A0A5K4F609_SCHMA Loading...

Ubiquitin-like modifier-activating enzyme ATG7

E1-like activating enzyme involved in the 2 ubiquitin-like systems required for autophagy.

AlphaFold DB , UniProt , Accession A0A5K4F609, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 707 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
1M68.6Low90.4Very high184 Ų18466.5 Ų66.591%0.90635%0.354SS*.  0118.50-76.8-169-144.700108.3V155 V156M1-V155 HydrophobicContact CB-CG1 3.57Å; M1-V155 HydrophobicContact CG-CG1 4.03Å; M1-V155 HydrophobicContact SD-CG1 4.1Å; M1-V156 VanDerWaalsContact CA-O 3.22Å; M1-V156 WeakPolarHBondContact CA-O 3.32Å
2S88.9Confident90.7Very high76 Ų7665.8 Ų65.853%0.53135%0.354SS..EExtended strand (participates in β ladder)trans-128.6154.518053.50000109.6L4 V156S2-L4 PolarHBondContact O-N 3.29Å; S2-V156 PolarHBondContact N-O 3.36Å; S2-V156 PolarHBondContact O-N 2.87Å
3V92.2Very high91Very high79 Ų7963.2 Ų63.248%0.47934%0.339SS..EExtended strand (participates in β ladder)trans-63.4135.8172.2174.70000109.4Q5 Q153V3-Q5 PolarHBondContact O-N 3.01Å; V3-Q153 HydrophobicContact CG1-CB 3.51Å; V3-Q153 HydrophobicContact CG1-CG 3.9Å
4L93.5Very high91.1Very high6 Ų664 Ų643%0.03134%0.343CS..PPolyproline II helixtrans-62.6120.8176.7-179.259000110.5S2 Y6 P154 V156 P226 L230 L234 I270 I272S2-L4 PolarHBondContact O-N 3.29Å; L4-Y6 HydrophobicContact CB-CE2 4.48Å; L4-Y6 HydrophobicContact CD2-CE1 3.8Å; L4-Y6 WeakPolarHBondContact CD2-OH 3.39Å; L4-Y6 HydrophobicContact CG-CE1 4Å; L4-Y6 HydrophobicContact CG-CE2 4.2Å; L4-Y6 WeakPolarHBondContact O-CE2 3.36Å; L4-P154 HydrophobicContact CB-CB 4.49Å; L4-P154 PolarHBondContact N-O 3.41Å; L4-V156 HydrophobicContact CB-CG2 3.83Å; L4-V156 HydrophobicContact CD1-CG2 3.72Å; L4-V156 HydrophobicContact CG-CG2 4.35Å; L4-P226 HydrophobicContact CD1-CG 4.17Å; L4-L230 HydrophobicContact CD2-CD2 4.1Å; L4-L234 HydrophobicContact CD2-CD1 3.74Å; L4-I270 HydrophobicContact CD1-CD1 4.15Å; L4-I270 HydrophobicContact CD1-CG2 4.3Å; L4-I272 HydrophobicContact CD2-CG2 4.34Å
5Q93.4Very high91.2Very high142 Ų14264.7 Ų64.766%0.66435%0.351SS*.PPolyproline II helixtrans-94158.4174.3-63.6-170.4-10.800110.6V3 P226V3-Q5 PolarHBondContact O-N 3.01Å; Q5-P226 WeakPolarHBondContact O-CD 3.09Å
6Y94.2Very high91.2Very high25 Ų2562.8 Ų62.810%0.09834%0.344CS..  trans-135.9139.5-175.8-54.2-93.3000110.5L4 P226 L230 R231L4-Y6 HydrophobicContact CB-CE2 4.48Å; L4-Y6 HydrophobicContact CD2-CE1 3.8Å; L4-Y6 WeakPolarHBondContact CD2-OH 3.39Å; L4-Y6 HydrophobicContact CG-CE1 4Å; L4-Y6 HydrophobicContact CG-CE2 4.2Å; L4-Y6 WeakPolarHBondContact O-CE2 3.36Å; Y6-P226 WeakPolarHBondContact CA-O 3.42Å; Y6-P226 HydrophobicContact CD1-CG 4.06Å; Y6-P226 HydrophobicContact CE1-CG 4.34Å; Y6-L230 HydrophobicContact CD1-CB 4.32Å; Y6-L230 HydrophobicContact CE1-CB 4.03Å; Y6-L230 HydrophobicContact CE1-CD2 4.23Å; Y6-L230 HydrophobicContact CE1-CG 4.27Å; Y6-R231 HydrophobicContact CD1-CG 3.4Å; Y6-R231 HydrophobicContact CD2-CG 3.58Å; Y6-R231 HydrophobicContact CE1-CB 4.39Å; Y6-R231 HydrophobicContact CE1-CG 3.48Å; Y6-R231 VanDerWaalsContact CE1-CG 3.48Å; Y6-R231 HydrophobicContact CE2-CG 3.68Å; Y6-R231 HydrophobicContact CG-CG 3.44Å; Y6-R231 VanDerWaalsContact CG-CG 3.44Å
7I93.7Very high91.4Very high46 Ų4659.1 Ų59.124%0.23632%0.324CS..BIsolated β-bridgetrans-89.6120.3176.9-51.7-55.4000109.7P52 S220 D222 P226 C227 W228I7-P52 HydrophobicContact CB-CG 4.19Å; I7-P52 HydrophobicContact CG2-CG 3.65Å; I7-S220 WeakPolarHBondContact CG1-OG 3.46Å; I7-D222 HydrophobicContact CD1-CB 4.12Å; I7-D222 HydrophobicContact CG1-CB 3.89Å; I7-P226 PolarHBondContact N-O 3.09Å; I7-C227 CarbonylContact O-C 3.57Å; I7-C227 WeakPolarHBondContact O-CA 3.48Å; I7-W228 PolarHBondContact O-N 3.49Å
8P92.2Very high91.7Very high72 Ų7256.2 Ų56.247%0.46831%0.307SS..PPolyproline II helixtrans-69.9158.2178.330.3-34.8000112.1W228P8-W228 HydrophobicContact CB-CE3 4.3Å
9F91.7Very high91.6Very high5 Ų557.6 Ų57.62%0.02231%0.311CS..PPolyproline II helixtrans-72.8144.3167.9-71.8-75.8000111.4F42 P52 L54 I77 F145 W228 L229F9-F42 HydrophobicContact CE1-CB 4.02Å; F9-F42 HydrophobicContact CE1-CG 4.26Å; F9-F42 HydrophobicContact CZ-CG 4.41Å; F9-P52 WeakPolarHBondContact CA-O 3.3Å; F9-P52 HydrophobicContact CD1-CB 3.76Å; F9-P52 HydrophobicContact CE1-CB 4.04Å; F9-L54 HydrophobicContact CB-CB 4.25Å; F9-L54 HydrophobicContact CD1-CB 4.22Å; F9-L54 HydrophobicContact CG-CB 4.31Å; F9-I77 HydrophobicContact CE2-CD1 4.49Å; F9-I77 HydrophobicContact CZ-CD1 4.5Å; F9-F145 HydrophobicContact CB-CD2 4.25Å; F9-F145 HydrophobicContact CB-CE1 4.32Å; F9-F145 HydrophobicContact CB-CE2 3.72Å; F9-F145 HydrophobicContact CB-CZ 3.76Å; F9-F145 HydrophobicContact CD2-CD1 4.48Å; F9-W228 HydrophobicContact CD2-CB 4.21Å; F9-W228 HydrophobicContact CE2-CB 4.26Å; F9-L229 HydrophobicContact CE2-CD1 4.44Å; F9-L229 HydrophobicContact CE2-CD2 3.5Å; F9-L229 HydrophobicContact CE2-CG 3.69Å; F9-L229 HydrophobicContact CZ-CD1 3.89Å; F9-L229 HydrophobicContact CZ-CD2 3.73Å; F9-L229 HydrophobicContact CZ-CG 3.62Å
10E91.8Very high91.7Very high91 Ų9155.4 Ų55.443%0.42530%0.303SS..EExtended strand (participates in β ladder)trans-100.5131.7161.1-68.4179.8-170.100109.5S51 P52 R53 L54E10-S51 WeakPolarHBondContact OE1-CB 3.46Å; E10-S51 PolarHBondContact OE1-OG 2.87Å; E10-P52 PolarHBondContact N-O 2.9Å; E10-R53 VanDerWaalsContact O-CA 3.31Å; E10-R53 WeakPolarHBondContact O-CA 3.39Å; E10-L54 PolarHBondContact O-N 2.95Å
11T94.3Very high91.8Very high6 Ų652.8 Ų52.84%0.03729%0.288CS..EExtended strand (participates in β ladder)trans-89.9128.1-177.1-39.60000111.8I13 L54 F143 E288 R297T11-I13 HydrophobicContact CG2-CD1 4.45Å; T11-I13 HydrophobicContact CG2-CG1 4Å; T11-L54 WeakPolarHBondContact CA-O 3.41Å; T11-F143 HydrophobicContact CG2-CD1 3.89Å; T11-F143 HydrophobicContact CG2-CD2 3.69Å; T11-F143 HydrophobicContact CG2-CE1 3.75Å; T11-F143 HydrophobicContact CG2-CE2 3.57Å; T11-F143 HydrophobicContact CG2-CG 3.87Å; T11-F143 HydrophobicContact CG2-CZ 3.63Å; T11-F143 WeakPolarHBondContact OG1-CG 3.46Å; T11-E288 PolarHBondContact N-OE1 2.92Å; T11-E288 PolarHBondContact OG1-OE1 3.07Å; T11-E288 PolarHBondContact OG1-OE2 3.48Å; T11-R297 PolarHBondContact O-NH1 3.14Å
12V94.1Very high93Very high58 Ų5844.4 Ų44.435%0.35225%0.249SC..EExtended strand (participates in β ladder)trans-111.2123.1172.3-177.40000108.8R53 L54 T55 I56V12-R53 HydrophobicContact CG2-CB 4.34Å; V12-R53 HydrophobicContact CG2-CG 4Å; V12-L54 PolarHBondContact N-O 3.23Å; V12-T55 VanDerWaalsContact O-CA 3.31Å; V12-T55 WeakPolarHBondContact O-CA 3.5Å; V12-I56 PolarHBondContact O-N 3.26Å
13I94.8Very high93Very high31 Ų3145 Ų4516%0.15925%0.246CC..EExtended strand (participates in β ladder)trans-119.6116.9-175.2-51.6179.2000107.9T11 F17 W18 I56 F141 F143T11-I13 HydrophobicContact CG2-CD1 4.45Å; T11-I13 HydrophobicContact CG2-CG1 4Å; I13-F17 HydrophobicContact CG2-CB 3.95Å; I13-F17 HydrophobicContact CG2-CD1 3.67Å; I13-F17 HydrophobicContact CG2-CG 4.05Å; I13-W18 HydrophobicContact CB-CZ2 4.32Å; I13-W18 HydrophobicContact CD1-CH2 4.1Å; I13-W18 HydrophobicContact CD1-CZ2 3.58Å; I13-W18 HydrophobicContact CG2-CD2 4.36Å; I13-W18 HydrophobicContact CG2-CZ2 3.74Å; I13-W18 VanDerWaalsContact CG2-NE1 3.32Å; I13-I56 HydrophobicContact CB-CD1 4.08Å; I13-I56 HydrophobicContact CB-CG1 3.97Å; I13-I56 HydrophobicContact CD1-CD1 3.91Å; I13-I56 HydrophobicContact CG1-CD1 3.57Å; I13-I56 HydrophobicContact CG1-CG1 3.82Å; I13-I56 HydrophobicContact CG2-CD1 3.68Å; I13-I56 HydrophobicContact CG2-CG1 3.69Å; I13-F141 HydrophobicContact CD1-CD2 3.77Å; I13-F141 HydrophobicContact CD1-CE1 4.43Å; I13-F141 HydrophobicContact CD1-CE2 3.39Å; I13-F141 HydrophobicContact CD1-CG 4.42Å; I13-F141 HydrophobicContact CD1-CZ 3.75Å; I13-F143 HydrophobicContact CD1-CD2 4.4Å; I13-F143 HydrophobicContact CD1-CE2 3.71Å; I13-F143 HydrophobicContact CG1-CE2 4.36Å
14D92.6Very high93.1Very high75 Ų7544.3 Ų44.340%0.40123%0.234SC..  trans-70.4148.5174.6-173.3-97.9000111.1S16 F17 I56 D57D14-S16 PolarHBondContact O-N 2.92Å; D14-S16 WeakPolarHBondContact OD1-CB 3.46Å; D14-S16 PolarHBondContact OD1-N 3.18Å; D14-S16 PolarHBondContact OD1-OG 2.94Å; D14-F17 WeakPolarHBondContact O-CB 3.39Å; D14-F17 PolarHBondContact O-N 3.02Å; D14-F17 VanDerWaalsContact O-N 3.09Å; D14-I56 PolarHBondContact N-O 3.01Å; D14-D57 HydrophobicContact CB-CB 4Å
15T91.7Very high93.1Very high75 Ų7544.9 Ų44.946%0.4624%0.237SC..Hα-helixtrans-58.2-34.4178.844.50000112.2F17 W18 H19 L301T15-F17 PolarHBondContact O-N 3.36Å; T15-W18 PolarHBondContact O-N 3.13Å; T15-H19 PolarHBondContact O-CD2 3.34Å; T15-H19 PolarHBondContact O-N 3.49Å; T15-L301 HydrophobicContact CG2-CD2 4.26Å
16S91.6Very high92.9Very high34 Ų3443.3 Ų43.324%0.23823%0.233CC..Hα-helixtrans-60.8-28.5178.468.50000113.5D14 W18 H19 G20 V58D14-S16 PolarHBondContact O-N 2.92Å; D14-S16 WeakPolarHBondContact OD1-CB 3.46Å; D14-S16 PolarHBondContact OD1-N 3.18Å; D14-S16 PolarHBondContact OD1-OG 2.94Å; S16-W18 VanDerWaalsContact C-N 3.35Å; S16-W18 PolarHBondContact O-N 2.71Å; S16-H19 PolarHBondContact O-N 3.16Å; S16-G20 PolarHBondContact O-N 3.4Å; S16-V58 PolarHBondContact OG-N 3.01Å
17F95.2Very high92.7Very high0 Ų046.7 Ų46.70%025%0.252CS..Hα-helixtrans-61.6-43.8174176.2-94.9000111.2I13 D14 T15 G20 L21 I56 F61 L128I13-F17 HydrophobicContact CG2-CB 3.95Å; I13-F17 HydrophobicContact CG2-CD1 3.67Å; I13-F17 HydrophobicContact CG2-CG 4.05Å; D14-F17 WeakPolarHBondContact O-CB 3.39Å; D14-F17 PolarHBondContact O-N 3.02Å; D14-F17 VanDerWaalsContact O-N 3.09Å; T15-F17 PolarHBondContact O-N 3.36Å; F17-G20 PolarHBondContact O-N 2.7Å; F17-L21 HydrophobicContact CE1-CB 4.48Å; F17-L21 HydrophobicContact CE1-CD2 4.08Å; F17-L21 WeakPolarHBondContact O-CB 3.42Å; F17-L21 PolarHBondContact O-N 2.9Å; F17-I56 HydrophobicContact CB-CG1 4.4Å; F17-I56 HydrophobicContact CD1-CD1 3.81Å; F17-I56 HydrophobicContact CD1-CG1 4.34Å; F17-I56 HydrophobicContact CD2-CB 4.25Å; F17-I56 HydrophobicContact CD2-CD1 3.98Å; F17-I56 HydrophobicContact CD2-CG1 4.03Å; F17-I56 HydrophobicContact CE1-CD1 3.79Å; F17-I56 HydrophobicContact CE2-CD1 3.95Å; F17-I56 HydrophobicContact CE2-CG1 4.42Å; F17-I56 HydrophobicContact CG-CD1 3.92Å; F17-I56 HydrophobicContact CG-CG1 3.98Å; F17-I56 HydrophobicContact CZ-CD1 3.87Å; F17-F61 HydrophobicContact CD2-CE1 4.45Å; F17-F61 AromaticContact CD2-CE2 3.61Å; F17-F61 HydrophobicContact CD2-CE2 3.61Å; F17-F61 AromaticContact CD2-CZ 3.56Å; F17-F61 HydrophobicContact CD2-CZ 3.56Å; F17-F61 HydrophobicContact CE1-CZ 4.42Å; F17-F61 AromaticContact CE2-CE1 3.77Å; F17-F61 HydrophobicContact CE2-CE1 3.77Å; F17-F61 AromaticContact CE2-CE2 3.78Å; F17-F61 HydrophobicContact CE2-CE2 3.78Å; F17-F61 AromaticContact CE2-CZ 3.25Å; F17-F61 HydrophobicContact CE2-CZ 3.25Å; F17-F61 HydrophobicContact CG-CE2 4.31Å; F17-F61 HydrophobicContact CG-CZ 4.26Å; F17-F61 HydrophobicContact CZ-CE1 4.17Å; F17-F61 AromaticContact CZ-CZ 3.73Å; F17-F61 HydrophobicContact CZ-CZ 3.73Å; F17-F61 WeakPolarHBondContact O-CE2 3.24Å; F17-L128 HydrophobicContact CE1-CD2 3.83Å; F17-L128 HydrophobicContact CZ-CD2 3.53Å
18W95.6Very high92.6Very high6 Ų649.3 Ų49.32%0.02326%0.263CS..Hα-helixtrans-68.5-37.9-179.1-60.5113.3000112.6I13 T15 S16 L21 A22 T130 F139 F141 V299 L301I13-W18 HydrophobicContact CB-CZ2 4.32Å; I13-W18 HydrophobicContact CD1-CH2 4.1Å; I13-W18 HydrophobicContact CD1-CZ2 3.58Å; I13-W18 HydrophobicContact CG2-CD2 4.36Å; I13-W18 HydrophobicContact CG2-CZ2 3.74Å; I13-W18 VanDerWaalsContact CG2-NE1 3.32Å; T15-W18 PolarHBondContact O-N 3.13Å; S16-W18 VanDerWaalsContact C-N 3.35Å; S16-W18 PolarHBondContact O-N 2.71Å; W18-L21 HydrophobicContact CE3-CD2 4.01Å; W18-L21 HydrophobicContact CZ3-CD2 3.93Å; W18-L21 PolarHBondContact O-N 2.66Å; W18-A22 WeakPolarHBondContact O-CB 3.42Å; W18-A22 PolarHBondContact O-N 3.35Å; W18-T130 HydrophobicContact CZ3-CG2 4.43Å; W18-F139 HydrophobicContact CB-CD2 4.39Å; W18-F139 HydrophobicContact CB-CE1 4.33Å; W18-F139 HydrophobicContact CB-CE2 4.21Å; W18-F139 HydrophobicContact CB-CZ 4.17Å; W18-F139 HydrophobicContact CD2-CB 4.07Å; W18-F139 HydrophobicContact CD2-CD1 4.23Å; W18-F139 HydrophobicContact CD2-CD2 4.41Å; W18-F139 AromaticContact CD2-CG 3.99Å; W18-F139 HydrophobicContact CD2-CG 3.99Å; W18-F139 HydrophobicContact CE3-CB 3.55Å; W18-F139 AromaticContact CE3-CD1 3.44Å; W18-F139 HydrophobicContact CE3-CD1 3.44Å; W18-F139 VanDerWaalsContact CE3-CD1 3.44Å; W18-F139 HydrophobicContact CE3-CD2 4.35Å; W18-F139 HydrophobicContact CE3-CE1 4.21Å; W18-F139 AromaticContact CE3-CG 3.52Å; W18-F139 HydrophobicContact CE3-CG 3.52Å; W18-F139 HydrophobicContact CG-CD2 4.47Å; W18-F139 HydrophobicContact CG-CG 4.46Å; W18-F139 HydrophobicContact CH2-CB 4.08Å; W18-F139 HydrophobicContact CZ3-CB 3.57Å; W18-F139 HydrophobicContact CZ3-CD1 4.03Å; W18-F139 HydrophobicContact CZ3-CG 4.05Å; W18-F141 HydrophobicContact CH2-CB 3.78Å; W18-F141 AromaticContact CH2-CD1 3.44Å; W18-F141 HydrophobicContact CH2-CD1 3.44Å; W18-F141 VanDerWaalsContact CH2-CD1 3.44Å; W18-F141 HydrophobicContact CH2-CD2 4.37Å; W18-F141 HydrophobicContact CH2-CE1 4.05Å; W18-F141 AromaticContact CH2-CG 3.62Å; W18-F141 HydrophobicContact CH2-CG 3.62Å; W18-F141 AromaticContact CZ2-CD1 3.64Å; W18-F141 HydrophobicContact CZ2-CD1 3.64Å; W18-F141 AromaticContact CZ2-CE1 3.73Å; W18-F141 HydrophobicContact CZ2-CE1 3.73Å; W18-F141 HydrophobicContact CZ2-CG 4.1Å; W18-F141 HydrophobicContact CZ2-CZ 4.27Å; W18-V299 HydrophobicContact CD2-CG1 4.27Å; W18-V299 HydrophobicContact CZ2-CG1 3.87Å; W18-L301 HydrophobicContact CB-CD1 3.39Å; W18-L301 HydrophobicContact CG-CD1 3.53Å
19H91.3Very high92.6Very high84 Ų8447 Ų4739%0.38925%0.246SC..Hα-helixtrans-59.6-47.9170.5-76.3-92000111.1T15 S16 L21 A22 D23T15-H19 PolarHBondContact O-CD2 3.34Å; T15-H19 PolarHBondContact O-N 3.49Å; S16-H19 PolarHBondContact O-N 3.16Å; H19-L21 PolarHBondContact O-N 3.04Å; H19-A22 PolarHBondContact O-N 2.83Å; H19-D23 PolarHBondContact O-N 3.47Å
20G92.1Very high92.6Very high13 Ų1355.2 Ų55.213%0.13428%0.276CS..Hα-helixtrans-61.8-41176.400000112.9S16 F17 R24S16-G20 PolarHBondContact O-N 3.4Å; F17-G20 PolarHBondContact O-N 2.7Å; G20-R24 WeakPolarHBondContact O-CB 2.91Å; G20-R24 VanDerWaalsContact O-CG 3.31Å; G20-R24 WeakPolarHBondContact O-CG 3.27Å; G20-R24 PolarHBondContact O-N 3.24Å
21L94.6Very high92.6Very high0 Ų057.6 Ų57.60%029%0.291CS..Hα-helixtrans-65.4-43.6177.1-177.254.5000112F17 W18 H19 R24 K25 Y29 F61 L81 T130F17-L21 HydrophobicContact CE1-CB 4.48Å; F17-L21 HydrophobicContact CE1-CD2 4.08Å; F17-L21 WeakPolarHBondContact O-CB 3.42Å; F17-L21 PolarHBondContact O-N 2.9Å; W18-L21 HydrophobicContact CE3-CD2 4.01Å; W18-L21 HydrophobicContact CZ3-CD2 3.93Å; W18-L21 PolarHBondContact O-N 2.66Å; H19-L21 PolarHBondContact O-N 3.04Å; L21-R24 PolarHBondContact O-N 3.28Å; L21-K25 VanDerWaalsContact O-CB 3.26Å; L21-K25 WeakPolarHBondContact O-CB 3.44Å; L21-K25 PolarHBondContact O-N 3.16Å; L21-Y29 HydrophobicContact CD1-CE2 4.11Å; L21-F61 HydrophobicContact CB-CZ 3.89Å; L21-F61 HydrophobicContact CD1-CE1 4.38Å; L21-F61 HydrophobicContact CD1-CZ 4.49Å; L21-L81 HydrophobicContact CD1-CD2 3.58Å; L21-T130 HydrophobicContact CD2-CG2 4.24Å
22A92.9Very high92.6Very high9 Ų960.6 Ų60.67%0.07431%0.312CS..Hα-helixtrans-61.5-46.7178.500000111.6W18 H19 K25 L26 L134 F139 M305W18-A22 WeakPolarHBondContact O-CB 3.42Å; W18-A22 PolarHBondContact O-N 3.35Å; H19-A22 PolarHBondContact O-N 2.83Å; A22-K25 PolarHBondContact O-N 2.98Å; A22-L26 WeakPolarHBondContact O-CG 3.48Å; A22-L26 PolarHBondContact O-N 3.14Å; A22-L26 VanDerWaalsContact O-N 3.08Å; A22-L134 HydrophobicContact CB-CD2 3.62Å; A22-F139 HydrophobicContact CB-CE1 4.22Å; A22-F139 HydrophobicContact CB-CZ 4.19Å; A22-M305 HydrophobicContact CB-CE 4.09Å
23D90.8Very high92.6Very high89 Ų8960.9 Ų60.948%0.47631%0.31SS..Hα-helixtrans-60.3-49.6177.3-176.359.6000111.5H19 K25 L26 N27H19-D23 PolarHBondContact O-N 3.47Å; D23-K25 PolarHBondContact O-N 3.43Å; D23-L26 PolarHBondContact O-N 2.99Å; D23-N27 WeakPolarHBondContact O-CB 3.22Å; D23-N27 PolarHBondContact O-N 2.63Å; D23-N27 PolarHBondContact O-ND2 3.48Å; D23-N27 PolarHBondContact OD1-ND2 2.68Å
24R93.6Very high92.3Very high63 Ų6361 Ų6124%0.23832%0.318CS..Hα-helixtrans-63.1-39.7176.2-68.7-175.4-175.1-76.5-6.5112.6G20 L21 L26 N27 E28 Y29 F61G20-R24 WeakPolarHBondContact O-CB 2.91Å; G20-R24 VanDerWaalsContact O-CG 3.31Å; G20-R24 WeakPolarHBondContact O-CG 3.27Å; G20-R24 PolarHBondContact O-N 3.24Å; L21-R24 PolarHBondContact O-N 3.28Å; R24-L26 VanDerWaalsContact C-N 3.29Å; R24-L26 PolarHBondContact O-N 3.05Å; R24-N27 PolarHBondContact O-N 2.81Å; R24-E28 HydrophobicContact CB-CB 4.46Å; R24-E28 WeakPolarHBondContact CG-OE2 3.43Å; R24-E28 IonicContact CZ-OE1 3.71Å; R24-E28 IonicContact CZ-OE2 3.05Å; R24-E28 IonicContact NH1-OE1 2.84Å; R24-E28 PolarHBondContact NH1-OE1 3.43Å; R24-E28 IonicContact NH1-OE2 2.9Å; R24-E28 PolarHBondContact NH1-OE2 2.81Å; R24-E28 CarbonylContact O-C 3.51Å; R24-E28 WeakPolarHBondContact O-CA 3.44Å; R24-E28 WeakPolarHBondContact O-CB 3.47Å; R24-E28 PolarHBondContact O-N 3.3Å; R24-Y29 HydrophobicContact CB-CD2 4.1Å; R24-Y29 HydrophobicContact CB-CE1 4.25Å; R24-Y29 HydrophobicContact CB-CE2 3.77Å; R24-Y29 HydrophobicContact CB-CG 4.49Å; R24-Y29 WeakPolarHBondContact CD-OH 3.35Å; R24-Y29 PolarHBondContact O-N 2.88Å; R24-F61 VanDerWaalsContact NE-CB 3.31Å
25K92.4Very high92.3Very high18 Ų1860.9 Ų60.98%0.07832%0.322CS..Iπ-helixtrans-62.2-38.8178.6-174.759.2176.3175.20111.5L21 A22 D23 R30 S32 S83 N85 L134L21-K25 VanDerWaalsContact O-CB 3.26Å; L21-K25 WeakPolarHBondContact O-CB 3.44Å; L21-K25 PolarHBondContact O-N 3.16Å; A22-K25 PolarHBondContact O-N 2.98Å; D23-K25 PolarHBondContact O-N 3.43Å; K25-R30 WeakPolarHBondContact CE-O 3.29Å; K25-R30 PolarHBondContact NZ-O 2.8Å; K25-R30 WeakPolarHBondContact O-CA 3.22Å; K25-R30 PolarHBondContact O-N 2.86Å; K25-S32 PolarHBondContact NZ-O 2.91Å; K25-S83 PolarHBondContact NZ-O 2.84Å; K25-N85 WeakPolarHBondContact CE-OD1 3.2Å; K25-N85 PolarHBondContact NZ-OD1 3.47Å; K25-L134 HydrophobicContact CB-CD1 4.43Å; K25-L134 HydrophobicContact CG-CD1 4.34Å
26L90.1Very high92.5Very high110 Ų11058.9 Ų58.958%0.57631%0.307SS*.Iπ-helixtrans-74.8-48177.2-70170.3000112.6A22 D23 R24 L134A22-L26 WeakPolarHBondContact O-CG 3.48Å; A22-L26 PolarHBondContact O-N 3.14Å; A22-L26 VanDerWaalsContact O-N 3.08Å; D23-L26 PolarHBondContact O-N 2.99Å; R24-L26 VanDerWaalsContact C-N 3.29Å; R24-L26 PolarHBondContact O-N 3.05Å; L26-L134 HydrophobicContact CD1-CD1 4.03Å; L26-L134 HydrophobicContact CD2-CD1 3.57Å; L26-L134 HydrophobicContact CG-CD1 3.53Å
27N90.5Very high92.6Very high95 Ų9564.9 Ų64.951%0.50833%0.332SS..Iπ-helixtrans-96-36.8-165.2-66.1-40.9000113.4D23 R24D23-N27 WeakPolarHBondContact O-CB 3.22Å; D23-N27 PolarHBondContact O-N 2.63Å; D23-N27 PolarHBondContact O-ND2 3.48Å; D23-N27 PolarHBondContact OD1-ND2 2.68Å; R24-N27 PolarHBondContact O-N 2.81Å
28E91.5Very high92.5Very high102 Ų10265.1 Ų65.148%0.47733%0.333SS..Iπ-helixtrans-107.1-60.2-171.8-60.9-179.3-174.100112.9R24R24-E28 HydrophobicContact CB-CB 4.46Å; R24-E28 WeakPolarHBondContact CG-OE2 3.43Å; R24-E28 IonicContact CZ-OE1 3.71Å; R24-E28 IonicContact CZ-OE2 3.05Å; R24-E28 IonicContact NH1-OE1 2.84Å; R24-E28 PolarHBondContact NH1-OE1 3.43Å; R24-E28 IonicContact NH1-OE2 2.9Å; R24-E28 PolarHBondContact NH1-OE2 2.81Å; R24-E28 CarbonylContact O-C 3.51Å; R24-E28 WeakPolarHBondContact O-CA 3.44Å; R24-E28 WeakPolarHBondContact O-CB 3.47Å; R24-E28 PolarHBondContact O-N 3.3Å
29Y92.1Very high92.4Very high23 Ų2365.3 Ų65.39%0.0934%0.335CS..Iπ-helixtrans-72.6-39.5-172.9-56-21.9000111.8L21 R24 L31 S32 F36 L81L21-Y29 HydrophobicContact CD1-CE2 4.11Å; R24-Y29 HydrophobicContact CB-CD2 4.1Å; R24-Y29 HydrophobicContact CB-CE1 4.25Å; R24-Y29 HydrophobicContact CB-CE2 3.77Å; R24-Y29 HydrophobicContact CB-CG 4.49Å; R24-Y29 WeakPolarHBondContact CD-OH 3.35Å; R24-Y29 PolarHBondContact O-N 2.88Å; Y29-L31 PolarHBondContact O-N 2.83Å; Y29-S32 WeakPolarHBondContact O-CA 3.32Å; Y29-S32 WeakPolarHBondContact O-CB 3.41Å; Y29-S32 PolarHBondContact O-N 2.84Å; Y29-S32 PolarHBondContact O-OG 2.84Å; Y29-F36 AromaticContact CD1-CD1 3.59Å; Y29-F36 HydrophobicContact CD1-CD1 3.59Å; Y29-F36 HydrophobicContact CD1-CD2 4.32Å; Y29-F36 AromaticContact CD1-CE1 3.3Å; Y29-F36 HydrophobicContact CD1-CE1 3.3Å; Y29-F36 HydrophobicContact CD1-CE2 4.07Å; Y29-F36 HydrophobicContact CD1-CG 4.09Å; Y29-F36 AromaticContact CD1-CZ 3.57Å; Y29-F36 HydrophobicContact CD1-CZ 3.57Å; Y29-F36 AromaticContact CD2-CD2 3.85Å; Y29-F36 HydrophobicContact CD2-CD2 3.85Å; Y29-F36 HydrophobicContact CD2-CE1 4.38Å; Y29-F36 AromaticContact CD2-CE2 3.61Å; Y29-F36 HydrophobicContact CD2-CE2 3.61Å; Y29-F36 HydrophobicContact CD2-CG 4.33Å; Y29-F36 AromaticContact CD2-CZ 3.9Å; Y29-F36 HydrophobicContact CD2-CZ 3.9Å; Y29-F36 HydrophobicContact CE1-CB 4.3Å; Y29-F36 AromaticContact CE1-CD1 3.42Å; Y29-F36 HydrophobicContact CE1-CD1 3.42Å; Y29-F36 VanDerWaalsContact CE1-CD1 3.42Å; Y29-F36 HydrophobicContact CE1-CD2 4.22Å; Y29-F36 AromaticContact CE1-CE1 3.69Å; Y29-F36 HydrophobicContact CE1-CE1 3.69Å; Y29-F36 HydrophobicContact CE1-CE2 4.43Å; Y29-F36 AromaticContact CE1-CG 3.71Å; Y29-F36 HydrophobicContact CE1-CG 3.71Å; Y29-F36 HydrophobicContact CE1-CZ 4.19Å; Y29-F36 HydrophobicContact CE2-CB 4.48Å; Y29-F36 HydrophobicContact CE2-CD1 4.43Å; Y29-F36 AromaticContact CE2-CD2 3.73Å; Y29-F36 HydrophobicContact CE2-CD2 3.73Å; Y29-F36 AromaticContact CE2-CE2 4Å; Y29-F36 HydrophobicContact CE2-CE2 4Å; Y29-F36 AromaticContact CE2-CG 3.95Å; Y29-F36 HydrophobicContact CE2-CG 3.95Å; Y29-F36 HydrophobicContact CE2-CZ 4.47Å; Y29-F36 HydrophobicContact CG-CD1 4.19Å; Y29-F36 HydrophobicContact CG-CD2 4.15Å; Y29-F36 AromaticContact CG-CE1 3.7Å; Y29-F36 HydrophobicContact CG-CE1 3.7Å; Y29-F36 AromaticContact CG-CE2 3.64Å; Y29-F36 HydrophobicContact CG-CE2 3.64Å; Y29-F36 HydrophobicContact CG-CG 4.39Å; Y29-F36 AromaticContact CG-CZ 3.39Å; Y29-F36 HydrophobicContact CG-CZ 3.39Å; Y29-F36 AromaticContact CZ-CD1 3.86Å; Y29-F36 AromaticContact CZ-CD2 3.91Å; Y29-F36 AromaticContact CZ-CG 3.61Å; Y29-L81 HydrophobicContact CE2-CD2 4.12Å
30R90.6Very high92.5Very high177 Ų17761.3 Ų61.367%0.66832%0.316SS*.THydrogen-bonded Turntrans53.7-122.3-177.3-53.8173.2-175.2177.9-0.4109.5K25 S32K25-R30 WeakPolarHBondContact CE-O 3.29Å; K25-R30 PolarHBondContact NZ-O 2.8Å; K25-R30 WeakPolarHBondContact O-CA 3.22Å; K25-R30 PolarHBondContact O-N 2.86Å; R30-S32 VanDerWaalsContact C-N 3.29Å; R30-S32 PolarHBondContact O-N 2.84Å
31L92.6Very high92.5Very high142 Ų14262.7 Ų62.774%0.74332%0.319SS*.THydrogen-bonded Turntrans-78.5-9.1177.4-63.4176.4000114Y29 N85Y29-L31 PolarHBondContact O-N 2.83Å; L31-N85 PolarHBondContact O-ND2 2.98Å
32S94Very high92.5Very high68 Ų6862.9 Ų62.948%0.47632%0.32SS..  trans-68.3136.3179-47.60000110.1K25 Y29 R30 F36K25-S32 PolarHBondContact NZ-O 2.91Å; Y29-S32 WeakPolarHBondContact O-CA 3.32Å; Y29-S32 WeakPolarHBondContact O-CB 3.41Å; Y29-S32 PolarHBondContact O-N 2.84Å; Y29-S32 PolarHBondContact O-OG 2.84Å; R30-S32 VanDerWaalsContact C-N 3.29Å; R30-S32 PolarHBondContact O-N 2.84Å; S32-F36 WeakPolarHBondContact O-CZ 3.48Å
33E93.8Very high92.4Very high64 Ų6463.6 Ų63.630%0.29932%0.323SS..  trans-103.7-6.9-173.7-60.7-168.114900113.9F82 S83 L84 N85E33-F82 CarbonylContact O-C 3.46Å; E33-F82 WeakPolarHBondContact O-CA 3.18Å; E33-S83 PolarHBondContact O-N 2.71Å; E33-L84 HydrophobicContact CB-CD2 4.2Å; E33-L84 HydrophobicContact CG-CD2 4.34Å; E33-L84 WeakPolarHBondContact OE2-CD2 3.41Å; E33-N85 VanDerWaalsContact CG-ND2 3.33Å; E33-N85 WeakPolarHBondContact CG-ND2 3.18Å; E33-N85 PolarHBondContact OE1-N 2.85Å; E33-N85 PolarHBondContact OE1-ND2 2.85Å
34G88.3Confident92.5Very high33 Ų3359.5 Ų59.534%0.3430%0.302SS..  trans109.3-169.5-178.900000112.4F36G34-F36 VanDerWaalsContact CA-CE2 3.47Å; G34-F36 VanDerWaalsContact N-CE2 3.27Å
35P93.6Very high92.3Very high74 Ų7458.2 Ų58.248%0.48130%0.302SS..PPolyproline II helixcis-68.8132.55.426-32.9000112.8F82P35-F82 HydrophobicContact CB-CE1 4.05Å; P35-F82 HydrophobicContact CB-CE2 4.21Å; P35-F82 HydrophobicContact CB-CZ 3.59Å; P35-F82 HydrophobicContact CG-CZ 4.25Å
36F94.5Very high92Very high33 Ų3358.9 Ų58.915%0.14531%0.305CS..EExtended strand (participates in β ladder)trans-100.9133167.6-53.2-68.4000109.8Y29 S32 G34 I38 S80 L81Y29-F36 AromaticContact CD1-CD1 3.59Å; Y29-F36 HydrophobicContact CD1-CD1 3.59Å; Y29-F36 HydrophobicContact CD1-CD2 4.32Å; Y29-F36 AromaticContact CD1-CE1 3.3Å; Y29-F36 HydrophobicContact CD1-CE1 3.3Å; Y29-F36 HydrophobicContact CD1-CE2 4.07Å; Y29-F36 HydrophobicContact CD1-CG 4.09Å; Y29-F36 AromaticContact CD1-CZ 3.57Å; Y29-F36 HydrophobicContact CD1-CZ 3.57Å; Y29-F36 AromaticContact CD2-CD2 3.85Å; Y29-F36 HydrophobicContact CD2-CD2 3.85Å; Y29-F36 HydrophobicContact CD2-CE1 4.38Å; Y29-F36 AromaticContact CD2-CE2 3.61Å; Y29-F36 HydrophobicContact CD2-CE2 3.61Å; Y29-F36 HydrophobicContact CD2-CG 4.33Å; Y29-F36 AromaticContact CD2-CZ 3.9Å; Y29-F36 HydrophobicContact CD2-CZ 3.9Å; Y29-F36 HydrophobicContact CE1-CB 4.3Å; Y29-F36 AromaticContact CE1-CD1 3.42Å; Y29-F36 HydrophobicContact CE1-CD1 3.42Å; Y29-F36 VanDerWaalsContact CE1-CD1 3.42Å; Y29-F36 HydrophobicContact CE1-CD2 4.22Å; Y29-F36 AromaticContact CE1-CE1 3.69Å; Y29-F36 HydrophobicContact CE1-CE1 3.69Å; Y29-F36 HydrophobicContact CE1-CE2 4.43Å; Y29-F36 AromaticContact CE1-CG 3.71Å; Y29-F36 HydrophobicContact CE1-CG 3.71Å; Y29-F36 HydrophobicContact CE1-CZ 4.19Å; Y29-F36 HydrophobicContact CE2-CB 4.48Å; Y29-F36 HydrophobicContact CE2-CD1 4.43Å; Y29-F36 AromaticContact CE2-CD2 3.73Å; Y29-F36 HydrophobicContact CE2-CD2 3.73Å; Y29-F36 AromaticContact CE2-CE2 4Å; Y29-F36 HydrophobicContact CE2-CE2 4Å; Y29-F36 AromaticContact CE2-CG 3.95Å; Y29-F36 HydrophobicContact CE2-CG 3.95Å; Y29-F36 HydrophobicContact CE2-CZ 4.47Å; Y29-F36 HydrophobicContact CG-CD1 4.19Å; Y29-F36 HydrophobicContact CG-CD2 4.15Å; Y29-F36 AromaticContact CG-CE1 3.7Å; Y29-F36 HydrophobicContact CG-CE1 3.7Å; Y29-F36 AromaticContact CG-CE2 3.64Å; Y29-F36 HydrophobicContact CG-CE2 3.64Å; Y29-F36 HydrophobicContact CG-CG 4.39Å; Y29-F36 AromaticContact CG-CZ 3.39Å; Y29-F36 HydrophobicContact CG-CZ 3.39Å; Y29-F36 AromaticContact CZ-CD1 3.86Å; Y29-F36 AromaticContact CZ-CD2 3.91Å; Y29-F36 AromaticContact CZ-CG 3.61Å; S32-F36 WeakPolarHBondContact O-CZ 3.48Å; G34-F36 VanDerWaalsContact CA-CE2 3.47Å; G34-F36 VanDerWaalsContact N-CE2 3.27Å; F36-I38 PolarHBondContact O-N 3.13Å; F36-S80 WeakPolarHBondContact O-CA 3.39Å; F36-L81 HydrophobicContact CB-CB 4.21Å; F36-L81 HydrophobicContact CB-CD2 4.38Å; F36-L81 HydrophobicContact CD2-CD2 4.38Å; F36-L81 HydrophobicContact CD2-CG 4.32Å; F36-L81 PolarHBondContact N-O 2.76Å; F36-L81 PolarHBondContact O-N 3.29Å
37E93.8Very high91.8Very high160 Ų16055.2 Ų55.275%0.74829%0.291SS*.EExtended strand (participates in β ladder)trans-72.5128.6179.5-64-164.9134.800110.9
38I94.3Very high91.4Very high5 Ų554.6 Ų54.63%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-136.8160.4173.355.1163.8000110.3F36 S60 F61 G79 L81 F126 L128F36-I38 PolarHBondContact O-N 3.13Å; I38-S60 CarbonylContact C-O 3.56Å; I38-S60 WeakPolarHBondContact CA-O 3.11Å; I38-F61 HydrophobicContact CG2-CD1 3.87Å; I38-F61 HydrophobicContact CG2-CE1 4.1Å; I38-G79 PolarHBondContact N-O 2.94Å; I38-G79 PolarHBondContact O-N 2.72Å; I38-L81 HydrophobicContact CD1-CB 3.82Å; I38-L81 HydrophobicContact CG1-CB 4.02Å; I38-L81 HydrophobicContact CG2-CB 4.1Å; I38-L81 HydrophobicContact CG2-CD2 4.26Å; I38-F126 HydrophobicContact CD1-CE2 3.44Å; I38-F126 VanDerWaalsContact CD1-CE2 3.44Å; I38-F126 HydrophobicContact CD1-CZ 3.62Å; I38-F126 HydrophobicContact CG1-CE2 3.91Å; I38-F126 HydrophobicContact CG1-CZ 3.67Å; I38-L128 HydrophobicContact CD1-CB 4.07Å; I38-L128 HydrophobicContact CD1-CD2 3.95Å
39S93.3Very high91Very high10 Ų1053.5 Ų53.57%0.0731%0.308CS..EExtended strand (participates in β ladder)trans-123.1149.5176.758.80000111.8S60 R68 I77S39-S60 PolarHBondContact N-O 3.35Å; S39-S60 WeakPolarHBondContact O-CA 3.32Å; S39-S60 WeakPolarHBondContact O-CB 3.36Å; S39-S60 PolarHBondContact O-OG 3.37Å; S39-S60 PolarHBondContact OG-O 2.7Å; S39-R68 PolarHBondContact OG-NH1 3.04Å; S39-R68 PolarHBondContact OG-NH2 3.13Å; S39-I77 CarbonylContact C-O 3.54Å; S39-I77 WeakPolarHBondContact CA-O 3.33Å
40A93.7Very high90.7Very high0 Ų054.2 Ų54.20%032%0.315CS..EExtended strand (participates in β ladder)trans-131.2161.1176.900000110.3L54 T55 I56 N76 I77 F126A40-L54 HydrophobicContact CB-CD1 3.69Å; A40-L54 HydrophobicContact CB-CD2 3.68Å; A40-L54 HydrophobicContact CB-CG 3.58Å; A40-T55 WeakPolarHBondContact CA-O 3.26Å; A40-I56 HydrophobicContact CB-CG2 3.56Å; A40-N76 CarbonylContact O-C 3.56Å; A40-N76 WeakPolarHBondContact O-CA 3.36Å; A40-I77 PolarHBondContact N-O 2.89Å; A40-I77 PolarHBondContact O-N 3.07Å; A40-F126 HydrophobicContact CB-CD1 4.23Å; A40-F126 HydrophobicContact CB-CE1 3.52Å; A40-F126 HydrophobicContact CB-CZ 3.77Å
41Q92.2Very high90.6Very high41 Ų4147.9 Ų47.919%0.19230%0.298CS..EExtended strand (participates in β ladder)trans-124140-176.4-59-163.6-43.700112.2T55 R68 I74 F75 N76Q41-T55 PolarHBondContact N-O 2.91Å; Q41-T55 PolarHBondContact O-N 3.43Å; Q41-R68 VanDerWaalsContact CG-NH1 3.3Å; Q41-I74 HydrophobicContact CB-CG2 4.08Å; Q41-I74 HydrophobicContact CG-CG2 4.28Å; Q41-F75 VanDerWaalsContact CA-O 3.31Å; Q41-F75 WeakPolarHBondContact CA-O 3.18Å; Q41-N76 WeakPolarHBondContact CG-OD1 3.44Å; Q41-N76 PolarHBondContact NE2-OD1 2.85Å
42F93.1Very high90.5Very high5 Ų541.2 Ų41.22%0.02226%0.263CS..EExtended strand (participates in β ladder)trans-131.7169.3168.573-88.5000110.3F9 R53 L54 F75 I77 P188 S219 L229F9-F42 HydrophobicContact CE1-CB 4.02Å; F9-F42 HydrophobicContact CE1-CG 4.26Å; F9-F42 HydrophobicContact CZ-CG 4.41Å; F42-R53 WeakPolarHBondContact CB-O 3.25Å; F42-L54 HydrophobicContact CB-CD1 4.1Å; F42-L54 HydrophobicContact CD1-CD1 4.41Å; F42-F75 HydrophobicContact CD1-CB 3.86Å; F42-F75 HydrophobicContact CD2-CB 4.17Å; F42-F75 AromaticContact CD2-CD2 3.99Å; F42-F75 HydrophobicContact CD2-CD2 3.99Å; F42-F75 HydrophobicContact CD2-CG 4.47Å; F42-F75 HydrophobicContact CE1-CB 3.36Å; F42-F75 HydrophobicContact CE1-CG 4.29Å; F42-F75 HydrophobicContact CE2-CB 3.74Å; F42-F75 AromaticContact CE2-CD2 3.56Å; F42-F75 HydrophobicContact CE2-CD2 3.56Å; F42-F75 HydrophobicContact CE2-CE2 4.45Å; F42-F75 AromaticContact CE2-CG 3.83Å; F42-F75 HydrophobicContact CE2-CG 3.83Å; F42-F75 HydrophobicContact CG-CB 4.27Å; F42-F75 HydrophobicContact CZ-CB 3.31Å; F42-F75 AromaticContact CZ-CD2 3.99Å; F42-F75 HydrophobicContact CZ-CD2 3.99Å; F42-F75 AromaticContact CZ-CG 3.74Å; F42-F75 HydrophobicContact CZ-CG 3.74Å; F42-F75 PolarHBondContact N-O 3.09Å; F42-F75 PolarHBondContact O-N 3.17Å; F42-I77 HydrophobicContact CD1-CD1 3.49Å; F42-I77 VanDerWaalsContact CD1-CD1 3.49Å; F42-I77 HydrophobicContact CD1-CG1 3.57Å; F42-I77 HydrophobicContact CE1-CD1 3.62Å; F42-I77 HydrophobicContact CE1-CG1 3.53Å; F42-P188 HydrophobicContact CE2-CB 4.45Å; F42-P188 HydrophobicContact CZ-CB 3.8Å; F42-P188 HydrophobicContact CZ-CG 4.06Å; F42-S219 WeakPolarHBondContact CD2-OG 3.41Å; F42-L229 HydrophobicContact CD2-CD1 4.45Å; F42-L229 HydrophobicContact CE1-CD1 3.93Å; F42-L229 HydrophobicContact CE2-CD1 3.64Å; F42-L229 HydrophobicContact CZ-CD1 3.32Å
43T91.8Very high90.4Very high23 Ų2343 Ų4314%0.14126%0.259CS..EExtended strand (participates in β ladder)trans-135.4155.3174.9-174.50000111.1S45 H46 T73 S219T43-S45 WeakPolarHBondContact OG1-CB 3.25Å; T43-S45 PolarHBondContact OG1-N 3Å; T43-S45 PolarHBondContact OG1-OG 2.84Å; T43-H46 VanDerWaalsContact CG2-CE1 3.5Å; T43-H46 WeakPolarHBondContact CG2-CE1 3.08Å; T43-H46 PolarHBondContact O-CD2 2.87Å; T43-H46 VanDerWaalsContact O-CD2 3.29Å; T43-H46 PolarHBondContact O-NE2 2.69Å; T43-T73 VanDerWaalsContact CA-O 3.27Å; T43-T73 WeakPolarHBondContact CA-O 3.35Å; T43-T73 VanDerWaalsContact CB-O 3.25Å; T43-T73 WeakPolarHBondContact CB-O 3.46Å; T43-T73 PolarHBondContact OG1-O 2.98Å; T43-S219 WeakPolarHBondContact O-CB 3.46Å; T43-S219 PolarHBondContact O-OG 2.9Å
