarHBondContact O-N 2.81Å; L838-V841 PolarHBondContact O-N 3.27Å; L838-L842 HydrophobicContact CD1-CD1 4.04Å; L838-L842 HydrophobicContact CD1-CD2 4.43Å; L838-L842 HydrophobicContact CD1-CG 3.88Å; L838-L842 HydrophobicContact CD2-CD1 4.43Å; L838-L842 HydrophobicContact CG-CD1 3.83Å; L838-L842 HydrophobicContact CG-CG 4.15Å; L838-L842 VanDerWaalsContact O-CB 3.31Å; L838-L842 WeakPolarHBondContact O-CB 3.49Å; L838-L842 VanDerWaalsContact O-CG 3.24Å; L838-L842 WeakPolarHBondContact O-CG 3.37Å; L838-L842 PolarHBondContact O-N 3.08Å; L838-V890 HydrophobicContact CD1-CG1 4.4Å; L838-A893 HydrophobicContact CB-CB 4.26Å; L838-A893 HydrophobicContact CD1-CB 3.83Å; L838-Q894 HydrophobicContact CD1-CG 3.75Å; L838-Q894 HydrophobicContact CD2-CG 3.78Å; L838-Q894 HydrophobicContact CG-CG 4.44Å; L838-E897 HydrophobicContact CB-CB 4.38Å; L838-E897 WeakPolarHBondContact CB-OE2 3.36Å; L838-E897 HydrophobicContact CD2-CB 4.49Å
839K87.4Confident87Confident182 Ų18270.8 Ų70.879%0.79134%0.342SS*.Hα-helixtrans-61.4-36.9174.6-172.7176.4-180179.70113Y837 S843Y837-K839 PolarHBondContact O-N 2.91Å; Y837-K839 VanDerWaalsContact O-N 3.1Å; K839-S843 WeakPolarHBondContact O-CB 3.45Å; K839-S843 PolarHBondContact O-N 3.19Å; K839-S843 VanDerWaalsContact O-N 3.14Å
840E87.7Confident87.2Confident76 Ų7669.5 Ų69.536%0.35534%0.34SS..Hα-helixtrans-71.1-48.6175.9-60.9172.4169.400110S836 Y837 L838 L842 S843 A844S836-E840 VanDerWaalsContact CA-OE2 3.27Å; S836-E840 WeakPolarHBondContact CA-OE2 3.38Å; S836-E840 WeakPolarHBondContact CB-OE2 3.47Å; S836-E840 PolarHBondContact OG-OE2 3.47Å; Y837-E840 PolarHBondContact N-OE2 2.96Å; Y837-E840 VanDerWaalsContact N-OE2 3.08Å; Y837-E840 WeakPolarHBondContact O-CA 3.31Å; Y837-E840 WeakPolarHBondContact O-CB 3.42Å; Y837-E840 PolarHBondContact O-N 3.43Å; L838-E840 VanDerWaalsContact C-N 3.31Å; L838-E840 PolarHBondContact O-N 2.81Å; E840-L842 PolarHBondContact O-N 2.96Å; E840-S843 CarbonylContact O-C 3.6Å; E840-S843 WeakPolarHBondContact O-CA 3.37Å; E840-S843 WeakPolarHBondContact O-CB 3.39Å; E840-S843 PolarHBondContact O-N 3.26Å; E840-S843 PolarHBondContact O-OG 3.34Å; E840-A844 PolarHBondContact O-N 2.93Å
841V88.7Confident87.5Confident7 Ų767.8 Ų67.84%0.04233%0.329CS..Hα-helixtrans-60.8-42.2178.9177.60000111.8L831 Y837 L838 S843 A844 V845 H889 V890 A893L831-V841 HydrophobicContact CD2-CG1 4.06Å; Y837-V841 PolarHBondContact O-N 2.85Å; L838-V841 PolarHBondContact O-N 3.27Å; V841-S843 VanDerWaalsContact C-N 3.29Å; V841-S843 PolarHBondContact O-N 2.72Å; V841-A844 WeakPolarHBondContact O-CB 3.5Å; V841-A844 PolarHBondContact O-N 3.24Å; V841-V845 WeakPolarHBondContact O-CG2 3.17Å; V841-V845 PolarHBondContact O-N 2.85Å; V841-H889 HydrophobicContact CG1-CB 4.4Å; V841-V890 HydrophobicContact CG1-CG2 3.86Å; V841-A893 HydrophobicContact CB-CB 4.13Å; V841-A893 HydrophobicContact CG1-CB 4.27Å; V841-A893 HydrophobicContact CG2-CB 3.94Å
842L90.9Very high87.8Confident75 Ų7570.1 Ų70.139%0.39334%0.34SS..Hα-helixtrans-66.7-28.9172.9-70.3174.5000112.8L838 E840 K846 V890L838-L842 HydrophobicContact CD1-CD1 4.04Å; L838-L842 HydrophobicContact CD1-CD2 4.43Å; L838-L842 HydrophobicContact CD1-CG 3.88Å; L838-L842 HydrophobicContact CD2-CD1 4.43Å; L838-L842 HydrophobicContact CG-CD1 3.83Å; L838-L842 HydrophobicContact CG-CG 4.15Å; L838-L842 VanDerWaalsContact O-CB 3.31Å; L838-L842 WeakPolarHBondContact O-CB 3.49Å; L838-L842 VanDerWaalsContact O-CG 3.24Å; L838-L842 WeakPolarHBondContact O-CG 3.37Å; L838-L842 PolarHBondContact O-N 3.08Å; E840-L842 PolarHBondContact O-N 2.96Å; L842-K846 WeakPolarHBondContact O-CG 3.17Å; L842-K846 PolarHBondContact O-N 2.81Å; L842-V890 HydrophobicContact CD2-CG1 4.18Å; L842-V890 HydrophobicContact CD2-CG2 4.32Å
843S90.7Very high88.1Confident56 Ų5669.2 Ų69.239%0.39233%0.333SS..Hα-helixtrans-74.2-37.9172.276.60000112K839 E840 V841 K846 D847K839-S843 WeakPolarHBondContact O-CB 3.45Å; K839-S843 PolarHBondContact O-N 3.19Å; K839-S843 VanDerWaalsContact O-N 3.14Å; E840-S843 CarbonylContact O-C 3.6Å; E840-S843 WeakPolarHBondContact O-CA 3.37Å; E840-S843 WeakPolarHBondContact O-CB 3.39Å; E840-S843 PolarHBondContact O-N 3.26Å; E840-S843 PolarHBondContact O-OG 3.34Å; V841-S843 VanDerWaalsContact C-N 3.29Å; V841-S843 PolarHBondContact O-N 2.72Å; S843-K846 WeakPolarHBondContact O-CB 3.06Å; S843-K846 PolarHBondContact O-N 3.47Å; S843-K846 VanDerWaalsContact O-N 3.16Å; S843-D847 PolarHBondContact O-N 2.82Å
844A90.9Very high88.4Confident0 Ų066 Ų660%032%0.315CS..Hα-helixtrans-62-43.517400000111.6A827 T830 L831 E840 V841 K846 D847 L848A827-A844 HydrophobicContact CB-CB 4.08Å; A827-A844 WeakPolarHBondContact CB-O 3.4Å; T830-A844 VanDerWaalsContact OG1-CB 3.22Å; T830-A844 WeakPolarHBondContact OG1-CB 3.5Å; L831-A844 HydrophobicContact CG-CB 4.26Å; E840-A844 PolarHBondContact O-N 2.93Å; V841-A844 WeakPolarHBondContact O-CB 3.5Å; V841-A844 PolarHBondContact O-N 3.24Å; A844-K846 VanDerWaalsContact C-N 3.31Å; A844-K846 PolarHBondContact O-N 3.47Å; A844-D847 PolarHBondContact O-N 3.03Å; A844-L848 VanDerWaalsContact O-CB 3.3Å; A844-L848 WeakPolarHBondContact O-CB 3.2Å; A844-L848 PolarHBondContact O-N 2.76Å
845V91.4Very high89.2Confident24 Ų2462.5 Ų62.515%0.14529%0.294CS..Hα-helixtrans-62.5-37173.9171.50000111.9L831 V841 K849 A886 V890L831-V845 HydrophobicContact CD2-CG2 4.5Å; V841-V845 WeakPolarHBondContact O-CG2 3.17Å; V841-V845 PolarHBondContact O-N 2.85Å; V845-K849 HydrophobicContact CG1-CD 4.43Å; V845-K849 WeakPolarHBondContact O-CB 3.25Å; V845-K849 WeakPolarHBondContact O-CG 3.13Å; V845-K849 PolarHBondContact O-N 3.43Å; V845-A886 HydrophobicContact CG2-CB 3.77Å; V845-V890 HydrophobicContact CG2-CG2 3.8Å
846K92.5Very high89.7Confident156 Ų15657.4 Ų57.468%0.67827%0.27SS*.Hα-helixtrans-68.1-46.9174.5-73.7173.5179.8-174.70111.8L842 S843 A844 L848 K849 Q850L842-K846 WeakPolarHBondContact O-CG 3.17Å; L842-K846 PolarHBondContact O-N 2.81Å; S843-K846 WeakPolarHBondContact O-CB 3.06Å; S843-K846 PolarHBondContact O-N 3.47Å; S843-K846 VanDerWaalsContact O-N 3.16Å; A844-K846 VanDerWaalsContact C-N 3.31Å; A844-K846 PolarHBondContact O-N 3.47Å; K846-L848 VanDerWaalsContact C-N 3.31Å; K846-L848 PolarHBondContact O-N 3.4Å; K846-K849 PolarHBondContact O-N 2.81Å; K846-Q850 WeakPolarHBondContact O-CB 3.47Å; K846-Q850 PolarHBondContact O-N 2.79Å
847D92.3Very high90.2Very high26 Ų2660.8 Ų60.814%0.13929%0.286CS..Hα-helixtrans-56.8-43.5175.1-81.7-11.5000111.5K799 L823 A827 S843 A844 Q850 A851K799-D847 IonicContact NZ-OD1 3.07Å; K799-D847 PolarHBondContact NZ-OD1 3.34Å; K799-D847 IonicContact NZ-OD2 3.02Å; K799-D847 PolarHBondContact NZ-OD2 3.15Å; L823-D847 HydrophobicContact CB-CB 4.47Å; L823-D847 HydrophobicContact CD2-CB 3.84Å; L823-D847 WeakPolarHBondContact CD2-OD1 3.5Å; A827-D847 HydrophobicContact CB-CB 4.28Å; S843-D847 PolarHBondContact O-N 2.82Å; A844-D847 PolarHBondContact O-N 3.03Å; D847-Q850 WeakPolarHBondContact O-CB 3.32Å; D847-Q850 PolarHBondContact O-N 2.93Å; D847-A851 PolarHBondContact O-N 3.11Å
848L92.6Very high90.3Very high0 Ų053.2 Ų53.20%026%0.257CS..Hα-helixtrans-74.9-37.6-176.6-151.7153.3000112.1A827 M828 L831 A844 K846 Q850 A851 E852 C879 A882 L883A827-L848 HydrophobicContact CB-CB 3.77Å; A827-L848 HydrophobicContact CB-CD1 3.77Å; A827-L848 HydrophobicContact CB-CG 4.14Å; M828-L848 HydrophobicContact CG-CD1 4.3Å; L831-L848 HydrophobicContact CD1-CD1 4.04Å; A844-L848 VanDerWaalsContact O-CB 3.3Å; A844-L848 WeakPolarHBondContact O-CB 3.2Å; A844-L848 PolarHBondContact O-N 2.76Å; K846-L848 VanDerWaalsContact C-N 3.31Å; K846-L848 PolarHBondContact O-N 3.4Å; L848-Q850 PolarHBondContact O-N 2.98Å; L848-A851 PolarHBondContact O-N 2.87Å; L848-E852 PolarHBondContact O-N 3.21Å; L848-C879 HydrophobicContact CD2-CB 3.75Å; L848-C879 WeakPolarHBondContact CD2-O 3.48Å; L848-A882 HydrophobicContact CD1-CB 3.79Å; L848-A882 HydrophobicContact CD2-CB 4.02Å; L848-L883 HydrophobicContact CB-CD2 4.08Å; L848-L883 HydrophobicContact CD2-CD2 3.63Å; L848-L883 HydrophobicContact CD2-CG 3.63Å; L848-L883 HydrophobicContact CG-CD2 4.45Å
849K93.4Very high90Very high112 Ų11252.8 Ų52.849%0.48726%0.256SS..Hα-helixtrans-61.2-33.7167.2-76-173.4178.6-167.60112.2V845 K846 K853 L883V845-K849 HydrophobicContact CG1-CD 4.43Å; V845-K849 WeakPolarHBondContact O-CB 3.25Å; V845-K849 WeakPolarHBondContact O-CG 3.13Å; V845-K849 PolarHBondContact O-N 3.43Å; K846-K849 PolarHBondContact O-N 2.81Å; K849-K853 WeakPolarHBondContact O-CG 3.18Å; K849-K853 PolarHBondContact O-N 3.1Å; K849-L883 HydrophobicContact CB-CD2 4.5Å; K849-L883 HydrophobicContact CG-CD1 3.68Å; K849-L883 HydrophobicContact CG-CD2 3.54Å; K849-L883 HydrophobicContact CG-CG 4.28Å
850Q92.6Very high89.6Confident72 Ų7249.7 Ų49.734%0.33624%0.244SC..Hα-helixtrans-75.3-37.3177.2-163.365.813.700111.6L823 K846 D847 L848 K853 Y854L823-Q850 HydrophobicContact CD1-CB 4.5Å; K846-Q850 WeakPolarHBondContact O-CB 3.47Å; K846-Q850 PolarHBondContact O-N 2.79Å; D847-Q850 WeakPolarHBondContact O-CB 3.32Å; D847-Q850 PolarHBondContact O-N 2.93Å; L848-Q850 PolarHBondContact O-N 2.98Å; Q850-K853 PolarHBondContact O-N 3.3Å; Q850-Y854 HydrophobicContact CG-CD2 4.4Å; Q850-Y854 HydrophobicContact CG-CE1 4.41Å; Q850-Y854 HydrophobicContact CG-CE2 3.68Å; Q850-Y854 PolarHBondContact NE2-OH 2.96Å; Q850-Y854 VanDerWaalsContact O-CD2 3.31Å; Q850-Y854 WeakPolarHBondContact O-CD2 3.27Å; Q850-Y854 PolarHBondContact O-N 3.23Å
851A92.8Very high88.5Confident0 Ų052.4 Ų52.40%026%0.261CS..Hα-helixtrans-62.7-44.5171.800000112.2A820 L823 K824 D847 L848 K853 Y854 F855A820-A851 HydrophobicContact CB-CB 4.46Å; A820-A851 WeakPolarHBondContact O-CB 3.38Å; L823-A851 HydrophobicContact CB-CB 3.98Å; K824-A851 HydrophobicContact CB-CB 4.39Å; D847-A851 PolarHBondContact O-N 3.11Å; L848-A851 PolarHBondContact O-N 2.87Å; A851-K853 PolarHBondContact O-N 3.48Å; A851-Y854 PolarHBondContact O-N 3.27Å; A851-F855 HydrophobicContact CB-CE2 4.37Å; A851-F855 WeakPolarHBondContact O-CD2 3.34Å; A851-F855 PolarHBondContact O-N 3.03Å
852E92.5Very high87.8Confident64 Ų6457.4 Ų57.430%0.29929%0.292SS..Hα-helixtrans-54.7-49.5173.1-173.9-160.8-171.100111.3L848 Y854 F855 A856 R876 C879 L883L848-E852 PolarHBondContact O-N 3.21Å; E852-Y854 VanDerWaalsContact C-N 3.34Å; E852-Y854 PolarHBondContact O-N 2.98Å; E852-F855 PolarHBondContact O-N 3.45Å; E852-A856 WeakPolarHBondContact O-CB 3.24Å; E852-A856 PolarHBondContact O-N 3.09Å; E852-R876 HydrophobicContact CG-CG 4.34Å; E852-C879 HydrophobicContact CB-CB 4Å; E852-C879 HydrophobicContact CG-CB 4.42Å; E852-L883 WeakPolarHBondContact OE2-CD1 3.44Å
