A0A060WJA6_ONCMY Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A060WJA6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110525502, Length 267 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
1M45.7Very low64.2Low153 Ų153121.6 Ų121.675%0.75457%0.571SS**  0-470-163.1168.3166.200113.1K3 N4 K119M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.02Å; M1-N4 PolarHBondContact O-N 3.29Å; M1-N4 VanDerWaalsContact O-N 3.07Å; M1-K119 HydrophobicContact CE-CD 4.45Å
2F40.6Very low66.7Low169 Ų169115.1 Ų115.174%0.74154%0.542SS*.Hα-helixtrans-54.4-39.9174.1-77.5-81000114.4N4 V5 F6F2-N4 PolarHBondContact O-N 3.34Å; F2-N4 VanDerWaalsContact O-N 3.13Å; F2-V5 PolarHBondContact O-N 2.92Å; F2-F6 HydrophobicContact CB-CD2 4.49Å; F2-F6 HydrophobicContact CD1-CE2 4.17Å; F2-F6 WeakPolarHBondContact O-CD2 3.23Å; F2-F6 PolarHBondContact O-N 3.04Å; F2-F6 VanDerWaalsContact O-N 3.12Å
3K45.2Very low68.8Low182 Ų182110.2 Ų110.279%0.79152%0.515SS*.Hα-helixtrans-55-30.8175.6-74.2-175.1176.5-179.30113.9M1 R7M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.02Å; K3-R7 WeakPolarHBondContact O-CB 3.44Å; K3-R7 PolarHBondContact O-N 3.29Å
4N53.5Low70.7Confident111 Ų111105.5 Ų105.559%0.59450%0.498SS*.Hα-helixtrans-83.2-35-177.9-67.9-3.4000112.2M1 F2 R7 S8M1-N4 PolarHBondContact O-N 3.29Å; M1-N4 VanDerWaalsContact O-N 3.07Å; F2-N4 PolarHBondContact O-N 3.34Å; F2-N4 VanDerWaalsContact O-N 3.13Å; N4-R7 PolarHBondContact O-N 3.19Å; N4-S8 VanDerWaalsContact O-CB 3.25Å; N4-S8 WeakPolarHBondContact O-CB 3.41Å; N4-S8 PolarHBondContact O-N 3.37Å
5V52.7Low72.3Confident77 Ų77103.5 Ų103.547%0.46750%0.496SS..Hα-helixtrans-70.7-43.8177.8179.10000110.9F2 R7 S8 G9F2-V5 PolarHBondContact O-N 2.92Å; V5-R7 VanDerWaalsContact C-N 3.32Å; V5-R7 PolarHBondContact O-N 3.38Å; V5-S8 PolarHBondContact O-N 3.33Å; V5-G9 PolarHBondContact O-N 2.87Å
6F59.7Low73.8Confident150 Ų15099.3 Ų99.366%0.65848%0.475SS*.Hα-helixtrans-64.4-37.7174.4-80.5-77000112.1F2 F10F2-F6 HydrophobicContact CB-CD2 4.49Å; F2-F6 HydrophobicContact CD1-CE2 4.17Å; F2-F6 WeakPolarHBondContact O-CD2 3.23Å; F2-F6 PolarHBondContact O-N 3.04Å; F2-F6 VanDerWaalsContact O-N 3.12Å; F6-F10 WeakPolarHBondContact O-CB 3.33Å; F6-F10 PolarHBondContact O-N 3.49Å
7R68.4Low75.1Confident195 Ų19595.5 Ų95.574%0.73646%0.459SS*.Hα-helixtrans-72-37.2179.2-166.9173.2174.2-170.8-2.2112.5K3 N4 V5 L11K3-R7 WeakPolarHBondContact O-CB 3.44Å; K3-R7 PolarHBondContact O-N 3.29Å; N4-R7 PolarHBondContact O-N 3.19Å; V5-R7 VanDerWaalsContact C-N 3.32Å; V5-R7 PolarHBondContact O-N 3.38Å; R7-L11 VanDerWaalsContact O-CB 3.28Å; R7-L11 WeakPolarHBondContact O-CB 3.43Å; R7-L11 PolarHBondContact O-N 3.29Å
8S76.6Confident76.4Confident44 Ų4496 Ų9631%0.30846%0.464SS..Hα-helixtrans-68.4-51173.8-173.90000111.6N4 V5 F10 L11 I12 E133N4-S8 VanDerWaalsContact O-CB 3.25Å; N4-S8 WeakPolarHBondContact O-CB 3.41Å; N4-S8 PolarHBondContact O-N 3.37Å; V5-S8 PolarHBondContact O-N 3.33Å; S8-F10 VanDerWaalsContact C-N 3.32Å; S8-F10 PolarHBondContact O-N 3.44Å; S8-L11 PolarHBondContact O-N 3.09Å; S8-L11 VanDerWaalsContact O-N 3.14Å; S8-I12 PolarHBondContact O-N 3.38Å; S8-E133 VanDerWaalsContact CB-OE2 3.25Å; S8-E133 WeakPolarHBondContact CB-OE2 3.39Å; S8-E133 PolarHBondContact OG-OE2 3.48Å
9G82.9Confident77.5Confident2 Ų294.6 Ų94.62%0.02146%0.459CS..Hα-helixtrans-54.3-45.1174.600000113.3V5 R13V5-G9 PolarHBondContact O-N 2.87Å; G9-R13 WeakPolarHBondContact O-CB 3.18Å; G9-R13 WeakPolarHBondContact O-CD 3.35Å; G9-R13 WeakPolarHBondContact O-CG 3.45Å; G9-R13 PolarHBondContact O-N 3.43Å
10F89.1Confident78.5Confident145 Ų14591.1 Ų91.164%0.63644%0.443SS*.Hα-helixtrans-65.6-45.9176.3179-98.2000112.1F6 S8 I12 T14F6-F10 WeakPolarHBondContact O-CB 3.33Å; F6-F10 PolarHBondContact O-N 3.49Å; S8-F10 VanDerWaalsContact C-N 3.32Å; S8-F10 PolarHBondContact O-N 3.44Å; F10-I12 PolarHBondContact O-N 3.03Å; F10-T14 VanDerWaalsContact O-CB 3.23Å; F10-T14 WeakPolarHBondContact O-CB 3.31Å; F10-T14 PolarHBondContact O-N 3.36Å; F10-T14 PolarHBondContact O-OG1 3.43Å
11L92.3Very high79.4Confident110 Ų11092 Ų9258%0.57644%0.442SS*.Hα-helixtrans-60.8-46.9-179.2179.562.6000111.6R7 S8 T14 T15R7-L11 VanDerWaalsContact O-CB 3.28Å; R7-L11 WeakPolarHBondContact O-CB 3.43Å; R7-L11 PolarHBondContact O-N 3.29Å; S8-L11 PolarHBondContact O-N 3.09Å; S8-L11 VanDerWaalsContact O-N 3.14Å; L11-T14 PolarHBondContact O-N 3.47Å; L11-T15 VanDerWaalsContact O-CB 3.31Å; L11-T15 WeakPolarHBondContact O-CB 3.03Å; L11-T15 PolarHBondContact O-N 3.39Å; L11-T15 PolarHBondContact O-OG1 3.22Å
12I93.8Very high81.9Confident43 Ų4388.4 Ų88.422%0.22143%0.429CS..Hα-helixtrans-66.9-45.6-176.9-72.4162.4000111S8 F10 T14 T15 H16 W131 E133S8-I12 PolarHBondContact O-N 3.38Å; F10-I12 PolarHBondContact O-N 3.03Å; I12-T14 PolarHBondContact O-N 2.88Å; I12-T15 PolarHBondContact O-N 2.91Å; I12-H16 WeakPolarHBondContact O-CB 3.2Å; I12-H16 PolarHBondContact O-N 2.99Å; I12-W131 VanDerWaalsContact CG2-O 3.28Å; I12-W131 WeakPolarHBondContact CG2-O 3.42Å; I12-E133 HydrophobicContact CB-CG 3.92Å; I12-E133 HydrophobicContact CD1-CG 3.25Å; I12-E133 WeakPolarHBondContact CD1-OE1 3.46Å; I12-E133 HydrophobicContact CG1-CG 4.13Å; I12-E133 HydrophobicContact CG2-CG 4.13Å
13R94.4Very high84.7Confident51 Ų5181.3 Ų81.319%0.19240%0.398CS..Hα-helixtrans-62-43.5175.5-67173-172.8117.64.3112.2G9 T15 H16 V17 Y60 F61 S64G9-R13 WeakPolarHBondContact O-CB 3.18Å; G9-R13 WeakPolarHBondContact O-CD 3.35Å; G9-R13 WeakPolarHBondContact O-CG 3.45Å; G9-R13 PolarHBondContact O-N 3.43Å; R13-T15 VanDerWaalsContact C-N 3.34Å; R13-H16 PolarHBondContact O-N 3.13Å; R13-V17 VanDerWaalsContact O-CG2 3.3Å; R13-V17 WeakPolarHBondContact O-CG2 3.44Å; R13-V17 PolarHBondContact O-N 3.17Å; R13-Y60 WeakPolarHBondContact CA-OH 3.34Å; R13-Y60 HydrophobicContact CB-CE1 4.14Å; R13-Y60 HydrophobicContact CG-CE1 3.87Å; R13-Y60 WeakPolarHBondContact CG-OH 3.33Å; R13-F61 HydrophobicContact CB-CE1 4.33Å; R13-F61 HydrophobicContact CG-CE1 4.46Å; R13-S64 PolarHBondContact NE-OG 3.29Å; R13-S64 PolarHBondContact NH2-O 2.93Å; R13-S64 VanDerWaalsContact NH2-O 3.09Å; R13-S64 PolarHBondContact NH2-OG 3.07Å; R13-S64 VanDerWaalsContact NH2-OG 3.12Å
14T94.8Very high87.2Confident45 Ų4573.1 Ų73.128%0.27636%0.363SS..Hα-helixtrans-62.9-43.8177.1-57.90000110.8F10 L11 I12 V17 L18F10-T14 VanDerWaalsContact O-CB 3.23Å; F10-T14 WeakPolarHBondContact O-CB 3.31Å; F10-T14 PolarHBondContact O-N 3.36Å; F10-T14 PolarHBondContact O-OG1 3.43Å; L11-T14 PolarHBondContact O-N 3.47Å; I12-T14 PolarHBondContact O-N 2.88Å; T14-V17 PolarHBondContact O-N 3.06Å; T14-L18 HydrophobicContact CG2-CD1 3.8Å; T14-L18 HydrophobicContact CG2-CG 4.19Å; T14-L18 WeakPolarHBondContact O-CB 3.5Å; T14-L18 VanDerWaalsContact O-CG 3.24Å; T14-L18 WeakPolarHBondContact O-CG 3.35Å; T14-L18 PolarHBondContact O-N 3.44Å
15T95.3Very high89.3Confident76 Ų7672.4 Ų72.447%0.46636%0.359SS..Hα-helixtrans-63.6-44.7179.5-57.60000111.2L11 I12 R13 L18 L19L11-T15 VanDerWaalsContact O-CB 3.31Å; L11-T15 WeakPolarHBondContact O-CB 3.03Å; L11-T15 PolarHBondContact O-N 3.39Å; L11-T15 PolarHBondContact O-OG1 3.22Å; I12-T15 PolarHBondContact O-N 2.91Å; R13-T15 VanDerWaalsContact C-N 3.34Å; T15-L18 PolarHBondContact O-N 2.82Å; T15-L19 VanDerWaalsContact O-CB 3.26Å; T15-L19 WeakPolarHBondContact O-CB 3.08Å; T15-L19 PolarHBondContact O-N 3.48Å
16H96.1Very high91.4Very high35 Ų3570.1 Ų70.116%0.16234%0.344CS..Hα-helixtrans-57.7-53.1175.2-180-74.8000111.1I12 R13 L18 L19 T20 Y60 Y147I12-H16 WeakPolarHBondContact O-CB 3.2Å; I12-H16 PolarHBondContact O-N 2.99Å; R13-H16 PolarHBondContact O-N 3.13Å; H16-L18 PolarHBondContact O-N 3.03Å; H16-L19 PolarHBondContact O-N 3.13Å; H16-T20 PolarHBondContact O-N 3.07Å; H16-T20 PolarHBondContact O-OG1 2.68Å; H16-Y60 HydrophobicContact CB-CE1 4.13Å; H16-Y60 HydrophobicContact CB-CE2 4.26Å; H16-Y60 AromaticContact CD2-CD2 3.71Å; H16-Y60 AromaticContact CD2-CE2 3.61Å; H16-Y60 AromaticContact CE1-CD2 3.88Å; H16-Y60 AromaticContact CE1-CG 3.72Å; H16-Y60 AromaticContact CG-CE2 3.81Å; H16-Y60 AromaticContact CG-CZ 3.81Å; H16-Y60 AromaticContact ND1-CD1 3.86Å; H16-Y60 AromaticContact ND1-CG 3.9Å; H16-Y60 AromaticContact NE2-CD2 3.61Å; H16-Y60 AromaticContact NE2-CG 3.94Å; H16-Y147 PolarHBondContact NE2-OH 3.3Å
17V96.3Very high93.2Very high35 Ų3563 Ų6321%0.21231%0.313CS..Hα-helixtrans-61-46.5-179.1172.10000111.5R13 T14 L19 T20 W21 V57 F61R13-V17 VanDerWaalsContact O-CG2 3.3Å; R13-V17 WeakPolarHBondContact O-CG2 3.44Å; R13-V17 PolarHBondContact O-N 3.17Å; T14-V17 PolarHBondContact O-N 3.06Å; V17-L19 PolarHBondContact O-N 3.4Å; V17-T20 PolarHBondContact O-N 2.88Å; V17-W21 PolarHBondContact O-N 3.29Å; V17-V57 HydrophobicContact CG2-CG1 4.49Å; V17-F61 HydrophobicContact CG2-CE2 3.74Å; V17-F61 HydrophobicContact CG2-CZ 3.78Å
18L97.4Very high94.6Very high105 Ų10555.3 Ų55.355%0.5529%0.285SS..Hα-helixtrans-60.3-47177.7-73.6175.7000111.4T14 T15 H16 T20 W21 V22T14-L18 HydrophobicContact CG2-CD1 3.8Å; T14-L18 HydrophobicContact CG2-CG 4.19Å; T14-L18 WeakPolarHBondContact O-CB 3.5Å; T14-L18 VanDerWaalsContact O-CG 3.24Å; T14-L18 WeakPolarHBondContact O-CG 3.35Å; T14-L18 PolarHBondContact O-N 3.44Å; T15-L18 PolarHBondContact O-N 2.82Å; H16-L18 PolarHBondContact O-N 3.03Å; L18-T20 PolarHBondContact O-N 2.72Å; L18-W21 PolarHBondContact O-N 3.32Å; L18-V22 WeakPolarHBondContact O-CB 3.12Å; L18-V22 VanDerWaalsContact O-CG2 3.22Å; L18-V22 WeakPolarHBondContact O-CG2 3.12Å; L18-V22 PolarHBondContact O-N 3.48Å
19L97.6Very high95.5Very high70 Ų7058.3 Ų58.337%0.36630%0.297SS..Hα-helixtrans-60.7-45.7178.9-177.362.1000111.5T15 H16 V17 W21 V22 I23 V188 L192T15-L19 VanDerWaalsContact O-CB 3.26Å; T15-L19 WeakPolarHBondContact O-CB 3.08Å; T15-L19 PolarHBondContact O-N 3.48Å; H16-L19 PolarHBondContact O-N 3.13Å; V17-L19 PolarHBondContact O-N 3.4Å; L19-W21 PolarHBondContact O-N 3.29Å; L19-V22 PolarHBondContact O-N 2.84Å; L19-I23 HydrophobicContact CD1-CD1 3.84Å; L19-I23 HydrophobicContact CD1-CG1 4.27Å; L19-I23 HydrophobicContact CG-CD1 3.9Å; L19-I23 VanDerWaalsContact O-CG1 3.32Å; L19-I23 WeakPolarHBondContact O-CG1 2.99Å; L19-I23 PolarHBondContact O-N 2.85Å; L19-V188 HydrophobicContact CD1-CG1 4.27Å; L19-L192 HydrophobicContact CD2-CD1 4.17Å
20T97.8Very high96Very high23 Ų2360.6 Ų60.614%0.14131%0.307CS..Hα-helixtrans-58.3-48.6177.7-56.80000111.6H16 V17 L18 T24 V53 V57H16-T20 PolarHBondContact O-N 3.07Å; H16-T20 PolarHBondContact O-OG1 2.68Å; V17-T20 PolarHBondContact O-N 2.88Å; L18-T20 PolarHBondContact O-N 2.72Å; T20-T24 WeakPolarHBondContact O-CB 3.46Å; T20-T24 PolarHBondContact O-N 2.89Å; T20-T24 PolarHBondContact O-OG1 3.12Å; T20-V53 HydrophobicContact CG2-CG1 3.6Å; T20-V57 HydrophobicContact CG2-CG2 3.98Å
21W97.8Very high96.2Very high112 Ų11256.3 Ų56.342%0.42429%0.29SS..Hα-helixtrans-72.8-36.5-178.2-72.9114.2000112.9V17 L18 L19 T24 L25V17-W21 PolarHBondContact O-N 3.29Å; L18-W21 PolarHBondContact O-N 3.32Å; L19-W21 PolarHBondContact O-N 3.29Å; W21-T24 HydrophobicContact CE3-CG2 4.46Å; W21-T24 PolarHBondContact O-N 3.43Å; W21-L25 WeakPolarHBondContact O-CB 3.42Å; W21-L25 WeakPolarHBondContact O-CG 3.23Å; W21-L25 PolarHBondContact O-N 3.23Å
22V98.4Very high96.4Very high77 Ų7751 Ų5147%0.46726%0.263SS..Hα-helixtrans-61.4-47.5174.6167.60000110.9L18 L19 T24 L25 I26L18-V22 WeakPolarHBondContact O-CB 3.12Å; L18-V22 VanDerWaalsContact O-CG2 3.22Å; L18-V22 WeakPolarHBondContact O-CG2 3.12Å; L18-V22 PolarHBondContact O-N 3.48Å; L19-V22 PolarHBondContact O-N 2.84Å; V22-T24 PolarHBondContact O-N 3.22Å; V22-L25 PolarHBondContact O-N 2.77Å; V22-I26 HydrophobicContact CG1-CD1 4.08Å; V22-I26 WeakPolarHBondContact O-CG1 3.14Å; V22-I26 PolarHBondContact O-N 3.46Å
23I98.1Very high96.5Very high19 Ų1951.8 Ų51.810%0.09727%0.267CS..Hα-helixtrans-60.8-47.6176.3-68.4167.8000110L19 L25 I26 L27 V188 V189L19-I23 HydrophobicContact CD1-CD1 3.84Å; L19-I23 HydrophobicContact CD1-CG1 4.27Å; L19-I23 HydrophobicContact CG-CD1 3.9Å; L19-I23 VanDerWaalsContact O-CG1 3.32Å; L19-I23 WeakPolarHBondContact O-CG1 2.99Å; L19-I23 PolarHBondContact O-N 2.85Å; I23-L25 VanDerWaalsContact C-N 3.32Å; I23-L25 PolarHBondContact O-N 3.22Å; I23-I26 WeakPolarHBondContact O-CB 3.12Å; I23-I26 PolarHBondContact O-N 2.93Å; I23-I26 VanDerWaalsContact O-N 3.15Å; I23-L27 HydrophobicContact CG2-CD1 4.42Å; I23-L27 WeakPolarHBondContact O-CG 3.25Å; I23-L27 PolarHBondContact O-N 3.25Å; I23-V188 HydrophobicContact CD1-CG1 3.97Å; I23-V189 HydrophobicContact CD1-CG2 3.96Å; I23-V189 HydrophobicContact CG2-CG2 3.74Å
24T97.6Very high96.5Very high10 Ų1049.3 Ų49.36%0.06126%0.258CS..Hα-helixtrans-57.3-46178.7-57.10000111.2T20 W21 V22 I26 L27 F28 F49T20-T24 WeakPolarHBondContact O-CB 3.46Å; T20-T24 PolarHBondContact O-N 2.89Å; T20-T24 PolarHBondContact O-OG1 3.12Å; W21-T24 HydrophobicContact CE3-CG2 4.46Å; W21-T24 PolarHBondContact O-N 3.43Å; V22-T24 PolarHBondContact O-N 3.22Å; T24-I26 PolarHBondContact O-N 3.46Å; T24-L27 WeakPolarHBondContact O-CB 3.31Å; T24-L27 PolarHBondContact O-N 3.45Å; T24-L27 VanDerWaalsContact O-N 3.17Å; T24-F28 HydrophobicContact CG2-CD2 3.84Å; T24-F28 HydrophobicContact CG2-CE2 3.88Å; T24-F28 WeakPolarHBondContact O-CD2 3.48Å; T24-F28 PolarHBondContact O-N 2.78Å; T24-F49 HydrophobicContact CG2-CE1 4.33Å
25L97.6Very high96.5Very high96 Ų9651 Ų5150%0.50326%0.26SS..Hα-helixtrans-61-43.1176.7-73.4170.4000112.1W21 V22 I23 L27 F28 L29W21-L25 WeakPolarHBondContact O-CB 3.42Å; W21-L25 WeakPolarHBondContact O-CG 3.23Å; W21-L25 PolarHBondContact O-N 3.23Å; V22-L25 PolarHBondContact O-N 2.77Å; I23-L25 VanDerWaalsContact C-N 3.32Å; I23-L25 PolarHBondContact O-N 3.22Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 PolarHBondContact O-N 2.79Å; L25-F28 PolarHBondContact O-N 3.06Å; L25-F28 VanDerWaalsContact O-N 3.15Å; L25-L29 HydrophobicContact CB-CD1 4.37Å; L25-L29 VanDerWaalsContact O-CB 3.28Å; L25-L29 WeakPolarHBondContact O-CB 3.34Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å; L25-L29 PolarHBondContact O-N 3.43Å
26I97.7Very high96.6Very high30 Ų3051.6 Ų51.615%0.15425%0.253CS..Hα-helixtrans-55.8-45.5174.9-70.2166.4000110.2V22 I23 T24 F28 L29 H30 F181 L182 A185V22-I26 HydrophobicContact CG1-CD1 4.08Å; V22-I26 WeakPolarHBondContact O-CG1 3.14Å; V22-I26 PolarHBondContact O-N 3.46Å; I23-I26 WeakPolarHBondContact O-CB 3.12Å; I23-I26 PolarHBondContact O-N 2.93Å; I23-I26 VanDerWaalsContact O-N 3.15Å; T24-I26 PolarHBondContact O-N 3.46Å; I26-F28 VanDerWaalsContact C-N 3.33Å; I26-F28 PolarHBondContact O-N 2.87Å; I26-L29 PolarHBondContact O-N 3.43Å; I26-H30 WeakPolarHBondContact O-CB 3.5Å; I26-H30 PolarHBondContact O-CD2 3.33Å; I26-H30 PolarHBondContact O-N 2.94Å; I26-F181 HydrophobicContact CG2-CB 4.33Å; I26-L182 HydrophobicContact CG2-CD2 4.08Å; I26-A185 HydrophobicContact CD1-CB 4.47Å; I26-A185 HydrophobicContact CG2-CB 4.06Å
27L97.7Very high96.5Very high1 Ų151.7 Ų51.71%0.00525%0.254CS..Hα-helixtrans-64.2-35.6179.3-59.6179.4000112.9I23 T24 L25 T32 L34 F49 A158 I161 A162I23-L27 HydrophobicContact CG2-CD1 4.42Å; I23-L27 WeakPolarHBondContact O-CG 3.25Å; I23-L27 PolarHBondContact O-N 3.25Å; T24-L27 WeakPolarHBondContact O-CB 3.31Å; T24-L27 PolarHBondContact O-N 3.45Å; T24-L27 VanDerWaalsContact O-N 3.17Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 PolarHBondContact O-N 2.79Å; L27-T32 WeakPolarHBondContact O-CG2 3.43Å; L27-T32 PolarHBondContact O-OG1 2.98Å; L27-L34 HydrophobicContact CB-CD2 4.46Å; L27-F49 HydrophobicContact CD1-CE1 4Å; L27-F49 HydrophobicContact CD1-CZ 3.71Å; L27-A158 HydrophobicContact CD1-CB 3.86Å; L27-I161 HydrophobicContact CB-CG2 4.03Å; L27-I161 HydrophobicContact CD1-CB 4.44Å; L27-I161 HydrophobicContact CD1-CG2 4.29Å; L27-I161 HydrophobicContact CD2-CB 4.47Å; L27-I161 HydrophobicContact CD2-CG2 4.06Å; L27-I161 HydrophobicContact CG-CG2 4.34Å; L27-A162 HydrophobicContact CD2-CB 3.81Å
28F96.9Very high96.5Very high32 Ų3255 Ų5514%0.1426%0.262CS..Hα-helixtrans-82.3-23.6179.8-90.1-85.9000114.8T24 L25 I26 L34 R38 P46 F49 S50T24-F28 HydrophobicContact CG2-CD2 3.84Å; T24-F28 HydrophobicContact CG2-CE2 3.88Å; T24-F28 WeakPolarHBondContact O-CD2 3.48Å; T24-F28 PolarHBondContact O-N 2.78Å; L25-F28 PolarHBondContact O-N 3.06Å; L25-F28 VanDerWaalsContact O-N 3.15Å; I26-F28 VanDerWaalsContact C-N 3.33Å; I26-F28 PolarHBondContact O-N 2.87Å; F28-L34 HydrophobicContact CD1-CD2 4.17Å; F28-L34 HydrophobicContact CD2-CD2 3.62Å; F28-L34 HydrophobicContact CE1-CD2 3.97Å; F28-L34 HydrophobicContact CE1-CG 4.19Å; F28-L34 HydrophobicContact CE2-CD2 3.38Å; F28-L34 HydrophobicContact CE2-CG 4.41Å; F28-L34 HydrophobicContact CG-CD2 4.02Å; F28-L34 HydrophobicContact CZ-CD2 3.56Å; F28-L34 HydrophobicContact CZ-CG 4.13Å; F28-R38 PolarHBondContact O-NH1 3.2Å; F28-P46 HydrophobicContact CE1-CB 3.96Å; F28-P46 HydrophobicContact CZ-CB 4.21Å; F28-F49 HydrophobicContact CE2-CD1 4.15Å; F28-S50 WeakPolarHBondContact CZ-OG 2.98Å
29L95.7Very high96.4Very high108 Ų10855 Ų5557%0.56526%0.259SS*.Hα-helixtrans-96.1-28.5-175.8-67.7175.9000112.7L25 I26 R35L25-L29 HydrophobicContact CB-CD1 4.37Å; L25-L29 VanDerWaalsContact O-CB 3.28Å; L25-L29 WeakPolarHBondContact O-CB 3.34Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å; L25-L29 PolarHBondContact O-N 3.43Å; I26-L29 PolarHBondContact O-N 3.43Å; L29-R35 WeakPolarHBondContact O-CD 3.41Å; L29-R35 PolarHBondContact O-NH1 2.86Å
30H94.7Very high96.3Very high50 Ų5057.4 Ų57.423%0.23127%0.273CS..SBendtrans-87.3164.9174.2-75.2-91.6000111.9I26 T32 R35 F181 L182I26-H30 WeakPolarHBondContact O-CB 3.5Å; I26-H30 PolarHBondContact O-CD2 3.33Å; I26-H30 PolarHBondContact O-N 2.94Å; H30-T32 PolarHBondContact O-N 2.91Å; H30-R35 WeakPolarHBondContact O-CB 3.4Å; H30-R35 WeakPolarHBondContact O-CD 3.45Å; H30-F181 AromaticContact CE1-CD2 3.84Å; H30-F181 AromaticContact NE2-CD2 3.82Å; H30-F181 AromaticContact NE2-CG 3.88Å; H30-L182 HydrophobicContact CB-CD1 3.99Å; H30-L182 HydrophobicContact CB-CD2 3.87Å; H30-L182 HydrophobicContact CB-CG 3.92Å
31D93.1Very high96.2Very high54 Ų5459 Ų5929%0.28929%0.293SS..SBendtrans-75.354-174.5-170.634.3000113.6R36 G165 H167D31-R36 WeakPolarHBondContact OD1-CD 3.47Å; D31-R36 WeakPolarHBondContact OD1-CG 2.91Å; D31-R36 IonicContact OD1-NE 3.05Å; D31-G165 WeakPolarHBondContact O-CA 3.43Å; D31-H167 IonicContact OD2-CE1 2.66Å; D31-H167 PolarHBondContact OD2-CE1 3.47Å; D31-H167 IonicContact OD2-NE2 3.69Å; D31-H167 PolarHBondContact OD2-NE2 3.33Å; D31-H167 VanDerWaalsContact OD2-NE2 3.12Å
32T96.6Very high96.1Very high0 Ų059 Ų590%030%0.298CS..SBendtrans-82.4165.717370.80000110.5L27 H30 L34 R35 R36 I161 L182L27-T32 WeakPolarHBondContact O-CG2 3.43Å; L27-T32 PolarHBondContact O-OG1 2.98Å; H30-T32 PolarHBondContact O-N 2.91Å; T32-L34 PolarHBondContact O-N 3Å; T32-L34 VanDerWaalsContact O-N 3.11Å; T32-L34 WeakPolarHBondContact OG1-CB 3.17Å; T32-L34 PolarHBondContact OG1-N 3.4Å; T32-R35 PolarHBondContact O-N 3.38Å; T32-R35 PolarHBondContact OG1-N 2.73Å; T32-R36 PolarHBondContact O-N 2.71Å; T32-I161 WeakPolarHBondContact CB-O 3.33Å; T32-I161 HydrophobicContact CG2-CG2 4.04Å; T32-I161 WeakPolarHBondContact CG2-O 3.18Å; T32-L182 HydrophobicContact CG2-CD2 3.79Å
33D94.8Very high95.9Very high58 Ų5860 Ų6031%0.3130%0.301SS..Hα-helixtrans-51.8-34.7170.9-74.3-26.9000111.8R35 R36 Q37 S164D33-R35 PolarHBondContact O-N 2.86Å; D33-R36 PolarHBondContact O-N 2.87Å; D33-R36 IonicContact OD1-CZ 3.29Å; D33-R36 IonicContact OD1-NH1 2.76Å; D33-R36 PolarHBondContact OD1-NH1 3.06Å; D33-R36 IonicContact OD1-NH2 2.57Å; D33-R36 PolarHBondContact OD1-NH2 3.04Å; D33-Q37 WeakPolarHBondContact O-CB 3.25Å; D33-Q37 VanDerWaalsContact O-CG 3.29Å; D33-Q37 WeakPolarHBondContact O-CG 3.5Å; D33-Q37 PolarHBondContact O-N 2.94Å; D33-S164 VanDerWaalsContact CG-CB 3.45Å; D33-S164 PolarHBondContact N-OG 3.34Å; D33-S164 WeakPolarHBondContact OD2-CB 3.28Å
