A0A087Y144_POEFO Loading...

Ubiquitin-conjugating enzyme E2 G1

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. In vitro catalyzes 'Lys-48'-, as well as 'Lys-63'-linked polyubiquitination. May be involved in degradation of muscle-specific proteins. Mediates polyubiquitination of CYP3A4.

AlphaFold DB , UniProt , Accession A0A087Y144, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 170 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
1M53.8Low88.6Confident244 Ų24489.2 Ų89.2100%1.20245%0.453SS*.  0127.10-74.1180-8000107.1
2T74.9Confident89.4Confident142 Ų14297.6 Ų97.687%0.87148%0.475SS*.PPolyproline II helixtrans-64.7130.4174.140.30000109.1
3E79.7Confident90Very high83 Ų8392.4 Ų92.439%0.38845%0.449SS..PPolyproline II helixtrans-61.9135.1178.4-171167-155.100109.8A7 L8 R11E3-A7 HydrophobicContact CG-CB 3.84Å; E3-L8 HydrophobicContact CB-CD2 4.35Å; E3-L8 HydrophobicContact CB-CG 4.33Å; E3-L8 HydrophobicContact CG-CD2 4.29Å; E3-L8 HydrophobicContact CG-CG 4.22Å; E3-L8 VanDerWaalsContact OE2-CD2 3.24Å; E3-L8 WeakPolarHBondContact OE2-CD2 3.3Å; E3-R11 IonicContact OE1-CZ 3.5Å; E3-R11 IonicContact OE1-NE 2.8Å; E3-R11 PolarHBondContact OE1-NE 3.28Å; E3-R11 IonicContact OE1-NH2 3.3Å; E3-R11 PolarHBondContact OE1-NH2 3.11Å
4P92.1Very high90.5Very high75 Ų7587.6 Ų87.649%0.48743%0.427SS..PPolyproline II helixtrans-57.1142.6177.5-24.233.6000111.5S6 A7 L8P4-S6 PolarHBondContact O-N 2.71Å; P4-A7 PolarHBondContact O-N 3.38Å; P4-L8 PolarHBondContact O-N 3.39Å
5Q93.8Very high91Very high143 Ų14385.6 Ų85.667%0.66843%0.43SS*.Hα-helixtrans-54.6-37.5177.4-176.7-179.50.400112.3A7 L8 L9Q5-A7 PolarHBondContact O-N 2.97Å; Q5-L8 PolarHBondContact O-N 3.4Å; Q5-L9 HydrophobicContact CG-CD1 4.1Å; Q5-L9 WeakPolarHBondContact O-CG 3.24Å; Q5-L9 PolarHBondContact O-N 3.43Å
6S95.9Very high91.4Very high6 Ų686 Ų864%0.04243%0.43CS..Hα-helixtrans-55.7-47.8174.944.80000112.3P4 L9 L10 Y36 K63 Y65P4-S6 PolarHBondContact O-N 2.71Å; S6-L9 PolarHBondContact O-N 2.79Å; S6-L10 VanDerWaalsContact O-CG 3.31Å; S6-L10 WeakPolarHBondContact O-CG 3.35Å; S6-L10 PolarHBondContact O-N 2.95Å; S6-Y36 PolarHBondContact OG-OH 3.06Å; S6-K63 WeakPolarHBondContact CB-O 3.4Å; S6-K63 PolarHBondContact OG-O 3.13Å; S6-Y65 VanDerWaalsContact CA-O 3.28Å; S6-Y65 WeakPolarHBondContact CA-O 3.35Å; S6-Y65 WeakPolarHBondContact CB-O 3.45Å
7A96.8Very high91.6Very high6 Ų682 Ų825%0.0541%0.41CS..Hα-helixtrans-66-42.1179.400000112.1E3 P4 Q5 L9 L10 R11 L35E3-A7 HydrophobicContact CG-CB 3.84Å; P4-A7 PolarHBondContact O-N 3.38Å; Q5-A7 PolarHBondContact O-N 2.97Å; A7-L9 VanDerWaalsContact C-N 3.31Å; A7-L9 PolarHBondContact O-N 2.96Å; A7-L10 PolarHBondContact O-N 3.3Å; A7-R11 WeakPolarHBondContact O-CG 3.44Å; A7-R11 PolarHBondContact O-N 2.93Å; A7-L35 HydrophobicContact CB-CD2 3.81Å; A7-L35 WeakPolarHBondContact O-CD2 3.38Å
8L96.3Very high91.8Very high95 Ų9583.8 Ų83.850%0.49742%0.422SS..Hα-helixtrans-59.2-42.5176.6-69.4171.7000112E3 P4 Q5 R12E3-L8 HydrophobicContact CB-CD2 4.35Å; E3-L8 HydrophobicContact CB-CG 4.33Å; E3-L8 HydrophobicContact CG-CD2 4.29Å; E3-L8 HydrophobicContact CG-CG 4.22Å; E3-L8 VanDerWaalsContact OE2-CD2 3.24Å; E3-L8 WeakPolarHBondContact OE2-CD2 3.3Å; P4-L8 PolarHBondContact O-N 3.39Å; Q5-L8 PolarHBondContact O-N 3.4Å; L8-R12 WeakPolarHBondContact O-CB 3.43Å; L8-R12 PolarHBondContact O-N 3.42Å; L8-R12 VanDerWaalsContact O-N 3.11Å
9L97Very high91.9Very high50 Ų5087.8 Ų87.826%0.26244%0.436SS..Hα-helixtrans-67.2-45178.2-72.1167.7000112.3Q5 S6 A7 R12 Q13 Y65 P66Q5-L9 HydrophobicContact CG-CD1 4.1Å; Q5-L9 WeakPolarHBondContact O-CG 3.24Å; Q5-L9 PolarHBondContact O-N 3.43Å; S6-L9 PolarHBondContact O-N 2.79Å; A7-L9 VanDerWaalsContact C-N 3.31Å; A7-L9 PolarHBondContact O-N 2.96Å; L9-R12 PolarHBondContact O-N 2.89Å; L9-Q13 WeakPolarHBondContact O-CG 3.38Å; L9-Q13 PolarHBondContact O-N 2.8Å; L9-Y65 HydrophobicContact CB-CE1 4.19Å; L9-P66 HydrophobicContact CD1-CG 3.74Å
10L97.9Very high92.1Very high0 Ų087.5 Ų87.50%044%0.436CS..Hα-helixtrans-64.3-42.2179-68.8172.6000111.8S6 A7 R12 Q13 L14 L35 Y36 W38 F61 Y65S6-L10 VanDerWaalsContact O-CG 3.31Å; S6-L10 WeakPolarHBondContact O-CG 3.35Å; S6-L10 PolarHBondContact O-N 2.95Å; A7-L10 PolarHBondContact O-N 3.3Å; L10-R12 VanDerWaalsContact C-N 3.32Å; L10-R12 PolarHBondContact O-N 2.95Å; L10-Q13 PolarHBondContact O-N 3.4Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 PolarHBondContact O-N 3.24Å; L10-L35 HydrophobicContact CB-CD1 4.01Å; L10-L35 HydrophobicContact CB-CD2 3.93Å; L10-L35 HydrophobicContact CB-CG 3.76Å; L10-L35 HydrophobicContact CD1-CG 4.27Å; L10-Y36 HydrophobicContact CD1-CD1 3.82Å; L10-Y36 HydrophobicContact CD1-CE1 3.89Å; L10-Y36 HydrophobicContact CD1-CG 4.29Å; L10-W38 HydrophobicContact CB-CZ2 4.46Å; L10-W38 HydrophobicContact CD2-CZ2 4.46Å; L10-F61 HydrophobicContact CD1-CB 4.11Å; L10-F61 HydrophobicContact CD1-CG 4.15Å; L10-F61 HydrophobicContact CD2-CD1 3.5Å; L10-F61 HydrophobicContact CD2-CD2 4.1Å; L10-F61 HydrophobicContact CD2-CE1 3.62Å; L10-F61 HydrophobicContact CD2-CE2 4.22Å; L10-F61 HydrophobicContact CD2-CG 3.77Å; L10-F61 HydrophobicContact CD2-CZ 4Å; L10-Y65 HydrophobicContact CD2-CD1 3.88Å; L10-Y65 HydrophobicContact CD2-CE1 3.79Å; L10-Y65 HydrophobicContact CD2-CG 4.5Å; L10-Y65 HydrophobicContact CG-CD1 3.98Å; L10-Y65 HydrophobicContact CG-CE1 4.2Å
11R97Very high92.1Very high137 Ų13788.4 Ų88.452%0.51745%0.448SS..Hα-helixtrans-60.5-43174.4-72.2-174.2-167.1-74.4-1111.8E3 A7 L14 A15 L35E3-R11 IonicContact OE1-CZ 3.5Å; E3-R11 IonicContact OE1-NE 2.8Å; E3-R11 PolarHBondContact OE1-NE 3.28Å; E3-R11 IonicContact OE1-NH2 3.3Å; E3-R11 PolarHBondContact OE1-NH2 3.11Å; A7-R11 WeakPolarHBondContact O-CG 3.44Å; A7-R11 PolarHBondContact O-N 2.93Å; R11-L14 PolarHBondContact O-N 3.44Å; R11-A15 WeakPolarHBondContact O-CB 3.38Å; R11-A15 PolarHBondContact O-N 2.94Å; R11-L35 HydrophobicContact CG-CD1 4.02Å; R11-L35 HydrophobicContact CG-CD2 3.62Å; R11-L35 HydrophobicContact CG-CG 4.49Å
12R97.4Very high94Very high190 Ų19078.7 Ų78.772%0.71740%0.403SS*.Hα-helixtrans-62.5-46.5178-177.9-179.9174.8-175.9-2.1111.2L8 L9 L10 A15 E16L8-R12 WeakPolarHBondContact O-CB 3.43Å; L8-R12 PolarHBondContact O-N 3.42Å; L8-R12 VanDerWaalsContact O-N 3.11Å; L9-R12 PolarHBondContact O-N 2.89Å; L10-R12 VanDerWaalsContact C-N 3.32Å; L10-R12 PolarHBondContact O-N 2.95Å; R12-A15 PolarHBondContact O-N 3.34Å; R12-E16 WeakPolarHBondContact O-CB 3.45Å; R12-E16 PolarHBondContact O-N 3.35Å
13Q97.6Very high94.7Very high30 Ų3080.8 Ų80.814%0.1440%0.403CS..Hα-helixtrans-64.6-39.9178.1-72-177.946.200112.1L9 L10 E16 L17 W38 Y65 T116L9-Q13 WeakPolarHBondContact O-CG 3.38Å; L9-Q13 PolarHBondContact O-N 2.8Å; L10-Q13 PolarHBondContact O-N 3.4Å; Q13-E16 PolarHBondContact O-N 3.03Å; Q13-L17 WeakPolarHBondContact O-CG 3.31Å; Q13-L17 PolarHBondContact O-N 3.38Å; Q13-W38 HydrophobicContact CB-CH2 4.49Å; Q13-Y65 PolarHBondContact NE2-OH 3.3Å; Q13-T116 VanDerWaalsContact OE1-CA 3.3Å
14L97.4Very high95.3Very high25 Ų2578.3 Ų78.313%0.13140%0.399CS..Hα-helixtrans-62.8-46.1176.2-175.663.1000111.3L10 R11 E16 L17 N18 L29 W38L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 PolarHBondContact O-N 3.24Å; R11-L14 PolarHBondContact O-N 3.44Å; L14-E16 VanDerWaalsContact C-N 3.29Å; L14-E16 PolarHBondContact O-N 3.46Å; L14-L17 PolarHBondContact O-N 2.84Å; L14-N18 WeakPolarHBondContact O-CB 3.41Å; L14-N18 VanDerWaalsContact O-CG 3.23Å; L14-N18 PolarHBondContact O-N 3.38Å; L14-N18 PolarHBondContact O-ND2 3.33Å; L14-L29 HydrophobicContact CD2-CD1 3.95Å; L14-L29 HydrophobicContact CD2-CD2 4.01Å; L14-L29 HydrophobicContact CD2-CG 3.8Å; L14-W38 HydrophobicContact CB-CH2 3.51Å; L14-W38 HydrophobicContact CB-CZ2 3.75Å; L14-W38 HydrophobicContact CB-CZ3 4.4Å; L14-W38 HydrophobicContact CD1-CE3 4.33Å; L14-W38 HydrophobicContact CD1-CH2 3.73Å; L14-W38 HydrophobicContact CD1-CZ2 4.14Å; L14-W38 HydrophobicContact CD1-CZ3 3.81Å; L14-W38 HydrophobicContact CG-CH2 4.19Å; L14-W38 HydrophobicContact CG-CZ2 4.4Å
15A97.2Very high95.6Very high58 Ų5875.6 Ų75.648%0.47938%0.38SS..Hα-helixtrans-62.5-37.9177.100000112R11 R12 K19R11-A15 WeakPolarHBondContact O-CB 3.38Å; R11-A15 PolarHBondContact O-N 2.94Å; R12-A15 PolarHBondContact O-N 3.34Å; A15-K19 VanDerWaalsContact O-CB 3.3Å; A15-K19 WeakPolarHBondContact O-CB 3.26Å; A15-K19 PolarHBondContact O-N 3.2Å
16E96.9Very high95.7Very high92 Ų9272.5 Ų72.543%0.4337%0.374SS..Hα-helixtrans-65.1-48.9176.8-169.860.8-152.500111.4R12 Q13 L14 N18 K19 N20R12-E16 WeakPolarHBondContact O-CB 3.45Å; R12-E16 PolarHBondContact O-N 3.35Å; Q13-E16 PolarHBondContact O-N 3.03Å; L14-E16 VanDerWaalsContact C-N 3.29Å; L14-E16 PolarHBondContact O-N 3.46Å; E16-N18 VanDerWaalsContact C-N 3.31Å; E16-N18 PolarHBondContact O-N 3.07Å; E16-K19 PolarHBondContact O-N 3.47Å; E16-K19 VanDerWaalsContact O-N 3.13Å; E16-N20 PolarHBondContact O-N 3.02Å; E16-N20 PolarHBondContact OE1-ND2 3.19Å
17L96.3Very high95.8Very high18 Ų1872.7 Ų72.79%0.09438%0.376CS..Hα-helixtrans-64.2-34.9178.4-71.3169.6000112.7Q13 L14 K19 N20 P21 V22 F25 A27 W38 V117 E118Q13-L17 WeakPolarHBondContact O-CG 3.31Å; Q13-L17 PolarHBondContact O-N 3.38Å; L14-L17 PolarHBondContact O-N 2.84Å; L17-K19 VanDerWaalsContact C-N 3.34Å; L17-N20 CarbonylContact O-C 3.49Å; L17-P21 WeakPolarHBondContact O-CA 3.35Å; L17-V22 HydrophobicContact CD2-CG2 4.19Å; L17-F25 HydrophobicContact CD2-CE2 4.09Å; L17-F25 HydrophobicContact CD2-CZ 3.93Å; L17-A27 HydrophobicContact CD1-CB 4.3Å; L17-W38 HydrophobicContact CD1-CH2 4.49Å; L17-W38 HydrophobicContact CD1-CZ3 3.89Å; L17-V117 HydrophobicContact CD1-CB 4.07Å; L17-V117 HydrophobicContact CD1-CG1 3.97Å; L17-E118 HydrophobicContact CD2-CB 4.47Å
18N93.6Very high95.8Very high115 Ų11573.4 Ų73.462%0.61538%0.384SS*.Hα-helixtrans-68.8-33.6174.7-74.4-17.9000112.5L14 E16L14-N18 WeakPolarHBondContact O-CB 3.41Å; L14-N18 VanDerWaalsContact O-CG 3.23Å; L14-N18 PolarHBondContact O-N 3.38Å; L14-N18 PolarHBondContact O-ND2 3.33Å; E16-N18 VanDerWaalsContact C-N 3.31Å; E16-N18 PolarHBondContact O-N 3.07Å
19K95.4Very high95.9Very high159 Ų15970.9 Ų70.969%0.69137%0.371SS*.Hα-helixtrans-82.7-40.2-178.6-174.4-179177.4-173.30111.9A15 E16 L17A15-K19 VanDerWaalsContact O-CB 3.3Å; A15-K19 WeakPolarHBondContact O-CB 3.26Å; A15-K19 PolarHBondContact O-N 3.2Å; E16-K19 PolarHBondContact O-N 3.47Å; E16-K19 VanDerWaalsContact O-N 3.13Å; L17-K19 VanDerWaalsContact C-N 3.34Å
20N94.4Very high95.9Very high82 Ų8271 Ų7144%0.43937%0.371SS..SBendtrans-127.977.8-175.6-63.2-45.6000108.2E16 L17E16-N20 PolarHBondContact O-N 3.02Å; E16-N20 PolarHBondContact OE1-ND2 3.19Å; L17-N20 CarbonylContact O-C 3.49Å
21P92.1Very high95.7Very high106 Ų10675.6 Ų75.669%0.68839%0.393SS*.PPolyproline II helixtrans-63.6141.417927-34.2000110.4L17L17-P21 WeakPolarHBondContact O-CA 3.35Å
22V93.8Very high95.5Very high41 Ų4176.6 Ų76.625%0.24841%0.408CS..PPolyproline II helixtrans-98.4137.6178.7-177.70000108.8L17 F25 E118L17-V22 HydrophobicContact CD2-CG2 4.19Å; V22-F25 HydrophobicContact CB-CD1 4.41Å; V22-F25 HydrophobicContact CB-CE1 3.63Å; V22-F25 HydrophobicContact CB-CZ 3.94Å; V22-F25 HydrophobicContact CG1-CD1 4.45Å; V22-F25 HydrophobicContact CG1-CE1 3.74Å; V22-F25 HydrophobicContact CG1-CZ 4.47Å; V22-F25 HydrophobicContact CG2-CE1 4.4Å; V22-F25 HydrophobicContact CG2-CZ 4.33Å; V22-F25 VanDerWaalsContact O-O 3.05Å; V22-E118 HydrophobicContact CG2-CG 4.04Å
23E91Very high95.4Very high186 Ų18674 Ų7487%0.86941%0.409SS*.THydrogen-bonded Turntrans-64.3144.8179-66.1-174.6173.900111.7
24G92.3Very high95.3Very high31 Ų3174.5 Ų74.532%0.3241%0.412SS..THydrogen-bonded Turntrans91.6-11.9176.100000115.2I43G24-I43 PolarHBondContact O-N 3Å
25F97.1Very high95.3Very high17 Ų1774 Ų748%0.07541%0.41CS..EExtended strand (participates in β ladder)trans-151.2162.5169.474.7-85.3000113.4L17 V22 A27 V40 L41 I42 M121 I125L17-F25 HydrophobicContact CD2-CE2 4.09Å; L17-F25 HydrophobicContact CD2-CZ 3.93Å; V22-F25 HydrophobicContact CB-CD1 4.41Å; V22-F25 HydrophobicContact CB-CE1 3.63Å; V22-F25 HydrophobicContact CB-CZ 3.94Å; V22-F25 HydrophobicContact CG1-CD1 4.45Å; V22-F25 HydrophobicContact CG1-CE1 3.74Å; V22-F25 HydrophobicContact CG1-CZ 4.47Å; V22-F25 HydrophobicContact CG2-CE1 4.4Å; V22-F25 HydrophobicContact CG2-CZ 4.33Å; V22-F25 VanDerWaalsContact O-O 3.05Å; F25-A27 HydrophobicContact CD2-CB 4.18Å; F25-A27 HydrophobicContact CE2-CB 4.11Å; F25-V40 HydrophobicContact CB-CG1 4.16Å; F25-V40 HydrophobicContact CD2-CG1 4Å; F25-V40 HydrophobicContact CG-CG1 4.48Å; F25-L41 CarbonylContact C-O 3.56Å; F25-L41 WeakPolarHBondContact CA-O 3.12Å; F25-L41 WeakPolarHBondContact CB-O 3.23Å; F25-I42 HydrophobicContact CB-CG1 4.22Å; F25-M121 HydrophobicContact CD1-CB 3.56Å; F25-M121 HydrophobicContact CD1-CG 4.01Å; F25-M121 HydrophobicContact CD2-CB 4.19Å; F25-M121 HydrophobicContact CD2-CG 3.68Å; F25-M121 HydrophobicContact CE1-CB 3.48Å; F25-M121 VanDerWaalsContact CE1-CB 3.48Å; F25-M121 HydrophobicContact CE1-CG 3.97Å; F25-M121 HydrophobicContact CE2-CB 4.14Å; F25-M121 HydrophobicContact CE2-CG 3.66Å; F25-M121 HydrophobicContact CG-CB 3.92Å; F25-M121 HydrophobicContact CG-CG 3.86Å; F25-M121 HydrophobicContact CZ-CB 3.79Å; F25-M121 HydrophobicContact CZ-CG 3.8Å; F25-I125 HydrophobicContact CD1-CD1 4.33Å