853K91.6Very high86.8Confident125 Ų12556.4 Ų56.454%0.54328%0.284SS..Hα-helixtrans-59.8-40.2176.8-74.5177.4178-171.10113.1K849 Q850 A851 A856 I857K849-K853 WeakPolarHBondContact O-CG 3.18Å; K849-K853 PolarHBondContact O-N 3.1Å; Q850-K853 PolarHBondContact O-N 3.3Å; A851-K853 PolarHBondContact O-N 3.48Å; K853-A856 WeakPolarHBondContact O-CB 3.3Å; K853-A856 PolarHBondContact O-N 3.48Å; K853-I857 WeakPolarHBondContact O-CG1 3.23Å; K853-I857 PolarHBondContact O-N 3.34Å
854Y90.6Very high85.6Confident14 Ų1460.1 Ų60.16%0.05530%0.295CS..Hα-helixtrans-67.7-43.2175.8-64.9-33.7000112.1R806 L816 L819 A820 L823 Q850 A851 E852 A856 I857 L858R806-Y854 VanDerWaalsContact CZ-OH 3.26Å; R806-Y854 PolarHBondContact NH1-OH 3.49Å; R806-Y854 PolarHBondContact NH2-OH 2.95Å; L816-Y854 HydrophobicContact CD2-CD1 3.97Å; L816-Y854 HydrophobicContact CD2-CE1 4Å; L816-Y854 HydrophobicContact CD2-CG 4.47Å; L819-Y854 HydrophobicContact CD2-CE2 3.88Å; L819-Y854 HydrophobicContact CG-CE2 4.22Å; A820-Y854 HydrophobicContact CB-CD2 4.2Å; A820-Y854 HydrophobicContact CB-CG 4.48Å; L823-Y854 HydrophobicContact CD1-CD2 4.11Å; L823-Y854 HydrophobicContact CD1-CE2 3.78Å; Q850-Y854 HydrophobicContact CG-CD2 4.4Å; Q850-Y854 HydrophobicContact CG-CE1 4.41Å; Q850-Y854 HydrophobicContact CG-CE2 3.68Å; Q850-Y854 PolarHBondContact NE2-OH 2.96Å; Q850-Y854 VanDerWaalsContact O-CD2 3.31Å; Q850-Y854 WeakPolarHBondContact O-CD2 3.27Å; Q850-Y854 PolarHBondContact O-N 3.23Å; A851-Y854 PolarHBondContact O-N 3.27Å; E852-Y854 VanDerWaalsContact C-N 3.34Å; E852-Y854 PolarHBondContact O-N 2.98Å; Y854-A856 VanDerWaalsContact C-N 3.25Å; Y854-A856 PolarHBondContact O-N 3.36Å; Y854-I857 PolarHBondContact O-N 2.89Å; Y854-L858 WeakPolarHBondContact O-CB 3.4Å; Y854-L858 WeakPolarHBondContact O-CD1 3.43Å; Y854-L858 WeakPolarHBondContact O-CG 3.38Å; Y854-L858 PolarHBondContact O-N 3.48Å
855F90.9Very high84.4Confident0 Ų068.9 Ų68.90%034%0.336CS..Hα-helixtrans-66-27.8173.9-66.8-57.3000112.7Y817 A820 L821 K824 A851 E852 S859 L875 R876Y817-F855 HydrophobicContact CD2-CD1 4.4Å; Y817-F855 AromaticContact CD2-CE1 3.98Å; Y817-F855 HydrophobicContact CD2-CE1 3.98Å; Y817-F855 AromaticContact CE2-CE1 3.99Å; Y817-F855 HydrophobicContact CE2-CE1 3.99Å; A820-F855 HydrophobicContact CB-CD1 4.01Å; A820-F855 HydrophobicContact CB-CD2 3.97Å; A820-F855 HydrophobicContact CB-CE1 3.64Å; A820-F855 HydrophobicContact CB-CE2 3.61Å; A820-F855 HydrophobicContact CB-CG 4.16Å; A820-F855 HydrophobicContact CB-CZ 3.43Å; A820-F855 VanDerWaalsContact CB-CZ 3.43Å; L821-F855 HydrophobicContact CB-CZ 4.35Å; K824-F855 HydrophobicContact CD-CE2 4.35Å; A851-F855 HydrophobicContact CB-CE2 4.37Å; A851-F855 WeakPolarHBondContact O-CD2 3.34Å; A851-F855 PolarHBondContact O-N 3.03Å; E852-F855 PolarHBondContact O-N 3.45Å; F855-S859 VanDerWaalsContact O-CB 3.3Å; F855-S859 WeakPolarHBondContact O-CB 3.07Å; F855-S859 PolarHBondContact O-N 3.45Å; F855-S859 PolarHBondContact O-OG 2.98Å; F855-L875 HydrophobicContact CD1-CB 3.92Å; F855-L875 HydrophobicContact CD1-CD1 4.41Å; F855-L875 HydrophobicContact CD2-CB 4.07Å; F855-L875 HydrophobicContact CE1-CB 3.8Å; F855-L875 HydrophobicContact CE1-CD1 3.64Å; F855-L875 HydrophobicContact CE1-CG 4.34Å; F855-L875 HydrophobicContact CE2-CB 3.96Å; F855-L875 HydrophobicContact CG-CB 4.07Å; F855-L875 HydrophobicContact CZ-CB 3.81Å; F855-L875 HydrophobicContact CZ-CD1 3.83Å; F855-L875 HydrophobicContact CZ-CG 4.31Å; F855-R876 HydrophobicContact CB-CB 3.73Å; F855-R876 HydrophobicContact CB-CG 4.43Å
856A88.8Confident83.3Confident21 Ų2171.8 Ų71.817%0.17435%0.353CS..Hα-helixtrans-66.3-47.8170.400000112.2E852 K853 Y854 L858 S859E852-A856 WeakPolarHBondContact O-CB 3.24Å; E852-A856 PolarHBondContact O-N 3.09Å; K853-A856 WeakPolarHBondContact O-CB 3.3Å; K853-A856 PolarHBondContact O-N 3.48Å; Y854-A856 VanDerWaalsContact C-N 3.25Å; Y854-A856 PolarHBondContact O-N 3.36Å; A856-L858 VanDerWaalsContact C-N 3.29Å; A856-L858 PolarHBondContact O-N 3.09Å; A856-S859 WeakPolarHBondContact CA-OG 3.44Å; A856-S859 PolarHBondContact O-N 3.26Å; A856-S859 VanDerWaalsContact O-N 3.1Å; A856-S859 PolarHBondContact O-OG 2.87Å
857I86.5Confident82.4Confident81 Ų8164.7 Ų64.742%0.41532%0.323SS..Hα-helixtrans-60.2-40.1175.3-67.8162000111.2K853 Y854 S859 H860 F863K853-I857 WeakPolarHBondContact O-CG1 3.23Å; K853-I857 PolarHBondContact O-N 3.34Å; Y854-I857 PolarHBondContact O-N 2.89Å; I857-S859 VanDerWaalsContact C-N 3.27Å; I857-S859 PolarHBondContact O-N 2.95Å; I857-H860 PolarHBondContact O-CD2 2.87Å; I857-F863 HydrophobicContact CG2-CE2 4.41Å
858L84.9Confident81.8Confident1 Ų168 Ų681%0.00534%0.341CS..THydrogen-bonded Turntrans-79.6-5178.5-64.9165.4000113.9P813 L816 Y817 Y854 A856 H860 F863 V867 A872P813-L858 HydrophobicContact CB-CD2 3.57Å; L816-L858 HydrophobicContact CB-CD1 4.12Å; L816-L858 HydrophobicContact CB-CD2 4.43Å; Y817-L858 HydrophobicContact CD2-CD1 4.27Å; Y854-L858 WeakPolarHBondContact O-CB 3.4Å; Y854-L858 WeakPolarHBondContact O-CD1 3.43Å; Y854-L858 WeakPolarHBondContact O-CG 3.38Å; Y854-L858 PolarHBondContact O-N 3.48Å; A856-L858 VanDerWaalsContact C-N 3.29Å; A856-L858 PolarHBondContact O-N 3.09Å; L858-H860 VanDerWaalsContact C-N 3.32Å; L858-F863 HydrophobicContact CD2-CD2 4.36Å; L858-V867 HydrophobicContact CD2-CG2 4.34Å; L858-A872 HydrophobicContact CB-CB 4.4Å
859S81.1Confident81.2Confident17 Ų1769.7 Ų69.712%0.11935%0.349CS..THydrogen-bonded Turntrans-92.812.5172.263.40000113.4F855 A856 I857 R876F855-S859 VanDerWaalsContact O-CB 3.3Å; F855-S859 WeakPolarHBondContact O-CB 3.07Å; F855-S859 PolarHBondContact O-N 3.45Å; F855-S859 PolarHBondContact O-OG 2.98Å; A856-S859 WeakPolarHBondContact CA-OG 3.44Å; A856-S859 PolarHBondContact O-N 3.26Å; A856-S859 VanDerWaalsContact O-N 3.1Å; A856-S859 PolarHBondContact O-OG 2.87Å; I857-S859 VanDerWaalsContact C-N 3.27Å; I857-S859 PolarHBondContact O-N 2.95Å; S859-R876 PolarHBondContact OG-NH1 3.08Å
860H78.9Confident80.7Confident116 Ų11666.4 Ų66.454%0.53735%0.347SS..SBendtrans-96.4143.6168.7-67.5-67.8000111I857 L858 T862 F863I857-H860 PolarHBondContact O-CD2 2.87Å; L858-H860 VanDerWaalsContact C-N 3.32Å; H860-T862 PolarHBondContact O-N 3.42Å; H860-F863 PolarHBondContact O-N 3.45Å
861D65.1Low80.4Confident133 Ų13370 Ų7071%0.71136%0.358SS*.G310 helixtrans-58.2-19.3-169.7-43.5-33.5000114.5F863 E864D861-F863 PolarHBondContact O-N 3.13Å; D861-E864 PolarHBondContact O-N 3.42Å
862T72.9Confident80Confident113 Ų11370 Ų7069%0.69336%0.358SS*.G310 helixtrans-60.4-8-17953.40000115.4H860H860-T862 PolarHBondContact O-N 3.42Å
863F69.6Low79.8Confident53 Ų5369.1 Ų69.123%0.23236%0.357CS..G310 helixtrans-123.29.5-175.5-56.9-63.5000115P813 I857 L858 H860 D861 H865 V866 V867P813-F863 HydrophobicContact CB-CB 4.41Å; P813-F863 HydrophobicContact CB-CD1 3.68Å; P813-F863 HydrophobicContact CB-CE1 4.1Å; P813-F863 HydrophobicContact CB-CG 4.04Å; P813-F863 HydrophobicContact CG-CD1 3.78Å; P813-F863 HydrophobicContact CG-CE1 4.22Å; I857-F863 HydrophobicContact CG2-CE2 4.41Å; L858-F863 HydrophobicContact CD2-CD2 4.36Å; H860-F863 PolarHBondContact O-N 3.45Å; D861-F863 PolarHBondContact O-N 3.13Å; F863-H865 VanDerWaalsContact C-N 3.26Å; F863-H865 PolarHBondContact O-N 2.8Å; F863-H865 VanDerWaalsContact O-N 3.11Å; F863-V866 PolarHBondContact O-N 3.15Å; F863-V867 PolarHBondContact O-N 2.83Å
864E66.7Low79.7Confident135 Ų13565.9 Ų65.963%0.63135%0.348SS*.THydrogen-bonded Turntrans-49.7-40.6-173.8-169.9178.6-151.900114D861 V866 I869D861-E864 PolarHBondContact O-N 3.42Å; E864-V866 PolarHBondContact O-N 2.8Å; E864-I869 HydrophobicContact CB-CD1 3.79Å; E864-I869 HydrophobicContact CG-CD1 4.06Å
865H64.7Low79.7Confident183 Ų18366.5 Ų66.585%0.84735%0.352SS*.THydrogen-bonded Turntrans-73.5-7-178.8-55.6-26.2000115.1F863F863-H865 VanDerWaalsContact C-N 3.26Å; F863-H865 PolarHBondContact O-N 2.8Å; F863-H865 VanDerWaalsContact O-N 3.11Å
866V69.2Low79.6Confident85 Ų8571.4 Ų71.452%0.51537%0.37SS..THydrogen-bonded Turntrans-123.9-30.3-175.8-170.70000112.3P813 L814 F863 E864P813-V866 HydrophobicContact CG-CB 4.21Å; P813-V866 HydrophobicContact CG-CG1 3.97Å; L814-V866 HydrophobicContact CB-CG1 4.37Å; F863-V866 PolarHBondContact O-N 3.15Å; E864-V866 PolarHBondContact O-N 2.8Å
867V72.3Confident79.7Confident7 Ų776.1 Ų76.14%0.04239%0.389CS..SBendtrans-134.4125.8-178.4179.30000110P813 Y817 L858 F863 I869 A872P813-V867 HydrophobicContact CB-CG2 4.25Å; Y817-V867 HydrophobicContact CD2-CG1 3.5Å; Y817-V867 VanDerWaalsContact CD2-CG1 3.5Å; Y817-V867 HydrophobicContact CE2-CG1 3.87Å; Y817-V867 HydrophobicContact CG-CG1 4.22Å; L858-V867 HydrophobicContact CD2-CG2 4.34Å; F863-V867 PolarHBondContact O-N 2.83Å; V867-I869 PolarHBondContact O-N 3.28Å; V867-A872 HydrophobicContact CG1-CB 4.33Å
868D80.9Confident79.9Confident96 Ų9677 Ų7751%0.51339%0.389SS..  trans-57.7103.9169171.6-5.6000110.2G870 R871 A872D868-G870 PolarHBondContact OD1-N 3.02Å; D868-G870 VanDerWaalsContact OD1-N 3.16Å; D868-R871 HydrophobicContact CB-CB 3.97Å; D868-R871 PolarHBondContact O-N 2.86Å; D868-R871 PolarHBondContact OD1-N 3.12Å; D868-R871 WeakPolarHBondContact OD2-CB 3.29Å; D868-A872 PolarHBondContact O-N 3Å
869I79.6Confident80.1Confident35 Ų3577 Ų7718%0.17939%0.389CS..Hα-helixtrans-62.8-41.9-176.5-61.9175.6000110.7E864 V867 R871 A872 T873E864-I869 HydrophobicContact CB-CD1 3.79Å; E864-I869 HydrophobicContact CG-CD1 4.06Å; V867-I869 PolarHBondContact O-N 3.28Å; I869-R871 VanDerWaalsContact C-N 3.28Å; I869-R871 PolarHBondContact O-N 3.09Å; I869-A872 WeakPolarHBondContact O-CA 3.41Å; I869-A872 WeakPolarHBondContact O-CB 3.38Å; I869-A872 PolarHBondContact O-N 3.04Å; I869-T873 PolarHBondContact O-N 2.86Å; I869-T873 PolarHBondContact O-OG1 2.9Å
870G82.8Confident80.4Confident43 Ų4377.4 Ų77.444%0.44340%0.397SS..Hα-helixtrans-64-33.3178.500000112.6D868 T873 V874D868-G870 PolarHBondContact OD1-N 3.02Å; D868-G870 VanDerWaalsContact OD1-N 3.16Å; G870-T873 PolarHBondContact O-OG1 3.31Å; G870-V874 VanDerWaalsContact O-CG2 3.32Å; G870-V874 WeakPolarHBondContact O-CG2 3.33Å; G870-V874 PolarHBondContact O-N 2.91Å