34L94.6Very high95.8Very high0 Ų066.5 Ų66.50%033%0.333CS..Hα-helixtrans-64.7-40.5-179.7-157.471.9000112.2L27 F28 T32 R38 Q45 P46 F49 I161L27-L34 HydrophobicContact CB-CD2 4.46Å; F28-L34 HydrophobicContact CD1-CD2 4.17Å; F28-L34 HydrophobicContact CD2-CD2 3.62Å; F28-L34 HydrophobicContact CE1-CD2 3.97Å; F28-L34 HydrophobicContact CE1-CG 4.19Å; F28-L34 HydrophobicContact CE2-CD2 3.38Å; F28-L34 HydrophobicContact CE2-CG 4.41Å; F28-L34 HydrophobicContact CG-CD2 4.02Å; F28-L34 HydrophobicContact CZ-CD2 3.56Å; F28-L34 HydrophobicContact CZ-CG 4.13Å; T32-L34 PolarHBondContact O-N 3Å; T32-L34 VanDerWaalsContact O-N 3.11Å; T32-L34 WeakPolarHBondContact OG1-CB 3.17Å; T32-L34 PolarHBondContact OG1-N 3.4Å; L34-R38 PolarHBondContact O-N 3.41Å; L34-Q45 HydrophobicContact CD1-CB 4.49Å; L34-Q45 HydrophobicContact CD1-CG 4.26Å; L34-P46 HydrophobicContact CD1-CB 4.38Å; L34-P46 HydrophobicContact CD1-CG 4.2Å; L34-P46 HydrophobicContact CG-CG 4.44Å; L34-F49 HydrophobicContact CD1-CB 4.19Å; L34-F49 HydrophobicContact CD2-CD1 3.72Å; L34-F49 HydrophobicContact CD2-CE1 4.13Å; L34-F49 HydrophobicContact CD2-CG 4.47Å; L34-I161 HydrophobicContact CB-CG2 3.82Å; L34-I161 HydrophobicContact CD1-CD1 4.14Å; L34-I161 HydrophobicContact CD2-CD1 4.35Å; L34-I161 HydrophobicContact CD2-CG2 4.44Å
35R95.4Very high95.7Very high81 Ų8168.4 Ų68.431%0.30634%0.341SS..Hα-helixtrans-72-45.8176-180176172.7-167.8-15.7111L29 H30 T32 D33 Q37 R38 E39L29-R35 WeakPolarHBondContact O-CD 3.41Å; L29-R35 PolarHBondContact O-NH1 2.86Å; H30-R35 WeakPolarHBondContact O-CB 3.4Å; H30-R35 WeakPolarHBondContact O-CD 3.45Å; T32-R35 PolarHBondContact O-N 3.38Å; T32-R35 PolarHBondContact OG1-N 2.73Å; D33-R35 PolarHBondContact O-N 2.86Å; R35-Q37 PolarHBondContact O-N 3.33Å; R35-R38 WeakPolarHBondContact O-CB 3.43Å; R35-R38 PolarHBondContact O-N 3.09Å; R35-R38 VanDerWaalsContact O-N 3.16Å; R35-E39 HydrophobicContact CG-CG 4.44Å; R35-E39 IonicContact CZ-OE1 3.4Å; R35-E39 VanDerWaalsContact CZ-OE1 3.31Å; R35-E39 IonicContact NE-OE1 3.26Å; R35-E39 PolarHBondContact NE-OE1 2.87Å; R35-E39 IonicContact NH2-OE1 3.91Å; R35-E39 PolarHBondContact NH2-OE1 3.21Å; R35-E39 WeakPolarHBondContact O-CG 3.43Å; R35-E39 PolarHBondContact O-N 3.1Å
36R95.9Very high95.7Very high88 Ų8864.1 Ų64.133%0.33232%0.319SS..Hα-helixtrans-58.6-46.1179.7-71.3-173.2-92.2120.5-1.9111.7D31 T32 D33 R38 E39 N40 S164D31-R36 WeakPolarHBondContact OD1-CD 3.47Å; D31-R36 WeakPolarHBondContact OD1-CG 2.91Å; D31-R36 IonicContact OD1-NE 3.05Å; T32-R36 PolarHBondContact O-N 2.71Å; D33-R36 PolarHBondContact O-N 2.87Å; D33-R36 IonicContact OD1-CZ 3.29Å; D33-R36 IonicContact OD1-NH1 2.76Å; D33-R36 PolarHBondContact OD1-NH1 3.06Å; D33-R36 IonicContact OD1-NH2 2.57Å; D33-R36 PolarHBondContact OD1-NH2 3.04Å; R36-R38 PolarHBondContact O-N 3.33Å; R36-E39 PolarHBondContact O-N 3.26Å; R36-N40 WeakPolarHBondContact O-CB 3.47Å; R36-N40 PolarHBondContact O-N 3.32Å; R36-N40 PolarHBondContact O-ND2 3.12Å; R36-S164 PolarHBondContact NH2-O 3.14Å
37Q95.4Very high95.7Very high37 Ų3766.3 Ų66.317%0.17333%0.333CS..Hα-helixtrans-62.9-40.9175.6-73.2-179.415.300112.5D33 R35 E39 N40 G41 E42D33-Q37 WeakPolarHBondContact O-CB 3.25Å; D33-Q37 VanDerWaalsContact O-CG 3.29Å; D33-Q37 WeakPolarHBondContact O-CG 3.5Å; D33-Q37 PolarHBondContact O-N 2.94Å; R35-Q37 PolarHBondContact O-N 3.33Å; Q37-E39 PolarHBondContact O-N 3.38Å; Q37-N40 PolarHBondContact O-N 2.89Å; Q37-G41 PolarHBondContact O-N 3.46Å; Q37-G41 VanDerWaalsContact O-N 3.17Å; Q37-E42 CarbonylContact C-O 3.56Å; Q37-E42 HydrophobicContact CB-CB 4.01Å; Q37-E42 HydrophobicContact CG-CB 4.42Å; Q37-E42 WeakPolarHBondContact O-CA 3.39Å; Q37-E42 PolarHBondContact O-N 3.32Å
38R95.6Very high95.7Very high104 Ų10469.5 Ų69.539%0.39235%0.353SS..Hα-helixtrans-60-44.7174.8-168.3-167.783.8-147.21.1111.9F28 L34 R35 R36 N40 G41 L43 P46F28-R38 PolarHBondContact O-NH1 3.2Å; L34-R38 PolarHBondContact O-N 3.41Å; R35-R38 WeakPolarHBondContact O-CB 3.43Å; R35-R38 PolarHBondContact O-N 3.09Å; R35-R38 VanDerWaalsContact O-N 3.16Å; R36-R38 PolarHBondContact O-N 3.33Å; R38-N40 VanDerWaalsContact C-N 3.29Å; R38-N40 PolarHBondContact O-N 2.75Å; R38-G41 PolarHBondContact O-N 3.1Å; R38-L43 HydrophobicContact CG-CD2 4.31Å; R38-P46 HydrophobicContact CB-CG 4.27Å
39E95.2Very high95.8Very high104 Ų10468.1 Ų68.149%0.48635%0.347SS..Hα-helixtrans-66.8-31.8179-71.4177.6175.400112R35 R36 Q37 G41R35-E39 HydrophobicContact CG-CG 4.44Å; R35-E39 IonicContact CZ-OE1 3.4Å; R35-E39 VanDerWaalsContact CZ-OE1 3.31Å; R35-E39 IonicContact NE-OE1 3.26Å; R35-E39 PolarHBondContact NE-OE1 2.87Å; R35-E39 IonicContact NH2-OE1 3.91Å; R35-E39 PolarHBondContact NH2-OE1 3.21Å; R35-E39 WeakPolarHBondContact O-CG 3.43Å; R35-E39 PolarHBondContact O-N 3.1Å; R36-E39 PolarHBondContact O-N 3.26Å; Q37-E39 PolarHBondContact O-N 3.38Å; E39-G41 VanDerWaalsContact C-N 3.27Å; E39-G41 PolarHBondContact O-N 3.02Å
40N95.8Very high95.9Very high121 Ų12165.2 Ų65.265%0.64734%0.335SS*.THydrogen-bonded Turntrans-79.4-3.2174.7-65.4-14.9000114.1R36 Q37 R38 E42R36-N40 WeakPolarHBondContact O-CB 3.47Å; R36-N40 PolarHBondContact O-N 3.32Å; R36-N40 PolarHBondContact O-ND2 3.12Å; Q37-N40 PolarHBondContact O-N 2.89Å; R38-N40 VanDerWaalsContact C-N 3.29Å; R38-N40 PolarHBondContact O-N 2.75Å; N40-E42 VanDerWaalsContact C-N 3.34Å
41G94.8Very high96.1Very high56 Ų5667.8 Ų67.858%0.57735%0.35SS*.THydrogen-bonded Turntrans82.74.5-17700000115Q37 R38 E39 L43Q37-G41 PolarHBondContact O-N 3.46Å; Q37-G41 VanDerWaalsContact O-N 3.17Å; R38-G41 PolarHBondContact O-N 3.1Å; E39-G41 VanDerWaalsContact C-N 3.27Å; E39-G41 PolarHBondContact O-N 3.02Å; G41-L43 PolarHBondContact O-N 2.68Å
42E96.3Very high96.3Very high112 Ų11266.1 Ų66.152%0.52334%0.341SS..  trans-82.688.3176.6-65.7179.7-175.900110.5Q37 N40 P46Q37-E42 CarbonylContact C-O 3.56Å; Q37-E42 HydrophobicContact CB-CB 4.01Å; Q37-E42 HydrophobicContact CG-CB 4.42Å; Q37-E42 WeakPolarHBondContact O-CA 3.39Å; Q37-E42 PolarHBondContact O-N 3.32Å; N40-E42 VanDerWaalsContact C-N 3.34Å; E42-P46 WeakPolarHBondContact O-CD 3.33Å
43L95.4Very high96.4Very high100 Ų10066.5 Ų66.552%0.52434%0.344SS..  trans-84.4-8.1-172.8-61-178.2000115.1R38 G41 P46 V47R38-L43 HydrophobicContact CG-CD2 4.31Å; G41-L43 PolarHBondContact O-N 2.68Å; L43-P46 WeakPolarHBondContact O-CD 3.33Å; L43-V47 HydrophobicContact CB-CG2 4.26Å; L43-V47 VanDerWaalsContact O-CB 3.25Å; L43-V47 WeakPolarHBondContact O-CB 3.36Å; L43-V47 WeakPolarHBondContact O-CG2 3.3Å; L43-V47 PolarHBondContact O-N 2.94Å
44M95.4Very high96.6Very high155 Ų15567.5 Ų67.576%0.76435%0.349SS*.Hα-helixtrans-58.3-56-174.8-73.2-65.7-70.500112.5V47 V48M44-V47 PolarHBondContact O-N 3.43Å; M44-V48 WeakPolarHBondContact O-CB 3.29Å; M44-V48 WeakPolarHBondContact O-CG2 3.13Å; M44-V48 PolarHBondContact O-N 3Å
45Q95.2Very high96.8Very high49 Ų4971.6 Ų71.623%0.22937%0.37CS..Hα-helixtrans-66.3-46.6-178.9-156.1-179-67.200112.6L34 V47 V48 F49 W157L34-Q45 HydrophobicContact CD1-CB 4.49Å; L34-Q45 HydrophobicContact CD1-CG 4.26Å; Q45-V47 VanDerWaalsContact C-N 3.32Å; Q45-V47 PolarHBondContact O-N 3.02Å; Q45-V48 PolarHBondContact O-N 3.4Å; Q45-F49 VanDerWaalsContact O-CB 3.3Å; Q45-F49 WeakPolarHBondContact O-CB 3.41Å; Q45-F49 PolarHBondContact O-N 3.37Å; Q45-W157 HydrophobicContact CG-CH2 4.49Å; Q45-W157 HydrophobicContact CG-CZ2 3.63Å
46P96.9Very high96.9Very high7 Ų767.9 Ų67.95%0.04536%0.356CS..Hα-helixtrans-53.9-44.1173.9-29.537.8000114.1F28 L34 R38 E42 L43 S50F28-P46 HydrophobicContact CE1-CB 3.96Å; F28-P46 HydrophobicContact CZ-CB 4.21Å; L34-P46 HydrophobicContact CD1-CB 4.38Å; L34-P46 HydrophobicContact CD1-CG 4.2Å; L34-P46 HydrophobicContact CG-CG 4.44Å; R38-P46 HydrophobicContact CB-CG 4.27Å; E42-P46 WeakPolarHBondContact O-CD 3.33Å; L43-P46 WeakPolarHBondContact O-CD 3.33Å; P46-S50 WeakPolarHBondContact O-CB 3.3Å; P46-S50 PolarHBondContact O-N 2.76Å; P46-S50 PolarHBondContact O-OG 2.81Å
47V97.7Very high97.1Very high75 Ų7564 Ų6446%0.45534%0.343SS..Hα-helixtrans-69.5-49.2-179.5170.30000110.7L43 M44 Q45 F49 S50 L51L43-V47 HydrophobicContact CB-CG2 4.26Å; L43-V47 VanDerWaalsContact O-CB 3.25Å; L43-V47 WeakPolarHBondContact O-CB 3.36Å; L43-V47 WeakPolarHBondContact O-CG2 3.3Å; L43-V47 PolarHBondContact O-N 2.94Å; M44-V47 PolarHBondContact O-N 3.43Å; Q45-V47 VanDerWaalsContact C-N 3.32Å; Q45-V47 PolarHBondContact O-N 3.02Å; V47-F49 VanDerWaalsContact C-N 3.35Å; V47-F49 PolarHBondContact O-N 3.17Å; V47-S50 PolarHBondContact O-N 3.4Å; V47-L51 HydrophobicContact CG1-CD1 3.88Å; V47-L51 HydrophobicContact CG1-CG 4.29Å; V47-L51 VanDerWaalsContact O-CG 3.31Å; V47-L51 WeakPolarHBondContact O-CG 3.33Å; V47-L51 PolarHBondContact O-N 3.03Å
48V98.3Very high97.2Very high69 Ų6966.8 Ų66.842%0.41836%0.357SS..Hα-helixtrans-62.7-42.1-178.9176.70000111.2M44 Q45 L51 L52 W157M44-V48 WeakPolarHBondContact O-CB 3.29Å; M44-V48 WeakPolarHBondContact O-CG2 3.13Å; M44-V48 PolarHBondContact O-N 3Å; Q45-V48 PolarHBondContact O-N 3.4Å; V48-L51 PolarHBondContact O-N 3.06Å; V48-L52 WeakPolarHBondContact O-CB 3.23Å; V48-L52 PolarHBondContact O-N 3.33Å; V48-W157 HydrophobicContact CB-CH2 4.08Å; V48-W157 HydrophobicContact CG1-CH2 3.64Å; V48-W157 HydrophobicContact CG1-CZ3 3.83Å
49F98.4Very high97.3Very high3 Ų363.1 Ų63.11%0.01335%0.345CS..Hα-helixtrans-62.7-43.5175.4-179.1-105.6000111.7T24 L27 F28 L34 Q45 V47 L51 L52 V53 W157 A158 I161T24-F49 HydrophobicContact CG2-CE1 4.33Å; L27-F49 HydrophobicContact CD1-CE1 4Å; L27-F49 HydrophobicContact CD1-CZ 3.71Å; F28-F49 HydrophobicContact CE2-CD1 4.15Å; L34-F49 HydrophobicContact CD1-CB 4.19Å; L34-F49 HydrophobicContact CD2-CD1 3.72Å; L34-F49 HydrophobicContact CD2-CE1 4.13Å; L34-F49 HydrophobicContact CD2-CG 4.47Å; Q45-F49 VanDerWaalsContact O-CB 3.3Å; Q45-F49 WeakPolarHBondContact O-CB 3.41Å; Q45-F49 PolarHBondContact O-N 3.37Å; V47-F49 VanDerWaalsContact C-N 3.35Å; V47-F49 PolarHBondContact O-N 3.17Å; F49-L51 PolarHBondContact O-N 3.07Å; F49-L52 PolarHBondContact O-N 3.06Å; F49-V53 HydrophobicContact CD1-CG2 4.34Å; F49-V53 HydrophobicContact CE1-CG2 3.93Å; F49-V53 HydrophobicContact CE2-CG2 4.23Å; F49-V53 HydrophobicContact CZ-CG2 3.86Å; F49-V53 WeakPolarHBondContact O-CG2 3.28Å; F49-V53 PolarHBondContact O-N 2.92Å; F49-W157 HydrophobicContact CB-CE3 4.5Å; F49-W157 HydrophobicContact CB-CH2 4.38Å; F49-W157 HydrophobicContact CB-CZ3 4.32Å; F49-W157 HydrophobicContact CD2-CB 4.41Å; F49-W157 AromaticContact CD2-CD2 3.84Å; F49-W157 HydrophobicContact CD2-CD2 3.84Å; F49-W157 AromaticContact CD2-CE3 3.86Å; F49-W157 HydrophobicContact CD2-CE3 3.86Å; F49-W157 HydrophobicContact CD2-CG 4.09Å; F49-W157 HydrophobicContact CD2-CZ3 4.48Å; F49-W157 HydrophobicContact CE2-CB 4.34Å; F49-W157 HydrophobicContact CE2-CG 4.42Å; F49-A158 HydrophobicContact CE2-CB 4.3Å; F49-A158 HydrophobicContact CZ-CB 4.17Å; F49-I161 HydrophobicContact CD1-CD1 4.28Å; F49-I161 HydrophobicContact CD2-CD1 3.67Å; F49-I161 HydrophobicContact CE1-CD1 4.34Å; F49-I161 HydrophobicContact CE2-CD1 3.76Å; F49-I161 HydrophobicContact CG-CD1 3.94Å; F49-I161 HydrophobicContact CZ-CD1 4.1Å
50S98Very high97.5Very high47 Ų4758.2 Ų58.233%0.32932%0.322SS..Hα-helixtrans-63.3-40.5177.2-58.60000112.4F28 P46 V47 V53 L54F28-S50 WeakPolarHBondContact CZ-OG 2.98Å; P46-S50 WeakPolarHBondContact O-CB 3.3Å; P46-S50 PolarHBondContact O-N 2.76Å; P46-S50 PolarHBondContact O-OG 2.81Å; V47-S50 PolarHBondContact O-N 3.4Å; S50-V53 PolarHBondContact O-N 3.26Å; S50-L54 WeakPolarHBondContact O-CB 3.47Å; S50-L54 PolarHBondContact O-N 3.39Å
51L98.4Very high97.6Very high104 Ų10455.6 Ų55.655%0.54531%0.305SS..Hα-helixtrans-65.1-39.1175.4-70.5174.7000111.7V47 V48 F49 L54 L55V47-L51 HydrophobicContact CG1-CD1 3.88Å; V47-L51 HydrophobicContact CG1-CG 4.29Å; V47-L51 VanDerWaalsContact O-CG 3.31Å; V47-L51 WeakPolarHBondContact O-CG 3.33Å; V47-L51 PolarHBondContact O-N 3.03Å; V48-L51 PolarHBondContact O-N 3.06Å; F49-L51 PolarHBondContact O-N 3.07Å; L51-L54 PolarHBondContact O-N 2.96Å; L51-L55 WeakPolarHBondContact O-CB 3.42Å; L51-L55 PolarHBondContact O-N 3.09Å
52L98.7Very high97.7Very high19 Ų1956 Ų5610%0.09930%0.296CS..Hα-helixtrans-64.4-44.7175.2179.466.3000111.8V48 F49 L54 L55 S56 V150 L153 A154 W157V48-L52 WeakPolarHBondContact O-CB 3.23Å; V48-L52 PolarHBondContact O-N 3.33Å; F49-L52 PolarHBondContact O-N 3.06Å; L52-L54 VanDerWaalsContact C-N 3.35Å; L52-L55 PolarHBondContact O-N 2.82Å; L52-S56 PolarHBondContact O-N 3.05Å; L52-V150 HydrophobicContact CD1-CG1 3.88Å; L52-L153 HydrophobicContact CD1-CD2 4.05Å; L52-L153 HydrophobicContact CD1-CG 4.48Å; L52-L153 HydrophobicContact CD2-CD2 4.26Å; L52-L153 HydrophobicContact CD2-CG 3.99Å; L52-A154 HydrophobicContact CD2-CB 4.05Å; L52-A154 HydrophobicContact CG-CB 4.07Å; L52-W157 HydrophobicContact CD2-CE3 3.63Å; L52-W157 HydrophobicContact CD2-CZ3 4.09Å
53V98.5Very high97.7Very high8 Ų850.7 Ų50.75%0.04827%0.271CS..Hα-helixtrans-61.4-45.2175.4171.60000110.5T20 F49 S50 L55 S56 V57T20-V53 HydrophobicContact CG2-CG1 3.6Å; F49-V53 HydrophobicContact CD1-CG2 4.34Å; F49-V53 HydrophobicContact CE1-CG2 3.93Å; F49-V53 HydrophobicContact CE2-CG2 4.23Å; F49-V53 HydrophobicContact CZ-CG2 3.86Å; F49-V53 WeakPolarHBondContact O-CG2 3.28Å; F49-V53 PolarHBondContact O-N 2.92Å; S50-V53 PolarHBondContact O-N 3.26Å; V53-L55 PolarHBondContact O-N 3.21Å; V53-S56 WeakPolarHBondContact O-CB 3.19Å; V53-S56 PolarHBondContact O-N 2.88Å; V53-V57 WeakPolarHBondContact O-CG2 3.36Å; V53-V57 PolarHBondContact O-N 2.95Å
54L98.4Very high97.8Very high79 Ų7946 Ų4641%0.41425%0.247SC..Hα-helixtrans-60.8-45.7176.7-179.362.8000111.6S50 L51 L52 S56 V57 M58S50-L54 WeakPolarHBondContact O-CB 3.47Å; S50-L54 PolarHBondContact O-N 3.39Å; L51-L54 PolarHBondContact O-N 2.96Å; L52-L54 VanDerWaalsContact C-N 3.35Å; L54-S56 VanDerWaalsContact C-N 3.3Å; L54-S56 PolarHBondContact O-N 3.03Å; L54-V57 PolarHBondContact O-N 2.92Å; L54-M58 HydrophobicContact CD1-CE 4.32Å; L54-M58 HydrophobicContact CD1-CG 4.45Å; L54-M58 HydrophobicContact CG-CG 4.49Å; L54-M58 VanDerWaalsContact O-CG 3.31Å; L54-M58 WeakPolarHBondContact O-CG 3.12Å; L54-M58 PolarHBondContact O-N 2.71Å
55L98.7Very high97.8Very high86 Ų8644 Ų4445%0.4524%0.239SC..Hα-helixtrans-58.2-43.9175.7177.862.9000111.1L51 L52 V53 V57 M58 L59 V150L51-L55 WeakPolarHBondContact O-CB 3.42Å; L51-L55 PolarHBondContact O-N 3.09Å; L52-L55 PolarHBondContact O-N 2.82Å; V53-L55 PolarHBondContact O-N 3.21Å; L55-V57 VanDerWaalsContact C-N 3.35Å; L55-V57 PolarHBondContact O-N 3.23Å; L55-M58 PolarHBondContact O-N 2.91Å; L55-L59 HydrophobicContact CD1-CD1 4.18Å; L55-L59 HydrophobicContact CD1-CG 4.26Å; L55-L59 HydrophobicContact CG-CD1 4.04Å; L55-L59 WeakPolarHBondContact O-CB 3.43Å; L55-L59 WeakPolarHBondContact O-CG 3.43Å; L55-L59 PolarHBondContact O-N 3.47Å; L55-V150 HydrophobicContact CD2-CG1 4.14Å; L55-V150 HydrophobicContact CD2-CG2 4.36Å; L55-V150 HydrophobicContact CG-CG1 4.14Å
56S98.6Very high97.8Very high3 Ų344.8 Ų44.82%0.02124%0.243CC..Hα-helixtrans-60.4-43.5177-155.20000112L52 V53 L54 L59 Y60 Q151L52-S56 PolarHBondContact O-N 3.05Å; V53-S56 WeakPolarHBondContact O-CB 3.19Å; V53-S56 PolarHBondContact O-N 2.88Å; L54-S56 VanDerWaalsContact C-N 3.3Å; L54-S56 PolarHBondContact O-N 3.03Å; S56-L59 PolarHBondContact O-N 3.41Å; S56-Y60 WeakPolarHBondContact O-CB 3.28Å; S56-Y60 PolarHBondContact O-N 3.2Å; S56-Q151 WeakPolarHBondContact OG-CA 3.34Å; S56-Q151 PolarHBondContact OG-OE1 2.78Å
57V98.4Very high97.8Very high7 Ų747 Ų474%0.04226%0.255CS..Hα-helixtrans-65.5-41.2176174.30000111.5V17 T20 V53 L54 L55 Y60 F61V17-V57 HydrophobicContact CG2-CG1 4.49Å; T20-V57 HydrophobicContact CG2-CG2 3.98Å; V53-V57 WeakPolarHBondContact O-CG2 3.36Å; V53-V57 PolarHBondContact O-N 2.95Å; L54-V57 PolarHBondContact O-N 2.92Å; L55-V57 VanDerWaalsContact C-N 3.35Å; L55-V57 PolarHBondContact O-N 3.23Å; V57-Y60 WeakPolarHBondContact O-CB 3.44Å; V57-Y60 PolarHBondContact O-N 3.48Å; V57-F61 HydrophobicContact CG1-CD2 3.87Å; V57-F61 HydrophobicContact CG1-CE2 3.78Å; V57-F61 VanDerWaalsContact O-CD2 3.27Å; V57-F61 WeakPolarHBondContact O-CD2 3.41Å; V57-F61 PolarHBondContact O-N 3.12Å
58M98.3Very high97.7Very high95 Ų9543.5 Ų43.547%0.46823%0.233SC..Hα-helixtrans-63.5-42.5176.2-68.7-6197.300112L54 L55 F61 T62L54-M58 HydrophobicContact CD1-CE 4.32Å; L54-M58 HydrophobicContact CD1-CG 4.45Å; L54-M58 HydrophobicContact CG-CG 4.49Å; L54-M58 VanDerWaalsContact O-CG 3.31Å; L54-M58 WeakPolarHBondContact O-CG 3.12Å; L54-M58 PolarHBondContact O-N 2.71Å; L55-M58 PolarHBondContact O-N 2.91Å; M58-F61 PolarHBondContact O-N 2.78Å; M58-T62 WeakPolarHBondContact O-CB 3.48Å; M58-T62 PolarHBondContact O-N 3.25Å; M58-T62 PolarHBondContact O-OG1 3.13Å
59L98.4Very high97.5Very high27 Ų2740.2 Ų40.214%0.14121%0.213CC..Hα-helixtrans-65.3-40.4175.1-73.8170.2000111.8L55 S56 F61 T62 V63 I146 Y147 V150L55-L59 HydrophobicContact CD1-CD1 4.18Å; L55-L59 HydrophobicContact CD1-CG 4.26Å; L55-L59 HydrophobicContact CG-CD1 4.04Å; L55-L59 WeakPolarHBondContact O-CB 3.43Å; L55-L59 WeakPolarHBondContact O-CG 3.43Å; L55-L59 PolarHBondContact O-N 3.47Å; S56-L59 PolarHBondContact O-N 3.41Å; L59-F61 PolarHBondContact O-N 3Å; L59-T62 WeakPolarHBondContact O-CB 3.31Å; L59-T62 PolarHBondContact O-N 2.85Å; L59-V63 WeakPolarHBondContact O-CG2 3.39Å; L59-V63 PolarHBondContact O-N 2.97Å; L59-I146 HydrophobicContact CD1-CG2 4.03Å; L59-I146 HydrophobicContact CD2-CG2 4.22Å; L59-Y147 HydrophobicContact CB-CD2 4.08Å; L59-V150 HydrophobicContact CD1-CB 3.81Å; L59-V150 HydrophobicContact CD1-CG1 4.01Å; L59-V150 HydrophobicContact CD1-CG2 3.68Å
60Y98.4Very high97.4Very high1 Ų142.6 Ų42.60%0.00422%0.224CC..Hα-helixtrans-55.1-50.5173.2171.6-99.8000111.6R13 H16 S56 V57 T62 V63 S64 W131 I132 Y147R13-Y60 WeakPolarHBondContact CA-OH 3.34Å; R13-Y60 HydrophobicContact CB-CE1 4.14Å; R13-Y60 HydrophobicContact CG-CE1 3.87Å; R13-Y60 WeakPolarHBondContact CG-OH 3.33Å; H16-Y60 HydrophobicContact CB-CE1 4.13Å; H16-Y60 HydrophobicContact CB-CE2 4.26Å; H16-Y60 AromaticContact CD2-CD2 3.71Å; H16-Y60 AromaticContact CD2-CE2 3.61Å; H16-Y60 AromaticContact CE1-CD2 3.88Å; H16-Y60 AromaticContact CE1-CG 3.72Å; H16-Y60 AromaticContact CG-CE2 3.81Å; H16-Y60 AromaticContact CG-CZ 3.81Å; H16-Y60 AromaticContact ND1-CD1 3.86Å; H16-Y60 AromaticContact ND1-CG 3.9Å; H16-Y60 AromaticContact NE2-CD2 3.61Å; H16-Y60 AromaticContact NE2-CG 3.94Å; S56-Y60 WeakPolarHBondContact O-CB 3.28Å; S56-Y60 PolarHBondContact O-N 3.2Å; V57-Y60 WeakPolarHBondContact O-CB 3.44Å; V57-Y60 PolarHBondContact O-N 3.48Å; Y60-T62 VanDerWaalsContact C-N 3.33Å; Y60-T62 PolarHBondContact O-N 2.79Å; Y60-V63 VanDerWaalsContact O-CG2 3.24Å; Y60-V63 WeakPolarHBondContact O-CG2 3.46Å; Y60-V63 PolarHBondContact O-N 3.18Å; Y60-S64 WeakPolarHBondContact O-CB 3.4Å; Y60-S64 PolarHBondContact O-N 2.61Å; Y60-W131 WeakPolarHBondContact CE2-O 3.25Å; Y60-W131 PolarHBondContact OH-O 3.18Å; Y60-I132 HydrophobicContact CD2-CG2 4.15Å; Y60-I132 HydrophobicContact CE2-CG2 3.91Å; Y60-Y147 HydrophobicContact CD2-CE2 4.26Å; Y60-Y147 AromaticContact CD2-CZ 3.91Å
61F97.8Very high97Very high66 Ų6640.8 Ų40.829%0.28921%0.211SC..Hα-helixtrans-65-38.4177-82.5-71.3000112.2R13 V17 V57 M58 L59 S64 L65R13-F61 HydrophobicContact CB-CE1 4.33Å; R13-F61 HydrophobicContact CG-CE1 4.46Å; V17-F61 HydrophobicContact CG2-CE2 3.74Å; V17-F61 HydrophobicContact CG2-CZ 3.78Å; V57-F61 HydrophobicContact CG1-CD2 3.87Å; V57-F61 HydrophobicContact CG1-CE2 3.78Å; V57-F61 VanDerWaalsContact O-CD2 3.27Å; V57-F61 WeakPolarHBondContact O-CD2 3.41Å; V57-F61 PolarHBondContact O-N 3.12Å; M58-F61 PolarHBondContact O-N 2.78Å; L59-F61 PolarHBondContact O-N 3Å; F61-S64 PolarHBondContact O-N 3.36Å; F61-L65 HydrophobicContact CB-CD1 4.45Å; F61-L65 HydrophobicContact CD1-CD1 4.08Å; F61-L65 VanDerWaalsContact O-CB 3.28Å; F61-L65 WeakPolarHBondContact O-CB 3.38Å; F61-L65 VanDerWaalsContact O-CG 3.3Å; F61-L65 WeakPolarHBondContact O-CG 3.43Å; F61-L65 PolarHBondContact O-N 3.24Å
62T97.3Very high96.4Very high64 Ų6441.3 Ų41.339%0.39321%0.214SC..Hα-helixtrans-55.5-55.7174.9-58.80000110.1M58 L59 Y60 S64 L65 M66M58-T62 WeakPolarHBondContact O-CB 3.48Å; M58-T62 PolarHBondContact O-N 3.25Å; M58-T62 PolarHBondContact O-OG1 3.13Å; L59-T62 WeakPolarHBondContact O-CB 3.31Å; L59-T62 PolarHBondContact O-N 2.85Å; Y60-T62 VanDerWaalsContact C-N 3.33Å; Y60-T62 PolarHBondContact O-N 2.79Å; T62-S64 VanDerWaalsContact C-N 3.33Å; T62-S64 PolarHBondContact O-N 2.93Å; T62-L65 PolarHBondContact O-N 3.49Å; T62-M66 WeakPolarHBondContact O-CB 3.37Å; T62-M66 PolarHBondContact O-N 3.34Å