44N91.8Very high90.4Very high4 Ų440 Ų402%0.02125%0.245CC..SBendtrans-97.914.8169.570.4-33.1000112.5F75 C217 D218 L253 R254 D255N44-F75 HydrophobicContact CB-CE2 4.27Å; N44-C217 HydrophobicContact CB-CB 4.08Å; N44-D218 WeakPolarHBondContact CA-O 3.4Å; N44-D218 VanDerWaalsContact CB-O 3.26Å; N44-D218 WeakPolarHBondContact CB-O 3.38Å; N44-L253 PolarHBondContact ND2-O 3.07Å; N44-L253 VanDerWaalsContact ND2-O 3.12Å; N44-R254 CarbonylContact O-C 3.51Å; N44-D255 PolarHBondContact O-N 2.91Å
45S89.5Confident90.7Very high35 Ų3541.2 Ų41.225%0.24525%0.246CC..  trans-103.818.6-175.967.40000114.1T43 D255T43-S45 WeakPolarHBondContact OG1-CB 3.25Å; T43-S45 PolarHBondContact OG1-N 3Å; T43-S45 PolarHBondContact OG1-OG 2.84Å; S45-D255 VanDerWaalsContact CA-O 3.27Å; S45-D255 WeakPolarHBondContact CA-O 3.36Å; S45-D255 WeakPolarHBondContact CB-O 3.26Å
46H87.3Confident90.7Very high32 Ų3237.7 Ų37.715%0.14822%0.223CC..PPolyproline II helixtrans-62.1142.1-177.1-69.7-55.2000112.2T43 R53 S219 V221T43-H46 VanDerWaalsContact CG2-CE1 3.5Å; T43-H46 WeakPolarHBondContact CG2-CE1 3.08Å; T43-H46 PolarHBondContact O-CD2 2.87Å; T43-H46 VanDerWaalsContact O-CD2 3.29Å; T43-H46 PolarHBondContact O-NE2 2.69Å; H46-R53 PolarHBondContact NE2-N 2.91Å; H46-S219 PolarHBondContact CD2-O 2.97Å; H46-S219 VanDerWaalsContact CD2-O 3.31Å; H46-V221 HydrophobicContact CB-CG1 3.85Å
47A85.5Confident90.6Very high34 Ų3438.2 Ų38.228%0.28123%0.228SC..PPolyproline II helixtrans-74.6152.9173.600000111G49 V50A47-G49 PolarHBondContact O-N 3.2Å; A47-V50 HydrophobicContact CB-CG2 4.42Å; A47-V50 WeakPolarHBondContact O-CB 3.31Å; A47-V50 PolarHBondContact O-N 2.8Å
48P82.3Confident90.4Very high82 Ų8234.2 Ų34.253%0.53221%0.214SC..THydrogen-bonded Turntrans-50.9136.6173.5-26.534.7000112.1
49G83.3Confident90.1Very high78 Ų7836.3 Ų36.380%0.80423%0.227SC*.THydrogen-bonded Turntrans86.7-3-178.400000115.7A47A47-G49 PolarHBondContact O-N 3.2Å
50V86.4Confident90Very high39 Ų3936 Ų3624%0.23623%0.225CC..PPolyproline II helixtrans-98.8121.1175-175.90000109.8A47 V221A47-V50 HydrophobicContact CB-CG2 4.42Å; A47-V50 WeakPolarHBondContact O-CB 3.31Å; A47-V50 PolarHBondContact O-N 2.8Å; V50-V221 WeakPolarHBondContact O-CG2 3.34Å
51S86.7Confident89.9Confident43 Ų4336.7 Ų36.730%0.30123%0.228SC..PPolyproline II helixtrans-59152.7172.2-590000111.3E10 R53E10-S51 WeakPolarHBondContact OE1-CB 3.46Å; E10-S51 PolarHBondContact OE1-OG 2.87Å; S51-R53 WeakPolarHBondContact O-CG 3.29Å; S51-R53 PolarHBondContact O-N 3.27Å
52P91.3Very high88.9Confident2 Ų237.5 Ų37.51%0.01324%0.237CC..PPolyproline II helixtrans-50.6125.2171.1-26.534.2000111.4I7 F9 E10 C227I7-P52 HydrophobicContact CB-CG 4.19Å; I7-P52 HydrophobicContact CG2-CG 3.65Å; F9-P52 WeakPolarHBondContact CA-O 3.3Å; F9-P52 HydrophobicContact CD1-CB 3.76Å; F9-P52 HydrophobicContact CE1-CB 4.04Å; E10-P52 PolarHBondContact N-O 2.9Å; P52-C227 HydrophobicContact CG-CB 4.32Å
53R92.1Very high87.2Confident107 Ų10743.1 Ų43.140%0.40427%0.268SS..EExtended strand (participates in β ladder)trans-113.1137.3-179-74.1172-178.9-175.44.3112.4E10 V12 F42 H46 S51E10-R53 VanDerWaalsContact O-CA 3.31Å; E10-R53 WeakPolarHBondContact O-CA 3.39Å; V12-R53 HydrophobicContact CG2-CB 4.34Å; V12-R53 HydrophobicContact CG2-CG 4Å; F42-R53 WeakPolarHBondContact CB-O 3.25Å; H46-R53 PolarHBondContact NE2-N 2.91Å; S51-R53 WeakPolarHBondContact O-CG 3.29Å; S51-R53 PolarHBondContact O-N 3.27Å
54L93.4Very high85.2Confident0 Ų046.5 Ų46.50%029%0.292CS..EExtended strand (participates in β ladder)trans-110.3121.9165.5-168.772000108.9F9 E10 T11 V12 A40 F42 I77 F126 F145F9-L54 HydrophobicContact CB-CB 4.25Å; F9-L54 HydrophobicContact CD1-CB 4.22Å; F9-L54 HydrophobicContact CG-CB 4.31Å; E10-L54 PolarHBondContact O-N 2.95Å; T11-L54 WeakPolarHBondContact CA-O 3.41Å; V12-L54 PolarHBondContact N-O 3.23Å; A40-L54 HydrophobicContact CB-CD1 3.69Å; A40-L54 HydrophobicContact CB-CD2 3.68Å; A40-L54 HydrophobicContact CB-CG 3.58Å; F42-L54 HydrophobicContact CB-CD1 4.1Å; F42-L54 HydrophobicContact CD1-CD1 4.41Å; L54-I77 HydrophobicContact CD1-CB 4.44Å; L54-I77 HydrophobicContact CD1-CD1 3.73Å; L54-I77 HydrophobicContact CD1-CG1 4.22Å; L54-F126 HydrophobicContact CD2-CD1 4.34Å; L54-F126 HydrophobicContact CD2-CG 4.36Å; L54-F145 HydrophobicContact CD2-CD1 4.38Å; L54-F145 HydrophobicContact CD2-CE1 3.44Å; L54-F145 VanDerWaalsContact CD2-CE1 3.44Å; L54-F145 HydrophobicContact CD2-CZ 4.12Å
55T94Very high83Confident58 Ų5851 Ų5136%0.35632%0.324SS..EExtended strand (participates in β ladder)trans-108.2136.7-174.8-49.70000110.9V12 A40 Q41V12-T55 VanDerWaalsContact O-CA 3.31Å; V12-T55 WeakPolarHBondContact O-CA 3.5Å; A40-T55 WeakPolarHBondContact CA-O 3.26Å; Q41-T55 PolarHBondContact N-O 2.91Å; Q41-T55 PolarHBondContact O-N 3.43Å
56I94.5Very high81Confident0 Ų053.7 Ų53.70%034%0.339CS..EExtended strand (participates in β ladder)trans-127.2144.7170.470.8-175000110.3V12 I13 D14 F17 A40 S60 L128 F143V12-I56 PolarHBondContact O-N 3.26Å; I13-I56 HydrophobicContact CB-CD1 4.08Å; I13-I56 HydrophobicContact CB-CG1 3.97Å; I13-I56 HydrophobicContact CD1-CD1 3.91Å; I13-I56 HydrophobicContact CG1-CD1 3.57Å; I13-I56 HydrophobicContact CG1-CG1 3.82Å; I13-I56 HydrophobicContact CG2-CD1 3.68Å; I13-I56 HydrophobicContact CG2-CG1 3.69Å; D14-I56 PolarHBondContact N-O 3.01Å; F17-I56 HydrophobicContact CB-CG1 4.4Å; F17-I56 HydrophobicContact CD1-CD1 3.81Å; F17-I56 HydrophobicContact CD1-CG1 4.34Å; F17-I56 HydrophobicContact CD2-CB 4.25Å; F17-I56 HydrophobicContact CD2-CD1 3.98Å; F17-I56 HydrophobicContact CD2-CG1 4.03Å; F17-I56 HydrophobicContact CE1-CD1 3.79Å; F17-I56 HydrophobicContact CE2-CD1 3.95Å; F17-I56 HydrophobicContact CE2-CG1 4.42Å; F17-I56 HydrophobicContact CG-CD1 3.92Å; F17-I56 HydrophobicContact CG-CG1 3.98Å; F17-I56 HydrophobicContact CZ-CD1 3.87Å; A40-I56 HydrophobicContact CB-CG2 3.56Å; I56-S60 WeakPolarHBondContact CA-OG 3.45Å; I56-S60 WeakPolarHBondContact CB-OG 3.23Å; I56-L128 HydrophobicContact CD1-CD2 4.17Å; I56-F143 HydrophobicContact CD1-CE2 3.99Å; I56-F143 HydrophobicContact CD1-CZ 3.57Å; I56-F143 HydrophobicContact CG2-CZ 4.32Å
57D92.6Very high79.1Confident45 Ų4560.8 Ų60.824%0.24137%0.369CS..  trans-146-172.9-17964.325000110.7D14 T59 S60D14-D57 HydrophobicContact CB-CB 4Å; D57-T59 PolarHBondContact O-N 3.49Å; D57-T59 VanDerWaalsContact O-N 3.16Å; D57-T59 VanDerWaalsContact OD1-CA 3.3Å; D57-T59 WeakPolarHBondContact OD1-CA 3.35Å; D57-T59 VanDerWaalsContact OD1-CB 3.23Å; D57-T59 WeakPolarHBondContact OD1-CB 3.18Å; D57-T59 PolarHBondContact OD1-N 3.26Å; D57-T59 PolarHBondContact OD1-OG1 3.02Å; D57-S60 PolarHBondContact N-OG 2.87Å; D57-S60 VanDerWaalsContact N-OG 3.12Å; D57-S60 WeakPolarHBondContact O-CB 3.26Å; D57-S60 PolarHBondContact O-N 2.97Å; D57-S60 PolarHBondContact O-OG 2.82Å; D57-S60 PolarHBondContact OD1-N 3.12Å
58V88.6Confident77.6Confident76 Ų7661.2 Ų61.246%0.46136%0.364SS..G310 helixtrans-57.3-28.4177.368.30000113.7S16 S60 F61S16-V58 PolarHBondContact OG-N 3.01Å; V58-S60 PolarHBondContact O-N 3.14Å; V58-F61 WeakPolarHBondContact O-CD2 3.38Å
59T89Confident76Confident49 Ų4962.3 Ų62.330%0.30137%0.373SS..G310 helixtrans-73.4-14.5178.680.50000111.9D57 F61 C62 R68D57-T59 PolarHBondContact O-N 3.49Å; D57-T59 VanDerWaalsContact O-N 3.16Å; D57-T59 VanDerWaalsContact OD1-CA 3.3Å; D57-T59 WeakPolarHBondContact OD1-CA 3.35Å; D57-T59 VanDerWaalsContact OD1-CB 3.23Å; D57-T59 WeakPolarHBondContact OD1-CB 3.18Å; D57-T59 PolarHBondContact OD1-N 3.26Å; D57-T59 PolarHBondContact OD1-OG1 3.02Å; T59-F61 PolarHBondContact O-N 3.08Å; T59-C62 WeakPolarHBondContact O-CB 3.41Å; T59-C62 PolarHBondContact O-N 2.79Å; T59-R68 PolarHBondContact O-NH2 2.87Å; T59-R68 PolarHBondContact OG1-NE 2.84Å; T59-R68 PolarHBondContact OG1-NH2 2.77Å; T59-R68 VanDerWaalsContact OG1-NH2 3.1Å
60S92Very high74.6Confident3 Ų364.6 Ų64.62%0.02136%0.362CS..G310 helixtrans-58.2-25.6177.3-70.70000113.7I38 S39 I56 D57 V58I38-S60 CarbonylContact C-O 3.56Å; I38-S60 WeakPolarHBondContact CA-O 3.11Å; S39-S60 PolarHBondContact N-O 3.35Å; S39-S60 WeakPolarHBondContact O-CA 3.32Å; S39-S60 WeakPolarHBondContact O-CB 3.36Å; S39-S60 PolarHBondContact O-OG 3.37Å; S39-S60 PolarHBondContact OG-O 2.7Å; I56-S60 WeakPolarHBondContact CA-OG 3.45Å; I56-S60 WeakPolarHBondContact CB-OG 3.23Å; D57-S60 PolarHBondContact N-OG 2.87Å; D57-S60 VanDerWaalsContact N-OG 3.12Å; D57-S60 WeakPolarHBondContact O-CB 3.26Å; D57-S60 PolarHBondContact O-N 2.97Å; D57-S60 PolarHBondContact O-OG 2.82Å; D57-S60 PolarHBondContact OD1-N 3.12Å; V58-S60 PolarHBondContact O-N 3.14Å
61F89.9Confident73.3Confident14 Ų1465.6 Ų65.66%0.06137%0.368CS..G310 helixtrans-85-9.4177-56.7-73.4000114.2F17 L21 R24 I38 V58 T59 N63 L81F17-F61 HydrophobicContact CD2-CE1 4.45Å; F17-F61 AromaticContact CD2-CE2 3.61Å; F17-F61 HydrophobicContact CD2-CE2 3.61Å; F17-F61 AromaticContact CD2-CZ 3.56Å; F17-F61 HydrophobicContact CD2-CZ 3.56Å; F17-F61 HydrophobicContact CE1-CZ 4.42Å; F17-F61 AromaticContact CE2-CE1 3.77Å; F17-F61 HydrophobicContact CE2-CE1 3.77Å; F17-F61 AromaticContact CE2-CE2 3.78Å; F17-F61 HydrophobicContact CE2-CE2 3.78Å; F17-F61 AromaticContact CE2-CZ 3.25Å; F17-F61 HydrophobicContact CE2-CZ 3.25Å; F17-F61 HydrophobicContact CG-CE2 4.31Å; F17-F61 HydrophobicContact CG-CZ 4.26Å; F17-F61 HydrophobicContact CZ-CE1 4.17Å; F17-F61 AromaticContact CZ-CZ 3.73Å; F17-F61 HydrophobicContact CZ-CZ 3.73Å; F17-F61 WeakPolarHBondContact O-CE2 3.24Å; L21-F61 HydrophobicContact CB-CZ 3.89Å; L21-F61 HydrophobicContact CD1-CE1 4.38Å; L21-F61 HydrophobicContact CD1-CZ 4.49Å; R24-F61 VanDerWaalsContact NE-CB 3.31Å; I38-F61 HydrophobicContact CG2-CD1 3.87Å; I38-F61 HydrophobicContact CG2-CE1 4.1Å; V58-F61 WeakPolarHBondContact O-CD2 3.38Å; T59-F61 PolarHBondContact O-N 3.08Å; F61-N63 PolarHBondContact O-N 2.86Å; F61-L81 HydrophobicContact CE1-CD2 4.12Å
62C70.9Confident72.3Confident59 Ų5966.7 Ų66.740%0.39938%0.376SS..SBendtrans-67135.4-177.2-67.10000110.8T59 S64 V66T59-C62 WeakPolarHBondContact O-CB 3.41Å; T59-C62 PolarHBondContact O-N 2.79Å; C62-S64 PolarHBondContact O-N 3.19Å; C62-V66 HydrophobicContact CB-CG2 4.33Å
63N57.8Low71.7Confident123 Ų12367.6 Ų67.666%0.65838%0.382SS*.  trans-51.9140.8169-79.4-16.1000109.7F61 S65 V66F61-N63 PolarHBondContact O-N 2.86Å; N63-S65 PolarHBondContact O-N 2.82Å; N63-V66 PolarHBondContact O-N 2.91Å; N63-V66 VanDerWaalsContact O-N 3.08Å
64S51.4Low71.5Confident94 Ų9465.7 Ų65.766%0.65738%0.379SS*.THydrogen-bonded Turntrans-51.1-8.2179.447.90000115.3C62C62-S64 PolarHBondContact O-N 3.19Å
65S43.8Very low71.3Confident97 Ų9765.8 Ų65.868%0.67838%0.379SS*.THydrogen-bonded Turntrans-74.5-20.1174.853.20000114.9N63 K67N63-S65 PolarHBondContact O-N 2.82Å; S65-K67 PolarHBondContact O-N 2.97Å; S65-K67 VanDerWaalsContact O-N 3.14Å
66V48.1Very low71.1Confident92 Ų9265 Ų6556%0.55837%0.373SS*.SBendtrans-80.398.6173.1-1740000108.5C62 N63 R68C62-V66 HydrophobicContact CB-CG2 4.33Å; N63-V66 PolarHBondContact O-N 2.91Å; N63-V66 VanDerWaalsContact O-N 3.08Å; V66-R68 VanDerWaalsContact C-N 3.33Å; V66-R68 PolarHBondContact O-N 2.91Å
67K48.1Very low70.9Confident182 Ų18265.3 Ų65.379%0.79138%0.375SS*.  trans-60.694.4172.3-71-173179-176.30109.1S65 S69S65-K67 PolarHBondContact O-N 2.97Å; S65-K67 VanDerWaalsContact O-N 3.14Å; K67-S69 PolarHBondContact O-N 2.82Å
68R52.4Low70.9Confident43 Ų4367.2 Ų67.216%0.16238%0.379CS..  trans-58.2137.4170.5-69.2-170.2-178.31476108.5S39 Q41 T59 V66 H70 N76S39-R68 PolarHBondContact OG-NH1 3.04Å; S39-R68 PolarHBondContact OG-NH2 3.13Å; Q41-R68 VanDerWaalsContact CG-NH1 3.3Å; T59-R68 PolarHBondContact O-NH2 2.87Å; T59-R68 PolarHBondContact OG1-NE 2.84Å; T59-R68 PolarHBondContact OG1-NH2 2.77Å; T59-R68 VanDerWaalsContact OG1-NH2 3.1Å; V66-R68 VanDerWaalsContact C-N 3.33Å; V66-R68 PolarHBondContact O-N 2.91Å; R68-H70 PolarHBondContact O-N 2.77Å; R68-N76 PolarHBondContact NH1-OD1 2.81Å
69S49.4Very low71.1Confident104 Ų10463.8 Ų63.873%0.72736%0.359SS*.  trans-46.2116177.7177.90000110K67 T71K67-S69 PolarHBondContact O-N 2.82Å; S69-T71 PolarHBondContact O-N 2.89Å
70H53.5Low71.4Confident127 Ų12763 Ų6359%0.58836%0.355SS*.  trans-74.181.9177.6-62.4-72.5000108.6R68R68-H70 PolarHBondContact O-N 2.77Å
71T60.2Low71.6Confident59 Ų5962.8 Ų62.836%0.36235%0.354SS..  trans-71.5143.7159.257.20000107.9S69 T73 I74S69-T71 PolarHBondContact O-N 2.89Å; T71-T73 PolarHBondContact O-N 3.05Å; T71-I74 PolarHBondContact O-N 2.93Å; T71-I74 WeakPolarHBondContact OG1-CD1 3.21Å; T71-I74 WeakPolarHBondContact OG1-CG1 3.46Å
72S65.1Low71.9Confident67 Ų6763.2 Ų63.247%0.46936%0.356SS..THydrogen-bonded Turntrans-61.7-15.2-171.254.10000114.2R182S72-R182 VanDerWaalsContact O-CZ 3.3Å; S72-R182 PolarHBondContact O-NE 3.29Å; S72-R182 VanDerWaalsContact O-NE 3.16Å; S72-R182 PolarHBondContact O-NH2 3.36Å
73T78.6Confident73.1Confident21 Ų2160.4 Ų60.413%0.12934%0.337CS..THydrogen-bonded Turntrans-117.42.4-17260.40000114.9T43 T71 F75 F257T43-T73 VanDerWaalsContact CA-O 3.27Å; T43-T73 WeakPolarHBondContact CA-O 3.35Å; T43-T73 VanDerWaalsContact CB-O 3.25Å; T43-T73 WeakPolarHBondContact CB-O 3.46Å; T43-T73 PolarHBondContact OG1-O 2.98Å; T71-T73 PolarHBondContact O-N 3.05Å; T73-F75 WeakPolarHBondContact O-CE2 3.35Å; T73-F257 HydrophobicContact CG2-CD2 4.02Å; T73-F257 HydrophobicContact CG2-CE2 4.04Å
74I87.1Confident75Confident66 Ų6655.1 Ų55.134%0.33831%0.309SS..EExtended strand (participates in β ladder)trans-103.3135.1178.3-61.5179.2000110.6Q41 T71Q41-I74 HydrophobicContact CB-CG2 4.08Å; Q41-I74 HydrophobicContact CG-CG2 4.28Å; T71-I74 PolarHBondContact O-N 2.93Å; T71-I74 WeakPolarHBondContact OG1-CD1 3.21Å; T71-I74 WeakPolarHBondContact OG1-CG1 3.46Å
75F89.8Confident77Confident2 Ų253.4 Ų53.41%0.00929%0.292CS..EExtended strand (participates in β ladder)trans-125.5143.5-179.8-55.5-85000110.1Q41 F42 N44 T73 P188 C217Q41-F75 VanDerWaalsContact CA-O 3.31Å; Q41-F75 WeakPolarHBondContact CA-O 3.18Å; F42-F75 HydrophobicContact CD1-CB 3.86Å; F42-F75 HydrophobicContact CD2-CB 4.17Å; F42-F75 AromaticContact CD2-CD2 3.99Å; F42-F75 HydrophobicContact CD2-CD2 3.99Å; F42-F75 HydrophobicContact CD2-CG 4.47Å; F42-F75 HydrophobicContact CE1-CB 3.36Å; F42-F75 HydrophobicContact CE1-CG 4.29Å; F42-F75 HydrophobicContact CE2-CB 3.74Å; F42-F75 AromaticContact CE2-CD2 3.56Å; F42-F75 HydrophobicContact CE2-CD2 3.56Å; F42-F75 HydrophobicContact CE2-CE2 4.45Å; F42-F75 AromaticContact CE2-CG 3.83Å; F42-F75 HydrophobicContact CE2-CG 3.83Å; F42-F75 HydrophobicContact CG-CB 4.27Å; F42-F75 HydrophobicContact CZ-CB 3.31Å; F42-F75 AromaticContact CZ-CD2 3.99Å; F42-F75 HydrophobicContact CZ-CD2 3.99Å; F42-F75 AromaticContact CZ-CG 3.74Å; F42-F75 HydrophobicContact CZ-CG 3.74Å; F42-F75 PolarHBondContact N-O 3.09Å; F42-F75 PolarHBondContact O-N 3.17Å; N44-F75 HydrophobicContact CB-CE2 4.27Å; T73-F75 WeakPolarHBondContact O-CE2 3.35Å; F75-P188 HydrophobicContact CD1-CB 3.8Å; F75-P188 HydrophobicContact CE1-CB 4.15Å; F75-P188 HydrophobicContact CG-CB 4.19Å; F75-C217 HydrophobicContact CD2-CB 4.35Å; F75-C217 HydrophobicContact CE1-CB 3.87Å; F75-C217 HydrophobicContact CE2-CB 3.58Å; F75-C217 HydrophobicContact CZ-CB 3.3Å; F75-C217 WeakPolarHBondContact CZ-SG 3.47Å
76N89.4Confident79.5Confident43 Ų4350.4 Ų50.423%0.2327%0.271CS..EExtended strand (participates in β ladder)trans-101.5141.4179.4-61.5-48000110.4A40 Q41 R68A40-N76 CarbonylContact O-C 3.56Å; A40-N76 WeakPolarHBondContact O-CA 3.36Å; Q41-N76 WeakPolarHBondContact CG-OD1 3.44Å; Q41-N76 PolarHBondContact NE2-OD1 2.85Å; R68-N76 PolarHBondContact NH1-OD1 2.81Å
77I91.7Very high81.7Confident5 Ų548.2 Ų48.23%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-120.5137.4169.1-55.8-174.7000107.2F9 S39 A40 F42 L54 L124 F126 L229F9-I77 HydrophobicContact CE2-CD1 4.49Å; F9-I77 HydrophobicContact CZ-CD1 4.5Å; S39-I77 CarbonylContact C-O 3.54Å; S39-I77 WeakPolarHBondContact CA-O 3.33Å; A40-I77 PolarHBondContact N-O 2.89Å; A40-I77 PolarHBondContact O-N 3.07Å; F42-I77 HydrophobicContact CD1-CD1 3.49Å; F42-I77 VanDerWaalsContact CD1-CD1 3.49Å; F42-I77 HydrophobicContact CD1-CG1 3.57Å; F42-I77 HydrophobicContact CE1-CD1 3.62Å; F42-I77 HydrophobicContact CE1-CG1 3.53Å; L54-I77 HydrophobicContact CD1-CB 4.44Å; L54-I77 HydrophobicContact CD1-CD1 3.73Å; L54-I77 HydrophobicContact CD1-CG1 4.22Å; I77-L124 HydrophobicContact CG1-CB 4.44Å; I77-L124 HydrophobicContact CG2-CB 4.11Å; I77-L124 VanDerWaalsContact CG2-O 3.25Å; I77-L124 WeakPolarHBondContact CG2-O 3.44Å; I77-F126 HydrophobicContact CB-CD1 4.32Å; I77-F126 HydrophobicContact CG2-CD1 3.76Å; I77-F126 HydrophobicContact CG2-CE1 4.47Å; I77-L229 HydrophobicContact CD1-CD2 3.79Å
78Y92.1Very high83.9Confident85 Ų8544 Ų4433%0.33324%0.242SC..EExtended strand (participates in β ladder)trans-99.4140.5177.3-64-79000110.3R125 F126Y78-R125 WeakPolarHBondContact O-CA 3.39Å; Y78-R125 WeakPolarHBondContact O-CD 3.45Å; Y78-F126 PolarHBondContact O-N 3.23Å
79G92.9Very high85.9Confident5 Ų546 Ų465%0.05225%0.254CS..EExtended strand (participates in β ladder)trans-144.2173.1-177.100000113.6I38 F126I38-G79 PolarHBondContact N-O 2.94Å; I38-G79 PolarHBondContact O-N 2.72Å; G79-F126 CarbonylContact C-O 3.35Å; G79-F126 VanDerWaalsContact CA-CE1 3.5Å; G79-F126 WeakPolarHBondContact CA-O 3.37Å; G79-F126 VanDerWaalsContact N-CE1 3.33Å
80S95Very high88.2Confident31 Ų3141.3 Ų41.322%0.21722%0.22CC..EExtended strand (participates in β ladder)trans-114.5122.7179.4-600000110F36 F126 I127 L128F36-S80 WeakPolarHBondContact O-CA 3.39Å; S80-F126 PolarHBondContact N-O 3.43Å; S80-I127 WeakPolarHBondContact O-CA 3.21Å; S80-L128 PolarHBondContact O-N 3.16Å
81L96.5Very high90.1Very high0 Ų040.8 Ų40.80%022%0.216CC..EExtended strand (participates in β ladder)trans-91.4128172.8166.868.1000109.9L21 Y29 F36 I38 F61 L128 T130L21-L81 HydrophobicContact CD1-CD2 3.58Å; Y29-L81 HydrophobicContact CE2-CD2 4.12Å; F36-L81 HydrophobicContact CB-CB 4.21Å; F36-L81 HydrophobicContact CB-CD2 4.38Å; F36-L81 HydrophobicContact CD2-CD2 4.38Å; F36-L81 HydrophobicContact CD2-CG 4.32Å; F36-L81 PolarHBondContact N-O 2.76Å; F36-L81 PolarHBondContact O-N 3.29Å; I38-L81 HydrophobicContact CD1-CB 3.82Å; I38-L81 HydrophobicContact CG1-CB 4.02Å; I38-L81 HydrophobicContact CG2-CB 4.1Å; I38-L81 HydrophobicContact CG2-CD2 4.26Å; F61-L81 HydrophobicContact CE1-CD2 4.12Å; L81-L128 CarbonylContact C-O 3.53Å; L81-L128 WeakPolarHBondContact CA-O 3.49Å; L81-L128 HydrophobicContact CD1-CB 4.26Å; L81-L128 HydrophobicContact CD1-CD2 3.81Å; L81-L128 HydrophobicContact CD1-CG 3.7Å; L81-T130 HydrophobicContact CD1-CG2 3.79Å
82F97Very high91.8Very high23 Ų2344.3 Ų44.310%0.10123%0.233CC..EExtended strand (participates in β ladder)trans-112114.3170.6-71.4-84.2000109.3E33 P35 L98 H102 I127 L128 L129 T130E33-F82 CarbonylContact O-C 3.46Å; E33-F82 WeakPolarHBondContact O-CA 3.18Å; P35-F82 HydrophobicContact CB-CE1 4.05Å; P35-F82 HydrophobicContact CB-CE2 4.21Å; P35-F82 HydrophobicContact CB-CZ 3.59Å; P35-F82 HydrophobicContact CG-CZ 4.25Å; F82-L98 HydrophobicContact CD2-CD1 4.41Å; F82-L98 HydrophobicContact CD2-CD2 4.47Å; F82-L98 HydrophobicContact CE1-CD1 4.32Å; F82-L98 HydrophobicContact CE2-CD1 4.15Å; F82-L98 HydrophobicContact CZ-CD1 4.13Å; F82-H102 AromaticContact CE2-CE1 3.67Å; F82-H102 AromaticContact CE2-NE2 3.53Å; F82-H102 AromaticContact CZ-CE1 3.23Å; F82-H102 WeakPolarHBondContact CZ-CE1 3.46Å; F82-H102 AromaticContact CZ-NE2 3.11Å; F82-H102 WeakPolarHBondContact CZ-NE2 3.26Å; F82-I127 HydrophobicContact CD2-CG2 3.8Å; F82-I127 HydrophobicContact CE2-CG2 4.05Å; F82-L128 PolarHBondContact N-O 2.79Å; F82-L129 HydrophobicContact CB-CD1 3.69Å; F82-L129 CarbonylContact O-C 3.6Å; F82-T130 PolarHBondContact O-N 3.47Å; F82-T130 PolarHBondContact O-OG1 2.6Å
83S96Very high93.1Very high0 Ų043 Ų430%022%0.222CC..EExtended strand (participates in β ladder)trans-114.691.4179.7-174.80000111.3K25 E33 T130K25-S83 PolarHBondContact NZ-O 2.84Å; E33-S83 PolarHBondContact O-N 2.71Å; S83-T130 CarbonylContact C-O 3.57Å; S83-T130 WeakPolarHBondContact CA-O 3.35Å; S83-T130 WeakPolarHBondContact CA-OG1 3.47Å; S83-T130 WeakPolarHBondContact CB-OG1 3.5Å
84L96.7Very high93.9Very high12 Ų1246.6 Ų46.66%0.06324%0.24CC..EExtended strand (participates in β ladder)trans-67.6156.4-179.5-56.2178.7000111.9E33 E89 F90 V93 L129 T130E33-L84 HydrophobicContact CB-CD2 4.2Å; E33-L84 HydrophobicContact CG-CD2 4.34Å; E33-L84 WeakPolarHBondContact OE2-CD2 3.41Å; L84-E89 HydrophobicContact CB-CB 4.37Å; L84-E89 HydrophobicContact CD1-CB 4.33Å; L84-F90 VanDerWaalsContact CD1-CA 3.41Å; L84-F90 HydrophobicContact CD1-CB 3.96Å; L84-F90 HydrophobicContact CD1-CD2 4.28Å; L84-V93 HydrophobicContact CD1-CB 4.36Å; L84-V93 HydrophobicContact CD1-CG1 4.11Å; L84-L129 HydrophobicContact CD1-CD1 3.79Å; L84-L129 HydrophobicContact CG-CD1 4.04Å; L84-T130 PolarHBondContact N-O 2.94Å
85N94.4Very high94.2Very high57 Ų5745.4 Ų45.431%0.30523%0.233SC..SBendtrans-90.5-24.8-172.1-66.5-58.1000113.7K25 L31 E33 E89 Y131K25-N85 WeakPolarHBondContact CE-OD1 3.2Å; K25-N85 PolarHBondContact NZ-OD1 3.47Å; L31-N85 PolarHBondContact O-ND2 2.98Å; E33-N85 VanDerWaalsContact CG-ND2 3.33Å; E33-N85 WeakPolarHBondContact CG-ND2 3.18Å; E33-N85 PolarHBondContact OE1-N 2.85Å; E33-N85 PolarHBondContact OE1-ND2 2.85Å; N85-E89 PolarHBondContact N-OE2 3.43Å; N85-Y131 WeakPolarHBondContact O-CE2 3.06Å
86S94.6Very high94.5Very high34 Ų3448.6 Ų48.624%0.23825%0.247CC..SBendtrans-130.5157.5179.671.90000113.1D88 E89 F90 Y131S86-D88 PolarHBondContact O-N 2.86Å; S86-E89 WeakPolarHBondContact CB-OE2 3.4Å; S86-E89 PolarHBondContact N-OE2 2.86Å; S86-E89 WeakPolarHBondContact OG-CB 3.26Å; S86-E89 WeakPolarHBondContact OG-CG 3.45Å; S86-E89 PolarHBondContact OG-N 3.21Å; S86-E89 VanDerWaalsContact OG-N 3.11Å; S86-E89 PolarHBondContact OG-OE2 3.37Å; S86-F90 PolarHBondContact O-N 2.88Å; S86-Y131 VanDerWaalsContact C-CE2 3.47Å
87L95Very high94.7Very high46 Ų4648.9 Ų48.924%0.24125%0.253CS..Hα-helixtrans-66.1-31174.7-177.658.7000111.9F90 K91 Y131 Y140L87-F90 PolarHBondContact O-N 3.34Å; L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 3.33Å; L87-K91 VanDerWaalsContact O-N 3.13Å; L87-Y131 HydrophobicContact CB-CD1 3.93Å; L87-Y131 HydrophobicContact CB-CE1 3.57Å; L87-Y131 HydrophobicContact CD1-CD1 3.8Å; L87-Y131 HydrophobicContact CD1-CE1 4.07Å; L87-Y131 HydrophobicContact CG-CD1 4.45Å; L87-Y131 HydrophobicContact CG-CE1 4.31Å; L87-Y140 HydrophobicContact CD1-CD1 3.84Å; L87-Y140 HydrophobicContact CD1-CD2 4.4Å; L87-Y140 HydrophobicContact CD1-CE1 3.84Å; L87-Y140 HydrophobicContact CD1-CE2 4.38Å; L87-Y140 HydrophobicContact CD1-CG 4.15Å
88D95.3Very high94.8Very high94 Ų9449.5 Ų49.550%0.50326%0.256SS..Hα-helixtrans-74.2-43.6-178-63.3-31000110.6S86 F90 K91 D92S86-D88 PolarHBondContact O-N 2.86Å; D88-F90 PolarHBondContact O-N 3.44Å; D88-K91 WeakPolarHBondContact O-CB 3.44Å; D88-K91 PolarHBondContact O-N 3.1Å; D88-K91 IonicContact OD1-NZ 2.85Å; D88-K91 PolarHBondContact OD1-NZ 2.82Å; D88-D92 WeakPolarHBondContact O-CB 3.42Å; D88-D92 VanDerWaalsContact O-CG 3.24Å; D88-D92 PolarHBondContact O-N 2.95Å
89E94.4Very high95Very high85 Ų8545.5 Ų45.540%0.39724%0.24SC..Hα-helixtrans-54.9-41.1169.1-72.5157.1171.800111.8L84 N85 S86 K91 D92 V93L84-E89 HydrophobicContact CB-CB 4.37Å; L84-E89 HydrophobicContact CD1-CB 4.33Å; N85-E89 PolarHBondContact N-OE2 3.43Å; S86-E89 WeakPolarHBondContact CB-OE2 3.4Å; S86-E89 PolarHBondContact N-OE2 2.86Å; S86-E89 WeakPolarHBondContact OG-CB 3.26Å; S86-E89 WeakPolarHBondContact OG-CG 3.45Å; S86-E89 PolarHBondContact OG-N 3.21Å; S86-E89 VanDerWaalsContact OG-N 3.11Å; S86-E89 PolarHBondContact OG-OE2 3.37Å; E89-K91 VanDerWaalsContact C-N 3.31Å; E89-K91 PolarHBondContact O-N 3.3Å; E89-D92 PolarHBondContact O-N 3.22Å; E89-V93 WeakPolarHBondContact O-CB 3.39Å; E89-V93 PolarHBondContact O-N 3.07Å
90F95.8Very high95.1Very high6 Ų647.1 Ų47.13%0.02625%0.248CC..Hα-helixtrans-65-32.1177.3-177.8-86.7000113.8L84 S86 L87 D88 V93 K95 L129 P296L84-F90 VanDerWaalsContact CD1-CA 3.41Å; L84-F90 HydrophobicContact CD1-CB 3.96Å; L84-F90 HydrophobicContact CD1-CD2 4.28Å; S86-F90 PolarHBondContact O-N 2.88Å; L87-F90 PolarHBondContact O-N 3.34Å; D88-F90 PolarHBondContact O-N 3.44Å; F90-V93 WeakPolarHBondContact O-CG1 3.39Å; F90-K95 PolarHBondContact O-NZ 3.46Å; F90-L129 HydrophobicContact CD2-CD2 4.25Å; F90-L129 HydrophobicContact CD2-CG 3.98Å; F90-L129 HydrophobicContact CE2-CB 4.48Å; F90-L129 HydrophobicContact CE2-CD2 4.03Å; F90-L129 HydrophobicContact CE2-CG 3.74Å; F90-P296 HydrophobicContact CE1-CB 3.74Å; F90-P296 HydrophobicContact CE1-CG 3.97Å; F90-P296 HydrophobicContact CZ-CB 3.75Å; F90-P296 HydrophobicContact CZ-CG 4.46Å
91K94.8Very high95Very high116 Ų11651.4 Ų51.450%0.50426%0.264SS..Hα-helixtrans-75.9-45.8174.1-70.1167.5-172.9157.80111L87 D88 E89 K95L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 3.33Å; L87-K91 VanDerWaalsContact O-N 3.13Å; D88-K91 WeakPolarHBondContact O-CB 3.44Å; D88-K91 PolarHBondContact O-N 3.1Å; D88-K91 IonicContact OD1-NZ 2.85Å; D88-K91 PolarHBondContact OD1-NZ 2.82Å; E89-K91 VanDerWaalsContact C-N 3.31Å; E89-K91 PolarHBondContact O-N 3.3Å; K91-K95 PolarHBondContact O-NZ 3.31Å
92D94.7Very high94.7Very high132 Ų13253.1 Ų53.171%0.70627%0.272SS*.Hα-helixtrans-80.3-20.2-168.8-64.8-15.4000113.3D88 E89 D94D88-D92 WeakPolarHBondContact O-CB 3.42Å; D88-D92 VanDerWaalsContact O-CG 3.24Å; D88-D92 PolarHBondContact O-N 2.95Å; E89-D92 PolarHBondContact O-N 3.22Å; D92-D94 PolarHBondContact O-N 2.62Å
93V93.7Very high94.5Very high39 Ų3952 Ų5224%0.23627%0.267CS..SBendtrans-55.9126.6175.565.80000111.2L84 E89 F90 K95 L129L84-V93 HydrophobicContact CD1-CB 4.36Å; L84-V93 HydrophobicContact CD1-CG1 4.11Å; E89-V93 WeakPolarHBondContact O-CB 3.39Å; E89-V93 PolarHBondContact O-N 3.07Å; F90-V93 WeakPolarHBondContact O-CG1 3.39Å; V93-K95 HydrophobicContact CG1-CG 4.36Å; V93-K95 PolarHBondContact O-N 2.9Å; V93-K95 PolarHBondContact O-NZ 3.01Å; V93-L129 HydrophobicContact CG1-CD2 3.71Å
94D94.9Very high94.4Very high98 Ų9853.5 Ų53.552%0.52428%0.279SS..  trans-69.995.7173.1-174.2-17.4000109.6D92 Q96 C97 L98D92-D94 PolarHBondContact O-N 2.62Å; D94-Q96 PolarHBondContact O-N 3.31Å; D94-Q96 PolarHBondContact OD1-N 3.45Å; D94-C97 HydrophobicContact CB-CB 3.79Å; D94-C97 VanDerWaalsContact CG-CB 3.41Å; D94-C97 PolarHBondContact O-N 3.04Å; D94-C97 PolarHBondContact OD1-N 3.45Å; D94-C97 WeakPolarHBondContact OD2-CB 3.43Å; D94-L98 WeakPolarHBondContact O-CB 3.21Å; D94-L98 PolarHBondContact O-N 3.08Å
95K94.1Very high94.2Very high41 Ų4160.2 Ų60.218%0.17831%0.308CS..Hα-helixtrans-63.8-28.3-178.4-67.5135.7179.977.50112.6F90 K91 V93 L99 L129 W142 W287F90-K95 PolarHBondContact O-NZ 3.46Å; K91-K95 PolarHBondContact O-NZ 3.31Å; V93-K95 HydrophobicContact CG1-CG 4.36Å; V93-K95 PolarHBondContact O-N 2.9Å; V93-K95 PolarHBondContact O-NZ 3.01Å; K95-L99 VanDerWaalsContact O-CB 3.31Å; K95-L99 WeakPolarHBondContact O-CB 3.22Å; K95-L99 PolarHBondContact O-N 2.91Å; K95-L129 HydrophobicContact CG-CD2 4.45Å; K95-W142 HydrophobicContact CD-CE3 4.07Å; K95-W142 HydrophobicContact CD-CH2 4.44Å; K95-W142 HydrophobicContact CD-CZ3 3.53Å; K95-W142 HydrophobicContact CG-CE3 4.39Å; K95-W142 HydrophobicContact CG-CZ3 4.2Å; K95-W287 HydrophobicContact CB-CZ2 3.7Å; K95-W287 HydrophobicContact CG-CZ2 4.14Å; K95-W287 WeakPolarHBondContact O-CZ2 3.28Å; K95-W287 PolarHBondContact O-NE1 3.34Å
96Q94.5Very high94.1Very high68 Ų6858 Ų5832%0.31830%0.296SS..Hα-helixtrans-80.2-40.3179.2-172.861.35200110.4D94 L99 N100 F284D94-Q96 PolarHBondContact O-N 3.31Å; D94-Q96 PolarHBondContact OD1-N 3.45Å; Q96-L99 PolarHBondContact O-N 2.76Å; Q96-N100 PolarHBondContact NE2-OD1 3.45Å; Q96-N100 WeakPolarHBondContact O-CB 3.33Å; Q96-N100 PolarHBondContact O-N 3.48Å; Q96-N100 PolarHBondContact O-ND2 3.12Å; Q96-F284 PolarHBondContact NE2-O 3.05Å
97C94.7Very high94Very high50 Ų5056.4 Ų56.434%0.33829%0.285SS..Hα-helixtrans-59.2-51.6172.6-169.80000110.9D94 L99 N100 E101D94-C97 HydrophobicContact CB-CB 3.79Å; D94-C97 VanDerWaalsContact CG-CB 3.41Å; D94-C97 PolarHBondContact O-N 3.04Å; D94-C97 PolarHBondContact OD1-N 3.45Å; D94-C97 WeakPolarHBondContact OD2-CB 3.43Å; C97-L99 VanDerWaalsContact C-N 3.27Å; C97-L99 PolarHBondContact O-N 2.91Å; C97-N100 PolarHBondContact O-N 2.79Å; C97-N100 VanDerWaalsContact O-N 3.07Å; C97-E101 WeakPolarHBondContact O-CG 3.24Å; C97-E101 PolarHBondContact O-N 2.93Å
98L94Very high93.9Very high18 Ų1858 Ų589%0.09430%0.296CS..Hα-helixtrans-54-44.3177.8-178.568.9000112.1F82 D94 H102 I127 L129F82-L98 HydrophobicContact CD2-CD1 4.41Å; F82-L98 HydrophobicContact CD2-CD2 4.47Å; F82-L98 HydrophobicContact CE1-CD1 4.32Å; F82-L98 HydrophobicContact CE2-CD1 4.15Å; F82-L98 HydrophobicContact CZ-CD1 4.13Å; D94-L98 WeakPolarHBondContact O-CB 3.21Å; D94-L98 PolarHBondContact O-N 3.08Å; L98-H102 WeakPolarHBondContact O-CB 3.27Å; L98-H102 PolarHBondContact O-N 3.41Å; L98-H102 PolarHBondContact O-ND1 3.07Å; L98-I127 HydrophobicContact CD2-CG2 4.39Å; L98-L129 HydrophobicContact CD2-CD1 4.26Å
99L95.1Very high93.8Very high0 Ų058 Ų580%029%0.293CS..Hα-helixtrans-65.6-42.5179-176.264.4000112.2K95 Q96 C97 G103 I127 A144 P146 F284K95-L99 VanDerWaalsContact O-CB 3.31Å; K95-L99 WeakPolarHBondContact O-CB 3.22Å; K95-L99 PolarHBondContact O-N 2.91Å; Q96-L99 PolarHBondContact O-N 2.76Å; C97-L99 VanDerWaalsContact C-N 3.27Å; C97-L99 PolarHBondContact O-N 2.91Å; L99-G103 PolarHBondContact O-N 2.92Å; L99-I127 HydrophobicContact CD1-CD1 4.11Å; L99-A144 HydrophobicContact CD1-CB 3.81Å; L99-P146 HydrophobicContact CD1-CB 3.62Å; L99-P146 HydrophobicContact CD1-CG 3.69Å; L99-F284 HydrophobicContact CD2-CB 4.33Å; L99-F284 WeakPolarHBondContact CD2-O 3.39Å; L99-F284 HydrophobicContact CG-CB 3.93Å
100N94.9Very high93.8Very high40 Ų4054 Ų5421%0.21427%0.274CS..Hα-helixtrans-68.5-45.3-179.4-72-17.7000111.9Q96 C97 G103 A104 F284Q96-N100 PolarHBondContact NE2-OD1 3.45Å; Q96-N100 WeakPolarHBondContact O-CB 3.33Å; Q96-N100 PolarHBondContact O-N 3.48Å; Q96-N100 PolarHBondContact O-ND2 3.12Å; C97-N100 PolarHBondContact O-N 2.79Å; C97-N100 VanDerWaalsContact O-N 3.07Å; N100-G103 PolarHBondContact O-N 3.18Å; N100-A104 WeakPolarHBondContact O-CB 3.32Å; N100-A104 PolarHBondContact O-N 2.91Å; N100-F284 PolarHBondContact OD1-N 3.49Å
101E92.8Very high93.6Very high120 Ų12054.7 Ų54.756%0.56128%0.278SS*.Hα-helixtrans-61.7-48.6179.6-71.4-179.2165.400111.6C97 A104 K105C97-E101 WeakPolarHBondContact O-CG 3.24Å; C97-E101 PolarHBondContact O-N 2.93Å; E101-A104 PolarHBondContact O-N 3.38Å; E101-K105 PolarHBondContact O-N 3.2Å; E101-K105 VanDerWaalsContact O-N 3.13Å
102H91.7Very high93.5Very high37 Ų3752.4 Ų52.417%0.17128%0.277CS..Hα-helixtrans-66.3-42.3178-7879.1000112.2F82 L98 K105 F106 I127F82-H102 AromaticContact CE2-CE1 3.67Å; F82-H102 AromaticContact CE2-NE2 3.53Å; F82-H102 AromaticContact CZ-CE1 3.23Å; F82-H102 WeakPolarHBondContact CZ-CE1 3.46Å; F82-H102 AromaticContact CZ-NE2 3.11Å; F82-H102 WeakPolarHBondContact CZ-NE2 3.26Å; L98-H102 WeakPolarHBondContact O-CB 3.27Å; L98-H102 PolarHBondContact O-N 3.41Å; L98-H102 PolarHBondContact O-ND1 3.07Å; H102-K105 PolarHBondContact O-N 2.77Å; H102-F106 WeakPolarHBondContact O-CD1 3.33Å; H102-F106 PolarHBondContact O-N 3Å; H102-I127 HydrophobicContact CB-CD1 3.53Å; H102-I127 HydrophobicContact CB-CG1 4.31Å
103G93Very high93.3Very high0 Ų054.1 Ų54.10%028%0.281CS..Hα-helixtrans-56.7-50.9174.900000112.1L99 N100 K105 F106 M107 F284L99-G103 PolarHBondContact O-N 2.92Å; N100-G103 PolarHBondContact O-N 3.18Å; G103-K105 VanDerWaalsContact C-N 3.3Å; G103-K105 PolarHBondContact O-N 3.22Å; G103-F106 WeakPolarHBondContact O-CD1 3.4Å; G103-M107 VanDerWaalsContact O-CB 3.28Å; G103-M107 WeakPolarHBondContact O-CB 3.39Å; G103-M107 PolarHBondContact O-N 3.18Å; G103-M107 VanDerWaalsContact O-N 3.08Å; G103-F284 VanDerWaalsContact C-CE1 3.44Å; G103-F284 VanDerWaalsContact C-CE2 3.44Å; G103-F284 WeakPolarHBondContact O-CE1 3.28Å; G103-F284 WeakPolarHBondContact O-CZ 3.26Å