871R85.8Confident81Confident147 Ų14777.4 Ų77.456%0.55540%0.397SS*.Hα-helixtrans-76.2-31.1170.8-172.3175.3-178.3164.62.6112.7Y817 D868 I869 L875Y817-R871 WeakPolarHBondContact OH-CD 3.16Å; Y817-R871 PolarHBondContact OH-NE 3.1Å; D868-R871 HydrophobicContact CB-CB 3.97Å; D868-R871 PolarHBondContact O-N 2.86Å; D868-R871 PolarHBondContact OD1-N 3.12Å; D868-R871 WeakPolarHBondContact OD2-CB 3.29Å; I869-R871 VanDerWaalsContact C-N 3.28Å; I869-R871 PolarHBondContact O-N 3.09Å; R871-L875 HydrophobicContact CG-CD1 4.22Å; R871-L875 VanDerWaalsContact O-CB 3.31Å; R871-L875 WeakPolarHBondContact O-CB 3.44Å; R871-L875 WeakPolarHBondContact O-CD1 3.33Å; R871-L875 WeakPolarHBondContact O-CG 3.27Å; R871-L875 PolarHBondContact O-N 3.37Å; R871-L875 VanDerWaalsContact O-N 3.07Å
872A85.5Confident82.1Confident0 Ų071.4 Ų71.40%037%0.366CS..Hα-helixtrans-67.6-43.7174.400000112L858 V867 D868 I869 L875 R876L858-A872 HydrophobicContact CB-CB 4.4Å; V867-A872 HydrophobicContact CG1-CB 4.33Å; D868-A872 PolarHBondContact O-N 3Å; I869-A872 WeakPolarHBondContact O-CA 3.41Å; I869-A872 WeakPolarHBondContact O-CB 3.38Å; I869-A872 PolarHBondContact O-N 3.04Å; A872-L875 PolarHBondContact O-N 3.22Å; A872-R876 PolarHBondContact O-N 3.18Å
873T87.2Confident82.9Confident47 Ų4767.5 Ų67.529%0.28834%0.341SS..Hα-helixtrans-62.7-49.717652.60000111.7I869 G870 L875 R876 E877I869-T873 PolarHBondContact O-N 2.86Å; I869-T873 PolarHBondContact O-OG1 2.9Å; G870-T873 PolarHBondContact O-OG1 3.31Å; T873-L875 PolarHBondContact O-N 3.38Å; T873-R876 WeakPolarHBondContact O-CA 3.39Å; T873-R876 VanDerWaalsContact O-CB 3.28Å; T873-R876 WeakPolarHBondContact O-CB 3.42Å; T873-R876 PolarHBondContact O-N 3.41Å; T873-E877 WeakPolarHBondContact O-CG 3.42Å; T873-E877 PolarHBondContact O-N 3.33Å
874V90.5Very high83.7Confident57 Ų5768.2 Ų68.235%0.34536%0.356SS..Hα-helixtrans-61.2-29.5176171.60000112.2G870 K878G870-V874 VanDerWaalsContact O-CG2 3.32Å; G870-V874 WeakPolarHBondContact O-CG2 3.33Å; G870-V874 PolarHBondContact O-N 2.91Å; V874-K878 HydrophobicContact CG1-CD 4.03Å; V874-K878 VanDerWaalsContact CG1-NZ 3.31Å; V874-K878 WeakPolarHBondContact O-CB 3.22Å; V874-K878 WeakPolarHBondContact O-CD 3.47Å; V874-K878 WeakPolarHBondContact O-CG 3.48Å; V874-K878 PolarHBondContact O-N 3.5Å
875L89.5Confident84.7Confident26 Ų2667.8 Ų67.814%0.13635%0.354CS..Hα-helixtrans-75.4-34173.1-76.9172.6000113.1Y817 L821 K824 F855 R871 A872 T873 C879Y817-L875 HydrophobicContact CE2-CD1 3.96Å; Y817-L875 WeakPolarHBondContact OH-CD1 3.43Å; L821-L875 HydrophobicContact CD1-CD1 4.33Å; L821-L875 HydrophobicContact CD1-CD2 4.3Å; K824-L875 HydrophobicContact CD-CD2 4.31Å; K824-L875 PolarHBondContact NZ-O 2.92Å; F855-L875 HydrophobicContact CD1-CB 3.92Å; F855-L875 HydrophobicContact CD1-CD1 4.41Å; F855-L875 HydrophobicContact CD2-CB 4.07Å; F855-L875 HydrophobicContact CE1-CB 3.8Å; F855-L875 HydrophobicContact CE1-CD1 3.64Å; F855-L875 HydrophobicContact CE1-CG 4.34Å; F855-L875 HydrophobicContact CE2-CB 3.96Å; F855-L875 HydrophobicContact CG-CB 4.07Å; F855-L875 HydrophobicContact CZ-CB 3.81Å; F855-L875 HydrophobicContact CZ-CD1 3.83Å; F855-L875 HydrophobicContact CZ-CG 4.31Å; R871-L875 HydrophobicContact CG-CD1 4.22Å; R871-L875 VanDerWaalsContact O-CB 3.31Å; R871-L875 WeakPolarHBondContact O-CB 3.44Å; R871-L875 WeakPolarHBondContact O-CD1 3.33Å; R871-L875 WeakPolarHBondContact O-CG 3.27Å; R871-L875 PolarHBondContact O-N 3.37Å; R871-L875 VanDerWaalsContact O-N 3.07Å; A872-L875 PolarHBondContact O-N 3.22Å; T873-L875 PolarHBondContact O-N 3.38Å; L875-C879 PolarHBondContact O-N 3.47Å; L875-C879 PolarHBondContact O-SG 3.41Å; L875-C879 VanDerWaalsContact O-SG 3.32Å
876R89.4Confident85.7Confident104 Ų10459.2 Ų59.239%0.39232%0.315SS..Hα-helixtrans-64.5-49.5172.6-178.7-174.6171.1178.7-9111.8E852 F855 S859 A872 T873 K878 C879 G880E852-R876 HydrophobicContact CG-CG 4.34Å; F855-R876 HydrophobicContact CB-CB 3.73Å; F855-R876 HydrophobicContact CB-CG 4.43Å; S859-R876 PolarHBondContact OG-NH1 3.08Å; A872-R876 PolarHBondContact O-N 3.18Å; T873-R876 WeakPolarHBondContact O-CA 3.39Å; T873-R876 VanDerWaalsContact O-CB 3.28Å; T873-R876 WeakPolarHBondContact O-CB 3.42Å; T873-R876 PolarHBondContact O-N 3.41Å; R876-K878 PolarHBondContact O-N 2.96Å; R876-C879 WeakPolarHBondContact O-CA 3.29Å; R876-C879 VanDerWaalsContact O-CB 3.29Å; R876-C879 WeakPolarHBondContact O-CB 3.47Å; R876-C879 PolarHBondContact O-N 2.91Å; R876-G880 PolarHBondContact O-N 2.9Å
877E90.6Very high86.4Confident120 Ų12059 Ų5956%0.56132%0.318SS*.Hα-helixtrans-56.8-51.2177.7-69.3170159.700110.9T873 C879 G880 E881T873-E877 WeakPolarHBondContact O-CG 3.42Å; T873-E877 PolarHBondContact O-N 3.33Å; E877-C879 PolarHBondContact O-N 3.47Å; E877-G880 WeakPolarHBondContact O-CA 3.37Å; E877-G880 PolarHBondContact O-N 2.81Å; E877-E881 PolarHBondContact O-N 3.14Å
878K90.1Very high87.1Confident99 Ų9964.7 Ų64.743%0.4334%0.343SS..Hα-helixtrans-66.9-3.4174.5-69.3169.4-176.3167.50114.2K824 M828 V874 R876 E881K824-K878 WeakPolarHBondContact CE-O 3.01Å; K824-K878 PolarHBondContact NZ-O 2.74Å; M828-K878 WeakPolarHBondContact CE-O 3.28Å; V874-K878 HydrophobicContact CG1-CD 4.03Å; V874-K878 VanDerWaalsContact CG1-NZ 3.31Å; V874-K878 WeakPolarHBondContact O-CB 3.22Å; V874-K878 WeakPolarHBondContact O-CD 3.47Å; V874-K878 WeakPolarHBondContact O-CG 3.48Å; V874-K878 PolarHBondContact O-N 3.5Å; R876-K878 PolarHBondContact O-N 2.96Å; K878-E881 WeakPolarHBondContact CA-OE2 3.15Å; K878-E881 WeakPolarHBondContact CG-OE2 3.46Å
879C88.7Confident87.4Confident0 Ų062.4 Ų62.40%033%0.33CS..Hα-helixtrans-92.3-43.8163.5-75.60000110.7K824 L848 E852 L875 R876 E877 E881 A882 L883K824-C879 VanDerWaalsContact CD-SG 3.54Å; L848-C879 HydrophobicContact CD2-CB 3.75Å; L848-C879 WeakPolarHBondContact CD2-O 3.48Å; E852-C879 HydrophobicContact CB-CB 4Å; E852-C879 HydrophobicContact CG-CB 4.42Å; L875-C879 PolarHBondContact O-N 3.47Å; L875-C879 PolarHBondContact O-SG 3.41Å; L875-C879 VanDerWaalsContact O-SG 3.32Å; R876-C879 WeakPolarHBondContact O-CA 3.29Å; R876-C879 VanDerWaalsContact O-CB 3.29Å; R876-C879 WeakPolarHBondContact O-CB 3.47Å; R876-C879 PolarHBondContact O-N 2.91Å; E877-C879 PolarHBondContact O-N 3.47Å; C879-E881 PolarHBondContact O-N 3.22Å; C879-A882 CarbonylContact O-C 3.55Å; C879-A882 PolarHBondContact O-N 3.33Å; C879-A882 VanDerWaalsContact O-N 3.12Å; C879-L883 WeakPolarHBondContact O-CG 3.47Å; C879-L883 PolarHBondContact O-N 3.08Å
880G89.1Confident87.8Confident27 Ų2761.9 Ų61.928%0.27833%0.328SS..Hα-helixtrans-55.3-46.4173.200000113.2R876 E877 A882 L883 A884R876-G880 PolarHBondContact O-N 2.9Å; E877-G880 WeakPolarHBondContact O-CA 3.37Å; E877-G880 PolarHBondContact O-N 2.81Å; G880-A882 VanDerWaalsContact C-N 3.33Å; G880-A882 PolarHBondContact O-N 2.83Å; G880-L883 WeakPolarHBondContact O-CB 3.38Å; G880-L883 PolarHBondContact O-N 3.39Å; G880-A884 PolarHBondContact O-N 3.47Å
881E89.8Confident88Confident116 Ų11667.4 Ų67.454%0.54234%0.335SS..Hα-helixtrans-54.4-47.6172.2-67.8175.615400112E877 K878 C879 L883 A884 Q885E877-E881 PolarHBondContact O-N 3.14Å; K878-E881 WeakPolarHBondContact CA-OE2 3.15Å; K878-E881 WeakPolarHBondContact CG-OE2 3.46Å; C879-E881 PolarHBondContact O-N 3.22Å; E881-L883 VanDerWaalsContact C-N 3.32Å; E881-L883 PolarHBondContact O-N 3.36Å; E881-A884 WeakPolarHBondContact O-CB 3.19Å; E881-A884 PolarHBondContact O-N 3.22Å; E881-Q885 WeakPolarHBondContact O-CG 3.22Å; E881-Q885 PolarHBondContact O-N 2.77Å
882A88.9Confident88Confident7 Ų765.2 Ų65.26%0.05833%0.327CS..Hα-helixtrans-69.7-28.2-179.200000112.5M828 L848 C879 G880 A886M828-A882 HydrophobicContact CE-CB 3.69Å; L848-A882 HydrophobicContact CD1-CB 3.79Å; L848-A882 HydrophobicContact CD2-CB 4.02Å; C879-A882 CarbonylContact O-C 3.55Å; C879-A882 PolarHBondContact O-N 3.33Å; C879-A882 VanDerWaalsContact O-N 3.12Å; G880-A882 VanDerWaalsContact C-N 3.33Å; G880-A882 PolarHBondContact O-N 2.83Å; A882-A886 WeakPolarHBondContact O-CB 3.46Å; A882-A886 PolarHBondContact O-N 3.17Å
883L89.4Confident88.1Confident31 Ų3165.3 Ų65.316%0.16233%0.328CS..Hα-helixtrans-69.6-41170.6-70.2179.7000112.3L848 K849 E852 C879 G880 E881 A886L848-L883 HydrophobicContact CB-CD2 4.08Å; L848-L883 HydrophobicContact CD2-CD2 3.63Å; L848-L883 HydrophobicContact CD2-CG 3.63Å; L848-L883 HydrophobicContact CG-CD2 4.45Å; K849-L883 HydrophobicContact CB-CD2 4.5Å; K849-L883 HydrophobicContact CG-CD1 3.68Å; K849-L883 HydrophobicContact CG-CD2 3.54Å; K849-L883 HydrophobicContact CG-CG 4.28Å; E852-L883 WeakPolarHBondContact OE2-CD1 3.44Å; C879-L883 WeakPolarHBondContact O-CG 3.47Å; C879-L883 PolarHBondContact O-N 3.08Å; G880-L883 WeakPolarHBondContact O-CB 3.38Å; G880-L883 PolarHBondContact O-N 3.39Å; E881-L883 VanDerWaalsContact C-N 3.32Å; E881-L883 PolarHBondContact O-N 3.36Å; L883-A886 PolarHBondContact O-N 3.21Å
884A87.9Confident88.1Confident68 Ų6867.2 Ų67.256%0.56233%0.333SS*.Hα-helixtrans-60.7-48.4174.600000110.4G880 E881 A886 S887G880-A884 PolarHBondContact O-N 3.47Å; E881-A884 WeakPolarHBondContact O-CB 3.19Å; E881-A884 PolarHBondContact O-N 3.22Å; A884-A886 PolarHBondContact O-N 2.92Å; A884-S887 WeakPolarHBondContact O-CB 3.43Å; A884-S887 PolarHBondContact O-N 3.23Å; A884-S887 PolarHBondContact O-OG 3.17Å
885Q85.8Confident88Confident125 Ų12569 Ų6958%0.58434%0.338SS*.Hα-helixtrans-61.6-39.6174.7-68.31759.900112.5E881 S887 H888 H889E881-Q885 WeakPolarHBondContact O-CG 3.22Å; E881-Q885 PolarHBondContact O-N 2.77Å; Q885-S887 PolarHBondContact O-N 3.41Å; Q885-H888 WeakPolarHBondContact O-CB 3.44Å; Q885-H888 PolarHBondContact O-N 3.29Å; Q885-H889 PolarHBondContact O-CD2 3.02Å
886A86.3Confident87.8Confident3 Ų371 Ų713%0.02535%0.349CS..Hα-helixtrans-61.1-19.1-177.100000114.2L831 V845 A882 L883 A884 H888 H889 V890L831-A886 HydrophobicContact CD1-CB 3.97Å; L831-A886 HydrophobicContact CD2-CB 3.82Å; V845-A886 HydrophobicContact CG2-CB 3.77Å; A882-A886 WeakPolarHBondContact O-CB 3.46Å; A882-A886 PolarHBondContact O-N 3.17Å; L883-A886 PolarHBondContact O-N 3.21Å; A884-A886 PolarHBondContact O-N 2.92Å; A886-H888 VanDerWaalsContact C-N 3.29Å; A886-H888 PolarHBondContact O-N 3.14Å; A886-H889 PolarHBondContact O-N 2.75Å; A886-V890 WeakPolarHBondContact O-CG2 3.22Å; A886-V890 PolarHBondContact O-N 2.68Å
887S85.1Confident87.6Confident82 Ų8269.3 Ų69.357%0.57335%0.345SS*.Hα-helixtrans-55.3-43.4170.1660000112.5A884 Q885 V890 R891A884-S887 WeakPolarHBondContact O-CB 3.43Å; A884-S887 PolarHBondContact O-N 3.23Å; A884-S887 PolarHBondContact O-OG 3.17Å; Q885-S887 PolarHBondContact O-N 3.41Å; S887-V890 PolarHBondContact O-N 2.88Å; S887-R891 WeakPolarHBondContact O-CB 3.01Å; S887-R891 PolarHBondContact O-N 3.06Å