63V97.3Very high94.9Very high0 Ų043.4 Ų43.40%023%0.229CC..Hα-helixtrans-69-32.3-177.3-59.40000112.9L59 Y60 I132 N134 C143 F144 Y147L59-V63 WeakPolarHBondContact O-CG2 3.39Å; L59-V63 PolarHBondContact O-N 2.97Å; Y60-V63 VanDerWaalsContact O-CG2 3.24Å; Y60-V63 WeakPolarHBondContact O-CG2 3.46Å; Y60-V63 PolarHBondContact O-N 3.18Å; V63-I132 HydrophobicContact CB-CD1 4.35Å; V63-I132 HydrophobicContact CG2-CB 4.45Å; V63-I132 HydrophobicContact CG2-CD1 4.24Å; V63-I132 HydrophobicContact CG2-CG2 3.88Å; V63-N134 PolarHBondContact O-ND2 3.24Å; V63-C143 HydrophobicContact CG1-CB 3.66Å; V63-C143 WeakPolarHBondContact CG1-O 3.28Å; V63-F144 HydrophobicContact CG1-CB 4.37Å; V63-Y147 HydrophobicContact CG2-CD1 4.11Å; V63-Y147 HydrophobicContact CG2-CG 4.27Å
64S96.7Very high93.1Very high2 Ų248.3 Ų48.31%0.01426%0.255CS..Hα-helixtrans-73.8-25-179.7-176.90000113.8R13 Y60 F61 T62 I132R13-S64 PolarHBondContact NE-OG 3.29Å; R13-S64 PolarHBondContact NH2-O 2.93Å; R13-S64 VanDerWaalsContact NH2-O 3.09Å; R13-S64 PolarHBondContact NH2-OG 3.07Å; R13-S64 VanDerWaalsContact NH2-OG 3.12Å; Y60-S64 WeakPolarHBondContact O-CB 3.4Å; Y60-S64 PolarHBondContact O-N 2.61Å; F61-S64 PolarHBondContact O-N 3.36Å; T62-S64 VanDerWaalsContact C-N 3.33Å; T62-S64 PolarHBondContact O-N 2.93Å; S64-I132 WeakPolarHBondContact CB-O 3.41Å; S64-I132 PolarHBondContact OG-O 3.49Å
65L95.6Very high91.1Very high113 Ų11347.7 Ų47.759%0.59226%0.258SS*.Hα-helixtrans-112.4-17.6-176.4-60.1176.2000113.6F61 T62F61-L65 HydrophobicContact CB-CD1 4.45Å; F61-L65 HydrophobicContact CD1-CD1 4.08Å; F61-L65 VanDerWaalsContact O-CB 3.28Å; F61-L65 WeakPolarHBondContact O-CB 3.38Å; F61-L65 VanDerWaalsContact O-CG 3.3Å; F61-L65 WeakPolarHBondContact O-CG 3.43Å; F61-L65 PolarHBondContact O-N 3.24Å; T62-L65 PolarHBondContact O-N 3.49Å
66M95.4Very high89.2Confident65 Ų6544.5 Ų44.532%0.3224%0.242SC..SBendtrans-67.8139.9-179.7-177.3176.6-179.700111.7T62 P68 N134 R139 N140 C143T62-M66 WeakPolarHBondContact O-CB 3.37Å; T62-M66 PolarHBondContact O-N 3.34Å; M66-P68 WeakPolarHBondContact O-CD 3.47Å; M66-N134 PolarHBondContact O-ND2 3.3Å; M66-R139 HydrophobicContact CE-CB 4.27Å; M66-R139 WeakPolarHBondContact CE-O 3.43Å; M66-N140 HydrophobicContact CB-CB 4.25Å; M66-N140 HydrophobicContact CE-CB 4.3Å; M66-N140 HydrophobicContact CG-CB 3.95Å; M66-N140 HydrophobicContact SD-CB 3.61Å; M66-C143 HydrophobicContact SD-CB 4.47Å
67D95.8Very high86.9Confident55 Ų5551.4 Ų51.429%0.29427%0.272SS..  trans-60.1118.6169.8170.226000109.6G69 F70 R139D67-G69 PolarHBondContact O-N 3.28Å; D67-G69 PolarHBondContact OD1-N 2.7Å; D67-F70 WeakPolarHBondContact OD1-CD2 3.17Å; D67-F70 WeakPolarHBondContact OD1-CG 3.38Å; D67-F70 PolarHBondContact OD1-N 2.91Å; D67-R139 VanDerWaalsContact O-CB 3.3Å; D67-R139 WeakPolarHBondContact O-CB 3.41Å; D67-R139 IonicContact OD2-CZ 3.82Å; D67-R139 IonicContact OD2-NH1 2.73Å; D67-R139 PolarHBondContact OD2-NH1 2.87Å
68P96.4Very high84.5Confident0 Ų060.3 Ų60.30%031%0.306CS..  trans-70.8-9.1178.831.6-37.5000113.2M66 F70 V122 C135 G137 E138 R139M66-P68 WeakPolarHBondContact O-CD 3.47Å; P68-F70 HydrophobicContact CG-CD1 4.06Å; P68-F70 HydrophobicContact CG-CE1 3.63Å; P68-F70 HydrophobicContact CG-CE2 4.15Å; P68-F70 HydrophobicContact CG-CG 4.49Å; P68-F70 HydrophobicContact CG-CZ 3.68Å; P68-V122 HydrophobicContact CB-CG1 3.89Å; P68-V122 HydrophobicContact CG-CG1 4.07Å; P68-V122 HydrophobicContact CG-CG2 4.36Å; P68-C135 HydrophobicContact CB-CB 3.92Å; P68-C135 WeakPolarHBondContact CB-O 3.35Å; P68-C135 HydrophobicContact CG-CB 3.84Å; P68-G137 CarbonylContact O-C 3.57Å; P68-G137 WeakPolarHBondContact O-CA 3.22Å; P68-E138 PolarHBondContact O-N 2.88Å; P68-E138 VanDerWaalsContact O-N 3.13Å; P68-R139 PolarHBondContact O-N 3.12Å
69G95.1Very high82.3Confident0 Ų058.9 Ų58.90%031%0.309CS..  trans110.251.6-172.800000111.3D67 V71 R123D67-G69 PolarHBondContact O-N 3.28Å; D67-G69 PolarHBondContact OD1-N 2.7Å; G69-V71 PolarHBondContact O-N 3.28Å; G69-R123 WeakPolarHBondContact O-CG 3.32Å; G69-R123 PolarHBondContact O-N 2.84Å
70F94.4Very high80Confident54 Ų5461.8 Ų61.824%0.23732%0.322CS..BIsolated β-bridgetrans-59.2135173.6-64.1-50.6000111.2D67 P68 L72 C118 H120 C121 V122D67-F70 WeakPolarHBondContact OD1-CD2 3.17Å; D67-F70 WeakPolarHBondContact OD1-CG 3.38Å; D67-F70 PolarHBondContact OD1-N 2.91Å; P68-F70 HydrophobicContact CG-CD1 4.06Å; P68-F70 HydrophobicContact CG-CE1 3.63Å; P68-F70 HydrophobicContact CG-CE2 4.15Å; P68-F70 HydrophobicContact CG-CG 4.49Å; P68-F70 HydrophobicContact CG-CZ 3.68Å; F70-L72 PolarHBondContact O-N 3.3Å; F70-C118 HydrophobicContact CE1-CB 3.95Å; F70-C118 HydrophobicContact CZ-CB 4.28Å; F70-H120 HydrophobicContact CB-CB 4.4Å; F70-H120 HydrophobicContact CD1-CB 3.34Å; F70-H120 AromaticContact CD1-CG 3.99Å; F70-H120 HydrophobicContact CE1-CB 3.8Å; F70-H120 HydrophobicContact CG-CB 4.03Å; F70-C121 CarbonylContact C-O 3.54Å; F70-C121 WeakPolarHBondContact CA-O 3.47Å; F70-V122 HydrophobicContact CD1-CG2 3.85Å; F70-V122 HydrophobicContact CE1-CG2 3.87Å
71V91.4Very high77.4Confident9 Ų963.9 Ų63.96%0.05534%0.344CS..  trans-82113.2176.1-174.70000108.4G69 V76 L106 P109 A112 C121 R123G69-V71 PolarHBondContact O-N 3.28Å; V71-V76 HydrophobicContact CG1-CG2 3.83Å; V71-L106 HydrophobicContact CB-CD1 4.43Å; V71-L106 HydrophobicContact CB-CD2 4.26Å; V71-L106 HydrophobicContact CG1-CD1 3.87Å; V71-L106 HydrophobicContact CG1-CD2 3.94Å; V71-P109 HydrophobicContact CG1-CG 4.21Å; V71-P109 HydrophobicContact CG2-CG 4.2Å; V71-A112 HydrophobicContact CG2-CB 4.37Å; V71-C121 HydrophobicContact CB-CB 3.95Å; V71-C121 HydrophobicContact CG2-CB 3.9Å; V71-C121 PolarHBondContact N-O 3.05Å; V71-R123 HydrophobicContact CG2-CG 3.61Å
72L83.9Confident74.9Confident115 Ų11564.4 Ų64.460%0.60236%0.355SS*.  trans-86.3139.7176-59.1175.3000110F70 D74 S75F70-L72 PolarHBondContact O-N 3.3Å; L72-D74 PolarHBondContact O-N 2.92Å; L72-S75 PolarHBondContact O-N 3.24Å; L72-S75 PolarHBondContact O-OG 2.82Å
73S68.9Low72.4Confident62 Ų6262.3 Ų62.343%0.43435%0.346SS..Hα-helixtrans-55.1-37.1-177.954.20000113.3V76 K77S73-V76 PolarHBondContact O-N 3.4Å; S73-K77 PolarHBondContact O-N 3.32Å
74D58.9Low70.1Confident111 Ų11168.2 Ų68.259%0.59437%0.374SS*.Hα-helixtrans-78.1-29-171.2-55.4-20000111.8L72 V76 K77 Y78L72-D74 PolarHBondContact O-N 2.92Å; D74-V76 PolarHBondContact O-N 2.86Å; D74-K77 PolarHBondContact O-N 3.42Å; D74-Y78 PolarHBondContact O-N 2.95Å
75S58.1Low67.7Low67 Ų6777 Ų7747%0.46942%0.415SS..Hα-helixtrans-64.4-28.8174.266.60000112.9L72 A79L72-S75 PolarHBondContact O-N 3.24Å; L72-S75 PolarHBondContact O-OG 2.82Å; S75-A79 WeakPolarHBondContact O-CB 3.35Å; S75-A79 PolarHBondContact O-N 3.32Å
76V57.6Low65.5Low18 Ų1877.8 Ų77.811%0.10942%0.419CS..Hα-helixtrans-78.4-40.8176.7179.10000110.8V71 S73 D74 Y78 A79 Q80 Q107V71-V76 HydrophobicContact CG1-CG2 3.83Å; S73-V76 PolarHBondContact O-N 3.4Å; D74-V76 PolarHBondContact O-N 2.86Å; V76-Y78 PolarHBondContact O-N 3.4Å; V76-A79 PolarHBondContact O-N 2.68Å; V76-Q80 WeakPolarHBondContact O-CG 3.35Å; V76-Q80 PolarHBondContact O-N 2.84Å; V76-Q107 HydrophobicContact CG1-CB 3.73Å
77K50.2Low63.3Low149 Ų14980.2 Ų80.265%0.64843%0.43SS*.Hα-helixtrans-62.8-40.5176.2-70.6-177.5177.8179.30112.4S73 D74 Q80 G81S73-K77 PolarHBondContact O-N 3.32Å; D74-K77 PolarHBondContact O-N 3.42Å; K77-Q80 PolarHBondContact O-N 2.69Å; K77-G81 PolarHBondContact O-N 3.08Å
78Y48.9Very low61Low194 Ų19486.3 Ų86.376%0.76146%0.456SS*.Hα-helixtrans-68.6-42.6178.5-165.9-89.3000112.1D74 V76 Q80 G81 S82D74-Y78 PolarHBondContact O-N 2.95Å; V76-Y78 PolarHBondContact O-N 3.4Å; Y78-Q80 VanDerWaalsContact C-N 3.3Å; Y78-Q80 PolarHBondContact O-N 3.19Å; Y78-G81 PolarHBondContact O-N 3.47Å; Y78-S82 PolarHBondContact O-N 3.06Å; Y78-S82 VanDerWaalsContact O-N 3.09Å; Y78-S82 PolarHBondContact O-OG 2.93Å; Y78-S82 VanDerWaalsContact O-OG 3.13Å
79A52.6Low58.7Low64 Ų6495 Ų9553%0.52950%0.499SS..Hα-helixtrans-64.8-33.2176.700000112.9S75 V76 S82 G83S75-A79 WeakPolarHBondContact O-CB 3.35Å; S75-A79 PolarHBondContact O-N 3.32Å; V76-A79 PolarHBondContact O-N 2.68Å; A79-S82 PolarHBondContact O-OG 2.9Å; A79-G83 PolarHBondContact O-N 3.38Å
80Q49.8Very low56.4Low89 Ų89100.9 Ų100.942%0.41653%0.529SS..Hα-helixtrans-75.5-44.3173.4-73.6-176.7-61.800112.2V76 K77 Y78 S82 G83 E84V76-Q80 WeakPolarHBondContact O-CG 3.35Å; V76-Q80 PolarHBondContact O-N 2.84Å; K77-Q80 PolarHBondContact O-N 2.69Å; Y78-Q80 VanDerWaalsContact C-N 3.3Å; Y78-Q80 PolarHBondContact O-N 3.19Å; Q80-S82 VanDerWaalsContact C-N 3.28Å; Q80-S82 PolarHBondContact O-N 3.36Å; Q80-G83 PolarHBondContact O-N 3.06Å; Q80-E84 WeakPolarHBondContact O-CG 3.31Å; Q80-E84 PolarHBondContact O-N 3.46Å
81G44.3Very low53.9Low45 Ų45104 Ų10446%0.46456%0.555SS.*Hα-helixtrans-63.7-28.7179.500000114.2K77 Y78K77-G81 PolarHBondContact O-N 3.08Å; Y78-G81 PolarHBondContact O-N 3.47Å
82S45.1Very low51.7Low76 Ų76112.3 Ų112.353%0.53159%0.593SS.*Hα-helixtrans-83.6-17171.761.30000114.2Y78 A79 Q80Y78-S82 PolarHBondContact O-N 3.06Å; Y78-S82 VanDerWaalsContact O-N 3.09Å; Y78-S82 PolarHBondContact O-OG 2.93Å; Y78-S82 VanDerWaalsContact O-OG 3.13Å; A79-S82 PolarHBondContact O-OG 2.9Å; Q80-S82 VanDerWaalsContact C-N 3.28Å; Q80-S82 PolarHBondContact O-N 3.36Å
83G44.8Very low49.9Very low20 Ų20111.1 Ų111.121%0.20659%0.587CS.*Hα-helixtrans-92.4-38.5-177.600000112.9A79 Q80 E85 L86 E87A79-G83 PolarHBondContact O-N 3.38Å; Q80-G83 PolarHBondContact O-N 3.06Å; G83-E85 PolarHBondContact O-N 2.85Å; G83-L86 PolarHBondContact O-N 3.2Å; G83-E87 WeakPolarHBondContact O-CB 3.37Å; G83-E87 PolarHBondContact O-N 3.25Å
84E48.7Very low49Very low125 Ų125113.4 Ų113.458%0.58460%0.601SS**Hα-helixtrans-63.8-34.4-175.5-75.4176.1177.500113.1Q80 L86Q80-E84 WeakPolarHBondContact O-CG 3.31Å; Q80-E84 PolarHBondContact O-N 3.46Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 2.73Å
85E45.8Very low48.8Very low185 Ų185112 Ų11286%0.86459%0.593SS**Hα-helixtrans-75.7-16.1175.3-73.9-175.7161.200113.8G83G83-E85 PolarHBondContact O-N 2.85Å
86L49.2Very low48.9Very low131 Ų131110.9 Ų110.969%0.68658%0.584SS**Hα-helixtrans-104.2-22.1179.5-167.365.8000112.9G83 E84 E88G83-L86 PolarHBondContact O-N 3.2Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 2.73Å; L86-E88 PolarHBondContact O-N 3.12Å
87E49.2Very low49.3Very low116 Ų116121.6 Ų121.654%0.54262%0.622SS.*Hα-helixtrans-76.3-13.6-177.9-105.5174.3141.900114.5G83 M89 I95G83-E87 WeakPolarHBondContact O-CB 3.37Å; G83-E87 PolarHBondContact O-N 3.25Å; E87-M89 PolarHBondContact O-N 3.08Å; E87-I95 VanDerWaalsContact OE1-CD1 3.31Å; E87-I95 WeakPolarHBondContact OE1-CD1 3.39Å
88E48.6Very low50.4Low182 Ų182117.3 Ų117.385%0.8561%0.606SS**THydrogen-bonded Turntrans-71.4-7.2179.1-81.3-166.315900114.7L86L86-E88 PolarHBondContact O-N 3.12Å
89M47Very low52.1Low182 Ų182112.9 Ų112.990%0.89759%0.588SS**THydrogen-bonded Turntrans-118.66.4-173.8-66.4-161.5-168.300117E87E87-M89 PolarHBondContact O-N 3.08Å
90I47.9Very low53.8Low125 Ų125117.8 Ų117.864%0.64159%0.593SS**SBendtrans-120.1132.9-178.1-55.2-179.5000111.2Q92I90-Q92 PolarHBondContact O-N 2.94Å
91P41.8Very low55.8Low120 Ų120113.8 Ų113.878%0.77957%0.574SS**  trans-56.4124.6176.3-19.830.3000110.8N93P91-N93 PolarHBondContact O-N 3.37Å
92Q43.7Very low58Low182 Ų182114.7 Ų114.785%0.8558%0.584SS**  trans-66.3105.6-174.8-64.6-167.1-5.800111.4I90I90-Q92 PolarHBondContact O-N 2.94Å
93N45.9Very low60.2Low90 Ų90119.4 Ų119.448%0.48159%0.592SS.*  trans-60.7136.3144.1-89.9-35.8000107.2P91 I95 H264P91-N93 PolarHBondContact O-N 3.37Å; N93-I95 VanDerWaalsContact C-N 3.34Å; N93-I95 PolarHBondContact O-N 2.92Å; N93-H264 PolarHBondContact ND2-CE1 3.47Å; N93-H264 VanDerWaalsContact ND2-CE1 3.32Å; N93-H264 PolarHBondContact ND2-NE2 3.23Å
94P50.5Low62.3Low111 Ų111120.2 Ų120.272%0.72159%0.594SS**  trans-67.296.8-178.226.9-31.8000108.6P96P94-P96 VanDerWaalsContact O-CD 3.31Å; P94-P96 WeakPolarHBondContact O-CD 3.27Å; P94-P96 VanDerWaalsContact O-N 3.16Å
95I54Low64.3Low82 Ų82119.8 Ų119.842%0.42160%0.595SS.*  trans-59.7119.7171.3-64.8173.3000105.9E87 N93 R97 Y260E87-I95 VanDerWaalsContact OE1-CD1 3.31Å; E87-I95 WeakPolarHBondContact OE1-CD1 3.39Å; N93-I95 VanDerWaalsContact C-N 3.34Å; N93-I95 PolarHBondContact O-N 2.92Å; I95-R97 PolarHBondContact O-N 2.88Å; I95-Y260 WeakPolarHBondContact CA-OH 3.39Å; I95-Y260 WeakPolarHBondContact CB-OH 3.13Å; I95-Y260 WeakPolarHBondContact CG2-OH 3.33Å
96P62.1Low66.3Low43 Ų43111.8 Ų111.828%0.27956%0.558SS.*  trans-56.5116.1172.7-21.932.9000106.7P94 L98 Y259 Y260P94-P96 VanDerWaalsContact O-CD 3.31Å; P94-P96 WeakPolarHBondContact O-CD 3.27Å; P94-P96 VanDerWaalsContact O-N 3.16Å; P96-L98 PolarHBondContact O-N 3.14Å; P96-Y259 HydrophobicContact CG-CE1 3.7Å; P96-Y260 WeakPolarHBondContact CD-OH 3.11Å
97R64.9Low68.1Low242 Ų242107.9 Ų107.991%0.91354%0.536SS*.  trans-50.8114.1-176.6-73.9-175.6178.6177.1-0.2107.9I95I95-R97 PolarHBondContact O-N 2.88Å
98L74.3Confident70Confident60 Ų60103.2 Ų103.231%0.31451%0.514SS..PPolyproline II helixtrans-54.6146.9178.2-71.6171.3000107.7P96 Q107 M110 E256P96-L98 PolarHBondContact O-N 3.14Å; L98-Q107 HydrophobicContact CB-CG 3.86Å; L98-Q107 HydrophobicContact CD1-CG 4.12Å; L98-Q107 PolarHBondContact O-NE2 2.93Å; L98-M110 HydrophobicContact CD2-CB 4.32Å; L98-E256 HydrophobicContact CD2-CG 4.28Å
99R84.3Confident72Confident101 Ų10195.4 Ų95.438%0.38148%0.479SS..PPolyproline II helixtrans-79131.8179.9-172.6-177.7-58-1731.6110.4Q107 Q108 R221 T223R99-Q107 PolarHBondContact O-NE2 3.41Å; R99-Q108 WeakPolarHBondContact O-CA 3.34Å; R99-Q108 WeakPolarHBondContact O-CB 3.36Å; R99-Q108 WeakPolarHBondContact O-CG 3.46Å; R99-Q108 PolarHBondContact O-N 2.79Å; R99-R221 PolarHBondContact NH2-O 2.75Å; R99-T223 PolarHBondContact NH2-OG1 2.96Å
100R87.9Confident74.1Confident167 Ų16787.2 Ų87.263%0.6344%0.439SS*.BIsolated β-bridgetrans-82132.4169.1-166.8175.3-174.6-173.91.9110.4L105R100-L105 PolarHBondContact NE-O 2.84Å; R100-L105 PolarHBondContact NH2-O 3.4Å
101C91.3Very high76.3Confident4 Ų481.3 Ų81.33%0.02741%0.408CS..PPolyproline II helixtrans-80.1120.3173.9-175.90000110.1Y103 C104 L105 L106 Q108C101-Y103 VanDerWaalsContact C-N 3.28Å; C101-Y103 PolarHBondContact O-N 3.14Å; C101-C104 HydrophobicContact CB-CB 4.16Å; C101-C104 PolarHBondContact SG-N 3.2Å; C101-C104 VanDerWaalsContact SG-N 3.4Å; C101-L105 VanDerWaalsContact O-CA 3.23Å; C101-L105 WeakPolarHBondContact O-CA 3.45Å; C101-L105 PolarHBondContact O-N 3.45Å; C101-L106 PolarHBondContact N-O 3.05Å; C101-Q108 HydrophobicContact CB-CG 3.64Å
102G90.1Very high78.8Confident65 Ų6576 Ų7667%0.6737%0.374SS*.THydrogen-bonded Turntrans-67.3-23.6176.400000114.7L105G102-L105 WeakPolarHBondContact O-CD2 2.98Å
103Y91.3Very high81.2Confident175 Ų17570.2 Ų70.269%0.68635%0.347SS*.THydrogen-bonded Turntrans-86.2-47.8179.8-62.7-80.8000112.6C101 H114C101-Y103 VanDerWaalsContact C-N 3.28Å; C101-Y103 PolarHBondContact O-N 3.14Å; Y103-H114 VanDerWaalsContact CB-CE1 3.42Å; Y103-H114 WeakPolarHBondContact CB-CE1 3.43Å; Y103-H114 AromaticContact CD2-CD2 3.83Å; Y103-H114 AromaticContact CG-NE2 3.87Å
104C90.5Very high83.6Confident37 Ų3767 Ų6725%0.2533%0.329CS..THydrogen-bonded Turntrans-87.6-8.7-178.4-60.50000113C101 L106 H114C101-C104 HydrophobicContact CB-CB 4.16Å; C101-C104 PolarHBondContact SG-N 3.2Å; C101-C104 VanDerWaalsContact SG-N 3.4Å; C104-L106 HydrophobicContact CB-CD2 3.71Å; C104-L106 HydrophobicContact CB-CG 3.7Å; C104-L106 PolarHBondContact O-N 2.71Å; C104-H114 VanDerWaalsContact SG-CE1 3.59Å; C104-H114 PolarHBondContact SG-ND1 3.13Å
105L89.3Confident85.8Confident116 Ų11662 Ų6261%0.60730%0.296SS*.  trans56.915-177.5-56.5177.8000115.8R100 C101 G102R100-L105 PolarHBondContact NE-O 2.84Å; R100-L105 PolarHBondContact NH2-O 3.4Å; C101-L105 VanDerWaalsContact O-CA 3.23Å; C101-L105 WeakPolarHBondContact O-CA 3.45Å; C101-L105 PolarHBondContact O-N 3.45Å; G102-L105 WeakPolarHBondContact O-CD2 2.98Å
106L87.9Confident87.8Confident16 Ų1664.6 Ų64.68%0.08431%0.307CS..SBendtrans-105.3159.618063.581.1000112.9V71 C101 C104 Q108 C121V71-L106 HydrophobicContact CB-CD1 4.43Å; V71-L106 HydrophobicContact CB-CD2 4.26Å; V71-L106 HydrophobicContact CG1-CD1 3.87Å; V71-L106 HydrophobicContact CG1-CD2 3.94Å; C101-L106 PolarHBondContact N-O 3.05Å; C104-L106 HydrophobicContact CB-CD2 3.71Å; C104-L106 HydrophobicContact CB-CG 3.7Å; C104-L106 PolarHBondContact O-N 2.71Å; L106-Q108 HydrophobicContact CD1-CG 4.3Å; L106-Q108 PolarHBondContact O-N 3.47Å; L106-C121 HydrophobicContact CD1-CB 4.3Å
107Q87.7Confident89.3Confident50 Ų5064.8 Ų64.823%0.23431%0.312CS..BIsolated β-bridgetrans-72.4117.6169.8-163.655.262.200109.2V76 L98 R99 P109V76-Q107 HydrophobicContact CG1-CB 3.73Å; L98-Q107 HydrophobicContact CB-CG 3.86Å; L98-Q107 HydrophobicContact CD1-CG 4.12Å; L98-Q107 PolarHBondContact O-NE2 2.93Å; R99-Q107 PolarHBondContact O-NE2 3.41Å; Q107-P109 WeakPolarHBondContact O-CD 3.24Å
108Q89.1Confident90.6Very high18 Ų1854.6 Ų54.68%0.08428%0.277CS..PPolyproline II helixtrans-75.9123.5-178.8-60.1-177.3-97.100109.3R99 C101 L106 A112R99-Q108 WeakPolarHBondContact O-CA 3.34Å; R99-Q108 WeakPolarHBondContact O-CB 3.36Å; R99-Q108 WeakPolarHBondContact O-CG 3.46Å; R99-Q108 PolarHBondContact O-N 2.79Å; C101-Q108 HydrophobicContact CB-CG 3.64Å; L106-Q108 HydrophobicContact CD1-CG 4.3Å; L106-Q108 PolarHBondContact O-N 3.47Å; Q108-A112 PolarHBondContact NE2-O 2.62Å
109P90.4Very high91.6Very high18 Ų1856 Ų5612%0.11728%0.281CS..PPolyproline II helixtrans-56.2156.3167.6-22.633.5000111V71 Q107 A112V71-P109 HydrophobicContact CG1-CG 4.21Å; V71-P109 HydrophobicContact CG2-CG 4.2Å; Q107-P109 WeakPolarHBondContact O-CD 3.24Å; P109-A112 HydrophobicContact CB-CB 4.23Å; P109-A112 HydrophobicContact CG-CB 4.43Å; P109-A112 WeakPolarHBondContact O-CB 3.3Å; P109-A112 PolarHBondContact O-N 3.39Å
110M90.7Very high92.1Very high9 Ų955.3 Ų55.34%0.04428%0.282CS..THydrogen-bonded Turntrans-57.5142.1175.3-169.5175.3-77.100110.5L98 A112 Y224 F235 W255 E256 Y259L98-M110 HydrophobicContact CD2-CB 4.32Å; M110-A112 PolarHBondContact O-N 3.18Å; M110-A112 VanDerWaalsContact O-N 3.1Å; M110-Y224 HydrophobicContact CG-CD1 4.08Å; M110-Y224 HydrophobicContact CG-CE1 4.25Å; M110-Y224 HydrophobicContact CG-CG 4.31Å; M110-F235 HydrophobicContact CG-CZ 4.33Å; M110-F235 HydrophobicContact SD-CE1 4.09Å; M110-F235 HydrophobicContact SD-CZ 3.88Å; M110-W255 HydrophobicContact CB-CB 4.09Å; M110-W255 HydrophobicContact CG-CB 4.35Å; M110-E256 HydrophobicContact CB-CG 3.92Å; M110-E256 WeakPolarHBondContact CB-OE1 3.48Å; M110-E256 HydrophobicContact CE-CG 4.46Å; M110-E256 PolarHBondContact N-OE1 3.49Å; M110-Y259 HydrophobicContact CE-CD1 3.86Å; M110-Y259 HydrophobicContact CE-CD2 4.1Å; M110-Y259 HydrophobicContact CE-CE1 4.35Å; M110-Y259 HydrophobicContact CE-CG 3.7Å; M110-Y259 WeakPolarHBondContact SD-CB 3.39Å; M110-Y259 HydrophobicContact SD-CD1 4.4Å; M110-Y259 HydrophobicContact SD-CD2 3.82Å; M110-Y259 HydrophobicContact SD-CG 3.65Å
111R94.1Very high92.4Very high1 Ų147.3 Ų47.30%0.00425%0.252CS..THydrogen-bonded Turntrans61.35.6-171-44.6-178.171.7176.17115.6R124 F125 N210 E215 Y224 F235 W255R111-R124 CarbonylContact O-C 3.59Å; R111-R124 VanDerWaalsContact O-CA 3.25Å; R111-R124 WeakPolarHBondContact O-CA 3.46Å; R111-R124 PolarHBondContact O-N 2.73Å; R111-F125 PolarHBondContact O-N 3.4Å; R111-N210 PolarHBondContact NH1-OD1 3.47Å; R111-N210 VanDerWaalsContact NH1-OD1 3.08Å; R111-N210 PolarHBondContact NH2-O 3.37Å; R111-E215 WeakPolarHBondContact CG-OE1 3.46Å; R111-E215 IonicContact CZ-OE1 3.17Å; R111-E215 IonicContact CZ-OE2 3.6Å; R111-E215 IonicContact NE-OE1 2.86Å; R111-E215 PolarHBondContact NE-OE1 2.89Å; R111-E215 IonicContact NE-OE2 2.82Å; R111-E215 PolarHBondContact NE-OE2 2.9Å; R111-E215 IonicContact NH2-OE1 3.64Å; R111-E215 IonicContact NH2-OE2 3.62Å; R111-E215 PolarHBondContact NH2-OE2 3.27Å; R111-Y224 WeakPolarHBondContact CA-OH 3.24Å; R111-F235 HydrophobicContact CG-CE1 4.33Å; R111-F235 HydrophobicContact CG-CE2 4.15Å; R111-F235 HydrophobicContact CG-CZ 3.85Å; R111-W255 VanDerWaalsContact CD-CD2 3.46Å; R111-W255 HydrophobicContact CG-CB 4.17Å; R111-W255 HydrophobicContact CG-CD2 4.45Å; R111-W255 HydrophobicContact CG-CG 4.12Å; R111-W255 VanDerWaalsContact NH1-CE3 3.3Å