26S96.8Very high95.3Very high78 Ų7872.4 Ų72.455%0.54539%0.391SS..EExtended strand (participates in β ladder)trans-129.8137.9166.9175.70000108.7V40 L41S26-V40 CarbonylContact O-C 3.46Å; S26-V40 VanDerWaalsContact O-CA 3.24Å; S26-V40 WeakPolarHBondContact O-CA 3.24Å; S26-V40 VanDerWaalsContact O-CG1 3.23Å; S26-V40 WeakPolarHBondContact O-CG1 3.4Å; S26-L41 PolarHBondContact N-O 2.96Å; S26-L41 PolarHBondContact O-N 3.05Å
27A97.1Very high95.4Very high10 Ų1072.4 Ų72.48%0.08339%0.387CS..EExtended strand (participates in β ladder)trans-132.7139.4-178.200000110.9L17 F25 W38 E39 V40 V117L17-A27 HydrophobicContact CD1-CB 4.3Å; F25-A27 HydrophobicContact CD2-CB 4.18Å; F25-A27 HydrophobicContact CE2-CB 4.11Å; A27-W38 HydrophobicContact CB-CE3 4.08Å; A27-W38 HydrophobicContact CB-CZ3 4.3Å; A27-E39 WeakPolarHBondContact CA-O 3.08Å; A27-V40 HydrophobicContact CB-CG1 4.25Å; A27-V40 HydrophobicContact CB-CG2 3.88Å; A27-V117 HydrophobicContact CB-CG1 4.37Å
28G96.8Very high95.5Very high22 Ų2271.5 Ų71.523%0.22738%0.383CS..EExtended strand (participates in β ladder)trans-157.8180179.900000111.9W38 E39G28-W38 CarbonylContact O-C 3.52Å; G28-W38 WeakPolarHBondContact O-CA 3.08Å; G28-W38 VanDerWaalsContact O-CB 3.25Å; G28-W38 WeakPolarHBondContact O-CB 3.25Å; G28-E39 PolarHBondContact N-O 2.94Å; G28-E39 PolarHBondContact O-N 2.98Å
29L98Very high95.7Very high41 Ų4168.6 Ų68.622%0.21537%0.366CS..EExtended strand (participates in β ladder)trans-77.6143.8176.2-56.6-176.4000110.3L14 L35 W38L14-L29 HydrophobicContact CD2-CD1 3.95Å; L14-L29 HydrophobicContact CD2-CD2 4.01Å; L14-L29 HydrophobicContact CD2-CG 3.8Å; L29-L35 HydrophobicContact CD1-CD1 4.5Å; L29-L35 HydrophobicContact CD2-CD1 4.16Å; L29-W38 HydrophobicContact CD2-CD2 4.21Å; L29-W38 HydrophobicContact CD2-CG 4.11Å; L29-W38 HydrophobicContact CD2-CZ2 4.49Å; L29-W38 VanDerWaalsContact CD2-NE1 3.33Å
30I96.9Very high95.9Very high52 Ų5261 Ų6127%0.26733%0.333SS..SBendtrans-68.5-42.9168.6-57.6-178.2000109.3R37 E39 H58I30-R37 HydrophobicContact CD1-CB 4.09Å; I30-R37 HydrophobicContact CG1-CB 4.41Å; I30-R37 PolarHBondContact N-O 3.43Å; I30-E39 HydrophobicContact CG1-CB 4.03Å; I30-H58 HydrophobicContact CD1-CB 4.39Å
31E95.2Very high96Very high98 Ų9860.2 Ų60.246%0.45833%0.328SS..SBendtrans-135.6134.2177.4-61.6174.6-153.500108.8N33 D34E31-N33 VanDerWaalsContact CB-OD1 3.26Å; E31-N33 WeakPolarHBondContact CB-OD1 3.34Å; E31-N33 PolarHBondContact O-N 2.87Å; E31-N33 PolarHBondContact OE2-OD1 2.84Å; E31-D34 PolarHBondContact O-N 2.85Å
32D92.7Very high96.3Very high158 Ų15855.2 Ų55.285%0.84530%0.295SS*.THydrogen-bonded Turntrans-60.1-22.7-175.3-69.3-24.6000114.1
33N93.9Very high96.5Very high135 Ų13557.1 Ų57.172%0.72230%0.303SS*.THydrogen-bonded Turntrans-88.8-8.7179.166.3-11000113.6E31E31-N33 VanDerWaalsContact CB-OD1 3.26Å; E31-N33 WeakPolarHBondContact CB-OD1 3.34Å; E31-N33 PolarHBondContact O-N 2.87Å; E31-N33 PolarHBondContact OE2-OD1 2.84Å
34D96.3Very high96.8Very high41 Ų4148.4 Ų48.422%0.21926%0.264CS..  trans-12189.1178.5-168.2-0.5000112.5E31 Y36 R37E31-D34 PolarHBondContact O-N 2.85Å; D34-Y36 PolarHBondContact O-N 2.91Å; D34-Y36 PolarHBondContact OD1-N 3.31Å; D34-R37 PolarHBondContact O-N 2.83Å; D34-R37 WeakPolarHBondContact OD2-CD 3.39Å; D34-R37 VanDerWaalsContact OD2-CG 3.31Å; D34-R37 WeakPolarHBondContact OD2-CG 3.49Å
35L97.3Very high97Very high14 Ų1447.7 Ų47.77%0.07325%0.253CS..THydrogen-bonded Turntrans-60.9-14.9176.9-174.163.8000114.3A7 L10 R11 L29 W38A7-L35 HydrophobicContact CB-CD2 3.81Å; A7-L35 WeakPolarHBondContact O-CD2 3.38Å; L10-L35 HydrophobicContact CB-CD1 4.01Å; L10-L35 HydrophobicContact CB-CD2 3.93Å; L10-L35 HydrophobicContact CB-CG 3.76Å; L10-L35 HydrophobicContact CD1-CG 4.27Å; R11-L35 HydrophobicContact CG-CD1 4.02Å; R11-L35 HydrophobicContact CG-CD2 3.62Å; R11-L35 HydrophobicContact CG-CG 4.49Å; L29-L35 HydrophobicContact CD1-CD1 4.5Å; L29-L35 HydrophobicContact CD2-CD1 4.16Å; L35-W38 PolarHBondContact O-NE1 3.46Å
36Y98.2Very high97Very high25 Ų2551.3 Ų51.310%0.09828%0.278CS..THydrogen-bonded Turntrans-97.51.3-174.3-65.7-99.2000113.1S6 L10 D34 T60 F61 K63S6-Y36 PolarHBondContact OG-OH 3.06Å; L10-Y36 HydrophobicContact CD1-CD1 3.82Å; L10-Y36 HydrophobicContact CD1-CE1 3.89Å; L10-Y36 HydrophobicContact CD1-CG 4.29Å; D34-Y36 PolarHBondContact O-N 2.91Å; D34-Y36 PolarHBondContact OD1-N 3.31Å; Y36-T60 WeakPolarHBondContact O-CA 3.41Å; Y36-F61 HydrophobicContact CD1-CB 3.98Å; Y36-F61 WeakPolarHBondContact O-CD2 3.37Å; Y36-F61 PolarHBondContact O-N 3.32Å; Y36-K63 HydrophobicContact CD1-CD 3.97Å; Y36-K63 HydrophobicContact CD2-CD 4.39Å; Y36-K63 HydrophobicContact CE1-CD 3.72Å; Y36-K63 HydrophobicContact CE2-CD 4.16Å; Y36-K63 VanDerWaalsContact CE2-NZ 3.32Å; Y36-K63 HydrophobicContact CG-CD 4.3Å
37R98.5Very high96.9Very high91 Ų9155.2 Ų55.234%0.34329%0.293SS..EExtended strand (participates in β ladder)trans-128.6111.5179.6-68.3-178.468.3-148.6-4.4110.4I30 D34I30-R37 HydrophobicContact CD1-CB 4.09Å; I30-R37 HydrophobicContact CG1-CB 4.41Å; I30-R37 PolarHBondContact N-O 3.43Å; D34-R37 PolarHBondContact O-N 2.83Å; D34-R37 WeakPolarHBondContact OD2-CD 3.39Å; D34-R37 VanDerWaalsContact OD2-CG 3.31Å; D34-R37 WeakPolarHBondContact OD2-CG 3.49Å
38W98.6Very high96.9Very high0 Ų055.9 Ų55.90%030%0.296CS..EExtended strand (participates in β ladder)trans-114.3143.9-174.7-69.642.4000110.4L10 Q13 L14 L17 A27 G28 L29 L35 H58 L59 F61 V117L10-W38 HydrophobicContact CB-CZ2 4.46Å; L10-W38 HydrophobicContact CD2-CZ2 4.46Å; Q13-W38 HydrophobicContact CB-CH2 4.49Å; L14-W38 HydrophobicContact CB-CH2 3.51Å; L14-W38 HydrophobicContact CB-CZ2 3.75Å; L14-W38 HydrophobicContact CB-CZ3 4.4Å; L14-W38 HydrophobicContact CD1-CE3 4.33Å; L14-W38 HydrophobicContact CD1-CH2 3.73Å; L14-W38 HydrophobicContact CD1-CZ2 4.14Å; L14-W38 HydrophobicContact CD1-CZ3 3.81Å; L14-W38 HydrophobicContact CG-CH2 4.19Å; L14-W38 HydrophobicContact CG-CZ2 4.4Å; L17-W38 HydrophobicContact CD1-CH2 4.49Å; L17-W38 HydrophobicContact CD1-CZ3 3.89Å; A27-W38 HydrophobicContact CB-CE3 4.08Å; A27-W38 HydrophobicContact CB-CZ3 4.3Å; G28-W38 CarbonylContact O-C 3.52Å; G28-W38 WeakPolarHBondContact O-CA 3.08Å; G28-W38 VanDerWaalsContact O-CB 3.25Å; G28-W38 WeakPolarHBondContact O-CB 3.25Å; L29-W38 HydrophobicContact CD2-CD2 4.21Å; L29-W38 HydrophobicContact CD2-CG 4.11Å; L29-W38 HydrophobicContact CD2-CZ2 4.49Å; L29-W38 VanDerWaalsContact CD2-NE1 3.33Å; L35-W38 PolarHBondContact O-NE1 3.46Å; W38-H58 CarbonylContact O-C 3.55Å; W38-H58 VanDerWaalsContact O-CA 3.26Å; W38-H58 WeakPolarHBondContact O-CA 3.34Å; W38-L59 HydrophobicContact CB-CB 4.08Å; W38-L59 PolarHBondContact N-O 3.05Å; W38-L59 PolarHBondContact O-N 2.78Å; W38-F61 HydrophobicContact CB-CE2 4.13Å; W38-F61 AromaticContact CD1-CD2 3.86Å; W38-F61 AromaticContact CD1-CE2 3.46Å; W38-F61 VanDerWaalsContact CD1-CE2 3.46Å; W38-F61 AromaticContact CD2-CE2 3.97Å; W38-F61 HydrophobicContact CD2-CE2 3.97Å; W38-F61 HydrophobicContact CD2-CZ 4.44Å; W38-F61 HydrophobicContact CG-CD2 4.42Å; W38-F61 AromaticContact CG-CE2 3.62Å; W38-F61 HydrophobicContact CG-CE2 3.62Å; W38-F61 HydrophobicContact CG-CZ 4.47Å; W38-F61 AromaticContact NE1-CE2 3.72Å; W38-V117 HydrophobicContact CE3-CG1 4.47Å; W38-V117 HydrophobicContact CE3-CG2 4.41Å; W38-V117 HydrophobicContact CH2-CG2 4.23Å; W38-V117 HydrophobicContact CZ3-CG1 4.3Å; W38-V117 HydrophobicContact CZ3-CG2 4.05Å
39E98.3Very high96.9Very high54 Ų5457.1 Ų57.125%0.25230%0.298SS..EExtended strand (participates in β ladder)trans-98.7138.1164.5-171.6170.1102.800108.5A27 G28 I30 K56 H58A27-E39 WeakPolarHBondContact CA-O 3.08Å; G28-E39 PolarHBondContact N-O 2.94Å; G28-E39 PolarHBondContact O-N 2.98Å; I30-E39 HydrophobicContact CG1-CB 4.03Å; E39-K56 VanDerWaalsContact CD-CE 3.49Å; E39-K56 HydrophobicContact CG-CD 4.25Å; E39-K56 HydrophobicContact CG-CG 3.96Å; E39-K56 VanDerWaalsContact OE1-CE 3.3Å; E39-K56 WeakPolarHBondContact OE1-CE 3.46Å; E39-K56 IonicContact OE1-NZ 2.87Å; E39-K56 PolarHBondContact OE1-NZ 2.85Å; E39-K56 VanDerWaalsContact OE2-CD 3.25Å; E39-K56 WeakPolarHBondContact OE2-CD 3.38Å; E39-K56 WeakPolarHBondContact OE2-CE 3.36Å; E39-K56 IonicContact OE2-NZ 2.81Å; E39-K56 PolarHBondContact OE2-NZ 2.77Å; E39-H58 IonicContact OE2-NE2 2.7Å
40V97.8Very high96.9Very high0 Ų055.3 Ų55.30%029%0.288CS..EExtended strand (participates in β ladder)trans-126.9135.6172.6-169.60000109.4F25 S26 A27 I42 K56 A57 L59 M121F25-V40 HydrophobicContact CB-CG1 4.16Å; F25-V40 HydrophobicContact CD2-CG1 4Å; F25-V40 HydrophobicContact CG-CG1 4.48Å; S26-V40 CarbonylContact O-C 3.46Å; S26-V40 VanDerWaalsContact O-CA 3.24Å; S26-V40 WeakPolarHBondContact O-CA 3.24Å; S26-V40 VanDerWaalsContact O-CG1 3.23Å; S26-V40 WeakPolarHBondContact O-CG1 3.4Å; A27-V40 HydrophobicContact CB-CG1 4.25Å; A27-V40 HydrophobicContact CB-CG2 3.88Å; V40-I42 HydrophobicContact CG1-CG1 3.93Å; V40-K56 CarbonylContact O-C 3.42Å; V40-K56 WeakPolarHBondContact O-CA 3.37Å; V40-A57 PolarHBondContact N-O 3.44Å; V40-A57 PolarHBondContact O-N 3.09Å; V40-L59 HydrophobicContact CG2-CD1 3.81Å; V40-L59 HydrophobicContact CG2-CG 4.41Å; V40-M121 HydrophobicContact CB-SD 4.37Å; V40-M121 HydrophobicContact CG1-SD 3.65Å; V40-M121 HydrophobicContact CG2-SD 4.31Å
41L97.8Very high97Very high64 Ų6457.9 Ų57.934%0.33530%0.299SS..EExtended strand (participates in β ladder)trans-105.3123.2166-66.2176.7000108.6F25 S26 K56F25-L41 CarbonylContact C-O 3.56Å; F25-L41 WeakPolarHBondContact CA-O 3.12Å; F25-L41 WeakPolarHBondContact CB-O 3.23Å; S26-L41 PolarHBondContact N-O 2.96Å; S26-L41 PolarHBondContact O-N 3.05Å; L41-K56 HydrophobicContact CD2-CB 3.79Å; L41-K56 HydrophobicContact CD2-CG 4.14Å
42I98.1Very high97Very high1 Ų154.8 Ų54.81%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-112.3128.3-180-60.6160.4000108.6F25 V40 F55 M72 F74 M121 V124 I125 L128F25-I42 HydrophobicContact CB-CG1 4.22Å; V40-I42 HydrophobicContact CG1-CG1 3.93Å; I42-F55 PolarHBondContact N-O 3.32Å; I42-F55 PolarHBondContact O-N 2.93Å; I42-M72 HydrophobicContact CD1-CE 3.45Å; I42-M72 VanDerWaalsContact CD1-CE 3.45Å; I42-F74 HydrophobicContact CD1-CE1 3.98Å; I42-F74 HydrophobicContact CD1-CZ 4.17Å; I42-M121 HydrophobicContact CD1-SD 4.15Å; I42-M121 HydrophobicContact CG1-SD 4.35Å; I42-V124 HydrophobicContact CD1-CG1 3.91Å; I42-I125 HydrophobicContact CG2-CG1 4.24Å; I42-L128 HydrophobicContact CG2-CD1 4.26Å
43I97.6Very high97.3Very high81 Ų8147.3 Ų47.342%0.41525%0.253SS..EExtended strand (participates in β ladder)trans-86.1128.3172.6-52.5-56.7000108.2G24 G53 V54G24-I43 PolarHBondContact O-N 3Å; I43-G53 WeakPolarHBondContact CA-O 3.18Å; I43-V54 HydrophobicContact CD1-CG1 4.32Å; I43-V54 HydrophobicContact CD1-CG2 4.13Å
44G97.5Very high97.4Very high4 Ų442.1 Ų42.14%0.04123%0.226CC..PPolyproline II helixtrans-54.3123.6175.200000111.2Y50 G52 G53G44-Y50 VanDerWaalsContact CA-O 3.29Å; G44-Y50 WeakPolarHBondContact CA-O 3.28Å; G44-G52 PolarHBondContact O-N 3.1Å; G44-G53 PolarHBondContact N-O 2.83Å
45P97.1Very high97.5Very high15 Ų1540.2 Ų40.210%0.09722%0.216CC..PPolyproline II helixtrans-66.1148.8-170.6-18.631.4000112.2T48 E51 I125 L128P45-T48 HydrophobicContact CB-CG2 3.87Å; P45-T48 HydrophobicContact CG-CG2 4.43Å; P45-T48 PolarHBondContact O-OG1 3.22Å; P45-E51 WeakPolarHBondContact O-CA 3.35Å; P45-E51 WeakPolarHBondContact O-CB 3.45Å; P45-I125 HydrophobicContact CB-CG2 4.31Å; P45-I125 HydrophobicContact CG-CB 4.47Å; P45-I125 HydrophobicContact CG-CG2 3.8Å; P45-L128 HydrophobicContact CG-CB 4.23Å; P45-L128 HydrophobicContact CG-CD1 4.45Å
46P95.9Very high97.6Very high93 Ų9342.8 Ų42.860%0.60423%0.227SC*.THydrogen-bonded Turntrans-61.9153.4177.528.4-35.1000111.2T48P46-T48 PolarHBondContact O-N 3.08Å; P46-T48 VanDerWaalsContact O-N 3.16Å
47D95.6Very high97.6Very high161 Ų16141.6 Ų41.686%0.86122%0.222SC*.THydrogen-bonded Turntrans61.720.1179.2-57-55.3000113.9E51D47-E51 PolarHBondContact N-OE2 2.79Å