888H86.7Confident87.4Confident125 Ų12568.2 Ų68.258%0.57934%0.343SS*.Hα-helixtrans-65.7-40.7175.5172.8-107.8000111.8Q885 A886 R891 R892Q885-H888 WeakPolarHBondContact O-CB 3.44Å; Q885-H888 PolarHBondContact O-N 3.29Å; A886-H888 VanDerWaalsContact C-N 3.29Å; A886-H888 PolarHBondContact O-N 3.14Å; H888-R891 PolarHBondContact O-N 3.41Å; H888-R892 WeakPolarHBondContact O-CB 3.27Å; H888-R892 PolarHBondContact O-N 3.22Å
889H86Confident87.3Confident49 Ų4967.2 Ų67.223%0.22735%0.346CS..Hα-helixtrans-68.3-38.4177.5-67.2-100.7000112.4L831 V841 Q885 A886 A893L831-H889 HydrophobicContact CD2-CB 3.66Å; L831-H889 PolarHBondContact O-CE1 3.07Å; L831-H889 PolarHBondContact O-ND1 3.29Å; V841-H889 HydrophobicContact CG1-CB 4.4Å; Q885-H889 PolarHBondContact O-CD2 3.02Å; A886-H889 PolarHBondContact O-N 2.75Å; H889-A893 VanDerWaalsContact O-CB 3.28Å; H889-A893 WeakPolarHBondContact O-CB 3.41Å; H889-A893 PolarHBondContact O-N 3.11Å
890V87.8Confident87.1Confident23 Ų2370.7 Ų70.714%0.13936%0.363CS..Hα-helixtrans-63.5-47.4172.6170.50000110.5L838 V841 L842 V845 A886 S887 A893 Q894L838-V890 HydrophobicContact CD1-CG1 4.4Å; V841-V890 HydrophobicContact CG1-CG2 3.86Å; L842-V890 HydrophobicContact CD2-CG1 4.18Å; L842-V890 HydrophobicContact CD2-CG2 4.32Å; V845-V890 HydrophobicContact CG2-CG2 3.8Å; A886-V890 WeakPolarHBondContact O-CG2 3.22Å; A886-V890 PolarHBondContact O-N 2.68Å; S887-V890 PolarHBondContact O-N 2.88Å; V890-A893 CarbonylContact O-C 3.37Å; V890-A893 PolarHBondContact O-N 3.35Å; V890-Q894 HydrophobicContact CG1-CG 4.41Å; V890-Q894 WeakPolarHBondContact O-CG 3.37Å; V890-Q894 PolarHBondContact O-N 3.32Å
891R87.4Confident86.9Confident159 Ų15972.2 Ų72.260%0.636%0.363SS*.Hα-helixtrans-58.9-49.1177.1178.2175.5175.6157.73.6111.7S887 H888 A893 Q894 E895S887-R891 WeakPolarHBondContact O-CB 3.01Å; S887-R891 PolarHBondContact O-N 3.06Å; H888-R891 PolarHBondContact O-N 3.41Å; R891-A893 VanDerWaalsContact C-N 3.3Å; R891-A893 PolarHBondContact O-N 3.08Å; R891-Q894 CarbonylContact O-C 3.59Å; R891-Q894 WeakPolarHBondContact O-CB 3.46Å; R891-Q894 PolarHBondContact O-N 3.45Å; R891-Q894 VanDerWaalsContact O-N 3.13Å; R891-E895 WeakPolarHBondContact CG-OE1 3.47Å; R891-E895 IonicContact CZ-OE1 3.61Å; R891-E895 IonicContact NE-OE1 2.8Å; R891-E895 PolarHBondContact NE-OE1 3.31Å; R891-E895 IonicContact NH2-OE1 3.5Å; R891-E895 WeakPolarHBondContact O-CG 3.39Å; R891-E895 PolarHBondContact O-N 3.09Å
892R86.3Confident86.7Confident101 Ų10168.8 Ų68.838%0.38135%0.354SS..Hα-helixtrans-56.1-42.7173.8173.8-174.5165.5147.16.3112.1T834 H888 E895 L896T834-R892 PolarHBondContact O-NH2 3.39Å; H888-R892 WeakPolarHBondContact O-CB 3.27Å; H888-R892 PolarHBondContact O-N 3.22Å; R892-E895 PolarHBondContact O-N 3.14Å; R892-L896 HydrophobicContact CG-CD1 4.14Å; R892-L896 WeakPolarHBondContact O-CB 3.24Å; R892-L896 WeakPolarHBondContact O-CG 3.5Å; R892-L896 PolarHBondContact O-N 3.23Å
893A86.8Confident86.6Confident3 Ų371.6 Ų71.63%0.02537%0.371CS..Hα-helixtrans-71-30.7178.800000112.7L838 V841 H889 V890 R891 E897L838-A893 HydrophobicContact CB-CB 4.26Å; L838-A893 HydrophobicContact CD1-CB 3.83Å; V841-A893 HydrophobicContact CB-CB 4.13Å; V841-A893 HydrophobicContact CG1-CB 4.27Å; V841-A893 HydrophobicContact CG2-CB 3.94Å; H889-A893 VanDerWaalsContact O-CB 3.28Å; H889-A893 WeakPolarHBondContact O-CB 3.41Å; H889-A893 PolarHBondContact O-N 3.11Å; V890-A893 CarbonylContact O-C 3.37Å; V890-A893 PolarHBondContact O-N 3.35Å; R891-A893 VanDerWaalsContact C-N 3.3Å; R891-A893 PolarHBondContact O-N 3.08Å; A893-E897 WeakPolarHBondContact O-CB 3.34Å; A893-E897 PolarHBondContact O-N 3.43Å
894Q88.5Confident86.3Confident86 Ų8677 Ų7740%0.40239%0.389SS..Hα-helixtrans-69.1-40.5169.2-72.3171-25.900111.5L838 V890 R891 E897 N898L838-Q894 HydrophobicContact CD1-CG 3.75Å; L838-Q894 HydrophobicContact CD2-CG 3.78Å; L838-Q894 HydrophobicContact CG-CG 4.44Å; V890-Q894 HydrophobicContact CG1-CG 4.41Å; V890-Q894 WeakPolarHBondContact O-CG 3.37Å; V890-Q894 PolarHBondContact O-N 3.32Å; R891-Q894 CarbonylContact O-C 3.59Å; R891-Q894 WeakPolarHBondContact O-CB 3.46Å; R891-Q894 PolarHBondContact O-N 3.45Å; R891-Q894 VanDerWaalsContact O-N 3.13Å; Q894-E897 PolarHBondContact O-N 3.17Å; Q894-N898 WeakPolarHBondContact O-CB 3.12Å; Q894-N898 PolarHBondContact O-N 3.37Å; Q894-N898 PolarHBondContact O-ND2 3.01Å
895E87.3Confident86.2Confident94 Ų9480.5 Ų80.544%0.43939%0.388SS..Hα-helixtrans-66.3-38.6175.5-71.4163.6179.100111.3R891 R892 T899R891-E895 WeakPolarHBondContact CG-OE1 3.47Å; R891-E895 IonicContact CZ-OE1 3.61Å; R891-E895 IonicContact NE-OE1 2.8Å; R891-E895 PolarHBondContact NE-OE1 3.31Å; R891-E895 IonicContact NH2-OE1 3.5Å; R891-E895 WeakPolarHBondContact O-CG 3.39Å; R891-E895 PolarHBondContact O-N 3.09Å; R892-E895 PolarHBondContact O-N 3.14Å; E895-T899 WeakPolarHBondContact O-CB 3.3Å; E895-T899 WeakPolarHBondContact O-CG2 3.34Å; E895-T899 PolarHBondContact O-N 3.02Å; E895-T899 PolarHBondContact O-OG1 3.25Å
896L85.5Confident86.1Confident69 Ų6980.1 Ų80.136%0.36139%0.386SS..Hα-helixtrans-66.6-42.9171.1-74.2168000112.5R892 T899 I900R892-L896 HydrophobicContact CG-CD1 4.14Å; R892-L896 WeakPolarHBondContact O-CB 3.24Å; R892-L896 WeakPolarHBondContact O-CG 3.5Å; R892-L896 PolarHBondContact O-N 3.23Å; L896-T899 WeakPolarHBondContact CA-OG1 3.44Å; L896-T899 PolarHBondContact O-OG1 3.04Å; L896-I900 WeakPolarHBondContact O-CB 3.23Å; L896-I900 WeakPolarHBondContact O-CD1 3.35Å; L896-I900 WeakPolarHBondContact O-CG1 3.27Å; L896-I900 PolarHBondContact O-N 3.13Å
897E85.8Confident85.8Confident68 Ų6886 Ų8632%0.31841%0.413SS..Hα-helixtrans-68.9-40.4175.2-177.4161.8176.900111.7L838 A893 Q894 T899 I900 Q901L838-E897 HydrophobicContact CB-CB 4.38Å; L838-E897 WeakPolarHBondContact CB-OE2 3.36Å; L838-E897 HydrophobicContact CD2-CB 4.49Å; A893-E897 WeakPolarHBondContact O-CB 3.34Å; A893-E897 PolarHBondContact O-N 3.43Å; Q894-E897 PolarHBondContact O-N 3.17Å; E897-T899 PolarHBondContact O-N 3.25Å; E897-I900 CarbonylContact O-C 3.52Å; E897-I900 PolarHBondContact O-N 3.39Å; E897-Q901 HydrophobicContact CG-CG 4.07Å; E897-Q901 WeakPolarHBondContact O-CB 3.41Å; E897-Q901 WeakPolarHBondContact O-CG 3.37Å; E897-Q901 PolarHBondContact O-N 3.13Å; E897-Q901 PolarHBondContact OE1-NE2 2.93Å
898N87.4Confident85.7Confident97 Ų9788.2 Ų88.252%0.51941%0.414SS..Hα-helixtrans-63-40.2177.6-74.3-19.5000111.8Q894 Q901 A902Q894-N898 WeakPolarHBondContact O-CB 3.12Å; Q894-N898 PolarHBondContact O-N 3.37Å; Q894-N898 PolarHBondContact O-ND2 3.01Å; N898-Q901 PolarHBondContact O-N 2.88Å; N898-A902 VanDerWaalsContact O-CB 3.25Å; N898-A902 WeakPolarHBondContact O-CB 3.44Å; N898-A902 PolarHBondContact O-N 2.91Å
899T86.1Confident85.6Confident79 Ų7987.8 Ų87.849%0.48541%0.413SS..Hα-helixtrans-69-40.4173.647.80000111.9E895 L896 E897 Q901 A902 V903E895-T899 WeakPolarHBondContact O-CB 3.3Å; E895-T899 WeakPolarHBondContact O-CG2 3.34Å; E895-T899 PolarHBondContact O-N 3.02Å; E895-T899 PolarHBondContact O-OG1 3.25Å; L896-T899 WeakPolarHBondContact CA-OG1 3.44Å; L896-T899 PolarHBondContact O-OG1 3.04Å; E897-T899 PolarHBondContact O-N 3.25Å; T899-Q901 VanDerWaalsContact C-N 3.33Å; T899-Q901 PolarHBondContact O-N 3.31Å; T899-A902 PolarHBondContact O-N 3.08Å; T899-V903 WeakPolarHBondContact O-CB 3.27Å; T899-V903 WeakPolarHBondContact O-CG2 3.46Å; T899-V903 PolarHBondContact O-N 3.3Å
900I84.9Confident85.5Confident72 Ų7289.9 Ų89.937%0.36943%0.429SS..Hα-helixtrans-62.7-38172.1-70.4166000111.7L896 E897 R904L896-I900 WeakPolarHBondContact O-CB 3.23Å; L896-I900 WeakPolarHBondContact O-CD1 3.35Å; L896-I900 WeakPolarHBondContact O-CG1 3.27Å; L896-I900 PolarHBondContact O-N 3.13Å; E897-I900 CarbonylContact O-C 3.52Å; E897-I900 PolarHBondContact O-N 3.39Å; I900-R904 WeakPolarHBondContact O-CB 3.41Å; I900-R904 WeakPolarHBondContact O-CG 3.39Å; I900-R904 PolarHBondContact O-N 2.98Å; I900-R904 VanDerWaalsContact O-N 3.11Å
901Q84.5Confident85.3Confident60 Ų6096.8 Ų96.828%0.2845%0.452SS..Hα-helixtrans-72.8-39.9175.9-75.1-167.326.200112E897 N898 T899 R904 R905E897-Q901 HydrophobicContact CG-CG 4.07Å; E897-Q901 WeakPolarHBondContact O-CB 3.41Å; E897-Q901 WeakPolarHBondContact O-CG 3.37Å; E897-Q901 PolarHBondContact O-N 3.13Å; E897-Q901 PolarHBondContact OE1-NE2 2.93Å; N898-Q901 PolarHBondContact O-N 2.88Å; T899-Q901 VanDerWaalsContact C-N 3.33Å; T899-Q901 PolarHBondContact O-N 3.31Å; Q901-R904 WeakPolarHBondContact O-CB 3.43Å; Q901-R904 PolarHBondContact O-N 2.88Å; Q901-R905 WeakPolarHBondContact O-CG 3.46Å; Q901-R905 PolarHBondContact O-N 3.49Å
902A86.8Confident85.3Confident43 Ų4396.5 Ų96.536%0.35545%0.451SS..Hα-helixtrans-61.7-50.4175.500000110.6N898 T899 R904 R905 E906N898-A902 VanDerWaalsContact O-CB 3.25Å; N898-A902 WeakPolarHBondContact O-CB 3.44Å; N898-A902 PolarHBondContact O-N 2.91Å; T899-A902 PolarHBondContact O-N 3.08Å; A902-R904 PolarHBondContact O-N 3.48Å; A902-R905 CarbonylContact O-C 3.57Å; A902-R905 WeakPolarHBondContact O-CA 3.48Å; A902-R905 PolarHBondContact O-N 2.92Å; A902-E906 WeakPolarHBondContact O-CG 3.28Å; A902-E906 PolarHBondContact O-N 2.79Å
903V85.5Confident85.3Confident67 Ų6795.9 Ų95.941%0.40646%0.455SS..Hα-helixtrans-60.8-31.3175.71710000112T899 Q907T899-V903 WeakPolarHBondContact O-CB 3.27Å; T899-V903 WeakPolarHBondContact O-CG2 3.46Å; T899-V903 PolarHBondContact O-N 3.3Å; V903-Q907 VanDerWaalsContact CG1-NE2 3.32Å; V903-Q907 WeakPolarHBondContact O-CB 3.45Å; V903-Q907 WeakPolarHBondContact O-CG 3.27Å; V903-Q907 PolarHBondContact O-N 2.72Å
904R84.4Confident85.2Confident145 Ų14598 Ų9855%0.54747%0.473SS..Hα-helixtrans-69.7-44.8170.3-76.1172.1-168.9178.87.7112.3I900 Q901 A902 Q907 E908I900-R904 WeakPolarHBondContact O-CB 3.41Å; I900-R904 WeakPolarHBondContact O-CG 3.39Å; I900-R904 PolarHBondContact O-N 2.98Å; I900-R904 VanDerWaalsContact O-N 3.11Å; Q901-R904 WeakPolarHBondContact O-CB 3.43Å; Q901-R904 PolarHBondContact O-N 2.88Å; A902-R904 PolarHBondContact O-N 3.48Å; R904-Q907 CarbonylContact O-C 3.5Å; R904-Q907 PolarHBondContact O-N 3.17Å; R904-E908 WeakPolarHBondContact O-CB 3.35Å; R904-E908 WeakPolarHBondContact O-CG 3.49Å; R904-E908 PolarHBondContact O-N 2.71Å