112A94.6Very high92.7Very high8 Ų847.1 Ų47.17%0.06625%0.25CS..  trans-86145.6173.600000112.2V71 Q108 P109 M110 V122V71-A112 HydrophobicContact CG2-CB 4.37Å; Q108-A112 PolarHBondContact NE2-O 2.62Å; P109-A112 HydrophobicContact CB-CB 4.23Å; P109-A112 HydrophobicContact CG-CB 4.43Å; P109-A112 WeakPolarHBondContact O-CB 3.3Å; P109-A112 PolarHBondContact O-N 3.39Å; M110-A112 PolarHBondContact O-N 3.18Å; M110-A112 VanDerWaalsContact O-N 3.1Å; A112-V122 WeakPolarHBondContact CA-O 3.25Å; A112-V122 WeakPolarHBondContact CB-O 3.31Å
113K95.1Very high92.9Very high61 Ų6146.5 Ų46.527%0.26523%0.228SC..EExtended strand (participates in β ladder)trans-141.2143.3177.6171.1171.9170.1-59.10112C115 C121 V122 F125 W214K113-C115 PolarHBondContact O-N 2.98Å; K113-C121 WeakPolarHBondContact O-CA 3.31Å; K113-V122 PolarHBondContact N-O 3.06Å; K113-V122 VanDerWaalsContact N-O 3.09Å; K113-V122 PolarHBondContact O-N 3.21Å; K113-F125 HydrophobicContact CB-CB 3.76Å; K113-F125 HydrophobicContact CB-CD1 3.88Å; K113-F125 HydrophobicContact CB-CG 3.84Å; K113-F125 HydrophobicContact CD-CD1 3.69Å; K113-F125 HydrophobicContact CD-CE1 3.79Å; K113-F125 HydrophobicContact CD-CG 4.43Å; K113-F125 HydrophobicContact CG-CD1 4.09Å; K113-F125 HydrophobicContact CG-CE1 4.41Å; K113-F125 HydrophobicContact CG-CG 4.34Å; K113-W214 HydrophobicContact CD-CD2 3.87Å; K113-W214 VanDerWaalsContact CD-CE2 3.47Å; K113-W214 HydrophobicContact CD-CG 3.91Å; K113-W214 HydrophobicContact CD-CZ2 4Å; K113-W214 VanDerWaalsContact CD-NE1 3.29Å
114H95.9Very high93.2Very high23 Ų2338.8 Ų38.811%0.10620%0.197CC..EExtended strand (participates in β ladder)trans-68.3126.1169.2-170.887.6000110.9Y103 C104Y103-H114 VanDerWaalsContact CB-CE1 3.42Å; Y103-H114 WeakPolarHBondContact CB-CE1 3.43Å; Y103-H114 AromaticContact CD2-CD2 3.83Å; Y103-H114 AromaticContact CG-NE2 3.87Å; C104-H114 VanDerWaalsContact SG-CE1 3.59Å; C104-H114 PolarHBondContact SG-ND1 3.13Å
115C96.9Very high93.5Very high5 Ų537.5 Ų37.53%0.03419%0.188CC..EExtended strand (participates in β ladder)trans-97.1116.8169.6179.80000109.5K113 A117 C118 K119 H120 V122 F125 C135K113-C115 PolarHBondContact O-N 2.98Å; C115-A117 VanDerWaalsContact C-N 3.25Å; C115-A117 PolarHBondContact O-N 2.87Å; C115-C118 HydrophobicContact CB-CB 4.08Å; C115-C118 PolarHBondContact O-N 3.5Å; C115-C118 PolarHBondContact SG-N 3.47Å; C115-C118 VanDerWaalsContact SG-N 3.43Å; C115-K119 WeakPolarHBondContact O-CA 3.33Å; C115-K119 PolarHBondContact O-N 3.44Å; C115-H120 PolarHBondContact N-O 3.32Å; C115-V122 HydrophobicContact CB-CG2 4.48Å; C115-F125 HydrophobicContact CB-CE2 4Å; C115-C135 VanDerWaalsContact CB-SG 3.58Å; C115-C135 PolarHBondContact SG-SG 3.33Å
116Q94.9Very high93.9Very high138 Ų13832.1 Ų32.165%0.64516%0.159SC*.THydrogen-bonded Turntrans-67.1-26.6-179.3-172.5176.2-4.800113.1K119Q116-K119 WeakPolarHBondContact O-CD 3.45Å; Q116-K119 WeakPolarHBondContact O-CE 3.26Å; Q116-K119 PolarHBondContact O-NZ 2.95Å
117A93.5Very high94.4Very high47 Ų4733.2 Ų33.239%0.38816%0.164SC..THydrogen-bonded Turntrans-73.6-51.5175.100000111C115 K119 H128C115-A117 VanDerWaalsContact C-N 3.25Å; C115-A117 PolarHBondContact O-N 2.87Å; A117-K119 VanDerWaalsContact C-N 3.34Å; A117-K119 PolarHBondContact O-N 3.15Å; A117-H128 WeakPolarHBondContact CB-NE2 3.4Å
118C93.3Very high94.9Very high28 Ų2833.4 Ų33.419%0.18917%0.165CC..THydrogen-bonded Turntrans-77.9-14.4179.9-57.10000114.3F70 C115 H120 H128 C135F70-C118 HydrophobicContact CE1-CB 3.95Å; F70-C118 HydrophobicContact CZ-CB 4.28Å; C115-C118 HydrophobicContact CB-CB 4.08Å; C115-C118 PolarHBondContact O-N 3.5Å; C115-C118 PolarHBondContact SG-N 3.47Å; C115-C118 VanDerWaalsContact SG-N 3.43Å; C118-H120 PolarHBondContact O-N 2.94Å; C118-H120 PolarHBondContact O-ND1 3.22Å; C118-H128 VanDerWaalsContact SG-CE1 3.6Å; C118-H128 PolarHBondContact SG-ND1 3.38Å; C118-C135 PolarHBondContact SG-SG 3.01Å
119K94Very high95.3Very high88 Ų8832.8 Ų32.838%0.38316%0.163SC..THydrogen-bonded Turntrans60.420.9-177.2-58.3-61-176.3-162.10115.8M1 C115 Q116 A117M1-K119 HydrophobicContact CE-CD 4.45Å; C115-K119 WeakPolarHBondContact O-CA 3.33Å; C115-K119 PolarHBondContact O-N 3.44Å; Q116-K119 WeakPolarHBondContact O-CD 3.45Å; Q116-K119 WeakPolarHBondContact O-CE 3.26Å; Q116-K119 PolarHBondContact O-NZ 2.95Å; A117-K119 VanDerWaalsContact C-N 3.34Å; A117-K119 PolarHBondContact O-N 3.15Å
120H94.4Very high95.5Very high87 Ų8735.1 Ų35.140%0.40318%0.178SC..EExtended strand (participates in β ladder)trans-131.2153.7179.5-67.486.7000110.5F70 C115 C118F70-H120 HydrophobicContact CB-CB 4.4Å; F70-H120 HydrophobicContact CD1-CB 3.34Å; F70-H120 AromaticContact CD1-CG 3.99Å; F70-H120 HydrophobicContact CE1-CB 3.8Å; F70-H120 HydrophobicContact CG-CB 4.03Å; C115-H120 PolarHBondContact N-O 3.32Å; C118-H120 PolarHBondContact O-N 2.94Å; C118-H120 PolarHBondContact O-ND1 3.22Å
121C96.1Very high95.7Very high0 Ų043.3 Ų43.30%021%0.208CC..EExtended strand (participates in β ladder)trans-73.2134.4162.3-75.40000108.8F70 V71 L106 K113F70-C121 CarbonylContact C-O 3.54Å; F70-C121 WeakPolarHBondContact CA-O 3.47Å; V71-C121 HydrophobicContact CB-CB 3.95Å; V71-C121 HydrophobicContact CG2-CB 3.9Å; V71-C121 PolarHBondContact N-O 3.05Å; L106-C121 HydrophobicContact CD1-CB 4.3Å; K113-C121 WeakPolarHBondContact O-CA 3.31Å
122V96.6Very high95.8Very high0 Ų043.3 Ų43.30%021%0.208CC..EExtended strand (participates in β ladder)trans-116.2130.9179.2-177.80000108.3P68 F70 A112 K113 C115 F125 C135P68-V122 HydrophobicContact CB-CG1 3.89Å; P68-V122 HydrophobicContact CG-CG1 4.07Å; P68-V122 HydrophobicContact CG-CG2 4.36Å; F70-V122 HydrophobicContact CD1-CG2 3.85Å; F70-V122 HydrophobicContact CE1-CG2 3.87Å; A112-V122 WeakPolarHBondContact CA-O 3.25Å; A112-V122 WeakPolarHBondContact CB-O 3.31Å; K113-V122 PolarHBondContact N-O 3.06Å; K113-V122 VanDerWaalsContact N-O 3.09Å; K113-V122 PolarHBondContact O-N 3.21Å; C115-V122 HydrophobicContact CB-CG2 4.48Å; V122-F125 HydrophobicContact CB-CB 4.31Å; V122-F125 HydrophobicContact CB-CD2 3.97Å; V122-F125 HydrophobicContact CG1-CD2 4.43Å; V122-F125 HydrophobicContact CG2-CD2 4.32Å; V122-C135 HydrophobicContact CG1-CB 4.35Å; V122-C135 HydrophobicContact CG2-CB 4Å
123R95.5Very high95.8Very high51 Ų5144.9 Ų44.919%0.19221%0.214CC..THydrogen-bonded Turntrans-68.6142.5176.1-65.117956.691.710110.7G69 V71 F125 E138 V253G69-R123 WeakPolarHBondContact O-CG 3.32Å; G69-R123 PolarHBondContact O-N 2.84Å; V71-R123 HydrophobicContact CG2-CG 3.61Å; R123-F125 PolarHBondContact O-N 2.92Å; R123-E138 HydrophobicContact CB-CB 3.99Å; R123-E138 WeakPolarHBondContact CB-OE2 3.46Å; R123-E138 IonicContact CZ-OE2 3.36Å; R123-E138 IonicContact NE-OE2 2.71Å; R123-E138 PolarHBondContact NE-OE2 3.48Å; R123-E138 IonicContact NH2-OE1 3.79Å; R123-E138 IonicContact NH2-OE2 3.12Å; R123-E138 PolarHBondContact NH2-OE2 3.26Å; R123-E138 VanDerWaalsContact NH2-OE2 3.12Å; R123-E138 PolarHBondContact O-N 3.46Å; R123-V253 PolarHBondContact NH2-O 3.29Å
124R95.6Very high95.8Very high13 Ų1342.6 Ų42.65%0.04921%0.205CC..THydrogen-bonded Turntrans39.254.6-174.6-163.3-171.2-175.3-105.8-2.3111.1R111 D126 E138 H141 N210 T212 W255R111-R124 CarbonylContact O-C 3.59Å; R111-R124 VanDerWaalsContact O-CA 3.25Å; R111-R124 WeakPolarHBondContact O-CA 3.46Å; R111-R124 PolarHBondContact O-N 2.73Å; R124-D126 PolarHBondContact O-N 2.83Å; R124-E138 HydrophobicContact CB-CB 3.75Å; R124-E138 HydrophobicContact CB-CG 4.16Å; R124-H141 PolarHBondContact NH1-ND1 3.46Å; R124-N210 PolarHBondContact NH2-OD1 3.29Å; R124-T212 HydrophobicContact CG-CG2 3.92Å; R124-W255 HydrophobicContact CG-CZ2 4.21Å
125F97.6Very high96Very high11 Ų1141.5 Ų41.55%0.04820%0.2CC..  trans-62.2123-172.7171.8-92.2000109.5R111 K113 C115 V122 R123 W214R111-F125 PolarHBondContact O-N 3.4Å; K113-F125 HydrophobicContact CB-CB 3.76Å; K113-F125 HydrophobicContact CB-CD1 3.88Å; K113-F125 HydrophobicContact CB-CG 3.84Å; K113-F125 HydrophobicContact CD-CD1 3.69Å; K113-F125 HydrophobicContact CD-CE1 3.79Å; K113-F125 HydrophobicContact CD-CG 4.43Å; K113-F125 HydrophobicContact CG-CD1 4.09Å; K113-F125 HydrophobicContact CG-CE1 4.41Å; K113-F125 HydrophobicContact CG-CG 4.34Å; C115-F125 HydrophobicContact CB-CE2 4Å; V122-F125 HydrophobicContact CB-CB 4.31Å; V122-F125 HydrophobicContact CB-CD2 3.97Å; V122-F125 HydrophobicContact CG1-CD2 4.43Å; V122-F125 HydrophobicContact CG2-CD2 4.32Å; R123-F125 PolarHBondContact O-N 2.92Å; F125-W214 HydrophobicContact CD1-CB 3.8Å; F125-W214 AromaticContact CD1-CG 3.98Å; F125-W214 HydrophobicContact CD1-CG 3.98Å; F125-W214 HydrophobicContact CE1-CB 4.05Å; F125-W214 HydrophobicContact CE1-CG 4.26Å
126D98.4Very high96Very high2 Ų241.2 Ų41.21%0.01120%0.198CC..  trans-93.6-66174.4-165.581.4000110.6R124 V136 H141 H203 T212 T213 W214R124-D126 PolarHBondContact O-N 2.83Å; D126-V136 HydrophobicContact CB-CB 4.27Å; D126-V136 HydrophobicContact CB-CG1 4.14Å; D126-V136 WeakPolarHBondContact CB-O 3.47Å; D126-V136 PolarHBondContact N-O 2.89Å; D126-H141 IonicContact OD1-CE1 2.69Å; D126-H141 PolarHBondContact OD1-CE1 3.36Å; D126-H141 VanDerWaalsContact OD1-CE1 3.26Å; D126-H203 IonicContact OD2-CE1 3.31Å; D126-H203 PolarHBondContact OD2-CE1 3.08Å; D126-H203 VanDerWaalsContact OD2-CE1 3.29Å; D126-T212 VanDerWaalsContact OD1-CA 3.25Å; D126-T212 WeakPolarHBondContact OD1-CA 3.33Å; D126-T212 WeakPolarHBondContact OD1-CB 3.29Å; D126-T213 PolarHBondContact OD1-N 3.06Å; D126-T213 PolarHBondContact OD1-OG1 2.84Å; D126-T213 VanDerWaalsContact OD2-CB 3.31Å; D126-T213 WeakPolarHBondContact OD2-CB 3.25Å; D126-T213 PolarHBondContact OD2-OG1 3.06Å; D126-W214 WeakPolarHBondContact O-CB 3.18Å; D126-W214 PolarHBondContact O-N 3.25Å
127H98.2Very high96.2Very high39 Ų3934.7 Ų34.718%0.18117%0.168CC..EExtended strand (participates in β ladder)trans-158.6172.1175.264.7-80000111.5C129 C135 V136 H203H127-C129 WeakPolarHBondContact NE2-CB 3.31Å; H127-C135 WeakPolarHBondContact O-CA 3.28Å; H127-V136 PolarHBondContact N-O 3.42Å; H127-V136 PolarHBondContact O-N 2.89Å; H127-H203 AromaticContact CE1-CE1 3.66Å; H127-H203 AromaticContact CE1-NE2 3.7Å; H127-H203 AromaticContact ND1-CE1 3.93Å
128H97.9Very high96.2Very high54 Ų5433.6 Ų33.625%0.2516%0.155CC..EExtended strand (participates in β ladder)trans-98.4121.3162.1-178.875.6000107.9A117 C118 P130A117-H128 WeakPolarHBondContact CB-NE2 3.4Å; C118-H128 VanDerWaalsContact SG-CE1 3.6Å; C118-H128 PolarHBondContact SG-ND1 3.38Å; H128-P130 WeakPolarHBondContact O-CD 3.43Å
129C97.4Very high96.3Very high6 Ų638 Ų384%0.04117%0.167CC..EExtended strand (participates in β ladder)trans-101.3111.5-175.7-176.60000109.4H127 W131 I132 E133 N134 V136H127-C129 WeakPolarHBondContact NE2-CB 3.31Å; C129-W131 PolarHBondContact O-N 3.03Å; C129-I132 HydrophobicContact CB-CD1 4.07Å; C129-I132 HydrophobicContact CB-CG1 3.67Å; C129-I132 PolarHBondContact O-N 3.12Å; C129-E133 PolarHBondContact O-N 3.1Å; C129-N134 PolarHBondContact N-O 3.18Å; C129-N134 PolarHBondContact O-N 2.88Å; C129-V136 HydrophobicContact CB-CG2 4.23Å
130P94.8Very high96.5Very high67 Ų6733.8 Ų33.844%0.43515%0.149SC..THydrogen-bonded Turntrans-66.2-25.3178.427.1-33.8000111.9H128 I132 E133H128-P130 WeakPolarHBondContact O-CD 3.43Å; P130-I132 VanDerWaalsContact C-N 3.27Å; P130-I132 PolarHBondContact O-N 3.32Å; P130-E133 WeakPolarHBondContact O-CG 3.38Å; P130-E133 PolarHBondContact O-N 2.89Å
131W94.4Very high96.6Very high180 Ų18029.8 Ų29.868%0.68213%0.13SC*.THydrogen-bonded Turntrans-67.5-26.6-178.9-57.7106.3000114.1I12 Y60 C129I12-W131 VanDerWaalsContact CG2-O 3.28Å; I12-W131 WeakPolarHBondContact CG2-O 3.42Å; Y60-W131 WeakPolarHBondContact CE2-O 3.25Å; Y60-W131 PolarHBondContact OH-O 3.18Å; C129-W131 PolarHBondContact O-N 3.03Å
132I95.6Very high96.6Very high1 Ų132.2 Ų32.21%0.00514%0.14CC..THydrogen-bonded Turntrans-111.9-0176.465.7170000111.8Y60 V63 S64 C129 P130 N134 V136 F144Y60-I132 HydrophobicContact CD2-CG2 4.15Å; Y60-I132 HydrophobicContact CE2-CG2 3.91Å; V63-I132 HydrophobicContact CB-CD1 4.35Å; V63-I132 HydrophobicContact CG2-CB 4.45Å; V63-I132 HydrophobicContact CG2-CD1 4.24Å; V63-I132 HydrophobicContact CG2-CG2 3.88Å; S64-I132 WeakPolarHBondContact CB-O 3.41Å; S64-I132 PolarHBondContact OG-O 3.49Å; C129-I132 HydrophobicContact CB-CD1 4.07Å; C129-I132 HydrophobicContact CB-CG1 3.67Å; C129-I132 PolarHBondContact O-N 3.12Å; P130-I132 VanDerWaalsContact C-N 3.27Å; P130-I132 PolarHBondContact O-N 3.32Å; I132-N134 HydrophobicContact CD1-CB 4.05Å; I132-N134 HydrophobicContact CG1-CB 4.03Å; I132-N134 PolarHBondContact O-N 2.67Å; I132-V136 HydrophobicContact CD1-CG2 4.14Å; I132-F144 HydrophobicContact CD1-CD2 4.31Å
133E95Very high96.7Very high41 Ų4133.9 Ų33.919%0.19215%0.15CC..THydrogen-bonded Turntrans46.142.7-174.1-73.2-75103.200113.1S8 I12 C129 P130S8-E133 VanDerWaalsContact CB-OE2 3.25Å; S8-E133 WeakPolarHBondContact CB-OE2 3.39Å; S8-E133 PolarHBondContact OG-OE2 3.48Å; I12-E133 HydrophobicContact CB-CG 3.92Å; I12-E133 HydrophobicContact CD1-CG 3.25Å; I12-E133 WeakPolarHBondContact CD1-OE1 3.46Å; I12-E133 HydrophobicContact CG1-CG 4.13Å; I12-E133 HydrophobicContact CG2-CG 4.13Å; C129-E133 PolarHBondContact O-N 3.1Å; P130-E133 WeakPolarHBondContact O-CG 3.38Å; P130-E133 PolarHBondContact O-N 2.89Å
134N96.8Very high96.8Very high13 Ų1331.7 Ų31.77%0.0714%0.143CC..EExtended strand (participates in β ladder)trans-150.7160.8-178.2-162.410.2000110.7V63 M66 C129 I132V63-N134 PolarHBondContact O-ND2 3.24Å; M66-N134 PolarHBondContact O-ND2 3.3Å; C129-N134 PolarHBondContact N-O 3.18Å; C129-N134 PolarHBondContact O-N 2.88Å; I132-N134 HydrophobicContact CD1-CB 4.05Å; I132-N134 HydrophobicContact CG1-CB 4.03Å; I132-N134 PolarHBondContact O-N 2.67Å
135C98.3Very high96.9Very high0 Ų031.4 Ų31.40%014%0.142CC..EExtended strand (participates in β ladder)trans-75.4150.5168.8-83.10000111.2P68 C115 C118 V122 H127 N140P68-C135 HydrophobicContact CB-CB 3.92Å; P68-C135 WeakPolarHBondContact CB-O 3.35Å; P68-C135 HydrophobicContact CG-CB 3.84Å; C115-C135 VanDerWaalsContact CB-SG 3.58Å; C115-C135 PolarHBondContact SG-SG 3.33Å; C118-C135 PolarHBondContact SG-SG 3.01Å; V122-C135 HydrophobicContact CG1-CB 4.35Å; V122-C135 HydrophobicContact CG2-CB 4Å; H127-C135 WeakPolarHBondContact O-CA 3.28Å; C135-N140 PolarHBondContact O-ND2 3.47Å
136V98.6Very high97Very high0 Ų034.8 Ų34.80%016%0.16CC..EExtended strand (participates in β ladder)trans-101.3121.6161.3-1770000106.7D126 H127 C129 I132 N140 H141 F144D126-V136 HydrophobicContact CB-CB 4.27Å; D126-V136 HydrophobicContact CB-CG1 4.14Å; D126-V136 WeakPolarHBondContact CB-O 3.47Å; D126-V136 PolarHBondContact N-O 2.89Å; H127-V136 PolarHBondContact N-O 3.42Å; H127-V136 PolarHBondContact O-N 2.89Å; C129-V136 HydrophobicContact CB-CG2 4.23Å; I132-V136 HydrophobicContact CD1-CG2 4.14Å; V136-N140 WeakPolarHBondContact CA-OD1 3.25Å; V136-H141 HydrophobicContact CG1-CB 4.03Å; V136-F144 HydrophobicContact CG1-CB 4.16Å; V136-F144 HydrophobicContact CG1-CD1 4.08Å; V136-F144 HydrophobicContact CG1-CG 4.13Å; V136-F144 HydrophobicContact CG2-CB 4.42Å; V136-F144 HydrophobicContact CG2-CD1 4.21Å; V136-F144 HydrophobicContact CG2-CD2 3.82Å; V136-F144 HydrophobicContact CG2-CE1 4.44Å; V136-F144 HydrophobicContact CG2-CE2 4.09Å; V136-F144 HydrophobicContact CG2-CG 3.89Å; V136-F144 HydrophobicContact CG2-CZ 4.38Å
137G97.3Very high97Very high0 Ų035.6 Ų35.60%016%0.163CC..  trans-151.8-171.1-17400000111.9P68 R139 N140 H141P68-G137 CarbonylContact O-C 3.57Å; P68-G137 WeakPolarHBondContact O-CA 3.22Å; G137-R139 PolarHBondContact O-N 3.04Å; G137-N140 PolarHBondContact N-OD1 3.36Å; G137-N140 PolarHBondContact O-N 2.64Å; G137-N140 PolarHBondContact O-OD1 3.02Å; G137-H141 VanDerWaalsContact O-CB 3.28Å; G137-H141 WeakPolarHBondContact O-CB 3.35Å; G137-H141 PolarHBondContact O-N 3.26Å
138E95.6Very high97Very high25 Ų2534 Ų3412%0.11716%0.156CC..THydrogen-bonded Turntrans-48.5-42-170.5-166.5168.3-14900114.5P68 R123 R124 V253 W255P68-E138 PolarHBondContact O-N 2.88Å; P68-E138 VanDerWaalsContact O-N 3.13Å; R123-E138 HydrophobicContact CB-CB 3.99Å; R123-E138 WeakPolarHBondContact CB-OE2 3.46Å; R123-E138 IonicContact CZ-OE2 3.36Å; R123-E138 IonicContact NE-OE2 2.71Å; R123-E138 PolarHBondContact NE-OE2 3.48Å; R123-E138 IonicContact NH2-OE1 3.79Å; R123-E138 IonicContact NH2-OE2 3.12Å; R123-E138 PolarHBondContact NH2-OE2 3.26Å; R123-E138 VanDerWaalsContact NH2-OE2 3.12Å; R123-E138 PolarHBondContact O-N 3.46Å; R124-E138 HydrophobicContact CB-CB 3.75Å; R124-E138 HydrophobicContact CB-CG 4.16Å; E138-V253 PolarHBondContact OE1-N 3.21Å; E138-W255 PolarHBondContact OE1-NE1 3Å
139R94.8Very high97Very high120 Ų12033.7 Ų33.745%0.45316%0.162SC..THydrogen-bonded Turntrans-83.3-33-172.4-69-173.5175.1163-6.4113.7M66 D67 P68 G137M66-R139 HydrophobicContact CE-CB 4.27Å; M66-R139 WeakPolarHBondContact CE-O 3.43Å; D67-R139 VanDerWaalsContact O-CB 3.3Å; D67-R139 WeakPolarHBondContact O-CB 3.41Å; D67-R139 IonicContact OD2-CZ 3.82Å; D67-R139 IonicContact OD2-NH1 2.73Å; D67-R139 PolarHBondContact OD2-NH1 2.87Å; P68-R139 PolarHBondContact O-N 3.12Å; G137-R139 PolarHBondContact O-N 3.04Å
140N96.9Very high97.1Very high0 Ų034.5 Ų34.50%017%0.167CC..THydrogen-bonded Turntrans-109.7-5.7-173.673-15.1000114.7M66 C135 V136 G137 R142 C143 F144M66-N140 HydrophobicContact CB-CB 4.25Å; M66-N140 HydrophobicContact CE-CB 4.3Å; M66-N140 HydrophobicContact CG-CB 3.95Å; M66-N140 HydrophobicContact SD-CB 3.61Å; C135-N140 PolarHBondContact O-ND2 3.47Å; V136-N140 WeakPolarHBondContact CA-OD1 3.25Å; G137-N140 PolarHBondContact N-OD1 3.36Å; G137-N140 PolarHBondContact O-N 2.64Å; G137-N140 PolarHBondContact O-OD1 3.02Å; N140-R142 VanDerWaalsContact C-N 3.27Å; N140-R142 PolarHBondContact O-N 2.86Å; N140-C143 PolarHBondContact O-N 3.32Å; N140-C143 VanDerWaalsContact O-N 3.12Å; N140-F144 PolarHBondContact O-N 2.72Å
141H97.2Very high97.3Very high3 Ų332.3 Ų32.31%0.01415%0.15CC..Hα-helixtrans-55.4-40.3-177-157.2158.4000112.3R124 D126 V136 G137 F144 I145 H203 F246R124-H141 PolarHBondContact NH1-ND1 3.46Å; D126-H141 IonicContact OD1-CE1 2.69Å; D126-H141 PolarHBondContact OD1-CE1 3.36Å; D126-H141 VanDerWaalsContact OD1-CE1 3.26Å; V136-H141 HydrophobicContact CG1-CB 4.03Å; G137-H141 VanDerWaalsContact O-CB 3.28Å; G137-H141 WeakPolarHBondContact O-CB 3.35Å; G137-H141 PolarHBondContact O-N 3.26Å; H141-F144 WeakPolarHBondContact O-CB 3.32Å; H141-F144 PolarHBondContact O-N 3.25Å; H141-I145 WeakPolarHBondContact O-CG1 3.4Å; H141-I145 PolarHBondContact O-N 3.48Å; H141-H203 AromaticContact NE2-ND1 3.48Å; H141-H203 PolarHBondContact NE2-ND1 3.08Å; H141-F246 HydrophobicContact CB-CE2 4.01Å; H141-F246 HydrophobicContact CB-CZ 3.99Å; H141-F246 AromaticContact CD2-CZ 3.68Å; H141-F246 AromaticContact CG-CE2 3.68Å; H141-F246 AromaticContact CG-CZ 3.71Å; H141-F246 AromaticContact ND1-CE2 3.85Å
142R96.4Very high97.5Very high51 Ų5125 Ų2519%0.19213%0.125CC..Hα-helixtrans-63.9-47.2177.7-64.8171.4-171.1-164.8-11.9112.7N140 F144 I145 I146 D245 F246 M249 C250N140-R142 VanDerWaalsContact C-N 3.27Å; N140-R142 PolarHBondContact O-N 2.86Å; R142-F144 PolarHBondContact O-N 3.25Å; R142-I145 PolarHBondContact O-N 2.96Å; R142-I145 VanDerWaalsContact O-N 3.1Å; R142-I146 WeakPolarHBondContact O-CG1 3.18Å; R142-I146 PolarHBondContact O-N 2.84Å; R142-D245 PolarHBondContact NH2-O 2.94Å; R142-F246 VanDerWaalsContact CD-O 3.28Å; R142-F246 WeakPolarHBondContact CD-O 3.41Å; R142-F246 HydrophobicContact CG-CD1 4.36Å; R142-F246 HydrophobicContact CG-CE1 3.93Å; R142-F246 HydrophobicContact CG-CZ 4.06Å; R142-F246 WeakPolarHBondContact CG-O 3.27Å; R142-F246 PolarHBondContact NE-O 3.49Å; R142-F246 PolarHBondContact NH2-O 2.94Å; R142-M249 PolarHBondContact NH1-O 2.95Å; R142-M249 VanDerWaalsContact NH2-C 3.3Å; R142-M249 PolarHBondContact NH2-O 3.37Å; R142-C250 PolarHBondContact NH1-SG 3.38Å
143C97.5Very high97.6Very high34 Ų3429.8 Ų29.823%0.2315%0.15CC..Hα-helixtrans-60.4-35.8177-63.40000110.3V63 M66 N140 I146 Y147V63-C143 HydrophobicContact CG1-CB 3.66Å; V63-C143 WeakPolarHBondContact CG1-O 3.28Å; M66-C143 HydrophobicContact SD-CB 4.47Å; N140-C143 PolarHBondContact O-N 3.32Å; N140-C143 VanDerWaalsContact O-N 3.12Å; C143-I146 PolarHBondContact O-N 3.47Å; C143-Y147 VanDerWaalsContact O-CB 3.25Å; C143-Y147 WeakPolarHBondContact O-CB 3.42Å; C143-Y147 PolarHBondContact O-N 2.95Å