104A92.9Very high93.3Very high30 Ų3055 Ų5525%0.24828%0.284CS..Hα-helixtrans-62.4-39.5-17700000111.9N100 E101 T108 F281 F284N100-A104 WeakPolarHBondContact O-CB 3.32Å; N100-A104 PolarHBondContact O-N 2.91Å; E101-A104 PolarHBondContact O-N 3.38Å; A104-T108 VanDerWaalsContact O-CB 3.32Å; A104-T108 WeakPolarHBondContact O-CB 3.45Å; A104-T108 PolarHBondContact O-N 3.04Å; A104-T108 PolarHBondContact O-OG1 2.95Å; A104-F281 HydrophobicContact CB-CD2 4.19Å; A104-F281 HydrophobicContact CB-CE2 3.8Å; A104-F284 HydrophobicContact CB-CE2 4.26Å; A104-F284 VanDerWaalsContact N-CE2 3.34Å
105K92Very high93.3Very high154 Ų15452.2 Ų52.267%0.6727%0.268SS*.Hα-helixtrans-57.9-57.3179.2-174.8179.8177.8-177.70112.4E101 H102 G103 E109E101-K105 PolarHBondContact O-N 3.2Å; E101-K105 VanDerWaalsContact O-N 3.13Å; H102-K105 PolarHBondContact O-N 2.77Å; G103-K105 VanDerWaalsContact C-N 3.3Å; G103-K105 PolarHBondContact O-N 3.22Å; K105-E109 PolarHBondContact O-N 3.16Å
106F92.1Very high93.3Very high11 Ų1150.2 Ų50.25%0.04826%0.259CS..Hα-helixtrans-71.5-33.7-177.281.9-103000112.1H102 G103 E109 A110 L122 R125 P146 F284H102-F106 WeakPolarHBondContact O-CD1 3.33Å; H102-F106 PolarHBondContact O-N 3Å; G103-F106 WeakPolarHBondContact O-CD1 3.4Å; F106-E109 PolarHBondContact O-N 2.76Å; F106-A110 VanDerWaalsContact O-CB 3.29Å; F106-A110 WeakPolarHBondContact O-CB 3.14Å; F106-A110 PolarHBondContact O-N 3.42Å; F106-L122 WeakPolarHBondContact CD2-O 3.49Å; F106-R125 HydrophobicContact CB-CG 4Å; F106-R125 HydrophobicContact CD1-CB 4.03Å; F106-R125 HydrophobicContact CD1-CG 3.87Å; F106-R125 HydrophobicContact CD2-CG 4.22Å; F106-R125 HydrophobicContact CE1-CB 4.15Å; F106-R125 HydrophobicContact CE1-CG 4.38Å; F106-R125 HydrophobicContact CG-CB 4.42Å; F106-R125 HydrophobicContact CG-CG 3.78Å; F106-P146 HydrophobicContact CE1-CB 3.95Å; F106-P146 HydrophobicContact CE1-CG 4.33Å; F106-P146 HydrophobicContact CZ-CB 4.5Å; F106-F284 HydrophobicContact CE1-CE1 4.34Å; F106-F284 HydrophobicContact CZ-CE1 4.16Å
107M93.6Very high93.3Very high0 Ų048.3 Ų48.30%025%0.251CS..Hα-helixtrans-70.7-36.7-177.8-170.358.577.900111.2G103 A110 I111 L123 V148 N232 Y235 F281 F284G103-M107 VanDerWaalsContact O-CB 3.28Å; G103-M107 WeakPolarHBondContact O-CB 3.39Å; G103-M107 PolarHBondContact O-N 3.18Å; G103-M107 VanDerWaalsContact O-N 3.08Å; M107-A110 PolarHBondContact O-N 2.81Å; M107-I111 HydrophobicContact CG-CD1 3.73Å; M107-I111 HydrophobicContact CG-CG1 4.42Å; M107-I111 WeakPolarHBondContact O-CB 3.27Å; M107-I111 WeakPolarHBondContact O-CG1 3.33Å; M107-I111 PolarHBondContact O-N 2.92Å; M107-I111 HydrophobicContact SD-CD1 3.72Å; M107-I111 HydrophobicContact SD-CG1 4.04Å; M107-L123 HydrophobicContact CE-CD2 4.48Å; M107-L123 HydrophobicContact SD-CD2 4.28Å; M107-V148 HydrophobicContact CE-CG2 3.48Å; M107-V148 VanDerWaalsContact CE-CG2 3.48Å; M107-V148 HydrophobicContact CG-CG2 3.9Å; M107-V148 HydrophobicContact SD-CG2 4.36Å; M107-N232 HydrophobicContact CE-CB 3.87Å; M107-Y235 HydrophobicContact CE-CD1 4.07Å; M107-Y235 HydrophobicContact CG-CD1 4.34Å; M107-Y235 HydrophobicContact CG-CE1 4.14Å; M107-Y235 HydrophobicContact SD-CD1 3.92Å; M107-Y235 HydrophobicContact SD-CE1 4.28Å; M107-F281 HydrophobicContact CB-CE1 4.27Å; M107-F281 HydrophobicContact CB-CE2 4.21Å; M107-F281 HydrophobicContact CB-CZ 4.01Å; M107-F281 HydrophobicContact CG-CD1 4.01Å; M107-F281 HydrophobicContact CG-CE1 3.79Å; M107-F281 HydrophobicContact CG-CG 4.46Å; M107-F281 HydrophobicContact CG-CZ 4.06Å; M107-F284 HydrophobicContact CB-CE1 4.3Å; M107-F284 HydrophobicContact CB-CZ 3.92Å; M107-F284 HydrophobicContact CG-CZ 4.44Å
108T93.3Very high93.2Very high78 Ų7854.5 Ų54.548%0.47927%0.267SS..Hα-helixtrans-60.4-46.7171.7-550000110.8A104 S112 F281A104-T108 VanDerWaalsContact O-CB 3.32Å; A104-T108 WeakPolarHBondContact O-CB 3.45Å; A104-T108 PolarHBondContact O-N 3.04Å; A104-T108 PolarHBondContact O-OG1 2.95Å; T108-S112 VanDerWaalsContact O-CB 3.26Å; T108-S112 WeakPolarHBondContact O-CB 3.15Å; T108-S112 PolarHBondContact O-N 2.96Å; T108-F281 WeakPolarHBondContact OG1-CZ 3.5Å
109E93.2Very high93.1Very high95 Ų9558.9 Ų58.944%0.44429%0.286SS..Hα-helixtrans-61.6-45.3177.5-173.5-175.7173.500111.7K105 F106 L122K105-E109 PolarHBondContact O-N 3.16Å; F106-E109 PolarHBondContact O-N 2.76Å; E109-L122 HydrophobicContact CG-CD1 4.22Å; E109-L122 HydrophobicContact CG-CD2 4.39Å; E109-L122 WeakPolarHBondContact OE1-CD2 3.36Å
110A93.6Very high93Very high0 Ų059.5 Ų59.50%029%0.289CS..Hα-helixtrans-63.6-43.2-17900000112.5F106 M107 E115 F116 L122 L123F106-A110 VanDerWaalsContact O-CB 3.29Å; F106-A110 WeakPolarHBondContact O-CB 3.14Å; F106-A110 PolarHBondContact O-N 3.42Å; M107-A110 PolarHBondContact O-N 2.81Å; A110-E115 PolarHBondContact O-N 3.27Å; A110-F116 HydrophobicContact CB-CB 4.09Å; A110-F116 WeakPolarHBondContact O-CB 3.43Å; A110-F116 WeakPolarHBondContact O-CD1 3.43Å; A110-F116 PolarHBondContact O-N 3.12Å; A110-L122 HydrophobicContact CB-CB 4Å; A110-L123 HydrophobicContact CB-CD2 3.73Å
111I92.8Very high92.8Very high21 Ų2160 Ų6011%0.10829%0.292CS..Hα-helixtrans-79.3-30.7-176.7-71.9176000111.9M107 Q113 N114 Y235 A236 S239 T240 F281M107-I111 HydrophobicContact CG-CD1 3.73Å; M107-I111 HydrophobicContact CG-CG1 4.42Å; M107-I111 WeakPolarHBondContact O-CB 3.27Å; M107-I111 WeakPolarHBondContact O-CG1 3.33Å; M107-I111 PolarHBondContact O-N 2.92Å; M107-I111 HydrophobicContact SD-CD1 3.72Å; M107-I111 HydrophobicContact SD-CG1 4.04Å; I111-Q113 PolarHBondContact O-N 3.27Å; I111-Q113 VanDerWaalsContact O-N 3.15Å; I111-N114 PolarHBondContact O-N 3.45Å; I111-Y235 HydrophobicContact CD1-CD1 4.1Å; I111-Y235 HydrophobicContact CD1-CE1 3.65Å; I111-A236 HydrophobicContact CG1-CB 4.44Å; I111-S239 WeakPolarHBondContact CD1-OG 3.43Å; I111-T240 HydrophobicContact CB-CG2 4.33Å; I111-T240 HydrophobicContact CG1-CG2 4.42Å; I111-T240 HydrophobicContact CG2-CG2 3.57Å; I111-F281 HydrophobicContact CD1-CE1 4.11Å
112S92.5Very high92.7Very high68 Ų6854.7 Ų54.748%0.47627%0.268SS..G310 helixtrans-56.7120.3178.8-172.70000110.6T108 N114 E115T108-S112 VanDerWaalsContact O-CB 3.26Å; T108-S112 WeakPolarHBondContact O-CB 3.15Å; T108-S112 PolarHBondContact O-N 2.96Å; S112-N114 PolarHBondContact O-N 2.79Å; S112-E115 WeakPolarHBondContact O-CB 3.48Å; S112-E115 PolarHBondContact O-N 3.12Å; S112-E115 VanDerWaalsContact O-N 3.11Å
113Q90.6Very high92.8Very high168 Ų16853 Ų5379%0.78526%0.26SS*.G310 helixtrans54.123.3-177.3-53.6-178.6-0.900114.5I111 E115I111-Q113 PolarHBondContact O-N 3.27Å; I111-Q113 VanDerWaalsContact O-N 3.15Å; Q113-E115 VanDerWaalsContact C-N 3.25Å; Q113-E115 PolarHBondContact O-N 3.26Å
114N92.9Very high92.8Very high58 Ų5853.2 Ų53.231%0.3126%0.261SS..G310 helixtrans56.834.4-175.6-49.9-26.8000113.4I111 S112 F116 L117 T240I111-N114 PolarHBondContact O-N 3.45Å; S112-N114 PolarHBondContact O-N 2.79Å; N114-F116 HydrophobicContact CB-CD1 4.42Å; N114-F116 HydrophobicContact CB-CE1 4.05Å; N114-F116 PolarHBondContact O-N 3.29Å; N114-F116 VanDerWaalsContact O-N 3.1Å; N114-L117 HydrophobicContact CB-CD1 3.81Å; N114-L117 HydrophobicContact CB-CG 4.21Å; N114-L117 WeakPolarHBondContact O-CB 3.45Å; N114-L117 PolarHBondContact O-N 3.39Å; N114-T240 WeakPolarHBondContact OD1-CB 3.49Å; N114-T240 WeakPolarHBondContact OD1-CG2 3.32Å
115E94.7Very high92.8Very high39 Ų3955.3 Ų55.318%0.18226%0.262CS..Hα-helixtrans-58.4-26.6-176.5-172.267.6178.700112.5A110 S112 Q113 L117 R118 K119 L122A110-E115 PolarHBondContact O-N 3.27Å; S112-E115 WeakPolarHBondContact O-CB 3.48Å; S112-E115 PolarHBondContact O-N 3.12Å; S112-E115 VanDerWaalsContact O-N 3.11Å; Q113-E115 VanDerWaalsContact C-N 3.25Å; Q113-E115 PolarHBondContact O-N 3.26Å; E115-L117 PolarHBondContact O-N 3.06Å; E115-L117 VanDerWaalsContact O-N 3.12Å; E115-R118 PolarHBondContact O-N 2.87Å; E115-R118 IonicContact OE2-NH1 3.84Å; E115-K119 PolarHBondContact O-N 3.31Å; E115-K119 WeakPolarHBondContact OE1-CE 3.46Å; E115-K119 IonicContact OE1-NZ 2.91Å; E115-K119 PolarHBondContact OE1-NZ 2.92Å; E115-L122 HydrophobicContact CB-CD1 4.3Å; E115-L122 HydrophobicContact CG-CD1 3.81Å
116F94.5Very high93Very high0 Ų048.1 Ų48.10%023%0.231CC..Hα-helixtrans-55-28.4173.379-87.8000113.8A110 N114 R118 K119 P120 L123 L203 L233 A236 L237 T240 I241A110-F116 HydrophobicContact CB-CB 4.09Å; A110-F116 WeakPolarHBondContact O-CB 3.43Å; A110-F116 WeakPolarHBondContact O-CD1 3.43Å; A110-F116 PolarHBondContact O-N 3.12Å; N114-F116 HydrophobicContact CB-CD1 4.42Å; N114-F116 HydrophobicContact CB-CE1 4.05Å; N114-F116 PolarHBondContact O-N 3.29Å; N114-F116 VanDerWaalsContact O-N 3.1Å; F116-R118 VanDerWaalsContact C-N 3.34Å; F116-K119 CarbonylContact O-C 3.58Å; F116-P120 VanDerWaalsContact O-CA 3.24Å; F116-P120 WeakPolarHBondContact O-CA 3.47Å; F116-P120 VanDerWaalsContact O-N 3.15Å; F116-L123 HydrophobicContact CB-CD1 3.99Å; F116-L123 HydrophobicContact CB-CD2 4.11Å; F116-L123 HydrophobicContact CB-CG 4.01Å; F116-L123 HydrophobicContact CD2-CD1 4.03Å; F116-L123 HydrophobicContact CG-CD1 4.36Å; F116-L203 HydrophobicContact CD2-CD2 4Å; F116-L203 HydrophobicContact CE2-CD2 4.34Å; F116-L233 HydrophobicContact CD2-CD1 4.03Å; F116-L233 HydrophobicContact CE2-CD1 3.96Å; F116-A236 HydrophobicContact CD1-CB 3.97Å; F116-A236 HydrophobicContact CD2-CB 4.04Å; F116-A236 HydrophobicContact CE1-CB 3.96Å; F116-A236 HydrophobicContact CE2-CB 4.02Å; F116-A236 HydrophobicContact CG-CB 4.01Å; F116-A236 HydrophobicContact CZ-CB 3.98Å; F116-L237 HydrophobicContact CE2-CD2 3.91Å; F116-L237 HydrophobicContact CE2-CG 4.3Å; F116-L237 HydrophobicContact CZ-CD2 3.96Å; F116-L237 HydrophobicContact CZ-CG 4.49Å; F116-T240 HydrophobicContact CE1-CG2 4.46Å; F116-I241 HydrophobicContact CZ-CD1 4.07Å
117L94.5Very high93.2Very high28 Ų2847.7 Ų47.715%0.14723%0.229CC..Hα-helixtrans-68-35.5175.8-65.5177.2000111.7N114 E115 L203 S204 F206 I241N114-L117 HydrophobicContact CB-CD1 3.81Å; N114-L117 HydrophobicContact CB-CG 4.21Å; N114-L117 WeakPolarHBondContact O-CB 3.45Å; N114-L117 PolarHBondContact O-N 3.39Å; E115-L117 PolarHBondContact O-N 3.06Å; E115-L117 VanDerWaalsContact O-N 3.12Å; L117-L203 HydrophobicContact CD2-CD2 4.36Å; L117-L203 HydrophobicContact CD2-CG 3.98Å; L117-L203 CarbonylContact O-C 3.55Å; L117-S204 WeakPolarHBondContact O-CA 3.32Å; L117-S204 PolarHBondContact O-N 2.95Å; L117-F206 HydrophobicContact CD2-CB 4.3Å; L117-I241 HydrophobicContact CD1-CD1 3.86Å; L117-I241 HydrophobicContact CD2-CD1 3.95Å; L117-I241 HydrophobicContact CG-CD1 4.34Å
118R93.3Very high93.4Very high180 Ų18047.7 Ų47.768%0.67923%0.229SC*.Hα-helixtrans-85.1-36.4177.5-66.4179.4179.8155.5-1.9112.1E115 F116E115-R118 PolarHBondContact O-N 2.87Å; E115-R118 IonicContact OE2-NH1 3.84Å; F116-R118 VanDerWaalsContact C-N 3.34Å
119K92.1Very high93.6Very high110 Ų11044 Ų4448%0.47821%0.207SC..  trans-128.679.8-178.9-66.6177.4-173.7149.70110.7E115 F116 D121 L122E115-K119 PolarHBondContact O-N 3.31Å; E115-K119 WeakPolarHBondContact OE1-CE 3.46Å; E115-K119 IonicContact OE1-NZ 2.91Å; E115-K119 PolarHBondContact OE1-NZ 2.92Å; F116-K119 CarbonylContact O-C 3.58Å; K119-D121 PolarHBondContact O-N 3.16Å; K119-D121 VanDerWaalsContact O-N 3.14Å; K119-L122 HydrophobicContact CB-CD1 4.03Å; K119-L122 HydrophobicContact CB-CG 4.04Å; K119-L122 WeakPolarHBondContact O-CB 3.47Å; K119-L122 WeakPolarHBondContact O-CG 3.49Å; K119-L122 PolarHBondContact O-N 3.26Å; K119-L122 VanDerWaalsContact O-N 3.16Å
120P92.5Very high93.8Very high12 Ų1239.5 Ų39.58%0.07819%0.186CC..G310 helixtrans-62-24.1-178.5-21.433.3000113.4F116 L122 L123 F189 L203F116-P120 VanDerWaalsContact O-CA 3.24Å; F116-P120 WeakPolarHBondContact O-CA 3.47Å; F116-P120 VanDerWaalsContact O-N 3.15Å; P120-L122 PolarHBondContact O-N 3.31Å; P120-L122 VanDerWaalsContact O-N 3.14Å; P120-L123 WeakPolarHBondContact O-CB 3.46Å; P120-L123 PolarHBondContact O-N 3.24Å; P120-F189 HydrophobicContact CB-CB 4.17Å; P120-F189 HydrophobicContact CB-CD2 3.72Å; P120-F189 HydrophobicContact CB-CG 4.44Å; P120-L203 HydrophobicContact CB-CD2 4.1Å; P120-L203 HydrophobicContact CG-CB 3.92Å; P120-L203 HydrophobicContact CG-CD2 3.97Å
121D89.7Confident94Very high50 Ų5041.3 Ų41.327%0.26719%0.193SC..G310 helixtrans-60.3-21.8177.6-58.7-30.6000113.4K119 L123 L124K119-D121 PolarHBondContact O-N 3.16Å; K119-D121 VanDerWaalsContact O-N 3.14Å; D121-L123 PolarHBondContact O-N 3.2Å; D121-L124 PolarHBondContact O-N 2.93Å
122L92.3Very high94.1Very high10 Ų1041 Ų415%0.05219%0.192CC..G310 helixtrans-59.9-29.7174.6-69176.8000112.3F106 E109 A110 E115 K119 P120 L124F106-L122 WeakPolarHBondContact CD2-O 3.49Å; E109-L122 HydrophobicContact CG-CD1 4.22Å; E109-L122 HydrophobicContact CG-CD2 4.39Å; E109-L122 WeakPolarHBondContact OE1-CD2 3.36Å; A110-L122 HydrophobicContact CB-CB 4Å; E115-L122 HydrophobicContact CB-CD1 4.3Å; E115-L122 HydrophobicContact CG-CD1 3.81Å; K119-L122 HydrophobicContact CB-CD1 4.03Å; K119-L122 HydrophobicContact CB-CG 4.04Å; K119-L122 WeakPolarHBondContact O-CB 3.47Å; K119-L122 WeakPolarHBondContact O-CG 3.49Å; K119-L122 PolarHBondContact O-N 3.26Å; K119-L122 VanDerWaalsContact O-N 3.16Å; P120-L122 PolarHBondContact O-N 3.31Å; P120-L122 VanDerWaalsContact O-N 3.14Å; L122-L124 PolarHBondContact O-N 3.08Å
123L93.5Very high94.2Very high1 Ų138.9 Ų38.91%0.00518%0.176CC..G310 helixtrans-77.9-10.6179-59.4173.4000113M107 A110 F116 P120 D121 F189 N232 L233 A236M107-L123 HydrophobicContact CE-CD2 4.48Å; M107-L123 HydrophobicContact SD-CD2 4.28Å; A110-L123 HydrophobicContact CB-CD2 3.73Å; F116-L123 HydrophobicContact CB-CD1 3.99Å; F116-L123 HydrophobicContact CB-CD2 4.11Å; F116-L123 HydrophobicContact CB-CG 4.01Å; F116-L123 HydrophobicContact CD2-CD1 4.03Å; F116-L123 HydrophobicContact CG-CD1 4.36Å; P120-L123 WeakPolarHBondContact O-CB 3.46Å; P120-L123 PolarHBondContact O-N 3.24Å; D121-L123 PolarHBondContact O-N 3.2Å; L123-F189 HydrophobicContact CB-CE2 4.46Å; L123-F189 HydrophobicContact CD1-CE2 4.5Å; L123-N232 HydrophobicContact CB-CB 4.09Å; L123-N232 HydrophobicContact CD2-CB 4.26Å; L123-N232 PolarHBondContact O-ND2 3.36Å; L123-L233 HydrophobicContact CD1-CB 4.05Å; L123-L233 HydrophobicContact CD1-CD1 3.89Å; L123-A236 HydrophobicContact CD2-CB 4.09Å
124L92.3Very high94.2Very high4 Ų432.7 Ų32.72%0.02115%0.148CC..  trans-10986.4-171.3-53.1-175.7000110.2I77 D121 L122 P188 F189 L229I77-L124 HydrophobicContact CG1-CB 4.44Å; I77-L124 HydrophobicContact CG2-CB 4.11Å; I77-L124 VanDerWaalsContact CG2-O 3.25Å; I77-L124 WeakPolarHBondContact CG2-O 3.44Å; D121-L124 PolarHBondContact O-N 2.93Å; L122-L124 PolarHBondContact O-N 3.08Å; L124-P188 HydrophobicContact CD1-CG 3.32Å; L124-F189 HydrophobicContact CD1-CE2 4.14Å; L124-F189 HydrophobicContact CD2-CE2 3.43Å; L124-F189 VanDerWaalsContact CD2-CE2 3.43Å; L124-F189 HydrophobicContact CD2-CZ 3.67Å; L124-F189 HydrophobicContact CG-CE2 3.93Å; L124-L229 HydrophobicContact CD2-CB 4.2Å; L124-L229 HydrophobicContact CD2-CD2 3.56Å; L124-L229 HydrophobicContact CD2-CG 4.35Å
125R94Very high94.1Very high74 Ų7439.2 Ų39.228%0.27917%0.173SC..EExtended strand (participates in β ladder)trans-125.8149.7-179.5-60.3-62.4-175.9167.82.1112.2Y78 F106 P146Y78-R125 WeakPolarHBondContact O-CA 3.39Å; Y78-R125 WeakPolarHBondContact O-CD 3.45Å; F106-R125 HydrophobicContact CB-CG 4Å; F106-R125 HydrophobicContact CD1-CB 4.03Å; F106-R125 HydrophobicContact CD1-CG 3.87Å; F106-R125 HydrophobicContact CD2-CG 4.22Å; F106-R125 HydrophobicContact CE1-CB 4.15Å; F106-R125 HydrophobicContact CE1-CG 4.38Å; F106-R125 HydrophobicContact CG-CB 4.42Å; F106-R125 HydrophobicContact CG-CG 3.78Å; R125-P146 WeakPolarHBondContact O-CD 3.45Å
126F95.4Very high93.9Very high3 Ų343.4 Ų43.41%0.01319%0.191CC..EExtended strand (participates in β ladder)trans-136159.8168.274.6-88.7000111.1I38 A40 L54 I77 Y78 G79 S80 L128 F143 A144 F145I38-F126 HydrophobicContact CD1-CE2 3.44Å; I38-F126 VanDerWaalsContact CD1-CE2 3.44Å; I38-F126 HydrophobicContact CD1-CZ 3.62Å; I38-F126 HydrophobicContact CG1-CE2 3.91Å; I38-F126 HydrophobicContact CG1-CZ 3.67Å; A40-F126 HydrophobicContact CB-CD1 4.23Å; A40-F126 HydrophobicContact CB-CE1 3.52Å; A40-F126 HydrophobicContact CB-CZ 3.77Å; L54-F126 HydrophobicContact CD2-CD1 4.34Å; L54-F126 HydrophobicContact CD2-CG 4.36Å; I77-F126 HydrophobicContact CB-CD1 4.32Å; I77-F126 HydrophobicContact CG2-CD1 3.76Å; I77-F126 HydrophobicContact CG2-CE1 4.47Å; Y78-F126 PolarHBondContact O-N 3.23Å; G79-F126 CarbonylContact C-O 3.35Å; G79-F126 VanDerWaalsContact CA-CE1 3.5Å; G79-F126 WeakPolarHBondContact CA-O 3.37Å; G79-F126 VanDerWaalsContact N-CE1 3.33Å; S80-F126 PolarHBondContact N-O 3.43Å; F126-L128 HydrophobicContact CE2-CB 4.31Å; F126-F143 AromaticContact CD2-CD1 3.91Å; F126-F143 HydrophobicContact CD2-CD1 3.91Å; F126-F143 AromaticContact CD2-CE1 3.48Å; F126-F143 HydrophobicContact CD2-CE1 3.48Å; F126-F143 VanDerWaalsContact CD2-CE1 3.48Å; F126-F143 HydrophobicContact CD2-CZ 4.5Å; F126-F143 HydrophobicContact CE2-CD1 4.46Å; F126-F143 AromaticContact CE2-CE1 3.59Å; F126-F143 HydrophobicContact CE2-CE1 3.59Å; F126-F143 HydrophobicContact CE2-CZ 4.26Å; F126-F143 HydrophobicContact CG-CE1 4.43Å; F126-A144 CarbonylContact C-O 3.45Å; F126-A144 VanDerWaalsContact CA-O 3.25Å; F126-A144 WeakPolarHBondContact CA-O 3.16Å; F126-A144 WeakPolarHBondContact CB-O 3.18Å; F126-F145 HydrophobicContact CB-CD1 3.76Å; F126-F145 HydrophobicContact CB-CE1 3.94Å
127I96.6Very high93.8Very high3 Ų346 Ų462%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-121.1134.7174.3-55.5171.9000107.2S80 F82 L98 L99 H102 F143 A144 P146S80-I127 WeakPolarHBondContact O-CA 3.21Å; F82-I127 HydrophobicContact CD2-CG2 3.8Å; F82-I127 HydrophobicContact CE2-CG2 4.05Å; L98-I127 HydrophobicContact CD2-CG2 4.39Å; L99-I127 HydrophobicContact CD1-CD1 4.11Å; H102-I127 HydrophobicContact CB-CD1 3.53Å; H102-I127 HydrophobicContact CB-CG1 4.31Å; I127-F143 CarbonylContact O-C 3.52Å; I127-F143 WeakPolarHBondContact O-CA 3.44Å; I127-A144 HydrophobicContact CB-CB 4.22Å; I127-A144 PolarHBondContact N-O 3.36Å; I127-A144 PolarHBondContact O-N 3.1Å; I127-P146 HydrophobicContact CD1-CG 3.86Å; I127-P146 HydrophobicContact CG1-CG 4.04Å
128L97.2Very high93.8Very high0 Ų047.8 Ų47.80%021%0.208CC..EExtended strand (participates in β ladder)trans-118.5109.1170.3170.250.7000108.4F17 I38 I56 S80 L81 F82 F126 T130 F141 F143F17-L128 HydrophobicContact CE1-CD2 3.83Å; F17-L128 HydrophobicContact CZ-CD2 3.53Å; I38-L128 HydrophobicContact CD1-CB 4.07Å; I38-L128 HydrophobicContact CD1-CD2 3.95Å; I56-L128 HydrophobicContact CD1-CD2 4.17Å; S80-L128 PolarHBondContact O-N 3.16Å; L81-L128 CarbonylContact C-O 3.53Å; L81-L128 WeakPolarHBondContact CA-O 3.49Å; L81-L128 HydrophobicContact CD1-CB 4.26Å; L81-L128 HydrophobicContact CD1-CD2 3.81Å; L81-L128 HydrophobicContact CD1-CG 3.7Å; F82-L128 PolarHBondContact N-O 2.79Å; F126-L128 HydrophobicContact CE2-CB 4.31Å; L128-T130 HydrophobicContact CD1-CG2 3.54Å; L128-T130 HydrophobicContact CD2-CG2 4.13Å; L128-T130 HydrophobicContact CG-CG2 3.65Å; L128-F141 HydrophobicContact CD1-CB 4Å; L128-F143 HydrophobicContact CB-CE1 4.22Å; L128-F143 HydrophobicContact CB-CE2 4.23Å; L128-F143 HydrophobicContact CB-CZ 3.93Å; L128-F143 HydrophobicContact CD1-CD2 3.65Å; L128-F143 HydrophobicContact CD1-CE2 3.27Å; L128-F143 HydrophobicContact CD1-CG 4.46Å; L128-F143 HydrophobicContact CD1-CZ 3.85Å; L128-F143 HydrophobicContact CD2-CE2 3.84Å; L128-F143 HydrophobicContact CD2-CZ 3.68Å; L128-F143 HydrophobicContact CG-CE2 3.93Å; L128-F143 HydrophobicContact CG-CZ 3.99Å
129L97.7Very high94Very high1 Ų139.2 Ų39.21%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-94.2128.7173.3-179.367.5000109.2F82 L84 F90 V93 K95 L98 F141 W142 W287F82-L129 HydrophobicContact CB-CD1 3.69Å; F82-L129 CarbonylContact O-C 3.6Å; L84-L129 HydrophobicContact CD1-CD1 3.79Å; L84-L129 HydrophobicContact CG-CD1 4.04Å; F90-L129 HydrophobicContact CD2-CD2 4.25Å; F90-L129 HydrophobicContact CD2-CG 3.98Å; F90-L129 HydrophobicContact CE2-CB 4.48Å; F90-L129 HydrophobicContact CE2-CD2 4.03Å; F90-L129 HydrophobicContact CE2-CG 3.74Å; V93-L129 HydrophobicContact CG1-CD2 3.71Å; K95-L129 HydrophobicContact CG-CD2 4.45Å; L98-L129 HydrophobicContact CD2-CD1 4.26Å; L129-F141 CarbonylContact O-C 3.56Å; L129-F141 WeakPolarHBondContact O-CA 3.27Å; L129-W142 PolarHBondContact N-O 2.98Å; L129-W142 PolarHBondContact O-N 3.12Å; L129-W287 HydrophobicContact CB-CH2 4.19Å; L129-W287 HydrophobicContact CB-CZ3 4.49Å; L129-W287 HydrophobicContact CD2-CH2 4.28Å
130T97.6Very high94.2Very high0 Ų036.3 Ų36.30%016%0.162CC..EExtended strand (participates in β ladder)trans-137152.7-17764.50000113.5W18 L21 L81 F82 S83 L84 L128 Y140 F141W18-T130 HydrophobicContact CZ3-CG2 4.43Å; L21-T130 HydrophobicContact CD2-CG2 4.24Å; L81-T130 HydrophobicContact CD1-CG2 3.79Å; F82-T130 PolarHBondContact O-N 3.47Å; F82-T130 PolarHBondContact O-OG1 2.6Å; S83-T130 CarbonylContact C-O 3.57Å; S83-T130 WeakPolarHBondContact CA-O 3.35Å; S83-T130 WeakPolarHBondContact CA-OG1 3.47Å; S83-T130 WeakPolarHBondContact CB-OG1 3.5Å; L84-T130 PolarHBondContact N-O 2.94Å; L128-T130 HydrophobicContact CD1-CG2 3.54Å; L128-T130 HydrophobicContact CD2-CG2 4.13Å; L128-T130 HydrophobicContact CG-CG2 3.65Å; T130-Y140 CarbonylContact C-O 3.57Å; T130-Y140 WeakPolarHBondContact CA-O 3.25Å; T130-F141 HydrophobicContact CG2-CB 3.91Å
131Y97Very high94.4Very high37 Ų3736 Ų3615%0.14516%0.159CC..EExtended strand (participates in β ladder)trans-133.4130.4159.8161.1-109.1000108.7N85 S86 L87 D133 Y140N85-Y131 WeakPolarHBondContact O-CE2 3.06Å; S86-Y131 VanDerWaalsContact C-CE2 3.47Å; L87-Y131 HydrophobicContact CB-CD1 3.93Å; L87-Y131 HydrophobicContact CB-CE1 3.57Å; L87-Y131 HydrophobicContact CD1-CD1 3.8Å; L87-Y131 HydrophobicContact CD1-CE1 4.07Å; L87-Y131 HydrophobicContact CG-CD1 4.45Å; L87-Y131 HydrophobicContact CG-CE1 4.31Å; Y131-D133 HydrophobicContact CE1-CB 4.12Å; Y131-Y140 AromaticContact CD1-CD2 3.44Å; Y131-Y140 HydrophobicContact CD1-CD2 3.44Å; Y131-Y140 VanDerWaalsContact CD1-CD2 3.44Å; Y131-Y140 AromaticContact CD1-CE2 3.96Å; Y131-Y140 HydrophobicContact CD1-CE2 3.96Å; Y131-Y140 HydrophobicContact CD1-CG 4.01Å; Y131-Y140 AromaticContact CE1-CD2 3.92Å; Y131-Y140 HydrophobicContact CE1-CD2 3.92Å; Y131-Y140 AromaticContact CE1-CE2 3.97Å; Y131-Y140 HydrophobicContact CE1-CE2 3.97Å; Y131-Y140 PolarHBondContact N-O 2.94Å; Y131-Y140 PolarHBondContact O-N 2.7Å
132C95.4Very high94.8Very high14 Ų1434.7 Ų34.710%0.09515%0.15CC..EExtended strand (participates in β ladder)trans-112104.5-173.5-55.30000110.3L134 F139C132-L134 VanDerWaalsContact C-N 3.33Å; C132-L134 HydrophobicContact CB-CD2 3.8Å; C132-L134 HydrophobicContact CB-CG 4.11Å; C132-L134 PolarHBondContact O-N 3.03Å; C132-L134 VanDerWaalsContact O-N 3.09Å; C132-F139 HydrophobicContact CB-CD1 3.99Å; C132-F139 HydrophobicContact CB-CE1 4.11Å
133D94.7Very high95Very high24 Ų2434.2 Ų34.213%0.12815%0.148CC..EExtended strand (participates in β ladder)trans-81.184.6168.1-177.1-11.9000108.7Y131 K135 K136 Y137 K138Y131-D133 HydrophobicContact CE1-CB 4.12Å; D133-K135 PolarHBondContact O-N 3.25Å; D133-K135 PolarHBondContact OD1-N 3.23Å; D133-K136 CarbonylContact O-C 3.56Å; D133-K136 PolarHBondContact O-N 3.41Å; D133-K136 PolarHBondContact OD1-N 3.03Å; D133-K136 VanDerWaalsContact OD1-N 3.12Å; D133-K136 WeakPolarHBondContact OD2-CD 3.24Å; D133-Y137 WeakPolarHBondContact O-CA 3.4Å; D133-Y137 PolarHBondContact O-N 3.01Å; D133-K138 HydrophobicContact CB-CB 4.22Å; D133-K138 PolarHBondContact N-O 3.29Å; D133-K138 PolarHBondContact O-N 3.3Å
134L91.5Very high95.1Very high39 Ų3934.1 Ų34.120%0.20415%0.148CC..THydrogen-bonded Turntrans-70.4-13.9-176.2-59.6-178000113.7A22 K25 L26 C132 F139A22-L134 HydrophobicContact CB-CD2 3.62Å; K25-L134 HydrophobicContact CB-CD1 4.43Å; K25-L134 HydrophobicContact CG-CD1 4.34Å; L26-L134 HydrophobicContact CD1-CD1 4.03Å; L26-L134 HydrophobicContact CD2-CD1 3.57Å; L26-L134 HydrophobicContact CG-CD1 3.53Å; C132-L134 VanDerWaalsContact C-N 3.33Å; C132-L134 HydrophobicContact CB-CD2 3.8Å; C132-L134 HydrophobicContact CB-CG 4.11Å; C132-L134 PolarHBondContact O-N 3.03Å; C132-L134 VanDerWaalsContact O-N 3.09Å; L134-F139 HydrophobicContact CD2-CE1 4.02Å; L134-F139 HydrophobicContact CD2-CZ 4.22Å
135K89.6Confident95.2Very high194 Ų19434.3 Ų34.384%0.84315%0.148SC*.THydrogen-bonded Turntrans-78.7-36.1173.8-69.6-175.9178.4-179.40111.6D133D133-K135 PolarHBondContact O-N 3.25Å; D133-K135 PolarHBondContact OD1-N 3.23Å
136K90.3Very high95.3Very high128 Ų12830.9 Ų30.956%0.55714%0.136SC*.THydrogen-bonded Turntrans-101.90179.2-59.2-175.7-172.1165.40113.2D133 K138D133-K136 CarbonylContact O-C 3.56Å; D133-K136 PolarHBondContact O-N 3.41Å; D133-K136 PolarHBondContact OD1-N 3.03Å; D133-K136 VanDerWaalsContact OD1-N 3.12Å; D133-K136 WeakPolarHBondContact OD2-CD 3.24Å; K136-K138 HydrophobicContact CB-CD 4.23Å; K136-K138 HydrophobicContact CB-CG 4.17Å; K136-K138 PolarHBondContact O-N 3.31Å
137Y91.9Very high95.2Very high53 Ų5330.7 Ų30.721%0.20814%0.135CC..THydrogen-bonded Turntrans53.239.9-173.6-55.1-83.9000112.8D133 L301 M305 D306D133-Y137 WeakPolarHBondContact O-CA 3.4Å; D133-Y137 PolarHBondContact O-N 3.01Å; Y137-L301 PolarHBondContact O-N 3.34Å; Y137-M305 HydrophobicContact CD1-CB 3.29Å; Y137-M305 HydrophobicContact CD1-CE 4.07Å; Y137-M305 HydrophobicContact CD1-CG 4.23Å; Y137-M305 HydrophobicContact CD1-SD 4.04Å; Y137-M305 HydrophobicContact CE1-CB 3.74Å; Y137-M305 HydrophobicContact CG-CB 3.73Å; Y137-D306 HydrophobicContact CD2-CB 3.84Å; Y137-D306 HydrophobicContact CE2-CB 3.65Å
138K95.7Very high95Very high66 Ų6630.9 Ų30.929%0.28714%0.136SC..EExtended strand (participates in β ladder)trans-108.1128.1178.7-70.6-179175.8-174.60110.6D133 K136 Y140 V299 D300D133-K138 HydrophobicContact CB-CB 4.22Å; D133-K138 PolarHBondContact N-O 3.29Å; D133-K138 PolarHBondContact O-N 3.3Å; K136-K138 HydrophobicContact CB-CD 4.23Å; K136-K138 HydrophobicContact CB-CG 4.17Å; K136-K138 PolarHBondContact O-N 3.31Å; K138-Y140 HydrophobicContact CB-CE2 4.14Å; K138-V299 WeakPolarHBondContact CA-O 3.29Å; K138-D300 WeakPolarHBondContact CE-OD2 3.36Å; K138-D300 HydrophobicContact CG-CB 4.25Å; K138-D300 IonicContact NZ-OD2 2.71Å
139F96.5Very high94.7Very high0 Ų034.5 Ų34.50%016%0.155CC..EExtended strand (participates in β ladder)trans-116.9116.4-177.9-56.4-97.8000109.7W18 A22 C132 L134 V298 V299 L301 M305W18-F139 HydrophobicContact CB-CD2 4.39Å; W18-F139 HydrophobicContact CB-CE1 4.33Å; W18-F139 HydrophobicContact CB-CE2 4.21Å; W18-F139 HydrophobicContact CB-CZ 4.17Å; W18-F139 HydrophobicContact CD2-CB 4.07Å; W18-F139 HydrophobicContact CD2-CD1 4.23Å; W18-F139 HydrophobicContact CD2-CD2 4.41Å; W18-F139 AromaticContact CD2-CG 3.99Å; W18-F139 HydrophobicContact CD2-CG 3.99Å; W18-F139 HydrophobicContact CE3-CB 3.55Å; W18-F139 AromaticContact CE3-CD1 3.44Å; W18-F139 HydrophobicContact CE3-CD1 3.44Å; W18-F139 VanDerWaalsContact CE3-CD1 3.44Å; W18-F139 HydrophobicContact CE3-CD2 4.35Å; W18-F139 HydrophobicContact CE3-CE1 4.21Å; W18-F139 AromaticContact CE3-CG 3.52Å; W18-F139 HydrophobicContact CE3-CG 3.52Å; W18-F139 HydrophobicContact CG-CD2 4.47Å; W18-F139 HydrophobicContact CG-CG 4.46Å; W18-F139 HydrophobicContact CH2-CB 4.08Å; W18-F139 HydrophobicContact CZ3-CB 3.57Å; W18-F139 HydrophobicContact CZ3-CD1 4.03Å; W18-F139 HydrophobicContact CZ3-CG 4.05Å; A22-F139 HydrophobicContact CB-CE1 4.22Å; A22-F139 HydrophobicContact CB-CZ 4.19Å; C132-F139 HydrophobicContact CB-CD1 3.99Å; C132-F139 HydrophobicContact CB-CE1 4.11Å; L134-F139 HydrophobicContact CD2-CE1 4.02Å; L134-F139 HydrophobicContact CD2-CZ 4.22Å; F139-V298 VanDerWaalsContact O-CA 3.32Å; F139-V298 WeakPolarHBondContact O-CA 3.31Å; F139-V299 HydrophobicContact CB-CG1 3.76Å; F139-V299 HydrophobicContact CD2-CG1 4.27Å; F139-V299 HydrophobicContact CG-CG1 4.44Å; F139-V299 PolarHBondContact N-O 2.87Å; F139-V299 PolarHBondContact O-N 2.6Å; F139-L301 HydrophobicContact CD2-CD1 3.91Å; F139-L301 HydrophobicContact CD2-CG 4.27Å; F139-L301 HydrophobicContact CE2-CB 4.21Å; F139-L301 HydrophobicContact CE2-CD1 3.8Å; F139-L301 HydrophobicContact CE2-CG 4.3Å; F139-M305 HydrophobicContact CE2-SD 3.69Å; F139-M305 HydrophobicContact CZ-CE 4.14Å; F139-M305 HydrophobicContact CZ-SD 3.84Å
140Y97.4Very high93.8Very high50 Ų5035 Ų3520%0.19616%0.157CC..EExtended strand (participates in β ladder)trans-94.1132.1174.7-62-105.5000107.4L87 T130 Y131 K138 R297 V298L87-Y140 HydrophobicContact CD1-CD1 3.84Å; L87-Y140 HydrophobicContact CD1-CD2 4.4Å; L87-Y140 HydrophobicContact CD1-CE1 3.84Å; L87-Y140 HydrophobicContact CD1-CE2 4.38Å; L87-Y140 HydrophobicContact CD1-CG 4.15Å; T130-Y140 CarbonylContact C-O 3.57Å; T130-Y140 WeakPolarHBondContact CA-O 3.25Å; Y131-Y140 AromaticContact CD1-CD2 3.44Å; Y131-Y140 HydrophobicContact CD1-CD2 3.44Å; Y131-Y140 VanDerWaalsContact CD1-CD2 3.44Å; Y131-Y140 AromaticContact CD1-CE2 3.96Å; Y131-Y140 HydrophobicContact CD1-CE2 3.96Å; Y131-Y140 HydrophobicContact CD1-CG 4.01Å; Y131-Y140 AromaticContact CE1-CD2 3.92Å; Y131-Y140 HydrophobicContact CE1-CD2 3.92Å; Y131-Y140 AromaticContact CE1-CE2 3.97Å; Y131-Y140 HydrophobicContact CE1-CE2 3.97Å; Y131-Y140 PolarHBondContact N-O 2.94Å; Y131-Y140 PolarHBondContact O-N 2.7Å; K138-Y140 HydrophobicContact CB-CE2 4.14Å; Y140-R297 WeakPolarHBondContact CA-O 3.5Å; Y140-V298 HydrophobicContact CD1-CB 4.35Å; Y140-V298 HydrophobicContact CD1-CG1 4.19Å; Y140-V298 HydrophobicContact CD1-CG2 3.29Å; Y140-V298 HydrophobicContact CD2-CG1 4.47Å; Y140-V298 HydrophobicContact CE1-CB 4.43Å; Y140-V298 HydrophobicContact CE1-CG1 4.02Å; Y140-V298 HydrophobicContact CE1-CG2 3.49Å; Y140-V298 VanDerWaalsContact CE1-CG2 3.49Å; Y140-V298 HydrophobicContact CE2-CG1 4.34Å; Y140-V298 HydrophobicContact CG-CG1 4.39Å; Y140-V298 HydrophobicContact CG-CG2 4.04Å
141F97Very high93Very high5 Ų539.7 Ų39.72%0.02219%0.19CC..EExtended strand (participates in β ladder)trans-152.2157.9-17769.6-84.9000113.9I13 W18 L128 L129 T130 F143 P296 R297 V299I13-F141 HydrophobicContact CD1-CD2 3.77Å; I13-F141 HydrophobicContact CD1-CE1 4.43Å; I13-F141 HydrophobicContact CD1-CE2 3.39Å; I13-F141 HydrophobicContact CD1-CG 4.42Å; I13-F141 HydrophobicContact CD1-CZ 3.75Å; W18-F141 HydrophobicContact CH2-CB 3.78Å; W18-F141 AromaticContact CH2-CD1 3.44Å; W18-F141 HydrophobicContact CH2-CD1 3.44Å; W18-F141 VanDerWaalsContact CH2-CD1 3.44Å; W18-F141 HydrophobicContact CH2-CD2 4.37Å; W18-F141 HydrophobicContact CH2-CE1 4.05Å; W18-F141 AromaticContact CH2-CG 3.62Å; W18-F141 HydrophobicContact CH2-CG 3.62Å; W18-F141 AromaticContact CZ2-CD1 3.64Å; W18-F141 HydrophobicContact CZ2-CD1 3.64Å; W18-F141 AromaticContact CZ2-CE1 3.73Å; W18-F141 HydrophobicContact CZ2-CE1 3.73Å; W18-F141 HydrophobicContact CZ2-CG 4.1Å; W18-F141 HydrophobicContact CZ2-CZ 4.27Å; L128-F141 HydrophobicContact CD1-CB 4Å; L129-F141 CarbonylContact O-C 3.56Å; L129-F141 WeakPolarHBondContact O-CA 3.27Å; T130-F141 HydrophobicContact CG2-CB 3.91Å; F141-F143 HydrophobicContact CD2-CD2 4.13Å; F141-F143 HydrophobicContact CD2-CE2 4.4Å; F141-F143 HydrophobicContact CE2-CD2 4.48Å; F141-P296 CarbonylContact O-C 3.57Å; F141-P296 WeakPolarHBondContact O-CA 3.48Å; F141-P296 WeakPolarHBondContact O-CB 3.44Å; F141-R297 HydrophobicContact CD1-CB 4.07Å; F141-R297 HydrophobicContact CD2-CB 4.27Å; F141-R297 HydrophobicContact CE1-CB 3.54Å; F141-R297 HydrophobicContact CE2-CB 3.76Å; F141-R297 HydrophobicContact CE2-CG 4.3Å; F141-R297 HydrophobicContact CG-CB 4.42Å; F141-R297 HydrophobicContact CZ-CB 3.38Å; F141-R297 HydrophobicContact CZ-CG 4.16Å; F141-R297 PolarHBondContact N-O 3.03Å; F141-R297 PolarHBondContact O-N 3.05Å; F141-V299 HydrophobicContact CE1-CG1 4.3Å