905R84.9Confident84.9Confident141 Ų14199.7 Ų99.753%0.53248%0.481SS..Hα-helixtrans-61.6-45.6176.7-70.1174.6-156.7-179.38.9110.7Q901 A902 Q907 E908 E909Q901-R905 WeakPolarHBondContact O-CG 3.46Å; Q901-R905 PolarHBondContact O-N 3.49Å; A902-R905 CarbonylContact O-C 3.57Å; A902-R905 WeakPolarHBondContact O-CA 3.48Å; A902-R905 PolarHBondContact O-N 2.92Å; R905-Q907 VanDerWaalsContact C-N 3.34Å; R905-Q907 PolarHBondContact O-N 2.62Å; R905-E908 CarbonylContact O-C 3.57Å; R905-E908 PolarHBondContact O-N 3.12Å; R905-E908 VanDerWaalsContact O-N 3.09Å; R905-E909 VanDerWaalsContact O-CB 3.32Å; R905-E909 WeakPolarHBondContact O-CB 3.45Å; R905-E909 WeakPolarHBondContact O-CG 3.31Å; R905-E909 PolarHBondContact O-N 3.45Å
906E83.3Confident84.8Confident117 Ų11798.7 Ų98.755%0.54748%0.476SS..Hα-helixtrans-58-43.4172.4-70.7174.7169.500112A902 E908 T910A902-E906 WeakPolarHBondContact O-CG 3.28Å; A902-E906 PolarHBondContact O-N 2.79Å; E906-E908 VanDerWaalsContact C-N 3.3Å; E906-E908 PolarHBondContact O-N 2.84Å; E906-T910 VanDerWaalsContact O-CB 3.27Å; E906-T910 WeakPolarHBondContact O-CB 3.24Å; E906-T910 VanDerWaalsContact O-CG2 3.24Å; E906-T910 WeakPolarHBondContact O-CG2 3.42Å; E906-T910 PolarHBondContact O-N 3.38Å; E906-T910 PolarHBondContact O-OG1 3.01Å
907Q80.2Confident84.7Confident126 Ų126103.3 Ų103.359%0.58949%0.488SS*.Hα-helixtrans-68-27.3175.8-7617324.700113.5V903 R904 R905 R911V903-Q907 VanDerWaalsContact CG1-NE2 3.32Å; V903-Q907 WeakPolarHBondContact O-CB 3.45Å; V903-Q907 WeakPolarHBondContact O-CG 3.27Å; V903-Q907 PolarHBondContact O-N 2.72Å; R904-Q907 CarbonylContact O-C 3.5Å; R904-Q907 PolarHBondContact O-N 3.17Å; R905-Q907 VanDerWaalsContact C-N 3.34Å; R905-Q907 PolarHBondContact O-N 2.62Å; Q907-R911 WeakPolarHBondContact O-CB 3.33Å; Q907-R911 PolarHBondContact O-N 3.49Å
908E82.7Confident84.5Confident128 Ų128108.6 Ų108.660%0.59851%0.506SS*.Hα-helixtrans-83.6-38.3175.8-74174.7178.900111.7R904 R905 E906 R911 R912R904-E908 WeakPolarHBondContact O-CB 3.35Å; R904-E908 WeakPolarHBondContact O-CG 3.49Å; R904-E908 PolarHBondContact O-N 2.71Å; R905-E908 CarbonylContact O-C 3.57Å; R905-E908 PolarHBondContact O-N 3.12Å; R905-E908 VanDerWaalsContact O-N 3.09Å; E906-E908 VanDerWaalsContact C-N 3.3Å; E906-E908 PolarHBondContact O-N 2.84Å; E908-R911 PolarHBondContact O-N 3.13Å; E908-R912 WeakPolarHBondContact O-CB 3.28Å; E908-R912 PolarHBondContact O-N 2.9Å
909E85Confident84.4Confident117 Ų117112.4 Ų112.455%0.54751%0.512SS..Hα-helixtrans-71.8-46.7176.2-75.9178.1-166.400111.9R905 R911 R912 L913R905-E909 VanDerWaalsContact O-CB 3.32Å; R905-E909 WeakPolarHBondContact O-CB 3.45Å; R905-E909 WeakPolarHBondContact O-CG 3.31Å; R905-E909 PolarHBondContact O-N 3.45Å; E909-R911 PolarHBondContact O-N 3.29Å; E909-R912 CarbonylContact O-C 3.04Å; E909-R912 PolarHBondContact O-N 2.76Å; E909-R912 VanDerWaalsContact O-N 3.13Å; E909-L913 WeakPolarHBondContact O-CB 3.33Å; E909-L913 WeakPolarHBondContact O-CG 3.2Å; E909-L913 PolarHBondContact O-N 3.14Å
910T84.6Confident84.3Confident92 Ų92113.9 Ų113.956%0.56451%0.514SS*.Hα-helixtrans-60.5-36.9173.552.90000111.3E906 A914E906-T910 VanDerWaalsContact O-CB 3.27Å; E906-T910 WeakPolarHBondContact O-CB 3.24Å; E906-T910 VanDerWaalsContact O-CG2 3.24Å; E906-T910 WeakPolarHBondContact O-CG2 3.42Å; E906-T910 PolarHBondContact O-N 3.38Å; E906-T910 PolarHBondContact O-OG1 3.01Å; T910-A914 WeakPolarHBondContact O-CB 3.17Å; T910-A914 PolarHBondContact O-N 3.12Å
911R84.5Confident84.1Confident168 Ų168115 Ų11563%0.63452%0.519SS*.Hα-helixtrans-69.6-38.8173.8-178.9177.8178.5-159.6-4.4112.6Q907 E908 E909 A914 Q915Q907-R911 WeakPolarHBondContact O-CB 3.33Å; Q907-R911 PolarHBondContact O-N 3.49Å; E908-R911 PolarHBondContact O-N 3.13Å; E909-R911 PolarHBondContact O-N 3.29Å; R911-A914 PolarHBondContact O-N 3.41Å; R911-Q915 WeakPolarHBondContact O-CG 3.37Å; R911-Q915 PolarHBondContact O-N 3.33Å
912R85.8Confident83.9Confident154 Ų154118 Ų11858%0.58153%0.533SS*.Hα-helixtrans-67.3-49.5175.7179178.6171.7177.2-3.4111.2E908 E909 A914 Q915 E916E908-R912 WeakPolarHBondContact O-CB 3.28Å; E908-R912 PolarHBondContact O-N 2.9Å; E909-R912 CarbonylContact O-C 3.04Å; E909-R912 PolarHBondContact O-N 2.76Å; E909-R912 VanDerWaalsContact O-N 3.13Å; R912-A914 VanDerWaalsContact C-N 3.27Å; R912-A914 PolarHBondContact O-N 3.14Å; R912-Q915 CarbonylContact O-C 3.53Å; R912-Q915 WeakPolarHBondContact O-CA 3.39Å; R912-Q915 WeakPolarHBondContact O-CB 3.37Å; R912-Q915 PolarHBondContact O-N 2.98Å; R912-E916 HydrophobicContact CG-CG 4.38Å; R912-E916 IonicContact CZ-OE1 3Å; R912-E916 VanDerWaalsContact CZ-OE1 3.29Å; R912-E916 IonicContact NE-OE1 3.8Å; R912-E916 PolarHBondContact NE-OE1 3.41Å; R912-E916 IonicContact NE-OE2 3.58Å; R912-E916 IonicContact NH2-OE1 2.74Å; R912-E916 PolarHBondContact NH2-OE1 3.29Å; R912-E916 PolarHBondContact O-N 3.17Å
913L86.8Confident83.8Confident88 Ų88119.4 Ų119.446%0.46153%0.533SS..Hα-helixtrans-60.1-35.6173.2-70.3170.6000111.7E909 Q915 E916 R917E909-L913 WeakPolarHBondContact O-CB 3.33Å; E909-L913 WeakPolarHBondContact O-CG 3.2Å; E909-L913 PolarHBondContact O-N 3.14Å; L913-Q915 VanDerWaalsContact C-N 3.33Å; L913-E916 PolarHBondContact O-N 3.03Å; L913-R917 VanDerWaalsContact O-CB 3.23Å; L913-R917 WeakPolarHBondContact O-CB 3.34Å; L913-R917 VanDerWaalsContact O-CG 3.25Å; L913-R917 WeakPolarHBondContact O-CG 3.36Å; L913-R917 PolarHBondContact O-N 3.43Å
914A84.3Confident83.7Confident47 Ų47122.2 Ų122.239%0.38854%0.542SS..Hα-helixtrans-68.3-28.5171.700000113.2T910 R911 R912 R918T910-A914 WeakPolarHBondContact O-CB 3.17Å; T910-A914 PolarHBondContact O-N 3.12Å; R911-A914 PolarHBondContact O-N 3.41Å; R912-A914 VanDerWaalsContact C-N 3.27Å; R912-A914 PolarHBondContact O-N 3.14Å; A914-R918 WeakPolarHBondContact O-CB 3.49Å; A914-R918 VanDerWaalsContact O-CD 3.31Å; A914-R918 WeakPolarHBondContact O-CD 3.31Å; A914-R918 WeakPolarHBondContact O-CG 3.46Å; A914-R918 PolarHBondContact O-N 3.07Å
915Q82.3Confident83.5Confident122 Ų122122.5 Ų122.557%0.5755%0.548SS*.Hα-helixtrans-78.5-41.6171.3-72.5177.5-58.300112R911 R912 L913 R918 R919R911-Q915 WeakPolarHBondContact O-CG 3.37Å; R911-Q915 PolarHBondContact O-N 3.33Å; R912-Q915 CarbonylContact O-C 3.53Å; R912-Q915 WeakPolarHBondContact O-CA 3.39Å; R912-Q915 WeakPolarHBondContact O-CB 3.37Å; R912-Q915 PolarHBondContact O-N 2.98Å; L913-Q915 VanDerWaalsContact C-N 3.33Å; Q915-R918 WeakPolarHBondContact O-CB 3.34Å; Q915-R918 PolarHBondContact O-N 3.02Å; Q915-R919 WeakPolarHBondContact O-CB 3.33Å; Q915-R919 PolarHBondContact O-N 3.06Å
916E84.9Confident83.3Confident73 Ų73120.7 Ų120.734%0.34155%0.545SS..Hα-helixtrans-68.2-44.2179-73.4172.2169.800111R912 L913 R918 R919 Q920R912-E916 HydrophobicContact CG-CG 4.38Å; R912-E916 IonicContact CZ-OE1 3Å; R912-E916 VanDerWaalsContact CZ-OE1 3.29Å; R912-E916 IonicContact NE-OE1 3.8Å; R912-E916 PolarHBondContact NE-OE1 3.41Å; R912-E916 IonicContact NE-OE2 3.58Å; R912-E916 IonicContact NH2-OE1 2.74Å; R912-E916 PolarHBondContact NH2-OE1 3.29Å; R912-E916 PolarHBondContact O-N 3.17Å; L913-E916 PolarHBondContact O-N 3.03Å; E916-R918 VanDerWaalsContact C-N 3.31Å; E916-R918 PolarHBondContact O-N 3.5Å; E916-R919 CarbonylContact O-C 3.57Å; E916-R919 PolarHBondContact O-N 3.23Å; E916-R919 VanDerWaalsContact O-N 3.11Å; E916-Q920 WeakPolarHBondContact O-CB 3.31Å; E916-Q920 WeakPolarHBondContact O-CG 3.3Å; E916-Q920 PolarHBondContact O-N 2.92Å
917R85.1Confident83.3Confident166 Ų166119.1 Ų119.163%0.62654%0.538SS*.Hα-helixtrans-61.1-36.7171-73.3177.5179.7-177.80.9112.7L913 M921L913-R917 VanDerWaalsContact O-CB 3.23Å; L913-R917 WeakPolarHBondContact O-CB 3.34Å; L913-R917 VanDerWaalsContact O-CG 3.25Å; L913-R917 WeakPolarHBondContact O-CG 3.36Å; L913-R917 PolarHBondContact O-N 3.43Å; R917-M921 HydrophobicContact CB-CE 4.44Å; R917-M921 WeakPolarHBondContact O-CB 3.42Å; R917-M921 WeakPolarHBondContact O-CE 3.22Å; R917-M921 WeakPolarHBondContact O-CG 3.5Å; R917-M921 PolarHBondContact O-N 3.27Å
918R81.2Confident83.5Confident179 Ų179115.3 Ų115.368%0.67553%0.528SS*.Hα-helixtrans-65.3-42.4172.7-79.8173.1-179.1-155-1.3111.4A914 Q915 E916 M921 Q922A914-R918 WeakPolarHBondContact O-CB 3.49Å; A914-R918 VanDerWaalsContact O-CD 3.31Å; A914-R918 WeakPolarHBondContact O-CD 3.31Å; A914-R918 WeakPolarHBondContact O-CG 3.46Å; A914-R918 PolarHBondContact O-N 3.07Å; Q915-R918 WeakPolarHBondContact O-CB 3.34Å; Q915-R918 PolarHBondContact O-N 3.02Å; E916-R918 VanDerWaalsContact C-N 3.31Å; E916-R918 PolarHBondContact O-N 3.5Å; R918-M921 PolarHBondContact O-N 2.77Å; R918-Q922 WeakPolarHBondContact O-CG 3.48Å; R918-Q922 PolarHBondContact O-N 2.91Å
919R84.7Confident83.4Confident176 Ų176111.6 Ų111.666%0.66452%0.519SS*.Hα-helixtrans-68.3-39.7177.6-167.9178.5-177-177.60.3112.2Q915 E916 Q922 I923Q915-R919 WeakPolarHBondContact O-CB 3.33Å; Q915-R919 PolarHBondContact O-N 3.06Å; E916-R919 CarbonylContact O-C 3.57Å; E916-R919 PolarHBondContact O-N 3.23Å; E916-R919 VanDerWaalsContact O-N 3.11Å; R919-Q922 WeakPolarHBondContact O-CB 3.48Å; R919-Q922 PolarHBondContact O-N 2.92Å; R919-I923 HydrophobicContact CG-CD1 4.04Å; R919-I923 VanDerWaalsContact O-CG1 3.32Å; R919-I923 WeakPolarHBondContact O-CG1 3.13Å; R919-I923 PolarHBondContact O-N 3.45Å
920Q84.2Confident83.3Confident110 Ų110111 Ų11151%0.51452%0.515SS..Hα-helixtrans-63.2-49.7172.7-75.1170-41.200110.5E916 Q922 I923 E924E916-Q920 WeakPolarHBondContact O-CB 3.31Å; E916-Q920 WeakPolarHBondContact O-CG 3.3Å; E916-Q920 PolarHBondContact O-N 2.92Å; Q920-Q922 PolarHBondContact O-N 3.14Å; Q920-Q922 VanDerWaalsContact O-N 3.09Å; Q920-I923 CarbonylContact O-C 3.6Å; Q920-I923 PolarHBondContact O-N 3.41Å; Q920-E924 WeakPolarHBondContact O-CB 3.5Å; Q920-E924 WeakPolarHBondContact O-CG 3.29Å; Q920-E924 PolarHBondContact O-N 2.98Å
921M81.2Confident83.3Confident96 Ų96114.2 Ų114.247%0.47352%0.516SS..Hα-helixtrans-62.3-17.1173.5-77-173.4-76.200114.3R917 R918 K925R917-M921 HydrophobicContact CB-CE 4.44Å; R917-M921 WeakPolarHBondContact O-CB 3.42Å; R917-M921 WeakPolarHBondContact O-CE 3.22Å; R917-M921 WeakPolarHBondContact O-CG 3.5Å; R917-M921 PolarHBondContact O-N 3.27Å; R918-M921 PolarHBondContact O-N 2.77Å; M921-K925 WeakPolarHBondContact O-CB 3.5Å; M921-K925 WeakPolarHBondContact O-CD 3.38Å; M921-K925 WeakPolarHBondContact O-CG 3.37Å