144F98.3Very high97.8Very high6 Ų628.2 Ų28.23%0.02614%0.144CC..Hα-helixtrans-62.2-43.7173.6-179.5-101.7000112.6V63 I132 V136 N140 H141 R142 Y147 L148 H203V63-F144 HydrophobicContact CG1-CB 4.37Å; I132-F144 HydrophobicContact CD1-CD2 4.31Å; V136-F144 HydrophobicContact CG1-CB 4.16Å; V136-F144 HydrophobicContact CG1-CD1 4.08Å; V136-F144 HydrophobicContact CG1-CG 4.13Å; V136-F144 HydrophobicContact CG2-CB 4.42Å; V136-F144 HydrophobicContact CG2-CD1 4.21Å; V136-F144 HydrophobicContact CG2-CD2 3.82Å; V136-F144 HydrophobicContact CG2-CE1 4.44Å; V136-F144 HydrophobicContact CG2-CE2 4.09Å; V136-F144 HydrophobicContact CG2-CG 3.89Å; V136-F144 HydrophobicContact CG2-CZ 4.38Å; N140-F144 PolarHBondContact O-N 2.72Å; H141-F144 WeakPolarHBondContact O-CB 3.32Å; H141-F144 PolarHBondContact O-N 3.25Å; R142-F144 PolarHBondContact O-N 3.25Å; F144-Y147 HydrophobicContact CD2-CD1 4.44Å; F144-Y147 WeakPolarHBondContact O-CB 3.42Å; F144-Y147 PolarHBondContact O-N 3.1Å; F144-L148 HydrophobicContact CD1-CD1 4.1Å; F144-L148 HydrophobicContact CE1-CD1 3.53Å; F144-L148 HydrophobicContact CE1-CG 4.18Å; F144-L148 HydrophobicContact CZ-CD1 3.85Å; F144-L148 HydrophobicContact CZ-CD2 4.3Å; F144-L148 HydrophobicContact CZ-CG 4.18Å; F144-L148 WeakPolarHBondContact O-CG 3.36Å; F144-L148 PolarHBondContact O-N 2.93Å; F144-H203 AromaticContact CE1-CD2 3.97Å; F144-H203 AromaticContact CE1-CE1 3.93Å; F144-H203 AromaticContact CE1-NE2 3.6Å
145I98.5Very high97.9Very high6 Ų628.1 Ų28.13%0.03114%0.143CC..Hα-helixtrans-66.8-42.7175.9-58.1-53.7000112.1H141 R142 Y147 L148 A149 L200 H203 L204 I207 F246 F247H141-I145 WeakPolarHBondContact O-CG1 3.4Å; H141-I145 PolarHBondContact O-N 3.48Å; R142-I145 PolarHBondContact O-N 2.96Å; R142-I145 VanDerWaalsContact O-N 3.1Å; I145-Y147 VanDerWaalsContact C-N 3.31Å; I145-Y147 PolarHBondContact O-N 2.86Å; I145-L148 PolarHBondContact O-N 2.57Å; I145-A149 PolarHBondContact O-N 3.41Å; I145-L200 HydrophobicContact CG2-CD1 3.96Å; I145-H203 HydrophobicContact CD1-CB 3.56Å; I145-L204 HydrophobicContact CG2-CD2 4.39Å; I145-I207 HydrophobicContact CD1-CD1 3.89Å; I145-I207 HydrophobicContact CG1-CD1 3.74Å; I145-F246 HydrophobicContact CB-CE1 4.46Å; I145-F246 HydrophobicContact CG1-CE1 3.84Å; I145-F246 HydrophobicContact CG1-CZ 3.89Å; I145-F247 HydrophobicContact CG2-CE1 4.1Å; I145-F247 HydrophobicContact CG2-CZ 4.09Å
146I98.4Very high97.9Very high83 Ų8332 Ų3243%0.42616%0.163SC..Hα-helixtrans-61.7-43.3176.1-65.7167.7000110.2L59 R142 C143 A149 V150L59-I146 HydrophobicContact CD1-CG2 4.03Å; L59-I146 HydrophobicContact CD2-CG2 4.22Å; R142-I146 WeakPolarHBondContact O-CG1 3.18Å; R142-I146 PolarHBondContact O-N 2.84Å; C143-I146 PolarHBondContact O-N 3.47Å; I146-A149 PolarHBondContact O-N 3.45Å; I146-V150 HydrophobicContact CG2-CG2 4.4Å; I146-V150 WeakPolarHBondContact O-CG2 3.26Å; I146-V150 PolarHBondContact O-N 2.86Å
147Y98.6Very high97.9Very high19 Ų1935 Ų358%0.07518%0.175CC..Hα-helixtrans-56.8-50.5173.3164-114.7000111.5H16 L59 Y60 V63 C143 F144 I145 A149 V150 Q151H16-Y147 PolarHBondContact NE2-OH 3.3Å; L59-Y147 HydrophobicContact CB-CD2 4.08Å; Y60-Y147 HydrophobicContact CD2-CE2 4.26Å; Y60-Y147 AromaticContact CD2-CZ 3.91Å; V63-Y147 HydrophobicContact CG2-CD1 4.11Å; V63-Y147 HydrophobicContact CG2-CG 4.27Å; C143-Y147 VanDerWaalsContact O-CB 3.25Å; C143-Y147 WeakPolarHBondContact O-CB 3.42Å; C143-Y147 PolarHBondContact O-N 2.95Å; F144-Y147 HydrophobicContact CD2-CD1 4.44Å; F144-Y147 WeakPolarHBondContact O-CB 3.42Å; F144-Y147 PolarHBondContact O-N 3.1Å; I145-Y147 VanDerWaalsContact C-N 3.31Å; I145-Y147 PolarHBondContact O-N 2.86Å; Y147-A149 VanDerWaalsContact C-N 3.32Å; Y147-A149 PolarHBondContact O-N 3.26Å; Y147-V150 PolarHBondContact O-N 2.8Å; Y147-Q151 HydrophobicContact CD2-CB 4.41Å; Y147-Q151 HydrophobicContact CE2-CB 4.07Å; Y147-Q151 HydrophobicContact CE2-CG 4.32Å; Y147-Q151 WeakPolarHBondContact O-CB 3.48Å; Y147-Q151 PolarHBondContact O-N 3.17Å
148L98.7Very high98Very high6 Ų635.2 Ų35.23%0.03118%0.177CC..Hα-helixtrans-59.5-41178.4-71.1-179.6000112.4F144 I145 L152 V196 L199 L200F144-L148 HydrophobicContact CD1-CD1 4.1Å; F144-L148 HydrophobicContact CE1-CD1 3.53Å; F144-L148 HydrophobicContact CE1-CG 4.18Å; F144-L148 HydrophobicContact CZ-CD1 3.85Å; F144-L148 HydrophobicContact CZ-CD2 4.3Å; F144-L148 HydrophobicContact CZ-CG 4.18Å; F144-L148 WeakPolarHBondContact O-CG 3.36Å; F144-L148 PolarHBondContact O-N 2.93Å; I145-L148 PolarHBondContact O-N 2.57Å; L148-L152 VanDerWaalsContact O-CB 3.31Å; L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 PolarHBondContact O-N 3.34Å; L148-V196 HydrophobicContact CD2-CG1 4.31Å; L148-V196 WeakPolarHBondContact O-CG1 3.33Å; L148-L199 HydrophobicContact CD1-CB 4.4Å; L148-L200 HydrophobicContact CB-CB 4.42Å; L148-L200 HydrophobicContact CB-CD1 4.07Å
149A98.8Very high98.1Very high46 Ų4636 Ų3638%0.3818%0.181SC..Hα-helixtrans-66.5-45.9178.600000112.6I145 I146 Y147 L152 L153 L200I145-A149 PolarHBondContact O-N 3.41Å; I146-A149 PolarHBondContact O-N 3.45Å; Y147-A149 VanDerWaalsContact C-N 3.32Å; Y147-A149 PolarHBondContact O-N 3.26Å; A149-L152 PolarHBondContact O-N 2.67Å; A149-L153 PolarHBondContact O-N 3.17Å; A149-L200 HydrophobicContact CB-CD2 4.34Å
150V98.8Very high98.3Very high23 Ų2337.1 Ų37.114%0.13919%0.192CC..Hα-helixtrans-66.2-41.5176.6171.80000111L52 L55 L59 I146 Y147 L152 L153 A154L52-V150 HydrophobicContact CD1-CG1 3.88Å; L55-V150 HydrophobicContact CD2-CG1 4.14Å; L55-V150 HydrophobicContact CD2-CG2 4.36Å; L55-V150 HydrophobicContact CG-CG1 4.14Å; L59-V150 HydrophobicContact CD1-CB 3.81Å; L59-V150 HydrophobicContact CD1-CG1 4.01Å; L59-V150 HydrophobicContact CD1-CG2 3.68Å; I146-V150 HydrophobicContact CG2-CG2 4.4Å; I146-V150 WeakPolarHBondContact O-CG2 3.26Å; I146-V150 PolarHBondContact O-N 2.86Å; Y147-V150 PolarHBondContact O-N 2.8Å; V150-L152 VanDerWaalsContact C-N 3.33Å; V150-L152 PolarHBondContact O-N 3.22Å; V150-L153 PolarHBondContact O-N 3.44Å; V150-A154 PolarHBondContact O-N 3.02Å
151Q98.6Very high98.3Very high21 Ų2137.2 Ų37.210%0.09819%0.193CC..Hα-helixtrans-62.1-41.7176.3-175.464.151.700111.1S56 Y147 A154 L155 V196S56-Q151 WeakPolarHBondContact OG-CA 3.34Å; S56-Q151 PolarHBondContact OG-OE1 2.78Å; Y147-Q151 HydrophobicContact CD2-CB 4.41Å; Y147-Q151 HydrophobicContact CE2-CB 4.07Å; Y147-Q151 HydrophobicContact CE2-CG 4.32Å; Y147-Q151 WeakPolarHBondContact O-CB 3.48Å; Y147-Q151 PolarHBondContact O-N 3.17Å; Q151-A154 PolarHBondContact O-N 2.97Å; Q151-L155 HydrophobicContact CG-CD1 4.04Å; Q151-L155 WeakPolarHBondContact O-CB 3.44Å; Q151-L155 WeakPolarHBondContact O-CG 3.41Å; Q151-L155 PolarHBondContact O-N 2.97Å; Q151-V196 HydrophobicContact CG-CG2 4.39Å
152L98.8Very high98.4Very high27 Ų2737.1 Ų37.114%0.14119%0.192CC..Hα-helixtrans-61.5-47.5175.2-179.856.6000111.4L148 A149 V150 A154 L155 L156 V196 V197 L200L148-L152 VanDerWaalsContact O-CB 3.31Å; L148-L152 WeakPolarHBondContact O-CB 3.48Å; L148-L152 PolarHBondContact O-N 3.34Å; A149-L152 PolarHBondContact O-N 2.67Å; V150-L152 VanDerWaalsContact C-N 3.33Å; V150-L152 PolarHBondContact O-N 3.22Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-A154 PolarHBondContact O-N 3.4Å; L152-L155 PolarHBondContact O-N 2.91Å; L152-L156 HydrophobicContact CD1-CD1 3.94Å; L152-L156 HydrophobicContact CD1-CD2 4.27Å; L152-L156 HydrophobicContact CD1-CG 3.84Å; L152-L156 HydrophobicContact CG-CD1 3.95Å; L152-L156 HydrophobicContact CG-CG 4.26Å; L152-L156 WeakPolarHBondContact O-CG 3.29Å; L152-L156 PolarHBondContact O-N 3.27Å; L152-V196 HydrophobicContact CB-CG1 3.83Å; L152-V196 HydrophobicContact CD1-CG1 4.43Å; L152-V197 HydrophobicContact CD1-CG2 3.4Å; L152-V197 VanDerWaalsContact CD1-CG2 3.4Å; L152-V197 HydrophobicContact CD2-CG2 3.92Å; L152-V197 HydrophobicContact CG-CG2 4.32Å; L152-L200 HydrophobicContact CD2-CD2 4.02Å
153L98.8Very high98.4Very high101 Ų10143.2 Ų43.253%0.52922%0.215SC..Hα-helixtrans-58.5-44.8177.9-177.662.5000111.6L52 A149 V150 L155 W157L52-L153 HydrophobicContact CD1-CD2 4.05Å; L52-L153 HydrophobicContact CD1-CG 4.48Å; L52-L153 HydrophobicContact CD2-CD2 4.26Å; L52-L153 HydrophobicContact CD2-CG 3.99Å; A149-L153 PolarHBondContact O-N 3.17Å; V150-L153 PolarHBondContact O-N 3.44Å; L153-L155 PolarHBondContact O-N 3.13Å; L153-W157 WeakPolarHBondContact O-CB 3.27Å; L153-W157 PolarHBondContact O-N 3.49Å
154A98.7Very high98.4Very high8 Ų842.8 Ų42.87%0.06621%0.213CC..Hα-helixtrans-62-42.8177.100000112.3L52 V150 Q151 L152 A158L52-A154 HydrophobicContact CD2-CB 4.05Å; L52-A154 HydrophobicContact CG-CB 4.07Å; V150-A154 PolarHBondContact O-N 3.02Å; Q151-A154 PolarHBondContact O-N 2.97Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-A154 PolarHBondContact O-N 3.4Å; A154-A158 VanDerWaalsContact O-CB 3.27Å; A154-A158 WeakPolarHBondContact O-CB 3.4Å; A154-A158 PolarHBondContact O-N 3.22Å
155L98.8Very high98.3Very high11 Ų1142.6 Ų42.66%0.05821%0.212CC..Hα-helixtrans-68-44.4179.2-70168.1000112.3Q151 L152 L153 W157 A158 L159 V189 L192 S193 V196Q151-L155 HydrophobicContact CG-CD1 4.04Å; Q151-L155 WeakPolarHBondContact O-CB 3.44Å; Q151-L155 WeakPolarHBondContact O-CG 3.41Å; Q151-L155 PolarHBondContact O-N 2.97Å; L152-L155 PolarHBondContact O-N 2.91Å; L153-L155 PolarHBondContact O-N 3.13Å; L155-W157 VanDerWaalsContact C-N 3.32Å; L155-W157 PolarHBondContact O-N 2.92Å; L155-A158 WeakPolarHBondContact O-CB 3.43Å; L155-A158 PolarHBondContact O-N 3.44Å; L155-L159 PolarHBondContact O-N 2.83Å; L155-V189 HydrophobicContact CB-CG1 4.08Å; L155-V189 HydrophobicContact CD2-CG1 3.8Å; L155-V189 WeakPolarHBondContact O-CG1 3.37Å; L155-L192 HydrophobicContact CD1-CB 4.1Å; L155-L192 HydrophobicContact CD2-CB 4.12Å; L155-L192 HydrophobicContact CD2-CD1 4.47Å; L155-S193 WeakPolarHBondContact CB-OG 3.49Å; L155-V196 HydrophobicContact CD1-CB 4.34Å; L155-V196 HydrophobicContact CD1-CG2 3.9Å
156L98.6Very high98.2Very high81 Ų8144.7 Ų44.742%0.42422%0.221SC..Hα-helixtrans-63.6-39.4177.9-67.7178.5000111.7L152 L159 Q160L152-L156 HydrophobicContact CD1-CD1 3.94Å; L152-L156 HydrophobicContact CD1-CD2 4.27Å; L152-L156 HydrophobicContact CD1-CG 3.84Å; L152-L156 HydrophobicContact CG-CD1 3.95Å; L152-L156 HydrophobicContact CG-CG 4.26Å; L152-L156 WeakPolarHBondContact O-CG 3.29Å; L152-L156 PolarHBondContact O-N 3.27Å; L156-L159 HydrophobicContact CD2-CD1 4.33Å; L156-L159 WeakPolarHBondContact O-CB 3.45Å; L156-L159 PolarHBondContact O-N 2.96Å; L156-Q160 PolarHBondContact O-N 3.38Å
157W98.6Very high98Very high63 Ų6344.3 Ų44.324%0.23922%0.218CC..Hα-helixtrans-68.8-40.4175.1-161.61000111.8Q45 V48 F49 L52 L153 L155 L159 Q160 I161Q45-W157 HydrophobicContact CG-CH2 4.49Å; Q45-W157 HydrophobicContact CG-CZ2 3.63Å; V48-W157 HydrophobicContact CB-CH2 4.08Å; V48-W157 HydrophobicContact CG1-CH2 3.64Å; V48-W157 HydrophobicContact CG1-CZ3 3.83Å; F49-W157 HydrophobicContact CB-CE3 4.5Å; F49-W157 HydrophobicContact CB-CH2 4.38Å; F49-W157 HydrophobicContact CB-CZ3 4.32Å; F49-W157 HydrophobicContact CD2-CB 4.41Å; F49-W157 AromaticContact CD2-CD2 3.84Å; F49-W157 HydrophobicContact CD2-CD2 3.84Å; F49-W157 AromaticContact CD2-CE3 3.86Å; F49-W157 HydrophobicContact CD2-CE3 3.86Å; F49-W157 HydrophobicContact CD2-CG 4.09Å; F49-W157 HydrophobicContact CD2-CZ3 4.48Å; F49-W157 HydrophobicContact CE2-CB 4.34Å; F49-W157 HydrophobicContact CE2-CG 4.42Å; L52-W157 HydrophobicContact CD2-CE3 3.63Å; L52-W157 HydrophobicContact CD2-CZ3 4.09Å; L153-W157 WeakPolarHBondContact O-CB 3.27Å; L153-W157 PolarHBondContact O-N 3.49Å; L155-W157 VanDerWaalsContact C-N 3.32Å; L155-W157 PolarHBondContact O-N 2.92Å; W157-L159 VanDerWaalsContact C-N 3.29Å; W157-L159 PolarHBondContact O-N 3.4Å; W157-Q160 PolarHBondContact O-N 2.95Å; W157-I161 HydrophobicContact CG-CD1 4.19Å; W157-I161 WeakPolarHBondContact O-CG1 3.41Å; W157-I161 PolarHBondContact O-N 3.47Å
158A98.6Very high97.7Very high6 Ų649.2 Ų49.25%0.0526%0.255CS..Hα-helixtrans-59.7-37.2173.400000112.5L27 F49 A154 L155 I161 A162 V189L27-A158 HydrophobicContact CD1-CB 3.86Å; F49-A158 HydrophobicContact CE2-CB 4.3Å; F49-A158 HydrophobicContact CZ-CB 4.17Å; A154-A158 VanDerWaalsContact O-CB 3.27Å; A154-A158 WeakPolarHBondContact O-CB 3.4Å; A154-A158 PolarHBondContact O-N 3.22Å; L155-A158 WeakPolarHBondContact O-CB 3.43Å; L155-A158 PolarHBondContact O-N 3.44Å; A158-I161 PolarHBondContact O-N 2.87Å; A158-A162 VanDerWaalsContact O-CB 3.29Å; A158-A162 WeakPolarHBondContact O-CB 3.37Å; A158-A162 PolarHBondContact O-N 3.46Å; A158-V189 HydrophobicContact CB-CG1 3.99Å; A158-V189 HydrophobicContact CB-CG2 4.49Å
159L98.1Very high97.4Very high40 Ų4050.5 Ų50.521%0.20926%0.264CS..Hα-helixtrans-61-47.2172.8-77.7174.4000112L155 L156 W157 A162 W163 L186 V189 S193L155-L159 PolarHBondContact O-N 2.83Å; L156-L159 HydrophobicContact CD2-CD1 4.33Å; L156-L159 WeakPolarHBondContact O-CB 3.45Å; L156-L159 PolarHBondContact O-N 2.96Å; W157-L159 VanDerWaalsContact C-N 3.29Å; W157-L159 PolarHBondContact O-N 3.4Å; L159-A162 PolarHBondContact O-N 2.88Å; L159-W163 WeakPolarHBondContact O-CB 3.19Å; L159-W163 PolarHBondContact O-N 3.26Å; L159-L186 HydrophobicContact CD2-CD1 3.72Å; L159-L186 HydrophobicContact CD2-CG 4.28Å; L159-V189 HydrophobicContact CD2-CB 4.01Å; L159-V189 HydrophobicContact CD2-CG1 3.87Å; L159-V189 HydrophobicContact CG-CB 4.36Å; L159-V189 HydrophobicContact CG-CG1 3.66Å; L159-S193 WeakPolarHBondContact CD1-OG 3.49Å
160Q98.1Very high97Very high144 Ų14452.2 Ų52.267%0.67329%0.287SS*.Hα-helixtrans-62.5-44.2177.8-73.1-161.3-30.600111.8L156 W157 W163 S164L156-Q160 PolarHBondContact O-N 3.38Å; W157-Q160 PolarHBondContact O-N 2.95Å; Q160-W163 PolarHBondContact O-N 3.47Å; Q160-S164 PolarHBondContact O-N 3.44Å
161I98.1Very high96.9Very high3 Ų355.2 Ų55.22%0.01531%0.305CS..Hα-helixtrans-63.4-44.6177.5-64.4164.5000110.5L27 T32 L34 F49 W157 A158 W163 S164L27-I161 HydrophobicContact CB-CG2 4.03Å; L27-I161 HydrophobicContact CD1-CB 4.44Å; L27-I161 HydrophobicContact CD1-CG2 4.29Å; L27-I161 HydrophobicContact CD2-CB 4.47Å; L27-I161 HydrophobicContact CD2-CG2 4.06Å; L27-I161 HydrophobicContact CG-CG2 4.34Å; T32-I161 WeakPolarHBondContact CB-O 3.33Å; T32-I161 HydrophobicContact CG2-CG2 4.04Å; T32-I161 WeakPolarHBondContact CG2-O 3.18Å; L34-I161 HydrophobicContact CB-CG2 3.82Å; L34-I161 HydrophobicContact CD1-CD1 4.14Å; L34-I161 HydrophobicContact CD2-CD1 4.35Å; L34-I161 HydrophobicContact CD2-CG2 4.44Å; F49-I161 HydrophobicContact CD1-CD1 4.28Å; F49-I161 HydrophobicContact CD2-CD1 3.67Å; F49-I161 HydrophobicContact CE1-CD1 4.34Å; F49-I161 HydrophobicContact CE2-CD1 3.76Å; F49-I161 HydrophobicContact CG-CD1 3.94Å; F49-I161 HydrophobicContact CZ-CD1 4.1Å; W157-I161 HydrophobicContact CG-CD1 4.19Å; W157-I161 WeakPolarHBondContact O-CG1 3.41Å; W157-I161 PolarHBondContact O-N 3.47Å; A158-I161 PolarHBondContact O-N 2.87Å; I161-W163 VanDerWaalsContact C-N 3.34Å; I161-W163 PolarHBondContact O-N 3.36Å; I161-S164 PolarHBondContact O-N 3Å; I161-S164 PolarHBondContact O-OG 3.38Å
162A97.9Very high96.7Very high1 Ų163.8 Ų63.81%0.00834%0.337CS..Hα-helixtrans-60.6-44.3177.100000111.6L27 A158 L159 S164 G165 F166 L186L27-A162 HydrophobicContact CD2-CB 3.81Å; A158-A162 VanDerWaalsContact O-CB 3.29Å; A158-A162 WeakPolarHBondContact O-CB 3.37Å; A158-A162 PolarHBondContact O-N 3.46Å; L159-A162 PolarHBondContact O-N 2.88Å; A162-S164 VanDerWaalsContact C-N 3.32Å; A162-S164 PolarHBondContact O-N 2.85Å; A162-G165 PolarHBondContact O-N 2.97Å; A162-F166 WeakPolarHBondContact O-CD2 3.44Å; A162-L186 HydrophobicContact CB-CB 4.38Å; A162-L186 HydrophobicContact CB-CD1 3.96Å
163W97.6Very high96.6Very high178 Ų17870.7 Ų70.767%0.67437%0.365SS*.Hα-helixtrans-61.1-38.8177.3-174.8-96.7000112.5L159 Q160 I161 G165 F166 L186L159-W163 WeakPolarHBondContact O-CB 3.19Å; L159-W163 PolarHBondContact O-N 3.26Å; Q160-W163 PolarHBondContact O-N 3.47Å; I161-W163 VanDerWaalsContact C-N 3.34Å; I161-W163 PolarHBondContact O-N 3.36Å; W163-G165 PolarHBondContact O-N 2.93Å; W163-G165 VanDerWaalsContact O-N 3.14Å; W163-F166 PolarHBondContact O-N 3.35Å; W163-L186 HydrophobicContact CE3-CD2 4.19Å; W163-L186 HydrophobicContact CZ3-CD2 4.49Å
164S97.3Very high96.4Very high26 Ų2670 Ų7018%0.18236%0.362CS..Hα-helixtrans-63.1-18.1179770000114.7D33 R36 Q160 I161 A162D33-S164 VanDerWaalsContact CG-CB 3.45Å; D33-S164 PolarHBondContact N-OG 3.34Å; D33-S164 WeakPolarHBondContact OD2-CB 3.28Å; R36-S164 PolarHBondContact NH2-O 3.14Å; Q160-S164 PolarHBondContact O-N 3.44Å; I161-S164 PolarHBondContact O-N 3Å; I161-S164 PolarHBondContact O-OG 3.38Å; A162-S164 VanDerWaalsContact C-N 3.32Å; A162-S164 PolarHBondContact O-N 2.85Å
165G96.1Very high96.3Very high1 Ų172.8 Ų72.81%0.0137%0.371CS..THydrogen-bonded Turntrans-92.60.9-178.100000114.9D31 A162 W163 H167 L182D31-G165 WeakPolarHBondContact O-CA 3.43Å; A162-G165 PolarHBondContact O-N 2.97Å; W163-G165 PolarHBondContact O-N 2.93Å; W163-G165 VanDerWaalsContact O-N 3.14Å; G165-H167 PolarHBondContact O-CE1 2.94Å; G165-H167 PolarHBondContact O-ND1 3.04Å; G165-L182 VanDerWaalsContact O-CD1 3.3Å; G165-L182 WeakPolarHBondContact O-CD1 3.39Å
166F96.4Very high96.1Very high50 Ų5075.9 Ų75.922%0.21939%0.387CS..  trans-74.4129.3-177.8-84.6-96000112.4A162 W163 W175 N179 L182 L183 L186A162-F166 WeakPolarHBondContact O-CD2 3.44Å; W163-F166 PolarHBondContact O-N 3.35Å; F166-W175 HydrophobicContact CD1-CH2 4.28Å; F166-W175 AromaticContact CD1-CZ2 3.54Å; F166-W175 HydrophobicContact CD1-CZ2 3.54Å; F166-W175 AromaticContact CE1-CH2 3.79Å; F166-W175 HydrophobicContact CE1-CH2 3.79Å; F166-W175 AromaticContact CE1-CZ2 3.52Å; F166-W175 HydrophobicContact CE1-CZ2 3.52Å; F166-N179 WeakPolarHBondContact CA-OD1 3.28Å; F166-N179 HydrophobicContact CD1-CB 3.84Å; F166-N179 HydrophobicContact CE1-CB 3.86Å; F166-L182 HydrophobicContact CE2-CB 4.28Å; F166-L182 HydrophobicContact CZ-CB 4.47Å; F166-L183 HydrophobicContact CE1-CB 4.32Å; F166-L183 HydrophobicContact CE1-CD1 4.44Å; F166-L183 HydrophobicContact CZ-CB 4.14Å; F166-L183 HydrophobicContact CZ-CD1 4.23Å; F166-L186 HydrophobicContact CE2-CD2 4.05Å; F166-L186 HydrophobicContact CZ-CD2 4.04Å
167H93.3Very high95.9Very high75 Ų7578.4 Ų78.435%0.34740%0.399SS..  trans-108.6139.9178.9-72.873.4000111.5D31 G165 W175 V178 N179D31-H167 IonicContact OD2-CE1 2.66Å; D31-H167 PolarHBondContact OD2-CE1 3.47Å; D31-H167 IonicContact OD2-NE2 3.69Å; D31-H167 PolarHBondContact OD2-NE2 3.33Å; D31-H167 VanDerWaalsContact OD2-NE2 3.12Å; G165-H167 PolarHBondContact O-CE1 2.94Å; G165-H167 PolarHBondContact O-ND1 3.04Å; H167-W175 PolarHBondContact O-NE1 3.46Å; H167-V178 HydrophobicContact CB-CG1 3.97Å; H167-N179 PolarHBondContact N-OD1 3.34Å; H167-N179 PolarHBondContact O-ND2 2.82Å
168S92.6Very high95.7Very high122 Ų12278.2 Ų78.285%0.85341%0.405SS*.  trans-71.8148.2168.8-170.20000110.5
169S92.7Very high95.6Very high34 Ų3477.9 Ų77.924%0.23840%0.402CS..  trans-148.8147.2179.5-69.50000110.5T171S169-T171 PolarHBondContact O-N 3.35Å
170G91.5Very high95.5Very high82 Ų8277.2 Ų77.285%0.84541%0.405SS*.SBendtrans-69.3-15.2-173.900000115.5
171T96.6Very high95.5Very high85 Ų8576.7 Ų76.752%0.52140%0.401SS..SBendtrans-139.1153.1174.867.80000111.2S169 K173 L174 W175S169-T171 PolarHBondContact O-N 3.35Å; T171-K173 VanDerWaalsContact C-N 3.32Å; T171-K173 PolarHBondContact O-N 2.62Å; T171-L174 PolarHBondContact O-N 3.29Å; T171-L174 WeakPolarHBondContact OG1-CB 3.22Å; T171-L174 PolarHBondContact OG1-N 2.91Å; T171-W175 WeakPolarHBondContact O-CB 3.37Å; T171-W175 PolarHBondContact O-N 3.49Å
172W93.9Very high95.4Very high202 Ų20276.7 Ų76.777%0.76540%0.401SS*.Hα-helixtrans-62.4-36.8179.6-158.1-57.5000112.7W175 L176W172-W175 WeakPolarHBondContact O-CB 3.37Å; W172-W175 PolarHBondContact O-N 3.42Å; W172-L176 PolarHBondContact O-N 2.94Å
173K96.4Very high95.4Very high172 Ų17279.1 Ų79.175%0.74841%0.414SS*.Hα-helixtrans-63.3-46.3177.7-69-177.1-179.31790111.5T171 W175 L176 I177T171-K173 VanDerWaalsContact C-N 3.32Å; T171-K173 PolarHBondContact O-N 2.62Å; K173-W175 VanDerWaalsContact C-N 3.35Å; K173-L176 PolarHBondContact O-N 3.31Å; K173-I177 WeakPolarHBondContact O-CG1 3.41Å; K173-I177 PolarHBondContact O-N 3.41Å; K173-I177 VanDerWaalsContact O-N 3.09Å