48T97.1Very high97.6Very high24 Ų2439.3 Ų39.315%0.14722%0.215CC..SBendtrans-116.1167.6175.276.90000111.5P45 P46 Y50 E51 A129P45-T48 HydrophobicContact CB-CG2 3.87Å; P45-T48 HydrophobicContact CG-CG2 4.43Å; P45-T48 PolarHBondContact O-OG1 3.22Å; P46-T48 PolarHBondContact O-N 3.08Å; P46-T48 VanDerWaalsContact O-N 3.16Å; T48-Y50 PolarHBondContact O-N 3.15Å; T48-Y50 PolarHBondContact OG1-N 3.26Å; T48-Y50 VanDerWaalsContact OG1-N 3.16Å; T48-E51 WeakPolarHBondContact O-CB 3.4Å; T48-E51 PolarHBondContact O-N 3.48Å; T48-E51 PolarHBondContact OG1-N 3.14Å; T48-A129 HydrophobicContact CG2-CB 3.68Å
49L97.6Very high97.6Very high48 Ų4839.3 Ų39.325%0.25122%0.215SC..THydrogen-bonded Turntrans-67-16.9172.8-64.3-176.4000113.1W145 F153 K154 V157L49-W145 HydrophobicContact CD1-CZ3 3.92Å; L49-F153 HydrophobicContact CD1-CD1 3.54Å; L49-F153 HydrophobicContact CD1-CE1 3.67Å; L49-K154 HydrophobicContact CD1-CB 4.38Å; L49-K154 HydrophobicContact CD2-CB 4.29Å; L49-K154 HydrophobicContact CD2-CD 4.04Å; L49-K154 HydrophobicContact CD2-CG 3.99Å; L49-V157 HydrophobicContact CB-CB 4.45Å; L49-V157 HydrophobicContact CB-CG1 3.98Å; L49-V157 WeakPolarHBondContact O-CG1 3.4Å
50Y98.2Very high97.6Very high2 Ų239.9 Ų39.91%0.00822%0.223CC..THydrogen-bonded Turntrans-93.4-5.2-178.4-59.7-84.9000112.9G44 T48 G52 G53 F55 I78 W79 H80 L128 F153 V157G44-Y50 VanDerWaalsContact CA-O 3.29Å; G44-Y50 WeakPolarHBondContact CA-O 3.28Å; T48-Y50 PolarHBondContact O-N 3.15Å; T48-Y50 PolarHBondContact OG1-N 3.26Å; T48-Y50 VanDerWaalsContact OG1-N 3.16Å; Y50-G52 PolarHBondContact O-N 2.97Å; Y50-G53 PolarHBondContact O-N 2.95Å; Y50-F55 HydrophobicContact CD1-CE2 4.33Å; Y50-F55 HydrophobicContact CD1-CZ 4.03Å; Y50-I78 HydrophobicContact CD1-CD1 4.14Å; Y50-I78 HydrophobicContact CD1-CG1 4.29Å; Y50-I78 HydrophobicContact CE1-CD1 3.99Å; Y50-I78 HydrophobicContact CE1-CG1 3.85Å; Y50-W79 PolarHBondContact OH-O 3.47Å; Y50-H80 AromaticContact CE2-CD2 3.84Å; Y50-H80 AromaticContact CZ-CD2 3.57Å; Y50-H80 PolarHBondContact OH-CD2 3.22Å; Y50-L128 HydrophobicContact CD1-CD2 4.24Å; Y50-L128 HydrophobicContact CD2-CB 4.03Å; Y50-L128 HydrophobicContact CD2-CD2 4.2Å; Y50-L128 WeakPolarHBondContact CD2-O 3.45Å; Y50-L128 HydrophobicContact CE1-CD2 4.36Å; Y50-L128 HydrophobicContact CE2-CD2 4.31Å; Y50-L128 VanDerWaalsContact CE2-O 3.29Å; Y50-L128 WeakPolarHBondContact CE2-O 3.44Å; Y50-L128 HydrophobicContact CG-CB 4.45Å; Y50-L128 HydrophobicContact CG-CD2 4.19Å; Y50-F153 WeakPolarHBondContact OH-CZ 3.37Å; Y50-V157 HydrophobicContact CD1-CG1 3.49Å; Y50-V157 VanDerWaalsContact CD1-CG1 3.49Å; Y50-V157 HydrophobicContact CD2-CG1 4.46Å; Y50-V157 HydrophobicContact CE1-CB 4.36Å; Y50-V157 HydrophobicContact CE1-CG1 3.43Å; Y50-V157 VanDerWaalsContact CE1-CG1 3.43Å; Y50-V157 HydrophobicContact CE1-CG2 3.99Å; Y50-V157 HydrophobicContact CE2-CG1 4.42Å; Y50-V157 HydrophobicContact CG-CG1 4.01Å
51E98Very high97.7Very high107 Ų10740.3 Ų40.350%0.522%0.224SC..THydrogen-bonded Turntrans-45.8131.1-174.8-178.3174.4170.500113P45 D47 T48 G53P45-E51 WeakPolarHBondContact O-CA 3.35Å; P45-E51 WeakPolarHBondContact O-CB 3.45Å; D47-E51 PolarHBondContact N-OE2 2.79Å; T48-E51 WeakPolarHBondContact O-CB 3.4Å; T48-E51 PolarHBondContact O-N 3.48Å; T48-E51 PolarHBondContact OG1-N 3.14Å; E51-G53 PolarHBondContact O-N 3.29Å
52G95.6Very high97.7Very high33 Ų3338.8 Ų38.834%0.3422%0.219SC..THydrogen-bonded Turntrans76.5-3.6178.700000115.2G44 Y50 Q165G44-G52 PolarHBondContact O-N 3.1Å; Y50-G52 PolarHBondContact O-N 2.97Å; G52-Q165 PolarHBondContact O-NE2 2.89Å
53G97.6Very high97.6Very high0 Ų045.4 Ų45.40%025%0.247CC..  trans-70.1151.9171.500000112.4I43 G44 Y50 E51I43-G53 WeakPolarHBondContact CA-O 3.18Å; G44-G53 PolarHBondContact N-O 2.83Å; Y50-G53 PolarHBondContact O-N 2.95Å; E51-G53 PolarHBondContact O-N 3.29Å
54V97.8Very high97.5Very high27 Ų2744.7 Ų44.716%0.16424%0.244CC..EExtended strand (participates in β ladder)trans-119.697.4177.1-1750000109.4I43 S164 A168I43-V54 HydrophobicContact CD1-CG1 4.32Å; I43-V54 HydrophobicContact CD1-CG2 4.13Å; V54-S164 PolarHBondContact N-OG 3.5Å; V54-S164 VanDerWaalsContact O-CB 3.29Å; V54-S164 WeakPolarHBondContact O-CB 3.49Å; V54-A168 HydrophobicContact CB-CB 3.91Å; V54-A168 HydrophobicContact CG1-CB 3.91Å; V54-A168 HydrophobicContact CG2-CB 4.15Å
55F98.3Very high97.5Very high0 Ų044.8 Ų44.80%024%0.243CC..EExtended strand (participates in β ladder)trans-102.8113.3-170.2-58.1-78.4000111.6I42 Y50 F74 T76 I78 V161I42-F55 PolarHBondContact N-O 3.32Å; I42-F55 PolarHBondContact O-N 2.93Å; Y50-F55 HydrophobicContact CD1-CE2 4.33Å; Y50-F55 HydrophobicContact CD1-CZ 4.03Å; F55-F74 HydrophobicContact CB-CD1 3.97Å; F55-F74 HydrophobicContact CB-CE1 3.68Å; F55-T76 HydrophobicContact CD1-CG2 3.76Å; F55-T76 HydrophobicContact CE1-CG2 4.38Å; F55-I78 HydrophobicContact CD1-CB 4.43Å; F55-I78 HydrophobicContact CD1-CD1 4.06Å; F55-I78 HydrophobicContact CD1-CG1 4.33Å; F55-I78 HydrophobicContact CE1-CB 4.48Å; F55-I78 HydrophobicContact CE1-CD1 4.14Å; F55-I78 HydrophobicContact CE1-CG1 4.13Å; F55-I78 HydrophobicContact CG-CD1 4.37Å; F55-V161 HydrophobicContact CZ-CG2 4Å
56K98.3Very high97.5Very high68 Ų6844.7 Ų44.730%0.29624%0.243SC..EExtended strand (participates in β ladder)trans-79.4134.8172.3-177.4177.6-73.3-141.20110.6E39 V40 L41 I75 T76E39-K56 VanDerWaalsContact CD-CE 3.49Å; E39-K56 HydrophobicContact CG-CD 4.25Å; E39-K56 HydrophobicContact CG-CG 3.96Å; E39-K56 VanDerWaalsContact OE1-CE 3.3Å; E39-K56 WeakPolarHBondContact OE1-CE 3.46Å; E39-K56 IonicContact OE1-NZ 2.87Å; E39-K56 PolarHBondContact OE1-NZ 2.85Å; E39-K56 VanDerWaalsContact OE2-CD 3.25Å; E39-K56 WeakPolarHBondContact OE2-CD 3.38Å; E39-K56 WeakPolarHBondContact OE2-CE 3.36Å; E39-K56 IonicContact OE2-NZ 2.81Å; E39-K56 PolarHBondContact OE2-NZ 2.77Å; V40-K56 CarbonylContact O-C 3.42Å; V40-K56 WeakPolarHBondContact O-CA 3.37Å; L41-K56 HydrophobicContact CD2-CB 3.79Å; L41-K56 HydrophobicContact CD2-CG 4.14Å; K56-I75 HydrophobicContact CB-CB 4.4Å; K56-I75 HydrophobicContact CD-CB 4.32Å; K56-I75 HydrophobicContact CD-CG2 4.38Å; K56-I75 HydrophobicContact CG-CB 4.13Å; K56-I75 HydrophobicContact CG-CG1 4.37Å; K56-I75 PolarHBondContact O-N 2.87Å; K56-T76 WeakPolarHBondContact CB-OG1 3.21Å; K56-T76 PolarHBondContact N-OG1 3.34Å; K56-T76 PolarHBondContact O-N 3.16Å; K56-T76 VanDerWaalsContact O-N 3.16Å
57A98.6Very high97.5Very high0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-139.6157.8174.600000111.2V40 M72 K73 F74V40-A57 PolarHBondContact N-O 3.44Å; V40-A57 PolarHBondContact O-N 3.09Å; A57-M72 HydrophobicContact CB-CE 3.56Å; A57-M72 HydrophobicContact CB-CG 4.43Å; A57-K73 CarbonylContact C-O 3.59Å; A57-K73 WeakPolarHBondContact CA-O 3.3Å; A57-K73 WeakPolarHBondContact CB-O 3.25Å; A57-F74 HydrophobicContact CB-CD1 3.91Å; A57-F74 HydrophobicContact CB-CE1 4.22Å; A57-F74 HydrophobicContact CB-CG 4.43Å
58H98.7Very high97.6Very high43 Ų4343.4 Ų43.420%0.19922%0.222CC..EExtended strand (participates in β ladder)trans-109.2137.6170.6-67.7165.3000110.9I30 W38 E39 M72 K73 I75I30-H58 HydrophobicContact CD1-CB 4.39Å; W38-H58 CarbonylContact O-C 3.55Å; W38-H58 VanDerWaalsContact O-CA 3.26Å; W38-H58 WeakPolarHBondContact O-CA 3.34Å; E39-H58 IonicContact OE2-NE2 2.7Å; H58-M72 CarbonylContact O-C 3.6Å; H58-M72 VanDerWaalsContact O-CA 3.32Å; H58-M72 WeakPolarHBondContact O-CA 3.48Å; H58-K73 PolarHBondContact N-O 2.82Å; H58-K73 PolarHBondContact O-N 2.86Å; H58-I75 HydrophobicContact CB-CD1 4.48Å; H58-I75 WeakPolarHBondContact ND1-CD1 3.41Å
59L98.6Very high97.6Very high0 Ų042.8 Ų42.80%022%0.218CC..EExtended strand (participates in β ladder)trans-107.4122.6167.1-89.3166.7000109W38 V40 F61 P70 K71 M72 V117 M121W38-L59 HydrophobicContact CB-CB 4.08Å; W38-L59 PolarHBondContact N-O 3.05Å; W38-L59 PolarHBondContact O-N 2.78Å; V40-L59 HydrophobicContact CG2-CD1 3.81Å; V40-L59 HydrophobicContact CG2-CG 4.41Å; L59-F61 HydrophobicContact CB-CE2 3.87Å; L59-F61 HydrophobicContact CB-CZ 4.13Å; L59-F61 HydrophobicContact CD1-CZ 4.34Å; L59-P70 HydrophobicContact CD2-CB 3.8Å; L59-P70 HydrophobicContact CD2-CG 3.72Å; L59-K71 CarbonylContact C-O 3.44Å; L59-K71 WeakPolarHBondContact CA-O 3.44Å; L59-M72 HydrophobicContact CD2-CB 3.93Å; L59-M72 HydrophobicContact CD2-CG 4.32Å; L59-M72 HydrophobicContact CG-CG 4.47Å; L59-V117 HydrophobicContact CD1-CG1 3.94Å; L59-M121 HydrophobicContact CD1-CE 3.9Å
60T98.7Very high97.6Very high67 Ų6740.6 Ų40.641%0.41121%0.207SC..EExtended strand (participates in β ladder)trans-115.4111.5177.8-54.70000109.7Y36 P70 K71Y36-T60 WeakPolarHBondContact O-CA 3.41Å; T60-P70 CarbonylContact O-C 3.56Å; T60-P70 VanDerWaalsContact O-CA 3.25Å; T60-P70 WeakPolarHBondContact O-CA 3.48Å; T60-P70 WeakPolarHBondContact O-CB 3.33Å; T60-K71 PolarHBondContact N-O 2.89Å; T60-K71 PolarHBondContact O-N 3.36Å
61F98.6Very high97.6Very high8 Ų848.4 Ų48.44%0.03524%0.241CC..  trans-87.8137.9-177.2-61.5-92.9000111.1L10 Y36 W38 L59 Y65 P70 V117L10-F61 HydrophobicContact CD1-CB 4.11Å; L10-F61 HydrophobicContact CD1-CG 4.15Å; L10-F61 HydrophobicContact CD2-CD1 3.5Å; L10-F61 HydrophobicContact CD2-CD2 4.1Å; L10-F61 HydrophobicContact CD2-CE1 3.62Å; L10-F61 HydrophobicContact CD2-CE2 4.22Å; L10-F61 HydrophobicContact CD2-CG 3.77Å; L10-F61 HydrophobicContact CD2-CZ 4Å; Y36-F61 HydrophobicContact CD1-CB 3.98Å; Y36-F61 WeakPolarHBondContact O-CD2 3.37Å; Y36-F61 PolarHBondContact O-N 3.32Å; W38-F61 HydrophobicContact CB-CE2 4.13Å; W38-F61 AromaticContact CD1-CD2 3.86Å; W38-F61 AromaticContact CD1-CE2 3.46Å; W38-F61 VanDerWaalsContact CD1-CE2 3.46Å; W38-F61 AromaticContact CD2-CE2 3.97Å; W38-F61 HydrophobicContact CD2-CE2 3.97Å; W38-F61 HydrophobicContact CD2-CZ 4.44Å; W38-F61 HydrophobicContact CG-CD2 4.42Å; W38-F61 AromaticContact CG-CE2 3.62Å; W38-F61 HydrophobicContact CG-CE2 3.62Å; W38-F61 HydrophobicContact CG-CZ 4.47Å; W38-F61 AromaticContact NE1-CE2 3.72Å; L59-F61 HydrophobicContact CB-CE2 3.87Å; L59-F61 HydrophobicContact CB-CZ 4.13Å; L59-F61 HydrophobicContact CD1-CZ 4.34Å; F61-Y65 AromaticContact CD1-CD2 3.72Å; F61-Y65 HydrophobicContact CD1-CD2 3.72Å; F61-Y65 AromaticContact CD1-CE2 3.9Å; F61-Y65 HydrophobicContact CD1-CE2 3.9Å; F61-Y65 HydrophobicContact CD1-CG 4.13Å; F61-Y65 HydrophobicContact CE1-CD2 4.39Å; F61-Y65 HydrophobicContact CE1-CE2 4.1Å; F61-P70 HydrophobicContact CD1-CB 3.64Å; F61-P70 HydrophobicContact CD1-CG 4.09Å; F61-P70 HydrophobicContact CE1-CB 3.8Å; F61-P70 HydrophobicContact CE1-CG 3.87Å; F61-P70 HydrophobicContact CG-CB 4.08Å; F61-P70 HydrophobicContact CZ-CB 4.35Å; F61-V117 HydrophobicContact CE1-CG2 4.01Å; F61-V117 HydrophobicContact CZ-CG2 3.57Å
62P97.8Very high97.7Very high33 Ų3343.5 Ų43.521%0.21422%0.218CC..  trans-76.4161.5172.237-38.4000110.5D64 Y65 R68 P69P62-D64 WeakPolarHBondContact CB-OD1 3.29Å; P62-D64 WeakPolarHBondContact CG-OD1 3.26Å; P62-D64 PolarHBondContact O-N 3.41Å; P62-Y65 WeakPolarHBondContact O-CB 3.39Å; P62-Y65 PolarHBondContact O-N 2.81Å; P62-R68 HydrophobicContact CG-CB 3.9Å; P62-P69 WeakPolarHBondContact CD-O 3.05Å
63K95.9Very high97.8Very high139 Ų13945.9 Ų45.960%0.60422%0.219SC*.THydrogen-bonded Turntrans-69.1-22.7-177.3-64.4-59.6179.5-1710113.4S6 Y36S6-K63 WeakPolarHBondContact CB-O 3.4Å; S6-K63 PolarHBondContact OG-O 3.13Å; Y36-K63 HydrophobicContact CD1-CD 3.97Å; Y36-K63 HydrophobicContact CD2-CD 4.39Å; Y36-K63 HydrophobicContact CE1-CD 3.72Å; Y36-K63 HydrophobicContact CE2-CD 4.16Å; Y36-K63 VanDerWaalsContact CE2-NZ 3.32Å; Y36-K63 HydrophobicContact CG-CD 4.3Å
64D95.9Very high97.9Very high66 Ų6646.2 Ų46.235%0.35322%0.22SC..THydrogen-bonded Turntrans-92.312176.159.9-8.4000113.3P62 L67 R68P62-D64 WeakPolarHBondContact CB-OD1 3.29Å; P62-D64 WeakPolarHBondContact CG-OD1 3.26Å; P62-D64 PolarHBondContact O-N 3.41Å; D64-L67 WeakPolarHBondContact O-CB 3.31Å; D64-L67 WeakPolarHBondContact O-CG 3.42Å; D64-L67 PolarHBondContact O-N 2.82Å; D64-R68 WeakPolarHBondContact OD2-CD 3.31Å
65Y97.5Very high97.9Very high6 Ų648.7 Ų48.72%0.02423%0.232CC..THydrogen-bonded Turntrans-50.9134.6169.2179.7-94.6000111.2S6 L9 L10 Q13 F61 P62 W111 H115S6-Y65 VanDerWaalsContact CA-O 3.28Å; S6-Y65 WeakPolarHBondContact CA-O 3.35Å; S6-Y65 WeakPolarHBondContact CB-O 3.45Å; L9-Y65 HydrophobicContact CB-CE1 4.19Å; L10-Y65 HydrophobicContact CD2-CD1 3.88Å; L10-Y65 HydrophobicContact CD2-CE1 3.79Å; L10-Y65 HydrophobicContact CD2-CG 4.5Å; L10-Y65 HydrophobicContact CG-CD1 3.98Å; L10-Y65 HydrophobicContact CG-CE1 4.2Å; Q13-Y65 PolarHBondContact NE2-OH 3.3Å; F61-Y65 AromaticContact CD1-CD2 3.72Å; F61-Y65 HydrophobicContact CD1-CD2 3.72Å; F61-Y65 AromaticContact CD1-CE2 3.9Å; F61-Y65 HydrophobicContact CD1-CE2 3.9Å; F61-Y65 HydrophobicContact CD1-CG 4.13Å; F61-Y65 HydrophobicContact CE1-CD2 4.39Å; F61-Y65 HydrophobicContact CE1-CE2 4.1Å; P62-Y65 WeakPolarHBondContact O-CB 3.39Å; P62-Y65 PolarHBondContact O-N 2.81Å; Y65-W111 HydrophobicContact CD2-CH2 4.46Å; Y65-W111 HydrophobicContact CD2-CZ2 4.03Å; Y65-W111 AromaticContact CE2-CH2 3.59Å; Y65-W111 HydrophobicContact CE2-CH2 3.59Å; Y65-W111 AromaticContact CE2-CZ2 3.48Å; Y65-W111 HydrophobicContact CE2-CZ2 3.48Å; Y65-W111 VanDerWaalsContact CE2-CZ2 3.48Å; Y65-H115 PolarHBondContact OH-O 2.87Å; Y65-H115 VanDerWaalsContact OH-O 3.1Å