142W97.1Very high92.5Very high22 Ų2240.3 Ų40.38%0.08320%0.197CC..EExtended strand (participates in β ladder)trans-150.3126.9171.5-157.7-2.8000110.7K95 L129 W287 E288 L294 P296K95-W142 HydrophobicContact CD-CE3 4.07Å; K95-W142 HydrophobicContact CD-CH2 4.44Å; K95-W142 HydrophobicContact CD-CZ3 3.53Å; K95-W142 HydrophobicContact CG-CE3 4.39Å; K95-W142 HydrophobicContact CG-CZ3 4.2Å; L129-W142 PolarHBondContact N-O 2.98Å; L129-W142 PolarHBondContact O-N 3.12Å; W142-W287 HydrophobicContact CB-CE3 4.08Å; W142-W287 HydrophobicContact CB-CZ3 3.7Å; W142-W287 AromaticContact CD1-CE3 3.56Å; W142-W287 HydrophobicContact CD2-CD2 4.11Å; W142-W287 AromaticContact CD2-CE3 3.43Å; W142-W287 HydrophobicContact CD2-CE3 3.43Å; W142-W287 VanDerWaalsContact CD2-CE3 3.43Å; W142-W287 AromaticContact CD2-CZ3 3.84Å; W142-W287 HydrophobicContact CD2-CZ3 3.84Å; W142-W287 AromaticContact CE2-CD2 3.98Å; W142-W287 AromaticContact CE2-CE3 3.58Å; W142-W287 HydrophobicContact CE3-CE3 4.12Å; W142-W287 HydrophobicContact CE3-CZ3 4.32Å; W142-W287 HydrophobicContact CG-CD2 4.49Å; W142-W287 AromaticContact CG-CE3 3.41Å; W142-W287 HydrophobicContact CG-CE3 3.41Å; W142-W287 VanDerWaalsContact CG-CE3 3.41Å; W142-W287 AromaticContact CG-CZ3 3.57Å; W142-W287 HydrophobicContact CG-CZ3 3.57Å; W142-W287 HydrophobicContact CZ2-CB 3.77Å; W142-W287 HydrophobicContact CZ2-CD2 4.25Å; W142-W287 HydrophobicContact CZ2-CE3 4.3Å; W142-W287 HydrophobicContact CZ2-CG 4.05Å; W142-W287 AromaticContact NE1-CE3 3.64Å; W142-E288 PolarHBondContact NE1-O 2.81Å; W142-L294 HydrophobicContact CH2-CB 4.4Å; W142-L294 HydrophobicContact CZ2-CB 4Å; W142-P296 HydrophobicContact CB-CB 4.14Å; W142-P296 HydrophobicContact CD2-CB 4.39Å; W142-P296 HydrophobicContact CE3-CB 4.24Å; W142-P296 HydrophobicContact CE3-CG 4.48Å; W142-P296 HydrophobicContact CG-CB 4.37Å
143F96.7Very high92.2Very high0 Ų041.9 Ų41.90%020%0.203CC..EExtended strand (participates in β ladder)trans-88.7143.3173.9-91.6-98.9000111.8T11 I13 I56 F126 I127 L128 F141 F145 W287 E288T11-F143 HydrophobicContact CG2-CD1 3.89Å; T11-F143 HydrophobicContact CG2-CD2 3.69Å; T11-F143 HydrophobicContact CG2-CE1 3.75Å; T11-F143 HydrophobicContact CG2-CE2 3.57Å; T11-F143 HydrophobicContact CG2-CG 3.87Å; T11-F143 HydrophobicContact CG2-CZ 3.63Å; T11-F143 WeakPolarHBondContact OG1-CG 3.46Å; I13-F143 HydrophobicContact CD1-CD2 4.4Å; I13-F143 HydrophobicContact CD1-CE2 3.71Å; I13-F143 HydrophobicContact CG1-CE2 4.36Å; I56-F143 HydrophobicContact CD1-CE2 3.99Å; I56-F143 HydrophobicContact CD1-CZ 3.57Å; I56-F143 HydrophobicContact CG2-CZ 4.32Å; F126-F143 AromaticContact CD2-CD1 3.91Å; F126-F143 HydrophobicContact CD2-CD1 3.91Å; F126-F143 AromaticContact CD2-CE1 3.48Å; F126-F143 HydrophobicContact CD2-CE1 3.48Å; F126-F143 VanDerWaalsContact CD2-CE1 3.48Å; F126-F143 HydrophobicContact CD2-CZ 4.5Å; F126-F143 HydrophobicContact CE2-CD1 4.46Å; F126-F143 AromaticContact CE2-CE1 3.59Å; F126-F143 HydrophobicContact CE2-CE1 3.59Å; F126-F143 HydrophobicContact CE2-CZ 4.26Å; F126-F143 HydrophobicContact CG-CE1 4.43Å; I127-F143 CarbonylContact O-C 3.52Å; I127-F143 WeakPolarHBondContact O-CA 3.44Å; L128-F143 HydrophobicContact CB-CE1 4.22Å; L128-F143 HydrophobicContact CB-CE2 4.23Å; L128-F143 HydrophobicContact CB-CZ 3.93Å; L128-F143 HydrophobicContact CD1-CD2 3.65Å; L128-F143 HydrophobicContact CD1-CE2 3.27Å; L128-F143 HydrophobicContact CD1-CG 4.46Å; L128-F143 HydrophobicContact CD1-CZ 3.85Å; L128-F143 HydrophobicContact CD2-CE2 3.84Å; L128-F143 HydrophobicContact CD2-CZ 3.68Å; L128-F143 HydrophobicContact CG-CE2 3.93Å; L128-F143 HydrophobicContact CG-CZ 3.99Å; F141-F143 HydrophobicContact CD2-CD2 4.13Å; F141-F143 HydrophobicContact CD2-CE2 4.4Å; F141-F143 HydrophobicContact CE2-CD2 4.48Å; F143-F145 HydrophobicContact CB-CZ 4.19Å; F143-F145 HydrophobicContact CD1-CE1 4.1Å; F143-F145 HydrophobicContact CD1-CZ 4.08Å; F143-W287 VanDerWaalsContact O-CE3 3.31Å; F143-E288 HydrophobicContact CB-CB 4.12Å; F143-E288 WeakPolarHBondContact O-CB 3.29Å; F143-E288 PolarHBondContact O-N 3.42Å
144A95.9Very high92.1Very high0 Ų040.8 Ų40.80%020%0.198CC..EExtended strand (participates in β ladder)trans-131.1143.8165.700000111.6L99 F126 I127 G286 W287L99-A144 HydrophobicContact CD1-CB 3.81Å; F126-A144 CarbonylContact C-O 3.45Å; F126-A144 VanDerWaalsContact CA-O 3.25Å; F126-A144 WeakPolarHBondContact CA-O 3.16Å; F126-A144 WeakPolarHBondContact CB-O 3.18Å; I127-A144 HydrophobicContact CB-CB 4.22Å; I127-A144 PolarHBondContact N-O 3.36Å; I127-A144 PolarHBondContact O-N 3.1Å; A144-G286 CarbonylContact C-O 3.45Å; A144-G286 VanDerWaalsContact CA-O 3.32Å; A144-G286 WeakPolarHBondContact CA-O 3.47Å; A144-W287 HydrophobicContact CB-CD2 3.75Å; A144-W287 HydrophobicContact CB-CE3 3.61Å; A144-W287 HydrophobicContact CB-CG 4.34Å; A144-W287 HydrophobicContact CB-CH2 4.17Å; A144-W287 HydrophobicContact CB-CZ2 4.31Å; A144-W287 HydrophobicContact CB-CZ3 3.82Å
145F94.9Very high92.2Very high7 Ų741 Ų413%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-117.384.1174.8-52.4-65.1000108.8F9 L54 F126 F143 A147 W228 G286F9-F145 HydrophobicContact CB-CD2 4.25Å; F9-F145 HydrophobicContact CB-CE1 4.32Å; F9-F145 HydrophobicContact CB-CE2 3.72Å; F9-F145 HydrophobicContact CB-CZ 3.76Å; F9-F145 HydrophobicContact CD2-CD1 4.48Å; L54-F145 HydrophobicContact CD2-CD1 4.38Å; L54-F145 HydrophobicContact CD2-CE1 3.44Å; L54-F145 VanDerWaalsContact CD2-CE1 3.44Å; L54-F145 HydrophobicContact CD2-CZ 4.12Å; F126-F145 HydrophobicContact CB-CD1 3.76Å; F126-F145 HydrophobicContact CB-CE1 3.94Å; F143-F145 HydrophobicContact CB-CZ 4.19Å; F143-F145 HydrophobicContact CD1-CE1 4.1Å; F143-F145 HydrophobicContact CD1-CZ 4.08Å; F145-A147 PolarHBondContact O-N 2.68Å; F145-A147 VanDerWaalsContact O-N 3.15Å; F145-W228 PolarHBondContact O-NE1 2.69Å; F145-G286 PolarHBondContact N-O 3.22Å; F145-G286 WeakPolarHBondContact O-CA 3.26Å
146P94.9Very high92.5Very high2 Ų232.5 Ų32.51%0.01317%0.165CC..EExtended strand (participates in β ladder)trans-62.7123-167.3-11.322.4000111.3L99 F106 R125 I127 N232 F284 V285L99-P146 HydrophobicContact CD1-CB 3.62Å; L99-P146 HydrophobicContact CD1-CG 3.69Å; F106-P146 HydrophobicContact CE1-CB 3.95Å; F106-P146 HydrophobicContact CE1-CG 4.33Å; F106-P146 HydrophobicContact CZ-CB 4.5Å; R125-P146 WeakPolarHBondContact O-CD 3.45Å; I127-P146 HydrophobicContact CD1-CG 3.86Å; I127-P146 HydrophobicContact CG1-CG 4.04Å; P146-N232 PolarHBondContact O-ND2 2.93Å; P146-F284 HydrophobicContact CB-CD1 4.03Å; P146-V285 WeakPolarHBondContact CA-O 3.44Å
147A94.1Very high92.7Very high0 Ų029.5 Ų29.50%016%0.157CC..EExtended strand (participates in β ladder)trans-129.6138.5173.500000110.2F145 L149 W228 R231 N232 F284 V285F145-A147 PolarHBondContact O-N 2.68Å; F145-A147 VanDerWaalsContact O-N 3.15Å; A147-L149 PolarHBondContact O-N 3.41Å; A147-W228 HydrophobicContact CB-CZ2 3.78Å; A147-R231 HydrophobicContact CB-CB 4.12Å; A147-N232 VanDerWaalsContact CA-OD1 3.25Å; A147-N232 WeakPolarHBondContact CA-OD1 3.03Å; A147-F284 CarbonylContact O-C 3.56Å; A147-F284 VanDerWaalsContact O-CA 3.29Å; A147-F284 WeakPolarHBondContact O-CA 3.29Å; A147-V285 PolarHBondContact N-O 3.04Å; A147-V285 PolarHBondContact O-N 2.68Å
148V92.9Very high92.8Very high6 Ų628.5 Ų28.54%0.03616%0.158CC..EExtended strand (participates in β ladder)trans-63.4132.9179.7179.50000109.7M107 H150 N232 Y235 F281 F284M107-V148 HydrophobicContact CE-CG2 3.48Å; M107-V148 VanDerWaalsContact CE-CG2 3.48Å; M107-V148 HydrophobicContact CG-CG2 3.9Å; M107-V148 HydrophobicContact SD-CG2 4.36Å; V148-H150 VanDerWaalsContact C-N 3.3Å; V148-H150 PolarHBondContact O-N 2.75Å; V148-N232 PolarHBondContact N-OD1 2.94Å; V148-Y235 HydrophobicContact CB-CD1 4.06Å; V148-Y235 HydrophobicContact CB-CD2 4.1Å; V148-Y235 HydrophobicContact CB-CE1 4.28Å; V148-Y235 HydrophobicContact CB-CE2 4.31Å; V148-Y235 HydrophobicContact CB-CG 3.98Å; V148-Y235 HydrophobicContact CG1-CD1 4.24Å; V148-Y235 HydrophobicContact CG1-CD2 3.78Å; V148-Y235 HydrophobicContact CG1-CE1 4.04Å; V148-Y235 HydrophobicContact CG1-CE2 3.54Å; V148-Y235 HydrophobicContact CG1-CG 4.13Å; V148-Y235 HydrophobicContact CG2-CD1 3.81Å; V148-Y235 HydrophobicContact CG2-CE1 3.91Å; V148-Y235 HydrophobicContact CG2-CG 4.24Å; V148-F281 HydrophobicContact CG1-CB 3.81Å; V148-F281 HydrophobicContact CG2-CB 4.34Å; V148-F284 HydrophobicContact CB-CE1 4.35Å; V148-F284 HydrophobicContact CG2-CD1 4.09Å; V148-F284 HydrophobicContact CG2-CE1 3.35Å; V148-F284 HydrophobicContact CG2-CE2 4.42Å; V148-F284 HydrophobicContact CG2-CZ 3.53Å
149L88.9Confident92.8Very high77 Ų7727.6 Ų27.640%0.40316%0.158SC..  trans-72.889.5169.6-174.264.3000109.2A147 S151 Q283 V285A147-L149 PolarHBondContact O-N 3.41Å; L149-S151 PolarHBondContact O-N 2.9Å; L149-Q283 HydrophobicContact CB-CB 4.3Å; L149-Q283 HydrophobicContact CB-CG 4.45Å; L149-Q283 WeakPolarHBondContact CB-O 3.36Å; L149-Q283 HydrophobicContact CD2-CB 4.41Å; L149-Q283 HydrophobicContact CD2-CG 4.16Å; L149-Q283 PolarHBondContact N-O 2.99Å; L149-V285 HydrophobicContact CD1-CG1 4.24Å
150H80.4Confident92.7Very high12 Ų1232.8 Ų32.86%0.05618%0.178CC..  trans-63.9121.8-176.6-157.4-27.8000111.1V148 V152 Q153 Y235V148-H150 VanDerWaalsContact C-N 3.3Å; V148-H150 PolarHBondContact O-N 2.75Å; H150-V152 PolarHBondContact CE1-O 2.86Å; H150-V152 PolarHBondContact ND1-N 2.93Å; H150-V152 PolarHBondContact ND1-O 3.47Å; H150-V152 PolarHBondContact NE2-O 3.45Å; H150-Q153 PolarHBondContact O-NE2 2.79Å; H150-Y235 HydrophobicContact CB-CD2 4.39Å; H150-Y235 AromaticContact CD2-CD2 3.85Å; H150-Y235 AromaticContact CG-CD2 3.89Å
151S80Confident92.5Very high98 Ų9832.1 Ų32.169%0.68518%0.18SC*.SBendtrans-63.9-40.3176.650.20000112.2L149 T277L149-S151 PolarHBondContact O-N 2.9Å; S151-T277 PolarHBondContact OG-OG1 3.41Å
152V86.5Confident92.4Very high49 Ų4931.9 Ų31.930%0.29718%0.179SC..SBendtrans-112.192.6179.2-173.10000110.7H150 Q275H150-V152 PolarHBondContact CE1-O 2.86Å; H150-V152 PolarHBondContact ND1-N 2.93Å; H150-V152 PolarHBondContact ND1-O 3.47Å; H150-V152 PolarHBondContact NE2-O 3.45Å; V152-Q275 HydrophobicContact CG1-CB 3.8Å; V152-Q275 HydrophobicContact CG1-CG 4.41Å
153Q88.5Confident92.2Very high47 Ų4736.4 Ų36.422%0.2220%0.196CC..  trans-71.4141.3-176.6-59.8-74.8-31.300111.8V3 H150V3-Q153 HydrophobicContact CG1-CB 3.51Å; V3-Q153 HydrophobicContact CG1-CG 3.9Å; H150-Q153 PolarHBondContact O-NE2 2.79Å
154P92.8Very high92.1Very high2 Ų242.8 Ų42.81%0.01323%0.226CC..  trans-58.7138.8171.3-22.732.6000112.2L4 L234 I272 I274L4-P154 HydrophobicContact CB-CB 4.49Å; L4-P154 PolarHBondContact N-O 3.41Å; P154-L234 HydrophobicContact CB-CD1 4.47Å; P154-L234 HydrophobicContact CG-CB 4.38Å; P154-L234 HydrophobicContact CG-CD1 3.96Å; P154-I272 HydrophobicContact CB-CB 4.42Å; P154-I272 HydrophobicContact CB-CD1 4.07Å; P154-I274 HydrophobicContact CG-CD1 4.47Å
155V94.6Very high92Very high44 Ų4444.4 Ų44.427%0.26723%0.234SC..EExtended strand (participates in β ladder)trans-105.8123.7-178.1179.90000109.7M1 T157 I272 N273M1-V155 HydrophobicContact CB-CG1 3.57Å; M1-V155 HydrophobicContact CG-CG1 4.03Å; M1-V155 HydrophobicContact SD-CG1 4.1Å; V155-T157 PolarHBondContact O-N 3.02Å; V155-I272 CarbonylContact O-C 3.52Å; V155-I272 VanDerWaalsContact O-CA 3.29Å; V155-I272 WeakPolarHBondContact O-CA 3.2Å; V155-N273 PolarHBondContact N-O 2.85Å; V155-N273 PolarHBondContact O-N 3.15Å
156V95.8Very high91.9Very high15 Ų1544.5 Ų44.59%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-73.7122.8178-176.30000109.8M1 S2 L4 I270 I272M1-V156 VanDerWaalsContact CA-O 3.22Å; M1-V156 WeakPolarHBondContact CA-O 3.32Å; S2-V156 PolarHBondContact N-O 3.36Å; S2-V156 PolarHBondContact O-N 2.87Å; L4-V156 HydrophobicContact CB-CG2 3.83Å; L4-V156 HydrophobicContact CD1-CG2 3.72Å; L4-V156 HydrophobicContact CG-CG2 4.35Å; V156-I270 HydrophobicContact CG1-CG2 3.92Å; V156-I270 HydrophobicContact CG2-CG2 4.14Å; V156-I272 HydrophobicContact CG2-CG2 4.35Å
157T94.5Very high91.9Very high65 Ų6547.2 Ų47.240%0.39925%0.253SS..EExtended strand (participates in β ladder)trans-91.9-43.2173.857.50000111V155 H271 N273V155-T157 PolarHBondContact O-N 3.02Å; T157-H271 PolarHBondContact N-O 3.03Å; T157-H271 VanDerWaalsContact OG1-C 3.31Å; T157-H271 WeakPolarHBondContact OG1-CB 3.45Å; T157-H271 PolarHBondContact OG1-O 2.99Å; T157-N273 HydrophobicContact CG2-CB 4.2Å
158S94.6Very high91.8Very high31 Ų3152.1 Ų52.122%0.21728%0.276CS..EExtended strand (participates in β ladder)trans-156.5146.517064.40000112R160 H271S158-R160 PolarHBondContact OG-NE 3.44Å; S158-H271 PolarHBondContact N-O 3.4Å; S158-H271 PolarHBondContact O-N 2.82Å
159T95.3Very high91.8Very high47 Ų4758 Ų5829%0.28831%0.307SS..EExtended strand (participates in β ladder)trans-114.3130.1167.1-57.70000108.3I268 V269 I270T159-I268 HydrophobicContact CG2-CB 4.17Å; T159-I268 HydrophobicContact CG2-CD1 4.09Å; T159-V269 WeakPolarHBondContact CA-O 3.22Å; T159-I270 HydrophobicContact CG2-CG1 4.16Å
160R94.2Very high92Very high109 Ų10957.5 Ų57.541%0.41130%0.303SS..EExtended strand (participates in β ladder)trans-129.3153.4-176.5-58.7-176.6-169-165-1.4110.3S158 E164 E165 I268 V269S158-R160 PolarHBondContact OG-NE 3.44Å; R160-E164 WeakPolarHBondContact CA-OE2 3.34Å; R160-E164 HydrophobicContact CB-CB 4.24Å; R160-E164 WeakPolarHBondContact CB-OE2 3.28Å; R160-E165 WeakPolarHBondContact CD-OE2 3.25Å; R160-E165 IonicContact NH1-OE2 3.99Å; R160-I268 CarbonylContact O-C 3.58Å; R160-I268 WeakPolarHBondContact O-CA 3.4Å; R160-V269 PolarHBondContact N-O 2.96Å; R160-V269 PolarHBondContact O-N 2.96Å
161S93.9Very high92.7Very high36 Ų3657 Ų5725%0.25230%0.301SS..EExtended strand (participates in β ladder)trans-65.8149.3166.8175.30000109.7R163 E164 E165 E265S161-R163 PolarHBondContact O-N 2.86Å; S161-R163 VanDerWaalsContact O-N 3.13Å; S161-R163 PolarHBondContact OG-N 3.15Å; S161-E164 PolarHBondContact N-OE2 2.96Å; S161-E164 WeakPolarHBondContact O-CB 3.37Å; S161-E164 PolarHBondContact O-N 3.11Å; S161-E165 PolarHBondContact O-N 2.9Å; S161-E265 PolarHBondContact OG-O 3.2Å
162I94.6Very high93.3Very high0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-54.8-30.2173.2-158.9-178.2000112.5E164 E165 F166 L171 F175 L251 L253 W264 S267I162-E164 VanDerWaalsContact C-N 3.33Å; I162-E165 PolarHBondContact O-N 3.03Å; I162-F166 HydrophobicContact CG1-CD2 3.92Å; I162-F166 HydrophobicContact CG1-CE2 4.37Å; I162-F166 PolarHBondContact O-N 3.07Å; I162-F166 VanDerWaalsContact O-N 3.16Å; I162-L171 HydrophobicContact CD1-CD2 3.76Å; I162-L171 HydrophobicContact CG1-CD2 3.75Å; I162-L171 HydrophobicContact CG2-CD2 4.39Å; I162-F175 HydrophobicContact CD1-CZ 4.29Å; I162-L251 HydrophobicContact CD1-CD1 3.86Å; I162-L251 HydrophobicContact CG1-CD1 4.01Å; I162-L253 HydrophobicContact CD1-CD1 4.4Å; I162-W264 HydrophobicContact CG2-CE3 3.8Å; I162-W264 HydrophobicContact CG2-CZ3 3.97Å; I162-S267 PolarHBondContact N-O 3.24Å
163R92.7Very high93.7Very high117 Ų11758.7 Ų58.744%0.44230%0.303SS..Hα-helixtrans-70.3-25.2175.7-73.1-170.7169.3-176.1-1.2114.2S161 W264 E265S161-R163 PolarHBondContact O-N 2.86Å; S161-R163 VanDerWaalsContact O-N 3.13Å; S161-R163 PolarHBondContact OG-N 3.15Å; R163-W264 HydrophobicContact CG-CH2 4.43Å; R163-W264 HydrophobicContact CG-CZ3 3.91Å; R163-E265 IonicContact CZ-OE1 3.34Å; R163-E265 IonicContact NH1-OE1 2.74Å; R163-E265 IonicContact NH2-OE1 3.92Å; R163-E265 PolarHBondContact NH2-OE1 3.4Å
164E93.2Very high94Very high135 Ų13556.6 Ų56.663%0.63129%0.294SS*.Hα-helixtrans-84.5-21.4178.1-64.7169.9164.100111.6R160 S161 I162R160-E164 WeakPolarHBondContact CA-OE2 3.34Å; R160-E164 HydrophobicContact CB-CB 4.24Å; R160-E164 WeakPolarHBondContact CB-OE2 3.28Å; S161-E164 PolarHBondContact N-OE2 2.96Å; S161-E164 WeakPolarHBondContact O-CB 3.37Å; S161-E164 PolarHBondContact O-N 3.11Å; I162-E164 VanDerWaalsContact C-N 3.33Å
165E93.9Very high94Very high33 Ų3357.2 Ų57.215%0.15430%0.296CS..Hα-helixtrans-92.2-34.7-179-166.476.3-166.700112.9R160 S161 I162 Y213 K249 V269 H271R160-E165 WeakPolarHBondContact CD-OE2 3.25Å; R160-E165 IonicContact NH1-OE2 3.99Å; S161-E165 PolarHBondContact O-N 2.9Å; I162-E165 PolarHBondContact O-N 3.03Å; E165-Y213 HydrophobicContact CG-CE1 4.01Å; E165-Y213 PolarHBondContact OE1-OH 3.23Å; E165-K249 IonicContact OE1-NZ 2.81Å; E165-V269 HydrophobicContact CB-CB 4.29Å; E165-V269 HydrophobicContact CB-CG2 3.93Å; E165-V269 HydrophobicContact CG-CB 4.26Å; E165-V269 HydrophobicContact CG-CG1 4.05Å; E165-V269 HydrophobicContact CG-CG2 4.04Å; E165-H271 VanDerWaalsContact CD-NE2 3.34Å; E165-H271 IonicContact OE1-CE1 3.26Å; E165-H271 PolarHBondContact OE1-CE1 3.01Å; E165-H271 VanDerWaalsContact OE1-CE1 3.26Å; E165-H271 IonicContact OE1-NE2 3.23Å; E165-H271 PolarHBondContact OE1-NE2 2.88Å; E165-H271 IonicContact OE2-CE1 3.58Å; E165-H271 IonicContact OE2-NE2 2.87Å; E165-H271 PolarHBondContact OE2-NE2 2.87Å
166F94.5Very high93.9Very high10 Ų1063.5 Ų63.54%0.04432%0.315CS..SBendtrans-126.4144-174.2-59.4-74.8000111.8I162 Q170 L171 I174 L192 Y213 V269I162-F166 HydrophobicContact CG1-CD2 3.92Å; I162-F166 HydrophobicContact CG1-CE2 4.37Å; I162-F166 PolarHBondContact O-N 3.07Å; I162-F166 VanDerWaalsContact O-N 3.16Å; F166-Q170 HydrophobicContact CB-CB 4.1Å; F166-L171 HydrophobicContact CB-CD2 4.03Å; F166-L171 HydrophobicContact CB-CG 3.95Å; F166-I174 HydrophobicContact CB-CD1 4.2Å; F166-I174 HydrophobicContact CD1-CD1 3.72Å; F166-I174 HydrophobicContact CD2-CD1 3.84Å; F166-I174 HydrophobicContact CE1-CD1 3.98Å; F166-I174 HydrophobicContact CE2-CD1 4.09Å; F166-I174 HydrophobicContact CG-CD1 3.64Å; F166-I174 HydrophobicContact CZ-CD1 4.15Å; F166-L192 HydrophobicContact CE1-CD2 4.16Å; F166-L192 HydrophobicContact CE2-CD2 4.18Å; F166-L192 HydrophobicContact CZ-CD2 3.58Å; F166-Y213 AromaticContact CE1-CE2 3.97Å; F166-Y213 HydrophobicContact CE1-CE2 3.97Å; F166-Y213 AromaticContact CE1-CZ 3.96Å; F166-Y213 HydrophobicContact CE2-CE1 4.41Å; F166-Y213 HydrophobicContact CZ-CD1 4.17Å; F166-Y213 HydrophobicContact CZ-CD2 4.16Å; F166-Y213 AromaticContact CZ-CE1 3.76Å; F166-Y213 HydrophobicContact CZ-CE1 3.76Å; F166-Y213 AromaticContact CZ-CE2 3.76Å; F166-Y213 HydrophobicContact CZ-CE2 3.76Å; F166-Y213 HydrophobicContact CZ-CG 4.38Å; F166-Y213 AromaticContact CZ-CZ 3.56Å; F166-V269 HydrophobicContact CE2-CG2 4.08Å
167S93.7Very high93.9Very high59 Ų5963.8 Ų63.841%0.41332%0.318SS..  trans-71.2160.817275.20000111.8D169 Q170 L171S167-D169 VanDerWaalsContact C-N 3.28Å; S167-D169 PolarHBondContact O-N 3.14Å; S167-Q170 WeakPolarHBondContact O-CA 3.45Å; S167-Q170 WeakPolarHBondContact O-CB 3.31Å; S167-Q170 PolarHBondContact O-N 3.16Å; S167-Q170 WeakPolarHBondContact OG-CG 3.13Å; S167-Q170 PolarHBondContact OG-N 2.83Å; S167-L171 WeakPolarHBondContact O-CG 3.4Å; S167-L171 PolarHBondContact O-N 3.14Å
168E92.1Very high93.8Very high103 Ų10360.9 Ų60.948%0.48130%0.299SS..Hα-helixtrans-55.2-41.5177-67.4-62148.200112.5Q170 L171 V172E168-Q170 VanDerWaalsContact C-N 3.32Å; E168-Q170 PolarHBondContact O-N 3.01Å; E168-L171 PolarHBondContact O-N 3.04Å; E168-V172 WeakPolarHBondContact O-CG2 3.26Å; E168-V172 PolarHBondContact O-N 2.94Å
169D92.9Very high93.7Very high129 Ų12962.5 Ų62.569%0.6931%0.305SS*.Hα-helixtrans-62.4-39.2175.4-66.2-33.4000112.2S167 L173S167-D169 VanDerWaalsContact C-N 3.28Å; S167-D169 PolarHBondContact O-N 3.14Å; D169-L173 WeakPolarHBondContact O-CG 3.29Å; D169-L173 PolarHBondContact O-N 2.93Å
170Q94Very high93.5Very high66 Ų6663.5 Ų63.531%0.30831%0.314SS..Hα-helixtrans-67.8-41.1176.4-68.7-178.9-43.800111.2F166 S167 E168 V172 L173 I174 I198F166-Q170 HydrophobicContact CB-CB 4.1Å; S167-Q170 WeakPolarHBondContact O-CA 3.45Å; S167-Q170 WeakPolarHBondContact O-CB 3.31Å; S167-Q170 PolarHBondContact O-N 3.16Å; S167-Q170 WeakPolarHBondContact OG-CG 3.13Å; S167-Q170 PolarHBondContact OG-N 2.83Å; E168-Q170 VanDerWaalsContact C-N 3.32Å; E168-Q170 PolarHBondContact O-N 3.01Å; Q170-V172 PolarHBondContact O-N 3.09Å; Q170-L173 PolarHBondContact O-N 3.16Å; Q170-L173 VanDerWaalsContact O-N 3.16Å; Q170-I174 VanDerWaalsContact O-CG1 3.25Å; Q170-I174 WeakPolarHBondContact O-CG1 3.47Å; Q170-I174 PolarHBondContact O-N 3Å; Q170-I198 HydrophobicContact CB-CD1 3.47Å; Q170-I198 VanDerWaalsContact CB-CD1 3.47Å; Q170-I198 HydrophobicContact CG-CD1 3.56Å
171L93.8Very high93.3Very high2 Ų259 Ų591%0.0130%0.297CS..Hα-helixtrans-60.5-44.4177.8-71.3162.3000111.2I162 F166 S167 E168 L173 I174 F175 W264I162-L171 HydrophobicContact CD1-CD2 3.76Å; I162-L171 HydrophobicContact CG1-CD2 3.75Å; I162-L171 HydrophobicContact CG2-CD2 4.39Å; F166-L171 HydrophobicContact CB-CD2 4.03Å; F166-L171 HydrophobicContact CB-CG 3.95Å; S167-L171 WeakPolarHBondContact O-CG 3.4Å; S167-L171 PolarHBondContact O-N 3.14Å; E168-L171 PolarHBondContact O-N 3.04Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 3.36Å; L171-I174 PolarHBondContact O-N 2.86Å; L171-F175 HydrophobicContact CB-CD2 4.47Å; L171-F175 HydrophobicContact CB-CE2 4.39Å; L171-F175 HydrophobicContact CD2-CE2 4.18Å; L171-F175 WeakPolarHBondContact O-CD2 3.37Å; L171-F175 PolarHBondContact O-N 2.89Å; L171-W264 HydrophobicContact CB-CH2 4.41Å; L171-W264 HydrophobicContact CD1-CH2 3.67Å; L171-W264 HydrophobicContact CD1-CZ3 3.71Å; L171-W264 HydrophobicContact CD2-CE3 4.46Å; L171-W264 HydrophobicContact CD2-CZ3 4.03Å; L171-W264 HydrophobicContact CG-CH2 4.43Å; L171-W264 HydrophobicContact CG-CZ3 4.36Å
172V93.1Very high93.1Very high98 Ų9858.5 Ų58.559%0.59429%0.289SS*.Hα-helixtrans-56.7-43.8174.4172.60000111.3E168 Q170 R176E168-V172 WeakPolarHBondContact O-CG2 3.26Å; E168-V172 PolarHBondContact O-N 2.94Å; Q170-V172 PolarHBondContact O-N 3.09Å; V172-R176 VanDerWaalsContact O-CB 3.3Å; V172-R176 WeakPolarHBondContact O-CB 3.48Å; V172-R176 PolarHBondContact O-N 2.87Å
173L94.7Very high92.7Very high85 Ų8566.7 Ų66.745%0.44533%0.325SS..Hα-helixtrans-67.9-41.8177.1-67.3173.1000112.4D169 Q170 L171 R176 S177 I198D169-L173 WeakPolarHBondContact O-CG 3.29Å; D169-L173 PolarHBondContact O-N 2.93Å; Q170-L173 PolarHBondContact O-N 3.16Å; Q170-L173 VanDerWaalsContact O-N 3.16Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 3.36Å; L173-R176 PolarHBondContact O-N 2.81Å; L173-S177 VanDerWaalsContact O-CB 3.31Å; L173-S177 WeakPolarHBondContact O-CB 3.31Å; L173-S177 PolarHBondContact O-N 3.13Å; L173-I198 HydrophobicContact CB-CB 4.11Å; L173-I198 HydrophobicContact CB-CD1 4.28Å; L173-I198 HydrophobicContact CB-CG2 3.97Å; L173-I198 HydrophobicContact CD1-CD1 4.39Å
174I94.9Very high92.3Very high3 Ų369.3 Ų69.32%0.01534%0.342CS..Hα-helixtrans-58.2-51.5176.8-70.6166.7000109.7F166 Q170 L171 S177 F178 L192 I198F166-I174 HydrophobicContact CB-CD1 4.2Å; F166-I174 HydrophobicContact CD1-CD1 3.72Å; F166-I174 HydrophobicContact CD2-CD1 3.84Å; F166-I174 HydrophobicContact CE1-CD1 3.98Å; F166-I174 HydrophobicContact CE2-CD1 4.09Å; F166-I174 HydrophobicContact CG-CD1 3.64Å; F166-I174 HydrophobicContact CZ-CD1 4.15Å; Q170-I174 VanDerWaalsContact O-CG1 3.25Å; Q170-I174 WeakPolarHBondContact O-CG1 3.47Å; Q170-I174 PolarHBondContact O-N 3Å; L171-I174 PolarHBondContact O-N 2.86Å; I174-S177 PolarHBondContact O-N 2.82Å; I174-F178 VanDerWaalsContact O-CB 3.29Å; I174-F178 WeakPolarHBondContact O-CB 3.36Å; I174-F178 PolarHBondContact O-N 2.82Å; I174-L192 HydrophobicContact CD1-CD2 3.95Å; I174-L192 HydrophobicContact CG1-CD1 3.96Å; I174-L192 HydrophobicContact CG1-CD2 4.19Å; I174-I198 HydrophobicContact CB-CG2 4.3Å; I174-I198 HydrophobicContact CG1-CD1 4.4Å; I174-I198 HydrophobicContact CG1-CG2 3.52Å
175F93.1Very high92Very high14 Ų1464.9 Ų64.96%0.06132%0.323CS..Hα-helixtrans-67.2-39.2-178.1-76.2-61000112.6I162 L171 S177 F178 D179 L253 W264I162-F175 HydrophobicContact CD1-CZ 4.29Å; L171-F175 HydrophobicContact CB-CD2 4.47Å; L171-F175 HydrophobicContact CB-CE2 4.39Å; L171-F175 HydrophobicContact CD2-CE2 4.18Å; L171-F175 WeakPolarHBondContact O-CD2 3.37Å; L171-F175 PolarHBondContact O-N 2.89Å; F175-S177 VanDerWaalsContact C-N 3.34Å; F175-S177 PolarHBondContact O-N 3.14Å; F175-F178 PolarHBondContact O-N 2.85Å; F175-D179 WeakPolarHBondContact O-CB 3.48Å; F175-D179 PolarHBondContact O-N 3.38Å; F175-L253 HydrophobicContact CE1-CD1 3.63Å; F175-L253 HydrophobicContact CZ-CD1 3.97Å; F175-W264 HydrophobicContact CD2-CD2 4.33Å; F175-W264 HydrophobicContact CD2-CG 4.35Å; F175-W264 HydrophobicContact CE1-CB 3.78Å; F175-W264 AromaticContact CE1-CG 3.93Å; F175-W264 HydrophobicContact CE1-CG 3.93Å; F175-W264 HydrophobicContact CE2-CB 4.09Å; F175-W264 AromaticContact CE2-CD1 3.81Å; F175-W264 AromaticContact CE2-CD2 3.34Å; F175-W264 HydrophobicContact CE2-CD2 3.34Å; F175-W264 AromaticContact CE2-CE2 3.69Å; F175-W264 AromaticContact CE2-CE3 3.74Å; F175-W264 HydrophobicContact CE2-CE3 3.74Å; F175-W264 AromaticContact CE2-CG 3.46Å; F175-W264 HydrophobicContact CE2-CG 3.46Å; F175-W264 VanDerWaalsContact CE2-CG 3.46Å; F175-W264 HydrophobicContact CE2-CZ2 4.37Å; F175-W264 HydrophobicContact CE2-CZ3 4.41Å; F175-W264 AromaticContact CE2-NE1 3.93Å; F175-W264 HydrophobicContact CZ-CB 3.32Å; F175-W264 AromaticContact CZ-CD1 3.82Å; F175-W264 AromaticContact CZ-CD2 3.55Å; F175-W264 HydrophobicContact CZ-CD2 3.55Å; F175-W264 AromaticContact CZ-CE3 3.97Å; F175-W264 HydrophobicContact CZ-CE3 3.97Å; F175-W264 AromaticContact CZ-CG 3.23Å; F175-W264 HydrophobicContact CZ-CG 3.23Å
176R93.3Very high91.6Very high177 Ų17766.9 Ų66.967%0.66834%0.338SS*.Hα-helixtrans-60.2-45.2172.7-178.6179.8176.6175.4-0.4111.6V172 L173 C180V172-R176 VanDerWaalsContact O-CB 3.3Å; V172-R176 WeakPolarHBondContact O-CB 3.48Å; V172-R176 PolarHBondContact O-N 2.87Å; L173-R176 PolarHBondContact O-N 2.81Å; R176-C180 PolarHBondContact O-N 3.23Å; R176-C180 VanDerWaalsContact O-N 3.1Å; R176-C180 PolarHBondContact O-SG 2.81Å; R176-C180 VanDerWaalsContact O-SG 3.33Å
177S94.4Very high91.4Very high21 Ų2167 Ų6715%0.14734%0.339CS..Hα-helixtrans-67-41.5178.9-165.20000111.3L173 I174 F175 C180 W181 I200L173-S177 VanDerWaalsContact O-CB 3.31Å; L173-S177 WeakPolarHBondContact O-CB 3.31Å; L173-S177 PolarHBondContact O-N 3.13Å; I174-S177 PolarHBondContact O-N 2.82Å; F175-S177 VanDerWaalsContact C-N 3.34Å; F175-S177 PolarHBondContact O-N 3.14Å; S177-C180 PolarHBondContact O-N 3.45Å; S177-W181 WeakPolarHBondContact O-CB 3.45Å; S177-W181 PolarHBondContact O-N 3.37Å; S177-I200 PolarHBondContact OG-N 2.82Å
178F93.4Very high91.4Very high4 Ų464.2 Ų64.22%0.01832%0.32CS..Hα-helixtrans-61.7-45.8175.6-178-99.9000112.1I174 F175 C180 W181 R182 F190 I200 L253I174-F178 VanDerWaalsContact O-CB 3.29Å; I174-F178 WeakPolarHBondContact O-CB 3.36Å; I174-F178 PolarHBondContact O-N 2.82Å; F175-F178 PolarHBondContact O-N 2.85Å; F178-C180 VanDerWaalsContact C-N 3.32Å; F178-C180 PolarHBondContact O-N 3.08Å; F178-W181 HydrophobicContact CD2-CE3 4.28Å; F178-W181 HydrophobicContact CE2-CE3 4.19Å; F178-W181 HydrophobicContact CE2-CZ3 4.13Å; F178-W181 PolarHBondContact O-N 2.66Å; F178-R182 HydrophobicContact CD1-CG 3.98Å; F178-R182 HydrophobicContact CD2-CG 4.37Å; F178-R182 HydrophobicContact CE1-CG 3.57Å; F178-R182 HydrophobicContact CE2-CG 3.98Å; F178-R182 HydrophobicContact CG-CG 4.37Å; F178-R182 HydrophobicContact CZ-CG 3.56Å; F178-R182 WeakPolarHBondContact O-CB 3.32Å; F178-R182 WeakPolarHBondContact O-CG 3.27Å; F178-R182 PolarHBondContact O-N 2.97Å; F178-F190 HydrophobicContact CD2-CE1 4.3Å; F178-F190 HydrophobicContact CD2-CZ 4.3Å; F178-F190 HydrophobicContact CE2-CD1 4.07Å; F178-F190 AromaticContact CE2-CE1 3.78Å; F178-F190 HydrophobicContact CE2-CE1 3.78Å; F178-F190 HydrophobicContact CE2-CZ 4.18Å; F178-I200 HydrophobicContact CB-CG1 4.13Å; F178-L253 HydrophobicContact CD1-CD2 3.92Å; F178-L253 HydrophobicContact CD2-CD2 3.73Å; F178-L253 HydrophobicContact CE1-CD2 3.62Å; F178-L253 HydrophobicContact CE2-CD2 3.44Å; F178-L253 VanDerWaalsContact CE2-CD2 3.44Å; F178-L253 HydrophobicContact CG-CD2 3.96Å; F178-L253 HydrophobicContact CZ-CD2 3.38Å
179D91.1Very high91.5Very high64 Ų6459.4 Ų59.434%0.34230%0.298SS..Hα-helixtrans-65.6-35.7179.2-65.5-16.8000111.7F175 K183 R262F175-D179 WeakPolarHBondContact O-CB 3.48Å; F175-D179 PolarHBondContact O-N 3.38Å; D179-K183 WeakPolarHBondContact O-CG 3.39Å; D179-R262 VanDerWaalsContact CG-NH1 3.29Å; D179-R262 IonicContact OD1-CZ 3.35Å; D179-R262 IonicContact OD1-NH1 3.34Å; D179-R262 PolarHBondContact OD1-NH1 2.84Å; D179-R262 IonicContact OD1-NH2 3.64Å; D179-R262 PolarHBondContact OD1-NH2 2.82Å; D179-R262 IonicContact OD2-CZ 3.88Å; D179-R262 IonicContact OD2-NH1 3.89Å; D179-R262 PolarHBondContact OD2-NH1 3.36Å
180C91.3Very high91.6Very high69 Ų6953.3 Ų53.347%0.46627%0.265SS..Hα-helixtrans-65.1-48.8170.8-73.60000111.4R176 S177 F178 R182 K183R176-C180 PolarHBondContact O-N 3.23Å; R176-C180 VanDerWaalsContact O-N 3.1Å; R176-C180 PolarHBondContact O-SG 2.81Å; R176-C180 VanDerWaalsContact O-SG 3.33Å; S177-C180 PolarHBondContact O-N 3.45Å; F178-C180 VanDerWaalsContact C-N 3.32Å; F178-C180 PolarHBondContact O-N 3.08Å; C180-R182 PolarHBondContact O-N 3.34Å; C180-K183 WeakPolarHBondContact O-CB 3.21Å; C180-K183 PolarHBondContact O-N 3.02Å
181W91.6Very high91.8Very high15 Ų1550.1 Ų50.16%0.05725%0.25CS..Hα-helixtrans-60.8-41.5-179.7176.983000112.6S177 F178 K183 E184 N185 S187 F189 F190 I200S177-W181 WeakPolarHBondContact O-CB 3.45Å; S177-W181 PolarHBondContact O-N 3.37Å; F178-W181 HydrophobicContact CD2-CE3 4.28Å; F178-W181 HydrophobicContact CE2-CE3 4.19Å; F178-W181 HydrophobicContact CE2-CZ3 4.13Å; F178-W181 PolarHBondContact O-N 2.66Å; W181-K183 PolarHBondContact O-N 3.22Å; W181-E184 PolarHBondContact O-N 2.83Å; W181-E184 VanDerWaalsContact O-N 3.12Å; W181-N185 VanDerWaalsContact CD1-ND2 3.31Å; W181-N185 HydrophobicContact CD2-CB 3.84Å; W181-N185 HydrophobicContact CE3-CB 4.36Å; W181-N185 HydrophobicContact CG-CB 4.37Å; W181-N185 HydrophobicContact CH2-CB 4.06Å; W181-N185 HydrophobicContact CZ2-CB 3.49Å; W181-N185 VanDerWaalsContact CZ2-CB 3.49Å; W181-N185 HydrophobicContact CZ3-CB 4.46Å; W181-N185 VanDerWaalsContact NE1-CG 3.27Å; W181-N185 PolarHBondContact NE1-ND2 2.9Å; W181-N185 WeakPolarHBondContact O-CB 3.4Å; W181-N185 PolarHBondContact O-N 3.42Å; W181-N185 PolarHBondContact O-ND2 2.82Å; W181-N185 VanDerWaalsContact O-ND2 3.12Å; W181-S187 WeakPolarHBondContact CH2-O 3.49Å; W181-F189 WeakPolarHBondContact CH2-O 3.4Å; W181-F190 HydrophobicContact CE3-CB 4.45Å; W181-F190 HydrophobicContact CH2-CB 3.71Å; W181-F190 HydrophobicContact CH2-CD1 4.42Å; W181-F190 HydrophobicContact CH2-CG 4.49Å; W181-F190 HydrophobicContact CZ2-CB 3.78Å; W181-F190 HydrophobicContact CZ3-CB 4.06Å; W181-F190 HydrophobicContact CZ3-CD1 4.27Å; W181-F190 HydrophobicContact CZ3-CG 4.46Å; W181-I200 HydrophobicContact CB-CB 4.2Å; W181-I200 HydrophobicContact CB-CG2 3.79Å; W181-I200 HydrophobicContact CD2-CG2 3.78Å; W181-I200 HydrophobicContact CE3-CG2 4.14Å; W181-I200 HydrophobicContact CG-CB 4.45Å; W181-I200 HydrophobicContact CG-CG2 3.6Å
182R88.9Confident91.9Very high24 Ų2450 Ų509%0.09125%0.25CC..Hα-helixtrans-65.6-20.7179.8-75.5-66-74.2118.5-8.9114.4S72 F178 C180 E184 N185S72-R182 VanDerWaalsContact O-CZ 3.3Å; S72-R182 PolarHBondContact O-NE 3.29Å; S72-R182 VanDerWaalsContact O-NE 3.16Å; S72-R182 PolarHBondContact O-NH2 3.36Å; F178-R182 HydrophobicContact CD1-CG 3.98Å; F178-R182 HydrophobicContact CD2-CG 4.37Å; F178-R182 HydrophobicContact CE1-CG 3.57Å; F178-R182 HydrophobicContact CE2-CG 3.98Å; F178-R182 HydrophobicContact CG-CG 4.37Å; F178-R182 HydrophobicContact CZ-CG 3.56Å; F178-R182 WeakPolarHBondContact O-CB 3.32Å; F178-R182 WeakPolarHBondContact O-CG 3.27Å; F178-R182 PolarHBondContact O-N 2.97Å; C180-R182 PolarHBondContact O-N 3.34Å; R182-E184 PolarHBondContact O-N 2.86Å; R182-N185 PolarHBondContact NH1-O 2.8Å