174L94.6Very high95.4Very high86 Ų8673.3 Ų73.345%0.4540%0.403SS..Hα-helixtrans-65.5-41.6177-17661.8000111.1T171 L176 I177 V178T171-L174 PolarHBondContact O-N 3.29Å; T171-L174 WeakPolarHBondContact OG1-CB 3.22Å; T171-L174 PolarHBondContact OG1-N 2.91Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L174-L176 PolarHBondContact O-N 3.42Å; L174-I177 PolarHBondContact O-N 2.92Å; L174-I177 VanDerWaalsContact O-N 3.15Å; L174-V178 HydrophobicContact CD1-CG2 4.36Å; L174-V178 WeakPolarHBondContact O-CG2 3.11Å; L174-V178 PolarHBondContact O-N 3.23Å
175W96.3Very high95.5Very high67 Ų6772.2 Ų72.225%0.25440%0.396SS..Hα-helixtrans-56.6-43.4175.4-174.587.6000112F166 H167 T171 W172 K173 V178 N179 L183F166-W175 HydrophobicContact CD1-CH2 4.28Å; F166-W175 AromaticContact CD1-CZ2 3.54Å; F166-W175 HydrophobicContact CD1-CZ2 3.54Å; F166-W175 AromaticContact CE1-CH2 3.79Å; F166-W175 HydrophobicContact CE1-CH2 3.79Å; F166-W175 AromaticContact CE1-CZ2 3.52Å; F166-W175 HydrophobicContact CE1-CZ2 3.52Å; H167-W175 PolarHBondContact O-NE1 3.46Å; T171-W175 WeakPolarHBondContact O-CB 3.37Å; T171-W175 PolarHBondContact O-N 3.49Å; W172-W175 WeakPolarHBondContact O-CB 3.37Å; W172-W175 PolarHBondContact O-N 3.42Å; K173-W175 VanDerWaalsContact C-N 3.35Å; W175-V178 PolarHBondContact O-N 3.35Å; W175-N179 HydrophobicContact CD2-CB 4.42Å; W175-N179 HydrophobicContact CZ2-CB 4.29Å; W175-N179 PolarHBondContact NE1-ND2 3.39Å; W175-N179 VanDerWaalsContact NE1-ND2 3.14Å; W175-N179 VanDerWaalsContact O-CB 3.3Å; W175-N179 WeakPolarHBondContact O-CB 3.49Å; W175-N179 PolarHBondContact O-N 2.85Å; W175-N179 PolarHBondContact O-ND2 3.45Å; W175-L183 HydrophobicContact CH2-CD1 4.45Å; W175-L183 HydrophobicContact CH2-CD2 4.12Å; W175-L183 HydrophobicContact CZ3-CD2 3.96Å
176L95.8Very high95.6Very high76 Ų7673.8 Ų73.840%0.39840%0.404SS..Hα-helixtrans-67.7-37.2176.9-78.7173.5000113W172 K173 L174 V178 G180 L183W172-L176 PolarHBondContact O-N 2.94Å; K173-L176 PolarHBondContact O-N 3.31Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L174-L176 PolarHBondContact O-N 3.42Å; L176-V178 VanDerWaalsContact C-N 3.32Å; L176-G180 WeakPolarHBondContact O-CA 3.32Å; L176-G180 PolarHBondContact O-N 3.37Å; L176-L183 HydrophobicContact CD2-CD2 4.1Å
177I94.3Very high95.6Very high133 Ų13374.8 Ų74.868%0.68242%0.416SS*.Hα-helixtrans-64.3-41.3177-69.4165.1000110.4K173 L174K173-I177 WeakPolarHBondContact O-CG1 3.41Å; K173-I177 PolarHBondContact O-N 3.41Å; K173-I177 VanDerWaalsContact O-N 3.09Å; L174-I177 PolarHBondContact O-N 2.92Å; L174-I177 VanDerWaalsContact O-N 3.15Å
178V93.7Very high95.9Very high59 Ų5974 Ų7436%0.35842%0.417SS..Hα-helixtrans-75.5-44-178.7176.30000111.8H167 L174 W175 L176H167-V178 HydrophobicContact CB-CG1 3.97Å; L174-V178 HydrophobicContact CD1-CG2 4.36Å; L174-V178 WeakPolarHBondContact O-CG2 3.11Å; L174-V178 PolarHBondContact O-N 3.23Å; W175-V178 PolarHBondContact O-N 3.35Å; L176-V178 VanDerWaalsContact C-N 3.32Å
179N96.5Very high96.2Very high0 Ų068.3 Ų68.30%038%0.377CS..Hα-helixtrans-101.5-4.5-171.1-59.8-68.4000114.2F166 H167 W175 F181 L182 L183F166-N179 WeakPolarHBondContact CA-OD1 3.28Å; F166-N179 HydrophobicContact CD1-CB 3.84Å; F166-N179 HydrophobicContact CE1-CB 3.86Å; H167-N179 PolarHBondContact N-OD1 3.34Å; H167-N179 PolarHBondContact O-ND2 2.82Å; W175-N179 HydrophobicContact CD2-CB 4.42Å; W175-N179 HydrophobicContact CZ2-CB 4.29Å; W175-N179 PolarHBondContact NE1-ND2 3.39Å; W175-N179 VanDerWaalsContact NE1-ND2 3.14Å; W175-N179 VanDerWaalsContact O-CB 3.3Å; W175-N179 WeakPolarHBondContact O-CB 3.49Å; W175-N179 PolarHBondContact O-N 2.85Å; W175-N179 PolarHBondContact O-ND2 3.45Å; N179-F181 PolarHBondContact O-N 2.82Å; N179-L182 CarbonylContact O-C 3.59Å; N179-L182 PolarHBondContact O-N 3.33Å; N179-L182 VanDerWaalsContact O-N 3.08Å; N179-L183 WeakPolarHBondContact O-CB 3.47Å; N179-L183 PolarHBondContact O-N 2.99Å
180G96.7Very high96.4Very high26 Ų2668 Ų6827%0.26838%0.379SS..Hα-helixtrans-56.8-43.4-16700000114.7L176 L183 A184L176-G180 WeakPolarHBondContact O-CA 3.32Å; L176-G180 PolarHBondContact O-N 3.37Å; G180-L183 PolarHBondContact O-N 2.81Å; G180-A184 WeakPolarHBondContact O-CB 3.19Å; G180-A184 PolarHBondContact O-N 3.28Å
181F97.2Very high96.8Very high132 Ų13268.6 Ų68.658%0.57937%0.366SS*.Hα-helixtrans-68.1-40.8176.9-70.3-72.4000112.6I26 H30 N179 L183 A184 A185I26-F181 HydrophobicContact CG2-CB 4.33Å; H30-F181 AromaticContact CE1-CD2 3.84Å; H30-F181 AromaticContact NE2-CD2 3.82Å; H30-F181 AromaticContact NE2-CG 3.88Å; N179-F181 PolarHBondContact O-N 2.82Å; F181-L183 VanDerWaalsContact C-N 3.34Å; F181-A184 PolarHBondContact O-N 2.72Å; F181-A185 WeakPolarHBondContact O-CB 3.3Å; F181-A185 PolarHBondContact O-N 3.47Å
182L97.2Very high96.8Very high3 Ų367.2 Ų67.22%0.01636%0.355CS..Hα-helixtrans-66.4-37.6175.4-73175.2000111.6I26 H30 T32 G165 F166 N179 A185 L186I26-L182 HydrophobicContact CG2-CD2 4.08Å; H30-L182 HydrophobicContact CB-CD1 3.99Å; H30-L182 HydrophobicContact CB-CD2 3.87Å; H30-L182 HydrophobicContact CB-CG 3.92Å; T32-L182 HydrophobicContact CG2-CD2 3.79Å; G165-L182 VanDerWaalsContact O-CD1 3.3Å; G165-L182 WeakPolarHBondContact O-CD1 3.39Å; F166-L182 HydrophobicContact CE2-CB 4.28Å; F166-L182 HydrophobicContact CZ-CB 4.47Å; N179-L182 CarbonylContact O-C 3.59Å; N179-L182 PolarHBondContact O-N 3.33Å; N179-L182 VanDerWaalsContact O-N 3.08Å; L182-A185 PolarHBondContact O-N 2.95Å; L182-L186 VanDerWaalsContact O-CB 3.23Å; L182-L186 WeakPolarHBondContact O-CB 3.34Å; L182-L186 PolarHBondContact O-N 2.98Å
183L97.6Very high97.1Very high53 Ų5357.9 Ų57.928%0.27732%0.321SS..Hα-helixtrans-63.5-46173.6-179.163.6000111.4F166 W175 L176 N179 G180 F181 A185 L186 C187F166-L183 HydrophobicContact CE1-CB 4.32Å; F166-L183 HydrophobicContact CE1-CD1 4.44Å; F166-L183 HydrophobicContact CZ-CB 4.14Å; F166-L183 HydrophobicContact CZ-CD1 4.23Å; W175-L183 HydrophobicContact CH2-CD1 4.45Å; W175-L183 HydrophobicContact CH2-CD2 4.12Å; W175-L183 HydrophobicContact CZ3-CD2 3.96Å; L176-L183 HydrophobicContact CD2-CD2 4.1Å; N179-L183 WeakPolarHBondContact O-CB 3.47Å; N179-L183 PolarHBondContact O-N 2.99Å; G180-L183 PolarHBondContact O-N 2.81Å; F181-L183 VanDerWaalsContact C-N 3.34Å; L183-A185 PolarHBondContact O-N 3.36Å; L183-L186 PolarHBondContact O-N 2.92Å; L183-C187 WeakPolarHBondContact O-CB 3.31Å; L183-C187 PolarHBondContact O-N 3.42Å; L183-C187 PolarHBondContact O-SG 3.15Å
184A97.8Very high97.2Very high55 Ų5554.9 Ų54.946%0.45531%0.312SS..Hα-helixtrans-60.6-45.3175.700000111.6G180 F181 C187 V188G180-A184 WeakPolarHBondContact O-CB 3.19Å; G180-A184 PolarHBondContact O-N 3.28Å; F181-A184 PolarHBondContact O-N 2.72Å; A184-C187 PolarHBondContact O-N 2.97Å; A184-V188 WeakPolarHBondContact O-CG2 3.44Å; A184-V188 PolarHBondContact O-N 3.49Å
185A97.8Very high97.3Very high4 Ų453.9 Ų53.93%0.03331%0.31CS..Hα-helixtrans-61.1-46.7175.200000111.7I26 F181 L182 L183 C187 V188 V189I26-A185 HydrophobicContact CD1-CB 4.47Å; I26-A185 HydrophobicContact CG2-CB 4.06Å; F181-A185 WeakPolarHBondContact O-CB 3.3Å; F181-A185 PolarHBondContact O-N 3.47Å; L182-A185 PolarHBondContact O-N 2.95Å; L183-A185 PolarHBondContact O-N 3.36Å; A185-C187 PolarHBondContact O-N 2.95Å; A185-V188 PolarHBondContact O-N 3.37Å; A185-V189 WeakPolarHBondContact O-CB 3.45Å; A185-V189 WeakPolarHBondContact O-CG2 3.39Å; A185-V189 PolarHBondContact O-N 3.31Å
186L97.9Very high97.4Very high33 Ų3351.4 Ų51.417%0.17330%0.302CS..Hα-helixtrans-58.1-46.3177.6-17281.9000111.5L159 A162 W163 F166 L182 L183 G190L159-L186 HydrophobicContact CD2-CD1 3.72Å; L159-L186 HydrophobicContact CD2-CG 4.28Å; A162-L186 HydrophobicContact CB-CB 4.38Å; A162-L186 HydrophobicContact CB-CD1 3.96Å; W163-L186 HydrophobicContact CE3-CD2 4.19Å; W163-L186 HydrophobicContact CZ3-CD2 4.49Å; F166-L186 HydrophobicContact CE2-CD2 4.05Å; F166-L186 HydrophobicContact CZ-CD2 4.04Å; L182-L186 VanDerWaalsContact O-CB 3.23Å; L182-L186 WeakPolarHBondContact O-CB 3.34Å; L182-L186 PolarHBondContact O-N 2.98Å; L183-L186 PolarHBondContact O-N 2.92Å; L186-G190 WeakPolarHBondContact O-CA 3.25Å; L186-G190 PolarHBondContact O-N 2.97Å
187C98.4Very high97.5Very high71 Ų7151 Ų5148%0.4830%0.302SS..Hα-helixtrans-62.8-47.3178.1-70.70000112L183 A184 A185 G190 V191L183-C187 WeakPolarHBondContact O-CB 3.31Å; L183-C187 PolarHBondContact O-N 3.42Å; L183-C187 PolarHBondContact O-SG 3.15Å; A184-C187 PolarHBondContact O-N 2.97Å; A185-C187 PolarHBondContact O-N 2.95Å; C187-G190 PolarHBondContact O-N 3.27Å; C187-V191 WeakPolarHBondContact O-CG2 3.44Å; C187-V191 PolarHBondContact O-N 3.19Å
188V98.3Very high97.7Very high59 Ų5949.6 Ų49.636%0.35830%0.295SS..Hα-helixtrans-63.6-50.8179.5171.40000110.7L19 I23 A184 A185 G190 V191 L192L19-V188 HydrophobicContact CD1-CG1 4.27Å; I23-V188 HydrophobicContact CD1-CG1 3.97Å; A184-V188 WeakPolarHBondContact O-CG2 3.44Å; A184-V188 PolarHBondContact O-N 3.49Å; A185-V188 PolarHBondContact O-N 3.37Å; V188-G190 VanDerWaalsContact C-N 3.27Å; V188-G190 PolarHBondContact O-N 3.06Å; V188-V191 PolarHBondContact O-N 2.96Å; V188-L192 HydrophobicContact CG1-CD1 3.88Å; V188-L192 HydrophobicContact CG1-CG 4.46Å; V188-L192 WeakPolarHBondContact O-CB 3.19Å; V188-L192 VanDerWaalsContact O-CG 3.26Å; V188-L192 WeakPolarHBondContact O-CG 3.3Å; V188-L192 PolarHBondContact O-N 3.4Å
189V98.3Very high97.9Very high2 Ų249.9 Ų49.91%0.01230%0.295CS..Hα-helixtrans-63.4-36179.3179.30000110.5I23 L155 A158 L159 A185 L192 S193I23-V189 HydrophobicContact CD1-CG2 3.96Å; I23-V189 HydrophobicContact CG2-CG2 3.74Å; L155-V189 HydrophobicContact CB-CG1 4.08Å; L155-V189 HydrophobicContact CD2-CG1 3.8Å; L155-V189 WeakPolarHBondContact O-CG1 3.37Å; A158-V189 HydrophobicContact CB-CG1 3.99Å; A158-V189 HydrophobicContact CB-CG2 4.49Å; L159-V189 HydrophobicContact CD2-CB 4.01Å; L159-V189 HydrophobicContact CD2-CG1 3.87Å; L159-V189 HydrophobicContact CG-CB 4.36Å; L159-V189 HydrophobicContact CG-CG1 3.66Å; A185-V189 WeakPolarHBondContact O-CB 3.45Å; A185-V189 WeakPolarHBondContact O-CG2 3.39Å; A185-V189 PolarHBondContact O-N 3.31Å; V189-L192 PolarHBondContact O-N 3.38Å; V189-S193 VanDerWaalsContact O-CB 3.3Å; V189-S193 WeakPolarHBondContact O-CB 3.26Å; V189-S193 PolarHBondContact O-N 2.88Å; V189-S193 PolarHBondContact O-OG 3.04Å
190G98.5Very high98Very high27 Ų2750.9 Ų50.928%0.27830%0.3SS..Hα-helixtrans-63.6-48.3178.100000112.9L186 C187 V188 S193 L194L186-G190 WeakPolarHBondContact O-CA 3.25Å; L186-G190 PolarHBondContact O-N 2.97Å; C187-G190 PolarHBondContact O-N 3.27Å; V188-G190 VanDerWaalsContact C-N 3.27Å; V188-G190 PolarHBondContact O-N 3.06Å; G190-S193 WeakPolarHBondContact O-CB 3.48Å; G190-S193 PolarHBondContact O-N 2.85Å; G190-L194 PolarHBondContact O-N 2.93Å
191V98.5Very high98.1Very high95 Ų9551.5 Ų51.558%0.57631%0.306SS*.Hα-helixtrans-62.4-45.4175.2172.30000110.8C187 V188 S193 L194 V195C187-V191 WeakPolarHBondContact O-CG2 3.44Å; C187-V191 PolarHBondContact O-N 3.19Å; V188-V191 PolarHBondContact O-N 2.96Å; V191-S193 VanDerWaalsContact C-N 3.31Å; V191-S193 PolarHBondContact O-N 3.41Å; V191-L194 PolarHBondContact O-N 3.42Å; V191-V195 WeakPolarHBondContact O-CG2 3.28Å; V191-V195 PolarHBondContact O-N 3.33Å
192L98.1Very high98.1Very high57 Ų5748.9 Ų48.930%0.29830%0.303SS..Hα-helixtrans-62.8-39.1178-68.3175.6000111.8L19 L155 V188 V189 V195 V196L19-L192 HydrophobicContact CD2-CD1 4.17Å; L155-L192 HydrophobicContact CD1-CB 4.1Å; L155-L192 HydrophobicContact CD2-CB 4.12Å; L155-L192 HydrophobicContact CD2-CD1 4.47Å; V188-L192 HydrophobicContact CG1-CD1 3.88Å; V188-L192 HydrophobicContact CG1-CG 4.46Å; V188-L192 WeakPolarHBondContact O-CB 3.19Å; V188-L192 VanDerWaalsContact O-CG 3.26Å; V188-L192 WeakPolarHBondContact O-CG 3.3Å; V188-L192 PolarHBondContact O-N 3.4Å; V189-L192 PolarHBondContact O-N 3.38Å; L192-V195 PolarHBondContact O-N 3.44Å; L192-V196 WeakPolarHBondContact O-CB 3.34Å; L192-V196 VanDerWaalsContact O-CG2 3.27Å; L192-V196 WeakPolarHBondContact O-CG2 3.28Å; L192-V196 PolarHBondContact O-N 3.37Å
193S98.4Very high98.2Very high6 Ų649.1 Ų49.14%0.04231%0.305CS..Hα-helixtrans-60.4-48.3176.2-60.10000110.8L155 L159 V189 G190 V191 V195 V196 V197L155-S193 WeakPolarHBondContact CB-OG 3.49Å; L159-S193 WeakPolarHBondContact CD1-OG 3.49Å; V189-S193 VanDerWaalsContact O-CB 3.3Å; V189-S193 WeakPolarHBondContact O-CB 3.26Å; V189-S193 PolarHBondContact O-N 2.88Å; V189-S193 PolarHBondContact O-OG 3.04Å; G190-S193 WeakPolarHBondContact O-CB 3.48Å; G190-S193 PolarHBondContact O-N 2.85Å; V191-S193 VanDerWaalsContact C-N 3.31Å; V191-S193 PolarHBondContact O-N 3.41Å; S193-V195 VanDerWaalsContact C-N 3.35Å; S193-V195 PolarHBondContact O-N 3.49Å; S193-V196 PolarHBondContact O-N 3.01Å; S193-V197 WeakPolarHBondContact O-CB 3.43Å; S193-V197 VanDerWaalsContact O-CG2 3.28Å; S193-V197 WeakPolarHBondContact O-CG2 3.44Å; S193-V197 PolarHBondContact O-N 3.32Å
194L98.4Very high98.2Very high109 Ų10949.9 Ų49.957%0.57131%0.308SS*.Hα-helixtrans-58.2-46.9177.6177.962.3000111.6G190 V191 V196 V197 L198G190-L194 PolarHBondContact O-N 2.93Å; V191-L194 PolarHBondContact O-N 3.42Å; L194-V196 PolarHBondContact O-N 3.43Å; L194-V197 PolarHBondContact O-N 3.35Å; L194-L198 HydrophobicContact CD1-CD1 4.09Å; L194-L198 HydrophobicContact CD1-CG 4.29Å; L194-L198 HydrophobicContact CG-CD1 4.17Å; L194-L198 VanDerWaalsContact O-CG 3.31Å; L194-L198 WeakPolarHBondContact O-CG 3.48Å; L194-L198 PolarHBondContact O-N 2.67Å; L194-L198 VanDerWaalsContact O-N 3.08Å
195V97.9Very high98.2Very high65 Ų6553.1 Ų53.139%0.39431%0.31SS..Hα-helixtrans-60.2-47178171.90000111.1V191 L192 S193 L198 L199V191-V195 WeakPolarHBondContact O-CG2 3.28Å; V191-V195 PolarHBondContact O-N 3.33Å; L192-V195 PolarHBondContact O-N 3.44Å; S193-V195 VanDerWaalsContact C-N 3.35Å; S193-V195 PolarHBondContact O-N 3.49Å; V195-L198 PolarHBondContact O-N 2.8Å; V195-L199 HydrophobicContact CG1-CD1 3.8Å; V195-L199 HydrophobicContact CG1-CG 4.37Å; V195-L199 WeakPolarHBondContact O-CB 3.49Å; V195-L199 VanDerWaalsContact O-CG 3.29Å; V195-L199 WeakPolarHBondContact O-CG 3.41Å; V195-L199 PolarHBondContact O-N 3.41Å
196V98.3Very high98.3Very high15 Ų1553.6 Ų53.69%0.09131%0.311CS..Hα-helixtrans-67.7-38.9-178.6175.10000111.8L148 Q151 L152 L155 L192 S193 L194 L199 L200L148-V196 HydrophobicContact CD2-CG1 4.31Å; L148-V196 WeakPolarHBondContact O-CG1 3.33Å; Q151-V196 HydrophobicContact CG-CG2 4.39Å; L152-V196 HydrophobicContact CB-CG1 3.83Å; L152-V196 HydrophobicContact CD1-CG1 4.43Å; L155-V196 HydrophobicContact CD1-CB 4.34Å; L155-V196 HydrophobicContact CD1-CG2 3.9Å; L192-V196 WeakPolarHBondContact O-CB 3.34Å; L192-V196 VanDerWaalsContact O-CG2 3.27Å; L192-V196 WeakPolarHBondContact O-CG2 3.28Å; L192-V196 PolarHBondContact O-N 3.37Å; S193-V196 PolarHBondContact O-N 3.01Å; L194-V196 PolarHBondContact O-N 3.43Å; V196-L199 PolarHBondContact O-N 2.87Å; V196-L200 VanDerWaalsContact O-CB 3.28Å; V196-L200 WeakPolarHBondContact O-CB 3.49Å; V196-L200 PolarHBondContact O-N 3.41Å
197V98.5Very high98.2Very high66 Ų6652.1 Ų52.140%0.430%0.304SS..Hα-helixtrans-58.5-49.8174.2168.30000110.7L152 S193 L194 L200 G201L152-V197 HydrophobicContact CD1-CG2 3.4Å; L152-V197 VanDerWaalsContact CD1-CG2 3.4Å; L152-V197 HydrophobicContact CD2-CG2 3.92Å; L152-V197 HydrophobicContact CG-CG2 4.32Å; S193-V197 WeakPolarHBondContact O-CB 3.43Å; S193-V197 VanDerWaalsContact O-CG2 3.28Å; S193-V197 WeakPolarHBondContact O-CG2 3.44Å; S193-V197 PolarHBondContact O-N 3.32Å; L194-V197 PolarHBondContact O-N 3.35Å; V197-L200 PolarHBondContact O-N 2.94Å; V197-G201 PolarHBondContact O-N 3.02Å
198L98.3Very high98.2Very high104 Ų10449.6 Ų49.655%0.54529%0.287SS..Hα-helixtrans-63.6-45.3-179.4-68.2172.7000111.3L194 V195 G201 C202L194-L198 HydrophobicContact CD1-CD1 4.09Å; L194-L198 HydrophobicContact CD1-CG 4.29Å; L194-L198 HydrophobicContact CG-CD1 4.17Å; L194-L198 VanDerWaalsContact O-CG 3.31Å; L194-L198 WeakPolarHBondContact O-CG 3.48Å; L194-L198 PolarHBondContact O-N 2.67Å; L194-L198 VanDerWaalsContact O-N 3.08Å; V195-L198 PolarHBondContact O-N 2.8Å; L198-G201 PolarHBondContact O-N 3.29Å; L198-C202 WeakPolarHBondContact O-CB 3.49Å; L198-C202 PolarHBondContact O-N 3.43Å; L198-C202 PolarHBondContact O-SG 3.04Å
199L97.6Very high98.1Very high65 Ų6548.7 Ų48.734%0.3428%0.28SS..Hα-helixtrans-59.6-50.4176.6-74.2172.7000111.6L148 V195 V196 G201 C202 H203L148-L199 HydrophobicContact CD1-CB 4.4Å; V195-L199 HydrophobicContact CG1-CD1 3.8Å; V195-L199 HydrophobicContact CG1-CG 4.37Å; V195-L199 WeakPolarHBondContact O-CB 3.49Å; V195-L199 VanDerWaalsContact O-CG 3.29Å; V195-L199 WeakPolarHBondContact O-CG 3.41Å; V195-L199 PolarHBondContact O-N 3.41Å; V196-L199 PolarHBondContact O-N 2.87Å; L199-G201 PolarHBondContact O-N 3.43Å; L199-C202 PolarHBondContact O-N 3.43Å; L199-H203 PolarHBondContact O-CD2 3.05Å; L199-H203 PolarHBondContact O-N 2.9Å
200L98.5Very high97.9Very high21 Ų2148.9 Ų48.911%0.1128%0.281CS..Hα-helixtrans-61.6-44.3179.9-178.459.8000111.2I145 L148 A149 L152 V196 V197 H203 L204I145-L200 HydrophobicContact CG2-CD1 3.96Å; L148-L200 HydrophobicContact CB-CB 4.42Å; L148-L200 HydrophobicContact CB-CD1 4.07Å; A149-L200 HydrophobicContact CB-CD2 4.34Å; L152-L200 HydrophobicContact CD2-CD2 4.02Å; V196-L200 VanDerWaalsContact O-CB 3.28Å; V196-L200 WeakPolarHBondContact O-CB 3.49Å; V196-L200 PolarHBondContact O-N 3.41Å; V197-L200 PolarHBondContact O-N 2.94Å; L200-H203 PolarHBondContact O-N 3.39Å; L200-L204 HydrophobicContact CD1-CD1 4.11Å; L200-L204 HydrophobicContact CD1-CG 4.09Å; L200-L204 HydrophobicContact CG-CD1 3.96Å; L200-L204 HydrophobicContact CG-CG 4.36Å; L200-L204 WeakPolarHBondContact O-CB 3.31Å; L200-L204 VanDerWaalsContact O-CG 3.26Å; L200-L204 WeakPolarHBondContact O-CG 3.31Å; L200-L204 PolarHBondContact O-N 2.71Å
201G98.4Very high97.8Very high39 Ų3948.1 Ų48.140%0.40227%0.271SS..Hα-helixtrans-59.8-48.317700000112.8V197 L198 L199 H203 L204 Y205V197-G201 PolarHBondContact O-N 3.02Å; L198-G201 PolarHBondContact O-N 3.29Å; L199-G201 PolarHBondContact O-N 3.43Å; G201-H203 PolarHBondContact O-N 2.81Å; G201-L204 PolarHBondContact O-N 3.46Å; G201-Y205 PolarHBondContact O-N 2.88Å
202C98.3Very high97.8Very high77 Ų7743.7 Ų43.752%0.5224%0.244SC..Hα-helixtrans-59.8-45.5176-71.60000111.9L198 L199 Y205 L206L198-C202 WeakPolarHBondContact O-CB 3.49Å; L198-C202 PolarHBondContact O-N 3.43Å; L198-C202 PolarHBondContact O-SG 3.04Å; L199-C202 PolarHBondContact O-N 3.43Å; C202-Y205 WeakPolarHBondContact O-CB 3.45Å; C202-Y205 PolarHBondContact O-N 3.37Å; C202-L206 WeakPolarHBondContact O-CG 3.4Å; C202-L206 PolarHBondContact O-N 2.9Å
203H98.3Very high97.7Very high9 Ų942.2 Ų42.24%0.04224%0.238CC..Hα-helixtrans-66.5-40.5179.2-85.2-80.3000112.7D126 H127 H141 F144 I145 L199 L200 G201 Y205 L206 I207D126-H203 IonicContact OD2-CE1 3.31Å; D126-H203 PolarHBondContact OD2-CE1 3.08Å; D126-H203 VanDerWaalsContact OD2-CE1 3.29Å; H127-H203 AromaticContact CE1-CE1 3.66Å; H127-H203 AromaticContact CE1-NE2 3.7Å; H127-H203 AromaticContact ND1-CE1 3.93Å; H141-H203 AromaticContact NE2-ND1 3.48Å; H141-H203 PolarHBondContact NE2-ND1 3.08Å; F144-H203 AromaticContact CE1-CD2 3.97Å; F144-H203 AromaticContact CE1-CE1 3.93Å; F144-H203 AromaticContact CE1-NE2 3.6Å; I145-H203 HydrophobicContact CD1-CB 3.56Å; L199-H203 PolarHBondContact O-CD2 3.05Å; L199-H203 PolarHBondContact O-N 2.9Å; L200-H203 PolarHBondContact O-N 3.39Å; G201-H203 PolarHBondContact O-N 2.81Å; H203-Y205 VanDerWaalsContact C-N 3.31Å; H203-Y205 PolarHBondContact O-N 3.2Å; H203-L206 PolarHBondContact O-N 3.3Å; H203-I207 WeakPolarHBondContact O-CB 3.46Å; H203-I207 WeakPolarHBondContact O-CD1 3.35Å; H203-I207 WeakPolarHBondContact O-CG1 3.28Å; H203-I207 PolarHBondContact O-N 3.05Å
204L98.4Very high97.6Very high68 Ų6843.1 Ų43.136%0.35624%0.24SC..Hα-helixtrans-62.6-39.9175.7-72.1173.8000111.5I145 L200 G201 I207 S208 F247I145-L204 HydrophobicContact CG2-CD2 4.39Å; L200-L204 HydrophobicContact CD1-CD1 4.11Å; L200-L204 HydrophobicContact CD1-CG 4.09Å; L200-L204 HydrophobicContact CG-CD1 3.96Å; L200-L204 HydrophobicContact CG-CG 4.36Å; L200-L204 WeakPolarHBondContact O-CB 3.31Å; L200-L204 VanDerWaalsContact O-CG 3.26Å; L200-L204 WeakPolarHBondContact O-CG 3.31Å; L200-L204 PolarHBondContact O-N 2.71Å; G201-L204 PolarHBondContact O-N 3.46Å; L204-I207 PolarHBondContact O-N 2.94Å; L204-S208 WeakPolarHBondContact O-CB 3.5Å; L204-S208 PolarHBondContact O-N 3.41Å; L204-F247 HydrophobicContact CD2-CZ 4.23Å