66P96.9Very high97.9Very high14 Ų1449.8 Ų49.89%0.09124%0.239CC..THydrogen-bonded Turncis-97.419.99.239.6-36.3000113.6L9 R68 W111 P113L9-P66 HydrophobicContact CD1-CG 3.74Å; P66-R68 VanDerWaalsContact C-N 3.26Å; P66-R68 PolarHBondContact O-N 3.41Å; P66-W111 HydrophobicContact CB-CZ2 4.22Å; P66-W111 PolarHBondContact O-NE1 3.41Å; P66-P113 HydrophobicContact CB-CB 4.24Å; P66-P113 HydrophobicContact CG-CB 4.08Å; P66-P113 WeakPolarHBondContact O-CA 3.49Å
67L96.1Very high97.8Very high115 Ų11551 Ų5160%0.60225%0.248SC*.SBendtrans-66.9-32.1177.9-58.8178.4000111.8D64D64-L67 WeakPolarHBondContact O-CB 3.31Å; D64-L67 WeakPolarHBondContact O-CG 3.42Å; D64-L67 PolarHBondContact O-N 2.82Å
68R96.8Very high97.8Very high112 Ų11252 Ų5242%0.42325%0.254SS..SBendtrans-122.9148.4176.2-64.7-176.369.9-174.6-2111.1P62 D64 P66 E96P62-R68 HydrophobicContact CG-CB 3.9Å; D64-R68 WeakPolarHBondContact OD2-CD 3.31Å; P66-R68 VanDerWaalsContact C-N 3.26Å; P66-R68 PolarHBondContact O-N 3.41Å; R68-E96 WeakPolarHBondContact CG-OE2 3.49Å; R68-E96 IonicContact CZ-OE1 2.91Å; R68-E96 IonicContact CZ-OE2 3.82Å; R68-E96 VanDerWaalsContact NE-CD 3.32Å; R68-E96 IonicContact NE-OE1 2.75Å; R68-E96 PolarHBondContact NE-OE1 3.3Å; R68-E96 IonicContact NE-OE2 2.67Å; R68-E96 PolarHBondContact NE-OE2 2.98Å; R68-E96 IonicContact NH2-OE1 2.59Å; R68-E96 PolarHBondContact NH2-OE1 3.39Å; R68-E96 IonicContact NH2-OE2 3.21Å
69P98.1Very high97.7Very high11 Ų1152 Ų527%0.07125%0.252CS..PPolyproline II helixtrans-68.4155.8-179.126.6-32.2000111.6P62 L94 W111P62-P69 WeakPolarHBondContact CD-O 3.05Å; P69-L94 VanDerWaalsContact CG-O 3.23Å; P69-L94 WeakPolarHBondContact CG-O 3.44Å; P69-W111 HydrophobicContact CB-CB 3.92Å; P69-W111 HydrophobicContact CB-CD2 3.53Å; P69-W111 HydrophobicContact CB-CE3 3.72Å; P69-W111 HydrophobicContact CB-CG 3.63Å; P69-W111 HydrophobicContact CB-CZ3 4.44Å; P69-W111 HydrophobicContact CG-CB 3.98Å; P69-W111 HydrophobicContact CG-CD2 4.41Å; P69-W111 HydrophobicContact CG-CG 3.99Å
70P98.4Very high97.7Very high2 Ų252 Ų521%0.01325%0.252CS..PPolyproline II helixtrans-68.4162162.132.2-34.1000111L59 T60 F61 L94 I120L59-P70 HydrophobicContact CD2-CB 3.8Å; L59-P70 HydrophobicContact CD2-CG 3.72Å; T60-P70 CarbonylContact O-C 3.56Å; T60-P70 VanDerWaalsContact O-CA 3.25Å; T60-P70 WeakPolarHBondContact O-CA 3.48Å; T60-P70 WeakPolarHBondContact O-CB 3.33Å; F61-P70 HydrophobicContact CD1-CB 3.64Å; F61-P70 HydrophobicContact CD1-CG 4.09Å; F61-P70 HydrophobicContact CE1-CB 3.8Å; F61-P70 HydrophobicContact CE1-CG 3.87Å; F61-P70 HydrophobicContact CG-CB 4.08Å; F61-P70 HydrophobicContact CZ-CB 4.35Å; P70-L94 HydrophobicContact CG-CD2 4.28Å; P70-I120 HydrophobicContact CG-CD1 3.45Å; P70-I120 VanDerWaalsContact CG-CD1 3.45Å
71K98.5Very high97.7Very high166 Ų16648.9 Ų48.972%0.72223%0.233SC*.EExtended strand (participates in β ladder)trans-94.6138.5164.6-65.3-175.7178.8-174.10109.5L59 T60L59-K71 CarbonylContact C-O 3.44Å; L59-K71 WeakPolarHBondContact CA-O 3.44Å; T60-K71 PolarHBondContact N-O 2.89Å; T60-K71 PolarHBondContact O-N 3.36Å
72M98.6Very high97.6Very high4 Ų448.6 Ų48.62%0.0223%0.232CC..EExtended strand (participates in β ladder)trans-115.9136.1175.1-174.2177.7175.700110.9I42 A57 H58 L59 F74 V89 L94 M121 V124I42-M72 HydrophobicContact CD1-CE 3.45Å; I42-M72 VanDerWaalsContact CD1-CE 3.45Å; A57-M72 HydrophobicContact CB-CE 3.56Å; A57-M72 HydrophobicContact CB-CG 4.43Å; H58-M72 CarbonylContact O-C 3.6Å; H58-M72 VanDerWaalsContact O-CA 3.32Å; H58-M72 WeakPolarHBondContact O-CA 3.48Å; L59-M72 HydrophobicContact CD2-CB 3.93Å; L59-M72 HydrophobicContact CD2-CG 4.32Å; L59-M72 HydrophobicContact CG-CG 4.47Å; M72-F74 HydrophobicContact CE-CE1 4.42Å; M72-F74 HydrophobicContact CE-CE2 4.5Å; M72-F74 HydrophobicContact CE-CZ 4.16Å; M72-V89 HydrophobicContact CB-CB 4.19Å; M72-V89 HydrophobicContact CB-CG2 4.2Å; M72-V89 HydrophobicContact CE-CG2 4.49Å; M72-V89 HydrophobicContact CG-CB 4.36Å; M72-V89 HydrophobicContact CG-CG2 3.88Å; M72-V89 PolarHBondContact O-N 2.71Å; M72-V89 HydrophobicContact SD-CG2 4.13Å; M72-L94 HydrophobicContact CB-CD1 3.75Å; M72-M121 HydrophobicContact CE-CE 4.03Å; M72-M121 HydrophobicContact CE-SD 4.45Å; M72-M121 HydrophobicContact SD-CE 3.72Å; M72-V124 HydrophobicContact CE-CG1 4.04Å; M72-V124 HydrophobicContact CE-CG2 4.06Å; M72-V124 HydrophobicContact SD-CG2 3.54Å; M72-V124 VanDerWaalsContact SD-CG2 3.54Å
73K98.7Very high97.6Very high82 Ų8247.1 Ų47.136%0.35722%0.222SC..EExtended strand (participates in β ladder)trans-139.4122.2-179.5-173.9175.7-161.1174.60111.3A57 H58 I75 N86 G87 D88A57-K73 CarbonylContact C-O 3.59Å; A57-K73 WeakPolarHBondContact CA-O 3.3Å; A57-K73 WeakPolarHBondContact CB-O 3.25Å; H58-K73 PolarHBondContact N-O 2.82Å; H58-K73 PolarHBondContact O-N 2.86Å; K73-I75 PolarHBondContact O-N 3.01Å; K73-N86 WeakPolarHBondContact CE-O 3.39Å; K73-N86 PolarHBondContact NZ-O 2.81Å; K73-G87 CarbonylContact C-O 3.52Å; K73-G87 WeakPolarHBondContact CA-O 3.33Å; K73-D88 WeakPolarHBondContact CD-OD1 3.25Å; K73-D88 WeakPolarHBondContact CG-OD1 3.47Å
74F98.6Very high97.7Very high7 Ų743.5 Ų43.53%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-66.9131.6168.3-77.4-73.5000110.6I42 F55 A57 M72 I78 V83 G87 V89 V124I42-F74 HydrophobicContact CD1-CE1 3.98Å; I42-F74 HydrophobicContact CD1-CZ 4.17Å; F55-F74 HydrophobicContact CB-CD1 3.97Å; F55-F74 HydrophobicContact CB-CE1 3.68Å; A57-F74 HydrophobicContact CB-CD1 3.91Å; A57-F74 HydrophobicContact CB-CE1 4.22Å; A57-F74 HydrophobicContact CB-CG 4.43Å; M72-F74 HydrophobicContact CE-CE1 4.42Å; M72-F74 HydrophobicContact CE-CE2 4.5Å; M72-F74 HydrophobicContact CE-CZ 4.16Å; F74-I78 HydrophobicContact CB-CG2 4Å; F74-I78 HydrophobicContact CD2-CG2 3.83Å; F74-I78 HydrophobicContact CE1-CD1 4.41Å; F74-I78 HydrophobicContact CE2-CD1 4.29Å; F74-I78 HydrophobicContact CE2-CG2 4.48Å; F74-I78 HydrophobicContact CG-CG2 3.91Å; F74-I78 HydrophobicContact CZ-CD1 4.2Å; F74-V83 HydrophobicContact CD2-CG1 3.91Å; F74-V83 HydrophobicContact CD2-CG2 3.87Å; F74-V83 HydrophobicContact CE2-CG2 3.85Å; F74-G87 PolarHBondContact N-O 2.88Å; F74-V89 HydrophobicContact CD2-CG2 3.53Å; F74-V89 HydrophobicContact CE2-CG2 3.57Å; F74-V124 HydrophobicContact CZ-CG1 4.09Å
75I98.1Very high97.6Very high80 Ų8047.5 Ų47.541%0.4122%0.223SC..SBendtrans-94.6-37.7172.3-53.9-54.6000109.6K56 H58 K73K56-I75 HydrophobicContact CB-CB 4.4Å; K56-I75 HydrophobicContact CD-CB 4.32Å; K56-I75 HydrophobicContact CD-CG2 4.38Å; K56-I75 HydrophobicContact CG-CB 4.13Å; K56-I75 HydrophobicContact CG-CG1 4.37Å; K56-I75 PolarHBondContact O-N 2.87Å; H58-I75 HydrophobicContact CB-CD1 4.48Å; H58-I75 WeakPolarHBondContact ND1-CD1 3.41Å; K73-I75 PolarHBondContact O-N 3.01Å
76T97.6Very high97.5Very high22 Ų2250.8 Ų50.814%0.13524%0.241CC..SBendtrans-69.5133.1168.6-58.10000109.9F55 K56 I78 S164F55-T76 HydrophobicContact CD1-CG2 3.76Å; F55-T76 HydrophobicContact CE1-CG2 4.38Å; K56-T76 WeakPolarHBondContact CB-OG1 3.21Å; K56-T76 PolarHBondContact N-OG1 3.34Å; K56-T76 PolarHBondContact O-N 3.16Å; K56-T76 VanDerWaalsContact O-N 3.16Å; T76-I78 PolarHBondContact O-N 3.3Å; T76-S164 VanDerWaalsContact CG2-CB 3.44Å
77D96.9Very high97.6Very high94 Ų9450.6 Ų50.650%0.50324%0.242SC..  trans-56.4124.1173.8-70.3-26.7000111C160 K163D77-C160 WeakPolarHBondContact O-CB 3.36Å; D77-K163 IonicContact OD2-NZ 3.1Å; D77-K163 PolarHBondContact OD2-NZ 2.85Å
78I97.9Very high97.7Very high22 Ų2248 Ų4811%0.11323%0.229CC..  trans-133.6141.9178.2-164.9169.5000110.7Y50 F55 F74 T76 H80 V83 L128Y50-I78 HydrophobicContact CD1-CD1 4.14Å; Y50-I78 HydrophobicContact CD1-CG1 4.29Å; Y50-I78 HydrophobicContact CE1-CD1 3.99Å; Y50-I78 HydrophobicContact CE1-CG1 3.85Å; F55-I78 HydrophobicContact CD1-CB 4.43Å; F55-I78 HydrophobicContact CD1-CD1 4.06Å; F55-I78 HydrophobicContact CD1-CG1 4.33Å; F55-I78 HydrophobicContact CE1-CB 4.48Å; F55-I78 HydrophobicContact CE1-CD1 4.14Å; F55-I78 HydrophobicContact CE1-CG1 4.13Å; F55-I78 HydrophobicContact CG-CD1 4.37Å; F74-I78 HydrophobicContact CB-CG2 4Å; F74-I78 HydrophobicContact CD2-CG2 3.83Å; F74-I78 HydrophobicContact CE1-CD1 4.41Å; F74-I78 HydrophobicContact CE2-CD1 4.29Å; F74-I78 HydrophobicContact CE2-CG2 4.48Å; F74-I78 HydrophobicContact CG-CG2 3.91Å; F74-I78 HydrophobicContact CZ-CD1 4.2Å; T76-I78 PolarHBondContact O-N 3.3Å; I78-H80 HydrophobicContact CG1-CB 4.4Å; I78-V83 HydrophobicContact CG2-CB 4.12Å; I78-V83 HydrophobicContact CG2-CG1 3.68Å; I78-V83 HydrophobicContact CG2-CG2 4.23Å; I78-L128 HydrophobicContact CD1-CD2 3.72Å
79W98.1Very high97.7Very high43 Ų4343.3 Ų43.316%0.16321%0.212CC..  trans-105.7105.2173.6-169.9-109000108.7Y50 D140 A141 E144 F153 K156 V157Y50-W79 PolarHBondContact OH-O 3.47Å; W79-D140 HydrophobicContact CH2-CB 3.81Å; W79-D140 HydrophobicContact CZ2-CB 4.02Å; W79-A141 HydrophobicContact CD2-CB 4.08Å; W79-A141 HydrophobicContact CG-CB 4.44Å; W79-A141 HydrophobicContact CH2-CB 4.49Å; W79-A141 HydrophobicContact CZ2-CB 3.86Å; W79-E144 WeakPolarHBondContact CZ2-OE2 3.48Å; W79-E144 PolarHBondContact NE1-OE2 2.87Å; W79-F153 AromaticContact CD1-CD2 3.76Å; W79-F153 AromaticContact CD1-CE2 3.75Å; W79-F153 AromaticContact NE1-CD2 3.75Å; W79-K156 HydrophobicContact CB-CB 4.35Å; W79-K156 HydrophobicContact CD2-CD 4Å; W79-K156 HydrophobicContact CG-CB 3.97Å; W79-K156 HydrophobicContact CG-CD 4.25Å; W79-K156 HydrophobicContact CZ2-CD 4.02Å; W79-K156 VanDerWaalsContact CZ2-NZ 3.34Å; W79-V157 HydrophobicContact CB-CG2 4.3Å
80H98.2Very high97.6Very high0 Ų045 Ų450%022%0.224CC..  trans-152141.1-174-170.7-81.4000111.6Y50 I78 N82 V83 M127Y50-H80 AromaticContact CE2-CD2 3.84Å; Y50-H80 AromaticContact CZ-CD2 3.57Å; Y50-H80 PolarHBondContact OH-CD2 3.22Å; I78-H80 HydrophobicContact CG1-CB 4.4Å; H80-N82 VanDerWaalsContact C-N 3.35Å; H80-N82 PolarHBondContact CE1-OD1 3.44Å; H80-N82 VanDerWaalsContact CE1-OD1 3.28Å; H80-N82 PolarHBondContact ND1-N 3.46Å; H80-N82 PolarHBondContact O-N 3.39Å; H80-V83 HydrophobicContact CB-CB 4.03Å; H80-V83 HydrophobicContact CB-CG2 3.79Å; H80-V83 PolarHBondContact O-N 2.92Å; H80-M127 VanDerWaalsContact CE1-CG 3.41Å; H80-M127 WeakPolarHBondContact CE1-CG 3.27Å; H80-M127 PolarHBondContact NE2-O 2.88Å
81P97.8Very high97.3Very high1 Ų145.8 Ų45.81%0.00623%0.228CC..THydrogen-bonded Turntrans-57.4-39.6179.2-29.338.2000114.9P131 P136 A137 N138 A142 W145 F153P81-P131 HydrophobicContact CB-CB 4.06Å; P81-P131 HydrophobicContact CG-CB 3.65Å; P81-P131 HydrophobicContact CG-CG 4.2Å; P81-P136 CarbonylContact O-C 3.51Å; P81-P136 WeakPolarHBondContact O-CA 3.11Å; P81-A137 PolarHBondContact O-N 3.38Å; P81-N138 PolarHBondContact O-N 3.04Å; P81-A142 HydrophobicContact CB-CB 3.99Å; P81-W145 HydrophobicContact CG-CB 3.98Å; P81-W145 HydrophobicContact CG-CG 4.21Å; P81-F153 HydrophobicContact CG-CE2 4.33Å
82N97.5Very high97.1Very high2 Ų239.5 Ų39.51%0.01121%0.205CC..THydrogen-bonded Turntrans-94.314.4-178.7-51.6104.7000114.5H80 C90 I91 M127 N132H80-N82 VanDerWaalsContact C-N 3.35Å; H80-N82 PolarHBondContact CE1-OD1 3.44Å; H80-N82 VanDerWaalsContact CE1-OD1 3.28Å; H80-N82 PolarHBondContact ND1-N 3.46Å; H80-N82 PolarHBondContact O-N 3.39Å; N82-C90 PolarHBondContact O-N 3.46Å; N82-I91 HydrophobicContact CB-CG2 4.28Å; N82-M127 HydrophobicContact CB-CG 4.11Å; N82-M127 HydrophobicContact CB-SD 3.69Å; N82-N132 PolarHBondContact ND2-O 2.84Å; N82-N132 PolarHBondContact OD1-N 2.94Å; N82-N132 PolarHBondContact OD1-O 3.46Å
83V98.1Very high96.9Very high1 Ų139.8 Ų39.81%0.00621%0.206CC..BIsolated β-bridgetrans-121.3122.2174.1-175.90000108.5F74 I78 H80 D88 V89 M127 N138F74-V83 HydrophobicContact CD2-CG1 3.91Å; F74-V83 HydrophobicContact CD2-CG2 3.87Å; F74-V83 HydrophobicContact CE2-CG2 3.85Å; I78-V83 HydrophobicContact CG2-CB 4.12Å; I78-V83 HydrophobicContact CG2-CG1 3.68Å; I78-V83 HydrophobicContact CG2-CG2 4.23Å; H80-V83 HydrophobicContact CB-CB 4.03Å; H80-V83 HydrophobicContact CB-CG2 3.79Å; H80-V83 PolarHBondContact O-N 2.92Å; V83-D88 WeakPolarHBondContact CA-O 3.47Å; V83-V89 HydrophobicContact CG2-CG2 4.39Å; V83-M127 HydrophobicContact CG2-CE 4.16Å; V83-N138 WeakPolarHBondContact O-CB 3.33Å
84D97.1Very high96.8Very high63 Ų6336.8 Ų36.834%0.33719%0.194SC..  trans-62.8158.4176.7-169.4-57000110.3N86 G87 D88 A137D84-N86 WeakPolarHBondContact CB-OD1 3.21Å; D84-N86 PolarHBondContact O-N 3.17Å; D84-N86 VanDerWaalsContact O-N 3.15Å; D84-N86 PolarHBondContact OD1-N 2.89Å; D84-G87 WeakPolarHBondContact O-CA 3.47Å; D84-G87 PolarHBondContact O-N 3.19Å; D84-D88 HydrophobicContact CB-CB 4.38Å; D84-D88 PolarHBondContact N-O 3.19Å; D84-A137 HydrophobicContact CB-CB 4.32Å