922Q79.5Confident83.1Confident122 Ų122110.6 Ų110.657%0.5751%0.508SS*.Hα-helixtrans-82.5-48167.7-74177.9-8500111.2R918 R919 Q920 K925 E926R918-Q922 WeakPolarHBondContact O-CG 3.48Å; R918-Q922 PolarHBondContact O-N 2.91Å; R919-Q922 WeakPolarHBondContact O-CB 3.48Å; R919-Q922 PolarHBondContact O-N 2.92Å; Q920-Q922 PolarHBondContact O-N 3.14Å; Q920-Q922 VanDerWaalsContact O-N 3.09Å; Q922-K925 PolarHBondContact O-N 3.43Å; Q922-E926 PolarHBondContact O-N 3.04Å
923I84Confident82.7Confident73 Ų73109 Ų10937%0.37451%0.508SS..Hα-helixtrans-61.5-44.5178.2-67.8164.7000111.3R919 Q920 K925 E926 E927R919-I923 HydrophobicContact CG-CD1 4.04Å; R919-I923 VanDerWaalsContact O-CG1 3.32Å; R919-I923 WeakPolarHBondContact O-CG1 3.13Å; R919-I923 PolarHBondContact O-N 3.45Å; Q920-I923 CarbonylContact O-C 3.6Å; Q920-I923 PolarHBondContact O-N 3.41Å; I923-K925 VanDerWaalsContact C-N 3.32Å; I923-K925 PolarHBondContact O-N 3.09Å; I923-E926 CarbonylContact O-C 3.38Å; I923-E926 PolarHBondContact O-N 3.34Å; I923-E927 HydrophobicContact CG2-CG 4.44Å; I923-E927 WeakPolarHBondContact O-CB 3.32Å; I923-E927 PolarHBondContact O-N 3Å
924E83.4Confident82.5Confident127 Ų127111.5 Ų111.559%0.59352%0.515SS*.Hα-helixtrans-63-36.9175.6-70.7176149.900112Q920 A928Q920-E924 WeakPolarHBondContact O-CB 3.5Å; Q920-E924 WeakPolarHBondContact O-CG 3.29Å; Q920-E924 PolarHBondContact O-N 2.98Å; E924-A928 WeakPolarHBondContact O-CB 3.4Å; E924-A928 PolarHBondContact O-N 3.35Å
925K80.5Confident82.3Confident151 Ų151113.5 Ų113.566%0.65752%0.516SS*.Hα-helixtrans-71.1-38.6174.4-75.5177.4-171.1-178.10111.9M921 Q922 I923 A929M921-K925 WeakPolarHBondContact O-CB 3.5Å; M921-K925 WeakPolarHBondContact O-CD 3.38Å; M921-K925 WeakPolarHBondContact O-CG 3.37Å; Q922-K925 PolarHBondContact O-N 3.43Å; I923-K925 VanDerWaalsContact C-N 3.32Å; I923-K925 PolarHBondContact O-N 3.09Å; K925-A929 WeakPolarHBondContact O-CB 3.34Å; K925-A929 PolarHBondContact O-N 2.83Å
926E80.9Confident82Confident102 Ų102112.9 Ų112.948%0.47751%0.513SS..Hα-helixtrans-66.8-40.5172.5-79.2-173.5-140.600112.4Q922 I923 A929 K930Q922-E926 PolarHBondContact O-N 3.04Å; I923-E926 CarbonylContact O-C 3.38Å; I923-E926 PolarHBondContact O-N 3.34Å; E926-A929 PolarHBondContact O-N 2.58Å; E926-K930 VanDerWaalsContact O-CB 3.29Å; E926-K930 WeakPolarHBondContact O-CB 3.47Å; E926-K930 VanDerWaalsContact O-CD 3.3Å; E926-K930 WeakPolarHBondContact O-CD 3.47Å; E926-K930 WeakPolarHBondContact O-CG 3.27Å; E926-K930 PolarHBondContact O-N 3.31Å; E926-K930 IonicContact OE2-NZ 3.86Å; E926-K930 PolarHBondContact OE2-NZ 3.16Å
927E83.7Confident81.6Confident85 Ų85114.5 Ų114.540%0.39752%0.522SS..Hα-helixtrans-71.1-41.8176.8-84.4-163.9-147.200111.7I923 A929 K930 R931I923-E927 HydrophobicContact CG2-CG 4.44Å; I923-E927 WeakPolarHBondContact O-CB 3.32Å; I923-E927 PolarHBondContact O-N 3Å; E927-A929 VanDerWaalsContact C-N 3.32Å; E927-K930 CarbonylContact O-C 3.55Å; E927-K930 PolarHBondContact O-N 3.25Å; E927-R931 WeakPolarHBondContact O-CB 3.3Å; E927-R931 VanDerWaalsContact O-CG 3.26Å; E927-R931 WeakPolarHBondContact O-CG 3.27Å; E927-R931 PolarHBondContact O-N 3.44Å; E927-R931 IonicContact OE2-CZ 3.67Å; E927-R931 IonicContact OE2-NE 2.78Å; E927-R931 IonicContact OE2-NH2 2.76Å; E927-R931 PolarHBondContact OE2-NH2 3.33Å
928A84Confident81.3Confident46 Ų46111.8 Ų111.838%0.3852%0.517SS..Hα-helixtrans-60.9-43.6171.600000110.5E924 R931 I932E924-A928 WeakPolarHBondContact O-CB 3.4Å; E924-A928 PolarHBondContact O-N 3.35Å; A928-R931 PolarHBondContact O-N 3.48Å; A928-I932 VanDerWaalsContact O-CB 3.3Å; A928-I932 WeakPolarHBondContact O-CB 3.49Å; A928-I932 WeakPolarHBondContact O-CD1 3.28Å; A928-I932 WeakPolarHBondContact O-CG1 3.4Å; A928-I932 PolarHBondContact O-N 3.3Å
929A81.6Confident81.1Confident49 Ų49111.2 Ų111.241%0.40551%0.514SS..Hα-helixtrans-62.3-41.7173.400000112.4K925 E926 E927 Q933K925-A929 WeakPolarHBondContact O-CB 3.34Å; K925-A929 PolarHBondContact O-N 2.83Å; E926-A929 PolarHBondContact O-N 2.58Å; E927-A929 VanDerWaalsContact C-N 3.32Å; A929-Q933 VanDerWaalsContact O-CB 3.3Å; A929-Q933 WeakPolarHBondContact O-CB 3.28Å; A929-Q933 WeakPolarHBondContact O-CG 3.41Å; A929-Q933 PolarHBondContact O-N 2.7Å
930K82.7Confident80.6Confident106 Ų106110.8 Ų110.846%0.46151%0.513SS..Hα-helixtrans-68.8-34.5176.4-72.8159.8-165.5162.90112.4E926 E927 K934E926-K930 VanDerWaalsContact O-CB 3.29Å; E926-K930 WeakPolarHBondContact O-CB 3.47Å; E926-K930 VanDerWaalsContact O-CD 3.3Å; E926-K930 WeakPolarHBondContact O-CD 3.47Å; E926-K930 WeakPolarHBondContact O-CG 3.27Å; E926-K930 PolarHBondContact O-N 3.31Å; E926-K930 IonicContact OE2-NZ 3.86Å; E926-K930 PolarHBondContact OE2-NZ 3.16Å; E927-K930 CarbonylContact O-C 3.55Å; E927-K930 PolarHBondContact O-N 3.25Å; K930-K934 WeakPolarHBondContact O-CB 3.49Å; K930-K934 WeakPolarHBondContact O-CG 3.38Å; K930-K934 PolarHBondContact O-N 2.91Å
931R83.8Confident80.1Confident158 Ų158110.5 Ų110.560%0.59651%0.513SS*.Hα-helixtrans-71-45.9173.6-72.6177.5-157.9-155.27.7110.9E927 A928 Q933 K934 E935E927-R931 WeakPolarHBondContact O-CB 3.3Å; E927-R931 VanDerWaalsContact O-CG 3.26Å; E927-R931 WeakPolarHBondContact O-CG 3.27Å; E927-R931 PolarHBondContact O-N 3.44Å; E927-R931 IonicContact OE2-CZ 3.67Å; E927-R931 IonicContact OE2-NE 2.78Å; E927-R931 IonicContact OE2-NH2 2.76Å; E927-R931 PolarHBondContact OE2-NH2 3.33Å; A928-R931 PolarHBondContact O-N 3.48Å; R931-Q933 VanDerWaalsContact C-N 3.3Å; R931-Q933 PolarHBondContact O-N 3.3Å; R931-K934 PolarHBondContact O-N 3.4Å; R931-K934 VanDerWaalsContact O-N 3.15Å; R931-E935 WeakPolarHBondContact O-CB 3.44Å; R931-E935 PolarHBondContact O-N 3.14Å
932I79.9Confident79.9Confident92 Ų92110.1 Ų110.147%0.47251%0.512SS..Hα-helixtrans-60.8-40.6173.1-68.9164.6000110.4A928 Q936A928-I932 VanDerWaalsContact O-CB 3.3Å; A928-I932 WeakPolarHBondContact O-CB 3.49Å; A928-I932 WeakPolarHBondContact O-CD1 3.28Å; A928-I932 WeakPolarHBondContact O-CG1 3.4Å; A928-I932 PolarHBondContact O-N 3.3Å; I932-Q936 HydrophobicContact CG2-CG 4.43Å; I932-Q936 WeakPolarHBondContact O-CB 3.38Å; I932-Q936 WeakPolarHBondContact O-CG 3.36Å; I932-Q936 PolarHBondContact O-N 3.2Å
933Q78.3Confident79.5Confident122 Ų122110.8 Ų110.857%0.5751%0.513SS*.Hα-helixtrans-65.2-43171.9-83.4-173.5-29.300112.6A929 R931 Q936 M937A929-Q933 VanDerWaalsContact O-CB 3.3Å; A929-Q933 WeakPolarHBondContact O-CB 3.28Å; A929-Q933 WeakPolarHBondContact O-CG 3.41Å; A929-Q933 PolarHBondContact O-N 2.7Å; R931-Q933 VanDerWaalsContact C-N 3.3Å; R931-Q933 PolarHBondContact O-N 3.3Å; Q933-Q936 CarbonylContact O-C 3.51Å; Q933-Q936 PolarHBondContact O-N 3.2Å; Q933-M937 VanDerWaalsContact O-CB 3.28Å; Q933-M937 WeakPolarHBondContact O-CB 3.49Å; Q933-M937 WeakPolarHBondContact O-CG 2.89Å; Q933-M937 PolarHBondContact O-N 2.89Å
934K81.8Confident78.9Confident139 Ų139111 Ų11160%0.60452%0.517SS*.Hα-helixtrans-63-49.4175.8-83.5-166.2175.5-163.70111.5K930 R931 Q936 M937 E938K930-K934 WeakPolarHBondContact O-CB 3.49Å; K930-K934 WeakPolarHBondContact O-CG 3.38Å; K930-K934 PolarHBondContact O-N 2.91Å; R931-K934 PolarHBondContact O-N 3.4Å; R931-K934 VanDerWaalsContact O-N 3.15Å; K934-Q936 VanDerWaalsContact C-N 3.29Å; K934-Q936 PolarHBondContact O-N 2.85Å; K934-M937 CarbonylContact O-C 3.52Å; K934-M937 WeakPolarHBondContact O-CA 3.04Å; K934-M937 PolarHBondContact O-N 2.99Å; K934-E938 WeakPolarHBondContact O-CB 3.31Å; K934-E938 WeakPolarHBondContact O-CG 3.32Å; K934-E938 PolarHBondContact O-N 3.06Å
935E81.4Confident78.1Confident89 Ų89110.1 Ų110.142%0.41651%0.513SS..Hα-helixtrans-60.2-38.2173.8-75.7-172.2-131.100111.9R931 M937 R939R931-E935 WeakPolarHBondContact O-CB 3.44Å; R931-E935 PolarHBondContact O-N 3.14Å; E935-M937 VanDerWaalsContact C-N 3.34Å; E935-R939 WeakPolarHBondContact O-CA 3.3Å; E935-R939 WeakPolarHBondContact O-CB 3.48Å; E935-R939 WeakPolarHBondContact O-CD 3.48Å; E935-R939 WeakPolarHBondContact O-CG 3.31Å; E935-R939 PolarHBondContact O-N 3.45Å; E935-R939 IonicContact OE2-CZ 2.63Å; E935-R939 IonicContact OE2-NE 3.78Å; E935-R939 IonicContact OE2-NH2 3.22Å; E935-R939 PolarHBondContact OE2-NH2 3.02Å
936Q74.9Confident77.4Confident110 Ų110110.6 Ų110.651%0.51451%0.511SS..Hα-helixtrans-68.2-32.4173.3-77172.85.600112.5I932 Q933 K934 R940I932-Q936 HydrophobicContact CG2-CG 4.43Å; I932-Q936 WeakPolarHBondContact O-CB 3.38Å; I932-Q936 WeakPolarHBondContact O-CG 3.36Å; I932-Q936 PolarHBondContact O-N 3.2Å; Q933-Q936 CarbonylContact O-C 3.51Å; Q933-Q936 PolarHBondContact O-N 3.2Å; K934-Q936 VanDerWaalsContact C-N 3.29Å; K934-Q936 PolarHBondContact O-N 2.85Å; Q936-R940 WeakPolarHBondContact O-CB 3.23Å; Q936-R940 WeakPolarHBondContact O-CG 3.48Å; Q936-R940 PolarHBondContact O-N 3.28Å
937M76.5Confident76.2Confident107 Ų107107.3 Ų107.353%0.52750%0.498SS..Hα-helixtrans-78.4-36.6176.9-75-66.4-69.300112.2Q933 K934 E935 R940 M941Q933-M937 VanDerWaalsContact O-CB 3.28Å; Q933-M937 WeakPolarHBondContact O-CB 3.49Å; Q933-M937 WeakPolarHBondContact O-CG 2.89Å; Q933-M937 PolarHBondContact O-N 2.89Å; K934-M937 CarbonylContact O-C 3.52Å; K934-M937 WeakPolarHBondContact O-CA 3.04Å; K934-M937 PolarHBondContact O-N 2.99Å; E935-M937 VanDerWaalsContact C-N 3.34Å; M937-R940 CarbonylContact O-C 3.45Å; M937-R940 WeakPolarHBondContact O-CB 3.34Å; M937-R940 PolarHBondContact O-N 2.9Å; M937-M941 WeakPolarHBondContact O-CB 3.22Å; M937-M941 VanDerWaalsContact O-CG 3.31Å; M937-M941 WeakPolarHBondContact O-CG 3.41Å; M937-M941 PolarHBondContact O-N 2.98Å
938E78.9Confident74.9Confident109 Ų109113.6 Ų113.651%0.50952%0.518SS..Hα-helixtrans-73.6-44.1174.5-72.9163.8-159.400110.4K934 R940 M941 I942K934-E938 WeakPolarHBondContact O-CB 3.31Å; K934-E938 WeakPolarHBondContact O-CG 3.32Å; K934-E938 PolarHBondContact O-N 3.06Å; E938-R940 VanDerWaalsContact C-N 3.27Å; E938-R940 PolarHBondContact O-N 3.16Å; E938-M941 PolarHBondContact O-N 3.29Å; E938-M941 VanDerWaalsContact O-N 3.14Å; E938-I942 WeakPolarHBondContact O-CB 3.38Å; E938-I942 VanDerWaalsContact O-CG1 3.31Å; E938-I942 WeakPolarHBondContact O-CG1 3.5Å; E938-I942 PolarHBondContact O-N 2.98Å
939R76.5Confident73.3Confident167 Ų167118.1 Ų118.163%0.6353%0.531SS*.Hα-helixtrans-62-35.1168-66.8168.3-162.5-141.910.3110.9E935 F943E935-R939 WeakPolarHBondContact O-CA 3.3Å; E935-R939 WeakPolarHBondContact O-CB 3.48Å; E935-R939 WeakPolarHBondContact O-CD 3.48Å; E935-R939 WeakPolarHBondContact O-CG 3.31Å; E935-R939 PolarHBondContact O-N 3.45Å; E935-R939 IonicContact OE2-CZ 2.63Å; E935-R939 IonicContact OE2-NE 3.78Å; E935-R939 IonicContact OE2-NH2 3.22Å; E935-R939 PolarHBondContact OE2-NH2 3.02Å; R939-F943 WeakPolarHBondContact O-CA 3.18Å; R939-F943 WeakPolarHBondContact O-CB 3.25Å; R939-F943 PolarHBondContact O-N 2.96Å