205Y98Very high97.5Very high124 Ų12438.1 Ų38.149%0.48621%0.214SC..Hα-helixtrans-59.8-51.3171.7169.6-105.9000111.5G201 C202 H203 I207 S208 I209 F216G201-Y205 PolarHBondContact O-N 2.88Å; C202-Y205 WeakPolarHBondContact O-CB 3.45Å; C202-Y205 PolarHBondContact O-N 3.37Å; H203-Y205 VanDerWaalsContact C-N 3.31Å; H203-Y205 PolarHBondContact O-N 3.2Å; Y205-I207 VanDerWaalsContact C-N 3.31Å; Y205-I207 PolarHBondContact O-N 2.89Å; Y205-S208 WeakPolarHBondContact O-CB 3.42Å; Y205-S208 PolarHBondContact O-N 3.07Å; Y205-S208 PolarHBondContact O-OG 3.05Å; Y205-I209 HydrophobicContact CE1-CD1 3.97Å; Y205-I209 HydrophobicContact CE2-CG2 4.48Å; Y205-I209 PolarHBondContact O-N 3.24Å; Y205-F216 HydrophobicContact CE1-CE2 4.25Å
206L97.9Very high97.4Very high13 Ų1340.9 Ų40.97%0.06822%0.221CC..Hα-helixtrans-60.7-39.4179.5-69.4175.6000112.7C202 H203 S208 I209 N210 S211 T213 F216C202-L206 WeakPolarHBondContact O-CG 3.4Å; C202-L206 PolarHBondContact O-N 2.9Å; H203-L206 PolarHBondContact O-N 3.3Å; L206-S208 VanDerWaalsContact C-N 3.33Å; L206-I209 CarbonylContact O-C 3.18Å; L206-I209 WeakPolarHBondContact O-CG1 3.33Å; L206-I209 PolarHBondContact O-N 3.42Å; L206-N210 PolarHBondContact O-N 3.35Å; L206-N210 VanDerWaalsContact O-N 3.13Å; L206-S211 CarbonylContact C-O 3.57Å; L206-S211 PolarHBondContact O-N 3.46Å; L206-T213 WeakPolarHBondContact CD1-OG1 3.27Å; L206-F216 HydrophobicContact CD2-CB 3.7Å; L206-F216 HydrophobicContact CD2-CD1 4.44Å; L206-F216 HydrophobicContact CD2-CD2 3.81Å; L206-F216 HydrophobicContact CD2-CG 3.73Å
207I97.6Very high97.2Very high2 Ų246.9 Ų46.91%0.0125%0.25CC..Hα-helixtrans-62.3-42.7173.8-69.3160.3000110.5I145 H203 L204 Y205 I209 N210 N242 L243 F246I145-I207 HydrophobicContact CD1-CD1 3.89Å; I145-I207 HydrophobicContact CG1-CD1 3.74Å; H203-I207 WeakPolarHBondContact O-CB 3.46Å; H203-I207 WeakPolarHBondContact O-CD1 3.35Å; H203-I207 WeakPolarHBondContact O-CG1 3.28Å; H203-I207 PolarHBondContact O-N 3.05Å; L204-I207 PolarHBondContact O-N 2.94Å; Y205-I207 VanDerWaalsContact C-N 3.31Å; Y205-I207 PolarHBondContact O-N 2.89Å; I207-I209 PolarHBondContact O-N 3.42Å; I207-I209 VanDerWaalsContact O-N 3.17Å; I207-N210 PolarHBondContact O-N 3.15Å; I207-N242 WeakPolarHBondContact O-CB 3.2Å; I207-L243 HydrophobicContact CG2-CD2 3.97Å; I207-F246 HydrophobicContact CD1-CD1 3.85Å; I207-F246 HydrophobicContact CD1-CD2 4.41Å; I207-F246 HydrophobicContact CD1-CE1 3.52Å; I207-F246 HydrophobicContact CD1-CE2 4.1Å; I207-F246 HydrophobicContact CD1-CG 4.28Å; I207-F246 HydrophobicContact CD1-CZ 3.65Å; I207-F246 HydrophobicContact CG1-CD1 4.22Å; I207-F246 HydrophobicContact CG1-CD2 4.03Å; I207-F246 HydrophobicContact CG1-CE1 4.19Å; I207-F246 HydrophobicContact CG1-CE2 3.99Å; I207-F246 HydrophobicContact CG1-CG 4.14Å; I207-F246 HydrophobicContact CG1-CZ 4.06Å; I207-F246 HydrophobicContact CG2-CB 3.57Å; I207-F246 HydrophobicContact CG2-CD1 3.85Å; I207-F246 HydrophobicContact CG2-CD2 4.12Å; I207-F246 HydrophobicContact CG2-CG 3.56Å
208S97.1Very high96.9Very high19 Ų1944 Ų4413%0.13323%0.233CC..Hα-helixtrans-61.5-24.5-178.778.80000113.7L204 Y205 L206 N242L204-S208 WeakPolarHBondContact O-CB 3.5Å; L204-S208 PolarHBondContact O-N 3.41Å; Y205-S208 WeakPolarHBondContact O-CB 3.42Å; Y205-S208 PolarHBondContact O-N 3.07Å; Y205-S208 PolarHBondContact O-OG 3.05Å; L206-S208 VanDerWaalsContact C-N 3.33Å; S208-N242 PolarHBondContact O-ND2 3.33Å
209I95.7Very high96.5Very high39 Ų3941.6 Ų41.620%0.222%0.216CC..THydrogen-bonded Turntrans-108.312.9175.663.9171000112.6Y205 L206 I207 S211 N233Y205-I209 HydrophobicContact CE1-CD1 3.97Å; Y205-I209 HydrophobicContact CE2-CG2 4.48Å; Y205-I209 PolarHBondContact O-N 3.24Å; L206-I209 CarbonylContact O-C 3.18Å; L206-I209 WeakPolarHBondContact O-CG1 3.33Å; L206-I209 PolarHBondContact O-N 3.42Å; I207-I209 PolarHBondContact O-N 3.42Å; I207-I209 VanDerWaalsContact O-N 3.17Å; I209-S211 PolarHBondContact O-N 3.36Å; I209-S211 VanDerWaalsContact O-N 3.1Å; I209-N233 PolarHBondContact O-ND2 2.79Å
210N95.8Very high96Very high6 Ų644.8 Ų44.83%0.03223%0.229CC..THydrogen-bonded Turntrans48.435.2-175.9-154-18000115.4R111 R124 L206 I207 F235 N242R111-N210 PolarHBondContact NH1-OD1 3.47Å; R111-N210 VanDerWaalsContact NH1-OD1 3.08Å; R111-N210 PolarHBondContact NH2-O 3.37Å; R124-N210 PolarHBondContact NH2-OD1 3.29Å; L206-N210 PolarHBondContact O-N 3.35Å; L206-N210 VanDerWaalsContact O-N 3.13Å; I207-N210 PolarHBondContact O-N 3.15Å; N210-F235 HydrophobicContact CB-CB 4.22Å; N210-F235 VanDerWaalsContact CB-O 3.31Å; N210-F235 WeakPolarHBondContact CB-O 3.44Å; N210-F235 PolarHBondContact ND2-O 3.17Å; N210-N242 HydrophobicContact CB-CB 4.41Å
211S95.9Very high95.6Very high12 Ų1250.5 Ų50.58%0.08425%0.249CC..  trans-101.6147.2174.9-166.50000110.1L206 I209L206-S211 CarbonylContact C-O 3.57Å; L206-S211 PolarHBondContact O-N 3.46Å; I209-S211 PolarHBondContact O-N 3.36Å; I209-S211 VanDerWaalsContact O-N 3.1Å
212T97.3Very high95.1Very high1 Ų148.6 Ų48.61%0.00623%0.23CC..  trans-89.2158.4164.856.90000110.2R124 D126 W214 E215 F216R124-T212 HydrophobicContact CG-CG2 3.92Å; D126-T212 VanDerWaalsContact OD1-CA 3.25Å; D126-T212 WeakPolarHBondContact OD1-CA 3.33Å; D126-T212 WeakPolarHBondContact OD1-CB 3.29Å; T212-W214 PolarHBondContact O-N 2.93Å; T212-E215 WeakPolarHBondContact CB-OE2 3.48Å; T212-E215 PolarHBondContact N-OE2 3.5Å; T212-E215 PolarHBondContact O-N 3.45Å; T212-E215 VanDerWaalsContact O-N 3.08Å; T212-E215 WeakPolarHBondContact OG1-CB 3.32Å; T212-E215 WeakPolarHBondContact OG1-CG 3.23Å; T212-E215 PolarHBondContact OG1-N 3.05Å; T212-E215 VanDerWaalsContact OG1-N 3.12Å; T212-E215 PolarHBondContact OG1-OE2 3.22Å; T212-F216 PolarHBondContact O-N 3.06Å
213T97.6Very high94.6Very high27 Ų2748.5 Ų48.517%0.16623%0.227CC..Hα-helixtrans-54.7-40.7172.9-54.10000111.2D126 L206 F216 M217D126-T213 PolarHBondContact OD1-N 3.06Å; D126-T213 PolarHBondContact OD1-OG1 2.84Å; D126-T213 VanDerWaalsContact OD2-CB 3.31Å; D126-T213 WeakPolarHBondContact OD2-CB 3.25Å; D126-T213 PolarHBondContact OD2-OG1 3.06Å; L206-T213 WeakPolarHBondContact CD1-OG1 3.27Å; T213-F216 PolarHBondContact O-N 3.45Å; T213-M217 HydrophobicContact CG2-CG 4.24Å; T213-M217 HydrophobicContact CG2-SD 3.75Å; T213-M217 WeakPolarHBondContact O-CB 3.35Å; T213-M217 VanDerWaalsContact O-CG 3.31Å; T213-M217 WeakPolarHBondContact O-CG 3.12Å; T213-M217 PolarHBondContact O-N 2.85Å
214W96.7Very high94Very high24 Ų2449.1 Ų49.19%0.09123%0.229CC..Hα-helixtrans-63.3-44.2176173.563.5000112.9K113 F125 D126 T212 S218 I222 Y224K113-W214 HydrophobicContact CD-CD2 3.87Å; K113-W214 VanDerWaalsContact CD-CE2 3.47Å; K113-W214 HydrophobicContact CD-CG 3.91Å; K113-W214 HydrophobicContact CD-CZ2 4Å; K113-W214 VanDerWaalsContact CD-NE1 3.29Å; F125-W214 HydrophobicContact CD1-CB 3.8Å; F125-W214 AromaticContact CD1-CG 3.98Å; F125-W214 HydrophobicContact CD1-CG 3.98Å; F125-W214 HydrophobicContact CE1-CB 4.05Å; F125-W214 HydrophobicContact CE1-CG 4.26Å; D126-W214 WeakPolarHBondContact O-CB 3.18Å; D126-W214 PolarHBondContact O-N 3.25Å; T212-W214 PolarHBondContact O-N 2.93Å; W214-S218 WeakPolarHBondContact O-CA 3.43Å; W214-S218 WeakPolarHBondContact O-CB 3.17Å; W214-S218 PolarHBondContact O-N 3.4Å; W214-S218 PolarHBondContact O-OG 3.38Å; W214-I222 HydrophobicContact CD2-CD1 3.83Å; W214-I222 HydrophobicContact CE3-CD1 3.7Å; W214-I222 HydrophobicContact CH2-CB 4.26Å; W214-I222 HydrophobicContact CH2-CD1 3.51Å; W214-I222 HydrophobicContact CH2-CG1 3.49Å; W214-I222 VanDerWaalsContact CH2-CG1 3.49Å; W214-I222 HydrophobicContact CH2-CG2 3.92Å; W214-I222 HydrophobicContact CZ2-CD1 3.62Å; W214-I222 HydrophobicContact CZ2-CG1 3.44Å; W214-I222 VanDerWaalsContact CZ2-CG1 3.44Å; W214-I222 HydrophobicContact CZ3-CD1 3.54Å; W214-I222 HydrophobicContact CZ3-CG1 4.07Å; W214-I222 HydrophobicContact CZ3-CG2 4.31Å; W214-Y224 HydrophobicContact CZ3-CE1 4.43Å; W214-Y224 WeakPolarHBondContact CZ3-OH 3.45Å
215E95.6Very high93.5Very high5 Ų546.1 Ų46.12%0.02321%0.213CC..Hα-helixtrans-62-45.5177-75.8160155.900111.8R111 T212 R219 I222 Y224 L225R111-E215 WeakPolarHBondContact CG-OE1 3.46Å; R111-E215 IonicContact CZ-OE1 3.17Å; R111-E215 IonicContact CZ-OE2 3.6Å; R111-E215 IonicContact NE-OE1 2.86Å; R111-E215 PolarHBondContact NE-OE1 2.89Å; R111-E215 IonicContact NE-OE2 2.82Å; R111-E215 PolarHBondContact NE-OE2 2.9Å; R111-E215 IonicContact NH2-OE1 3.64Å; R111-E215 IonicContact NH2-OE2 3.62Å; R111-E215 PolarHBondContact NH2-OE2 3.27Å; T212-E215 WeakPolarHBondContact CB-OE2 3.48Å; T212-E215 PolarHBondContact N-OE2 3.5Å; T212-E215 PolarHBondContact O-N 3.45Å; T212-E215 VanDerWaalsContact O-N 3.08Å; T212-E215 WeakPolarHBondContact OG1-CB 3.32Å; T212-E215 WeakPolarHBondContact OG1-CG 3.23Å; T212-E215 PolarHBondContact OG1-N 3.05Å; T212-E215 VanDerWaalsContact OG1-N 3.12Å; T212-E215 PolarHBondContact OG1-OE2 3.22Å; E215-R219 WeakPolarHBondContact O-CA 3.43Å; E215-R219 WeakPolarHBondContact O-CB 3.46Å; E215-R219 PolarHBondContact O-N 3.25Å; E215-I222 HydrophobicContact CB-CD1 4.17Å; E215-I222 HydrophobicContact CG-CD1 3.79Å; E215-Y224 PolarHBondContact OE1-OH 2.9Å; E215-L225 HydrophobicContact CB-CD1 4.27Å; E215-L225 HydrophobicContact CG-CD1 4.2Å
216F94.9Very high92.9Very high123 Ų12347.2 Ų47.254%0.53922%0.221SC..Hα-helixtrans-61.5-50.6177.3-172.6-96.9000112.2Y205 L206 T212 T213Y205-F216 HydrophobicContact CE1-CE2 4.25Å; L206-F216 HydrophobicContact CD2-CB 3.7Å; L206-F216 HydrophobicContact CD2-CD1 4.44Å; L206-F216 HydrophobicContact CD2-CD2 3.81Å; L206-F216 HydrophobicContact CD2-CG 3.73Å; T212-F216 PolarHBondContact O-N 3.06Å; T213-F216 PolarHBondContact O-N 3.45Å
217M94.4Very high92Very high141 Ų14150.5 Ų50.570%0.69525%0.245SC*.Hα-helixtrans-79.3-23-174.7-65.8-174.775.100114.4T213T213-M217 HydrophobicContact CG2-CG 4.24Å; T213-M217 HydrophobicContact CG2-SD 3.75Å; T213-M217 WeakPolarHBondContact O-CB 3.35Å; T213-M217 VanDerWaalsContact O-CG 3.31Å; T213-M217 WeakPolarHBondContact O-CG 3.12Å; T213-M217 PolarHBondContact O-N 2.85Å
218S92.9Very high91.2Very high6 Ų651.8 Ų51.84%0.04225%0.25CC..Hα-helixtrans-124.916.6-169.3-51.90000113.8W214 H220 R221 I222W214-S218 WeakPolarHBondContact O-CA 3.43Å; W214-S218 WeakPolarHBondContact O-CB 3.17Å; W214-S218 PolarHBondContact O-N 3.4Å; W214-S218 PolarHBondContact O-OG 3.38Å; S218-H220 VanDerWaalsContact C-N 3.26Å; S218-H220 PolarHBondContact O-N 3.08Å; S218-H220 VanDerWaalsContact O-N 3.07Å; S218-R221 WeakPolarHBondContact O-CB 3.25Å; S218-R221 PolarHBondContact O-N 3.37Å; S218-R221 PolarHBondContact OG-NH2 3.15Å; S218-I222 WeakPolarHBondContact O-CG1 3.3Å
219R90.1Very high90.5Very high53 Ų5353.5 Ų53.520%0.226%0.262CS..G310 helixtrans-39.8-50.8-174.7-171.4177.5179.295.86.6113.7E215 R221 I222 L225 S229 D230 E232E215-R219 WeakPolarHBondContact O-CA 3.43Å; E215-R219 WeakPolarHBondContact O-CB 3.46Å; E215-R219 PolarHBondContact O-N 3.25Å; R219-R221 PolarHBondContact O-N 2.82Å; R219-I222 WeakPolarHBondContact O-CB 3.42Å; R219-I222 PolarHBondContact O-N 3.09Å; R219-L225 HydrophobicContact CG-CB 4.25Å; R219-L225 HydrophobicContact CG-CD1 4Å; R219-S229 PolarHBondContact NH2-O 2.94Å; R219-D230 IonicContact NE-OD1 3.44Å; R219-E232 PolarHBondContact NH1-O 2.8Å; R219-E232 VanDerWaalsContact NH1-O 3.14Å; R219-E232 PolarHBondContact NH2-O 3.32Å
220H87.6Confident89.6Confident131 Ų13158.1 Ų58.161%0.60629%0.287SS*.G310 helixtrans-57.5-22-179.865.5-86.1000115.1S218 K226S218-H220 VanDerWaalsContact C-N 3.26Å; S218-H220 PolarHBondContact O-N 3.08Å; S218-H220 VanDerWaalsContact O-N 3.07Å; H220-K226 VanDerWaalsContact O-CE 3.23Å; H220-K226 WeakPolarHBondContact O-CE 3.44Å
221R88.5Confident88.7Confident141 Ų14166.6 Ų66.653%0.53233%0.326SS..G310 helixtrans-91.2-3.7178-54-167.5-73.9-129.31.6113.4R99 S218 R219R99-R221 PolarHBondContact NH2-O 2.75Å; S218-R221 WeakPolarHBondContact O-CB 3.25Å; S218-R221 PolarHBondContact O-N 3.37Å; S218-R221 PolarHBondContact OG-NH2 3.15Å; R219-R221 PolarHBondContact O-N 2.82Å
222I89.3Confident88.2Confident0 Ų069.8 Ų69.80%034%0.34CS..  trans-102.8111.5-169.6-55.6-176.5000109.4W214 E215 S218 R219 Y224 L225 K226W214-I222 HydrophobicContact CD2-CD1 3.83Å; W214-I222 HydrophobicContact CE3-CD1 3.7Å; W214-I222 HydrophobicContact CH2-CB 4.26Å; W214-I222 HydrophobicContact CH2-CD1 3.51Å; W214-I222 HydrophobicContact CH2-CG1 3.49Å; W214-I222 VanDerWaalsContact CH2-CG1 3.49Å; W214-I222 HydrophobicContact CH2-CG2 3.92Å; W214-I222 HydrophobicContact CZ2-CD1 3.62Å; W214-I222 HydrophobicContact CZ2-CG1 3.44Å; W214-I222 VanDerWaalsContact CZ2-CG1 3.44Å; W214-I222 HydrophobicContact CZ3-CD1 3.54Å; W214-I222 HydrophobicContact CZ3-CG1 4.07Å; W214-I222 HydrophobicContact CZ3-CG2 4.31Å; E215-I222 HydrophobicContact CB-CD1 4.17Å; E215-I222 HydrophobicContact CG-CD1 3.79Å; S218-I222 WeakPolarHBondContact O-CG1 3.3Å; R219-I222 WeakPolarHBondContact O-CB 3.42Å; R219-I222 PolarHBondContact O-N 3.09Å; I222-Y224 HydrophobicContact CG2-CD1 3.63Å; I222-Y224 HydrophobicContact CG2-CD2 3.87Å; I222-Y224 HydrophobicContact CG2-CE1 3.28Å; I222-Y224 HydrophobicContact CG2-CE2 3.52Å; I222-Y224 HydrophobicContact CG2-CG 3.91Å; I222-Y224 PolarHBondContact O-N 3.24Å; I222-L225 HydrophobicContact CB-CB 4.27Å; I222-L225 HydrophobicContact CB-CD1 4.08Å; I222-L225 HydrophobicContact CB-CG 4.25Å; I222-L225 HydrophobicContact CD1-CD1 3.99Å; I222-L225 HydrophobicContact CG2-CB 4.25Å; I222-L225 HydrophobicContact CG2-CD1 3.97Å; I222-L225 HydrophobicContact CG2-CG 3.86Å; I222-L225 PolarHBondContact O-N 2.96Å; I222-L225 VanDerWaalsContact O-N 3.17Å; I222-K226 WeakPolarHBondContact O-CG 3.22Å; I222-K226 PolarHBondContact O-N 3.43Å
223T86.4Confident87.8Confident75 Ų7571.4 Ų71.446%0.4635%0.349SS..G310 helixtrans-62.2-39.8-171.434.20000113.1R99 L225 K226R99-T223 PolarHBondContact NH2-OG1 2.96Å; T223-L225 VanDerWaalsContact C-N 3.28Å; T223-L225 PolarHBondContact O-N 2.79Å; T223-K226 PolarHBondContact O-N 3.35Å
224Y85.4Confident87.5Confident21 Ų2170.6 Ų70.68%0.08234%0.344CS..G310 helixtrans-75.4-13.1-179.960.9-103.1000114M110 R111 W214 E215 I222 S227 F235 Y259M110-Y224 HydrophobicContact CG-CD1 4.08Å; M110-Y224 HydrophobicContact CG-CE1 4.25Å; M110-Y224 HydrophobicContact CG-CG 4.31Å; R111-Y224 WeakPolarHBondContact CA-OH 3.24Å; W214-Y224 HydrophobicContact CZ3-CE1 4.43Å; W214-Y224 WeakPolarHBondContact CZ3-OH 3.45Å; E215-Y224 PolarHBondContact OE1-OH 2.9Å; I222-Y224 HydrophobicContact CG2-CD1 3.63Å; I222-Y224 HydrophobicContact CG2-CD2 3.87Å; I222-Y224 HydrophobicContact CG2-CE1 3.28Å; I222-Y224 HydrophobicContact CG2-CE2 3.52Å; I222-Y224 HydrophobicContact CG2-CG 3.91Å; I222-Y224 PolarHBondContact O-N 3.24Å; Y224-S227 PolarHBondContact O-OG 2.92Å; Y224-F235 HydrophobicContact CD2-CE2 4.1Å; Y224-F235 HydrophobicContact CD2-CZ 4.16Å; Y224-F235 AromaticContact CE2-CE2 3.64Å; Y224-F235 HydrophobicContact CE2-CE2 3.64Å; Y224-F235 AromaticContact CE2-CZ 3.95Å; Y224-F235 HydrophobicContact CE2-CZ 3.95Å; Y224-Y259 HydrophobicContact CD2-CE2 4.42Å; Y224-Y259 VanDerWaalsContact O-CE2 3.29Å; Y224-Y259 WeakPolarHBondContact O-CE2 3.48Å; Y224-Y259 PolarHBondContact O-OH 3.4Å
225L88Confident87.3Confident5 Ų569.4 Ų69.43%0.02634%0.339CS..G310 helixtrans-94.7-14.6174.5-64.8178.9000112.7E215 R219 I222 T223 S227 Y228 P234 F235E215-L225 HydrophobicContact CB-CD1 4.27Å; E215-L225 HydrophobicContact CG-CD1 4.2Å; R219-L225 HydrophobicContact CG-CB 4.25Å; R219-L225 HydrophobicContact CG-CD1 4Å; I222-L225 HydrophobicContact CB-CB 4.27Å; I222-L225 HydrophobicContact CB-CD1 4.08Å; I222-L225 HydrophobicContact CB-CG 4.25Å; I222-L225 HydrophobicContact CD1-CD1 3.99Å; I222-L225 HydrophobicContact CG2-CB 4.25Å; I222-L225 HydrophobicContact CG2-CD1 3.97Å; I222-L225 HydrophobicContact CG2-CG 3.86Å; I222-L225 PolarHBondContact O-N 2.96Å; I222-L225 VanDerWaalsContact O-N 3.17Å; T223-L225 VanDerWaalsContact C-N 3.28Å; T223-L225 PolarHBondContact O-N 2.79Å; L225-S227 PolarHBondContact O-N 3.45Å; L225-Y228 PolarHBondContact O-N 3.36Å; L225-P234 HydrophobicContact CD2-CG 3.98Å; L225-F235 HydrophobicContact CD2-CE2 4.44Å
226K85.3Confident87.2Confident147 Ų14772.5 Ų72.564%0.63936%0.356SS*.THydrogen-bonded Turntrans-65.9-21.5179.1-72.2-173.4177.9-167.20113.8H220 I222 T223 Y228H220-K226 VanDerWaalsContact O-CE 3.23Å; H220-K226 WeakPolarHBondContact O-CE 3.44Å; I222-K226 WeakPolarHBondContact O-CG 3.22Å; I222-K226 PolarHBondContact O-N 3.43Å; T223-K226 PolarHBondContact O-N 3.35Å; K226-Y228 VanDerWaalsContact C-N 3.3Å
227S79.1Confident87Confident82 Ų8272.1 Ų72.157%0.57335%0.351SS*.THydrogen-bonded Turntrans-82-8.1178.656.90000113.5Y224 L225 Y259Y224-S227 PolarHBondContact O-OG 2.92Å; L225-S227 PolarHBondContact O-N 3.45Å; S227-Y259 PolarHBondContact OG-OH 3.17Å; S227-Y259 VanDerWaalsContact OG-OH 3.06Å
228Y81.8Confident87Confident29 Ų2967 Ų6711%0.11434%0.335CS..SBendtrans-108.1151.9-178.5-75.5-89.8000110.2L225 K226 E232 P234 Y259 S263L225-Y228 PolarHBondContact O-N 3.36Å; K226-Y228 VanDerWaalsContact C-N 3.3Å; Y228-E232 HydrophobicContact CD1-CB 3.87Å; Y228-E232 WeakPolarHBondContact CD1-OE2 3.5Å; Y228-E232 HydrophobicContact CG-CB 4.4Å; Y228-P234 HydrophobicContact CD2-CB 4.45Å; Y228-P234 HydrophobicContact CD2-CG 4.07Å; Y228-P234 HydrophobicContact CE1-CB 3.93Å; Y228-P234 HydrophobicContact CE1-CG 4.47Å; Y228-P234 HydrophobicContact CE2-CB 3.86Å; Y228-P234 HydrophobicContact CE2-CG 3.87Å; Y228-P234 HydrophobicContact CG-CG 4.48Å; Y228-Y259 HydrophobicContact CD2-CE2 4.31Å; Y228-Y259 HydrophobicContact CE2-CD2 4.44Å; Y228-Y259 AromaticContact CE2-CE2 3.52Å; Y228-Y259 HydrophobicContact CE2-CE2 3.52Å; Y228-Y259 AromaticContact CE2-CZ 3.65Å; Y228-S263 WeakPolarHBondContact OH-CB 3.46Å
229S81.6Confident87.1Confident55 Ų5571.8 Ų71.839%0.38536%0.359SS..  trans-63.4162.5171.173.10000110.7R219 E231 E232R219-S229 PolarHBondContact NH2-O 2.94Å; S229-E231 PolarHBondContact O-N 2.77Å; S229-E232 PolarHBondContact N-OE2 3.42Å; S229-E232 VanDerWaalsContact N-OE2 3.13Å; S229-E232 PolarHBondContact O-N 3.06Å; S229-E232 VanDerWaalsContact O-N 3.14Å; S229-E232 VanDerWaalsContact OG-CG 3.25Å; S229-E232 WeakPolarHBondContact OG-CG 3.14Å; S229-E232 PolarHBondContact OG-OE1 3.49Å; S229-E232 PolarHBondContact OG-OE2 2.74Å
230D77.3Confident87.3Confident137 Ų13776.3 Ų76.373%0.73339%0.386SS*.THydrogen-bonded Turntrans-62.5-26.8-176.1-79.1-28.5000113.2R219R219-D230 IonicContact NE-OD1 3.44Å
231E78.1Confident87.6Confident183 Ų18373.1 Ų73.186%0.85538%0.378SS*.THydrogen-bonded Turntrans-84.8-14.4179.4-56.8-58.4160.100113.5S229S229-E231 PolarHBondContact O-N 2.77Å
232E84.6Confident87.9Confident80 Ų8066.5 Ų66.537%0.37435%0.353SS..  trans-89.4136-175.1-79.3159-153.300112.2R219 Y228 S229R219-E232 PolarHBondContact NH1-O 2.8Å; R219-E232 VanDerWaalsContact NH1-O 3.14Å; R219-E232 PolarHBondContact NH2-O 3.32Å; Y228-E232 HydrophobicContact CD1-CB 3.87Å; Y228-E232 WeakPolarHBondContact CD1-OE2 3.5Å; Y228-E232 HydrophobicContact CG-CB 4.4Å; S229-E232 PolarHBondContact N-OE2 3.42Å; S229-E232 VanDerWaalsContact N-OE2 3.13Å; S229-E232 PolarHBondContact O-N 3.06Å; S229-E232 VanDerWaalsContact O-N 3.14Å; S229-E232 VanDerWaalsContact OG-CG 3.25Å; S229-E232 WeakPolarHBondContact OG-CG 3.14Å; S229-E232 PolarHBondContact OG-OE1 3.49Å; S229-E232 PolarHBondContact OG-OE2 2.74Å
233N89.2Confident88.2Confident35 Ų3569 Ų6919%0.18737%0.366CS..  trans-124.1110.2168.2-176.1-0.1000110.6I209 F235 D236I209-N233 PolarHBondContact O-ND2 2.79Å; N233-F235 PolarHBondContact O-N 2.67Å; N233-F235 WeakPolarHBondContact OD1-CD2 3.15Å; N233-F235 PolarHBondContact OD1-N 2.63Å; N233-D236 HydrophobicContact CB-CB 3.93Å; N233-D236 PolarHBondContact O-N 3.26Å; N233-D236 VanDerWaalsContact O-N 3.08Å