183K86.2Confident92.1Very high173 Ų17347.8 Ų47.875%0.75223%0.232SC*.Hα-helixtrans-66.7-28.6173.8-70.8171.2-175.5176.80112.2D179 C180 W181D179-K183 WeakPolarHBondContact O-CG 3.39Å; C180-K183 WeakPolarHBondContact O-CB 3.21Å; C180-K183 PolarHBondContact O-N 3.02Å; W181-K183 PolarHBondContact O-N 3.22Å
184E84.8Confident92Very high172 Ų17244.4 Ų44.480%0.80422%0.216SC*.Hα-helixtrans-111.7-19.1-174.4-62.4-178177.400113.1W181 R182W181-E184 PolarHBondContact O-N 2.83Å; W181-E184 VanDerWaalsContact O-N 3.12Å; R182-E184 PolarHBondContact O-N 2.86Å
185N86Confident91.7Very high42 Ų4250.1 Ų50.123%0.22524%0.242CC..  trans-121.8132.9-174-66.3-93.5000112.1W181 R182W181-N185 VanDerWaalsContact CD1-ND2 3.31Å; W181-N185 HydrophobicContact CD2-CB 3.84Å; W181-N185 HydrophobicContact CE3-CB 4.36Å; W181-N185 HydrophobicContact CG-CB 4.37Å; W181-N185 HydrophobicContact CH2-CB 4.06Å; W181-N185 HydrophobicContact CZ2-CB 3.49Å; W181-N185 VanDerWaalsContact CZ2-CB 3.49Å; W181-N185 HydrophobicContact CZ3-CB 4.46Å; W181-N185 VanDerWaalsContact NE1-CG 3.27Å; W181-N185 PolarHBondContact NE1-ND2 2.9Å; W181-N185 WeakPolarHBondContact O-CB 3.4Å; W181-N185 PolarHBondContact O-N 3.42Å; W181-N185 PolarHBondContact O-ND2 2.82Å; W181-N185 VanDerWaalsContact O-ND2 3.12Å; R182-N185 PolarHBondContact NH1-O 2.8Å
186T86.3Confident91.3Very high75 Ų7555.4 Ų55.446%0.4628%0.278SS..  trans-99.3-10.3179.453.20000114.4
187S89.8Confident91.2Very high11 Ų1149.8 Ų49.88%0.07727%0.266CS..  trans-61.8142.7-179.31710000110.9W181 F189W181-S187 WeakPolarHBondContact CH2-O 3.49Å; S187-F189 VanDerWaalsContact C-N 3.29Å; S187-F189 PolarHBondContact OG-N 2.85Å; S187-F189 PolarHBondContact OG-O 3.44Å
188P92.7Very high91.1Very high2 Ų249.8 Ų49.81%0.01326%0.264CS..SBendtrans-79.4-13.9167.332.4-33.1000112.4F42 F75 L124 M216 C217F42-P188 HydrophobicContact CE2-CB 4.45Å; F42-P188 HydrophobicContact CZ-CB 3.8Å; F42-P188 HydrophobicContact CZ-CG 4.06Å; F75-P188 HydrophobicContact CD1-CB 3.8Å; F75-P188 HydrophobicContact CE1-CB 4.15Å; F75-P188 HydrophobicContact CG-CB 4.19Å; L124-P188 HydrophobicContact CD1-CG 3.32Å; P188-M216 CarbonylContact O-C 3.5Å; P188-M216 WeakPolarHBondContact O-CA 3.5Å; P188-C217 HydrophobicContact CB-CB 4.03Å; P188-C217 PolarHBondContact O-N 2.85Å; P188-C217 PolarHBondContact O-SG 2.89Å; P188-C217 VanDerWaalsContact O-SG 3.38Å
189F95.2Very high91.2Very high1 Ų152.5 Ų52.50%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-100.4139.1178.7-56.8-61.8000111.9P120 L123 L124 W181 S187 L203 G215 M216 L229 L233P120-F189 HydrophobicContact CB-CB 4.17Å; P120-F189 HydrophobicContact CB-CD2 3.72Å; P120-F189 HydrophobicContact CB-CG 4.44Å; L123-F189 HydrophobicContact CB-CE2 4.46Å; L123-F189 HydrophobicContact CD1-CE2 4.5Å; L124-F189 HydrophobicContact CD1-CE2 4.14Å; L124-F189 HydrophobicContact CD2-CE2 3.43Å; L124-F189 VanDerWaalsContact CD2-CE2 3.43Å; L124-F189 HydrophobicContact CD2-CZ 3.67Å; L124-F189 HydrophobicContact CG-CE2 3.93Å; W181-F189 WeakPolarHBondContact CH2-O 3.4Å; S187-F189 VanDerWaalsContact C-N 3.29Å; S187-F189 PolarHBondContact OG-N 2.85Å; S187-F189 PolarHBondContact OG-O 3.44Å; F189-L203 HydrophobicContact CB-CD2 4.42Å; F189-G215 WeakPolarHBondContact CA-O 3.36Å; F189-M216 HydrophobicContact CD1-CB 3.9Å; F189-M216 HydrophobicContact CE1-CB 4.08Å; F189-L229 HydrophobicContact CE1-CB 4.35Å; F189-L229 HydrophobicContact CZ-CB 4.02Å; F189-L233 HydrophobicContact CB-CD2 4.35Å; F189-L233 HydrophobicContact CD1-CD2 3.5Å; F189-L233 VanDerWaalsContact CD1-CD2 3.5Å; F189-L233 HydrophobicContact CE1-CB 4.26Å; F189-L233 HydrophobicContact CE1-CD2 3.82Å; F189-L233 HydrophobicContact CG-CD2 3.92Å; F189-L233 HydrophobicContact CZ-CB 4.26Å; F189-L233 HydrophobicContact CZ-CD2 4.47Å
190F95.4Very high91.4Very high1 Ų150 Ų500%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-148.9174.4-179.159.1-88.6000111F178 W181 I200 G215 L251 L253F178-F190 HydrophobicContact CD2-CE1 4.3Å; F178-F190 HydrophobicContact CD2-CZ 4.3Å; F178-F190 HydrophobicContact CE2-CD1 4.07Å; F178-F190 AromaticContact CE2-CE1 3.78Å; F178-F190 HydrophobicContact CE2-CE1 3.78Å; F178-F190 HydrophobicContact CE2-CZ 4.18Å; W181-F190 HydrophobicContact CE3-CB 4.45Å; W181-F190 HydrophobicContact CH2-CB 3.71Å; W181-F190 HydrophobicContact CH2-CD1 4.42Å; W181-F190 HydrophobicContact CH2-CG 4.49Å; W181-F190 HydrophobicContact CZ2-CB 3.78Å; W181-F190 HydrophobicContact CZ3-CB 4.06Å; W181-F190 HydrophobicContact CZ3-CD1 4.27Å; W181-F190 HydrophobicContact CZ3-CG 4.46Å; F190-I200 HydrophobicContact CB-CG2 3.98Å; F190-I200 HydrophobicContact CD2-CD1 3.7Å; F190-I200 HydrophobicContact CD2-CG2 3.89Å; F190-I200 HydrophobicContact CE2-CD1 3.71Å; F190-I200 HydrophobicContact CG-CG2 4.16Å; F190-G215 PolarHBondContact N-O 2.96Å; F190-G215 WeakPolarHBondContact O-CA 3.34Å; F190-G215 PolarHBondContact O-N 2.83Å; F190-L251 HydrophobicContact CE2-CD2 4.07Å; F190-L251 HydrophobicContact CZ-CD2 4.21Å; F190-L253 HydrophobicContact CE1-CB 4.42Å; F190-L253 HydrophobicContact CE1-CD2 4.48Å; F190-L253 HydrophobicContact CZ-CB 4.09Å; F190-L253 HydrophobicContact CZ-CD2 4.22Å
191V96.9Very high91.5Very high0 Ų049.5 Ų49.50%026%0.257CS..EExtended strand (participates in β ladder)trans-119.5129.6173.6172.50000108I200 L201 L203 F206 I212 Y213V191-I200 CarbonylContact O-C 3.58Å; V191-I200 WeakPolarHBondContact O-CA 3.32Å; V191-L201 HydrophobicContact CB-CB 4.3Å; V191-L201 PolarHBondContact N-O 2.95Å; V191-L201 PolarHBondContact O-N 3.14Å; V191-L203 HydrophobicContact CG2-CD1 4.04Å; V191-F206 HydrophobicContact CG2-CB 3.83Å; V191-F206 HydrophobicContact CG2-CD2 4.15Å; V191-F206 HydrophobicContact CG2-CG 4.5Å; V191-I212 HydrophobicContact CG1-CD1 4.17Å; V191-I212 HydrophobicContact CG1-CG2 3.79Å; V191-Y213 WeakPolarHBondContact CA-O 3.25Å
192L97Very high91.7Very high0 Ų051 Ų510%027%0.269CS..EExtended strand (participates in β ladder)trans-103.1115.3170.2164.666.1000108.6F166 I174 I198 I200 Y213 L251F166-L192 HydrophobicContact CE1-CD2 4.16Å; F166-L192 HydrophobicContact CE2-CD2 4.18Å; F166-L192 HydrophobicContact CZ-CD2 3.58Å; I174-L192 HydrophobicContact CD1-CD2 3.95Å; I174-L192 HydrophobicContact CG1-CD1 3.96Å; I174-L192 HydrophobicContact CG1-CD2 4.19Å; L192-I198 HydrophobicContact CD1-CG2 4.06Å; L192-I200 HydrophobicContact CB-CD1 3.74Å; L192-I200 HydrophobicContact CD1-CD1 3.73Å; L192-I200 HydrophobicContact CG-CD1 4.28Å; L192-Y213 HydrophobicContact CD2-CD2 4.24Å; L192-Y213 HydrophobicContact CD2-CG 4.36Å; L192-Y213 HydrophobicContact CG-CD2 4.27Å; L192-Y213 PolarHBondContact N-O 2.84Å; L192-Y213 PolarHBondContact O-N 3.43Å; L192-L251 HydrophobicContact CD2-CD2 3.71Å
193K96.2Very high91.9Very high50 Ų5050 Ų5022%0.21727%0.266CS..EExtended strand (participates in β ladder)trans-92.3121.3169.1-177.5168.6-176.5164.40108.4Q195 S197 I198 D199 E207 Y211 I212K193-Q195 WeakPolarHBondContact CE-O 3.38Å; K193-Q195 VanDerWaalsContact CG-O 3.27Å; K193-Q195 WeakPolarHBondContact CG-O 3.48Å; K193-S197 VanDerWaalsContact O-O 3.12Å; K193-I198 VanDerWaalsContact O-CA 3.26Å; K193-I198 WeakPolarHBondContact O-CA 3.34Å; K193-D199 PolarHBondContact N-O 3.47Å; K193-D199 PolarHBondContact O-N 2.97Å; K193-E207 IonicContact NZ-OE1 3.38Å; K193-Y211 HydrophobicContact CD-CE2 4.4Å; K193-Y211 HydrophobicContact CG-CD2 4.05Å; K193-Y211 HydrophobicContact CG-CE2 4.2Å; K193-I212 HydrophobicContact CB-CD1 3.81Å; K193-I212 HydrophobicContact CD-CD1 4.34Å; K193-I212 HydrophobicContact CG-CD1 3.9Å
194S93.5Very high92.3Very high15 Ų1545.2 Ų45.211%0.10525%0.254CS..  trans-95.1-16.8-177.360.50000114.2S197 Y211S194-S197 CarbonylContact C-O 3.59Å; S194-Y211 WeakPolarHBondContact CB-O 3.25Å; S194-Y211 PolarHBondContact N-O 3.23Å; S194-Y211 WeakPolarHBondContact OG-CA 3.47Å; S194-Y211 WeakPolarHBondContact OG-CB 3.17Å; S194-Y211 PolarHBondContact OG-O 3.38Å
195Q89.4Confident92.6Very high122 Ų12238.6 Ų38.657%0.5723%0.232SC*.SBendtrans-145.9147.6-179.5-64.8-176.3-4.700111.2K193 Y211K193-Q195 WeakPolarHBondContact CE-O 3.38Å; K193-Q195 VanDerWaalsContact CG-O 3.27Å; K193-Q195 WeakPolarHBondContact CG-O 3.48Å; Q195-Y211 HydrophobicContact CB-CG 4.27Å
196P84.7Confident93Very high126 Ų12637.6 Ų37.682%0.81823%0.226SC*.SBendcis-74.1-21.4-2.230.9-34.9000113.6
197S90.1Very high93.2Very high59 Ų5937.9 Ų37.941%0.41322%0.222SC..SBendtrans-116.5155.317249.20000110.8K193 S194 D199K193-S197 VanDerWaalsContact O-O 3.12Å; S194-S197 CarbonylContact C-O 3.59Å; S197-D199 WeakPolarHBondContact CB-OD2 3.32Å; S197-D199 PolarHBondContact OG-OD2 3.26Å
198I93.3Very high93.2Very high21 Ų2141.4 Ų41.411%0.10824%0.239CC..  trans-84.7110.3174.1-71.4-179.7000109.1Q170 L173 I174 L192 K193Q170-I198 HydrophobicContact CB-CD1 3.47Å; Q170-I198 VanDerWaalsContact CB-CD1 3.47Å; Q170-I198 HydrophobicContact CG-CD1 3.56Å; L173-I198 HydrophobicContact CB-CB 4.11Å; L173-I198 HydrophobicContact CB-CD1 4.28Å; L173-I198 HydrophobicContact CB-CG2 3.97Å; L173-I198 HydrophobicContact CD1-CD1 4.39Å; I174-I198 HydrophobicContact CB-CG2 4.3Å; I174-I198 HydrophobicContact CG1-CD1 4.4Å; I174-I198 HydrophobicContact CG1-CG2 3.52Å; L192-I198 HydrophobicContact CD1-CG2 4.06Å; K193-I198 VanDerWaalsContact O-CA 3.26Å; K193-I198 WeakPolarHBondContact O-CA 3.34Å
199D94.5Very high93.2Very high61 Ų6142.4 Ų42.433%0.32625%0.248SC..EExtended strand (participates in β ladder)trans-138.6135.4-177.7-66.9-55000111.6K193 S197K193-D199 PolarHBondContact N-O 3.47Å; K193-D199 PolarHBondContact O-N 2.97Å; S197-D199 WeakPolarHBondContact CB-OD2 3.32Å; S197-D199 PolarHBondContact OG-OD2 3.26Å
200I95.3Very high93Very high11 Ų1147.6 Ų47.66%0.05628%0.282CS..EExtended strand (participates in β ladder)trans-93120.1169.5-60.5-69.8000108.5S177 F178 W181 F190 V191 L192S177-I200 PolarHBondContact OG-N 2.82Å; F178-I200 HydrophobicContact CB-CG1 4.13Å; W181-I200 HydrophobicContact CB-CB 4.2Å; W181-I200 HydrophobicContact CB-CG2 3.79Å; W181-I200 HydrophobicContact CD2-CG2 3.78Å; W181-I200 HydrophobicContact CE3-CG2 4.14Å; W181-I200 HydrophobicContact CG-CB 4.45Å; W181-I200 HydrophobicContact CG-CG2 3.6Å; F190-I200 HydrophobicContact CB-CG2 3.98Å; F190-I200 HydrophobicContact CD2-CD1 3.7Å; F190-I200 HydrophobicContact CD2-CG2 3.89Å; F190-I200 HydrophobicContact CE2-CD1 3.71Å; F190-I200 HydrophobicContact CG-CG2 4.16Å; V191-I200 CarbonylContact O-C 3.58Å; V191-I200 WeakPolarHBondContact O-CA 3.32Å; L192-I200 HydrophobicContact CB-CD1 3.74Å; L192-I200 HydrophobicContact CD1-CD1 3.73Å; L192-I200 HydrophobicContact CG-CD1 4.28Å
201L94.6Very high92.9Very high58 Ų5850.9 Ų50.930%0.30430%0.295SS..EExtended strand (participates in β ladder)trans-114.8154.4-178.8-57.7174.4000110.2V191V191-L201 HydrophobicContact CB-CB 4.3Å; V191-L201 PolarHBondContact N-O 2.95Å; V191-L201 PolarHBondContact O-N 3.14Å
202P94.6Very high92.8Very high48 Ų4851.1 Ų51.131%0.31230%0.296SS..  trans-58.1159.1164.9-19.331.6000111.2S204 G205P202-S204 PolarHBondContact O-N 3.33Å; P202-G205 PolarHBondContact O-N 3.34Å
203L94.2Very high92.8Very high2 Ų251.6 Ų51.61%0.0130%0.298CS..G310 helixtrans-59-22.8-179.9-164.367.4000113.2F116 L117 P120 F189 V191 G205 F206 L233F116-L203 HydrophobicContact CD2-CD2 4Å; F116-L203 HydrophobicContact CE2-CD2 4.34Å; L117-L203 HydrophobicContact CD2-CD2 4.36Å; L117-L203 HydrophobicContact CD2-CG 3.98Å; L117-L203 CarbonylContact O-C 3.55Å; P120-L203 HydrophobicContact CB-CD2 4.1Å; P120-L203 HydrophobicContact CG-CB 3.92Å; P120-L203 HydrophobicContact CG-CD2 3.97Å; F189-L203 HydrophobicContact CB-CD2 4.42Å; V191-L203 HydrophobicContact CG2-CD1 4.04Å; L203-G205 PolarHBondContact O-N 3.32Å; L203-F206 WeakPolarHBondContact O-CB 3.42Å; L203-F206 PolarHBondContact O-N 3.03Å; L203-L233 HydrophobicContact CD1-CD1 4.37Å; L203-L233 HydrophobicContact CD2-CD1 3.67Å
204S93.5Very high92.8Very high73 Ų7349.3 Ų49.351%0.5129%0.288SS..G310 helixtrans-61.8-21.1173.1580000114.2L117 P202 F206L117-S204 WeakPolarHBondContact O-CA 3.32Å; L117-S204 PolarHBondContact O-N 2.95Å; P202-S204 PolarHBondContact O-N 3.33Å; S204-F206 VanDerWaalsContact C-N 3.31Å
205G91.3Very high92.9Very high33 Ų3348.6 Ų48.634%0.3428%0.283SS..G310 helixtrans-87.910.2173.900000114.2P202 L203 E207P202-G205 PolarHBondContact O-N 3.34Å; L203-G205 PolarHBondContact O-N 3.32Å; G205-E207 PolarHBondContact O-N 3.25Å
206F93.6Very high93.1Very high21 Ų2142.8 Ų42.89%0.09226%0.256CS..  trans-66.1124.6179.9178.9-105.5000111.7L117 V191 L203 S204 I212 V214 L237 I241 L248L117-F206 HydrophobicContact CD2-CB 4.3Å; V191-F206 HydrophobicContact CG2-CB 3.83Å; V191-F206 HydrophobicContact CG2-CD2 4.15Å; V191-F206 HydrophobicContact CG2-CG 4.5Å; L203-F206 WeakPolarHBondContact O-CB 3.42Å; L203-F206 PolarHBondContact O-N 3.03Å; S204-F206 VanDerWaalsContact C-N 3.31Å; F206-I212 HydrophobicContact CD2-CG2 4.08Å; F206-I212 HydrophobicContact CE2-CG2 4.09Å; F206-V214 HydrophobicContact CD2-CG2 3.82Å; F206-V214 HydrophobicContact CE2-CG2 3.35Å; F206-V214 HydrophobicContact CZ-CG2 4.19Å; F206-L237 HydrophobicContact CD1-CD2 3.82Å; F206-L237 HydrophobicContact CE1-CD2 3.6Å; F206-L237 HydrophobicContact CZ-CD2 4.16Å; F206-I241 HydrophobicContact CD1-CD1 3.74Å; F206-I241 HydrophobicContact CD1-CG2 4.49Å; F206-I241 HydrophobicContact CE1-CD1 4.07Å; F206-I241 HydrophobicContact CE1-CG2 4.07Å; F206-L248 HydrophobicContact CE2-CD1 4.02Å; F206-L248 HydrophobicContact CZ-CD1 3.97Å
207E91.3Very high93.6Very high80 Ų8036.8 Ų36.837%0.37422%0.217SC..  trans-129.6147.8170.666.7-175.8-177.300109.8K193 G205 A209 Y211 I212K193-E207 IonicContact NZ-OE1 3.38Å; G205-E207 PolarHBondContact O-N 3.25Å; E207-A209 HydrophobicContact CG-CB 4.43Å; E207-A209 PolarHBondContact O-N 3.07Å; E207-A209 VanDerWaalsContact O-N 3.13Å; E207-Y211 VanDerWaalsContact OE1-CE2 3.24Å; E207-Y211 WeakPolarHBondContact OE1-CE2 3.33Å; E207-Y211 PolarHBondContact OE1-OH 2.92Å; E207-I212 HydrophobicContact CG-CD1 4Å; E207-I212 HydrophobicContact CG-CG1 3.72Å; E207-I212 WeakPolarHBondContact O-CG2 3.31Å
208L90Very high93.8Very high86 Ų8634 Ų3445%0.4520%0.197SC..  trans-82.493.9178.5-172.269000109.7C246L208-C246 HydrophobicContact CD2-CB 4.25Å
209A92.3Very high93.8Very high23 Ų2333 Ų3319%0.1919%0.192CC..  trans-143.9153.317700000112.5E207 Y211 I212E207-A209 HydrophobicContact CG-CB 4.43Å; E207-A209 PolarHBondContact O-N 3.07Å; E207-A209 VanDerWaalsContact O-N 3.13Å; A209-Y211 HydrophobicContact CB-CD1 4.05Å; A209-Y211 HydrophobicContact CB-CD2 4.32Å; A209-Y211 HydrophobicContact CB-CE1 3.57Å; A209-Y211 HydrophobicContact CB-CE2 3.85Å; A209-Y211 HydrophobicContact CB-CG 4.4Å; A209-Y211 VanDerWaalsContact CB-CZ 3.44Å; A209-Y211 PolarHBondContact O-N 2.96Å; A209-Y211 VanDerWaalsContact O-N 3.13Å; A209-I212 HydrophobicContact CB-CG1 4.01Å; A209-I212 WeakPolarHBondContact O-CB 3.35Å; A209-I212 PolarHBondContact O-N 2.93Å
210P91.3Very high93.7Very high110 Ų11030.2 Ų30.271%0.71418%0.177SC*.THydrogen-bonded Turntrans-62.6-22-176.3-24.334.5000115.5K249P210-K249 WeakPolarHBondContact O-CE 3.34Å; P210-K249 PolarHBondContact O-NZ 3.14Å
211Y92.7Very high93.5Very high70 Ų7031.9 Ų31.928%0.27519%0.188SC..THydrogen-bonded Turntrans-921.1179.256.8-104.1000113.2K193 S194 Q195 E207 A209K193-Y211 HydrophobicContact CD-CE2 4.4Å; K193-Y211 HydrophobicContact CG-CD2 4.05Å; K193-Y211 HydrophobicContact CG-CE2 4.2Å; S194-Y211 WeakPolarHBondContact CB-O 3.25Å; S194-Y211 PolarHBondContact N-O 3.23Å; S194-Y211 WeakPolarHBondContact OG-CA 3.47Å; S194-Y211 WeakPolarHBondContact OG-CB 3.17Å; S194-Y211 PolarHBondContact OG-O 3.38Å; Q195-Y211 HydrophobicContact CB-CG 4.27Å; E207-Y211 VanDerWaalsContact OE1-CE2 3.24Å; E207-Y211 WeakPolarHBondContact OE1-CE2 3.33Å; E207-Y211 PolarHBondContact OE1-OH 2.92Å; A209-Y211 HydrophobicContact CB-CD1 4.05Å; A209-Y211 HydrophobicContact CB-CD2 4.32Å; A209-Y211 HydrophobicContact CB-CE1 3.57Å; A209-Y211 HydrophobicContact CB-CE2 3.85Å; A209-Y211 HydrophobicContact CB-CG 4.4Å; A209-Y211 VanDerWaalsContact CB-CZ 3.44Å; A209-Y211 PolarHBondContact O-N 2.96Å; A209-Y211 VanDerWaalsContact O-N 3.13Å
212I94.9Very high93.4Very high5 Ų531.8 Ų31.83%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-99.1136.5179.1-65.5-65.3000110.3V191 K193 F206 E207 A209V191-I212 HydrophobicContact CG1-CD1 4.17Å; V191-I212 HydrophobicContact CG1-CG2 3.79Å; K193-I212 HydrophobicContact CB-CD1 3.81Å; K193-I212 HydrophobicContact CD-CD1 4.34Å; K193-I212 HydrophobicContact CG-CD1 3.9Å; F206-I212 HydrophobicContact CD2-CG2 4.08Å; F206-I212 HydrophobicContact CE2-CG2 4.09Å; E207-I212 HydrophobicContact CG-CD1 4Å; E207-I212 HydrophobicContact CG-CG1 3.72Å; E207-I212 WeakPolarHBondContact O-CG2 3.31Å; A209-I212 HydrophobicContact CB-CG1 4.01Å; A209-I212 WeakPolarHBondContact O-CB 3.35Å; A209-I212 PolarHBondContact O-N 2.93Å
213Y97Very high93.2Very high10 Ų1034 Ų344%0.03920%0.202CC..EExtended strand (participates in β ladder)trans-118.6136.9171.3-61.1-108.5000109.3E165 F166 V191 L192 K249 V269E165-Y213 HydrophobicContact CG-CE1 4.01Å; E165-Y213 PolarHBondContact OE1-OH 3.23Å; F166-Y213 AromaticContact CE1-CE2 3.97Å; F166-Y213 HydrophobicContact CE1-CE2 3.97Å; F166-Y213 AromaticContact CE1-CZ 3.96Å; F166-Y213 HydrophobicContact CE2-CE1 4.41Å; F166-Y213 HydrophobicContact CZ-CD1 4.17Å; F166-Y213 HydrophobicContact CZ-CD2 4.16Å; F166-Y213 AromaticContact CZ-CE1 3.76Å; F166-Y213 HydrophobicContact CZ-CE1 3.76Å; F166-Y213 AromaticContact CZ-CE2 3.76Å; F166-Y213 HydrophobicContact CZ-CE2 3.76Å; F166-Y213 HydrophobicContact CZ-CG 4.38Å; F166-Y213 AromaticContact CZ-CZ 3.56Å; V191-Y213 WeakPolarHBondContact CA-O 3.25Å; L192-Y213 HydrophobicContact CD2-CD2 4.24Å; L192-Y213 HydrophobicContact CD2-CG 4.36Å; L192-Y213 HydrophobicContact CG-CD2 4.27Å; L192-Y213 PolarHBondContact N-O 2.84Å; L192-Y213 PolarHBondContact O-N 3.43Å; Y213-K249 CarbonylContact C-O 3.55Å; Y213-K249 WeakPolarHBondContact CA-O 3.11Å; Y213-K249 HydrophobicContact CD1-CB 3.38Å; Y213-K249 HydrophobicContact CD1-CD 3.93Å; Y213-K249 HydrophobicContact CD1-CG 4.33Å; Y213-K249 HydrophobicContact CE1-CB 3.63Å; Y213-K249 HydrophobicContact CE1-CD 3.32Å; Y213-K249 HydrophobicContact CE1-CG 4.11Å; Y213-K249 HydrophobicContact CE2-CD 4.16Å; Y213-K249 HydrophobicContact CG-CB 4.03Å; Y213-K249 VanDerWaalsContact CZ-CD 3.44Å; Y213-K249 PolarHBondContact OH-NZ 2.9Å; Y213-V269 HydrophobicContact CD1-CG1 4.05Å; Y213-V269 HydrophobicContact CE1-CG1 3.81Å
214V96.7Very high93Very high1 Ų140.6 Ų40.61%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-84.2114.4167.7178.10000108F206 L233 L237 L248 K249 V250 L251F206-V214 HydrophobicContact CD2-CG2 3.82Å; F206-V214 HydrophobicContact CE2-CG2 3.35Å; F206-V214 HydrophobicContact CZ-CG2 4.19Å; V214-L233 HydrophobicContact CG1-CD2 3.55Å; V214-L233 HydrophobicContact CG1-CG 4.41Å; V214-L237 HydrophobicContact CG2-CD1 4.18Å; V214-L248 HydrophobicContact CG2-CD1 3.88Å; V214-L248 HydrophobicContact CG2-CD2 4.1Å; V214-L248 HydrophobicContact CG2-CG 4.24Å; V214-K249 PolarHBondContact N-O 2.92Å; V214-V250 CarbonylContact O-C 3.58Å; V214-V250 VanDerWaalsContact O-CA 3.23Å; V214-V250 WeakPolarHBondContact O-CA 3.26Å; V214-L251 PolarHBondContact O-N 2.75Å
215G95.3Very high93Very high0 Ų037.7 Ų37.70%021%0.212CC..EExtended strand (participates in β ladder)trans-94.9143.5-178.100000113.1F189 F190 L251F189-G215 WeakPolarHBondContact CA-O 3.36Å; F190-G215 PolarHBondContact N-O 2.96Å; F190-G215 WeakPolarHBondContact O-CA 3.34Å; F190-G215 PolarHBondContact O-N 2.83Å; G215-L251 CarbonylContact C-O 3.48Å; G215-L251 WeakPolarHBondContact CA-O 3.48Å
216M95.1Very high93.2Very high1 Ų136.1 Ų36.11%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-135.9142.5168.367.1178.1-71.300110.9P188 F189 D218 P226 C227 L229 L230 L251 C252 L253P188-M216 CarbonylContact O-C 3.5Å; P188-M216 WeakPolarHBondContact O-CA 3.5Å; F189-M216 HydrophobicContact CD1-CB 3.9Å; F189-M216 HydrophobicContact CE1-CB 4.08Å; M216-D218 HydrophobicContact CE-CB 4.05Å; M216-D218 HydrophobicContact CG-CB 4.26Å; M216-D218 PolarHBondContact O-N 3.23Å; M216-P226 HydrophobicContact CE-CB 4.29Å; M216-P226 HydrophobicContact SD-CB 3.86Å; M216-C227 HydrophobicContact CE-CB 4.46Å; M216-C227 WeakPolarHBondContact CE-SG 3.43Å; M216-L229 HydrophobicContact CE-CB 4.36Å; M216-L230 HydrophobicContact CE-CB 4.16Å; M216-L230 HydrophobicContact SD-CB 3.67Å; M216-L230 HydrophobicContact SD-CD1 3.94Å; M216-L230 HydrophobicContact SD-CD2 4Å; M216-L230 HydrophobicContact SD-CG 4.06Å; M216-L251 PolarHBondContact N-O 3.32Å; M216-C252 HydrophobicContact CG-CB 4.36Å; M216-L253 PolarHBondContact O-N 3.33Å
217C94.2Very high93.2Very high0 Ų035.1 Ų35.10%019%0.192CC..EExtended strand (participates in β ladder)trans-77.998.8166.8-59.70000107.9N44 F75 P188N44-C217 HydrophobicContact CB-CB 4.08Å; F75-C217 HydrophobicContact CD2-CB 4.35Å; F75-C217 HydrophobicContact CE1-CB 3.87Å; F75-C217 HydrophobicContact CE2-CB 3.58Å; F75-C217 HydrophobicContact CZ-CB 3.3Å; F75-C217 WeakPolarHBondContact CZ-SG 3.47Å; P188-C217 HydrophobicContact CB-CB 4.03Å; P188-C217 PolarHBondContact O-N 2.85Å; P188-C217 PolarHBondContact O-SG 2.89Å; P188-C217 VanDerWaalsContact O-SG 3.38Å
218D94.3Very high93.3Very high0 Ų033 Ų330%018%0.18CC..  trans-89.9121.7-167.2-176.423.5000111.8N44 M216 S220 C227 C252 L253 R254N44-D218 WeakPolarHBondContact CA-O 3.4Å; N44-D218 VanDerWaalsContact CB-O 3.26Å; N44-D218 WeakPolarHBondContact CB-O 3.38Å; M216-D218 HydrophobicContact CE-CB 4.05Å; M216-D218 HydrophobicContact CG-CB 4.26Å; M216-D218 PolarHBondContact O-N 3.23Å; D218-S220 VanDerWaalsContact C-N 3.3Å; D218-S220 VanDerWaalsContact OD1-CB 3.24Å; D218-S220 WeakPolarHBondContact OD1-CB 3.39Å; D218-S220 PolarHBondContact OD1-N 2.99Å; D218-S220 WeakPolarHBondContact OD2-CB 3.44Å; D218-C227 WeakPolarHBondContact OD1-CB 3.31Å; D218-C227 PolarHBondContact OD1-N 3.43Å; D218-C227 PolarHBondContact OD1-SG 3.44Å; D218-C252 HydrophobicContact CB-CB 3.83Å; D218-L253 PolarHBondContact N-O 3.23Å; D218-R254 HydrophobicContact CB-CG 4.06Å; D218-R254 IonicContact OD2-CZ 4Å; D218-R254 IonicContact OD2-NE 3.31Å; D218-R254 PolarHBondContact OD2-NE 3.13Å; D218-R254 IonicContact OD2-NH2 3.42Å; D218-R254 PolarHBondContact OD2-NH2 3Å
219S93.4Very high93.4Very high1 Ų129.4 Ų29.41%0.00716%0.162CC..  trans-79.7-12172.3-64.90000113.6F42 T43 H46F42-S219 WeakPolarHBondContact CD2-OG 3.41Å; T43-S219 WeakPolarHBondContact O-CB 3.46Å; T43-S219 PolarHBondContact O-OG 2.9Å; H46-S219 PolarHBondContact CD2-O 2.97Å; H46-S219 VanDerWaalsContact CD2-O 3.31Å
220S93.2Very high93.5Very high1 Ų128.3 Ų28.31%0.00715%0.153CC..  trans-68.3145.5176.5-172.80000110.7I7 D218 D222 S225 R254I7-S220 WeakPolarHBondContact CG1-OG 3.46Å; D218-S220 VanDerWaalsContact C-N 3.3Å; D218-S220 VanDerWaalsContact OD1-CB 3.24Å; D218-S220 WeakPolarHBondContact OD1-CB 3.39Å; D218-S220 PolarHBondContact OD1-N 2.99Å; D218-S220 WeakPolarHBondContact OD2-CB 3.44Å; S220-D222 WeakPolarHBondContact OG-CB 3.42Å; S220-D222 PolarHBondContact OG-N 3Å; S220-S225 WeakPolarHBondContact CB-O 3.49Å; S220-S225 PolarHBondContact OG-O 2.98Å; S220-R254 WeakPolarHBondContact O-CD 3.22Å; S220-R254 WeakPolarHBondContact O-CG 3.46Å; S220-R254 PolarHBondContact O-NE 3.49Å
221V90.5Very high93.6Very high46 Ų4624.8 Ų24.828%0.27913%0.125SC..  trans-110.61.1167.4-60.70000111H46 V50H46-V221 HydrophobicContact CB-CG1 3.85Å; V50-V221 WeakPolarHBondContact O-CG2 3.34Å
222D91.7Very high93.7Very high57 Ų5721.9 Ų21.931%0.30511%0.114SC..  trans-70.9130.9-179.4-177.774.6000110.7I7 S220 Q224 S225 R254I7-D222 HydrophobicContact CD1-CB 4.12Å; I7-D222 HydrophobicContact CG1-CB 3.89Å; S220-D222 WeakPolarHBondContact OG-CB 3.42Å; S220-D222 PolarHBondContact OG-N 3Å; D222-Q224 PolarHBondContact O-N 3.46Å; D222-Q224 VanDerWaalsContact O-N 3.12Å; D222-Q224 PolarHBondContact OD2-N 2.83Å; D222-S225 VanDerWaalsContact OD2-CB 3.26Å; D222-S225 WeakPolarHBondContact OD2-CB 3Å; D222-S225 PolarHBondContact OD2-N 2.55Å; D222-S225 PolarHBondContact OD2-OG 2.81Å; D222-R254 PolarHBondContact O-NH1 3.26Å; D222-R254 PolarHBondContact O-NH2 3.46Å
223P90.3Very high93.6Very high93 Ų9321.7 Ų21.760%0.60411%0.113SC*.SBendtrans-64.2-17.1-176.2-24.334.5000115.5
224Q91.1Very high93.5Very high141 Ų14121.2 Ų21.266%0.65911%0.111SC*.SBendtrans-118.2-25.3-173-62.3-1710.100113.6D222D222-Q224 PolarHBondContact O-N 3.46Å; D222-Q224 VanDerWaalsContact O-N 3.12Å; D222-Q224 PolarHBondContact OD2-N 2.83Å
225S92.9Very high93.4Very high12 Ų1221.5 Ų21.58%0.08411%0.112CC..  trans-120.2129.9-167.2-50.80000111.9S220 D222 R254S220-S225 WeakPolarHBondContact CB-O 3.49Å; S220-S225 PolarHBondContact OG-O 2.98Å; D222-S225 VanDerWaalsContact OD2-CB 3.26Å; D222-S225 WeakPolarHBondContact OD2-CB 3Å; D222-S225 PolarHBondContact OD2-N 2.55Å; D222-S225 PolarHBondContact OD2-OG 2.81Å; S225-R254 PolarHBondContact O-NH2 3.18Å
226P94.9Very high93.3Very high0 Ų021.5 Ų21.50%011%0.112CC..  trans-74.6167.3172.830.2-31.7000111.7L4 Q5 Y6 I7 M216 L230 I270L4-P226 HydrophobicContact CD1-CG 4.17Å; Q5-P226 WeakPolarHBondContact O-CD 3.09Å; Y6-P226 WeakPolarHBondContact CA-O 3.42Å; Y6-P226 HydrophobicContact CD1-CG 4.06Å; Y6-P226 HydrophobicContact CE1-CG 4.34Å; I7-P226 PolarHBondContact N-O 3.09Å; M216-P226 HydrophobicContact CE-CB 4.29Å; M216-P226 HydrophobicContact SD-CB 3.86Å; P226-L230 HydrophobicContact CB-CD2 3.96Å; P226-L230 HydrophobicContact CG-CB 4.47Å; P226-L230 HydrophobicContact CG-CD2 3.54Å; P226-I270 HydrophobicContact CB-CD1 4.38Å; P226-I270 HydrophobicContact CG-CD1 3.94Å
227C93.8Very high93.3Very high0 Ų021.4 Ų21.40%011%0.112CC..BIsolated β-bridgetrans-69.8164.8171.881.80000112I7 P52 M216 D218 L229 L230I7-C227 CarbonylContact O-C 3.57Å; I7-C227 WeakPolarHBondContact O-CA 3.48Å; P52-C227 HydrophobicContact CG-CB 4.32Å; M216-C227 HydrophobicContact CE-CB 4.46Å; M216-C227 WeakPolarHBondContact CE-SG 3.43Å; D218-C227 WeakPolarHBondContact OD1-CB 3.31Å; D218-C227 PolarHBondContact OD1-N 3.43Å; D218-C227 PolarHBondContact OD1-SG 3.44Å; C227-L229 PolarHBondContact O-N 2.99Å; C227-L229 VanDerWaalsContact SG-CG 3.59Å; C227-L230 PolarHBondContact O-N 3.22Å
228W94.2Very high93.3Very high36 Ų3621.5 Ų21.514%0.13611%0.112CC..THydrogen-bonded Turntrans-53.2-27.5-175.5-165.1-102.8000115.3I7 P8 F9 F145 A147 L230 R231 V285I7-W228 PolarHBondContact O-N 3.49Å; P8-W228 HydrophobicContact CB-CE3 4.3Å; F9-W228 HydrophobicContact CD2-CB 4.21Å; F9-W228 HydrophobicContact CE2-CB 4.26Å; F145-W228 PolarHBondContact O-NE1 2.69Å; A147-W228 HydrophobicContact CB-CZ2 3.78Å; W228-L230 PolarHBondContact O-N 3.19Å; W228-L230 VanDerWaalsContact O-N 3.16Å; W228-R231 WeakPolarHBondContact O-CG 3.33Å; W228-R231 PolarHBondContact O-N 3.12Å; W228-V285 HydrophobicContact CH2-CG2 4.19Å; W228-V285 HydrophobicContact CZ2-CG2 4.13Å
229L91.5Very high93.2Very high11 Ų1122 Ų226%0.05812%0.116CC..THydrogen-bonded Turntrans-57.5-33-174.3-59.1173.5000113.2F9 F42 I77 L124 F189 M216 C227 R231F9-L229 HydrophobicContact CE2-CD1 4.44Å; F9-L229 HydrophobicContact CE2-CD2 3.5Å; F9-L229 HydrophobicContact CE2-CG 3.69Å; F9-L229 HydrophobicContact CZ-CD1 3.89Å; F9-L229 HydrophobicContact CZ-CD2 3.73Å; F9-L229 HydrophobicContact CZ-CG 3.62Å; F42-L229 HydrophobicContact CD2-CD1 4.45Å; F42-L229 HydrophobicContact CE1-CD1 3.93Å; F42-L229 HydrophobicContact CE2-CD1 3.64Å; F42-L229 HydrophobicContact CZ-CD1 3.32Å; I77-L229 HydrophobicContact CD1-CD2 3.79Å; L124-L229 HydrophobicContact CD2-CB 4.2Å; L124-L229 HydrophobicContact CD2-CD2 3.56Å; L124-L229 HydrophobicContact CD2-CG 4.35Å; F189-L229 HydrophobicContact CE1-CB 4.35Å; F189-L229 HydrophobicContact CZ-CB 4.02Å; M216-L229 HydrophobicContact CE-CB 4.36Å; C227-L229 PolarHBondContact O-N 2.99Å; C227-L229 VanDerWaalsContact SG-CG 3.59Å; L229-R231 PolarHBondContact O-N 3.37Å
230L94.2Very high93.1Very high0 Ų022.6 Ų22.60%012%0.119CC..Hα-helixtrans-64.3-28.1-174.8-173.660000113.2L4 Y6 M216 P226 C227 W228 N232 L233 L234 V250L4-L230 HydrophobicContact CD2-CD2 4.1Å; Y6-L230 HydrophobicContact CD1-CB 4.32Å; Y6-L230 HydrophobicContact CE1-CB 4.03Å; Y6-L230 HydrophobicContact CE1-CD2 4.23Å; Y6-L230 HydrophobicContact CE1-CG 4.27Å; M216-L230 HydrophobicContact CE-CB 4.16Å; M216-L230 HydrophobicContact SD-CB 3.67Å; M216-L230 HydrophobicContact SD-CD1 3.94Å; M216-L230 HydrophobicContact SD-CD2 4Å; M216-L230 HydrophobicContact SD-CG 4.06Å; P226-L230 HydrophobicContact CB-CD2 3.96Å; P226-L230 HydrophobicContact CG-CB 4.47Å; P226-L230 HydrophobicContact CG-CD2 3.54Å; C227-L230 PolarHBondContact O-N 3.22Å; W228-L230 PolarHBondContact O-N 3.19Å; W228-L230 VanDerWaalsContact O-N 3.16Å; L230-N232 VanDerWaalsContact C-N 3.34Å; L230-N232 PolarHBondContact O-N 3.16Å; L230-L233 HydrophobicContact CD1-CD2 4.43Å; L230-L233 PolarHBondContact O-N 3.33Å; L230-L234 HydrophobicContact CD1-CD1 4.25Å; L230-L234 HydrophobicContact CD1-CD2 4.16Å; L230-L234 HydrophobicContact CD1-CG 3.9Å; L230-L234 HydrophobicContact CD2-CD1 3.88Å; L230-L234 HydrophobicContact CD2-CG 4.45Å; L230-L234 HydrophobicContact CG-CD1 3.71Å; L230-L234 HydrophobicContact CG-CG 3.81Å; L230-L234 PolarHBondContact O-N 2.84Å; L230-V250 HydrophobicContact CD1-CG1 3.91Å; L230-V250 HydrophobicContact CD2-CG1 3.86Å
231R93.8Very high93.1Very high36 Ų3624.8 Ų24.814%0.13613%0.131CC..Hα-helixtrans-55.3-48.2-173.2-66.4-163.882.2171.26.8112.6Y6 A147 W228 L229 Y235Y6-R231 HydrophobicContact CD1-CG 3.4Å; Y6-R231 HydrophobicContact CD2-CG 3.58Å; Y6-R231 HydrophobicContact CE1-CB 4.39Å; Y6-R231 HydrophobicContact CE1-CG 3.48Å; Y6-R231 VanDerWaalsContact CE1-CG 3.48Å; Y6-R231 HydrophobicContact CE2-CG 3.68Å; Y6-R231 HydrophobicContact CG-CG 3.44Å; Y6-R231 VanDerWaalsContact CG-CG 3.44Å; A147-R231 HydrophobicContact CB-CB 4.12Å; W228-R231 WeakPolarHBondContact O-CG 3.33Å; W228-R231 PolarHBondContact O-N 3.12Å; L229-R231 PolarHBondContact O-N 3.37Å; R231-Y235 WeakPolarHBondContact O-CB 3.4Å; R231-Y235 PolarHBondContact O-N 3.21Å; R231-Y235 VanDerWaalsContact O-N 3.08Å
232N94.2Very high93.2Very high9 Ų922.7 Ų22.75%0.04812%0.118CC..Hα-helixtrans-70.3-35.9-176.3-74.6-17.3000111.8M107 L123 P146 A147 V148 L230 A236M107-N232 HydrophobicContact CE-CB 3.87Å; L123-N232 HydrophobicContact CB-CB 4.09Å; L123-N232 HydrophobicContact CD2-CB 4.26Å; L123-N232 PolarHBondContact O-ND2 3.36Å; P146-N232 PolarHBondContact O-ND2 2.93Å; A147-N232 VanDerWaalsContact CA-OD1 3.25Å; A147-N232 WeakPolarHBondContact CA-OD1 3.03Å; V148-N232 PolarHBondContact N-OD1 2.94Å; L230-N232 VanDerWaalsContact C-N 3.34Å; L230-N232 PolarHBondContact O-N 3.16Å; N232-A236 WeakPolarHBondContact O-CB 3.1Å; N232-A236 PolarHBondContact O-N 2.76Å
233L94.7Very high93.1Very high0 Ų029.2 Ų29.20%014%0.138CC..Hα-helixtrans-65.5-47.717617859000111.7F116 L123 F189 L203 V214 L230 Y235 A236 L237F116-L233 HydrophobicContact CD2-CD1 4.03Å; F116-L233 HydrophobicContact CE2-CD1 3.96Å; L123-L233 HydrophobicContact CD1-CB 4.05Å; L123-L233 HydrophobicContact CD1-CD1 3.89Å; F189-L233 HydrophobicContact CB-CD2 4.35Å; F189-L233 HydrophobicContact CD1-CD2 3.5Å; F189-L233 VanDerWaalsContact CD1-CD2 3.5Å; F189-L233 HydrophobicContact CE1-CB 4.26Å; F189-L233 HydrophobicContact CE1-CD2 3.82Å; F189-L233 HydrophobicContact CG-CD2 3.92Å; F189-L233 HydrophobicContact CZ-CB 4.26Å; F189-L233 HydrophobicContact CZ-CD2 4.47Å; L203-L233 HydrophobicContact CD1-CD1 4.37Å; L203-L233 HydrophobicContact CD2-CD1 3.67Å; V214-L233 HydrophobicContact CG1-CD2 3.55Å; V214-L233 HydrophobicContact CG1-CG 4.41Å; L230-L233 HydrophobicContact CD1-CD2 4.43Å; L230-L233 PolarHBondContact O-N 3.33Å; L233-Y235 VanDerWaalsContact C-N 3.32Å; L233-Y235 PolarHBondContact O-N 3.1Å; L233-A236 PolarHBondContact O-N 2.74Å; L233-L237 HydrophobicContact CD1-CD1 4.25Å; L233-L237 HydrophobicContact CD1-CG 4.22Å; L233-L237 HydrophobicContact CG-CD1 4.17Å; L233-L237 WeakPolarHBondContact O-CG 3.35Å; L233-L237 PolarHBondContact O-N 3.47Å