85K94.6Very high96.6Very high150 Ų15039 Ų3965%0.65220%0.204SC*.THydrogen-bonded Turntrans-56.5-26.4173.7-60.8-176.3179.6-179.10112.7G87 D140K85-G87 VanDerWaalsContact C-N 3.29Å; K85-D140 WeakPolarHBondContact CE-OD2 3.42Å; K85-D140 IonicContact NZ-OD2 3.74Å; K85-D140 PolarHBondContact NZ-OD2 2.87Å
86N95.6Very high96.4Very high76 Ų7638.6 Ų38.641%0.40620%0.201SC..THydrogen-bonded Turntrans-81-6.9175.577.9-3.6000113.6K73 D84 D88K73-N86 WeakPolarHBondContact CE-O 3.39Å; K73-N86 PolarHBondContact NZ-O 2.81Å; D84-N86 WeakPolarHBondContact CB-OD1 3.21Å; D84-N86 PolarHBondContact O-N 3.17Å; D84-N86 VanDerWaalsContact O-N 3.15Å; D84-N86 PolarHBondContact OD1-N 2.89Å; N86-D88 PolarHBondContact ND2-OD2 3.32Å; N86-D88 VanDerWaalsContact OD1-CB 3.26Å; N86-D88 WeakPolarHBondContact OD1-CB 3.06Å; N86-D88 PolarHBondContact OD1-N 3.32Å; N86-D88 PolarHBondContact OD1-OD2 3.18Å
87G97.7Very high96.2Very high9 Ų940.7 Ų40.79%0.09321%0.214CC..SBendtrans98.3-7.5-178.500000115.4K73 F74 D84 K85 V89K73-G87 CarbonylContact C-O 3.52Å; K73-G87 WeakPolarHBondContact CA-O 3.33Å; F74-G87 PolarHBondContact N-O 2.88Å; D84-G87 WeakPolarHBondContact O-CA 3.47Å; D84-G87 PolarHBondContact O-N 3.19Å; K85-G87 VanDerWaalsContact C-N 3.29Å; G87-V89 PolarHBondContact O-N 2.93Å
88D98.1Very high95.8Very high62 Ų6238 Ų3833%0.33221%0.209SC..BIsolated β-bridgetrans-65.7132.8-179.2-67-22000110.6K73 V83 D84 N86K73-D88 WeakPolarHBondContact CD-OD1 3.25Å; K73-D88 WeakPolarHBondContact CG-OD1 3.47Å; V83-D88 WeakPolarHBondContact CA-O 3.47Å; D84-D88 HydrophobicContact CB-CB 4.38Å; D84-D88 PolarHBondContact N-O 3.19Å; N86-D88 PolarHBondContact ND2-OD2 3.32Å; N86-D88 VanDerWaalsContact OD1-CB 3.26Å; N86-D88 WeakPolarHBondContact OD1-CB 3.06Å; N86-D88 PolarHBondContact OD1-N 3.32Å; N86-D88 PolarHBondContact OD1-OD2 3.18Å
89V97.9Very high95.2Very high12 Ų1245.1 Ų45.17%0.07324%0.242CC..BIsolated β-bridgetrans-91.7127.4-178.9-175.60000109.8M72 F74 V83 G87 I91 L94 M127M72-V89 HydrophobicContact CB-CB 4.19Å; M72-V89 HydrophobicContact CB-CG2 4.2Å; M72-V89 HydrophobicContact CE-CG2 4.49Å; M72-V89 HydrophobicContact CG-CB 4.36Å; M72-V89 HydrophobicContact CG-CG2 3.88Å; M72-V89 PolarHBondContact O-N 2.71Å; M72-V89 HydrophobicContact SD-CG2 4.13Å; F74-V89 HydrophobicContact CD2-CG2 3.53Å; F74-V89 HydrophobicContact CE2-CG2 3.57Å; V83-V89 HydrophobicContact CG2-CG2 4.39Å; G87-V89 PolarHBondContact O-N 2.93Å; V89-I91 HydrophobicContact CG1-CD1 4.37Å; V89-I91 HydrophobicContact CG1-CG1 4.16Å; V89-I91 HydrophobicContact CG1-CG2 4.42Å; V89-L94 HydrophobicContact CB-CD1 4.29Å; V89-L94 HydrophobicContact CG1-CD1 4.27Å; V89-M127 HydrophobicContact CG1-CE 4.47Å; V89-M127 HydrophobicContact CG1-SD 4.03Å
90C94.8Very high94.4Very high47 Ų4744.5 Ų44.532%0.31824%0.242SC..  trans-118.793.5-179.7-59.50000110.5N82 A137N82-C90 PolarHBondContact O-N 3.46Å; C90-A137 HydrophobicContact CB-CB 3.95Å
91I93.8Very high93.6Very high19 Ų1953 Ų5310%0.09728%0.278CS..  trans-135.1151.3174.354.8175.3000109.6N82 V89 I93 L94 V124 M127N82-I91 HydrophobicContact CB-CG2 4.28Å; V89-I91 HydrophobicContact CG1-CD1 4.37Å; V89-I91 HydrophobicContact CG1-CG1 4.16Å; V89-I91 HydrophobicContact CG1-CG2 4.42Å; I91-I93 VanDerWaalsContact C-N 3.29Å; I91-I93 HydrophobicContact CD1-CG2 3.58Å; I91-I93 HydrophobicContact CG1-CG2 3.8Å; I91-I93 PolarHBondContact O-N 3.11Å; I91-I93 VanDerWaalsContact O-N 3.16Å; I91-L94 HydrophobicContact CD1-CD1 4.4Å; I91-L94 HydrophobicContact CD1-CG 4.5Å; I91-L94 HydrophobicContact CG1-CB 4.43Å; I91-L94 HydrophobicContact CG1-CD1 3.95Å; I91-L94 HydrophobicContact CG1-CG 3.99Å; I91-L94 PolarHBondContact O-N 2.82Å; I91-V124 HydrophobicContact CD1-CG2 3.84Å; I91-M127 HydrophobicContact CG2-CB 4.23Å; I91-M127 HydrophobicContact CG2-CG 3.77Å; I91-M127 HydrophobicContact CG2-SD 3.35Å; I91-M127 WeakPolarHBondContact CG2-SD 3.32Å
92S93.1Very high92.8Very high34 Ų3460.7 Ų60.724%0.23831%0.309CS..G310 helixtrans-52.4-42.9-170.666.30000113.3L94 H95 E105 E109 R110S92-L94 PolarHBondContact O-N 3.05Å; S92-H95 WeakPolarHBondContact O-CB 3.29Å; S92-H95 PolarHBondContact O-N 3.09Å; S92-E105 WeakPolarHBondContact CA-OE1 3.31Å; S92-E105 VanDerWaalsContact CB-OE1 3.27Å; S92-E105 WeakPolarHBondContact CB-OE1 3.49Å; S92-E109 CarbonylContact C-O 3.21Å; S92-E109 WeakPolarHBondContact CB-O 3.19Å; S92-E109 PolarHBondContact OG-O 3.16Å; S92-R110 VanDerWaalsContact O-CA 3.31Å; S92-R110 WeakPolarHBondContact O-CA 3.32Å
93I95.4Very high91.9Very high9 Ų963.6 Ų63.65%0.04634%0.339CS..G310 helixtrans-58.2-24.1178.5-169.3169000113I91 E109 W111 H115 I120I91-I93 VanDerWaalsContact C-N 3.29Å; I91-I93 HydrophobicContact CD1-CG2 3.58Å; I91-I93 HydrophobicContact CG1-CG2 3.8Å; I91-I93 PolarHBondContact O-N 3.11Å; I91-I93 VanDerWaalsContact O-N 3.16Å; I93-E109 PolarHBondContact N-O 3.23Å; I93-W111 HydrophobicContact CG1-CE3 4.49Å; I93-W111 VanDerWaalsContact O-CE3 3.28Å; I93-H115 HydrophobicContact CD1-CB 4.35Å; I93-I120 HydrophobicContact CD1-CG1 4.36Å
94L96.3Very high91Very high19 Ų1970.6 Ų70.610%0.09937%0.366CS..G310 helixtrans-95-0.6177.2-63.3179.5000113.4P69 P70 M72 V89 I91 S92 I120P69-L94 VanDerWaalsContact CG-O 3.23Å; P69-L94 WeakPolarHBondContact CG-O 3.44Å; P70-L94 HydrophobicContact CG-CD2 4.28Å; M72-L94 HydrophobicContact CB-CD1 3.75Å; V89-L94 HydrophobicContact CB-CD1 4.29Å; V89-L94 HydrophobicContact CG1-CD1 4.27Å; I91-L94 HydrophobicContact CD1-CD1 4.4Å; I91-L94 HydrophobicContact CD1-CG 4.5Å; I91-L94 HydrophobicContact CG1-CB 4.43Å; I91-L94 HydrophobicContact CG1-CD1 3.95Å; I91-L94 HydrophobicContact CG1-CG 3.99Å; I91-L94 PolarHBondContact O-N 2.82Å; S92-L94 PolarHBondContact O-N 3.05Å; L94-I120 HydrophobicContact CD2-CD1 4.2Å; L94-I120 HydrophobicContact CD2-CG1 4.3Å; L94-I120 HydrophobicContact CD2-CG2 3.8Å; L94-I120 HydrophobicContact CG-CG2 4.44Å
95H94.6Very high90.4Very high54 Ų5468.8 Ų68.825%0.2536%0.356CS..SBendtrans-83146.3175.3-62.6167.2000111.1S92 E105 W111S92-H95 WeakPolarHBondContact O-CB 3.29Å; S92-H95 PolarHBondContact O-N 3.09Å; H95-E105 IonicContact CE1-OE1 3.87Å; H95-E105 PolarHBondContact CE1-OE1 3.09Å; H95-E105 IonicContact CE1-OE2 3.81Å; H95-E105 IonicContact CG-OE2 3.73Å; H95-E105 IonicContact ND1-OE1 3.51Å; H95-E105 PolarHBondContact ND1-OE1 3.29Å; H95-E105 IonicContact ND1-OE2 2.97Å; H95-E105 PolarHBondContact ND1-OE2 3.39Å; H95-W111 WeakPolarHBondContact O-CB 3.15Å; H95-W111 PolarHBondContact O-N 3.5Å; H95-W111 VanDerWaalsContact O-N 3.09Å
96E94.1Very high90.1Very high72 Ų7267.5 Ų67.534%0.33635%0.35SS..PPolyproline II helixtrans-51.7147.8179.1-65.9-6916100112.2R68 R110R68-E96 WeakPolarHBondContact CG-OE2 3.49Å; R68-E96 IonicContact CZ-OE1 2.91Å; R68-E96 IonicContact CZ-OE2 3.82Å; R68-E96 VanDerWaalsContact NE-CD 3.32Å; R68-E96 IonicContact NE-OE1 2.75Å; R68-E96 PolarHBondContact NE-OE1 3.3Å; R68-E96 IonicContact NE-OE2 2.67Å; R68-E96 PolarHBondContact NE-OE2 2.98Å; R68-E96 IonicContact NH2-OE1 2.59Å; R68-E96 PolarHBondContact NH2-OE1 3.39Å; R68-E96 IonicContact NH2-OE2 3.21Å; E96-R110 PolarHBondContact O-NE 3.16Å; E96-R110 PolarHBondContact O-NH1 3.15Å; E96-R110 PolarHBondContact O-NH2 2.96Å; E96-R110 VanDerWaalsContact O-NH2 3.14Å
97P91.8Very high89.6Confident65 Ų6566.4 Ų66.442%0.42235%0.347SS..SBendtrans-61.7155.2178.225.9-34.5000112.3W111P97-W111 WeakPolarHBondContact CB-O 3.42Å
98G89.4Confident89.1Confident37 Ų3772.4 Ų72.438%0.38137%0.373SS..SBendtrans109.1-170.4174.400000113.4R110G98-R110 VanDerWaalsContact O-CD 3.32Å; G98-R110 WeakPolarHBondContact O-CD 3.41Å; G98-R110 PolarHBondContact O-NH1 3.19Å
99E84.6Confident88.7Confident173 Ų17373.7 Ų73.781%0.80838%0.377SS*.  trans-71.8134.7-179.1-64.6-177.7171.900111.1K101 P107 R110E99-K101 PolarHBondContact O-N 2.91Å; E99-P107 HydrophobicContact CG-CG 4.25Å; E99-R110 VanDerWaalsContact C-NH1 3.33Å; E99-R110 PolarHBondContact O-NH1 2.8Å; E99-R110 VanDerWaalsContact O-NH1 3.15Å
100D83.1Confident88.5Confident30 Ų3074.6 Ų74.616%0.1638%0.379CS..  trans-69.7128.7169174.330.5000109.3Y102 G103 Y104 E105D100-Y102 PolarHBondContact O-N 3.38Å; D100-Y102 VanDerWaalsContact O-N 3.16Å; D100-Y102 PolarHBondContact OD1-N 2.89Å; D100-Y102 PolarHBondContact OD2-N 3.33Å; D100-G103 PolarHBondContact O-N 3.08Å; D100-G103 VanDerWaalsContact O-N 3.17Å; D100-G103 PolarHBondContact OD2-N 3.27Å; D100-Y104 PolarHBondContact OD2-N 3.02Å; D100-E105 HydrophobicContact CB-CB 4.2Å
101K80.1Confident88.6Confident178 Ų17872.3 Ų72.377%0.77436%0.364SS*.THydrogen-bonded Turntrans-58.7-29.6179.4-178.6-179.7176.3-1760112.1E99E99-K101 PolarHBondContact O-N 2.91Å
102Y80.9Confident88.7Confident163 Ų16374.3 Ų74.364%0.63937%0.374SS*.THydrogen-bonded Turntrans-99-8.1-176.2-56.3-76.3000113.4D100 Y104D100-Y102 PolarHBondContact O-N 3.38Å; D100-Y102 VanDerWaalsContact O-N 3.16Å; D100-Y102 PolarHBondContact OD1-N 2.89Å; D100-Y102 PolarHBondContact OD2-N 3.33Å; Y102-Y104 VanDerWaalsContact C-N 3.3Å; Y102-Y104 VanDerWaalsContact CB-CD2 3.4Å; Y102-Y104 HydrophobicContact CG-CD2 4.39Å; Y102-Y104 HydrophobicContact CG-CE2 4.14Å; Y102-Y104 PolarHBondContact O-N 3.05Å
103G79.2Confident88.9Confident63 Ų6376 Ų7665%0.64938%0.384SS*.SBendtrans7120177.600000114.7D100D100-G103 PolarHBondContact O-N 3.08Å; D100-G103 VanDerWaalsContact O-N 3.17Å; D100-G103 PolarHBondContact OD2-N 3.27Å
104Y79.3Confident88.9Confident148 Ų14881.9 Ų81.958%0.5842%0.415SS*.SBendtrans-78.5-27.6176.2-65-62.3000112.3D100 Y102D100-Y104 PolarHBondContact OD2-N 3.02Å; Y102-Y104 VanDerWaalsContact C-N 3.3Å; Y102-Y104 VanDerWaalsContact CB-CD2 3.4Å; Y102-Y104 HydrophobicContact CG-CD2 4.39Å; Y102-Y104 HydrophobicContact CG-CE2 4.14Å; Y102-Y104 PolarHBondContact O-N 3.05Å
105E84.8Confident89Confident24 Ų2482.5 Ų82.511%0.11242%0.417CS..SBendtrans-124.2138.1-172.7-57.8175.3152.200110.7S92 H95 D100 R110S92-E105 WeakPolarHBondContact CA-OE1 3.31Å; S92-E105 VanDerWaalsContact CB-OE1 3.27Å; S92-E105 WeakPolarHBondContact CB-OE1 3.49Å; H95-E105 IonicContact CE1-OE1 3.87Å; H95-E105 PolarHBondContact CE1-OE1 3.09Å; H95-E105 IonicContact CE1-OE2 3.81Å; H95-E105 IonicContact CG-OE2 3.73Å; H95-E105 IonicContact ND1-OE1 3.51Å; H95-E105 PolarHBondContact ND1-OE1 3.29Å; H95-E105 IonicContact ND1-OE2 2.97Å; H95-E105 PolarHBondContact ND1-OE2 3.39Å; D100-E105 HydrophobicContact CB-CB 4.2Å; E105-R110 HydrophobicContact CB-CG 4.15Å; E105-R110 IonicContact OE2-NE 2.94Å
106K86.7Confident89.1Confident124 Ų12481.8 Ų81.854%0.53942%0.416SS..  trans-75.9149.8170.5-61.4178-174.8168.20110E108 E109K106-E108 PolarHBondContact O-N 3.37Å; K106-E108 VanDerWaalsContact O-N 3.11Å; K106-E109 HydrophobicContact CB-CG 4.15Å; K106-E109 PolarHBondContact N-OE2 3.32Å; K106-E109 WeakPolarHBondContact O-CB 3.38Å; K106-E109 PolarHBondContact O-N 2.82Å
107P86.3Confident89.3Confident53 Ų5378.4 Ų78.434%0.34440%0.4SS..G310 helixtrans-54.5-31.8174.7-26.835.7000113.7E99 E109 R110E99-P107 HydrophobicContact CG-CG 4.25Å; P107-E109 VanDerWaalsContact C-N 3.29Å; P107-E109 PolarHBondContact O-N 2.9Å; P107-R110 PolarHBondContact O-N 3.34Å
108E88Confident89.6Confident135 Ų13578.9 Ų78.963%0.63140%0.397SS*.G310 helixtrans-72.7-18.8177.8-49.893.6-132.700114K106K106-E108 PolarHBondContact O-N 3.37Å; K106-E108 VanDerWaalsContact O-N 3.11Å
109E88.6Confident89.9Confident89 Ų8979.2 Ų79.242%0.41639%0.392SS..G310 helixtrans-87.1-12.6177.1-64.5168.4151.800111.9S92 I93 K106 P107S92-E109 CarbonylContact C-O 3.21Å; S92-E109 WeakPolarHBondContact CB-O 3.19Å; S92-E109 PolarHBondContact OG-O 3.16Å; I93-E109 PolarHBondContact N-O 3.23Å; K106-E109 HydrophobicContact CB-CG 4.15Å; K106-E109 PolarHBondContact N-OE2 3.32Å; K106-E109 WeakPolarHBondContact O-CB 3.38Å; K106-E109 PolarHBondContact O-N 2.82Å; P107-E109 VanDerWaalsContact C-N 3.29Å; P107-E109 PolarHBondContact O-N 2.9Å
110R93.8Very high90.6Very high30 Ų3071 Ų7111%0.11335%0.354CS..SBendtrans-92.8179.7-179-59.2-178.286.1-158.31.5111.9S92 E96 G98 E99 E105 P107 L112S92-R110 VanDerWaalsContact O-CA 3.31Å; S92-R110 WeakPolarHBondContact O-CA 3.32Å; E96-R110 PolarHBondContact O-NE 3.16Å; E96-R110 PolarHBondContact O-NH1 3.15Å; E96-R110 PolarHBondContact O-NH2 2.96Å; E96-R110 VanDerWaalsContact O-NH2 3.14Å; G98-R110 VanDerWaalsContact O-CD 3.32Å; G98-R110 WeakPolarHBondContact O-CD 3.41Å; G98-R110 PolarHBondContact O-NH1 3.19Å; E99-R110 VanDerWaalsContact C-NH1 3.33Å; E99-R110 PolarHBondContact O-NH1 2.8Å; E99-R110 VanDerWaalsContact O-NH1 3.15Å; E105-R110 HydrophobicContact CB-CG 4.15Å; E105-R110 IonicContact OE2-NE 2.94Å; P107-R110 PolarHBondContact O-N 3.34Å; R110-L112 PolarHBondContact O-N 3.23Å