234P90.1Very high88.6Confident9 Ų973.5 Ų73.56%0.05838%0.375CS..THydrogen-bonded Turntrans-64.5-12.6-178.424.8-33.9000114.6L225 Y228 Y259L225-P234 HydrophobicContact CD2-CG 3.98Å; Y228-P234 HydrophobicContact CD2-CB 4.45Å; Y228-P234 HydrophobicContact CD2-CG 4.07Å; Y228-P234 HydrophobicContact CE1-CB 3.93Å; Y228-P234 HydrophobicContact CE1-CG 4.47Å; Y228-P234 HydrophobicContact CE2-CB 3.86Å; Y228-P234 HydrophobicContact CE2-CG 3.87Å; Y228-P234 HydrophobicContact CG-CG 4.48Å; P234-Y259 HydrophobicContact CB-CD2 3.93Å; P234-Y259 HydrophobicContact CB-CE2 4.22Å; P234-Y259 HydrophobicContact CG-CD2 3.88Å; P234-Y259 HydrophobicContact CG-CE2 3.95Å
235F92.5Very high88.9Confident0 Ų073.6 Ų73.60%038%0.377CS..THydrogen-bonded Turntrans-99.6-8.9178.9-51.5-69.1000113.3M110 R111 N210 Y224 L225 N233 W255 V258 Y259M110-F235 HydrophobicContact CG-CZ 4.33Å; M110-F235 HydrophobicContact SD-CE1 4.09Å; M110-F235 HydrophobicContact SD-CZ 3.88Å; R111-F235 HydrophobicContact CG-CE1 4.33Å; R111-F235 HydrophobicContact CG-CE2 4.15Å; R111-F235 HydrophobicContact CG-CZ 3.85Å; N210-F235 HydrophobicContact CB-CB 4.22Å; N210-F235 VanDerWaalsContact CB-O 3.31Å; N210-F235 WeakPolarHBondContact CB-O 3.44Å; N210-F235 PolarHBondContact ND2-O 3.17Å; Y224-F235 HydrophobicContact CD2-CE2 4.1Å; Y224-F235 HydrophobicContact CD2-CZ 4.16Å; Y224-F235 AromaticContact CE2-CE2 3.64Å; Y224-F235 HydrophobicContact CE2-CE2 3.64Å; Y224-F235 AromaticContact CE2-CZ 3.95Å; Y224-F235 HydrophobicContact CE2-CZ 3.95Å; L225-F235 HydrophobicContact CD2-CE2 4.44Å; N233-F235 PolarHBondContact O-N 2.67Å; N233-F235 WeakPolarHBondContact OD1-CD2 3.15Å; N233-F235 PolarHBondContact OD1-N 2.63Å; F235-W255 AromaticContact CD1-CE3 3.81Å; F235-W255 HydrophobicContact CD1-CE3 3.81Å; F235-W255 HydrophobicContact CD1-CZ3 4.28Å; F235-W255 HydrophobicContact CE1-CB 4.47Å; F235-W255 HydrophobicContact CE1-CE3 4.16Å; F235-V258 HydrophobicContact CD1-CG1 4.12Å; F235-Y259 HydrophobicContact CE1-CD2 4.29Å; F235-Y259 AromaticContact CZ-CD2 3.98Å; F235-Y259 HydrophobicContact CZ-CD2 3.98Å
236D93.2Very high89.2Confident70 Ų7074 Ų7437%0.37438%0.378SS..  trans-76.3124.2-180-172.2-0.4000110.5N233 G238 N242N233-D236 HydrophobicContact CB-CB 3.93Å; N233-D236 PolarHBondContact O-N 3.26Å; N233-D236 VanDerWaalsContact O-N 3.08Å; D236-G238 PolarHBondContact OD1-N 3.45Å; D236-N242 PolarHBondContact OD1-ND2 2.91Å
237R91.6Very high89.5Confident114 Ų11471 Ų7143%0.4337%0.365SS..  trans-116.217176.4-63.5-168.6-76.2179.1-12.9112.8C241 N242 D245R237-C241 HydrophobicContact CB-CB 3.82Å; R237-C241 VanDerWaalsContact O-CB 3.3Å; R237-C241 WeakPolarHBondContact O-CB 3.42Å; R237-C241 PolarHBondContact O-SG 2.88Å; R237-C241 VanDerWaalsContact O-SG 3.42Å; R237-N242 PolarHBondContact N-OD1 3.38Å; R237-D245 IonicContact CZ-OD1 3.12Å; R237-D245 IonicContact CZ-OD2 2.94Å; R237-D245 IonicContact NE-OD2 3.12Å; R237-D245 PolarHBondContact NE-OD2 3.14Å; R237-D245 VanDerWaalsContact NE-OD2 3.17Å; R237-D245 IonicContact NH2-OD1 3Å; R237-D245 PolarHBondContact NH2-OD1 2.97Å; R237-D245 IonicContact NH2-OD2 2.77Å; R237-D245 PolarHBondContact NH2-OD2 2.88Å
238G93.6Very high90Very high35 Ų3570.1 Ų70.136%0.36136%0.358SS..  trans87.8153.4-171.400000112.7D236 L240 C241 N242D236-G238 PolarHBondContact OD1-N 3.45Å; G238-L240 PolarHBondContact O-N 2.93Å; G238-C241 PolarHBondContact O-N 3.17Å; G238-N242 WeakPolarHBondContact O-CB 3.46Å; G238-N242 PolarHBondContact O-N 3.26Å; G238-N242 PolarHBondContact O-ND2 3.43Å
239I95.3Very high90Very high105 Ų10572.4 Ų72.454%0.53837%0.371SS..Hα-helixtrans-51.6-51.5-169.3-64170.5000112.7N242 L243I239-N242 PolarHBondContact O-N 3.14Å; I239-L243 HydrophobicContact CG2-CD1 3.76Å; I239-L243 HydrophobicContact CG2-CG 4.46Å; I239-L243 WeakPolarHBondContact O-CB 3.44Å; I239-L243 VanDerWaalsContact O-CG 3.25Å; I239-L243 WeakPolarHBondContact O-CG 3.49Å; I239-L243 PolarHBondContact O-N 2.98Å
240L94.9Very high89.4Confident148 Ų14875.2 Ų75.278%0.77539%0.389SS*.Hα-helixtrans-65.6-43.2-176.2-64.2177.8000112.1G238 W244G238-L240 PolarHBondContact O-N 2.93Å; L240-W244 WeakPolarHBondContact O-CB 3.34Å; L240-W244 PolarHBondContact O-N 3.2Å
241C94.1Very high89.4Confident65 Ų6579 Ų7944%0.43939%0.394SS..Hα-helixtrans-63.1-46.8177-63.80000110.7R237 G238 L243 W244 D245R237-C241 HydrophobicContact CB-CB 3.82Å; R237-C241 VanDerWaalsContact O-CB 3.3Å; R237-C241 WeakPolarHBondContact O-CB 3.42Å; R237-C241 PolarHBondContact O-SG 2.88Å; R237-C241 VanDerWaalsContact O-SG 3.42Å; G238-C241 PolarHBondContact O-N 3.17Å; C241-L243 PolarHBondContact O-N 3.37Å; C241-W244 PolarHBondContact O-N 3.47Å; C241-D245 WeakPolarHBondContact O-CB 3.3Å; C241-D245 PolarHBondContact O-N 2.96Å
242N95.4Very high89.4Confident2 Ų274.1 Ų74.11%0.01138%0.376CS..Hα-helixtrans-62.5-42.5-179.6-66.3-21.3000112.2I207 S208 N210 D236 R237 G238 I239 F246I207-N242 WeakPolarHBondContact O-CB 3.2Å; S208-N242 PolarHBondContact O-ND2 3.33Å; N210-N242 HydrophobicContact CB-CB 4.41Å; D236-N242 PolarHBondContact OD1-ND2 2.91Å; R237-N242 PolarHBondContact N-OD1 3.38Å; G238-N242 WeakPolarHBondContact O-CB 3.46Å; G238-N242 PolarHBondContact O-N 3.26Å; G238-N242 PolarHBondContact O-ND2 3.43Å; I239-N242 PolarHBondContact O-N 3.14Å; N242-F246 VanDerWaalsContact O-CB 3.27Å; N242-F246 WeakPolarHBondContact O-CB 3.33Å; N242-F246 PolarHBondContact O-N 3.44Å
243L95.2Very high89.4Confident52 Ų5272 Ų7227%0.27237%0.369SS..Hα-helixtrans-64-45.5174.9-70.7169.5000110.9I207 I239 C241 F246 F247I207-L243 HydrophobicContact CG2-CD2 3.97Å; I239-L243 HydrophobicContact CG2-CD1 3.76Å; I239-L243 HydrophobicContact CG2-CG 4.46Å; I239-L243 WeakPolarHBondContact O-CB 3.44Å; I239-L243 VanDerWaalsContact O-CG 3.25Å; I239-L243 WeakPolarHBondContact O-CG 3.49Å; I239-L243 PolarHBondContact O-N 2.98Å; C241-L243 PolarHBondContact O-N 3.37Å; L243-F246 PolarHBondContact O-N 2.89Å; L243-F247 HydrophobicContact CD2-CD2 4.36Å; L243-F247 HydrophobicContact CD2-CE2 3.88Å; L243-F247 VanDerWaalsContact O-CD2 3.28Å; L243-F247 WeakPolarHBondContact O-CD2 3.34Å; L243-F247 PolarHBondContact O-N 3.38Å
244W93.8Very high89.2Confident170 Ų17073.8 Ų73.864%0.64438%0.38SS*.Hα-helixtrans-60.5-47.3177179.9-92.7000112L240 C241 F246 F247 C248L240-W244 WeakPolarHBondContact O-CB 3.34Å; L240-W244 PolarHBondContact O-N 3.2Å; C241-W244 PolarHBondContact O-N 3.47Å; W244-F246 VanDerWaalsContact C-N 3.28Å; W244-F246 PolarHBondContact O-N 3.35Å; W244-F247 PolarHBondContact O-N 3.01Å; W244-C248 HydrophobicContact CD2-CB 3.94Å; W244-C248 HydrophobicContact CE3-CB 4.3Å; W244-C248 HydrophobicContact CG-CB 4.37Å; W244-C248 HydrophobicContact CH2-CB 4.45Å; W244-C248 HydrophobicContact CZ2-CB 4.1Å; W244-C248 WeakPolarHBondContact O-CA 3.38Å; W244-C248 WeakPolarHBondContact O-CB 3.3Å; W244-C248 PolarHBondContact O-N 3.31Å
245D91.9Very high89Confident23 Ų2374.1 Ų74.112%0.12338%0.381CS..Hα-helixtrans-59.9-42.3176.5-66.4-48.3000111.5R142 R237 C241 M249R142-D245 PolarHBondContact NH2-O 2.94Å; R237-D245 IonicContact CZ-OD1 3.12Å; R237-D245 IonicContact CZ-OD2 2.94Å; R237-D245 IonicContact NE-OD2 3.12Å; R237-D245 PolarHBondContact NE-OD2 3.14Å; R237-D245 VanDerWaalsContact NE-OD2 3.17Å; R237-D245 IonicContact NH2-OD1 3Å; R237-D245 PolarHBondContact NH2-OD1 2.97Å; R237-D245 IonicContact NH2-OD2 2.77Å; R237-D245 PolarHBondContact NH2-OD2 2.88Å; C241-D245 WeakPolarHBondContact O-CB 3.3Å; C241-D245 PolarHBondContact O-N 2.96Å; D245-M249 WeakPolarHBondContact O-CB 3.34Å
246F93.8Very high88.6Confident12 Ų1275.8 Ų75.85%0.05339%0.388CS..Hα-helixtrans-71.9-40.5-178.2-173.2-90.3000112.4H141 R142 I145 I207 N242 L243 W244H141-F246 HydrophobicContact CB-CE2 4.01Å; H141-F246 HydrophobicContact CB-CZ 3.99Å; H141-F246 AromaticContact CD2-CZ 3.68Å; H141-F246 AromaticContact CG-CE2 3.68Å; H141-F246 AromaticContact CG-CZ 3.71Å; H141-F246 AromaticContact ND1-CE2 3.85Å; R142-F246 VanDerWaalsContact CD-O 3.28Å; R142-F246 WeakPolarHBondContact CD-O 3.41Å; R142-F246 HydrophobicContact CG-CD1 4.36Å; R142-F246 HydrophobicContact CG-CE1 3.93Å; R142-F246 HydrophobicContact CG-CZ 4.06Å; R142-F246 WeakPolarHBondContact CG-O 3.27Å; R142-F246 PolarHBondContact NE-O 3.49Å; R142-F246 PolarHBondContact NH2-O 2.94Å; I145-F246 HydrophobicContact CB-CE1 4.46Å; I145-F246 HydrophobicContact CG1-CE1 3.84Å; I145-F246 HydrophobicContact CG1-CZ 3.89Å; I207-F246 HydrophobicContact CD1-CD1 3.85Å; I207-F246 HydrophobicContact CD1-CD2 4.41Å; I207-F246 HydrophobicContact CD1-CE1 3.52Å; I207-F246 HydrophobicContact CD1-CE2 4.1Å; I207-F246 HydrophobicContact CD1-CG 4.28Å; I207-F246 HydrophobicContact CD1-CZ 3.65Å; I207-F246 HydrophobicContact CG1-CD1 4.22Å; I207-F246 HydrophobicContact CG1-CD2 4.03Å; I207-F246 HydrophobicContact CG1-CE1 4.19Å; I207-F246 HydrophobicContact CG1-CE2 3.99Å; I207-F246 HydrophobicContact CG1-CG 4.14Å; I207-F246 HydrophobicContact CG1-CZ 4.06Å; I207-F246 HydrophobicContact CG2-CB 3.57Å; I207-F246 HydrophobicContact CG2-CD1 3.85Å; I207-F246 HydrophobicContact CG2-CD2 4.12Å; I207-F246 HydrophobicContact CG2-CG 3.56Å; N242-F246 VanDerWaalsContact O-CB 3.27Å; N242-F246 WeakPolarHBondContact O-CB 3.33Å; N242-F246 PolarHBondContact O-N 3.44Å; L243-F246 PolarHBondContact O-N 2.89Å; W244-F246 VanDerWaalsContact C-N 3.28Å; W244-F246 PolarHBondContact O-N 3.35Å
247F93.2Very high88Confident84 Ų8479 Ų7937%0.36840%0.401SS..Hα-helixtrans-92.3-31.7-175.7-72.2-71.8000113.7I145 L204 L243 W244I145-F247 HydrophobicContact CG2-CE1 4.1Å; I145-F247 HydrophobicContact CG2-CZ 4.09Å; L204-F247 HydrophobicContact CD2-CZ 4.23Å; L243-F247 HydrophobicContact CD2-CD2 4.36Å; L243-F247 HydrophobicContact CD2-CE2 3.88Å; L243-F247 VanDerWaalsContact O-CD2 3.28Å; L243-F247 WeakPolarHBondContact O-CD2 3.34Å; L243-F247 PolarHBondContact O-N 3.38Å; W244-F247 PolarHBondContact O-N 3.01Å
248C88.9Confident87.5Confident64 Ų6474.9 Ų74.943%0.43239%0.389SS..Hα-helixtrans-102.8-28.9-169.4-570000114.3W244 C250W244-C248 HydrophobicContact CD2-CB 3.94Å; W244-C248 HydrophobicContact CE3-CB 4.3Å; W244-C248 HydrophobicContact CG-CB 4.37Å; W244-C248 HydrophobicContact CH2-CB 4.45Å; W244-C248 HydrophobicContact CZ2-CB 4.1Å; W244-C248 WeakPolarHBondContact O-CA 3.38Å; W244-C248 WeakPolarHBondContact O-CB 3.3Å; W244-C248 PolarHBondContact O-N 3.31Å; C248-C250 PolarHBondContact O-N 2.94Å
249M80.8Confident87Confident78 Ų7873.8 Ų73.838%0.38437%0.374SS..  trans-89.486.8-171.4-74.8-127.4-65.500114.3R142 D245 R251R142-M249 PolarHBondContact NH1-O 2.95Å; R142-M249 VanDerWaalsContact NH2-C 3.3Å; R142-M249 PolarHBondContact NH2-O 3.37Å; D245-M249 WeakPolarHBondContact O-CB 3.34Å; M249-R251 PolarHBondContact O-N 3.18Å
250C69.6Low86.2Confident113 Ų11371.2 Ų71.276%0.76436%0.357SS*.  trans-76.651-176.5-61.80000115.2R142 C248R142-C250 PolarHBondContact NH1-SG 3.38Å; C248-C250 PolarHBondContact O-N 2.94Å
251R77.6Confident85.1Confident218 Ų21872.6 Ų72.682%0.82335%0.352SS*.SBendtrans-132.8147.3178.6-61.4-176.2-177.5-165.80.4110.9M249M249-R251 PolarHBondContact O-N 3.18Å
252T79Confident83.5Confident80 Ų8070.2 Ų70.249%0.49134%0.339SS..  trans-63.9133.9168.548.10000109.5
253V82.8Confident81.8Confident35 Ų3571.8 Ų71.821%0.21235%0.35CS..  trans-100136.4-176.2-179.80000109.3R123 E138 W255 V258R123-V253 PolarHBondContact NH2-O 3.29Å; E138-V253 PolarHBondContact OE1-N 3.21Å; V253-W255 HydrophobicContact CB-CD2 4.18Å; V253-W255 HydrophobicContact CB-CH2 4.35Å; V253-W255 HydrophobicContact CB-CZ2 3.75Å; V253-W255 HydrophobicContact CG1-CD2 3.9Å; V253-W255 HydrophobicContact CG1-CE3 4.07Å; V253-W255 HydrophobicContact CG1-CG 4.39Å; V253-W255 HydrophobicContact CG1-CH2 4.23Å; V253-W255 HydrophobicContact CG1-CZ2 4.05Å; V253-W255 HydrophobicContact CG1-CZ3 4.23Å; V253-W255 HydrophobicContact CG2-CH2 4.45Å; V253-W255 HydrophobicContact CG2-CZ2 4.04Å; V253-W255 PolarHBondContact O-N 3.43Å; V253-V258 HydrophobicContact CG1-CG2 3.73Å
254V85.1Confident80.1Confident72 Ų7273.9 Ų73.944%0.43636%0.358SS..  trans-84.189.6168.4-174.10000107E256 Q257V254-E256 HydrophobicContact CG1-CB 4.34Å; V254-E256 WeakPolarHBondContact CG1-OE2 3.41Å; V254-E256 PolarHBondContact O-N 3.45Å; V254-Q257 HydrophobicContact CB-CG 4.24Å; V254-Q257 HydrophobicContact CG1-CG 3.9Å; V254-Q257 PolarHBondContact O-N 3.47Å; V254-Q257 VanDerWaalsContact O-N 3.07Å
255W85.8Confident78.2Confident17 Ų1772.1 Ų72.16%0.06436%0.362CS..Hα-helixtrans-62.6-25.1-171.6-69.1101.2000113.2M110 R111 R124 E138 F235 V253 V258 Y259M110-W255 HydrophobicContact CB-CB 4.09Å; M110-W255 HydrophobicContact CG-CB 4.35Å; R111-W255 VanDerWaalsContact CD-CD2 3.46Å; R111-W255 HydrophobicContact CG-CB 4.17Å; R111-W255 HydrophobicContact CG-CD2 4.45Å; R111-W255 HydrophobicContact CG-CG 4.12Å; R111-W255 VanDerWaalsContact NH1-CE3 3.3Å; R124-W255 HydrophobicContact CG-CZ2 4.21Å; E138-W255 PolarHBondContact OE1-NE1 3Å; F235-W255 AromaticContact CD1-CE3 3.81Å; F235-W255 HydrophobicContact CD1-CE3 3.81Å; F235-W255 HydrophobicContact CD1-CZ3 4.28Å; F235-W255 HydrophobicContact CE1-CB 4.47Å; F235-W255 HydrophobicContact CE1-CE3 4.16Å; V253-W255 HydrophobicContact CB-CD2 4.18Å; V253-W255 HydrophobicContact CB-CH2 4.35Å; V253-W255 HydrophobicContact CB-CZ2 3.75Å; V253-W255 HydrophobicContact CG1-CD2 3.9Å; V253-W255 HydrophobicContact CG1-CE3 4.07Å; V253-W255 HydrophobicContact CG1-CG 4.39Å; V253-W255 HydrophobicContact CG1-CH2 4.23Å; V253-W255 HydrophobicContact CG1-CZ2 4.05Å; V253-W255 HydrophobicContact CG1-CZ3 4.23Å; V253-W255 HydrophobicContact CG2-CH2 4.45Å; V253-W255 HydrophobicContact CG2-CZ2 4.04Å; V253-W255 PolarHBondContact O-N 3.43Å; W255-V258 HydrophobicContact CE3-CB 4.45Å; W255-V258 HydrophobicContact CE3-CG2 4.42Å; W255-V258 PolarHBondContact O-N 3.16Å; W255-Y259 WeakPolarHBondContact O-CB 3.49Å; W255-Y259 PolarHBondContact O-N 3.28Å
256E84.1Confident76.1Confident34 Ų3477.5 Ų77.516%0.15939%0.386CS..Hα-helixtrans-57.4-47.7172-62.779.3-177.300111L98 M110 V254 V258 Y259 Y260L98-E256 HydrophobicContact CD2-CG 4.28Å; M110-E256 HydrophobicContact CB-CG 3.92Å; M110-E256 WeakPolarHBondContact CB-OE1 3.48Å; M110-E256 HydrophobicContact CE-CG 4.46Å; M110-E256 PolarHBondContact N-OE1 3.49Å; V254-E256 HydrophobicContact CG1-CB 4.34Å; V254-E256 WeakPolarHBondContact CG1-OE2 3.41Å; V254-E256 PolarHBondContact O-N 3.45Å; E256-V258 VanDerWaalsContact C-N 3.31Å; E256-V258 PolarHBondContact O-N 3.29Å; E256-Y259 WeakPolarHBondContact O-CB 3.45Å; E256-Y259 PolarHBondContact O-N 2.94Å; E256-Y260 HydrophobicContact CB-CE2 4.21Å; E256-Y260 WeakPolarHBondContact O-CD2 3.29Å; E256-Y260 WeakPolarHBondContact O-CE2 3.36Å; E256-Y260 PolarHBondContact O-N 3.2Å; E256-Y260 VanDerWaalsContact O-N 3.1Å
257Q82.6Confident73.6Confident137 Ų13785.7 Ų85.764%0.6444%0.436SS*.Hα-helixtrans-64.6-36.1178.9-67.7179.6-10.100112.3V254 R261V254-Q257 HydrophobicContact CB-CG 4.24Å; V254-Q257 HydrophobicContact CG1-CG 3.9Å; V254-Q257 PolarHBondContact O-N 3.47Å; V254-Q257 VanDerWaalsContact O-N 3.07Å; Q257-R261 PolarHBondContact O-N 2.84Å
258V80.4Confident72.6Confident28 Ų2885.8 Ų85.817%0.1744%0.44CS..Hα-helixtrans-66.7-45176.7-178.50000110.3F235 V253 W255 E256 Y260 R261 G262F235-V258 HydrophobicContact CD1-CG1 4.12Å; V253-V258 HydrophobicContact CG1-CG2 3.73Å; W255-V258 HydrophobicContact CE3-CB 4.45Å; W255-V258 HydrophobicContact CE3-CG2 4.42Å; W255-V258 PolarHBondContact O-N 3.16Å; E256-V258 VanDerWaalsContact C-N 3.31Å; E256-V258 PolarHBondContact O-N 3.29Å; V258-Y260 PolarHBondContact O-N 3.24Å; V258-R261 PolarHBondContact O-N 3.45Å; V258-G262 PolarHBondContact O-N 3.38Å
259Y82.3Confident71.8Confident12 Ų1286.9 Ų86.95%0.04744%0.44CS..Hα-helixtrans-58.6-46.6178.8-178.9-91.2000112.4P96 M110 Y224 S227 Y228 P234 F235 W255 E256 R261 G262 S263P96-Y259 HydrophobicContact CG-CE1 3.7Å; M110-Y259 HydrophobicContact CE-CD1 3.86Å; M110-Y259 HydrophobicContact CE-CD2 4.1Å; M110-Y259 HydrophobicContact CE-CE1 4.35Å; M110-Y259 HydrophobicContact CE-CG 3.7Å; M110-Y259 WeakPolarHBondContact SD-CB 3.39Å; M110-Y259 HydrophobicContact SD-CD1 4.4Å; M110-Y259 HydrophobicContact SD-CD2 3.82Å; M110-Y259 HydrophobicContact SD-CG 3.65Å; Y224-Y259 HydrophobicContact CD2-CE2 4.42Å; Y224-Y259 VanDerWaalsContact O-CE2 3.29Å; Y224-Y259 WeakPolarHBondContact O-CE2 3.48Å; Y224-Y259 PolarHBondContact O-OH 3.4Å; S227-Y259 PolarHBondContact OG-OH 3.17Å; S227-Y259 VanDerWaalsContact OG-OH 3.06Å; Y228-Y259 HydrophobicContact CD2-CE2 4.31Å; Y228-Y259 HydrophobicContact CE2-CD2 4.44Å; Y228-Y259 AromaticContact CE2-CE2 3.52Å; Y228-Y259 HydrophobicContact CE2-CE2 3.52Å; Y228-Y259 AromaticContact CE2-CZ 3.65Å; P234-Y259 HydrophobicContact CB-CD2 3.93Å; P234-Y259 HydrophobicContact CB-CE2 4.22Å; P234-Y259 HydrophobicContact CG-CD2 3.88Å; P234-Y259 HydrophobicContact CG-CE2 3.95Å; F235-Y259 HydrophobicContact CE1-CD2 4.29Å; F235-Y259 AromaticContact CZ-CD2 3.98Å; F235-Y259 HydrophobicContact CZ-CD2 3.98Å; W255-Y259 WeakPolarHBondContact O-CB 3.49Å; W255-Y259 PolarHBondContact O-N 3.28Å; E256-Y259 WeakPolarHBondContact O-CB 3.45Å; E256-Y259 PolarHBondContact O-N 2.94Å; Y259-R261 PolarHBondContact O-N 2.92Å; Y259-G262 PolarHBondContact O-N 3.02Å; Y259-S263 PolarHBondContact O-N 3.12Å
260Y78.1Confident71.3Confident51 Ų5187.4 Ų87.420%0.244%0.443CS..Hα-helixtrans-68.9-34.6179.7-65.6-62.9000113.9I95 P96 E256 V258 G262 S263 H264I95-Y260 WeakPolarHBondContact CA-OH 3.39Å; I95-Y260 WeakPolarHBondContact CB-OH 3.13Å; I95-Y260 WeakPolarHBondContact CG2-OH 3.33Å; P96-Y260 WeakPolarHBondContact CD-OH 3.11Å; E256-Y260 HydrophobicContact CB-CE2 4.21Å; E256-Y260 WeakPolarHBondContact O-CD2 3.29Å; E256-Y260 WeakPolarHBondContact O-CE2 3.36Å; E256-Y260 PolarHBondContact O-N 3.2Å; E256-Y260 VanDerWaalsContact O-N 3.1Å; V258-Y260 PolarHBondContact O-N 3.24Å; Y260-G262 VanDerWaalsContact C-N 3.25Å; Y260-G262 PolarHBondContact O-N 3.42Å; Y260-S263 VanDerWaalsContact CA-OG 3.32Å; Y260-S263 WeakPolarHBondContact CA-OG 3.38Å; Y260-S263 PolarHBondContact O-N 3.12Å; Y260-S263 PolarHBondContact O-OG 2.66Å; Y260-H264 PolarHBondContact O-CD2 3.26Å; Y260-H264 VanDerWaalsContact O-CD2 3.3Å; Y260-H264 PolarHBondContact O-N 3.01Å
261R72.7Confident71.4Confident177 Ų17785.9 Ų85.967%0.66842%0.424SS*.Hα-helixtrans-63.6-37.9173.4-168.4-176.8-67.7177-1.9110.7Q257 V258 Y259Q257-R261 PolarHBondContact O-N 2.84Å; V258-R261 PolarHBondContact O-N 3.45Å; Y259-R261 PolarHBondContact O-N 2.92Å
262G60.7Low71Confident15 Ų1577.6 Ų77.616%0.15540%0.399CS..Hα-helixtrans-62.6-48.817200000112.2V258 Y259 Y260 H264 N265 H266V258-G262 PolarHBondContact O-N 3.38Å; Y259-G262 PolarHBondContact O-N 3.02Å; Y260-G262 VanDerWaalsContact C-N 3.25Å; Y260-G262 PolarHBondContact O-N 3.42Å; G262-H264 VanDerWaalsContact C-N 3.34Å; G262-H264 PolarHBondContact O-N 2.76Å; G262-N265 PolarHBondContact O-N 3.29Å; G262-H266 PolarHBondContact O-CD2 3.11Å
263S60Low70.4Confident35 Ų3577.5 Ų77.525%0.24539%0.393CS..Hα-helixtrans-62.9-35.1-178.962.80000114Y228 Y259 Y260 N265 H266Y228-S263 WeakPolarHBondContact OH-CB 3.46Å; Y259-S263 PolarHBondContact O-N 3.12Å; Y260-S263 VanDerWaalsContact CA-OG 3.32Å; Y260-S263 WeakPolarHBondContact CA-OG 3.38Å; Y260-S263 PolarHBondContact O-N 3.12Å; Y260-S263 PolarHBondContact O-OG 2.66Å; S263-N265 VanDerWaalsContact C-N 3.34Å; S263-N265 PolarHBondContact O-N 2.98Å; S263-H266 PolarHBondContact O-N 2.97Å
264H58.8Low69.6Low97 Ų9780.5 Ų80.545%0.44941%0.406SS..Hα-helixtrans-73.3-21.3-179.5-82.5-54.1000114.7N93 Y260 G262 H266N93-H264 PolarHBondContact ND2-CE1 3.47Å; N93-H264 VanDerWaalsContact ND2-CE1 3.32Å; N93-H264 PolarHBondContact ND2-NE2 3.23Å; Y260-H264 PolarHBondContact O-CD2 3.26Å; Y260-H264 VanDerWaalsContact O-CD2 3.3Å; Y260-H264 PolarHBondContact O-N 3.01Å; G262-H264 VanDerWaalsContact C-N 3.34Å; G262-H264 PolarHBondContact O-N 2.76Å; H264-H266 PolarHBondContact O-N 3.29Å
265N53.3Low68.4Low133 Ų13381.2 Ų81.271%0.71140%0.404SS*.THydrogen-bonded Turntrans-78.3-3.3175.6-72.8-12000113.3G262 S263G262-N265 PolarHBondContact O-N 3.29Å; S263-N265 VanDerWaalsContact C-N 3.34Å; S263-N265 PolarHBondContact O-N 2.98Å
266H48.4Very low66.9Low135 Ų13586.5 Ų86.563%0.62543%0.432SS*.THydrogen-bonded Turntrans-113.49-178.2-66.8-68000113.5G262 S263 H264G262-H266 PolarHBondContact O-CD2 3.11Å; S263-H266 PolarHBondContact O-N 2.97Å; H264-H266 PolarHBondContact O-N 3.29Å
267V41.7Very low65.4Low184 Ų18491.3 Ų91.3100%1.11546%0.457SS*.  trans-101.10172.9-1770000110.1

Retrieved 267 of 267 residues in 107.5 ms (Link to these results)

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