234L94.5Very high93.2Very high1 Ų129.5 Ų29.51%0.00514%0.139CC..Hα-helixtrans-63.8-39178.7-65.8-177.7000111.9L4 P154 L230 L237 S238 L248 V250 I272 I274L4-L234 HydrophobicContact CD2-CD1 3.74Å; P154-L234 HydrophobicContact CB-CD1 4.47Å; P154-L234 HydrophobicContact CG-CB 4.38Å; P154-L234 HydrophobicContact CG-CD1 3.96Å; L230-L234 HydrophobicContact CD1-CD1 4.25Å; L230-L234 HydrophobicContact CD1-CD2 4.16Å; L230-L234 HydrophobicContact CD1-CG 3.9Å; L230-L234 HydrophobicContact CD2-CD1 3.88Å; L230-L234 HydrophobicContact CD2-CG 4.45Å; L230-L234 HydrophobicContact CG-CD1 3.71Å; L230-L234 HydrophobicContact CG-CG 3.81Å; L230-L234 PolarHBondContact O-N 2.84Å; L234-L237 HydrophobicContact CD2-CD1 4.45Å; L234-L237 PolarHBondContact O-N 3.47Å; L234-S238 VanDerWaalsContact O-CB 3.26Å; L234-S238 WeakPolarHBondContact O-CB 3.23Å; L234-S238 PolarHBondContact O-N 2.6Å; L234-L248 HydrophobicContact CD2-CD2 4Å; L234-V250 HydrophobicContact CD2-CG2 4.34Å; L234-I272 HydrophobicContact CD1-CD1 3.83Å; L234-I272 HydrophobicContact CD2-CD1 3.78Å; L234-I272 HydrophobicContact CG-CD1 4.47Å; L234-I274 HydrophobicContact CB-CD1 4.34Å; L234-I274 HydrophobicContact CD2-CD1 4.35Å
235Y94.1Very high93.3Very high6 Ų627.7 Ų27.72%0.02413%0.13CC..Hα-helixtrans-62.4-45.8173.2-179.9-96.1000112.2M107 I111 V148 H150 R231 L233 L237 S238 S239 T277 N278 F281M107-Y235 HydrophobicContact CE-CD1 4.07Å; M107-Y235 HydrophobicContact CG-CD1 4.34Å; M107-Y235 HydrophobicContact CG-CE1 4.14Å; M107-Y235 HydrophobicContact SD-CD1 3.92Å; M107-Y235 HydrophobicContact SD-CE1 4.28Å; I111-Y235 HydrophobicContact CD1-CD1 4.1Å; I111-Y235 HydrophobicContact CD1-CE1 3.65Å; V148-Y235 HydrophobicContact CB-CD1 4.06Å; V148-Y235 HydrophobicContact CB-CD2 4.1Å; V148-Y235 HydrophobicContact CB-CE1 4.28Å; V148-Y235 HydrophobicContact CB-CE2 4.31Å; V148-Y235 HydrophobicContact CB-CG 3.98Å; V148-Y235 HydrophobicContact CG1-CD1 4.24Å; V148-Y235 HydrophobicContact CG1-CD2 3.78Å; V148-Y235 HydrophobicContact CG1-CE1 4.04Å; V148-Y235 HydrophobicContact CG1-CE2 3.54Å; V148-Y235 HydrophobicContact CG1-CG 4.13Å; V148-Y235 HydrophobicContact CG2-CD1 3.81Å; V148-Y235 HydrophobicContact CG2-CE1 3.91Å; V148-Y235 HydrophobicContact CG2-CG 4.24Å; H150-Y235 HydrophobicContact CB-CD2 4.39Å; H150-Y235 AromaticContact CD2-CD2 3.85Å; H150-Y235 AromaticContact CG-CD2 3.89Å; R231-Y235 WeakPolarHBondContact O-CB 3.4Å; R231-Y235 PolarHBondContact O-N 3.21Å; R231-Y235 VanDerWaalsContact O-N 3.08Å; L233-Y235 VanDerWaalsContact C-N 3.32Å; L233-Y235 PolarHBondContact O-N 3.1Å; Y235-L237 VanDerWaalsContact C-N 3.35Å; Y235-L237 PolarHBondContact O-N 3.08Å; Y235-S238 PolarHBondContact O-N 2.97Å; Y235-S239 WeakPolarHBondContact O-CB 3.48Å; Y235-S239 PolarHBondContact O-N 3.08Å; Y235-S239 PolarHBondContact O-OG 2.87Å; Y235-T277 HydrophobicContact CD2-CG2 4.14Å; Y235-T277 HydrophobicContact CE2-CG2 3.78Å; Y235-N278 PolarHBondContact OH-O 3.37Å; Y235-F281 AromaticContact CE1-CD1 3.94Å; Y235-F281 HydrophobicContact CE1-CD1 3.94Å; Y235-F281 WeakPolarHBondContact OH-CD1 3.47Å
236A93.9Very high93.3Very high0 Ų028.1 Ų28.10%013%0.133CC..Hα-helixtrans-60.2-44.8177.900000111.2I111 F116 L123 N232 L233 S239 T240I111-A236 HydrophobicContact CG1-CB 4.44Å; F116-A236 HydrophobicContact CD1-CB 3.97Å; F116-A236 HydrophobicContact CD2-CB 4.04Å; F116-A236 HydrophobicContact CE1-CB 3.96Å; F116-A236 HydrophobicContact CE2-CB 4.02Å; F116-A236 HydrophobicContact CG-CB 4.01Å; F116-A236 HydrophobicContact CZ-CB 3.98Å; L123-A236 HydrophobicContact CD2-CB 4.09Å; N232-A236 WeakPolarHBondContact O-CB 3.1Å; N232-A236 PolarHBondContact O-N 2.76Å; L233-A236 PolarHBondContact O-N 2.74Å; A236-S239 PolarHBondContact O-N 2.89Å; A236-S239 PolarHBondContact O-OG 2.83Å; A236-T240 WeakPolarHBondContact O-CB 3.41Å; A236-T240 PolarHBondContact O-N 3.01Å; A236-T240 PolarHBondContact O-OG1 2.76Å
237L94.1Very high93.3Very high0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-61.9-46.2175.4-69172.7000112.5F116 F206 V214 L233 L234 Y235 S239 T240 I241 I242 L248F116-L237 HydrophobicContact CE2-CD2 3.91Å; F116-L237 HydrophobicContact CE2-CG 4.3Å; F116-L237 HydrophobicContact CZ-CD2 3.96Å; F116-L237 HydrophobicContact CZ-CG 4.49Å; F206-L237 HydrophobicContact CD1-CD2 3.82Å; F206-L237 HydrophobicContact CE1-CD2 3.6Å; F206-L237 HydrophobicContact CZ-CD2 4.16Å; V214-L237 HydrophobicContact CG2-CD1 4.18Å; L233-L237 HydrophobicContact CD1-CD1 4.25Å; L233-L237 HydrophobicContact CD1-CG 4.22Å; L233-L237 HydrophobicContact CG-CD1 4.17Å; L233-L237 WeakPolarHBondContact O-CG 3.35Å; L233-L237 PolarHBondContact O-N 3.47Å; L234-L237 HydrophobicContact CD2-CD1 4.45Å; L234-L237 PolarHBondContact O-N 3.47Å; Y235-L237 VanDerWaalsContact C-N 3.35Å; Y235-L237 PolarHBondContact O-N 3.08Å; L237-S239 VanDerWaalsContact C-N 3.32Å; L237-S239 PolarHBondContact O-N 3.23Å; L237-T240 PolarHBondContact O-N 2.94Å; L237-I241 HydrophobicContact CD2-CD1 3.75Å; L237-I241 PolarHBondContact O-N 2.93Å; L237-I242 HydrophobicContact CB-CD1 4.04Å; L237-I242 PolarHBondContact O-N 2.95Å; L237-L248 HydrophobicContact CD1-CD2 4.14Å
238S93.5Very high93.4Very high1 Ų132.2 Ų32.21%0.00716%0.161CC..Hα-helixtrans-63.6-35.5-179.6172.40000112.7L234 Y235 Q275 P276 T277L234-S238 VanDerWaalsContact O-CB 3.26Å; L234-S238 WeakPolarHBondContact O-CB 3.23Å; L234-S238 PolarHBondContact O-N 2.6Å; Y235-S238 PolarHBondContact O-N 2.97Å; S238-Q275 PolarHBondContact OG-O 2.84Å; S238-P276 WeakPolarHBondContact O-CA 3.32Å; S238-T277 PolarHBondContact O-N 3.16Å; S238-T277 WeakPolarHBondContact OG-CB 3.3Å; S238-T277 WeakPolarHBondContact OG-CG2 3.33Å; S238-T277 PolarHBondContact OG-N 3.08Å
239S92.2Very high93.5Very high12 Ų1232.6 Ų32.68%0.08416%0.164CC..Hα-helixtrans-86.2-13.8-176.856.30000114.4I111 Y235 A236 L237 T277I111-S239 WeakPolarHBondContact CD1-OG 3.43Å; Y235-S239 WeakPolarHBondContact O-CB 3.48Å; Y235-S239 PolarHBondContact O-N 3.08Å; Y235-S239 PolarHBondContact O-OG 2.87Å; A236-S239 PolarHBondContact O-N 2.89Å; A236-S239 PolarHBondContact O-OG 2.83Å; L237-S239 VanDerWaalsContact C-N 3.32Å; L237-S239 PolarHBondContact O-N 3.23Å; S239-T277 WeakPolarHBondContact CA-O 3.4Å
240T92.4Very high93.7Very high12 Ų1232.1 Ų32.17%0.07416%0.161CC..Hα-helixtrans-123.9-56.8-172.5580000114.6I111 N114 F116 A236 L237 R243I111-T240 HydrophobicContact CB-CG2 4.33Å; I111-T240 HydrophobicContact CG1-CG2 4.42Å; I111-T240 HydrophobicContact CG2-CG2 3.57Å; N114-T240 WeakPolarHBondContact OD1-CB 3.49Å; N114-T240 WeakPolarHBondContact OD1-CG2 3.32Å; F116-T240 HydrophobicContact CE1-CG2 4.46Å; A236-T240 WeakPolarHBondContact O-CB 3.41Å; A236-T240 PolarHBondContact O-N 3.01Å; A236-T240 PolarHBondContact O-OG1 2.76Å; L237-T240 PolarHBondContact O-N 2.94Å; T240-R243 VanDerWaalsContact O-CZ 3.24Å; T240-R243 PolarHBondContact O-NH2 2.96Å; T240-R243 VanDerWaalsContact O-NH2 3.08Å
241I92.2Very high93.9Very high47 Ų4732.1 Ų32.124%0.24116%0.161CC..THydrogen-bonded Turntrans-93.5-42.1-168.4-59.1177.2000110.9F116 L117 F206 L237 R243F116-I241 HydrophobicContact CZ-CD1 4.07Å; L117-I241 HydrophobicContact CD1-CD1 3.86Å; L117-I241 HydrophobicContact CD2-CD1 3.95Å; L117-I241 HydrophobicContact CG-CD1 4.34Å; F206-I241 HydrophobicContact CD1-CD1 3.74Å; F206-I241 HydrophobicContact CD1-CG2 4.49Å; F206-I241 HydrophobicContact CE1-CD1 4.07Å; F206-I241 HydrophobicContact CE1-CG2 4.07Å; L237-I241 HydrophobicContact CD2-CD1 3.75Å; L237-I241 PolarHBondContact O-N 2.93Å; I241-R243 PolarHBondContact O-N 2.72Å
242I92.3Very high94Very high3 Ų330.4 Ų30.42%0.01515%0.154CC..  trans-73.9120.6-176.6-64.8163.8000108.7L237 T244 I274 P276L237-I242 HydrophobicContact CB-CD1 4.04Å; L237-I242 PolarHBondContact O-N 2.95Å; I242-T244 VanDerWaalsContact CG2-O 3.25Å; I242-T244 WeakPolarHBondContact CG2-O 3.44Å; I242-I274 HydrophobicContact CD1-CB 4.19Å; I242-I274 HydrophobicContact CD1-CD1 3.53Å; I242-I274 HydrophobicContact CD1-CG1 3.71Å; I242-I274 HydrophobicContact CD1-CG2 3.47Å; I242-I274 VanDerWaalsContact CD1-CG2 3.47Å; I242-I274 HydrophobicContact CG1-CG2 4.48Å; I242-P276 WeakPolarHBondContact O-CB 3.24Å
243R91.2Very high94Very high194 Ų19430 Ų3073%0.73215%0.152SC*.  trans-107.7-24.9-178.8-59.8-57.1-178.3177.3-3.1113.6T240 I241T240-R243 VanDerWaalsContact O-CZ 3.24Å; T240-R243 PolarHBondContact O-NH2 2.96Å; T240-R243 VanDerWaalsContact O-NH2 3.08Å; I241-R243 PolarHBondContact O-N 2.72Å
244T92.4Very high93.9Very high99 Ų9930.7 Ų30.761%0.60716%0.155SC*.SBendtrans-136.3158.8177.755.70000108.6I242 C246I242-T244 VanDerWaalsContact CG2-O 3.25Å; I242-T244 WeakPolarHBondContact CG2-O 3.44Å; T244-C246 PolarHBondContact O-N 2.87Å
245E92.6Very high93.7Very high103 Ų10330.8 Ų30.848%0.48116%0.155SC..  trans-54.1128.6172.5-176.5167.2-147.100110.6N273 I274 Q275E245-N273 WeakPolarHBondContact CG-OD1 3.44Å; E245-N273 PolarHBondContact OE1-ND2 2.83Å; E245-I274 WeakPolarHBondContact CA-O 3.14Å; E245-Q275 HydrophobicContact CB-CG 4.09Å; E245-Q275 VanDerWaalsContact CD-NE2 3.34Å; E245-Q275 HydrophobicContact CG-CG 3.83Å; E245-Q275 PolarHBondContact OE1-NE2 2.78Å
246C93.3Very high93.4Very high20 Ų2034.5 Ų34.514%0.13517%0.169CC..EExtended strand (participates in β ladder)trans-148.9157.4-176.668.30000112.3L208 T244 N273 I274L208-C246 HydrophobicContact CD2-CB 4.25Å; T244-C246 PolarHBondContact O-N 2.87Å; C246-N273 PolarHBondContact O-OD1 3.3Å; C246-N273 VanDerWaalsContact O-OD1 3.14Å; C246-I274 PolarHBondContact N-O 2.81Å; C246-I274 WeakPolarHBondContact O-CG2 3.17Å; C246-I274 PolarHBondContact O-N 2.86Å
247S94.2Very high93.1Very high80 Ų8039.4 Ų39.456%0.55919%0.191SC*.EExtended strand (participates in β ladder)trans-84.3126.4172.3-170.40000109.7I272S247-I272 WeakPolarHBondContact CA-O 2.93Å
248L95.3Very high92.6Very high6 Ų640.4 Ų40.43%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-118.3140.6174.3-171.966.7000109.4F206 V214 L234 L237 I272 I274F206-L248 HydrophobicContact CE2-CD1 4.02Å; F206-L248 HydrophobicContact CZ-CD1 3.97Å; V214-L248 HydrophobicContact CG2-CD1 3.88Å; V214-L248 HydrophobicContact CG2-CD2 4.1Å; V214-L248 HydrophobicContact CG2-CG 4.24Å; L234-L248 HydrophobicContact CD2-CD2 4Å; L237-L248 HydrophobicContact CD1-CD2 4.14Å; L248-I272 HydrophobicContact CB-CD1 4.37Å; L248-I272 HydrophobicContact CB-CG1 3.91Å; L248-I272 HydrophobicContact CD2-CD1 4.28Å; L248-I272 PolarHBondContact N-O 3.2Å; L248-I272 WeakPolarHBondContact O-CG1 3.23Å; L248-I272 PolarHBondContact O-N 2.83Å; L248-I274 HydrophobicContact CB-CG2 3.95Å
249K96.4Very high92.2Very high45 Ų4546.3 Ų46.320%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-106.3128.9175.3-55.9-179.1-175.4173.50109.3E165 P210 Y213 V214E165-K249 IonicContact OE1-NZ 2.81Å; P210-K249 WeakPolarHBondContact O-CE 3.34Å; P210-K249 PolarHBondContact O-NZ 3.14Å; Y213-K249 CarbonylContact C-O 3.55Å; Y213-K249 WeakPolarHBondContact CA-O 3.11Å; Y213-K249 HydrophobicContact CD1-CB 3.38Å; Y213-K249 HydrophobicContact CD1-CD 3.93Å; Y213-K249 HydrophobicContact CD1-CG 4.33Å; Y213-K249 HydrophobicContact CE1-CB 3.63Å; Y213-K249 HydrophobicContact CE1-CD 3.32Å; Y213-K249 HydrophobicContact CE1-CG 4.11Å; Y213-K249 HydrophobicContact CE2-CD 4.16Å; Y213-K249 HydrophobicContact CG-CB 4.03Å; Y213-K249 VanDerWaalsContact CZ-CD 3.44Å; Y213-K249 PolarHBondContact OH-NZ 2.9Å; V214-K249 PolarHBondContact N-O 2.92Å
250V97.1Very high91.8Very high0 Ų049.7 Ų49.70%028%0.277CS..EExtended strand (participates in β ladder)trans-114.4122.9179.7-176.30000109.4V214 L230 L234 V269 I270 I272V214-V250 CarbonylContact O-C 3.58Å; V214-V250 VanDerWaalsContact O-CA 3.23Å; V214-V250 WeakPolarHBondContact O-CA 3.26Å; L230-V250 HydrophobicContact CD1-CG1 3.91Å; L230-V250 HydrophobicContact CD2-CG1 3.86Å; L234-V250 HydrophobicContact CD2-CG2 4.34Å; V250-V269 CarbonylContact O-C 3.52Å; V250-V269 WeakPolarHBondContact O-CA 3.37Å; V250-I270 HydrophobicContact CB-CB 4.46Å; V250-I270 PolarHBondContact N-O 3.32Å; V250-I270 PolarHBondContact O-N 2.9Å; V250-I272 HydrophobicContact CG2-CD1 3.85Å; V250-I272 HydrophobicContact CG2-CG1 4.33Å
251L97Very high91.5Very high0 Ų054.7 Ų54.70%030%0.3CS..EExtended strand (participates in β ladder)trans-96.6112.2173.6173.161.6000109.7I162 F190 L192 V214 G215 M216 V269I162-L251 HydrophobicContact CD1-CD1 3.86Å; I162-L251 HydrophobicContact CG1-CD1 4.01Å; F190-L251 HydrophobicContact CE2-CD2 4.07Å; F190-L251 HydrophobicContact CZ-CD2 4.21Å; L192-L251 HydrophobicContact CD2-CD2 3.71Å; V214-L251 PolarHBondContact O-N 2.75Å; G215-L251 CarbonylContact C-O 3.48Å; G215-L251 WeakPolarHBondContact CA-O 3.48Å; M216-L251 PolarHBondContact N-O 3.32Å; L251-V269 HydrophobicContact CD1-CG2 3.84Å
252C96.6Very high91.4Very high0 Ų054.9 Ų54.90%030%0.298CS..EExtended strand (participates in β ladder)trans-95.795.1175.1-580000109M216 D218 S267 I268M216-C252 HydrophobicContact CG-CB 4.36Å; D218-C252 HydrophobicContact CB-CB 3.83Å; C252-S267 WeakPolarHBondContact O-CA 3.48Å; C252-S267 WeakPolarHBondContact O-CB 3.36Å; C252-I268 HydrophobicContact CB-CD1 4.46Å; C252-I268 HydrophobicContact CB-CG1 3.65Å; C252-I268 PolarHBondContact N-O 2.82Å; C252-I268 PolarHBondContact O-N 2.63Å
253L94.4Very high91.2Very high1 Ų157.8 Ų57.81%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-86.8114.9-174.1-173.472.7000111.7N44 I162 F175 F178 F190 M216 D218N44-L253 PolarHBondContact ND2-O 3.07Å; N44-L253 VanDerWaalsContact ND2-O 3.12Å; I162-L253 HydrophobicContact CD1-CD1 4.4Å; F175-L253 HydrophobicContact CE1-CD1 3.63Å; F175-L253 HydrophobicContact CZ-CD1 3.97Å; F178-L253 HydrophobicContact CD1-CD2 3.92Å; F178-L253 HydrophobicContact CD2-CD2 3.73Å; F178-L253 HydrophobicContact CE1-CD2 3.62Å; F178-L253 HydrophobicContact CE2-CD2 3.44Å; F178-L253 VanDerWaalsContact CE2-CD2 3.44Å; F178-L253 HydrophobicContact CG-CD2 3.96Å; F178-L253 HydrophobicContact CZ-CD2 3.38Å; F190-L253 HydrophobicContact CE1-CB 4.42Å; F190-L253 HydrophobicContact CE1-CD2 4.48Å; F190-L253 HydrophobicContact CZ-CB 4.09Å; F190-L253 HydrophobicContact CZ-CD2 4.22Å; M216-L253 PolarHBondContact O-N 3.33Å; D218-L253 PolarHBondContact N-O 3.23Å
254R93.1Very high91.1Very high15 Ų1550.2 Ų50.26%0.05728%0.28CS..  trans-112.4109.7178.3-62.1165.4-169.2-175.8-13.5107.6N44 D218 S220 D222 S225 W264 H266 S267N44-R254 CarbonylContact O-C 3.51Å; D218-R254 HydrophobicContact CB-CG 4.06Å; D218-R254 IonicContact OD2-CZ 4Å; D218-R254 IonicContact OD2-NE 3.31Å; D218-R254 PolarHBondContact OD2-NE 3.13Å; D218-R254 IonicContact OD2-NH2 3.42Å; D218-R254 PolarHBondContact OD2-NH2 3Å; S220-R254 WeakPolarHBondContact O-CD 3.22Å; S220-R254 WeakPolarHBondContact O-CG 3.46Å; S220-R254 PolarHBondContact O-NE 3.49Å; D222-R254 PolarHBondContact O-NH1 3.26Å; D222-R254 PolarHBondContact O-NH2 3.46Å; S225-R254 PolarHBondContact O-NH2 3.18Å; R254-W264 WeakPolarHBondContact O-CA 3.4Å; R254-H266 VanDerWaalsContact CD-O 3.26Å; R254-H266 WeakPolarHBondContact CD-O 3.26Å; R254-H266 PolarHBondContact NH1-O 2.8Å; R254-H266 VanDerWaalsContact NH1-O 3.08Å; R254-S267 PolarHBondContact N-OG 2.9Å; R254-S267 PolarHBondContact O-OG 3.28Å
255D89.9Confident90.9Very high3 Ų348.9 Ų48.92%0.01627%0.267CS..  trans-12498.4-165.9-171.218.2000110.3N44 S45 R262N44-D255 PolarHBondContact O-N 2.91Å; S45-D255 VanDerWaalsContact CA-O 3.27Å; S45-D255 WeakPolarHBondContact CA-O 3.36Å; S45-D255 WeakPolarHBondContact CB-O 3.26Å; D255-R262 WeakPolarHBondContact OD1-CG 3.18Å; D255-R262 IonicContact OD1-CZ 3.82Å; D255-R262 IonicContact OD1-NE 3.37Å; D255-R262 PolarHBondContact OD1-NE 3.47Å; D255-R262 IonicContact OD1-NH2 3.14Å; D255-R262 IonicContact OD2-CZ 2.66Å; D255-R262 IonicContact OD2-NE 2.87Å; D255-R262 PolarHBondContact OD2-NE 2.95Å; D255-R262 IonicContact OD2-NH2 2.73Å; D255-R262 PolarHBondContact OD2-NH2 3.08Å
256R88.4Confident90.7Very high83 Ų8348.6 Ų48.631%0.31327%0.265SS..EExtended strand (participates in β ladder)trans-109.2130.3-175.1177.1178.2176.3-137.5-1.8110.4R262 Y263R256-R262 CarbonylContact O-C 3.27Å; R256-Y263 PolarHBondContact N-O 3.13Å; R256-Y263 PolarHBondContact O-N 3.01Å
257F86.8Confident90.8Very high103 Ų10347.6 Ų47.645%0.45226%0.259SS..EExtended strand (participates in β ladder)trans-104122.9170-68-96.5000109.3T73 E261 R262T73-F257 HydrophobicContact CG2-CD2 4.02Å; T73-F257 HydrophobicContact CG2-CE2 4.04Å; F257-E261 WeakPolarHBondContact CA-O 3.42Å; F257-R262 HydrophobicContact CD1-CB 4.1Å; F257-R262 HydrophobicContact CD1-CG 4.23Å; F257-R262 HydrophobicContact CE1-CB 3.8Å; F257-R262 HydrophobicContact CE1-CG 3.71Å; F257-R262 HydrophobicContact CE2-CG 4.17Å; F257-R262 HydrophobicContact CZ-CB 4.3Å; F257-R262 HydrophobicContact CZ-CG 3.67Å
258A84.1Confident90.9Very high22 Ų2244.3 Ų44.318%0.18224%0.235CC..EExtended strand (participates in β ladder)trans-143138.8173.900000109.9G260 E261 Y263A258-G260 PolarHBondContact O-N 3.42Å; A258-E261 PolarHBondContact N-O 3.46Å; A258-E261 PolarHBondContact O-N 3.03Å; A258-Y263 HydrophobicContact CB-CD2 4.12Å; A258-Y263 HydrophobicContact CB-CE2 3.75Å; A258-Y263 WeakPolarHBondContact O-CE2 3.44Å
259S84.6Confident91Very high125 Ų12544 Ų4487%0.87423%0.233SC*.THydrogen-bonded Turntrans53.728.8179-54.70000115.4E261S259-E261 VanDerWaalsContact C-N 3.25Å; S259-E261 PolarHBondContact O-N 2.85Å
260G83Confident91Very high83 Ų8341.9 Ų41.986%0.85622%0.224SC*.THydrogen-bonded Turntrans81.6-3.3-176.600000114.8A258A258-G260 PolarHBondContact O-N 3.42Å
261E86.2Confident90.9Very high116 Ų11642.8 Ų42.854%0.54223%0.228SC..EExtended strand (participates in β ladder)trans-102.9150.4177.6-63.1-174.6156.400111.5F257 A258 S259 Y263F257-E261 WeakPolarHBondContact CA-O 3.42Å; A258-E261 PolarHBondContact N-O 3.46Å; A258-E261 PolarHBondContact O-N 3.03Å; S259-E261 VanDerWaalsContact C-N 3.25Å; S259-E261 PolarHBondContact O-N 2.85Å; E261-Y263 HydrophobicContact CB-CE2 3.85Å; E261-Y263 PolarHBondContact OE2-OH 3.23Å
262R89.9Confident90.9Very high52 Ų5242.8 Ų42.820%0.19623%0.228CC..EExtended strand (participates in β ladder)trans-102.3119.4177.4-169.5-170.5-171.1158.69.9109.5D179 D255 R256 F257D179-R262 VanDerWaalsContact CG-NH1 3.29Å; D179-R262 IonicContact OD1-CZ 3.35Å; D179-R262 IonicContact OD1-NH1 3.34Å; D179-R262 PolarHBondContact OD1-NH1 2.84Å; D179-R262 IonicContact OD1-NH2 3.64Å; D179-R262 PolarHBondContact OD1-NH2 2.82Å; D179-R262 IonicContact OD2-CZ 3.88Å; D179-R262 IonicContact OD2-NH1 3.89Å; D179-R262 PolarHBondContact OD2-NH1 3.36Å; D255-R262 WeakPolarHBondContact OD1-CG 3.18Å; D255-R262 IonicContact OD1-CZ 3.82Å; D255-R262 IonicContact OD1-NE 3.37Å; D255-R262 PolarHBondContact OD1-NE 3.47Å; D255-R262 IonicContact OD1-NH2 3.14Å; D255-R262 IonicContact OD2-CZ 2.66Å; D255-R262 IonicContact OD2-NE 2.87Å; D255-R262 PolarHBondContact OD2-NE 2.95Å; D255-R262 IonicContact OD2-NH2 2.73Å; D255-R262 PolarHBondContact OD2-NH2 3.08Å; R256-R262 CarbonylContact O-C 3.27Å; F257-R262 HydrophobicContact CD1-CB 4.1Å; F257-R262 HydrophobicContact CD1-CG 4.23Å; F257-R262 HydrophobicContact CE1-CB 3.8Å; F257-R262 HydrophobicContact CE1-CG 3.71Å; F257-R262 HydrophobicContact CE2-CG 4.17Å; F257-R262 HydrophobicContact CZ-CB 4.3Å; F257-R262 HydrophobicContact CZ-CG 3.67Å
263Y88.9Confident90.8Very high63 Ų6344.8 Ų44.825%0.24724%0.239CC..EExtended strand (participates in β ladder)trans-107.1109.2177.6-57.8-87.2000109.5R256 A258 E261R256-Y263 PolarHBondContact N-O 3.13Å; R256-Y263 PolarHBondContact O-N 3.01Å; A258-Y263 HydrophobicContact CB-CD2 4.12Å; A258-Y263 HydrophobicContact CB-CE2 3.75Å; A258-Y263 WeakPolarHBondContact O-CE2 3.44Å; E261-Y263 HydrophobicContact CB-CE2 3.85Å; E261-Y263 PolarHBondContact OE2-OH 3.23Å
264W89.7Confident90.8Very high36 Ų3644.8 Ų44.814%0.13624%0.239CC..  trans-124.7-1.3-178.847.8-100.5000113.3I162 R163 L171 F175 R254 H266 S267I162-W264 HydrophobicContact CG2-CE3 3.8Å; I162-W264 HydrophobicContact CG2-CZ3 3.97Å; R163-W264 HydrophobicContact CG-CH2 4.43Å; R163-W264 HydrophobicContact CG-CZ3 3.91Å; L171-W264 HydrophobicContact CB-CH2 4.41Å; L171-W264 HydrophobicContact CD1-CH2 3.67Å; L171-W264 HydrophobicContact CD1-CZ3 3.71Å; L171-W264 HydrophobicContact CD2-CE3 4.46Å; L171-W264 HydrophobicContact CD2-CZ3 4.03Å; L171-W264 HydrophobicContact CG-CH2 4.43Å; L171-W264 HydrophobicContact CG-CZ3 4.36Å; F175-W264 HydrophobicContact CD2-CD2 4.33Å; F175-W264 HydrophobicContact CD2-CG 4.35Å; F175-W264 HydrophobicContact CE1-CB 3.78Å; F175-W264 AromaticContact CE1-CG 3.93Å; F175-W264 HydrophobicContact CE1-CG 3.93Å; F175-W264 HydrophobicContact CE2-CB 4.09Å; F175-W264 AromaticContact CE2-CD1 3.81Å; F175-W264 AromaticContact CE2-CD2 3.34Å; F175-W264 HydrophobicContact CE2-CD2 3.34Å; F175-W264 AromaticContact CE2-CE2 3.69Å; F175-W264 AromaticContact CE2-CE3 3.74Å; F175-W264 HydrophobicContact CE2-CE3 3.74Å; F175-W264 AromaticContact CE2-CG 3.46Å; F175-W264 HydrophobicContact CE2-CG 3.46Å; F175-W264 VanDerWaalsContact CE2-CG 3.46Å; F175-W264 HydrophobicContact CE2-CZ2 4.37Å; F175-W264 HydrophobicContact CE2-CZ3 4.41Å; F175-W264 AromaticContact CE2-NE1 3.93Å; F175-W264 HydrophobicContact CZ-CB 3.32Å; F175-W264 AromaticContact CZ-CD1 3.82Å; F175-W264 AromaticContact CZ-CD2 3.55Å; F175-W264 HydrophobicContact CZ-CD2 3.55Å; F175-W264 AromaticContact CZ-CE3 3.97Å; F175-W264 HydrophobicContact CZ-CE3 3.97Å; F175-W264 AromaticContact CZ-CG 3.23Å; F175-W264 HydrophobicContact CZ-CG 3.23Å; R254-W264 WeakPolarHBondContact O-CA 3.4Å; W264-H266 PolarHBondContact O-N 3.24Å; W264-H266 VanDerWaalsContact O-N 3.09Å; W264-S267 WeakPolarHBondContact O-CB 3.37Å; W264-S267 PolarHBondContact O-N 3.43Å; W264-S267 PolarHBondContact O-OG 2.88Å
265E87.8Confident90.8Very high70 Ų7047.8 Ų47.833%0.32725%0.254SS..THydrogen-bonded Turntrans-62.8-21.6-172.1-54.7157.713300112.8S161 R163 S267S161-E265 PolarHBondContact OG-O 3.2Å; R163-E265 IonicContact CZ-OE1 3.34Å; R163-E265 IonicContact NH1-OE1 2.74Å; R163-E265 IonicContact NH2-OE1 3.92Å; R163-E265 PolarHBondContact NH2-OE1 3.4Å; E265-S267 VanDerWaalsContact C-N 3.28Å
266H89.1Confident90.9Very high97 Ų9750.4 Ų50.445%0.44927%0.271SS..THydrogen-bonded Turntrans-83.2-5.6179.7-53.979.8000112.7R254 W264R254-H266 VanDerWaalsContact CD-O 3.26Å; R254-H266 WeakPolarHBondContact CD-O 3.26Å; R254-H266 PolarHBondContact NH1-O 2.8Å; R254-H266 VanDerWaalsContact NH1-O 3.08Å; W264-H266 PolarHBondContact O-N 3.24Å; W264-H266 VanDerWaalsContact O-N 3.09Å
267S94.6Very high90.9Very high0 Ų047.1 Ų47.10%026%0.26CS..  trans-64.8145.7173.3-57.90000110.5I162 C252 R254 W264 E265I162-S267 PolarHBondContact N-O 3.24Å; C252-S267 WeakPolarHBondContact O-CA 3.48Å; C252-S267 WeakPolarHBondContact O-CB 3.36Å; R254-S267 PolarHBondContact N-OG 2.9Å; R254-S267 PolarHBondContact O-OG 3.28Å; W264-S267 WeakPolarHBondContact O-CB 3.37Å; W264-S267 PolarHBondContact O-N 3.43Å; W264-S267 PolarHBondContact O-OG 2.88Å; E265-S267 VanDerWaalsContact C-N 3.28Å
268I95.7Very high90.8Very high10 Ų1048 Ų485%0.05127%0.269CS..EExtended strand (participates in β ladder)trans-126.7150.5-175.562.5175.9000111.3T159 R160 C252 I270T159-I268 HydrophobicContact CG2-CB 4.17Å; T159-I268 HydrophobicContact CG2-CD1 4.09Å; R160-I268 CarbonylContact O-C 3.58Å; R160-I268 WeakPolarHBondContact O-CA 3.4Å; C252-I268 HydrophobicContact CB-CD1 4.46Å; C252-I268 HydrophobicContact CB-CG1 3.65Å; C252-I268 PolarHBondContact N-O 2.82Å; C252-I268 PolarHBondContact O-N 2.63Å; I268-I270 HydrophobicContact CD1-CD1 3.94Å; I268-I270 HydrophobicContact CD1-CG1 4.04Å; I268-I270 HydrophobicContact CG1-CD1 4.49Å; I268-I270 HydrophobicContact CG1-CG1 4.24Å
269V97Very high90.7Very high0 Ų050.3 Ų50.30%028%0.282CS..EExtended strand (participates in β ladder)trans-112.8119.2170.8-179.90000108.3T159 R160 E165 F166 Y213 V250 L251T159-V269 WeakPolarHBondContact CA-O 3.22Å; R160-V269 PolarHBondContact N-O 2.96Å; R160-V269 PolarHBondContact O-N 2.96Å; E165-V269 HydrophobicContact CB-CB 4.29Å; E165-V269 HydrophobicContact CB-CG2 3.93Å; E165-V269 HydrophobicContact CG-CB 4.26Å; E165-V269 HydrophobicContact CG-CG1 4.05Å; E165-V269 HydrophobicContact CG-CG2 4.04Å; F166-V269 HydrophobicContact CE2-CG2 4.08Å; Y213-V269 HydrophobicContact CD1-CG1 4.05Å; Y213-V269 HydrophobicContact CE1-CG1 3.81Å; V250-V269 CarbonylContact O-C 3.52Å; V250-V269 WeakPolarHBondContact O-CA 3.37Å; L251-V269 HydrophobicContact CD1-CG2 3.84Å
270I96.7Very high90.5Very high0 Ų049.6 Ų49.60%027%0.273CS..EExtended strand (participates in β ladder)trans-106.1116.5-179.8-47.5178.2000108.1L4 V156 T159 P226 V250 I268 I272L4-I270 HydrophobicContact CD1-CD1 4.15Å; L4-I270 HydrophobicContact CD1-CG2 4.3Å; V156-I270 HydrophobicContact CG1-CG2 3.92Å; V156-I270 HydrophobicContact CG2-CG2 4.14Å; T159-I270 HydrophobicContact CG2-CG1 4.16Å; P226-I270 HydrophobicContact CB-CD1 4.38Å; P226-I270 HydrophobicContact CG-CD1 3.94Å; V250-I270 HydrophobicContact CB-CB 4.46Å; V250-I270 PolarHBondContact N-O 3.32Å; V250-I270 PolarHBondContact O-N 2.9Å; I268-I270 HydrophobicContact CD1-CD1 3.94Å; I268-I270 HydrophobicContact CD1-CG1 4.04Å; I268-I270 HydrophobicContact CG1-CD1 4.49Å; I268-I270 HydrophobicContact CG1-CG1 4.24Å; I270-I272 HydrophobicContact CG2-CG2 3.62Å
271H96.1Very high90.3Very high20 Ų2047.5 Ų47.59%0.09324%0.24CC..EExtended strand (participates in β ladder)trans-88121.5170.8-63.8-123.6000107.2T157 S158 E165T157-H271 PolarHBondContact N-O 3.03Å; T157-H271 VanDerWaalsContact OG1-C 3.31Å; T157-H271 WeakPolarHBondContact OG1-CB 3.45Å; T157-H271 PolarHBondContact OG1-O 2.99Å; S158-H271 PolarHBondContact N-O 3.4Å; S158-H271 PolarHBondContact O-N 2.82Å; E165-H271 VanDerWaalsContact CD-NE2 3.34Å; E165-H271 IonicContact OE1-CE1 3.26Å; E165-H271 PolarHBondContact OE1-CE1 3.01Å; E165-H271 VanDerWaalsContact OE1-CE1 3.26Å; E165-H271 IonicContact OE1-NE2 3.23Å; E165-H271 PolarHBondContact OE1-NE2 2.88Å; E165-H271 IonicContact OE2-CE1 3.58Å; E165-H271 IonicContact OE2-NE2 2.87Å; E165-H271 PolarHBondContact OE2-NE2 2.87Å
272I95.7Very high89.7Confident0 Ų048.1 Ų48.10%025%0.252CS..EExtended strand (participates in β ladder)trans-124.5147.6-178.563177.2000110.5L4 P154 V155 V156 L234 S247 L248 V250 I270L4-I272 HydrophobicContact CD2-CG2 4.34Å; P154-I272 HydrophobicContact CB-CB 4.42Å; P154-I272 HydrophobicContact CB-CD1 4.07Å; V155-I272 CarbonylContact O-C 3.52Å; V155-I272 VanDerWaalsContact O-CA 3.29Å; V155-I272 WeakPolarHBondContact O-CA 3.2Å; V156-I272 HydrophobicContact CG2-CG2 4.35Å; L234-I272 HydrophobicContact CD1-CD1 3.83Å; L234-I272 HydrophobicContact CD2-CD1 3.78Å; L234-I272 HydrophobicContact CG-CD1 4.47Å; S247-I272 WeakPolarHBondContact CA-O 2.93Å; L248-I272 HydrophobicContact CB-CD1 4.37Å; L248-I272 HydrophobicContact CB-CG1 3.91Å; L248-I272 HydrophobicContact CD2-CD1 4.28Å; L248-I272 PolarHBondContact N-O 3.2Å; L248-I272 WeakPolarHBondContact O-CG1 3.23Å; L248-I272 PolarHBondContact O-N 2.83Å; V250-I272 HydrophobicContact CG2-CD1 3.85Å; V250-I272 HydrophobicContact CG2-CG1 4.33Å; I270-I272 HydrophobicContact CG2-CG2 3.62Å
273N95.4Very high89.8Confident41 Ų4149.7 Ų49.722%0.21926%0.262CS..EExtended strand (participates in β ladder)trans-96.5125.7163.7-171.123.9000108.3V155 T157 E245 C246V155-N273 PolarHBondContact N-O 2.85Å; V155-N273 PolarHBondContact O-N 3.15Å; T157-N273 HydrophobicContact CG2-CB 4.2Å; E245-N273 WeakPolarHBondContact CG-OD1 3.44Å; E245-N273 PolarHBondContact OE1-ND2 2.83Å; C246-N273 PolarHBondContact O-OD1 3.3Å; C246-N273 VanDerWaalsContact O-OD1 3.14Å
274I93.8Very high90.1Very high2 Ų246.8 Ų46.81%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-126.2136.7-174.9-170.3163.4000109.5P154 L234 I242 E245 C246 L248P154-I274 HydrophobicContact CG-CD1 4.47Å; L234-I274 HydrophobicContact CB-CD1 4.34Å; L234-I274 HydrophobicContact CD2-CD1 4.35Å; I242-I274 HydrophobicContact CD1-CB 4.19Å; I242-I274 HydrophobicContact CD1-CD1 3.53Å; I242-I274 HydrophobicContact CD1-CG1 3.71Å; I242-I274 HydrophobicContact CD1-CG2 3.47Å; I242-I274 VanDerWaalsContact CD1-CG2 3.47Å; I242-I274 HydrophobicContact CG1-CG2 4.48Å; E245-I274 WeakPolarHBondContact CA-O 3.14Å; C246-I274 PolarHBondContact N-O 2.81Å; C246-I274 WeakPolarHBondContact O-CG2 3.17Å; C246-I274 PolarHBondContact O-N 2.86Å; L248-I274 HydrophobicContact CB-CG2 3.95Å
275Q93.1Very high90.3Very high78 Ų7846.9 Ų46.936%0.36426%0.255SS..  trans-113.6152.9-177.1-69-179.2-11.300109.8V152 S238 E245V152-Q275 HydrophobicContact CG1-CB 3.8Å; V152-Q275 HydrophobicContact CG1-CG 4.41Å; S238-Q275 PolarHBondContact OG-O 2.84Å; E245-Q275 HydrophobicContact CB-CG 4.09Å; E245-Q275 VanDerWaalsContact CD-NE2 3.34Å; E245-Q275 HydrophobicContact CG-CG 3.83Å; E245-Q275 PolarHBondContact OE1-NE2 2.78Å
276P92.3Very high90.6Very high58 Ų5844.1 Ų44.138%0.37725%0.245SC..  trans-62.6139.8172.926.9-34.9000110.9S238 I242S238-P276 WeakPolarHBondContact O-CA 3.32Å; I242-P276 WeakPolarHBondContact O-CB 3.24Å
277T89.4Confident90.9Very high14 Ų1440.7 Ų40.79%0.08623%0.228CC..  trans-122.4152.4174.3-168.40000111.3S151 Y235 S238 S239S151-T277 PolarHBondContact OG-OG1 3.41Å; Y235-T277 HydrophobicContact CD2-CG2 4.14Å; Y235-T277 HydrophobicContact CE2-CG2 3.78Å; S238-T277 PolarHBondContact O-N 3.16Å; S238-T277 WeakPolarHBondContact OG-CB 3.3Å; S238-T277 WeakPolarHBondContact OG-CG2 3.33Å; S238-T277 PolarHBondContact OG-N 3.08Å; S239-T277 WeakPolarHBondContact CA-O 3.4Å
278N84.2Confident90.9Very high121 Ų12141.5 Ų41.565%0.64723%0.232SC*.  trans-64.1137.7172.1-72.2-22.5000109.8Y235 T280Y235-N278 PolarHBondContact OH-O 3.37Å; N278-T280 PolarHBondContact O-N 2.89Å
279P81Confident90.8Very high70 Ų7047.4 Ų47.446%0.45526%0.258SS..SBendtrans-72.14.6179.230.5-35.9000113.3F281P279-F281 WeakPolarHBondContact O-CD1 3.4Å; P279-F281 WeakPolarHBondContact O-CE1 3.17Å; P279-F281 PolarHBondContact O-N 2.82Å
280T80.9Confident90.4Very high110 Ų11052.1 Ų52.168%0.67528%0.275SS*.  trans-83.4106.9176.652.10000110.9N278N278-T280 PolarHBondContact O-N 2.89Å
281F78.6Confident90Very high40 Ų4059.5 Ų59.518%0.17531%0.307CS..  trans-108.7128.7174.643.1-92.7000110.5A104 M107 T108 I111 V148 Y235 P279 F284A104-F281 HydrophobicContact CB-CD2 4.19Å; A104-F281 HydrophobicContact CB-CE2 3.8Å; M107-F281 HydrophobicContact CB-CE1 4.27Å; M107-F281 HydrophobicContact CB-CE2 4.21Å; M107-F281 HydrophobicContact CB-CZ 4.01Å; M107-F281 HydrophobicContact CG-CD1 4.01Å; M107-F281 HydrophobicContact CG-CE1 3.79Å; M107-F281 HydrophobicContact CG-CG 4.46Å; M107-F281 HydrophobicContact CG-CZ 4.06Å; T108-F281 WeakPolarHBondContact OG1-CZ 3.5Å; I111-F281 HydrophobicContact CD1-CE1 4.11Å; V148-F281 HydrophobicContact CG1-CB 3.81Å; V148-F281 HydrophobicContact CG2-CB 4.34Å; Y235-F281 AromaticContact CE1-CD1 3.94Å; Y235-F281 HydrophobicContact CE1-CD1 3.94Å; Y235-F281 WeakPolarHBondContact OH-CD1 3.47Å; P279-F281 WeakPolarHBondContact O-CD1 3.4Å; P279-F281 WeakPolarHBondContact O-CE1 3.17Å; P279-F281 PolarHBondContact O-N 2.82Å; F281-F284 AromaticContact CD2-CE2 3.77Å; F281-F284 HydrophobicContact CD2-CE2 3.77Å; F281-F284 AromaticContact CD2-CZ 3.88Å; F281-F284 HydrophobicContact CD2-CZ 3.88Å; F281-F284 HydrophobicContact CE2-CZ 4.46Å; F281-F284 HydrophobicContact CG-CE2 4.44Å; F281-F284 HydrophobicContact CG-CZ 4.38Å
282T74.9Confident89.5Confident128 Ų12865.8 Ų65.879%0.78534%0.342SS*.  trans-115.8-17.3177.6540000113.3
283Q91.8Very high89.4Confident86 Ų8672.7 Ų72.740%0.40237%0.372SS..  trans-138.2134.6-171.6-168.6172.97.600112.5L149L149-Q283 HydrophobicContact CB-CB 4.3Å; L149-Q283 HydrophobicContact CB-CG 4.45Å; L149-Q283 WeakPolarHBondContact CB-O 3.36Å; L149-Q283 HydrophobicContact CD2-CB 4.41Å; L149-Q283 HydrophobicContact CD2-CG 4.16Å; L149-Q283 PolarHBondContact N-O 2.99Å