940R74.4Confident71.7Confident166 Ų166121 Ų12163%0.62654%0.539SS*.Hα-helixtrans-67.7-38.5170.1-88172.3166.8-176.4-4.4112.8Q936 M937 E938 F943 V944Q936-R940 WeakPolarHBondContact O-CB 3.23Å; Q936-R940 WeakPolarHBondContact O-CG 3.48Å; Q936-R940 PolarHBondContact O-N 3.28Å; M937-R940 CarbonylContact O-C 3.45Å; M937-R940 WeakPolarHBondContact O-CB 3.34Å; M937-R940 PolarHBondContact O-N 2.9Å; E938-R940 VanDerWaalsContact C-N 3.27Å; E938-R940 PolarHBondContact O-N 3.16Å; R940-F943 CarbonylContact O-C 3.51Å; R940-F943 PolarHBondContact O-N 3.08Å; R940-V944 WeakPolarHBondContact O-CB 3.46Å; R940-V944 WeakPolarHBondContact O-CG2 3.43Å; R940-V944 PolarHBondContact O-N 3.46Å
941M74.8Confident70Confident104 Ų104121.8 Ų121.851%0.51255%0.548SS..Hα-helixtrans-69.8-47178-78.6-60.6-61.100110.7M937 E938 F943 V944 E945M937-M941 WeakPolarHBondContact O-CB 3.22Å; M937-M941 VanDerWaalsContact O-CG 3.31Å; M937-M941 WeakPolarHBondContact O-CG 3.41Å; M937-M941 PolarHBondContact O-N 2.98Å; E938-M941 PolarHBondContact O-N 3.29Å; E938-M941 VanDerWaalsContact O-N 3.14Å; M941-F943 VanDerWaalsContact C-N 3.28Å; M941-F943 PolarHBondContact O-N 3.43Å; M941-V944 CarbonylContact O-C 3.58Å; M941-V944 PolarHBondContact O-N 3.17Å; M941-V944 VanDerWaalsContact O-N 3.09Å; M941-E945 WeakPolarHBondContact O-CB 3.41Å; M941-E945 WeakPolarHBondContact O-CG 3.27Å; M941-E945 PolarHBondContact O-N 3.17Å
942I76.2Confident68.1Low88 Ų88119 Ų11945%0.45155%0.552SS.*Hα-helixtrans-62.4-36.6172.8-64.2164.7000110.6E938 R946E938-I942 WeakPolarHBondContact O-CB 3.38Å; E938-I942 VanDerWaalsContact O-CG1 3.31Å; E938-I942 WeakPolarHBondContact O-CG1 3.5Å; E938-I942 PolarHBondContact O-N 2.98Å; I942-R946 HydrophobicContact CG2-CG 4.45Å; I942-R946 WeakPolarHBondContact O-CB 3.47Å; I942-R946 VanDerWaalsContact O-CG 3.24Å; I942-R946 WeakPolarHBondContact O-CG 3.28Å; I942-R946 PolarHBondContact O-N 2.78Å
943F71Confident66.1Low137 Ų137118 Ų11860%0.60156%0.558SS**Hα-helixtrans-72.7-30.5173.3-173.6-94000112.5R939 R940 M941 T947R939-F943 WeakPolarHBondContact O-CA 3.18Å; R939-F943 WeakPolarHBondContact O-CB 3.25Å; R939-F943 PolarHBondContact O-N 2.96Å; R940-F943 CarbonylContact O-C 3.51Å; R940-F943 PolarHBondContact O-N 3.08Å; M941-F943 VanDerWaalsContact C-N 3.28Å; M941-F943 PolarHBondContact O-N 3.43Å; F943-T947 HydrophobicContact CD1-CG2 3.95Å; F943-T947 HydrophobicContact CD2-CG2 4.4Å; F943-T947 HydrophobicContact CE1-CG2 3.57Å; F943-T947 HydrophobicContact CE2-CG2 4.07Å; F943-T947 HydrophobicContact CG-CG2 4.35Å; F943-T947 HydrophobicContact CZ-CG2 3.64Å; F943-T947 WeakPolarHBondContact O-CA 3Å; F943-T947 VanDerWaalsContact O-CB 3.22Å; F943-T947 WeakPolarHBondContact O-CB 3.47Å; F943-T947 VanDerWaalsContact O-CG2 3.27Å; F943-T947 WeakPolarHBondContact O-CG2 3.31Å; F943-T947 PolarHBondContact O-N 2.99Å; F943-T947 PolarHBondContact O-OG1 3.17Å
944V72.4Confident64Low77 Ų77116.1 Ų116.147%0.46756%0.556SS.*Hα-helixtrans-76-35.7174.2161.20000110.8R940 M941 T947 R948R940-V944 WeakPolarHBondContact O-CB 3.46Å; R940-V944 WeakPolarHBondContact O-CG2 3.43Å; R940-V944 PolarHBondContact O-N 3.46Å; M941-V944 CarbonylContact O-C 3.58Å; M941-V944 PolarHBondContact O-N 3.17Å; M941-V944 VanDerWaalsContact O-N 3.09Å; V944-T947 WeakPolarHBondContact CA-OG1 3.48Å; V944-R948 WeakPolarHBondContact O-CB 3.1Å; V944-R948 PolarHBondContact O-N 3.03Å
945E66.9Low61.8Low108 Ų108116 Ų11651%0.50556%0.562SS.*Hα-helixtrans-70.1-46.9171.8-72.7179.7157.700110.6M941 R948 Q949M941-E945 WeakPolarHBondContact O-CB 3.41Å; M941-E945 WeakPolarHBondContact O-CG 3.27Å; M941-E945 PolarHBondContact O-N 3.17Å; E945-R948 CarbonylContact O-C 3.54Å; E945-R948 PolarHBondContact O-N 2.86Å; E945-R948 VanDerWaalsContact O-N 3.14Å; E945-Q949 WeakPolarHBondContact O-CB 3.41Å; E945-Q949 VanDerWaalsContact O-CG 3.29Å; E945-Q949 WeakPolarHBondContact O-CG 3.37Å; E945-Q949 PolarHBondContact O-N 3.03Å
946R64.3Low59.8Low162 Ų162117.9 Ų117.961%0.61157%0.574SS**Hα-helixtrans-64.1-38.7173.8-74.2-179.5175.5-171.3-2112.4I942 Q949 L950I942-R946 HydrophobicContact CG2-CG 4.45Å; I942-R946 WeakPolarHBondContact O-CB 3.47Å; I942-R946 VanDerWaalsContact O-CG 3.24Å; I942-R946 WeakPolarHBondContact O-CG 3.28Å; I942-R946 PolarHBondContact O-N 2.78Å; R946-Q949 CarbonylContact O-C 3.45Å; R946-Q949 PolarHBondContact O-N 3.4Å; R946-L950 HydrophobicContact CB-CD1 4.44Å; R946-L950 WeakPolarHBondContact O-CB 3.43Å; R946-L950 VanDerWaalsContact O-CG 3.3Å; R946-L950 WeakPolarHBondContact O-CG 3.39Å; R946-L950 PolarHBondContact O-N 3.18Å
947T55.5Low57.9Low32 Ų32120.7 Ų120.720%0.19659%0.587CS.*Hα-helixtrans-77.5-17.6172.256.50000113F943 V944 Q949 L951F943-T947 HydrophobicContact CD1-CG2 3.95Å; F943-T947 HydrophobicContact CD2-CG2 4.4Å; F943-T947 HydrophobicContact CE1-CG2 3.57Å; F943-T947 HydrophobicContact CE2-CG2 4.07Å; F943-T947 HydrophobicContact CG-CG2 4.35Å; F943-T947 HydrophobicContact CZ-CG2 3.64Å; F943-T947 WeakPolarHBondContact O-CA 3Å; F943-T947 VanDerWaalsContact O-CB 3.22Å; F943-T947 WeakPolarHBondContact O-CB 3.47Å; F943-T947 VanDerWaalsContact O-CG2 3.27Å; F943-T947 WeakPolarHBondContact O-CG2 3.31Å; F943-T947 PolarHBondContact O-N 2.99Å; F943-T947 PolarHBondContact O-OG1 3.17Å; V944-T947 WeakPolarHBondContact CA-OG1 3.48Å; T947-Q949 VanDerWaalsContact C-N 3.31Å; T947-L951 WeakPolarHBondContact O-CA 3.32Å; T947-L951 WeakPolarHBondContact O-CB 3.34Å; T947-L951 WeakPolarHBondContact O-CD1 3.35Å; T947-L951 WeakPolarHBondContact O-CG 3.31Å; T947-L951 PolarHBondContact O-N 3.05Å
948R56.9Low56Low218 Ų218119.3 Ų119.382%0.82359%0.593SS**Hα-helixtrans-75.5-23.2164.8-168174.8-169.9-179.43112.2V944 E945V944-R948 WeakPolarHBondContact O-CB 3.1Å; V944-R948 PolarHBondContact O-N 3.03Å; E945-R948 CarbonylContact O-C 3.54Å; E945-R948 PolarHBondContact O-N 2.86Å; E945-R948 VanDerWaalsContact O-N 3.14Å
949Q51Low53.9Low140 Ų140121.4 Ų121.465%0.65460%0.603SS**Hα-helixtrans-93.4-12.5172.4-68168.9-5.100114E945 R946 T947 S952E945-Q949 WeakPolarHBondContact O-CB 3.41Å; E945-Q949 VanDerWaalsContact O-CG 3.29Å; E945-Q949 WeakPolarHBondContact O-CG 3.37Å; E945-Q949 PolarHBondContact O-N 3.03Å; R946-Q949 CarbonylContact O-C 3.45Å; R946-Q949 PolarHBondContact O-N 3.4Å; T947-Q949 VanDerWaalsContact C-N 3.31Å; Q949-S952 PolarHBondContact O-OG 3.35Å
950L47.6Very low51.9Low111 Ų111121.1 Ų121.158%0.58161%0.606SS**Hα-helixtrans-116.2-22.3179.8-74.3162.2000113.3R946 S952 A953R946-L950 HydrophobicContact CB-CD1 4.44Å; R946-L950 WeakPolarHBondContact O-CB 3.43Å; R946-L950 VanDerWaalsContact O-CG 3.3Å; R946-L950 WeakPolarHBondContact O-CG 3.39Å; R946-L950 PolarHBondContact O-N 3.18Å; L950-S952 PolarHBondContact O-N 2.76Å; L950-A953 CarbonylContact O-C 3.59Å; L950-A953 WeakPolarHBondContact O-CA 3.44Å; L950-A953 PolarHBondContact O-N 3.48Å
951L47.6Very low49.9Very low122 Ų122117.1 Ų117.164%0.63961%0.609SS**THydrogen-bonded Turntrans-77.89.3167.8-64.7166.8000112.3T947 P954T947-L951 WeakPolarHBondContact O-CA 3.32Å; T947-L951 WeakPolarHBondContact O-CB 3.34Å; T947-L951 WeakPolarHBondContact O-CD1 3.35Å; T947-L951 WeakPolarHBondContact O-CG 3.31Å; T947-L951 PolarHBondContact O-N 3.05Å; L951-P954 HydrophobicContact CD2-CB 4.13Å
952S43.5Very low47.9Very low99 Ų99122.2 Ų122.269%0.69263%0.628SS**THydrogen-bonded Turntrans-74.2-6.3150.745.60000113Q949 L950Q949-S952 PolarHBondContact O-OG 3.35Å; L950-S952 PolarHBondContact O-N 2.76Å
953A37.5Very low45.8Very low71 Ų71127.9 Ų127.959%0.58765%0.65SS**SBendtrans-159.290171.100000111.1L950L950-A953 CarbonylContact O-C 3.59Å; L950-A953 WeakPolarHBondContact O-CA 3.44Å; L950-A953 PolarHBondContact O-N 3.48Å
954P35.1Very low44.3Very low82 Ų82127.6 Ų127.653%0.53267%0.665SS.*  trans-71.4172.7-167.230.9-37.8000115.9L951L951-P954 HydrophobicContact CD2-CB 4.13Å
955D35.1Very low42.5Very low136 Ų136130.8 Ų130.873%0.72768%0.679SS**  trans79.2145.3162.3-58.2-22.7000119
956L38.9Very low41Very low129 Ų129135 Ų13568%0.67570%0.696SS**  cis-160.1162.3-12.4-105.9167.1000110.8
957E34.9Very low39.5Very low169 Ų169130.7 Ų130.779%0.7970%0.702SS**  trans39.7149.8152.3-69171.4166.300123.7
958A36.4Very low38.5Very low79 Ų79138.7 Ų138.765%0.65373%0.734SS**  cis107.2121.33.800000118.8
959E35.2Very low37Very low152 Ų152139.6 Ų139.671%0.7174%0.737SS**  trans-165.6144.9161.3-87.1-76.1110.300106.8
960K35.2Very low36.1Very low161 Ų161143.1 Ų143.170%0.775%0.75SS**  cis96.515028.1-69.6175.9-122.9152.30114
961A31.7Very low35.5Very low82 Ų82145.1 Ų145.168%0.67876%0.756SS**  cis-174.7179.3-28.600000113
962K32.3Very low34.6Very low212 Ų212146.6 Ų146.692%0.92277%0.765SS**  trans96.5167.8151.4-66.3169-178.6172.10122
963K32.7Very low33.9Very low207 Ų207148 Ų14890%0.977%0.765SS**  trans-132159.2-165.2-61.2177.1175.6-179.60112.7
964S40.8Very low33.6Very low131 Ų131151.1 Ų151.192%0.91677%0.772SS**  trans-152.7-165.5155.376.10000113.3
965N33.7Very low33.6Very low144 Ų144151.9 Ų151.977%0.7778%0.779SS**  -147.3166.3-128.8-162.30.2000116.7
966K34.3Very low33.3Very low197 Ų197155 Ų15586%0.85779%0.786SS**  trans75.8124.3166.2-60.7178.7175.8177.20120.4
967G33.7Very low32.9Very low71 Ų71155.4 Ų155.473%0.73279%0.789SS**  trans146.4131.5142.400000119.9
968K33.5Very low32.8Very low200 Ų200153.5 Ų153.587%0.8778%0.784SS**  trans71.7117.5159.6-62.4173.2179.4171.50120.8
969R26.6Very low32.6Very low236 Ų236155.8 Ų155.889%0.89179%0.785SS**SBendtrans47.6133139.8-70.6-178.8170.6170.9-2.7120.5
970K31.3Very low32.4Very low214 Ų214155.7 Ų155.793%0.9379%0.79SS**  trans64.495.7-178.2-71.7-174.1174.9-178.30113.1
971Q34.6Very low32.5Very low153 Ų153153.3 Ų153.372%0.71579%0.793SS**  trans-138.2140.2-179.8-72.3172.4-99.600110.6
972N29.9Very low32.7Very low154 Ų154156.4 Ų156.482%0.82480%0.798SS**  trans-80.5148.7145.4-65.2-22.2000107.2
973D29Very low33Very low129 Ų129154.1 Ų154.169%0.6980%0.795SS**  trans-158.1122.4141.2-85.5-34.1000103.7
974D31.3Very low33.1Very low135 Ų135147.8 Ų147.872%0.72279%0.789SS**  60.494.282.4-75.714.8000110.3
975S34.5Very low32.7Very low98 Ų98152.5 Ų152.569%0.68579%0.788SS**  70.5115.779.486.90000112.6
976F29Very low32.7Very low202 Ų202150 Ų15089%0.88678%0.782SS**  trans-138124.2160.5-144.7-100.8000108.5