111W97.2Very high91.3Very high0 Ų069.6 Ų69.60%035%0.346CS..  trans-59.6121.7-177.7179.8-103.3000112.7Y65 P66 P69 I93 H95 P97 H115 I120Y65-W111 HydrophobicContact CD2-CH2 4.46Å; Y65-W111 HydrophobicContact CD2-CZ2 4.03Å; Y65-W111 AromaticContact CE2-CH2 3.59Å; Y65-W111 HydrophobicContact CE2-CH2 3.59Å; Y65-W111 AromaticContact CE2-CZ2 3.48Å; Y65-W111 HydrophobicContact CE2-CZ2 3.48Å; Y65-W111 VanDerWaalsContact CE2-CZ2 3.48Å; P66-W111 HydrophobicContact CB-CZ2 4.22Å; P66-W111 PolarHBondContact O-NE1 3.41Å; P69-W111 HydrophobicContact CB-CB 3.92Å; P69-W111 HydrophobicContact CB-CD2 3.53Å; P69-W111 HydrophobicContact CB-CE3 3.72Å; P69-W111 HydrophobicContact CB-CG 3.63Å; P69-W111 HydrophobicContact CB-CZ3 4.44Å; P69-W111 HydrophobicContact CG-CB 3.98Å; P69-W111 HydrophobicContact CG-CD2 4.41Å; P69-W111 HydrophobicContact CG-CG 3.99Å; I93-W111 HydrophobicContact CG1-CE3 4.49Å; I93-W111 VanDerWaalsContact O-CE3 3.28Å; H95-W111 WeakPolarHBondContact O-CB 3.15Å; H95-W111 PolarHBondContact O-N 3.5Å; H95-W111 VanDerWaalsContact O-N 3.09Å; P97-W111 WeakPolarHBondContact CB-O 3.42Å; W111-H115 HydrophobicContact CE3-CB 3.88Å; W111-H115 HydrophobicContact CH2-CB 3.74Å; W111-H115 WeakPolarHBondContact CH2-O 3.19Å; W111-H115 HydrophobicContact CZ3-CB 3.39Å; W111-I120 HydrophobicContact CH2-CD1 4.33Å; W111-I120 HydrophobicContact CZ3-CD1 3.85Å; W111-I120 HydrophobicContact CZ3-CG1 4.08Å
112L96.6Very high92Very high60 Ų6065.5 Ų65.531%0.31433%0.331SS..  trans-112.5142.7166.6-59.4175.4000110.3R110 I114 H115R110-L112 PolarHBondContact O-N 3.23Å; L112-I114 HydrophobicContact CB-CD1 4.43Å; L112-I114 HydrophobicContact CB-CG1 3.77Å; L112-I114 HydrophobicContact CD1-CD1 4.24Å; L112-I114 HydrophobicContact CD1-CG1 4.47Å; L112-I114 PolarHBondContact O-N 2.8Å; L112-H115 PolarHBondContact N-CD2 3.37Å; L112-H115 WeakPolarHBondContact O-CB 3.44Å; L112-H115 PolarHBondContact O-CD2 3.17Å; L112-H115 VanDerWaalsContact O-CD2 3.32Å; L112-H115 PolarHBondContact O-N 2.78Å
113P95.9Very high92.7Very high70 Ų7059.7 Ų59.746%0.45532%0.315SS..THydrogen-bonded Turntrans-59.8-8.2178.3-27.535.8000116.2P66P66-P113 HydrophobicContact CB-CB 4.24Å; P66-P113 HydrophobicContact CG-CB 4.08Å; P66-P113 WeakPolarHBondContact O-CA 3.49Å
114I96.2Very high93.6Very high133 Ų13356.7 Ų56.768%0.68228%0.284SS*.THydrogen-bonded Turntrans-80.8-16.4174.461.5170.4000112.8L112L112-I114 HydrophobicContact CB-CD1 4.43Å; L112-I114 HydrophobicContact CB-CG1 3.77Å; L112-I114 HydrophobicContact CD1-CD1 4.24Å; L112-I114 HydrophobicContact CD1-CG1 4.47Å; L112-I114 PolarHBondContact O-N 2.8Å
115H97.6Very high94.4Very high32 Ų3251.7 Ų51.715%0.14827%0.267CS..  trans-72.5137.8-179.2-65.3-47000111.7Y65 I93 W111 L112 T119Y65-H115 PolarHBondContact OH-O 2.87Å; Y65-H115 VanDerWaalsContact OH-O 3.1Å; I93-H115 HydrophobicContact CD1-CB 4.35Å; W111-H115 HydrophobicContact CE3-CB 3.88Å; W111-H115 HydrophobicContact CH2-CB 3.74Å; W111-H115 WeakPolarHBondContact CH2-O 3.19Å; W111-H115 HydrophobicContact CZ3-CB 3.39Å; L112-H115 PolarHBondContact N-CD2 3.37Å; L112-H115 WeakPolarHBondContact O-CB 3.44Å; L112-H115 PolarHBondContact O-CD2 3.17Å; L112-H115 VanDerWaalsContact O-CD2 3.32Å; L112-H115 PolarHBondContact O-N 2.78Å; H115-T119 WeakPolarHBondContact CA-OG1 3.35Å; H115-T119 WeakPolarHBondContact CB-OG1 3.32Å
116T97.4Very high94.8Very high39 Ų3954.1 Ų54.124%0.23929%0.286CS..  trans-110.9169.8178.764.40000110.4Q13 E118 T119 I120Q13-T116 VanDerWaalsContact OE1-CA 3.3Å; T116-E118 PolarHBondContact O-N 3.48Å; T116-E118 PolarHBondContact OG1-N 3Å; T116-T119 PolarHBondContact N-OG1 2.93Å; T116-T119 PolarHBondContact O-N 2.93Å; T116-T119 VanDerWaalsContact O-N 3.14Å; T116-T119 PolarHBondContact O-OG1 3.46Å; T116-T119 PolarHBondContact OG1-N 3.19Å; T116-I120 WeakPolarHBondContact O-CG1 3.29Å; T116-I120 PolarHBondContact O-N 3.05Å; T116-I120 VanDerWaalsContact O-N 3.08Å
117V97.7Very high95.2Very high0 Ų048.6 Ų48.60%026%0.263CS..Hα-helixtrans-51.1-44.8170178.40000111.2L17 A27 W38 L59 F61 T119 I120 M121L17-V117 HydrophobicContact CD1-CB 4.07Å; L17-V117 HydrophobicContact CD1-CG1 3.97Å; A27-V117 HydrophobicContact CB-CG1 4.37Å; W38-V117 HydrophobicContact CE3-CG1 4.47Å; W38-V117 HydrophobicContact CE3-CG2 4.41Å; W38-V117 HydrophobicContact CH2-CG2 4.23Å; W38-V117 HydrophobicContact CZ3-CG1 4.3Å; W38-V117 HydrophobicContact CZ3-CG2 4.05Å; L59-V117 HydrophobicContact CD1-CG1 3.94Å; F61-V117 HydrophobicContact CE1-CG2 4.01Å; F61-V117 HydrophobicContact CZ-CG2 3.57Å; V117-T119 PolarHBondContact O-N 2.99Å; V117-I120 WeakPolarHBondContact O-CB 3.38Å; V117-I120 PolarHBondContact O-N 2.88Å; V117-M121 HydrophobicContact CG1-CG 4.37Å; V117-M121 WeakPolarHBondContact O-CG 3.35Å; V117-M121 PolarHBondContact O-N 3.26Å
118E97.3Very high95.7Very high75 Ų7546.2 Ų46.235%0.3525%0.247SC..Hα-helixtrans-57.7-49177-178.5-178.8178.100112.3L17 V22 T116 I120 M121 I122L17-E118 HydrophobicContact CD2-CB 4.47Å; V22-E118 HydrophobicContact CG2-CG 4.04Å; T116-E118 PolarHBondContact O-N 3.48Å; T116-E118 PolarHBondContact OG1-N 3Å; E118-I120 VanDerWaalsContact C-N 3.28Å; E118-I120 PolarHBondContact O-N 3.16Å; E118-M121 PolarHBondContact O-N 2.87Å; E118-M121 VanDerWaalsContact O-N 3.09Å; E118-I122 HydrophobicContact CG-CD1 4.07Å; E118-I122 WeakPolarHBondContact O-CG1 3.41Å; E118-I122 PolarHBondContact O-N 2.97Å
119T97.1Very high95.9Very high45 Ų4542.2 Ų42.228%0.27624%0.237SC..Hα-helixtrans-62.8-34.7178.857.50000112.7H115 T116 V117 S123H115-T119 WeakPolarHBondContact CA-OG1 3.35Å; H115-T119 WeakPolarHBondContact CB-OG1 3.32Å; T116-T119 PolarHBondContact N-OG1 2.93Å; T116-T119 PolarHBondContact O-N 2.93Å; T116-T119 VanDerWaalsContact O-N 3.14Å; T116-T119 PolarHBondContact O-OG1 3.46Å; T116-T119 PolarHBondContact OG1-N 3.19Å; V117-T119 PolarHBondContact O-N 2.99Å; T119-S123 PolarHBondContact O-N 3.5Å; T119-S123 VanDerWaalsContact O-N 3.15Å; T119-S123 PolarHBondContact O-OG 3.41Å
120I97.9Very high96.1Very high0 Ų043.5 Ų43.50%025%0.247CC..Hα-helixtrans-64.6-45.7173.8-60.3165.1000109.8P70 I93 L94 W111 T116 V117 E118 I122 S123 V124P70-I120 HydrophobicContact CG-CD1 3.45Å; P70-I120 VanDerWaalsContact CG-CD1 3.45Å; I93-I120 HydrophobicContact CD1-CG1 4.36Å; L94-I120 HydrophobicContact CD2-CD1 4.2Å; L94-I120 HydrophobicContact CD2-CG1 4.3Å; L94-I120 HydrophobicContact CD2-CG2 3.8Å; L94-I120 HydrophobicContact CG-CG2 4.44Å; W111-I120 HydrophobicContact CH2-CD1 4.33Å; W111-I120 HydrophobicContact CZ3-CD1 3.85Å; W111-I120 HydrophobicContact CZ3-CG1 4.08Å; T116-I120 WeakPolarHBondContact O-CG1 3.29Å; T116-I120 PolarHBondContact O-N 3.05Å; T116-I120 VanDerWaalsContact O-N 3.08Å; V117-I120 WeakPolarHBondContact O-CB 3.38Å; V117-I120 PolarHBondContact O-N 2.88Å; E118-I120 VanDerWaalsContact C-N 3.28Å; E118-I120 PolarHBondContact O-N 3.16Å; I120-I122 VanDerWaalsContact C-N 3.34Å; I120-I122 PolarHBondContact O-N 3.36Å; I120-S123 WeakPolarHBondContact O-CB 3.31Å; I120-S123 PolarHBondContact O-N 2.72Å; I120-S123 VanDerWaalsContact O-N 3.17Å; I120-V124 HydrophobicContact CG2-CG2 4.35Å; I120-V124 WeakPolarHBondContact O-CG2 3.23Å; I120-V124 PolarHBondContact O-N 3.14Å
121M97.9Very high95.9Very high1 Ų142.4 Ų42.41%0.00524%0.244CC..Hα-helixtrans-64.7-38.5-179.1-65.4-54.39200112.3F25 V40 I42 L59 M72 V117 E118 S123 V124 I125F25-M121 HydrophobicContact CD1-CB 3.56Å; F25-M121 HydrophobicContact CD1-CG 4.01Å; F25-M121 HydrophobicContact CD2-CB 4.19Å; F25-M121 HydrophobicContact CD2-CG 3.68Å; F25-M121 HydrophobicContact CE1-CB 3.48Å; F25-M121 VanDerWaalsContact CE1-CB 3.48Å; F25-M121 HydrophobicContact CE1-CG 3.97Å; F25-M121 HydrophobicContact CE2-CB 4.14Å; F25-M121 HydrophobicContact CE2-CG 3.66Å; F25-M121 HydrophobicContact CG-CB 3.92Å; F25-M121 HydrophobicContact CG-CG 3.86Å; F25-M121 HydrophobicContact CZ-CB 3.79Å; F25-M121 HydrophobicContact CZ-CG 3.8Å; V40-M121 HydrophobicContact CB-SD 4.37Å; V40-M121 HydrophobicContact CG1-SD 3.65Å; V40-M121 HydrophobicContact CG2-SD 4.31Å; I42-M121 HydrophobicContact CD1-SD 4.15Å; I42-M121 HydrophobicContact CG1-SD 4.35Å; L59-M121 HydrophobicContact CD1-CE 3.9Å; M72-M121 HydrophobicContact CE-CE 4.03Å; M72-M121 HydrophobicContact CE-SD 4.45Å; M72-M121 HydrophobicContact SD-CE 3.72Å; V117-M121 HydrophobicContact CG1-CG 4.37Å; V117-M121 WeakPolarHBondContact O-CG 3.35Å; V117-M121 PolarHBondContact O-N 3.26Å; E118-M121 PolarHBondContact O-N 2.87Å; E118-M121 VanDerWaalsContact O-N 3.09Å; M121-S123 VanDerWaalsContact C-N 3.33Å; M121-S123 PolarHBondContact O-N 2.67Å; M121-V124 HydrophobicContact CE-CG2 4.18Å; M121-V124 PolarHBondContact O-N 2.94Å; M121-I125 WeakPolarHBondContact O-CB 3.47Å; M121-I125 VanDerWaalsContact O-CG1 3.31Å; M121-I125 WeakPolarHBondContact O-CG1 3.45Å; M121-I125 PolarHBondContact O-N 3.12Å
122I95.9Very high95.2Very high91 Ų9145.7 Ų45.747%0.46726%0.261SS..Hα-helixtrans-58.8-45.9172.5-67167.2000110.4E118 I120 V124 I125 S126E118-I122 HydrophobicContact CG-CD1 4.07Å; E118-I122 WeakPolarHBondContact O-CG1 3.41Å; E118-I122 PolarHBondContact O-N 2.97Å; I120-I122 VanDerWaalsContact C-N 3.34Å; I120-I122 PolarHBondContact O-N 3.36Å; I122-V124 PolarHBondContact O-N 3.2Å; I122-I125 PolarHBondContact O-N 3.41Å; I122-S126 WeakPolarHBondContact O-CB 3.13Å; I122-S126 PolarHBondContact O-N 3.15Å
123S95.9Very high94.2Very high42 Ų4244.7 Ų44.729%0.29427%0.265SS..Hα-helixtrans-63.4-38.2176.4-63.50000112.9T119 I120 M121 S126 M127T119-S123 PolarHBondContact O-N 3.5Å; T119-S123 VanDerWaalsContact O-N 3.15Å; T119-S123 PolarHBondContact O-OG 3.41Å; I120-S123 WeakPolarHBondContact O-CB 3.31Å; I120-S123 PolarHBondContact O-N 2.72Å; I120-S123 VanDerWaalsContact O-N 3.17Å; M121-S123 VanDerWaalsContact C-N 3.33Å; M121-S123 PolarHBondContact O-N 2.67Å; S123-S126 PolarHBondContact O-N 2.9Å; S123-M127 WeakPolarHBondContact O-CB 3.32Å; S123-M127 PolarHBondContact O-N 3.17Å
124V97.3Very high93.3Very high0 Ų047.4 Ų47.40%028%0.276CS..Hα-helixtrans-67.7-43176.9173.70000111.4I42 M72 F74 I91 I120 M121 I122 S126 M127 L128I42-V124 HydrophobicContact CD1-CG1 3.91Å; M72-V124 HydrophobicContact CE-CG1 4.04Å; M72-V124 HydrophobicContact CE-CG2 4.06Å; M72-V124 HydrophobicContact SD-CG2 3.54Å; M72-V124 VanDerWaalsContact SD-CG2 3.54Å; F74-V124 HydrophobicContact CZ-CG1 4.09Å; I91-V124 HydrophobicContact CD1-CG2 3.84Å; I120-V124 HydrophobicContact CG2-CG2 4.35Å; I120-V124 WeakPolarHBondContact O-CG2 3.23Å; I120-V124 PolarHBondContact O-N 3.14Å; M121-V124 HydrophobicContact CE-CG2 4.18Å; M121-V124 PolarHBondContact O-N 2.94Å; I122-V124 PolarHBondContact O-N 3.2Å; V124-S126 VanDerWaalsContact C-N 3.32Å; V124-S126 PolarHBondContact O-N 2.79Å; V124-M127 HydrophobicContact CG1-CE 4.21Å; V124-M127 WeakPolarHBondContact O-CB 3.37Å; V124-M127 PolarHBondContact O-N 2.86Å; V124-L128 WeakPolarHBondContact O-CG 3.42Å; V124-L128 PolarHBondContact O-N 3.43Å
125I95.7Very high92.6Very high42 Ų4243.3 Ų43.322%0.21526%0.259CS..Hα-helixtrans-60.1-45175.2-74.6169.7000110.1F25 I42 P45 M121 I122 M127 L128 A129F25-I125 HydrophobicContact CD1-CD1 4.33Å; I42-I125 HydrophobicContact CG2-CG1 4.24Å; P45-I125 HydrophobicContact CB-CG2 4.31Å; P45-I125 HydrophobicContact CG-CB 4.47Å; P45-I125 HydrophobicContact CG-CG2 3.8Å; M121-I125 WeakPolarHBondContact O-CB 3.47Å; M121-I125 VanDerWaalsContact O-CG1 3.31Å; M121-I125 WeakPolarHBondContact O-CG1 3.45Å; M121-I125 PolarHBondContact O-N 3.12Å; I122-I125 PolarHBondContact O-N 3.41Å; I125-M127 VanDerWaalsContact C-N 3.33Å; I125-M127 PolarHBondContact O-N 3.02Å; I125-L128 PolarHBondContact O-N 3.49Å; I125-A129 PolarHBondContact O-N 3.43Å
126S94.5Very high92.4Very high75 Ų7543.7 Ų43.752%0.52427%0.265SS..Hα-helixtrans-62.4-40.3174.9-170.10000112.2I122 S123 V124 L128 A129 D130I122-S126 WeakPolarHBondContact O-CB 3.13Å; I122-S126 PolarHBondContact O-N 3.15Å; S123-S126 PolarHBondContact O-N 2.9Å; V124-S126 VanDerWaalsContact C-N 3.32Å; V124-S126 PolarHBondContact O-N 2.79Å; S126-L128 VanDerWaalsContact C-N 3.33Å; S126-L128 PolarHBondContact O-N 2.9Å; S126-A129 PolarHBondContact O-N 2.98Å; S126-A129 VanDerWaalsContact O-N 3.17Å; S126-D130 PolarHBondContact O-N 3.16Å
127M95.1Very high92.2Very high9 Ų943.2 Ų43.24%0.04427%0.265CS..Hα-helixtrans-61.2-40.6177.3176.2-152.971.900111.5H80 N82 V83 V89 I91 S123 V124 I125 A129 D130H80-M127 VanDerWaalsContact CE1-CG 3.41Å; H80-M127 WeakPolarHBondContact CE1-CG 3.27Å; H80-M127 PolarHBondContact NE2-O 2.88Å; N82-M127 HydrophobicContact CB-CG 4.11Å; N82-M127 HydrophobicContact CB-SD 3.69Å; V83-M127 HydrophobicContact CG2-CE 4.16Å; V89-M127 HydrophobicContact CG1-CE 4.47Å; V89-M127 HydrophobicContact CG1-SD 4.03Å; I91-M127 HydrophobicContact CG2-CB 4.23Å; I91-M127 HydrophobicContact CG2-CG 3.77Å; I91-M127 HydrophobicContact CG2-SD 3.35Å; I91-M127 WeakPolarHBondContact CG2-SD 3.32Å; S123-M127 WeakPolarHBondContact O-CB 3.32Å; S123-M127 PolarHBondContact O-N 3.17Å; V124-M127 HydrophobicContact CG1-CE 4.21Å; V124-M127 WeakPolarHBondContact O-CB 3.37Å; V124-M127 PolarHBondContact O-N 2.86Å; I125-M127 VanDerWaalsContact C-N 3.33Å; I125-M127 PolarHBondContact O-N 3.02Å; M127-A129 PolarHBondContact O-N 3.1Å; M127-D130 CarbonylContact O-C 3.25Å; M127-D130 VanDerWaalsContact O-C 3.25Å; M127-D130 PolarHBondContact O-N 3.07Å