284F94.4Very high89.2Confident1 Ų175.9 Ų75.90%0.00439%0.388CS..EExtended strand (participates in β ladder)trans-116.9152.1174.9-73-103000110.9Q96 L99 N100 G103 A104 F106 M107 P146 A147 V148 F281Q96-F284 PolarHBondContact NE2-O 3.05Å; L99-F284 HydrophobicContact CD2-CB 4.33Å; L99-F284 WeakPolarHBondContact CD2-O 3.39Å; L99-F284 HydrophobicContact CG-CB 3.93Å; N100-F284 PolarHBondContact OD1-N 3.49Å; G103-F284 VanDerWaalsContact C-CE1 3.44Å; G103-F284 VanDerWaalsContact C-CE2 3.44Å; G103-F284 WeakPolarHBondContact O-CE1 3.28Å; G103-F284 WeakPolarHBondContact O-CZ 3.26Å; A104-F284 HydrophobicContact CB-CE2 4.26Å; A104-F284 VanDerWaalsContact N-CE2 3.34Å; F106-F284 HydrophobicContact CE1-CE1 4.34Å; F106-F284 HydrophobicContact CZ-CE1 4.16Å; M107-F284 HydrophobicContact CB-CE1 4.3Å; M107-F284 HydrophobicContact CB-CZ 3.92Å; M107-F284 HydrophobicContact CG-CZ 4.44Å; P146-F284 HydrophobicContact CB-CD1 4.03Å; A147-F284 CarbonylContact O-C 3.56Å; A147-F284 VanDerWaalsContact O-CA 3.29Å; A147-F284 WeakPolarHBondContact O-CA 3.29Å; V148-F284 HydrophobicContact CB-CE1 4.35Å; V148-F284 HydrophobicContact CG2-CD1 4.09Å; V148-F284 HydrophobicContact CG2-CE1 3.35Å; V148-F284 HydrophobicContact CG2-CE2 4.42Å; V148-F284 HydrophobicContact CG2-CZ 3.53Å; F281-F284 AromaticContact CD2-CE2 3.77Å; F281-F284 HydrophobicContact CD2-CE2 3.77Å; F281-F284 AromaticContact CD2-CZ 3.88Å; F281-F284 HydrophobicContact CD2-CZ 3.88Å; F281-F284 HydrophobicContact CE2-CZ 4.46Å; F281-F284 HydrophobicContact CG-CE2 4.44Å; F281-F284 HydrophobicContact CG-CZ 4.38Å
285V94.3Very high89.2Confident38 Ų3880.5 Ų80.523%0.2341%0.406CS..EExtended strand (participates in β ladder)trans-127.1162.3173.7-65.20000109.6P146 A147 L149 W228P146-V285 WeakPolarHBondContact CA-O 3.44Å; A147-V285 PolarHBondContact N-O 3.04Å; A147-V285 PolarHBondContact O-N 2.68Å; L149-V285 HydrophobicContact CD1-CG1 4.24Å; W228-V285 HydrophobicContact CH2-CG2 4.19Å; W228-V285 HydrophobicContact CZ2-CG2 4.13Å
286G94.2Very high89.3Confident12 Ų1279 Ų7912%0.12440%0.403CS..EExtended strand (participates in β ladder)trans143.46.7173.100000117.1A144 F145 E288A144-G286 CarbonylContact C-O 3.45Å; A144-G286 VanDerWaalsContact CA-O 3.32Å; A144-G286 WeakPolarHBondContact CA-O 3.47Å; F145-G286 PolarHBondContact N-O 3.22Å; F145-G286 WeakPolarHBondContact O-CA 3.26Å; G286-E288 PolarHBondContact O-N 2.97Å
287W95.6Very high89.4Confident25 Ų2579 Ų7910%0.09540%0.395CS..EExtended strand (participates in β ladder)trans-58.5129.8171.6-76.9111.6000111.3K95 L129 W142 F143 A144 L294K95-W287 HydrophobicContact CB-CZ2 3.7Å; K95-W287 HydrophobicContact CG-CZ2 4.14Å; K95-W287 WeakPolarHBondContact O-CZ2 3.28Å; K95-W287 PolarHBondContact O-NE1 3.34Å; L129-W287 HydrophobicContact CB-CH2 4.19Å; L129-W287 HydrophobicContact CB-CZ3 4.49Å; L129-W287 HydrophobicContact CD2-CH2 4.28Å; W142-W287 HydrophobicContact CB-CE3 4.08Å; W142-W287 HydrophobicContact CB-CZ3 3.7Å; W142-W287 AromaticContact CD1-CE3 3.56Å; W142-W287 HydrophobicContact CD2-CD2 4.11Å; W142-W287 AromaticContact CD2-CE3 3.43Å; W142-W287 HydrophobicContact CD2-CE3 3.43Å; W142-W287 VanDerWaalsContact CD2-CE3 3.43Å; W142-W287 AromaticContact CD2-CZ3 3.84Å; W142-W287 HydrophobicContact CD2-CZ3 3.84Å; W142-W287 AromaticContact CE2-CD2 3.98Å; W142-W287 AromaticContact CE2-CE3 3.58Å; W142-W287 HydrophobicContact CE3-CE3 4.12Å; W142-W287 HydrophobicContact CE3-CZ3 4.32Å; W142-W287 HydrophobicContact CG-CD2 4.49Å; W142-W287 AromaticContact CG-CE3 3.41Å; W142-W287 HydrophobicContact CG-CE3 3.41Å; W142-W287 VanDerWaalsContact CG-CE3 3.41Å; W142-W287 AromaticContact CG-CZ3 3.57Å; W142-W287 HydrophobicContact CG-CZ3 3.57Å; W142-W287 HydrophobicContact CZ2-CB 3.77Å; W142-W287 HydrophobicContact CZ2-CD2 4.25Å; W142-W287 HydrophobicContact CZ2-CE3 4.3Å; W142-W287 HydrophobicContact CZ2-CG 4.05Å; W142-W287 AromaticContact NE1-CE3 3.64Å; F143-W287 VanDerWaalsContact O-CE3 3.31Å; A144-W287 HydrophobicContact CB-CD2 3.75Å; A144-W287 HydrophobicContact CB-CE3 3.61Å; A144-W287 HydrophobicContact CB-CG 4.34Å; A144-W287 HydrophobicContact CB-CH2 4.17Å; A144-W287 HydrophobicContact CB-CZ2 4.31Å; A144-W287 HydrophobicContact CB-CZ3 3.82Å; W287-L294 HydrophobicContact CB-CD2 3.99Å; W287-L294 VanDerWaalsContact O-CD2 3.27Å; W287-L294 WeakPolarHBondContact O-CD2 3.31Å
288E94.9Very high89.7Confident17 Ų1782.2 Ų82.28%0.07942%0.415CS..PPolyproline II helixtrans-64.6139.3-179.6-171.6-176.1-158.400110.3T11 W142 F143 G286T11-E288 PolarHBondContact N-OE1 2.92Å; T11-E288 PolarHBondContact OG1-OE1 3.07Å; T11-E288 PolarHBondContact OG1-OE2 3.48Å; W142-E288 PolarHBondContact NE1-O 2.81Å; F143-E288 HydrophobicContact CB-CB 4.12Å; F143-E288 WeakPolarHBondContact O-CB 3.29Å; F143-E288 PolarHBondContact O-N 3.42Å; G286-E288 PolarHBondContact O-N 2.97Å
289K92.8Very high90.2Very high135 Ų13578.4 Ų78.459%0.58740%0.395SS*.EExtended strand (participates in β ladder)trans-89.7139.4174.3-68.2178.4-177177.40109.9K293 L294K289-K293 CarbonylContact C-O 3.57Å; K289-K293 VanDerWaalsContact CA-O 3.32Å; K289-K293 WeakPolarHBondContact CA-O 3.28Å; K289-L294 HydrophobicContact CG-CD2 3.71Å; K289-L294 HydrophobicContact CG-CG 4.28Å
290W89.4Confident90.8Very high99 Ų9978.9 Ų78.938%0.37539%0.394SS..EExtended strand (participates in β ladder)trans-118.7118.2170.3179.3-126.2000110.9K293 R295 R297W290-K293 PolarHBondContact N-O 2.7Å; W290-K293 PolarHBondContact O-N 3.38Å; W290-R295 HydrophobicContact CB-CG 4.03Å; W290-R295 VanDerWaalsContact CD1-NH2 3.34Å; W290-R295 PolarHBondContact O-NE 3.04Å; W290-R295 VanDerWaalsContact O-NE 3.16Å; W290-R297 HydrophobicContact CB-CG 3.9Å; W290-R297 HydrophobicContact CD2-CG 3.84Å; W290-R297 HydrophobicContact CE3-CG 4.24Å; W290-R297 HydrophobicContact CG-CG 3.67Å
291K88.2Confident91.3Very high154 Ų15474.3 Ų74.367%0.6737%0.365SS*.THydrogen-bonded Turntrans52.451.5-169.9-54.8-166.8-177.4-176.30111.9K293K291-K293 PolarHBondContact O-N 2.64Å; K291-K293 VanDerWaalsContact O-N 3.09Å
292N85.3Confident91.8Very high153 Ų15372.7 Ų72.782%0.81836%0.359SS*.THydrogen-bonded Turntrans61.311.1-179.9-62.2-26.8000116.5
293K92.3Very high92.3Very high145 Ų14574 Ų7463%0.6336%0.356SS*.EExtended strand (participates in β ladder)trans-120.2146.1176.8-64.1-174.5179.4-174.40111K289 W290 K291 R295K289-K293 CarbonylContact C-O 3.57Å; K289-K293 VanDerWaalsContact CA-O 3.32Å; K289-K293 WeakPolarHBondContact CA-O 3.28Å; W290-K293 PolarHBondContact N-O 2.7Å; W290-K293 PolarHBondContact O-N 3.38Å; K291-K293 PolarHBondContact O-N 2.64Å; K291-K293 VanDerWaalsContact O-N 3.09Å; K293-R295 HydrophobicContact CB-CG 4.49Å; K293-R295 PolarHBondContact O-N 3.14Å; K293-R295 VanDerWaalsContact O-N 3.13Å
294L92.9Very high91.8Very high108 Ų10872.3 Ų72.357%0.56535%0.354SS*.EExtended strand (participates in β ladder)trans-74.997.7171.8-69.2173.6000108.9W142 W287 K289W142-L294 HydrophobicContact CH2-CB 4.4Å; W142-L294 HydrophobicContact CZ2-CB 4Å; W287-L294 HydrophobicContact CB-CD2 3.99Å; W287-L294 VanDerWaalsContact O-CD2 3.27Å; W287-L294 WeakPolarHBondContact O-CD2 3.31Å; K289-L294 HydrophobicContact CG-CD2 3.71Å; K289-L294 HydrophobicContact CG-CG 4.28Å
295R93.2Very high91.3Very high99 Ų9973.3 Ų73.337%0.37436%0.359SS..  trans-156.3151.7179.265.3-178.5-179.8156.89.3111.1W290 K293W290-R295 HydrophobicContact CB-CG 4.03Å; W290-R295 VanDerWaalsContact CD1-NH2 3.34Å; W290-R295 PolarHBondContact O-NE 3.04Å; W290-R295 VanDerWaalsContact O-NE 3.16Å; K293-R295 HydrophobicContact CB-CG 4.49Å; K293-R295 PolarHBondContact O-N 3.14Å; K293-R295 VanDerWaalsContact O-N 3.13Å
296P94.6Very high90.9Very high47 Ų4773.3 Ų73.331%0.30536%0.357SS..  trans-65.4162.7173.228.8-36000112.1F90 F141 W142F90-P296 HydrophobicContact CE1-CB 3.74Å; F90-P296 HydrophobicContact CE1-CG 3.97Å; F90-P296 HydrophobicContact CZ-CB 3.75Å; F90-P296 HydrophobicContact CZ-CG 4.46Å; F141-P296 CarbonylContact O-C 3.57Å; F141-P296 WeakPolarHBondContact O-CA 3.48Å; F141-P296 WeakPolarHBondContact O-CB 3.44Å; W142-P296 HydrophobicContact CB-CB 4.14Å; W142-P296 HydrophobicContact CD2-CB 4.39Å; W142-P296 HydrophobicContact CE3-CB 4.24Å; W142-P296 HydrophobicContact CE3-CG 4.48Å; W142-P296 HydrophobicContact CG-CB 4.37Å
297R95.1Very high90.6Very high58 Ų5876.8 Ų76.822%0.21938%0.378CS..EExtended strand (participates in β ladder)trans-108.2156.7174.6-68.6171.767.9-176.7-1.5109.7T11 Y140 F141 W290T11-R297 PolarHBondContact O-NH1 3.14Å; Y140-R297 WeakPolarHBondContact CA-O 3.5Å; F141-R297 HydrophobicContact CD1-CB 4.07Å; F141-R297 HydrophobicContact CD2-CB 4.27Å; F141-R297 HydrophobicContact CE1-CB 3.54Å; F141-R297 HydrophobicContact CE2-CB 3.76Å; F141-R297 HydrophobicContact CE2-CG 4.3Å; F141-R297 HydrophobicContact CG-CB 4.42Å; F141-R297 HydrophobicContact CZ-CB 3.38Å; F141-R297 HydrophobicContact CZ-CG 4.16Å; F141-R297 PolarHBondContact N-O 3.03Å; F141-R297 PolarHBondContact O-N 3.05Å; W290-R297 HydrophobicContact CB-CG 3.9Å; W290-R297 HydrophobicContact CD2-CG 3.84Å; W290-R297 HydrophobicContact CE3-CG 4.24Å; W290-R297 HydrophobicContact CG-CG 3.67Å
298V95Very high90.1Very high81 Ų8178.4 Ų78.449%0.49139%0.39SS..EExtended strand (participates in β ladder)trans-131.9135.1173.5-172.70000107.9F139 Y140F139-V298 VanDerWaalsContact O-CA 3.32Å; F139-V298 WeakPolarHBondContact O-CA 3.31Å; Y140-V298 HydrophobicContact CD1-CB 4.35Å; Y140-V298 HydrophobicContact CD1-CG1 4.19Å; Y140-V298 HydrophobicContact CD1-CG2 3.29Å; Y140-V298 HydrophobicContact CD2-CG1 4.47Å; Y140-V298 HydrophobicContact CE1-CB 4.43Å; Y140-V298 HydrophobicContact CE1-CG1 4.02Å; Y140-V298 HydrophobicContact CE1-CG2 3.49Å; Y140-V298 VanDerWaalsContact CE1-CG2 3.49Å; Y140-V298 HydrophobicContact CE2-CG1 4.34Å; Y140-V298 HydrophobicContact CG-CG1 4.39Å; Y140-V298 HydrophobicContact CG-CG2 4.04Å
299V94Very high89.6Confident40 Ų4081.1 Ų81.124%0.24240%0.402CS..EExtended strand (participates in β ladder)trans-119.4132169.962.50000109.1W18 K138 F139 F141 L301W18-V299 HydrophobicContact CD2-CG1 4.27Å; W18-V299 HydrophobicContact CZ2-CG1 3.87Å; K138-V299 WeakPolarHBondContact CA-O 3.29Å; F139-V299 HydrophobicContact CB-CG1 3.76Å; F139-V299 HydrophobicContact CD2-CG1 4.27Å; F139-V299 HydrophobicContact CG-CG1 4.44Å; F139-V299 PolarHBondContact N-O 2.87Å; F139-V299 PolarHBondContact O-N 2.6Å; F141-V299 HydrophobicContact CE1-CG1 4.3Å; V299-L301 HydrophobicContact CG1-CG 4.4Å; V299-L301 HydrophobicContact CG2-CD2 3.65Å; V299-L301 HydrophobicContact CG2-CG 3.94Å
300D93.6Very high89.3Confident80 Ų8078.4 Ų78.443%0.42839%0.393SS..EExtended strand (participates in β ladder)trans-100.8113.4173.1-171.8-25000107.5K138 S302K138-D300 WeakPolarHBondContact CE-OD2 3.36Å; K138-D300 HydrophobicContact CG-CB 4.25Å; K138-D300 IonicContact NZ-OD2 2.71Å; D300-S302 VanDerWaalsContact OD1-CB 3.24Å; D300-S302 WeakPolarHBondContact OD1-CB 3.16Å; D300-S302 PolarHBondContact OD1-N 2.97Å; D300-S302 PolarHBondContact OD1-OG 2.85Å
301L92Very high89.2Confident14 Ų1475.5 Ų75.57%0.07339%0.391CS..  trans-109.618.1179.7-62.6-179.5000111.6T15 W18 Y137 F139 V299 E303 S304 M305T15-L301 HydrophobicContact CG2-CD2 4.26Å; W18-L301 HydrophobicContact CB-CD1 3.39Å; W18-L301 HydrophobicContact CG-CD1 3.53Å; Y137-L301 PolarHBondContact O-N 3.34Å; F139-L301 HydrophobicContact CD2-CD1 3.91Å; F139-L301 HydrophobicContact CD2-CG 4.27Å; F139-L301 HydrophobicContact CE2-CB 4.21Å; F139-L301 HydrophobicContact CE2-CD1 3.8Å; F139-L301 HydrophobicContact CE2-CG 4.3Å; V299-L301 HydrophobicContact CG1-CG 4.4Å; V299-L301 HydrophobicContact CG2-CD2 3.65Å; V299-L301 HydrophobicContact CG2-CG 3.94Å; L301-E303 PolarHBondContact O-N 3.22Å; L301-S304 PolarHBondContact O-N 3.18Å; L301-S304 VanDerWaalsContact O-N 3.08Å; L301-S304 PolarHBondContact O-OG 3.2Å; L301-M305 HydrophobicContact CB-CG 3.89Å; L301-M305 HydrophobicContact CB-SD 3.7Å; L301-M305 HydrophobicContact CD1-SD 3.94Å; L301-M305 HydrophobicContact CG-SD 4.5Å; L301-M305 VanDerWaalsContact O-CB 3.28Å; L301-M305 WeakPolarHBondContact O-CB 3.29Å; L301-M305 WeakPolarHBondContact O-CG 3.49Å; L301-M305 PolarHBondContact O-N 3.31Å
302S89Confident89.2Confident6 Ų671.5 Ų71.54%0.04238%0.375CS..Hα-helixtrans-60.7-34.7179.759.30000112.4D300 S304 D306 K309D300-S302 VanDerWaalsContact OD1-CB 3.24Å; D300-S302 WeakPolarHBondContact OD1-CB 3.16Å; D300-S302 PolarHBondContact OD1-N 2.97Å; D300-S302 PolarHBondContact OD1-OG 2.85Å; S302-S304 PolarHBondContact O-N 3.39Å; S302-D306 WeakPolarHBondContact O-CB 3.3Å; S302-D306 PolarHBondContact O-N 3.37Å; S302-K309 PolarHBondContact OG-NZ 3.19Å
303E84.8Confident89.3Confident156 Ų15667.5 Ų67.573%0.72936%0.359SS*.Hα-helixtrans-64.8-26.5176.2-64.8-176.4173.400113.7L301 L310L301-E303 PolarHBondContact O-N 3.22Å; E303-L310 VanDerWaalsContact O-CD2 3.28Å; E303-L310 WeakPolarHBondContact O-CD2 3.48Å
304S82.9Confident89.2Confident50 Ų5063 Ų6335%0.3535%0.349SS..Hα-helixtrans-105.3-15.1-178.962.10000114L301 S302L301-S304 PolarHBondContact O-N 3.18Å; L301-S304 VanDerWaalsContact O-N 3.08Å; L301-S304 PolarHBondContact O-OG 3.2Å; S302-S304 PolarHBondContact O-N 3.39Å
305M83.5Confident89Confident23 Ų2359.9 Ų59.911%0.11333%0.334CS..Hα-helixtrans-119.2-25.5-174.3-60.9-172.773.700114.4A22 Y137 F139 L301 P307A22-M305 HydrophobicContact CB-CE 4.09Å; Y137-M305 HydrophobicContact CD1-CB 3.29Å; Y137-M305 HydrophobicContact CD1-CE 4.07Å; Y137-M305 HydrophobicContact CD1-CG 4.23Å; Y137-M305 HydrophobicContact CD1-SD 4.04Å; Y137-M305 HydrophobicContact CE1-CB 3.74Å; Y137-M305 HydrophobicContact CG-CB 3.73Å; F139-M305 HydrophobicContact CE2-SD 3.69Å; F139-M305 HydrophobicContact CZ-CE 4.14Å; F139-M305 HydrophobicContact CZ-SD 3.84Å; L301-M305 HydrophobicContact CB-CG 3.89Å; L301-M305 HydrophobicContact CB-SD 3.7Å; L301-M305 HydrophobicContact CD1-SD 3.94Å; L301-M305 HydrophobicContact CG-SD 4.5Å; L301-M305 VanDerWaalsContact O-CB 3.28Å; L301-M305 WeakPolarHBondContact O-CB 3.29Å; L301-M305 WeakPolarHBondContact O-CG 3.49Å; L301-M305 PolarHBondContact O-N 3.31Å; M305-P307 VanDerWaalsContact O-CD 3.25Å; M305-P307 WeakPolarHBondContact O-CD 3.46Å
306D85.9Confident88.8Confident37 Ų3757.2 Ų57.220%0.19833%0.327CS..  trans-78.3112.9180-174.2-18.4000109.9Y137 S302 V308 K309 L310Y137-D306 HydrophobicContact CD2-CB 3.84Å; Y137-D306 HydrophobicContact CE2-CB 3.65Å; S302-D306 WeakPolarHBondContact O-CB 3.3Å; S302-D306 PolarHBondContact O-N 3.37Å; D306-V308 PolarHBondContact O-N 3.21Å; D306-V308 VanDerWaalsContact O-N 3.15Å; D306-V308 WeakPolarHBondContact OD1-CB 3.16Å; D306-V308 PolarHBondContact OD1-N 3.38Å; D306-K309 HydrophobicContact CB-CB 4.1Å; D306-K309 HydrophobicContact CB-CD 4.19Å; D306-K309 HydrophobicContact CB-CG 4.07Å; D306-K309 PolarHBondContact O-N 3.37Å; D306-L310 WeakPolarHBondContact O-CB 3.28Å; D306-L310 WeakPolarHBondContact O-CG 3.37Å; D306-L310 PolarHBondContact O-N 3.41Å
307P86.7Confident88.6Confident85 Ų8558.9 Ų58.955%0.55233%0.333SS*.Hα-helixtrans-58.4-30.6-178.5-23.535.1000113.2M305 A311M305-P307 VanDerWaalsContact O-CD 3.25Å; M305-P307 WeakPolarHBondContact O-CD 3.46Å; P307-A311 WeakPolarHBondContact O-CB 3.35Å; P307-A311 PolarHBondContact O-N 3Å
308V86.2Confident88.5Confident59 Ų5961.2 Ų61.236%0.35835%0.349SS..Hα-helixtrans-68.6-51178.8177.60000109.9D306 L310 A311 E312 P408D306-V308 PolarHBondContact O-N 3.21Å; D306-V308 VanDerWaalsContact O-N 3.15Å; D306-V308 WeakPolarHBondContact OD1-CB 3.16Å; D306-V308 PolarHBondContact OD1-N 3.38Å; V308-L310 VanDerWaalsContact C-N 3.3Å; V308-L310 PolarHBondContact O-N 2.81Å; V308-A311 PolarHBondContact O-N 3.34Å; V308-E312 WeakPolarHBondContact O-CG 3.34Å; V308-E312 PolarHBondContact O-N 3.11Å; V308-P408 HydrophobicContact CG1-CB 4.11Å; V308-P408 HydrophobicContact CG2-CB 4.38Å
309K84.3Confident88.4Confident74 Ų7457.9 Ų57.932%0.32233%0.329SS..Hα-helixtrans-64.6-34.8177.9-65.6-173.7-178.9-170.70112.8S302 D306 E312 S313S302-K309 PolarHBondContact OG-NZ 3.19Å; D306-K309 HydrophobicContact CB-CB 4.1Å; D306-K309 HydrophobicContact CB-CD 4.19Å; D306-K309 HydrophobicContact CB-CG 4.07Å; D306-K309 PolarHBondContact O-N 3.37Å; K309-E312 PolarHBondContact O-N 3.44Å; K309-S313 VanDerWaalsContact O-CB 3.29Å; K309-S313 WeakPolarHBondContact O-CB 3.44Å; K309-S313 PolarHBondContact O-N 3.26Å; K309-S313 PolarHBondContact O-OG 3.12Å
310L86.2Confident88.3Confident78 Ų7860 Ų6041%0.40834%0.335SS..Hα-helixtrans-62.6-45.4173.6-74.2172.4000111.1E303 D306 V308 S313 A314E303-L310 VanDerWaalsContact O-CD2 3.28Å; E303-L310 WeakPolarHBondContact O-CD2 3.48Å; D306-L310 WeakPolarHBondContact O-CB 3.28Å; D306-L310 WeakPolarHBondContact O-CG 3.37Å; D306-L310 PolarHBondContact O-N 3.41Å; V308-L310 VanDerWaalsContact C-N 3.3Å; V308-L310 PolarHBondContact O-N 2.81Å; L310-S313 PolarHBondContact O-N 3.29Å; L310-A314 WeakPolarHBondContact O-CB 3.35Å; L310-A314 PolarHBondContact O-N 3.15Å
311A87.1Confident88.3Confident39 Ų3958.4 Ų58.432%0.32233%0.326SS..Hα-helixtrans-63.8-44.817600000112.1P307 V308 S313 A314 V315P307-A311 WeakPolarHBondContact O-CB 3.35Å; P307-A311 PolarHBondContact O-N 3Å; V308-A311 PolarHBondContact O-N 3.34Å; A311-S313 PolarHBondContact O-N 2.85Å; A311-A314 PolarHBondContact O-N 3.28Å; A311-V315 WeakPolarHBondContact O-CG2 3.36Å; A311-V315 PolarHBondContact O-N 3.29Å
312E88.2Confident88.2Confident70 Ų7060.7 Ų60.733%0.32734%0.337SS..Hα-helixtrans-56.8-49.1174.2-70-176.9163.300111.7V308 K309 A314 V315 D316 F407 G409V308-E312 WeakPolarHBondContact O-CG 3.34Å; V308-E312 PolarHBondContact O-N 3.11Å; K309-E312 PolarHBondContact O-N 3.44Å; E312-A314 VanDerWaalsContact C-N 3.34Å; E312-A314 PolarHBondContact O-N 2.84Å; E312-V315 PolarHBondContact O-N 2.82Å; E312-D316 WeakPolarHBondContact O-CB 3.44Å; E312-D316 PolarHBondContact O-N 3.09Å; E312-F407 HydrophobicContact CB-CE2 4.41Å; E312-F407 HydrophobicContact CB-CZ 4.26Å; E312-F407 HydrophobicContact CG-CE2 3.93Å; E312-F407 HydrophobicContact CG-CZ 3.68Å; E312-G409 VanDerWaalsContact OE1-CA 3.26Å; E312-G409 WeakPolarHBondContact OE1-CA 3.43Å
313S87.3Confident88.4Confident69 Ų6963.2 Ų63.248%0.48335%0.347SS..Hα-helixtrans-62.7-39.5179.6-61.20000112.3K309 L310 A311 L317K309-S313 VanDerWaalsContact O-CB 3.29Å; K309-S313 WeakPolarHBondContact O-CB 3.44Å; K309-S313 PolarHBondContact O-N 3.26Å; K309-S313 PolarHBondContact O-OG 3.12Å; L310-S313 PolarHBondContact O-N 3.29Å; A311-S313 PolarHBondContact O-N 2.85Å; S313-L317 VanDerWaalsContact O-CB 3.28Å; S313-L317 WeakPolarHBondContact O-CB 3.33Å; S313-L317 PolarHBondContact O-N 2.85Å
314A89.8Confident88.6Confident51 Ų5163.5 Ų63.542%0.42134%0.342SS..Hα-helixtrans-67.1-42.4177.800000112.4L310 A311 E312 L317 N318L310-A314 WeakPolarHBondContact O-CB 3.35Å; L310-A314 PolarHBondContact O-N 3.15Å; A311-A314 PolarHBondContact O-N 3.28Å; E312-A314 VanDerWaalsContact C-N 3.34Å; E312-A314 PolarHBondContact O-N 2.84Å; A314-L317 PolarHBondContact O-N 3.31Å; A314-N318 PolarHBondContact O-N 2.85Å; A314-N318 PolarHBondContact O-ND2 3.28Å
315V89.4Confident89Confident41 Ų4170.2 Ų70.225%0.24836%0.36CS..Hα-helixtrans-63-48.3175.3171.40000110.5A311 E312 L317 N318 L319 F407A311-V315 WeakPolarHBondContact O-CG2 3.36Å; A311-V315 PolarHBondContact O-N 3.29Å; E312-V315 PolarHBondContact O-N 2.82Å; V315-L317 VanDerWaalsContact C-N 3.29Å; V315-L317 PolarHBondContact O-N 2.99Å; V315-N318 PolarHBondContact O-N 3.07Å; V315-L319 PolarHBondContact O-N 3.15Å; V315-F407 HydrophobicContact CB-CE2 4.27Å; V315-F407 HydrophobicContact CG2-CD2 4.11Å; V315-F407 HydrophobicContact CG2-CE2 3.9Å
316D90Very high89.3Confident44 Ų4475.7 Ų75.724%0.23539%0.389CS..Hα-helixtrans-62.5-36.3178.7-80.79000112.2E312 L319 K320 R362E312-D316 WeakPolarHBondContact O-CB 3.44Å; E312-D316 PolarHBondContact O-N 3.09Å; D316-L319 PolarHBondContact O-N 2.74Å; D316-K320 WeakPolarHBondContact O-CB 3.36Å; D316-K320 VanDerWaalsContact O-CG 3.26Å; D316-K320 WeakPolarHBondContact O-CG 3.33Å; D316-K320 PolarHBondContact O-N 2.91Å; D316-R362 IonicContact OD1-CZ 2.66Å; D316-R362 IonicContact OD1-NH2 3.74Å; D316-R362 PolarHBondContact OD1-NH2 2.87Å
317L90.8Very high89.4Confident82 Ų8275.5 Ų75.543%0.42939%0.387SS..Hα-helixtrans-62.4-42.8176-179.362.6000111.6S313 A314 V315 L319 K320 L321 W324S313-L317 VanDerWaalsContact O-CB 3.28Å; S313-L317 WeakPolarHBondContact O-CB 3.33Å; S313-L317 PolarHBondContact O-N 2.85Å; A314-L317 PolarHBondContact O-N 3.31Å; V315-L317 VanDerWaalsContact C-N 3.29Å; V315-L317 PolarHBondContact O-N 2.99Å; L317-L319 VanDerWaalsContact C-N 3.31Å; L317-L319 PolarHBondContact O-N 3.47Å; L317-K320 PolarHBondContact O-N 2.91Å; L317-L321 HydrophobicContact CD1-CG 4.37Å; L317-L321 HydrophobicContact CG-CD1 4.32Å; L317-L321 HydrophobicContact CG-CG 4.41Å; L317-L321 VanDerWaalsContact O-CG 3.3Å; L317-L321 WeakPolarHBondContact O-CG 3.47Å; L317-L321 PolarHBondContact O-N 3.29Å; L317-W324 HydrophobicContact CD1-CH2 4.49Å; L317-W324 HydrophobicContact CD1-CZ3 4.16Å
318N92.6Very high89.4Confident106 Ų10675.9 Ų75.957%0.56739%0.389SS*.Hα-helixtrans-58.7-43.3177.8-77.3-46.4000112.1A314 V315 L321 M322A314-N318 PolarHBondContact O-N 2.85Å; A314-N318 PolarHBondContact O-ND2 3.28Å; V315-N318 PolarHBondContact O-N 3.07Å; N318-L321 PolarHBondContact O-N 3.38Å; N318-M322 PolarHBondContact O-N 3.26Å
319L92.1Very high89.5Confident11 Ų1176.9 Ų76.96%0.05839%0.393CS..Hα-helixtrans-66.4-42.7175.8-64.9178000112.1V315 D316 L317 L321 M322 K323 L332 A358 W359V315-L319 PolarHBondContact O-N 3.15Å; D316-L319 PolarHBondContact O-N 2.74Å; L317-L319 VanDerWaalsContact C-N 3.31Å; L317-L319 PolarHBondContact O-N 3.47Å; L319-L321 VanDerWaalsContact C-N 3.28Å; L319-L321 PolarHBondContact O-N 3.02Å; L319-M322 HydrophobicContact CD2-CE 3.35Å; L319-M322 WeakPolarHBondContact O-CB 3.47Å; L319-M322 PolarHBondContact O-N 3.25Å; L319-K323 PolarHBondContact O-N 3.3Å; L319-L332 HydrophobicContact CB-CD1 3.89Å; L319-L332 HydrophobicContact CB-CD2 3.84Å; L319-L332 HydrophobicContact CB-CG 4.48Å; L319-A358 WeakPolarHBondContact CD2-O 3.16Å; L319-W359 HydrophobicContact CD2-CE3 4.36Å
320K92.3Very high89.8Confident86 Ų8673.5 Ų73.537%0.37438%0.378SS..Hα-helixtrans-61.7-35.6175.6-73.4166.7-173.7163.20111.9D316 L317 K323 W324 L332D316-K320 WeakPolarHBondContact O-CB 3.36Å; D316-K320 VanDerWaalsContact O-CG 3.26Å; D316-K320 WeakPolarHBondContact O-CG 3.33Å; D316-K320 PolarHBondContact O-N 2.91Å; L317-K320 PolarHBondContact O-N 2.91Å; K320-K323 WeakPolarHBondContact O-CB 3.04Å; K320-K323 PolarHBondContact O-N 3.13Å; K320-W324 HydrophobicContact CB-CD2 4.35Å; K320-W324 HydrophobicContact CB-CE3 4.5Å; K320-W324 HydrophobicContact CB-CH2 4.11Å; K320-W324 HydrophobicContact CB-CZ2 3.94Å; K320-W324 HydrophobicContact CB-CZ3 4.38Å; K320-W324 HydrophobicContact CD-CH2 4.44Å; K320-W324 HydrophobicContact CD-CZ2 4.27Å; K320-W324 HydrophobicContact CG-CZ2 4.37Å; K320-W324 PolarHBondContact O-N 3.08Å; K320-L332 HydrophobicContact CB-CD1 4.48Å; K320-L332 HydrophobicContact CG-CD1 3.95Å
321L92.4Very high90Very high45 Ų4573.9 Ų73.924%0.23638%0.377CS..Hα-helixtrans-63.7-39.3175.3-72.8172.5000112.1L317 N318 L319 W324 R325L317-L321 HydrophobicContact CD1-CG 4.37Å; L317-L321 HydrophobicContact CG-CD1 4.32Å; L317-L321 HydrophobicContact CG-CG 4.41Å; L317-L321 VanDerWaalsContact O-CG 3.3Å; L317-L321 WeakPolarHBondContact O-CG 3.47Å; L317-L321 PolarHBondContact O-N 3.29Å; N318-L321 PolarHBondContact O-N 3.38Å; L319-L321 VanDerWaalsContact C-N 3.28Å; L319-L321 PolarHBondContact O-N 3.02Å; L321-W324 HydrophobicContact CD2-CE3 4.21Å; L321-W324 PolarHBondContact O-N 3.4Å; L321-R325 VanDerWaalsContact O-CB 3.26Å; L321-R325 WeakPolarHBondContact O-CB 3.1Å; L321-R325 WeakPolarHBondContact O-CG 3.45Å; L321-R325 PolarHBondContact O-N 3.04Å
322M91.6Very high90.2Very high62 Ų6273.5 Ų73.531%0.30537%0.369SS..Hα-helixtrans-60.4-46.5172.2-67.3-166.7-68.600111.2N318 L319 L326 M327 W359N318-M322 PolarHBondContact O-N 3.26Å; L319-M322 HydrophobicContact CD2-CE 3.35Å; L319-M322 WeakPolarHBondContact O-CB 3.47Å; L319-M322 PolarHBondContact O-N 3.25Å; M322-L326 WeakPolarHBondContact O-CB 3.36Å; M322-L326 PolarHBondContact O-N 2.93Å; M322-M327 PolarHBondContact O-N 3.44Å; M322-W359 HydrophobicContact CE-CE3 4.33Å; M322-W359 HydrophobicContact CE-CH2 4.17Å; M322-W359 HydrophobicContact CE-CZ3 3.86Å
323K91.6Very high90.3Very high60 Ų6073.1 Ų73.126%0.26137%0.374SS..Hα-helixtrans-57.9-52.2176.4-177.4-170.6174.583.20111.4L319 K320 M327 P328 L330 L332L319-K323 PolarHBondContact O-N 3.3Å; K320-K323 WeakPolarHBondContact O-CB 3.04Å; K320-K323 PolarHBondContact O-N 3.13Å; K323-M327 VanDerWaalsContact CA-O 3.29Å; K323-M327 WeakPolarHBondContact CA-O 3.39Å; K323-M327 CarbonylContact O-C 3.53Å; K323-M327 PolarHBondContact O-N 3.33Å; K323-P328 VanDerWaalsContact CE-O 3.26Å; K323-P328 WeakPolarHBondContact CE-O 3.42Å; K323-P328 PolarHBondContact NZ-O 3.22Å; K323-P328 WeakPolarHBondContact O-CA 3.27Å; K323-L330 HydrophobicContact CB-CB 4.32Å; K323-L330 HydrophobicContact CB-CD2 4.38Å; K323-L330 HydrophobicContact CG-CB 4.26Å; K323-L330 PolarHBondContact NZ-O 3.29Å; K323-L332 HydrophobicContact CB-CD1 4.28Å; K323-L332 HydrophobicContact CD-CD1 4.46Å
324W90.9Very high90.6Very high161 Ų16171.2 Ų71.261%0.6136%0.359SS*.Hα-helixtrans-71-35.5-173.7-61.1-24.8000113.9L317 K320 L321L317-W324 HydrophobicContact CD1-CH2 4.49Å; L317-W324 HydrophobicContact CD1-CZ3 4.16Å; K320-W324 HydrophobicContact CB-CD2 4.35Å; K320-W324 HydrophobicContact CB-CE3 4.5Å; K320-W324 HydrophobicContact CB-CH2 4.11Å; K320-W324 HydrophobicContact CB-CZ2 3.94Å; K320-W324 HydrophobicContact CB-CZ3 4.38Å; K320-W324 HydrophobicContact CD-CH2 4.44Å; K320-W324 HydrophobicContact CD-CZ2 4.27Å; K320-W324 HydrophobicContact CG-CZ2 4.37Å; K320-W324 PolarHBondContact O-N 3.08Å; L321-W324 HydrophobicContact CD2-CE3 4.21Å; L321-W324 PolarHBondContact O-N 3.4Å
325R91Very high90.8Very high192 Ų19268.8 Ų68.873%0.72534%0.339SS*.Hα-helixtrans-91.9-32.3-173.8-65.8-179.3175.7177.5-0.3113.6L321L321-R325 VanDerWaalsContact O-CB 3.26Å; L321-R325 WeakPolarHBondContact O-CB 3.1Å; L321-R325 WeakPolarHBondContact O-CG 3.45Å; L321-R325 PolarHBondContact O-N 3.04Å
326L89.2Confident91Very high138 Ų13872.4 Ų72.472%0.72335%0.348SS*.THydrogen-bonded Turntrans-125.9-42.8-167.4-59.8175.3000113.2M322M322-L326 WeakPolarHBondContact O-CB 3.36Å; M322-L326 PolarHBondContact O-N 2.93Å
327M87.3Confident91.2Very high32 Ų3273.2 Ų73.216%0.15835%0.352CS..  trans-135.278.5-172.2-62.7-176.4-73.200112.4M322 K323 D329 L330 L625M322-M327 PolarHBondContact O-N 3.44Å; K323-M327 VanDerWaalsContact CA-O 3.29Å; K323-M327 WeakPolarHBondContact CA-O 3.39Å; K323-M327 CarbonylContact O-C 3.53Å; K323-M327 PolarHBondContact O-N 3.33Å; M327-D329 PolarHBondContact O-N 2.97Å; M327-D329 VanDerWaalsContact O-N 3.14Å; M327-L330 HydrophobicContact CB-CB 4.09Å; M327-L330 HydrophobicContact CE-CD2 4.24Å; M327-L330 WeakPolarHBondContact O-CB 3.45Å; M327-L330 PolarHBondContact O-N 3.05Å; M327-L625 HydrophobicContact CE-CD2 4.08Å; M327-L625 HydrophobicContact SD-CD2 3.6Å; M327-L625 HydrophobicContact SD-CG 4.16Å
328P87.6Confident91.5Very high94 Ų9469.3 Ų69.361%0.6133%0.332SS*.THydrogen-bonded Turntrans-59.2-28.4-173-27.336.5000115.3K323 L330K323-P328 VanDerWaalsContact CE-O 3.26Å; K323-P328 WeakPolarHBondContact CE-O 3.42Å; K323-P328 PolarHBondContact NZ-O 3.22Å; K323-P328 WeakPolarHBondContact O-CA 3.27Å; P328-L330 VanDerWaalsContact C-N 3.34Å
329D87.4Confident91.8Very high79 Ų7967.9 Ų67.942%0.42232%0.321SS..THydrogen-bonded Turntrans-80-9.8179.364.9-31.3000113.9M327 K331 S624M327-D329 PolarHBondContact O-N 2.97Å; M327-D329 VanDerWaalsContact O-N 3.14Å; D329-K331 WeakPolarHBondContact O-CG 3.35Å; D329-K331 PolarHBondContact O-N 3.35Å; D329-S624 VanDerWaalsContact OD1-CB 3.29Å; D329-S624 WeakPolarHBondContact OD1-CB 3.35Å; D329-S624 PolarHBondContact OD1-OG 2.86Å; D329-S624 VanDerWaalsContact OD2-CB 3.31Å; D329-S624 WeakPolarHBondContact OD2-CB 3.29Å; D329-S624 PolarHBondContact OD2-OG 3.22Å
330L90.3Very high92.1Very high3 Ų367.3 Ų67.32%0.01632%0.318CS..  trans-56.9120.6179.1-174.669.2000111.9K323 M327 P328 L332 F335 W359 Q599 L625K323-L330 HydrophobicContact CB-CB 4.32Å; K323-L330 HydrophobicContact CB-CD2 4.38Å; K323-L330 HydrophobicContact CG-CB 4.26Å; K323-L330 PolarHBondContact NZ-O 3.29Å; M327-L330 HydrophobicContact CB-CB 4.09Å; M327-L330 HydrophobicContact CE-CD2 4.24Å; M327-L330 WeakPolarHBondContact O-CB 3.45Å; M327-L330 PolarHBondContact O-N 3.05Å; P328-L330 VanDerWaalsContact C-N 3.34Å; L330-L332 HydrophobicContact CD2-CD2 3.48Å; L330-L332 VanDerWaalsContact CD2-CD2 3.48Å; L330-L332 HydrophobicContact CD2-CG 4.26Å; L330-L332 HydrophobicContact CG-CD2 3.86Å; L330-L332 HydrophobicContact CG-CG 4.36Å; L330-L332 PolarHBondContact O-N 2.97Å; L330-F335 HydrophobicContact CD1-CE2 3.91Å; L330-F335 HydrophobicContact CD1-CZ 4.04Å; L330-F335 HydrophobicContact CG-CE2 4.41Å; L330-W359 HydrophobicContact CD1-CZ3 4.21Å; L330-W359 HydrophobicContact CD2-CZ3 4.11Å; L330-Q599 HydrophobicContact CD1-CG 4.12Å; L330-L625 HydrophobicContact CD1-CD1 4.32Å
331K91.2Very high92.4Very high87 Ų8763.2 Ų63.238%0.37830%0.3SS..  trans-94.278.5-177.4-55.6172.3-174.9165.10111.2D329 S333 V334 Q599D329-K331 WeakPolarHBondContact O-CG 3.35Å; D329-K331 PolarHBondContact O-N 3.35Å; K331-S333 VanDerWaalsContact C-N 3.27Å; K331-S333 PolarHBondContact O-N 2.99Å; K331-V334 HydrophobicContact CB-CB 4.49Å; K331-V334 HydrophobicContact CB-CG2 3.69Å; K331-V334 HydrophobicContact CD-CG2 4.36Å; K331-V334 WeakPolarHBondContact O-CB 3.49Å; K331-V334 PolarHBondContact O-N 3.49Å; K331-V334 VanDerWaalsContact O-N 3.13Å; K331-Q599 PolarHBondContact O-NE2 3.03Å
332L91.4Very high92.7Very high31 Ų3161.1 Ų61.116%0.16229%0.289CS..Hα-helixtrans-59.8-31.7-175.8-64.4176.3000114.6L319 K320 K323 L330 V334 F335 R336L319-L332 HydrophobicContact CB-CD1 3.89Å; L319-L332 HydrophobicContact CB-CD2 3.84Å; L319-L332 HydrophobicContact CB-CG 4.48Å; K320-L332 HydrophobicContact CB-CD1 4.48Å; K320-L332 HydrophobicContact CG-CD1 3.95Å; K323-L332 HydrophobicContact CB-CD1 4.28Å; K323-L332 HydrophobicContact CD-CD1 4.46Å; L330-L332 HydrophobicContact CD2-CD2 3.48Å; L330-L332 VanDerWaalsContact CD2-CD2 3.48Å; L330-L332 HydrophobicContact CD2-CG 4.26Å; L330-L332 HydrophobicContact CG-CD2 3.86Å; L330-L332 HydrophobicContact CG-CG 4.36Å; L330-L332 PolarHBondContact O-N 2.97Å; L332-V334 PolarHBondContact O-N 3.43Å; L332-F335 HydrophobicContact CD2-CD2 4.25Å; L332-F335 HydrophobicContact CD2-CE2 4.23Å; L332-F335 PolarHBondContact O-N 2.9Å; L332-R336 PolarHBondContact O-N 3.34Å
333S91.1Very high93Very high61 Ų6158.2 Ų58.243%0.42728%0.275SS..Hα-helixtrans-60.4-33177.953.10000112.3K331 F335 R336 D337K331-S333 VanDerWaalsContact C-N 3.27Å; K331-S333 PolarHBondContact O-N 2.99Å; S333-F335 VanDerWaalsContact C-N 3.32Å; S333-F335 PolarHBondContact O-N 3.4Å; S333-R336 PolarHBondContact O-N 2.74Å; S333-D337 WeakPolarHBondContact O-CB 3.35Å; S333-D337 PolarHBondContact O-N 2.97Å
334V93.6Very high93.3Very high29 Ų2955.7 Ų55.718%0.17627%0.266CS..Hα-helixtrans-58.7-45.5179.11790000110.3K331 L332 T338 L598K331-V334 HydrophobicContact CB-CB 4.49Å; K331-V334 HydrophobicContact CB-CG2 3.69Å; K331-V334 HydrophobicContact CD-CG2 4.36Å; K331-V334 WeakPolarHBondContact O-CB 3.49Å; K331-V334 PolarHBondContact O-N 3.49Å; K331-V334 VanDerWaalsContact O-N 3.13Å; L332-V334 PolarHBondContact O-N 3.43Å; V334-T338 WeakPolarHBondContact O-CB 3.44Å; V334-T338 PolarHBondContact O-N 2.92Å; V334-T338 PolarHBondContact O-OG1 3.18Å; V334-L598 HydrophobicContact CG1-CB 3.92Å; V334-L598 HydrophobicContact CG1-CD1 4.37Å