977L31.2Very low33Very low138 Ų138147.2 Ų147.272%0.72378%0.784SS**  trans-83.9145.4162.6-62.8108.4000107.7
978N31.1Very low33.1Very low128 Ų128147.5 Ų147.568%0.68479%0.787SS**  179.6152.2113.1-90.99.9000112
979D32.7Very low33.2Very low128 Ų128143 Ų14368%0.68478%0.781SS**  trans44.2116.1145.5-50.1-23.3000121.5
980D32.1Very low33.5Very low150 Ų150140.5 Ų140.580%0.80278%0.776SS**  72.5158.8128.1-72.6-15.7000123.5
981S36.7Very low33.4Very low111 Ų111139.6 Ų139.678%0.77677%0.772SS**  trans62.597.5169.156.90000118.4
982D36.2Very low33.2Very low146 Ų146138 Ų13878%0.78177%0.773SS**  50.1143.3114.4-128.3-18.5000122.6
983L37.4Very low33.2Very low164 Ų164139.4 Ų139.486%0.85977%0.772SS**  trans64.1152.7164.2-52172.4000118.8
984G35.3Very low33.2Very low74 Ų74139.6 Ų139.676%0.76377%0.773SS**  trans128.448.1149.300000123
985Y32Very low33.2Very low230 Ų230142 Ų14290%0.90278%0.777SS**  trans70.2-174.1143.9-143.8-108.2000120.1
986S35.1Very low32.9Very low93 Ų93147.4 Ų147.465%0.6578%0.783SS**  trans-148.5164.8-171.7-51.60000112.1
987P40.3Very low32.8Very low137 Ų137144.8 Ų144.889%0.8977%0.771SS**  -139151.5101.434.5-20.8000111.4
988G35.7Very low32.7Very low78 Ų78148.5 Ų148.580%0.80478%0.775SS**  cis127.7154.642.200000106.4
989S35.1Very low32.5Very low106 Ų106152 Ų15274%0.74179%0.785SS**  cis-158.4167.4-567.20000107.2
990K33.4Very low32.3Very low182 Ų182149.3 Ų149.379%0.79179%0.787SS**  cis-133.4128.19.7-61.9169.9-176.3168.60107.6
991K29.8Very low32.1Very low195 Ų195153.5 Ų153.585%0.84879%0.791SS**  52.2123.6109.8-61-176.7-179.7179.20114.6
992T28.9Very low31.7Very low120 Ų120157.6 Ų157.674%0.73679%0.79SS**  cis-153.114714.6-16.80000114.8
993K29.7Very low31.3Very low183 Ų183156.2 Ų156.280%0.79679%0.792SS**  trans1.9136.6148.2-60.8171.9-176-179.90116.8
994N30.2Very low30.8Very low134 Ų134154.7 Ų154.772%0.71778%0.782SS**  cis-153.414820.7-116.8-15.2000115.1
995K29.7Very low30.5Very low185 Ų185160.6 Ų160.680%0.80478%0.781SS**  trans16.9116.8134.1-77.9-177.8179.6-177.20116.6
996R28.8Very low30.2Very low211 Ų211157.3 Ų157.380%0.79677%0.774SS**  cis39.6127.346.5-68.4-176.6169.5-171.91.1112.5
997K27.9Very low30.1Very low148 Ų148161.7 Ų161.764%0.64378%0.781SS**  cis-174.2146.56.2-114.4172.4179.7178.20106.9
998R28.1Very low29.5Very low215 Ų215161.4 Ų161.481%0.81177%0.772SS**  trans49.2154.9138.9-66.2178.8160.6-179.4-6.9122.1
999K27.2Very low29.4Very low203 Ų203165.7 Ų165.788%0.88378%0.775SS**  trans81.490.4154.5-70.6172.5176.7-174.70119.3
1000G29.2Very low29.1Very low71 Ų71166 Ų16673%0.73278%0.777SS**  trans-149.6124137.300000105.9
1001R27.5Very low29.1Very low238 Ų238162 Ų16290%0.89878%0.778SS**  cis54.8119.645.5-77.1-178.3162.5-172.7-7.1110.9
1002R28.9Very low29.1Very low197 Ų197157.4 Ų157.474%0.74377%0.77SS**  cis-136.3134.519.4-96.5152.4174.8154.6-7112.7M1004R1002-M1004 HydrophobicContact CB-CG 4.14Å; R1002-M1004 HydrophobicContact CG-CG 4.15Å
1003S26.1Very low29.3Very low117 Ų117158.6 Ų158.682%0.81877%0.769SS**  -65.6135.1126.245.80000108.5
1004M28.7Very low29.5Very low131 Ų131158.1 Ų158.165%0.64577%0.77SS**  trans-119.4115.1152.8-77.7-156.9-65.900105.1R1002R1002-M1004 HydrophobicContact CB-CG 4.14Å; R1002-M1004 HydrophobicContact CG-CG 4.15Å
1005R27.8Very low29.7Very low199 Ų199154.9 Ų154.975%0.75177%0.768SS**  84.3113.6103.4-78.5-177.6157.6176.3-8.4110.4
1006E26.8Very low29.8Very low160 Ų160151.3 Ų151.375%0.74877%0.767SS**  57.986.763-55.4169.3147.500110.9
1007K31.5Very low30Very low185 Ų185148 Ų14880%0.80477%0.765SS**  -171129.3105.9-93.1168.4177.3-158.90107.7
1008D28Very low30.1Very low132 Ų132146.2 Ų146.271%0.70677%0.771SS**  57.295.973.4-51.7-43000111.6
1009I33.5Very low30.4Very low168 Ų168139.5 Ų139.586%0.86277%0.769SS**  -174.5146.2116.8-91152.8000108.5
1010S30Very low30.5Very low111 Ų111136 Ų13678%0.77677%0.765SS**  trans-73.5140.7178.151.40000113.2
1011A32.2Very low30.7Very low98 Ų98140.4 Ų140.481%0.8177%0.771SS**  -164.9153.4129.900000112.7
1012S30.3Very low30.8Very low99 Ų99137.5 Ų137.569%0.69277%0.767SS**  trans-44.3160.5174.648.50000120.7
1013M33.5Very low31Very low146 Ų146138.1 Ų138.172%0.71978%0.775SS**  trans86.5112.9140.7-79.8160.7135.200121.9
1014E33.3Very low31.2Very low172 Ų172136 Ų13680%0.80477%0.771SS**  71153.4123.6-66.1168.3-161.100122.1
1015G34.3Very low31.7Very low66 Ų66136.1 Ų136.168%0.6878%0.782SS**  trans82.5103.8177.800000113.9
1016S31.9Very low32.1Very low111 Ų111132.4 Ų132.478%0.77679%0.786SS**  cis83.51374783.90000114.6
1017D33.3Very low32.5Very low141 Ų141131 Ų13175%0.75479%0.789SS**  trans61.6122.5178.7-70.4-66.4000117
1018S30.5Very low32.8Very low110 Ų110128.1 Ų128.177%0.76979%0.789SS**  82.2141.95294.90000113
1019G32.9Very low33.2Very low75 Ų75125.8 Ų125.877%0.77378%0.783SS**  trans139.197.9-171.500000113.3
1020T30Very low33.2Very low130 Ų130128.4 Ų128.480%0.79878%0.782SS**  trans-60.9154.2166.4450000112.2
1021L33.1Very low33.5Very low163 Ų163131.5 Ų131.585%0.85378%0.782SS**  177.4152114.2-95165.2000113.1
1022E29.6Very low33.6Very low176 Ų176135.1 Ų135.182%0.82278%0.779SS**  trans-80.2153.3174.4-52.8175.9119.400112
1023K34Very low33.8Very low211 Ų211139.6 Ų139.692%0.91779%0.786SS**  trans-162.6140.7141.6-108.4144-168.9170.20112.9
1024G29.9Very low33.8Very low71 Ų71142.1 Ų142.173%0.73279%0.793SS**  trans-90.2-152.6-176.600000114.8
1025P40.2Very low33.7Very low134 Ų134138 Ų13887%0.8779%0.789SS**  -119.6162.5-125.940.3-31.4000115.7
1026S34.7Very low33.6Very low121 Ų121139.2 Ų139.285%0.84679%0.792SS**  trans-144.8111.5166.649.20000113.8
1027T36.2Very low33.6Very low132 Ų132139.4 Ų139.481%0.8179%0.793SS**  trans-72.9166.4154.959.60000108.5
1028P38.4Very low33.4Very low124 Ų124137.4 Ų137.481%0.80579%0.791SS**  cis-148.6-159.642.741.3-15.5000113.7
1029S35Very low33.3Very low82 Ų82137.1 Ų137.157%0.57379%0.788SS**  cis-163.9162.312.878.20000113.6
1030R33.4Very low33.2Very low223 Ų223144.5 Ų144.584%0.84279%0.793SS**  trans48143.6135.9-65.6167.1168.9-177.2-4.4119.1
1031K35.9Very low33.1Very low176 Ų176149.7 Ų149.777%0.76580%0.798SS**  cis-153172.829.4-67.891.6176.7-174.80108.3
1032K35.8Very low32.7Very low174 Ų174146.7 Ų146.776%0.75779%0.791SS**  cis-171.8116-27.5-95177.9176.8-179.90108.4
1033K33.6Very low32.8Very low193 Ų193145.2 Ų145.284%0.83979%0.794SS**  trans65.4176147.2-54.1-179.7175.8-171.90116.7
1034K34.2Very low32.5Very low200 Ų200139.7 Ų139.787%0.8779%0.787SS**  cis-146.9-165.6-8.5-143.6-166.9179-169.80109.5
1035A31.1Very low32.6Very low86 Ų86146.8 Ų146.871%0.71180%0.798SS**  -156.4175.7-117.300000113.2
1036A31.6Very low32.1Very low91 Ų91145.1 Ų145.175%0.75280%0.795SS**  trans86.4148.315400000122.5
1037S33.5Very low31.9Very low115 Ų115145.7 Ų145.780%0.80479%0.794SS**  trans72.7155.7150.570.10000121.2
1038S28.8Very low31.7Very low99 Ų99147 Ų14769%0.69280%0.795SS**  cis-171.6141.6-37.953.40000113
1039S27.7Very low31.4Very low103 Ų103150.5 Ų150.572%0.7280%0.797SS**  trans67.3172.1154.782.40000120.9
1040R30.3Very low31Very low231 Ų231152.2 Ų152.287%0.87281%0.809SS**  trans71.1114.3-180-58.5178.9177.7-173.9-2.6114.8
1041R27.2Very low31Very low239 Ų239152.7 Ų152.790%0.90281%0.811SS**  70.1119.467.5-89.1-167.4173.2175.3-1.1114.4
1042S26.7Very low30.8Very low100 Ų100152.1 Ų152.170%0.69981%0.811SS**  trans44.4121.114760.70000120.2
1043T31.7Very low30.8Very low145 Ų145151.2 Ų151.289%0.8981%0.813SS**  -172.7149.2111.921.10000111.1
1044A26.8Very low30.7Very low95 Ų95149.6 Ų149.679%0.78581%0.812SS**  trans-88.6148.316300000110.2
1045K31.7Very low30.6Very low219 Ų219145 Ų14595%0.95281%0.805SS**  trans-161.2139.8156.9-111.3165-172.7178.50109.3
1046A29.5Very low30.6Very low99 Ų99145.8 Ų145.882%0.81881%0.806SS**  trans-121.4148.4-161.800000114.3
1047T31.6Very low30.6Very low133 Ų133147.4 Ų147.482%0.81681%0.807SS**  trans-152.9144.3157.546.60000107.7
1048I31.9Very low30.6Very low160 Ų160147 Ų14782%0.82180%0.804SS**  cis-144.3175.7-8.3-129.5166.6000109.9
1049K30.5Very low30.8Very low197 Ų197147 Ų14786%0.85780%0.804SS**  trans-68.6153.7-167.4-60.6177.6174.4-177.50116.1
1050S28.2Very low31.2Very low119 Ų119146.3 Ų146.383%0.83280%0.799SS**  trans-85.4-176.6154.448.50000111.9
1051R33.6Very low31.3Very low232 Ų232142.4 Ų142.488%0.87580%0.796SS**  trans-66.9165-174-101.2173.8161.3154.8-8.8115.7
1052E30.2Very low31.8Very low164 Ų164140 Ų14077%0.76680%0.795SS**  trans-70.4156.8172.2-51.2113.5127.100113.7
1053I35.7Very low32.1Very low155 Ų155142.1 Ų142.180%0.79580%0.798SS**  176.2117112.5-85.8156.1000110.9
1054L32.1Very low32.4Very low159 Ų159142 Ų14283%0.83279%0.792SS**  trans26.4159.6147.3-62.8164.7000124.9
1055S32.2Very low32.8Very low103 Ų103145.5 Ų145.572%0.7279%0.789SS**  trans66113.1169.731.40000116.6
1056S30.6Very low33.1Very low104 Ų104142.3 Ų142.373%0.72778%0.781SS**  68.7132.471.374.60000113
1057T32.2Very low33.5Very low124 Ų124143.1 Ų143.176%0.76178%0.778SS**  cis-161.1164.121.7-18.70000110.8
1058S33.7Very low33.7Very low106 Ų106143 Ų14374%0.74178%0.781SS**  trans36.9141.9150.957.70000122.2
1059S33.4Very low34.2Very low100 Ų100140.7 Ų140.770%0.69978%0.779SS**  cis-173.2169.9-7.252.40000109.5
1060S34.3Very low34.6Very low88 Ų88146.4 Ų146.462%0.61580%0.796SS**  trans54.9141.3141.760.60000122.9
1061D34.1Very low34.9Very low150 Ų150147.8 Ų147.880%0.80279%0.794SS**  cis-172.7-171.8-20.3-106.5-46000108.7
1062E36.4Very low35Very low189 Ų189143.4 Ų143.488%0.88379%0.789SS**  trans91.4104.4161-48.9-148.4137.700118.7
1063D33.9Very low35.3Very low143 Ų143142.2 Ų142.277%0.76579%0.791SS**  trans-62.8161.7152.8-74.3-85.7000111
1064D36.8Very low35.2Very low142 Ų142141.5 Ų141.576%0.75979%0.79SS**  trans-141.3144.6142.3-152.4-11.4000112.4
1065K35.9Very low35.4Very low170 Ų170140.4 Ų140.474%0.73979%0.788SS**  trans-142115.5-179.7-75.5176.7-173.9149.70109.9
1066I38.2Very low35.6Very low151 Ų151142.9 Ų142.977%0.77479%0.792SS**  trans-122.8112.3171-56.7178000110.5
1067P37.3Very low36Very low117 Ų117145.6 Ų145.676%0.7680%0.797SS**  trans-117.9112.3158.633.9-20.7000110.6
1068C35.7Very low36.3Very low129 Ų129147.3 Ų147.387%0.87280%0.8SS**  trans-151.7155.3161.2-116.60000112.7
1069S42.5Very low36.5Very low113 Ų113150.8 Ų150.879%0.7981%0.805SS**  trans-86.5140.2-167.554.20000114.6
1070R39.7Very low36.8Very low317 Ų317155.4 Ų155.4100%1.19681%0.814SS**  trans-149.50130-123.4-179.4-172.4-176.83111.3

Retrieved 1,070 of 1,070 residues in 298 ms (Link to these results)

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