128L95.8Very high92.2Very high3 Ų343.5 Ų43.52%0.01627%0.266CS..Hα-helixtrans-64-31176.7-67.7178000112.6I42 P45 Y50 I78 V124 I125 S126I42-L128 HydrophobicContact CG2-CD1 4.26Å; P45-L128 HydrophobicContact CG-CB 4.23Å; P45-L128 HydrophobicContact CG-CD1 4.45Å; Y50-L128 HydrophobicContact CD1-CD2 4.24Å; Y50-L128 HydrophobicContact CD2-CB 4.03Å; Y50-L128 HydrophobicContact CD2-CD2 4.2Å; Y50-L128 WeakPolarHBondContact CD2-O 3.45Å; Y50-L128 HydrophobicContact CE1-CD2 4.36Å; Y50-L128 HydrophobicContact CE2-CD2 4.31Å; Y50-L128 VanDerWaalsContact CE2-O 3.29Å; Y50-L128 WeakPolarHBondContact CE2-O 3.44Å; Y50-L128 HydrophobicContact CG-CB 4.45Å; Y50-L128 HydrophobicContact CG-CD2 4.19Å; I78-L128 HydrophobicContact CD1-CD2 3.72Å; V124-L128 WeakPolarHBondContact O-CG 3.42Å; V124-L128 PolarHBondContact O-N 3.43Å; I125-L128 PolarHBondContact O-N 3.49Å; S126-L128 VanDerWaalsContact C-N 3.33Å; S126-L128 PolarHBondContact O-N 2.9Å
129A92.9Very high92.1Very high51 Ų5144.5 Ų44.542%0.42128%0.277SS..Hα-helixtrans-77.7-44.1176.400000112.1T48 I125 S126 M127T48-A129 HydrophobicContact CG2-CB 3.68Å; I125-A129 PolarHBondContact O-N 3.43Å; S126-A129 PolarHBondContact O-N 2.98Å; S126-A129 VanDerWaalsContact O-N 3.17Å; M127-A129 PolarHBondContact O-N 3.1Å
130D92.3Very high92Very high116 Ų11645.7 Ų45.762%0.6228%0.282SS*.SBendtrans-133.193.4-178.5-164.621.2000111.4S126 M127 N132S126-D130 PolarHBondContact O-N 3.16Å; M127-D130 CarbonylContact O-C 3.25Å; M127-D130 VanDerWaalsContact O-C 3.25Å; M127-D130 PolarHBondContact O-N 3.07Å; D130-N132 PolarHBondContact O-N 3.23Å
131P89.8Confident92Very high7 Ų745.7 Ų45.75%0.04528%0.282CS..  trans-62.6134.1178.4-22.232.3000112.4P81 G133 W145P81-P131 HydrophobicContact CB-CB 4.06Å; P81-P131 HydrophobicContact CG-CB 3.65Å; P81-P131 HydrophobicContact CG-CG 4.2Å; P131-G133 PolarHBondContact O-N 3.23Å; P131-W145 VanDerWaalsContact CD-CZ2 3.42Å; P131-W145 HydrophobicContact CG-CD2 4.12Å; P131-W145 HydrophobicContact CG-CE3 4.46Å; P131-W145 HydrophobicContact CG-CH2 4.24Å; P131-W145 HydrophobicContact CG-CZ2 3.89Å
132N82.4Confident91.9Very high68 Ų6845.8 Ų45.836%0.36428%0.283SS..  trans-73.5117.5174.3-177.8-16.9000110.3N82 D130 D134N82-N132 PolarHBondContact ND2-O 2.84Å; N82-N132 PolarHBondContact OD1-N 2.94Å; N82-N132 PolarHBondContact OD1-O 3.46Å; D130-N132 PolarHBondContact O-N 3.23Å; N132-D134 WeakPolarHBondContact OD1-CB 3.23Å; N132-D134 PolarHBondContact OD1-N 2.61Å
133G76.4Confident91.9Very high39 Ų3946.7 Ų46.740%0.40228%0.283SS..SBendtrans-85.6-12.1-178.800000115.8P131P131-G133 PolarHBondContact O-N 3.23Å
134D76.8Confident91.9Very high128 Ų12846.6 Ų46.668%0.68428%0.278SS*.SBendtrans-79.1-34.9-172.2-64.7-29000112.2N132N132-D134 WeakPolarHBondContact OD1-CB 3.23Å; N132-D134 PolarHBondContact OD1-N 2.61Å
135S81.8Confident91.8Very high46 Ų4647.9 Ų47.932%0.32228%0.283SS..SBendtrans-136.373.8179.8-70.20000112.1
136P91.6Very high91.7Very high41 Ų4154.2 Ų54.227%0.26630%0.304SS..  trans-76.1134.3-17930.5-34.1000112.3P81 A142P81-P136 CarbonylContact O-C 3.51Å; P81-P136 WeakPolarHBondContact O-CA 3.11Å; P136-A142 HydrophobicContact CB-CB 3.42Å; P136-A142 VanDerWaalsContact CB-CB 3.42Å; P136-A142 HydrophobicContact CG-CB 3.86Å
137A94.4Very high91.8Very high29 Ų2957.2 Ų57.224%0.2431%0.31CS..SBendtrans-76.4-34.2169.900000112P81 D84 C90P81-A137 PolarHBondContact O-N 3.38Å; D84-A137 HydrophobicContact CB-CB 4.32Å; C90-A137 HydrophobicContact CB-CB 3.95Å
138N96.7Very high91.8Very high5 Ų560.2 Ų60.23%0.02733%0.326CS..  trans-114.697176.6-178.1-13.4000110.2P81 V83 D140 A141 A142P81-N138 PolarHBondContact O-N 3.04Å; V83-N138 WeakPolarHBondContact O-CB 3.33Å; N138-D140 VanDerWaalsContact C-N 3.25Å; N138-D140 PolarHBondContact O-N 3.18Å; N138-D140 WeakPolarHBondContact OD1-CB 3.43Å; N138-D140 PolarHBondContact OD1-N 3.28Å; N138-A141 HydrophobicContact CB-CB 3.99Å; N138-A141 PolarHBondContact O-N 3.46Å; N138-A141 PolarHBondContact OD1-N 2.89Å; N138-A142 WeakPolarHBondContact O-CB 3.47Å; N138-A142 PolarHBondContact O-N 3.31Å
139V95.4Very high91.7Very high96 Ų9665 Ų6558%0.58234%0.344SS*.Hα-helixtrans-60.7-32.7-178.6-62.60000113.2K143V139-K143 WeakPolarHBondContact O-CB 2.75Å; V139-K143 PolarHBondContact O-N 3.47Å
140D96.2Very high91.8Very high71 Ų7169.6 Ų69.638%0.3836%0.356SS..Hα-helixtrans-69.9-46.8179-61.4-40.4000110W79 K85 N138 A142 K143 E144W79-D140 HydrophobicContact CH2-CB 3.81Å; W79-D140 HydrophobicContact CZ2-CB 4.02Å; K85-D140 WeakPolarHBondContact CE-OD2 3.42Å; K85-D140 IonicContact NZ-OD2 3.74Å; K85-D140 PolarHBondContact NZ-OD2 2.87Å; N138-D140 VanDerWaalsContact C-N 3.25Å; N138-D140 PolarHBondContact O-N 3.18Å; N138-D140 WeakPolarHBondContact OD1-CB 3.43Å; N138-D140 PolarHBondContact OD1-N 3.28Å; D140-A142 VanDerWaalsContact C-N 3.35Å; D140-K143 PolarHBondContact O-N 2.97Å; D140-E144 WeakPolarHBondContact O-CG 3.43Å; D140-E144 PolarHBondContact O-N 2.87Å
141A96.9Very high92Very high0 Ų065 Ų650%034%0.336CS..Hα-helixtrans-63.6-40.5175.700000111.6W79 N138 E144 W145 F153W79-A141 HydrophobicContact CD2-CB 4.08Å; W79-A141 HydrophobicContact CG-CB 4.44Å; W79-A141 HydrophobicContact CH2-CB 4.49Å; W79-A141 HydrophobicContact CZ2-CB 3.86Å; N138-A141 HydrophobicContact CB-CB 3.99Å; N138-A141 PolarHBondContact O-N 3.46Å; N138-A141 PolarHBondContact OD1-N 2.89Å; A141-E144 PolarHBondContact O-N 2.85Å; A141-W145 VanDerWaalsContact O-CB 3.3Å; A141-W145 WeakPolarHBondContact O-CB 3.45Å; A141-W145 PolarHBondContact O-N 2.92Å; A141-F153 HydrophobicContact CB-CE2 4.29Å; A141-F153 WeakPolarHBondContact O-CD2 3.47Å; A141-F153 WeakPolarHBondContact O-CE2 3.49Å
142A96.1Very high92.4Very high3 Ų365.5 Ų65.53%0.02534%0.341CS..Hα-helixtrans-65.7-37.3177.100000113.1P81 P136 N138 D140 R146P81-A142 HydrophobicContact CB-CB 3.99Å; P136-A142 HydrophobicContact CB-CB 3.42Å; P136-A142 VanDerWaalsContact CB-CB 3.42Å; P136-A142 HydrophobicContact CG-CB 3.86Å; N138-A142 WeakPolarHBondContact O-CB 3.47Å; N138-A142 PolarHBondContact O-N 3.31Å; D140-A142 VanDerWaalsContact C-N 3.35Å; A142-R146 WeakPolarHBondContact O-CG 3.5Å; A142-R146 PolarHBondContact O-N 2.85Å; A142-R146 PolarHBondContact O-NE 3.28Å
143K95.7Very high93.1Very high109 Ų10962.2 Ų62.247%0.47432%0.324SS..Hα-helixtrans-64-50.3173.2-175.4179.3177.5-179.90110.7V139 D140 W145 R146 E147V139-K143 WeakPolarHBondContact O-CB 2.75Å; V139-K143 PolarHBondContact O-N 3.47Å; D140-K143 PolarHBondContact O-N 2.97Å; K143-W145 VanDerWaalsContact C-N 3.32Å; K143-W145 PolarHBondContact O-N 3.31Å; K143-R146 PolarHBondContact O-N 3.1Å; K143-R146 VanDerWaalsContact O-N 3.16Å; K143-E147 VanDerWaalsContact CE-CD 3.41Å; K143-E147 VanDerWaalsContact CE-OE1 3.24Å; K143-E147 WeakPolarHBondContact CE-OE1 3.26Å; K143-E147 WeakPolarHBondContact CE-OE2 3.42Å; K143-E147 HydrophobicContact CG-CG 4.35Å; K143-E147 WeakPolarHBondContact CG-OE1 3.42Å; K143-E147 IonicContact NZ-OE2 3.96Å; K143-E147 WeakPolarHBondContact O-CB 3.47Å; K143-E147 PolarHBondContact O-N 2.78Å
144E96.4Very high94.1Very high41 Ų4165.4 Ų65.419%0.19233%0.327CS..Hα-helixtrans-63.9-36.4179.5-70.5178.9177.600112.5W79 D140 A141 R146 D148 R149 F153 K156W79-E144 WeakPolarHBondContact CZ2-OE2 3.48Å; W79-E144 PolarHBondContact NE1-OE2 2.87Å; D140-E144 WeakPolarHBondContact O-CG 3.43Å; D140-E144 PolarHBondContact O-N 2.87Å; A141-E144 PolarHBondContact O-N 2.85Å; E144-R146 VanDerWaalsContact C-N 3.27Å; E144-R146 PolarHBondContact O-N 2.9Å; E144-D148 CarbonylContact O-C 3.03Å; E144-D148 WeakPolarHBondContact O-CA 3.27Å; E144-D148 PolarHBondContact O-N 2.9Å; E144-R149 PolarHBondContact O-N 2.85Å; E144-R149 VanDerWaalsContact O-N 3.16Å; E144-F153 HydrophobicContact CB-CB 4.02Å; E144-F153 HydrophobicContact CB-CD2 4.01Å; E144-K156 IonicContact OE1-NZ 2.9Å; E144-K156 PolarHBondContact OE1-NZ 3.34Å; E144-K156 WeakPolarHBondContact OE2-CD 3.38Å; E144-K156 WeakPolarHBondContact OE2-CE 3.41Å; E144-K156 IonicContact OE2-NZ 2.78Å; E144-K156 PolarHBondContact OE2-NZ 3.1Å
145W95.2Very high95.1Very high27 Ų2767.4 Ų67.410%0.10232%0.324CS..Hα-helixtrans-60.2-36.2174.3174.6-114.4000113.1L49 P81 P131 A141 K143 R149 F153L49-W145 HydrophobicContact CD1-CZ3 3.92Å; P81-W145 HydrophobicContact CG-CB 3.98Å; P81-W145 HydrophobicContact CG-CG 4.21Å; P131-W145 VanDerWaalsContact CD-CZ2 3.42Å; P131-W145 HydrophobicContact CG-CD2 4.12Å; P131-W145 HydrophobicContact CG-CE3 4.46Å; P131-W145 HydrophobicContact CG-CH2 4.24Å; P131-W145 HydrophobicContact CG-CZ2 3.89Å; A141-W145 VanDerWaalsContact O-CB 3.3Å; A141-W145 WeakPolarHBondContact O-CB 3.45Å; A141-W145 PolarHBondContact O-N 2.92Å; K143-W145 VanDerWaalsContact C-N 3.32Å; K143-W145 PolarHBondContact O-N 3.31Å; W145-R149 HydrophobicContact CD2-CG 4.42Å; W145-R149 VanDerWaalsContact CE2-CZ 3.48Å; W145-R149 HydrophobicContact CE3-CG 3.65Å; W145-R149 HydrophobicContact CH2-CG 4.29Å; W145-R149 VanDerWaalsContact CZ2-NH2 3.3Å; W145-R149 HydrophobicContact CZ3-CG 3.59Å; W145-R149 WeakPolarHBondContact O-CB 3.34Å; W145-R149 PolarHBondContact O-NE 3.48Å; W145-F153 HydrophobicContact CB-CD2 4.01Å; W145-F153 HydrophobicContact CB-CE2 3.91Å; W145-F153 HydrophobicContact CB-CZ 4.38Å; W145-F153 HydrophobicContact CD2-CE1 4.48Å; W145-F153 HydrophobicContact CD2-CZ 4.47Å; W145-F153 AromaticContact CE3-CD1 3.7Å; W145-F153 HydrophobicContact CE3-CD1 3.7Å; W145-F153 AromaticContact CE3-CE1 3.39Å; W145-F153 HydrophobicContact CE3-CE1 3.39Å; W145-F153 HydrophobicContact CE3-CE2 4.36Å; W145-F153 HydrophobicContact CE3-CG 4.31Å; W145-F153 AromaticContact CE3-CZ 3.76Å; W145-F153 HydrophobicContact CE3-CZ 3.76Å; W145-F153 HydrophobicContact CZ3-CD1 4.2Å; W145-F153 AromaticContact CZ3-CE1 3.8Å; W145-F153 HydrophobicContact CZ3-CE1 3.8Å; W145-F153 HydrophobicContact CZ3-CZ 4.45Å
146R93.7Very high95.9Very high174 Ų17468.2 Ų68.266%0.65732%0.322SS*.Hα-helixtrans-83.5-43.3-179.8-72.1-175.2-66.9179.50.2112.8A142 K143 E144A142-R146 WeakPolarHBondContact O-CG 3.5Å; A142-R146 PolarHBondContact O-N 2.85Å; A142-R146 PolarHBondContact O-NE 3.28Å; K143-R146 PolarHBondContact O-N 3.1Å; K143-R146 VanDerWaalsContact O-N 3.16Å; E144-R146 VanDerWaalsContact C-N 3.27Å; E144-R146 PolarHBondContact O-N 2.9Å
147E95.4Very high96.2Very high138 Ų13866.2 Ų66.265%0.64531%0.309SS*.Hα-helixtrans-95.7-32.2-169.4-64.6177.7-166.900113.5K143K143-E147 VanDerWaalsContact CE-CD 3.41Å; K143-E147 VanDerWaalsContact CE-OE1 3.24Å; K143-E147 WeakPolarHBondContact CE-OE1 3.26Å; K143-E147 WeakPolarHBondContact CE-OE2 3.42Å; K143-E147 HydrophobicContact CG-CG 4.35Å; K143-E147 WeakPolarHBondContact CG-OE1 3.42Å; K143-E147 IonicContact NZ-OE2 3.96Å; K143-E147 WeakPolarHBondContact O-CB 3.47Å; K143-E147 PolarHBondContact O-N 2.78Å
148D95.3Very high96.4Very high72 Ų7266.3 Ų66.339%0.38531%0.31SS..  trans-146.253.6-174.2-17117.6000112.3E144 H150 G151 A152 F153E144-D148 CarbonylContact O-C 3.03Å; E144-D148 WeakPolarHBondContact O-CA 3.27Å; E144-D148 PolarHBondContact O-N 2.9Å; D148-H150 VanDerWaalsContact C-N 3.32Å; D148-H150 PolarHBondContact O-N 3.05Å; D148-G151 PolarHBondContact O-N 3.5Å; D148-G151 WeakPolarHBondContact OD1-CA 3.35Å; D148-G151 PolarHBondContact OD1-N 3.22Å; D148-A152 PolarHBondContact O-N 3.16Å; D148-A152 VanDerWaalsContact OD2-CB 3.27Å; D148-A152 WeakPolarHBondContact OD2-CB 3.43Å; D148-A152 PolarHBondContact OD2-N 3.15Å; D148-F153 PolarHBondContact O-N 3.48Å
149R94Very high96.5Very high104 Ų10473.8 Ų73.839%0.39234%0.338SS..Iπ-helixtrans-54.4-46.4-177.1-171.9177.7-65.6-171.2-3.2112.7E144 W145 K154E144-R149 PolarHBondContact O-N 2.85Å; E144-R149 VanDerWaalsContact O-N 3.16Å; W145-R149 HydrophobicContact CD2-CG 4.42Å; W145-R149 VanDerWaalsContact CE2-CZ 3.48Å; W145-R149 HydrophobicContact CE3-CG 3.65Å; W145-R149 HydrophobicContact CH2-CG 4.29Å; W145-R149 VanDerWaalsContact CZ2-NH2 3.3Å; W145-R149 HydrophobicContact CZ3-CG 3.59Å; W145-R149 WeakPolarHBondContact O-CB 3.34Å; W145-R149 PolarHBondContact O-NE 3.48Å; R149-K154 WeakPolarHBondContact O-CB 3.46Å; R149-K154 PolarHBondContact O-N 3.09Å; R149-K154 VanDerWaalsContact O-N 3.1Å
150H95.6Very high96.6Very high147 Ų14770.1 Ų70.168%0.68132%0.317SS*.Iπ-helixtrans-90.3-8.8-174.2-62.4-64.4000114D148D148-H150 VanDerWaalsContact C-N 3.32Å; D148-H150 PolarHBondContact O-N 3.05Å
151G97.1Very high96.7Very high19 Ų1967.4 Ų67.420%0.19630%0.302CS..Iπ-helixtrans-101.6-98.9176.500000112.7D148 R155D148-G151 PolarHBondContact O-N 3.5Å; D148-G151 WeakPolarHBondContact OD1-CA 3.35Å; D148-G151 PolarHBondContact OD1-N 3.22Å; G151-R155 WeakPolarHBondContact O-CB 3.3Å; G151-R155 VanDerWaalsContact O-CG 3.27Å; G151-R155 WeakPolarHBondContact O-CG 3.22Å; G151-R155 PolarHBondContact O-N 3.17Å; G151-R155 VanDerWaalsContact O-N 3.1Å; G151-R155 PolarHBondContact O-NE 3.04Å
152A96.6Very high96.7Very high18 Ų1873.5 Ų73.515%0.14933%0.325CS..Iπ-helixtrans-59.9-46.1-175.700000112.7D148 R155 K156D148-A152 PolarHBondContact O-N 3.16Å; D148-A152 VanDerWaalsContact OD2-CB 3.27Å; D148-A152 WeakPolarHBondContact OD2-CB 3.43Å; D148-A152 PolarHBondContact OD2-N 3.15Å; A152-R155 PolarHBondContact O-N 3.08Å; A152-K156 PolarHBondContact O-N 3.31Å; A152-K156 VanDerWaalsContact O-N 3.08Å
153F97.5Very high96.7Very high0 Ų078.1 Ų78.10%035%0.345CS..Iπ-helixtrans-61.7-56.3-177.8-172.6-90.2000111L49 Y50 W79 P81 A141 E144 W145 D148 R155 K156 V157L49-F153 HydrophobicContact CD1-CD1 3.54Å; L49-F153 HydrophobicContact CD1-CE1 3.67Å; Y50-F153 WeakPolarHBondContact OH-CZ 3.37Å; W79-F153 AromaticContact CD1-CD2 3.76Å; W79-F153 AromaticContact CD1-CE2 3.75Å; W79-F153 AromaticContact NE1-CD2 3.75Å; P81-F153 HydrophobicContact CG-CE2 4.33Å; A141-F153 HydrophobicContact CB-CE2 4.29Å; A141-F153 WeakPolarHBondContact O-CD2 3.47Å; A141-F153 WeakPolarHBondContact O-CE2 3.49Å; E144-F153 HydrophobicContact CB-CB 4.02Å; E144-F153 HydrophobicContact CB-CD2 4.01Å; W145-F153 HydrophobicContact CB-CD2 4.01Å; W145-F153 HydrophobicContact CB-CE2 3.91Å; W145-F153 HydrophobicContact CB-CZ 4.38Å; W145-F153 HydrophobicContact CD2-CE1 4.48Å; W145-F153 HydrophobicContact CD2-CZ 4.47Å; W145-F153 AromaticContact CE3-CD1 3.7Å; W145-F153 HydrophobicContact CE3-CD1 3.7Å; W145-F153 AromaticContact CE3-CE1 3.39Å; W145-F153 HydrophobicContact CE3-CE1 3.39Å; W145-F153 HydrophobicContact CE3-CE2 4.36Å; W145-F153 HydrophobicContact CE3-CG 4.31Å; W145-F153 AromaticContact CE3-CZ 3.76Å; W145-F153 HydrophobicContact CE3-CZ 3.76Å; W145-F153 HydrophobicContact CZ3-CD1 4.2Å; W145-F153 AromaticContact CZ3-CE1 3.8Å; W145-F153 HydrophobicContact CZ3-CE1 3.8Å; W145-F153 HydrophobicContact CZ3-CZ 4.45Å; D148-F153 PolarHBondContact O-N 3.48Å; F153-R155 VanDerWaalsContact C-N 3.28Å; F153-R155 PolarHBondContact O-N 3.1Å; F153-K156 PolarHBondContact O-N 3.24Å; F153-K156 VanDerWaalsContact O-N 3.09Å; F153-V157 HydrophobicContact CD1-CG2 3.9Å; F153-V157 HydrophobicContact CE1-CG2 3.52Å; F153-V157 HydrophobicContact CZ-CG2 3.91Å; F153-V157 WeakPolarHBondContact O-CG2 3.48Å; F153-V157 PolarHBondContact O-N 2.7Å
154K97.8Very high96.8Very high106 Ų10673 Ų7346%0.46132%0.323SS..Hα-helixtrans-53.1-42.3176.5177.1170.2-177176.40112.7L49 R149 A158L49-K154 HydrophobicContact CD1-CB 4.38Å; L49-K154 HydrophobicContact CD2-CB 4.29Å; L49-K154 HydrophobicContact CD2-CD 4.04Å; L49-K154 HydrophobicContact CD2-CG 3.99Å; R149-K154 WeakPolarHBondContact O-CB 3.46Å; R149-K154 PolarHBondContact O-N 3.09Å; R149-K154 VanDerWaalsContact O-N 3.1Å; K154-A158 VanDerWaalsContact O-CB 3.23Å; K154-A158 WeakPolarHBondContact O-CB 3.13Å; K154-A158 PolarHBondContact O-N 2.97Å
155R98.2Very high96.7Very high169 Ų16974.2 Ų74.264%0.63833%0.329SS*.Hα-helixtrans-64.7-39.3179.1-76.6-175.9-61.9172.60.3113G151 A152 F153 R159G151-R155 WeakPolarHBondContact O-CB 3.3Å; G151-R155 VanDerWaalsContact O-CG 3.27Å; G151-R155 WeakPolarHBondContact O-CG 3.22Å; G151-R155 PolarHBondContact O-N 3.17Å; G151-R155 VanDerWaalsContact O-N 3.1Å; G151-R155 PolarHBondContact O-NE 3.04Å; A152-R155 PolarHBondContact O-N 3.08Å; F153-R155 VanDerWaalsContact C-N 3.28Å; F153-R155 PolarHBondContact O-N 3.1Å; R155-R159 PolarHBondContact O-N 3.04Å
156K98.3Very high96.6Very high63 Ų6378.9 Ų78.927%0.27435%0.351SS..Hα-helixtrans-69.8-46.6177.3-73.9-179.7-178.5174.80111.3W79 E144 A152 F153 A158 R159 C160W79-K156 HydrophobicContact CB-CB 4.35Å; W79-K156 HydrophobicContact CD2-CD 4Å; W79-K156 HydrophobicContact CG-CB 3.97Å; W79-K156 HydrophobicContact CG-CD 4.25Å; W79-K156 HydrophobicContact CZ2-CD 4.02Å; W79-K156 VanDerWaalsContact CZ2-NZ 3.34Å; E144-K156 IonicContact OE1-NZ 2.9Å; E144-K156 PolarHBondContact OE1-NZ 3.34Å; E144-K156 WeakPolarHBondContact OE2-CD 3.38Å; E144-K156 WeakPolarHBondContact OE2-CE 3.41Å; E144-K156 IonicContact OE2-NZ 2.78Å; E144-K156 PolarHBondContact OE2-NZ 3.1Å; A152-K156 PolarHBondContact O-N 3.31Å; A152-K156 VanDerWaalsContact O-N 3.08Å; F153-K156 PolarHBondContact O-N 3.24Å; F153-K156 VanDerWaalsContact O-N 3.09Å; K156-A158 VanDerWaalsContact C-N 3.34Å; K156-A158 PolarHBondContact O-N 3.24Å; K156-R159 WeakPolarHBondContact O-CB 3.27Å; K156-R159 PolarHBondContact O-N 2.88Å; K156-R159 VanDerWaalsContact O-N 3.07Å; K156-C160 PolarHBondContact O-N 3.16Å; K156-C160 VanDerWaalsContact O-N 3.1Å
157V98.2Very high96.5Very high0 Ų074 Ų740%034%0.341CS..Hα-helixtrans-59.1-46.1175.9177.90000111L49 Y50 W79 F153 R159 C160 V161L49-V157 HydrophobicContact CB-CB 4.45Å; L49-V157 HydrophobicContact CB-CG1 3.98Å; L49-V157 WeakPolarHBondContact O-CG1 3.4Å; Y50-V157 HydrophobicContact CD1-CG1 3.49Å; Y50-V157 VanDerWaalsContact CD1-CG1 3.49Å; Y50-V157 HydrophobicContact CD2-CG1 4.46Å; Y50-V157 HydrophobicContact CE1-CB 4.36Å; Y50-V157 HydrophobicContact CE1-CG1 3.43Å; Y50-V157 VanDerWaalsContact CE1-CG1 3.43Å; Y50-V157 HydrophobicContact CE1-CG2 3.99Å; Y50-V157 HydrophobicContact CE2-CG1 4.42Å; Y50-V157 HydrophobicContact CG-CG1 4.01Å; W79-V157 HydrophobicContact CB-CG2 4.3Å; F153-V157 HydrophobicContact CD1-CG2 3.9Å; F153-V157 HydrophobicContact CE1-CG2 3.52Å; F153-V157 HydrophobicContact CZ-CG2 3.91Å; F153-V157 WeakPolarHBondContact O-CG2 3.48Å; F153-V157 PolarHBondContact O-N 2.7Å; V157-R159 PolarHBondContact O-N 3.33Å; V157-R159 VanDerWaalsContact O-N 3.16Å; V157-C160 WeakPolarHBondContact O-CA 3.48Å; V157-C160 WeakPolarHBondContact O-CB 3.48Å; V157-C160 PolarHBondContact O-N 3.41Å; V157-V161 HydrophobicContact CG1-CG2 4.36Å; V157-V161 PolarHBondContact O-N 2.84Å
158A98.1Very high96Very high31 Ų3169.5 Ų69.526%0.25633%0.328SS..Hα-helixtrans-60.6-28.7177.600000113K154 K156 R162K154-A158 VanDerWaalsContact O-CB 3.23Å; K154-A158 WeakPolarHBondContact O-CB 3.13Å; K154-A158 PolarHBondContact O-N 2.97Å; K156-A158 VanDerWaalsContact C-N 3.34Å; K156-A158 PolarHBondContact O-N 3.24Å; A158-R162 WeakPolarHBondContact O-CG 3.41Å; A158-R162 PolarHBondContact O-N 3.37Å; A158-R162 VanDerWaalsContact O-N 3.15Å; A158-R162 PolarHBondContact O-NH1 3.16Å; A158-R162 VanDerWaalsContact O-NH1 3.12Å
159R97.9Very high95.1Very high161 Ų16174.7 Ų74.761%0.60835%0.347SS*.Hα-helixtrans-70.7-43.1172.5-172.4-173.2-61.2156.10.5111.3R155 K156 V157 V161 R162 K163R155-R159 PolarHBondContact O-N 3.04Å; K156-R159 WeakPolarHBondContact O-CB 3.27Å; K156-R159 PolarHBondContact O-N 2.88Å; K156-R159 VanDerWaalsContact O-N 3.07Å; V157-R159 PolarHBondContact O-N 3.33Å; V157-R159 VanDerWaalsContact O-N 3.16Å; R159-V161 VanDerWaalsContact C-N 3.34Å; R159-R162 PolarHBondContact O-N 3Å; R159-K163 WeakPolarHBondContact O-CB 3.43Å; R159-K163 PolarHBondContact O-N 3.27Å
160C97.9Very high93.9Very high20 Ų2079.9 Ų79.914%0.13538%0.376CS..Hα-helixtrans-58.9-45.2174-64.40000111.3D77 K156 V157 K163 S164D77-C160 WeakPolarHBondContact O-CB 3.36Å; K156-C160 PolarHBondContact O-N 3.16Å; K156-C160 VanDerWaalsContact O-N 3.1Å; V157-C160 WeakPolarHBondContact O-CA 3.48Å; V157-C160 WeakPolarHBondContact O-CB 3.48Å; V157-C160 PolarHBondContact O-N 3.41Å; C160-K163 PolarHBondContact O-N 2.91Å; C160-S164 WeakPolarHBondContact O-CB 3.36Å; C160-S164 PolarHBondContact O-N 3.32Å; C160-S164 PolarHBondContact O-OG 2.91Å
161V98.2Very high93.8Very high13 Ų1376.6 Ų76.68%0.07936%0.361CS..Hα-helixtrans-59.2-49.4177.2169.50000111.8F55 V157 R159 K163 S164 Q165F55-V161 HydrophobicContact CZ-CG2 4Å; V157-V161 HydrophobicContact CG1-CG2 4.36Å; V157-V161 PolarHBondContact O-N 2.84Å; R159-V161 VanDerWaalsContact C-N 3.34Å; V161-K163 PolarHBondContact O-N 2.87Å; V161-S164 PolarHBondContact O-N 2.77Å; V161-S164 PolarHBondContact O-OG 3.39Å; V161-Q165 VanDerWaalsContact O-CG 3.31Å; V161-Q165 WeakPolarHBondContact O-CG 3.38Å; V161-Q165 PolarHBondContact O-N 2.59Å; V161-Q165 VanDerWaalsContact O-N 3.08Å
162R97.6Very high93.6Very high128 Ų12879.6 Ų79.648%0.48337%0.369SS..Hα-helixtrans-62.1-46178.5-73.2-171.2-58-82.3-1.5112.4A158 R159 S164 Q165 E166A158-R162 WeakPolarHBondContact O-CG 3.41Å; A158-R162 PolarHBondContact O-N 3.37Å; A158-R162 VanDerWaalsContact O-N 3.15Å; A158-R162 PolarHBondContact O-NH1 3.16Å; A158-R162 VanDerWaalsContact O-NH1 3.12Å; R159-R162 PolarHBondContact O-N 3Å; R162-S164 VanDerWaalsContact C-N 3.28Å; R162-S164 PolarHBondContact O-N 3.15Å; R162-Q165 WeakPolarHBondContact O-CB 3.45Å; R162-Q165 PolarHBondContact O-N 3.3Å; R162-E166 WeakPolarHBondContact O-CG 3.41Å; R162-E166 PolarHBondContact O-N 2.78Å
163K97.1Very high93.4Very high100 Ų10083 Ų8344%0.43538%0.382SS..Hα-helixtrans-62.4-38.2179.2-173.8179.4176.7-172.70111.5D77 R159 C160 V161 E166 T167D77-K163 IonicContact OD2-NZ 3.1Å; D77-K163 PolarHBondContact OD2-NZ 2.85Å; R159-K163 WeakPolarHBondContact O-CB 3.43Å; R159-K163 PolarHBondContact O-N 3.27Å; C160-K163 PolarHBondContact O-N 2.91Å; V161-K163 PolarHBondContact O-N 2.87Å; K163-E166 PolarHBondContact O-N 3.38Å; K163-T167 PolarHBondContact O-N 3.26Å; K163-T167 PolarHBondContact O-OG1 3.37Å
164S97.1Very high93.2Very high1 Ų187.9 Ų87.91%0.00740%0.404CS..Hα-helixtrans-68.5-36.9179.875.70000112.4V54 T76 C160 V161 R162 T167 A168V54-S164 PolarHBondContact N-OG 3.5Å; V54-S164 VanDerWaalsContact O-CB 3.29Å; V54-S164 WeakPolarHBondContact O-CB 3.49Å; T76-S164 VanDerWaalsContact CG2-CB 3.44Å; C160-S164 WeakPolarHBondContact O-CB 3.36Å; C160-S164 PolarHBondContact O-N 3.32Å; C160-S164 PolarHBondContact O-OG 2.91Å; V161-S164 PolarHBondContact O-N 2.77Å; V161-S164 PolarHBondContact O-OG 3.39Å; R162-S164 VanDerWaalsContact C-N 3.28Å; R162-S164 PolarHBondContact O-N 3.15Å; S164-T167 PolarHBondContact O-OG1 3.18Å; S164-A168 WeakPolarHBondContact O-CB 2.92Å; S164-A168 PolarHBondContact O-N 3.3Å; S164-A168 VanDerWaalsContact O-N 3.15Å
165Q94.9Very high92.9Very high68 Ų6886.8 Ų86.832%0.31840%0.4SS..Hα-helixtrans-62.8-46.4171.7-69.3167.2-15.600111.7G52 V161 R162 T167 A168 F169G52-Q165 PolarHBondContact O-NE2 2.89Å; V161-Q165 VanDerWaalsContact O-CG 3.31Å; V161-Q165 WeakPolarHBondContact O-CG 3.38Å; V161-Q165 PolarHBondContact O-N 2.59Å; V161-Q165 VanDerWaalsContact O-N 3.08Å; R162-Q165 WeakPolarHBondContact O-CB 3.45Å; R162-Q165 PolarHBondContact O-N 3.3Å; Q165-T167 VanDerWaalsContact C-N 3.34Å; Q165-T167 PolarHBondContact O-N 3.05Å; Q165-A168 PolarHBondContact O-N 2.75Å; Q165-A168 VanDerWaalsContact O-N 3.09Å; Q165-F169 WeakPolarHBondContact O-CD2 3.24Å; Q165-F169 PolarHBondContact O-N 2.89Å
166E93.1Very high92.5Very high124 Ų12481.3 Ų81.358%0.57939%0.385SS*.Hα-helixtrans-53.6-51.8177.4-71.5165.8-171.200110.9R162 K163 A168 F169 E170R162-E166 WeakPolarHBondContact O-CG 3.41Å; R162-E166 PolarHBondContact O-N 2.78Å; K163-E166 PolarHBondContact O-N 3.38Å; E166-A168 PolarHBondContact O-N 3.04Å; E166-F169 PolarHBondContact O-N 2.93Å; E166-E170 WeakPolarHBondContact O-CG 3.44Å; E166-E170 PolarHBondContact O-N 3.36Å
167T90.6Very high92.1Very high72 Ų7282.6 Ų82.644%0.44239%0.392SS..Hα-helixtrans-69.2-16.9-179.756.20000114.9K163 S164 Q165K163-T167 PolarHBondContact O-N 3.26Å; K163-T167 PolarHBondContact O-OG1 3.37Å; S164-T167 PolarHBondContact O-OG1 3.18Å; Q165-T167 VanDerWaalsContact C-N 3.34Å; Q165-T167 PolarHBondContact O-N 3.05Å
168A84.3Confident91.7Very high44 Ų4488.9 Ų88.936%0.36442%0.423SS..Hα-helixtrans-83.9-19.2-179.600000112.8V54 S164 Q165 E166V54-A168 HydrophobicContact CB-CB 3.91Å; V54-A168 HydrophobicContact CG1-CB 3.91Å; V54-A168 HydrophobicContact CG2-CB 4.15Å; S164-A168 WeakPolarHBondContact O-CB 2.92Å; S164-A168 PolarHBondContact O-N 3.3Å; S164-A168 VanDerWaalsContact O-N 3.15Å; Q165-A168 PolarHBondContact O-N 2.75Å; Q165-A168 VanDerWaalsContact O-N 3.09Å; E166-A168 PolarHBondContact O-N 3.04Å
169F77.1Confident91.1Very high180 Ų18093.8 Ų93.879%0.78944%0.437SS*.  trans-114.65.7-178.7-64-73000113.4Q165 E166Q165-F169 WeakPolarHBondContact O-CD2 3.24Å; Q165-F169 PolarHBondContact O-N 2.89Å; E166-F169 PolarHBondContact O-N 2.93Å
170E67.9Low90.5Very high214 Ų21487.6 Ų87.6100%142%0.421SS*.  trans-81.90165.4-76.1179.816800111.2E166E166-E170 WeakPolarHBondContact O-CG 3.44Å; E166-E170 PolarHBondContact O-N 3.36Å

Retrieved 170 of 170 residues in 53.3 ms (Link to these results)

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