335F94Very high93.5Very high1 Ų148 Ų480%0.00424%0.237CC..Hα-helixtrans-67.9-42.6179.7-48.8-46.5000112.1L330 L332 S333 D337 T338 W359 V361 V595 L598 Q599L330-F335 HydrophobicContact CD1-CE2 3.91Å; L330-F335 HydrophobicContact CD1-CZ 4.04Å; L330-F335 HydrophobicContact CG-CE2 4.41Å; L332-F335 HydrophobicContact CD2-CD2 4.25Å; L332-F335 HydrophobicContact CD2-CE2 4.23Å; L332-F335 PolarHBondContact O-N 2.9Å; S333-F335 VanDerWaalsContact C-N 3.32Å; S333-F335 PolarHBondContact O-N 3.4Å; F335-D337 VanDerWaalsContact C-N 3.27Å; F335-D337 PolarHBondContact O-N 3.42Å; F335-T338 PolarHBondContact O-N 3.49Å; F335-W359 AromaticContact CD2-CE3 3.9Å; F335-W359 HydrophobicContact CD2-CE3 3.9Å; F335-W359 HydrophobicContact CD2-CZ3 4.43Å; F335-W359 AromaticContact CE2-CE3 3.56Å; F335-W359 HydrophobicContact CE2-CE3 3.56Å; F335-W359 AromaticContact CE2-CZ3 3.68Å; F335-W359 HydrophobicContact CE2-CZ3 3.68Å; F335-W359 HydrophobicContact CZ-CE3 4.16Å; F335-W359 HydrophobicContact CZ-CZ3 4.2Å; F335-V361 HydrophobicContact CB-CG2 4.34Å; F335-V361 WeakPolarHBondContact O-CA 3.34Å; F335-V595 HydrophobicContact CD1-CG2 4.4Å; F335-V595 HydrophobicContact CE1-CB 4.14Å; F335-V595 HydrophobicContact CE1-CG1 3.97Å; F335-V595 HydrophobicContact CE1-CG2 3.9Å; F335-V595 HydrophobicContact CZ-CB 4.32Å; F335-V595 HydrophobicContact CZ-CG1 3.66Å; F335-V595 HydrophobicContact CZ-CG2 4.19Å; F335-L598 HydrophobicContact CE1-CB 4.47Å; F335-Q599 HydrophobicContact CE1-CG 3.96Å; F335-Q599 VanDerWaalsContact CE1-NE2 3.29Å; F335-Q599 HydrophobicContact CZ-CG 3.58Å
336R93Very high93.7Very high117 Ų11739.6 Ų39.644%0.44221%0.21SC..Hα-helixtrans-57.4-43.3179.2-171.6-172.564-168.5-4.3111.7L332 S333 G360 R362L332-R336 PolarHBondContact O-N 3.34Å; S333-R336 PolarHBondContact O-N 2.74Å; R336-G360 WeakPolarHBondContact CA-O 3.25Å; R336-R362 HydrophobicContact CG-CG 3.59Å
337D94.5Very high93.9Very high60 Ų6033.4 Ų33.432%0.32118%0.178SC..Hα-helixtrans-89.1-16.8-172-54.7-18.9000112.4S333 F335S333-D337 WeakPolarHBondContact O-CB 3.35Å; S333-D337 PolarHBondContact O-N 2.97Å; F335-D337 VanDerWaalsContact C-N 3.27Å; F335-D337 PolarHBondContact O-N 3.42Å
338T97.3Very high94.3Very high1 Ų132.2 Ų32.21%0.00617%0.172CC..  trans-66.4130177.2-65.70000111.4V334 F335 D463 V464 L598V334-T338 WeakPolarHBondContact O-CB 3.44Å; V334-T338 PolarHBondContact O-N 2.92Å; V334-T338 PolarHBondContact O-OG1 3.18Å; F335-T338 PolarHBondContact O-N 3.49Å; T338-D463 HydrophobicContact CG2-CB 4.2Å; T338-V464 HydrophobicContact CG2-CG2 3.85Å; T338-L598 HydrophobicContact CG2-CD1 4.01Å
339K98.5Very high94.8Very high75 Ų7527.8 Ų27.833%0.32614%0.143SC..EExtended strand (participates in β ladder)trans-95119.2173.7-61.4178.8-176.4177.40111H363 E461 H462 D463 V464K339-H363 HydrophobicContact CB-CB 4.19Å; K339-H363 HydrophobicContact CG-CB 3.78Å; K339-E461 WeakPolarHBondContact CD-O 3.39Å; K339-H462 HydrophobicContact CB-CB 4.28Å; K339-D463 PolarHBondContact N-OD2 3.29Å; K339-D463 PolarHBondContact O-N 3.43Å; K339-V464 PolarHBondContact O-N 3Å
340C98.8Very high95.2Very high0 Ų024 Ų240%012%0.123CC..EExtended strand (participates in β ladder)trans-105.4126.8-179.5-65.80000111.5L356 H363 T365 H462 V464 F466C340-L356 HydrophobicContact CB-CD1 3.85Å; C340-H363 PolarHBondContact N-O 3.31Å; C340-T365 PolarHBondContact O-N 3.28Å; C340-H462 PolarHBondContact O-CD2 2.9Å; C340-V464 WeakPolarHBondContact CA-O 3.45Å; C340-F466 HydrophobicContact CB-CE2 4.4Å
341L98.8Very high95.6Very high0 Ų024.9 Ų24.90%013%0.128CC..EExtended strand (participates in β ladder)trans-101.8119.4169.5-175.563.8000109.3I343 T365 I367 L458 V459 H462 V464 I465 F466L341-I343 HydrophobicContact CD2-CD1 4.15Å; L341-I343 HydrophobicContact CD2-CG1 4.19Å; L341-I343 HydrophobicContact CG-CG1 4.07Å; L341-T365 CarbonylContact C-O 3.6Å; L341-T365 WeakPolarHBondContact CA-O 3.4Å; L341-T365 HydrophobicContact CD1-CG2 3.64Å; L341-I367 HydrophobicContact CD1-CD1 3.87Å; L341-I367 HydrophobicContact CD1-CG1 4.05Å; L341-I367 HydrophobicContact CD2-CD1 4.22Å; L341-I367 HydrophobicContact CG-CD1 4.36Å; L341-L458 HydrophobicContact CD1-CB 4.37Å; L341-L458 HydrophobicContact CD2-CB 4.02Å; L341-V459 HydrophobicContact CD2-CG2 4.01Å; L341-H462 HydrophobicContact CB-CB 3.86Å; L341-V464 PolarHBondContact N-O 3.35Å; L341-I465 HydrophobicContact CB-CD1 3.75Å; L341-I465 HydrophobicContact CD2-CD1 4.01Å; L341-I465 HydrophobicContact CD2-CG2 4.31Å; L341-I465 HydrophobicContact CG-CD1 4.49Å; L341-F466 PolarHBondContact O-N 2.96Å
342L98.7Very high95.9Very high0 Ų020.7 Ų20.70%011%0.11CC..EExtended strand (participates in β ladder)trans-102.1113.6174.2-59.7111.7000110.1V352 A353 L356 I364 T365 L366 I367 F466 L468L342-V352 HydrophobicContact CD2-CB 3.7Å; L342-V352 HydrophobicContact CD2-CG1 3.4Å; L342-A353 HydrophobicContact CD1-CB 4.46Å; L342-A353 HydrophobicContact CD2-CB 4.41Å; L342-L356 HydrophobicContact CD1-CD1 4.22Å; L342-L356 HydrophobicContact CD2-CD1 4.24Å; L342-I364 HydrophobicContact CD1-CG2 3.28Å; L342-T365 PolarHBondContact N-O 3.47Å; L342-L366 HydrophobicContact CB-CD2 4.5Å; L342-L366 HydrophobicContact CB-CG 4.47Å; L342-L366 HydrophobicContact CD1-CD2 4.42Å; L342-L366 HydrophobicContact CD1-CG 4.19Å; L342-L366 CarbonylContact O-C 3.5Å; L342-L366 WeakPolarHBondContact O-CA 3.37Å; L342-I367 PolarHBondContact O-N 2.95Å; L342-F466 HydrophobicContact CD2-CB 4.48Å; L342-F466 HydrophobicContact CG-CB 4.43Å; L342-L468 HydrophobicContact CB-CD1 4.31Å; L342-L468 HydrophobicContact CD2-CD1 3.68Å; L342-L468 HydrophobicContact CG-CD1 4.48Å
343I98.1Very high96.3Very high1 Ų119.2 Ų19.21%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-97.6100178.7-55.2-178.1000108L341 I367 I419 L455 I465 F466 L467 L468 T469 P478L341-I343 HydrophobicContact CD2-CD1 4.15Å; L341-I343 HydrophobicContact CD2-CG1 4.19Å; L341-I343 HydrophobicContact CG-CG1 4.07Å; I343-I367 HydrophobicContact CG1-CD1 4.43Å; I343-I419 HydrophobicContact CG2-CD1 3.26Å; I343-L455 HydrophobicContact CD1-CD1 4.12Å; I343-I465 HydrophobicContact CD1-CG2 3.59Å; I343-I465 HydrophobicContact CG1-CG2 4.2Å; I343-F466 WeakPolarHBondContact CB-O 3.36Å; I343-F466 PolarHBondContact N-O 3.31Å; I343-L467 HydrophobicContact CD1-CD2 3.92Å; I343-L468 CarbonylContact O-C 3.04Å; I343-L468 VanDerWaalsContact O-CA 3.31Å; I343-L468 WeakPolarHBondContact O-CA 3.45Å; I343-L468 WeakPolarHBondContact O-CB 3.1Å; I343-L468 PolarHBondContact O-N 3.39Å; I343-T469 HydrophobicContact CG2-CG2 3.89Å; I343-T469 PolarHBondContact O-N 2.94Å; I343-P478 HydrophobicContact CD1-CB 3.68Å; I343-P478 HydrophobicContact CD1-CG 3.94Å; I343-P478 HydrophobicContact CG2-CG 4.28Å
344G96Very high96.6Very high7 Ų721.2 Ų21.27%0.07210%0.1CC..  trans110.6116.5-170.900000111.7G349 I367G344-G349 VanDerWaalsContact O-CA 3.23Å; G344-G349 WeakPolarHBondContact O-CA 3.41Å; G344-I367 WeakPolarHBondContact CA-O 3.39Å; G344-I367 PolarHBondContact N-O 3.19Å
345A96.3Very high96.8Very high0 Ų023.3 Ų23.30%011%0.108CC..  trans-104.625.3177.500000112.3L366 D368 Y383 K395A345-L366 HydrophobicContact CB-CD2 4.23Å; A345-D368 WeakPolarHBondContact CA-OD2 3.39Å; A345-D368 HydrophobicContact CB-CB 3.67Å; A345-D368 PolarHBondContact N-OD2 3.1Å; A345-Y383 WeakPolarHBondContact CB-OH 3.33Å; A345-Y383 PolarHBondContact O-OH 3.15Å; A345-K395 HydrophobicContact CB-CB 4.14Å
346G93.9Very high97Very high15 Ų1523.2 Ų23.216%0.15511%0.107CC..SBendtrans-73.8-151.8171.400000113.5L348 G349 C350G346-L348 VanDerWaalsContact C-N 3.33Å; G346-L348 PolarHBondContact O-N 3.38Å; G346-G349 PolarHBondContact O-N 2.78Å; G346-C350 PolarHBondContact O-N 3.5Å; G346-C350 PolarHBondContact O-SG 3.01Å
347T94.4Very high97.2Very high9 Ų918.3 Ų18.36%0.0559%0.09CC..Hα-helixtrans-60.4-41-178-170.60000112.5N351 R379 L494 S583T347-N351 VanDerWaalsContact O-CG 3.29Å; T347-N351 PolarHBondContact O-N 3.2Å; T347-N351 PolarHBondContact O-ND2 2.88Å; T347-R379 WeakPolarHBondContact CB-O 3.36Å; T347-R379 PolarHBondContact OG1-O 3.17Å; T347-L494 HydrophobicContact CG2-CD1 3.87Å; T347-S583 WeakPolarHBondContact OG1-CB 3.26Å; T347-S583 PolarHBondContact OG1-OG 3.26Å
348L95.4Very high97.3Very high7 Ų718.4 Ų18.44%0.03710%0.099CC..Hα-helixtrans-66.7-50.5176.1-81.4173.9000111.6G346 C350 N351 V352 L468 A492 L494 A586 A587G346-L348 VanDerWaalsContact C-N 3.33Å; G346-L348 PolarHBondContact O-N 3.38Å; L348-C350 VanDerWaalsContact C-N 3.31Å; L348-C350 PolarHBondContact O-N 3.39Å; L348-N351 PolarHBondContact O-N 3.33Å; L348-V352 WeakPolarHBondContact O-CB 3.43Å; L348-V352 VanDerWaalsContact O-CG2 3.3Å; L348-V352 WeakPolarHBondContact O-CG2 3.45Å; L348-V352 PolarHBondContact O-N 3.4Å; L348-L468 HydrophobicContact CB-CB 3.94Å; L348-L468 HydrophobicContact CB-CD1 4.42Å; L348-L468 HydrophobicContact CB-CD2 4.16Å; L348-L468 HydrophobicContact CB-CG 4.4Å; L348-L468 HydrophobicContact CD1-CB 4.48Å; L348-L468 HydrophobicContact CD1-CD2 4.37Å; L348-A492 HydrophobicContact CD1-CB 4.06Å; L348-A492 VanDerWaalsContact CD1-O 3.28Å; L348-A492 WeakPolarHBondContact CD1-O 3.24Å; L348-A492 HydrophobicContact CD2-CB 4.19Å; L348-L494 HydrophobicContact CD1-CD1 4.23Å; L348-L494 HydrophobicContact CD1-CD2 4.36Å; L348-L494 HydrophobicContact CD1-CG 3.97Å; L348-L494 HydrophobicContact CD2-CD1 4.42Å; L348-L494 HydrophobicContact CD2-CD2 4.06Å; L348-L494 HydrophobicContact CD2-CG 4.42Å; L348-L494 HydrophobicContact CG-CD1 3.99Å; L348-L494 HydrophobicContact CG-CD2 4.36Å; L348-L494 HydrophobicContact CG-CG 4.18Å; L348-A586 HydrophobicContact CD2-CB 4.03Å; L348-A587 HydrophobicContact CD2-CB 4.4Å
349G97.1Very high97.3Very high0 Ų019.5 Ų19.50%010%0.103CC..Hα-helixtrans-54-47-179.700000112.9G344 G346 N351 A353G344-G349 VanDerWaalsContact O-CA 3.23Å; G344-G349 WeakPolarHBondContact O-CA 3.41Å; G346-G349 PolarHBondContact O-N 2.78Å; G349-N351 PolarHBondContact O-N 2.86Å; G349-A353 VanDerWaalsContact O-CB 3.24Å; G349-A353 WeakPolarHBondContact O-CB 3.26Å; G349-A353 PolarHBondContact O-N 2.59Å
350C97.7Very high97.2Very high0 Ų016.1 Ų16.10%09%0.089CC..Hα-helixtrans-60.8-46.7178.1-68.60000112.7G346 L348 R354 S381 L382G346-C350 PolarHBondContact O-N 3.5Å; G346-C350 PolarHBondContact O-SG 3.01Å; L348-C350 VanDerWaalsContact C-N 3.31Å; L348-C350 PolarHBondContact O-N 3.39Å; C350-R354 PolarHBondContact O-N 3.17Å; C350-S381 WeakPolarHBondContact CB-OG 3.48Å; C350-L382 HydrophobicContact CB-CB 4.34Å; C350-L382 HydrophobicContact CB-CD1 4.22Å; C350-L382 HydrophobicContact CB-CG 3.91Å
351N97.7Very high97.1Very high21 Ų2116.1 Ų16.111%0.1129%0.089CC..Hα-helixtrans-70.5-43.9-177.7-69.1-19.9000111.5T347 L348 G349 A353 R354 Q355 S381 S583 A587T347-N351 VanDerWaalsContact O-CG 3.29Å; T347-N351 PolarHBondContact O-N 3.2Å; T347-N351 PolarHBondContact O-ND2 2.88Å; L348-N351 PolarHBondContact O-N 3.33Å; G349-N351 PolarHBondContact O-N 2.86Å; N351-A353 VanDerWaalsContact C-N 3.34Å; N351-A353 PolarHBondContact O-N 3.15Å; N351-R354 PolarHBondContact O-N 3.33Å; N351-Q355 WeakPolarHBondContact O-CG 3.24Å; N351-Q355 PolarHBondContact O-N 3.25Å; N351-Q355 VanDerWaalsContact O-N 3.08Å; N351-S381 PolarHBondContact OD1-OG 2.92Å; N351-S583 PolarHBondContact ND2-OG 2.75Å; N351-A587 HydrophobicContact CB-CB 3.38Å
352V98.5Very high97Very high0 Ų017.2 Ų17.20%09%0.093CC..Hα-helixtrans-60.3-46176.6174.30000109.8L342 L348 R354 Q355 L356 F466 L468 A587 V591L342-V352 HydrophobicContact CD2-CB 3.7Å; L342-V352 HydrophobicContact CD2-CG1 3.4Å; L348-V352 WeakPolarHBondContact O-CB 3.43Å; L348-V352 VanDerWaalsContact O-CG2 3.3Å; L348-V352 WeakPolarHBondContact O-CG2 3.45Å; L348-V352 PolarHBondContact O-N 3.4Å; V352-R354 VanDerWaalsContact C-N 3.34Å; V352-R354 PolarHBondContact O-N 2.99Å; V352-Q355 PolarHBondContact O-N 3.19Å; V352-Q355 VanDerWaalsContact O-N 3.15Å; V352-L356 HydrophobicContact CG1-CD1 3.94Å; V352-L356 HydrophobicContact CG1-CG 4.16Å; V352-L356 VanDerWaalsContact O-CG 3.3Å; V352-L356 WeakPolarHBondContact O-CG 3.42Å; V352-L356 PolarHBondContact O-N 2.61Å; V352-F466 HydrophobicContact CG1-CD1 3.83Å; V352-F466 HydrophobicContact CG1-CD2 4.42Å; V352-F466 HydrophobicContact CG1-CE1 3.91Å; V352-F466 HydrophobicContact CG1-CE2 4.49Å; V352-F466 HydrophobicContact CG1-CG 4.09Å; V352-F466 HydrophobicContact CG1-CZ 4.24Å; V352-L468 HydrophobicContact CB-CD1 4.04Å; V352-L468 HydrophobicContact CG1-CD1 4.36Å; V352-L468 HydrophobicContact CG2-CD1 3.94Å; V352-L468 HydrophobicContact CG2-CD2 4.23Å; V352-A587 HydrophobicContact CG2-CB 3.67Å; V352-V591 HydrophobicContact CB-CG2 4.34Å; V352-V591 HydrophobicContact CG1-CG2 3.67Å
353A98.6Very high97Very high0 Ų020.1 Ų20.10%011%0.107CC..Hα-helixtrans-60.4-40.5179.700000113.1L342 G349 N351 L356 L357 L382 L403L342-A353 HydrophobicContact CD1-CB 4.46Å; L342-A353 HydrophobicContact CD2-CB 4.41Å; G349-A353 VanDerWaalsContact O-CB 3.24Å; G349-A353 WeakPolarHBondContact O-CB 3.26Å; G349-A353 PolarHBondContact O-N 2.59Å; N351-A353 VanDerWaalsContact C-N 3.34Å; N351-A353 PolarHBondContact O-N 3.15Å; A353-L356 PolarHBondContact O-N 3.03Å; A353-L357 PolarHBondContact O-N 3.41Å; A353-L382 HydrophobicContact CB-CD1 4.17Å; A353-L403 HydrophobicContact CB-CD1 4.1Å; A353-L403 HydrophobicContact CB-CD2 3.9Å
354R98.2Very high97Very high102 Ų10220 Ų2039%0.38511%0.106SC..Hα-helixtrans-64.1-41.4174.3-76.5-172.3170.5-87.61.2112.6C350 N351 V352 L357 A358 S381 L382C350-R354 PolarHBondContact O-N 3.17Å; N351-R354 PolarHBondContact O-N 3.33Å; V352-R354 VanDerWaalsContact C-N 3.34Å; V352-R354 PolarHBondContact O-N 2.99Å; R354-L357 WeakPolarHBondContact O-CB 3.41Å; R354-L357 PolarHBondContact O-N 3.26Å; R354-A358 PolarHBondContact O-N 3.35Å; R354-S381 WeakPolarHBondContact CD-OG 3.44Å; R354-S381 PolarHBondContact NE-O 2.89Å; R354-S381 PolarHBondContact NE-OG 2.93Å; R354-S381 PolarHBondContact NH2-O 3.22Å; R354-L382 HydrophobicContact CG-CD2 4.03Å
355Q98Very high97.2Very high73 Ų7319.8 Ų19.834%0.34110%0.103SC..Hα-helixtrans-68.4-37.3177.9-66-62.988.900111.9N351 V352 A358 W359 V591N351-Q355 WeakPolarHBondContact O-CG 3.24Å; N351-Q355 PolarHBondContact O-N 3.25Å; N351-Q355 VanDerWaalsContact O-N 3.08Å; V352-Q355 PolarHBondContact O-N 3.19Å; V352-Q355 VanDerWaalsContact O-N 3.15Å; Q355-A358 WeakPolarHBondContact O-CB 3.43Å; Q355-A358 PolarHBondContact O-N 3.34Å; Q355-W359 PolarHBondContact O-N 2.99Å; Q355-W359 VanDerWaalsContact O-N 3.1Å; Q355-V591 HydrophobicContact CB-CB 4.03Å; Q355-V591 HydrophobicContact CB-CG1 4.12Å; Q355-V591 HydrophobicContact CB-CG2 3.75Å
356L98.3Very high97.3Very high0 Ų019.8 Ų19.80%010%0.103CC..Hα-helixtrans-61.4-44.8172.8-69.7173.8000111.5C340 L342 V352 A353 A358 W359 G360 V361 I364 F466 V591 M594C340-L356 HydrophobicContact CB-CD1 3.85Å; L342-L356 HydrophobicContact CD1-CD1 4.22Å; L342-L356 HydrophobicContact CD2-CD1 4.24Å; V352-L356 HydrophobicContact CG1-CD1 3.94Å; V352-L356 HydrophobicContact CG1-CG 4.16Å; V352-L356 VanDerWaalsContact O-CG 3.3Å; V352-L356 WeakPolarHBondContact O-CG 3.42Å; V352-L356 PolarHBondContact O-N 2.61Å; A353-L356 PolarHBondContact O-N 3.03Å; L356-A358 VanDerWaalsContact C-N 3.31Å; L356-A358 PolarHBondContact O-N 2.96Å; L356-W359 PolarHBondContact O-N 3.22Å; L356-G360 PolarHBondContact O-N 3.5Å; L356-V361 HydrophobicContact CB-CB 4.04Å; L356-V361 HydrophobicContact CB-CG1 4.5Å; L356-V361 HydrophobicContact CB-CG2 4.1Å; L356-V361 HydrophobicContact CD2-CG2 4Å; L356-V361 WeakPolarHBondContact O-CB 3.15Å; L356-V361 WeakPolarHBondContact O-CG2 3.2Å; L356-V361 PolarHBondContact O-N 3.46Å; L356-I364 HydrophobicContact CB-CD1 3.97Å; L356-F466 HydrophobicContact CD1-CE2 4.18Å; L356-F466 HydrophobicContact CD2-CE2 4.17Å; L356-F466 HydrophobicContact CD2-CZ 4.17Å; L356-V591 HydrophobicContact CD2-CG1 4.05Å; L356-V591 HydrophobicContact CD2-CG2 4.01Å; L356-V591 HydrophobicContact CG-CG2 4.04Å; L356-M594 HydrophobicContact CD2-CE 3.73Å; L356-M594 HydrophobicContact CD2-SD 3.78Å
357L96.7Very high97.5Very high14 Ų1419.2 Ų19.27%0.07310%0.097CC..Hα-helixtrans-58.2-43173.7-80.3-177.1000112.1A353 R354 W359 G360 I364 L403 I406 F407 V410A353-L357 PolarHBondContact O-N 3.41Å; R354-L357 WeakPolarHBondContact O-CB 3.41Å; R354-L357 PolarHBondContact O-N 3.26Å; L357-W359 VanDerWaalsContact C-N 3.27Å; L357-W359 PolarHBondContact O-N 2.74Å; L357-G360 PolarHBondContact O-N 3.03Å; L357-I364 HydrophobicContact CD2-CD1 4.15Å; L357-I364 HydrophobicContact CG-CD1 4.13Å; L357-L403 HydrophobicContact CD1-CB 4.3Å; L357-L403 HydrophobicContact CD1-CD2 3.35Å; L357-L403 HydrophobicContact CD1-CG 4.39Å; L357-L403 HydrophobicContact CG-CD2 3.99Å; L357-I406 HydrophobicContact CD1-CB 4.42Å; L357-I406 HydrophobicContact CD1-CG2 4.08Å; L357-F407 HydrophobicContact CD2-CD1 4.38Å; L357-V410 HydrophobicContact CD2-CB 3.78Å; L357-V410 HydrophobicContact CD2-CG1 4.37Å; L357-V410 HydrophobicContact CD2-CG2 3.6Å
358A97.1Very high97.5Very high62 Ų6219.6 Ų19.651%0.51210%0.098SC..Hα-helixtrans-62.6-33.1179.100000112.6L319 R354 Q355 L356 G360L319-A358 WeakPolarHBondContact CD2-O 3.16Å; R354-A358 PolarHBondContact O-N 3.35Å; Q355-A358 WeakPolarHBondContact O-CB 3.43Å; Q355-A358 PolarHBondContact O-N 3.34Å; L356-A358 VanDerWaalsContact C-N 3.31Å; L356-A358 PolarHBondContact O-N 2.96Å; A358-G360 VanDerWaalsContact C-N 3.26Å; A358-G360 PolarHBondContact O-N 3.01Å
359W96.6Very high97.4Very high24 Ų2423.4 Ų23.49%0.09112%0.119CC..THydrogen-bonded Turntrans-81.11.5172.9-89.3110.1000114.5L319 M322 L330 F335 Q355 L356 L357 E592 V595L319-W359 HydrophobicContact CD2-CE3 4.36Å; M322-W359 HydrophobicContact CE-CE3 4.33Å; M322-W359 HydrophobicContact CE-CH2 4.17Å; M322-W359 HydrophobicContact CE-CZ3 3.86Å; L330-W359 HydrophobicContact CD1-CZ3 4.21Å; L330-W359 HydrophobicContact CD2-CZ3 4.11Å; F335-W359 AromaticContact CD2-CE3 3.9Å; F335-W359 HydrophobicContact CD2-CE3 3.9Å; F335-W359 HydrophobicContact CD2-CZ3 4.43Å; F335-W359 AromaticContact CE2-CE3 3.56Å; F335-W359 HydrophobicContact CE2-CE3 3.56Å; F335-W359 AromaticContact CE2-CZ3 3.68Å; F335-W359 HydrophobicContact CE2-CZ3 3.68Å; F335-W359 HydrophobicContact CZ-CE3 4.16Å; F335-W359 HydrophobicContact CZ-CZ3 4.2Å; Q355-W359 PolarHBondContact O-N 2.99Å; Q355-W359 VanDerWaalsContact O-N 3.1Å; L356-W359 PolarHBondContact O-N 3.22Å; L357-W359 VanDerWaalsContact C-N 3.27Å; L357-W359 PolarHBondContact O-N 2.74Å; W359-E592 PolarHBondContact NE1-OE1 2.98Å; W359-V595 HydrophobicContact CD2-CG2 3.88Å; W359-V595 HydrophobicContact CG-CG2 3.89Å; W359-V595 HydrophobicContact CH2-CG1 4.1Å; W359-V595 HydrophobicContact CZ2-CG1 3.94Å; W359-V595 HydrophobicContact CZ3-CG1 4.44Å
360G95.7Very high97.2Very high3 Ų325 Ų253%0.03113%0.13CC..THydrogen-bonded Turntrans85.31417600000115R336 L356 L357 A358 R362R336-G360 WeakPolarHBondContact CA-O 3.25Å; L356-G360 PolarHBondContact O-N 3.5Å; L357-G360 PolarHBondContact O-N 3.03Å; A358-G360 VanDerWaalsContact C-N 3.26Å; A358-G360 PolarHBondContact O-N 3.01Å; G360-R362 PolarHBondContact O-N 3.29Å
361V97.6Very high97.1Very high0 Ų028.3 Ų28.30%015%0.15CC..  trans-64.1129.3174179.10000109.6F335 L356 I364 M594F335-V361 HydrophobicContact CB-CG2 4.34Å; F335-V361 WeakPolarHBondContact O-CA 3.34Å; L356-V361 HydrophobicContact CB-CB 4.04Å; L356-V361 HydrophobicContact CB-CG1 4.5Å; L356-V361 HydrophobicContact CB-CG2 4.1Å; L356-V361 HydrophobicContact CD2-CG2 4Å; L356-V361 WeakPolarHBondContact O-CB 3.15Å; L356-V361 WeakPolarHBondContact O-CG2 3.2Å; L356-V361 PolarHBondContact O-N 3.46Å; V361-I364 HydrophobicContact CG1-CG1 4.03Å; V361-M594 HydrophobicContact CG2-CE 4.2Å
362R96.6Very high96.9Very high24 Ų2427.8 Ų27.89%0.09115%0.148CC..  trans-103.5-18.3-176.5-59.3-63.6176.7-127.75.5113.7D316 R336 G360 V410 N411D316-R362 IonicContact OD1-CZ 2.66Å; D316-R362 IonicContact OD1-NH2 3.74Å; D316-R362 PolarHBondContact OD1-NH2 2.87Å; R336-R362 HydrophobicContact CG-CG 3.59Å; G360-R362 PolarHBondContact O-N 3.29Å; R362-V410 WeakPolarHBondContact O-CG2 3.47Å; R362-N411 WeakPolarHBondContact O-CA 3.47Å; R362-N411 PolarHBondContact O-N 3.49Å
363H98.5Very high96.6Very high60 Ų6029.8 Ų29.828%0.27816%0.162SC..EExtended strand (participates in β ladder)trans-117.4103-174.4-61.9-69.7000110.8K339 C340K339-H363 HydrophobicContact CB-CB 4.19Å; K339-H363 HydrophobicContact CG-CB 3.78Å; C340-H363 PolarHBondContact N-O 3.31Å
364I98.7Very high96.4Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-126.5116.9-174.9-63.9-178.6000109.5L342 L356 L357 V361 L366 L403 V410 N411 A412 R413L342-I364 HydrophobicContact CD1-CG2 3.28Å; L356-I364 HydrophobicContact CB-CD1 3.97Å; L357-I364 HydrophobicContact CD2-CD1 4.15Å; L357-I364 HydrophobicContact CG-CD1 4.13Å; V361-I364 HydrophobicContact CG1-CG1 4.03Å; I364-L366 HydrophobicContact CG2-CD1 4.01Å; I364-L366 HydrophobicContact CG2-CG 4.37Å; I364-L403 HydrophobicContact CB-CD1 4.27Å; I364-L403 HydrophobicContact CD1-CD1 4.34Å; I364-L403 HydrophobicContact CG2-CD1 3.71Å; I364-V410 HydrophobicContact CD1-CG2 4.33Å; I364-V410 HydrophobicContact CG1-CG2 4.43Å; I364-N411 PolarHBondContact N-O 2.91Å; I364-N411 VanDerWaalsContact N-O 3.08Å; I364-A412 CarbonylContact O-C 3.55Å; I364-A412 WeakPolarHBondContact O-CA 3.34Å; I364-R413 PolarHBondContact O-N 3.02Å
365T98.8Very high96.1Very high2 Ų234.7 Ų34.71%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-113.1130.1172.9-58.90000109.8C340 L341 L342 R413 F415 L458 H462C340-T365 PolarHBondContact O-N 3.28Å; L341-T365 CarbonylContact C-O 3.6Å; L341-T365 WeakPolarHBondContact CA-O 3.4Å; L341-T365 HydrophobicContact CD1-CG2 3.64Å; L342-T365 PolarHBondContact N-O 3.47Å; T365-R413 CarbonylContact C-O 3.41Å; T365-R413 VanDerWaalsContact CA-O 3.31Å; T365-R413 WeakPolarHBondContact CA-O 3.46Å; T365-R413 HydrophobicContact CG2-CB 4.38Å; T365-R413 PolarHBondContact OG1-NE 2.71Å; T365-R413 PolarHBondContact OG1-NH2 3.25Å; T365-F415 HydrophobicContact CG2-CD2 3.51Å; T365-F415 HydrophobicContact CG2-CE2 3.5Å; T365-L458 HydrophobicContact CG2-CD2 4.35Å; T365-H462 WeakPolarHBondContact CB-NE2 3.49Å; T365-H462 PolarHBondContact OG1-CE1 2.94Å; T365-H462 PolarHBondContact OG1-NE2 3.4Å
366L98.6Very high95.8Very high0 Ų031.4 Ų31.40%018%0.179CC..EExtended strand (participates in β ladder)trans-109.8141.1178.1-58.4105.4000111L342 A345 I364 A396 A399 A400 L403 R413 G414 F415L342-L366 HydrophobicContact CB-CD2 4.5Å; L342-L366 HydrophobicContact CB-CG 4.47Å; L342-L366 HydrophobicContact CD1-CD2 4.42Å; L342-L366 HydrophobicContact CD1-CG 4.19Å; L342-L366 CarbonylContact O-C 3.5Å; L342-L366 WeakPolarHBondContact O-CA 3.37Å; A345-L366 HydrophobicContact CB-CD2 4.23Å; I364-L366 HydrophobicContact CG2-CD1 4.01Å; I364-L366 HydrophobicContact CG2-CG 4.37Å; L366-A396 HydrophobicContact CB-CB 4.29Å; L366-A399 HydrophobicContact CD1-CB 4.25Å; L366-A399 HydrophobicContact CD2-CB 3.78Å; L366-A400 HydrophobicContact CD1-CB 4.26Å; L366-L403 HydrophobicContact CD1-CD1 3.82Å; L366-R413 PolarHBondContact N-O 2.98Å; L366-G414 CarbonylContact O-C 3.53Å; L366-G414 WeakPolarHBondContact O-CA 3.22Å; L366-F415 PolarHBondContact O-N 3.32Å
367I97.9Very high95.6Very high2 Ų232.8 Ų32.81%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-122.6128.7172.4-63.2177.6000109L341 L342 I343 G344 F415 L417 L455 L458L341-I367 HydrophobicContact CD1-CD1 3.87Å; L341-I367 HydrophobicContact CD1-CG1 4.05Å; L341-I367 HydrophobicContact CD2-CD1 4.22Å; L341-I367 HydrophobicContact CG-CD1 4.36Å; L342-I367 PolarHBondContact O-N 2.95Å; I343-I367 HydrophobicContact CG1-CD1 4.43Å; G344-I367 WeakPolarHBondContact CA-O 3.39Å; G344-I367 PolarHBondContact N-O 3.19Å; I367-F415 WeakPolarHBondContact CA-O 3.38Å; I367-F415 HydrophobicContact CG1-CB 4.42Å; I367-L417 HydrophobicContact CD1-CD1 4.21Å; I367-L417 HydrophobicContact CG1-CD1 4.4Å; I367-L417 HydrophobicContact CG2-CB 3.85Å; I367-L417 HydrophobicContact CG2-CD1 4.43Å; I367-L455 HydrophobicContact CD1-CD1 3.62Å; I367-L458 HydrophobicContact CD1-CD1 3.68Å; I367-L458 HydrophobicContact CG1-CD1 4.2Å
368D96.1Very high95.5Very high17 Ų1738.2 Ų38.29%0.09122%0.221CC..  trans-162.6142.9172.9-157-69000109.7A345 S370 N394 K395 A396 F415 D416A345-D368 WeakPolarHBondContact CA-OD2 3.39Å; A345-D368 HydrophobicContact CB-CB 3.67Å; A345-D368 PolarHBondContact N-OD2 3.1Å; D368-S370 WeakPolarHBondContact OD1-CA 3.28Å; D368-S370 VanDerWaalsContact OD1-CB 3.25Å; D368-S370 WeakPolarHBondContact OD1-CB 3.38Å; D368-S370 PolarHBondContact OD1-N 2.92Å; D368-S370 PolarHBondContact OD1-OG 2.97Å; D368-N394 PolarHBondContact O-ND2 3.27Å; D368-N394 VanDerWaalsContact O-ND2 3.13Å; D368-K395 HydrophobicContact CB-CB 4.16Å; D368-A396 HydrophobicContact CB-CB 3.98Å; D368-F415 PolarHBondContact N-O 3.36Å; D368-D416 WeakPolarHBondContact O-CA 3.45Å
369N93.2Very high95.3Very high87 Ų8739.4 Ų39.447%0.46521%0.213SC..  trans-102.81.2178.469.2-17.8000113.5D416 S418N369-D416 WeakPolarHBondContact CA-OD1 3.32Å; N369-S418 WeakPolarHBondContact ND2-CB 3.49Å; N369-S418 PolarHBondContact ND2-OG 3.18Å
370S92.4Very high95.2Very high35 Ų3539 Ų3925%0.24521%0.212CC..  trans-102.3168.9-174.4750000112.1D368 K395D368-S370 WeakPolarHBondContact OD1-CA 3.28Å; D368-S370 VanDerWaalsContact OD1-CB 3.25Å; D368-S370 WeakPolarHBondContact OD1-CB 3.38Å; D368-S370 PolarHBondContact OD1-N 2.92Å; D368-S370 PolarHBondContact OD1-OG 2.97Å; S370-K395 WeakPolarHBondContact O-CB 3.2Å; S370-K395 PolarHBondContact O-N 3.47Å; S370-K395 VanDerWaalsContact OG-CD 3.25Å; S370-K395 WeakPolarHBondContact OG-CD 3.46Å; S370-K395 WeakPolarHBondContact OG-CE 3.47Å; S370-K395 PolarHBondContact OG-NZ 3.14Å
371T94.6Very high95.2Very high68 Ų6840.6 Ų40.642%0.41722%0.222SC..BIsolated β-bridgetrans-113.7152-173.761.10000110.4S373 V392 K393 K395T371-S373 PolarHBondContact O-N 3.2Å; T371-V392 HydrophobicContact CG2-CG1 3.2Å; T371-K393 VanDerWaalsContact CA-O 3.24Å; T371-K393 WeakPolarHBondContact CA-O 3.25Å; T371-K393 WeakPolarHBondContact CB-O 3.42Å; T371-K395 VanDerWaalsContact O-CE 3.3Å; T371-K395 WeakPolarHBondContact O-CE 3.21Å
372V94.2Very high95.2Very high11 Ų1141 Ų417%0.06722%0.224CC..  trans-68.5115179.2-174.40000109.9N376 Y383 D387 K393 K395 V398V372-N376 HydrophobicContact CG1-CB 4.33Å; V372-Y383 HydrophobicContact CG1-CD2 4.27Å; V372-Y383 HydrophobicContact CG1-CG 3.98Å; V372-Y383 HydrophobicContact CG2-CD1 3.85Å; V372-Y383 HydrophobicContact CG2-CD2 4.4Å; V372-Y383 HydrophobicContact CG2-CE1 4.09Å; V372-Y383 HydrophobicContact CG2-CG 4.03Å; V372-D387 HydrophobicContact CB-CB 4.39Å; V372-D387 HydrophobicContact CG1-CB 4Å; V372-D387 HydrophobicContact CG2-CB 4.41Å; V372-K393 PolarHBondContact N-O 2.86Å; V372-K395 HydrophobicContact CG2-CG 3.94Å; V372-V398 HydrophobicContact CG2-CB 4.48Å; V372-V398 HydrophobicContact CG2-CG2 4.44Å
373S93.3Very high95.2Very high42 Ų4240.2 Ų40.229%0.29422%0.222SC..  trans-98.8162.8176.477.70000112.1T371 S375 N376 P377 S388T371-S373 PolarHBondContact O-N 3.2Å; S373-S375 PolarHBondContact O-N 3.23Å; S373-S375 VanDerWaalsContact O-N 3.12Å; S373-S375 PolarHBondContact OG-OG 2.78Å; S373-N376 PolarHBondContact N-OD1 3.1Å; S373-N376 VanDerWaalsContact O-CB 3.28Å; S373-N376 WeakPolarHBondContact O-CB 3.38Å; S373-N376 PolarHBondContact O-N 2.9Å; S373-N376 PolarHBondContact OG-ND2 3.22Å; S373-N376 VanDerWaalsContact OG-ND2 3.08Å; S373-N376 PolarHBondContact OG-OD1 3.37Å; S373-P377 WeakPolarHBondContact O-CD 3.37Å; S373-S388 PolarHBondContact O-OG 3.48Å; S373-S388 VanDerWaalsContact O-OG 3.08Å
374F93.1Very high95.1Very high142 Ų14241.3 Ų41.362%0.62323%0.233SC*.THydrogen-bonded Turntrans-57-28.3-177.7-74.4-72.4000115N376 F385 S388 V389F374-N376 VanDerWaalsContact C-N 3.32Å; F374-F385 HydrophobicContact CD1-CE2 4.19Å; F374-F385 HydrophobicContact CE1-CE2 4.18Å; F374-S388 WeakPolarHBondContact CZ-O 3.27Å; F374-V389 HydrophobicContact CE1-CG2 3.85Å; F374-V389 HydrophobicContact CZ-CG2 4.46Å
375S91.8Very high95Very high62 Ų6248.1 Ų48.143%0.43426%0.262SS..THydrogen-bonded Turntrans-82.3-11.5179.263.30000113.2S373 V378S373-S375 PolarHBondContact O-N 3.23Å; S373-S375 VanDerWaalsContact O-N 3.12Å; S373-S375 PolarHBondContact OG-OG 2.78Å; S375-V378 VanDerWaalsContact O-CG2 3.27Å; S375-V378 WeakPolarHBondContact O-CG2 3.35Å
376N93.3Very high94.9Very high5 Ų551.4 Ų51.43%0.02729%0.285CS..SBendtrans-73.4-47-172.8-65.4166.6000114.1V372 S373 F374 V378 R379 Q380 Y383 K395V372-N376 HydrophobicContact CG1-CB 4.33Å; S373-N376 PolarHBondContact N-OD1 3.1Å; S373-N376 VanDerWaalsContact O-CB 3.28Å; S373-N376 WeakPolarHBondContact O-CB 3.38Å; S373-N376 PolarHBondContact O-N 2.9Å; S373-N376 PolarHBondContact OG-ND2 3.22Å; S373-N376 VanDerWaalsContact OG-ND2 3.08Å; S373-N376 PolarHBondContact OG-OD1 3.37Å; F374-N376 VanDerWaalsContact C-N 3.32Å; N376-V378 PolarHBondContact O-N 3.25Å; N376-R379 PolarHBondContact O-N 3.05Å; N376-Q380 HydrophobicContact CB-CB 4.45Å; N376-Q380 HydrophobicContact CB-CG 4.26Å; N376-Q380 PolarHBondContact ND2-NE2 3.13Å; N376-Q380 WeakPolarHBondContact O-CB 3.31Å; N376-Q380 PolarHBondContact O-N 3.27Å; N376-Y383 HydrophobicContact CB-CD2 4.3Å; N376-K395 WeakPolarHBondContact OD1-CE 3.3Å
377P94.2Very high94.7Very high29 Ų2952.4 Ų52.419%0.18829%0.291CS..THydrogen-bonded Turntrans-55-31.3-172.1-30.737.3000115.2S373 R379S373-P377 WeakPolarHBondContact O-CD 3.37Å; P377-R379 VanDerWaalsContact C-N 3.29Å; P377-R379 PolarHBondContact O-N 3.43Å
378V93.8Very high94.4Very high128 Ų12853 Ų5378%0.77630%0.295SS*.THydrogen-bonded Turntrans-75.5-13.4178.7-65.90000114.2S375 N376S375-V378 VanDerWaalsContact O-CG2 3.27Å; S375-V378 WeakPolarHBondContact O-CG2 3.35Å; N376-V378 PolarHBondContact O-N 3.25Å
379R93Very high94.2Very high86 Ų8655.5 Ų55.533%0.32531%0.311SS..THydrogen-bonded Turntrans-124.6-16.1-177.3-72.9177.8178.5-97.82.5114.1T347 N376 P377 T576 T578T347-R379 WeakPolarHBondContact CB-O 3.36Å; T347-R379 PolarHBondContact OG1-O 3.17Å; N376-R379 PolarHBondContact O-N 3.05Å; P377-R379 VanDerWaalsContact C-N 3.29Å; P377-R379 PolarHBondContact O-N 3.43Å; R379-T576 PolarHBondContact NH2-O 3.23Å; R379-T578 PolarHBondContact NH1-O 2.85Å
380Q94.9Very high93.9Very high15 Ų1555 Ų557%0.0733%0.326CS..SBendtrans-124.294-171.1-59.8-179.27.500107.7N376 L382 Y383N376-Q380 HydrophobicContact CB-CB 4.45Å; N376-Q380 HydrophobicContact CB-CG 4.26Å; N376-Q380 PolarHBondContact ND2-NE2 3.13Å; N376-Q380 WeakPolarHBondContact O-CB 3.31Å; N376-Q380 PolarHBondContact O-N 3.27Å; Q380-L382 PolarHBondContact O-N 3.25Å; Q380-Y383 HydrophobicContact CB-CD2 3.44Å; Q380-Y383 VanDerWaalsContact CB-CD2 3.44Å; Q380-Y383 HydrophobicContact CB-CE2 3.61Å; Q380-Y383 HydrophobicContact CG-CD2 4.42Å; Q380-Y383 HydrophobicContact CG-CE2 4.36Å; Q380-Y383 PolarHBondContact O-N 3.25Å; Q380-Y383 VanDerWaalsContact O-N 3.11Å
381S94.7Very high93.6Very high37 Ų3757.6 Ų57.626%0.25935%0.345SS..THydrogen-bonded Turntrans-67.34.5-161.861.10000116.9C350 N351 R354C350-S381 WeakPolarHBondContact CB-OG 3.48Å; N351-S381 PolarHBondContact OD1-OG 2.92Å; R354-S381 WeakPolarHBondContact CD-OG 3.44Å; R354-S381 PolarHBondContact NE-O 2.89Å; R354-S381 PolarHBondContact NE-OG 2.93Å; R354-S381 PolarHBondContact NH2-O 3.22Å
382L97.6Very high93.4Very high8 Ų860.2 Ų60.24%0.04236%0.36CS..THydrogen-bonded Turntrans-104-7.8175.7-65.4179.7000112.8C350 A353 R354 Q380 A399 A402 L403 I406C350-L382 HydrophobicContact CB-CB 4.34Å; C350-L382 HydrophobicContact CB-CD1 4.22Å; C350-L382 HydrophobicContact CB-CG 3.91Å; A353-L382 HydrophobicContact CB-CD1 4.17Å; R354-L382 HydrophobicContact CG-CD2 4.03Å; Q380-L382 PolarHBondContact O-N 3.25Å; L382-A399 HydrophobicContact CB-CB 4.49Å; L382-A399 HydrophobicContact CD1-CB 3.75Å; L382-A402 HydrophobicContact CB-CB 4.03Å; L382-A402 HydrophobicContact CD2-CB 4.25Å; L382-A402 WeakPolarHBondContact O-CB 3.32Å; L382-L403 HydrophobicContact CD1-CD2 4.24Å; L382-L403 HydrophobicContact CD1-CG 4.27Å; L382-L403 HydrophobicContact CD2-CD2 3.87Å; L382-L403 HydrophobicContact CD2-CG 4.36Å; L382-I406 HydrophobicContact CD2-CD1 3.83Å
383Y97.2Very high93.3Very high8 Ų862.7 Ų62.73%0.03137%0.37CS..  trans-108.2143.4-177.7-47.1-47.5000111A345 V372 N376 Q380 K395 V398 A399A345-Y383 WeakPolarHBondContact CB-OH 3.33Å; A345-Y383 PolarHBondContact O-OH 3.15Å; V372-Y383 HydrophobicContact CG1-CD2 4.27Å; V372-Y383 HydrophobicContact CG1-CG 3.98Å; V372-Y383 HydrophobicContact CG2-CD1 3.85Å; V372-Y383 HydrophobicContact CG2-CD2 4.4Å; V372-Y383 HydrophobicContact CG2-CE1 4.09Å; V372-Y383 HydrophobicContact CG2-CG 4.03Å; N376-Y383 HydrophobicContact CB-CD2 4.3Å; Q380-Y383 HydrophobicContact CB-CD2 3.44Å; Q380-Y383 VanDerWaalsContact CB-CD2 3.44Å; Q380-Y383 HydrophobicContact CB-CE2 3.61Å; Q380-Y383 HydrophobicContact CG-CD2 4.42Å; Q380-Y383 HydrophobicContact CG-CE2 4.36Å; Q380-Y383 PolarHBondContact O-N 3.25Å; Q380-Y383 VanDerWaalsContact O-N 3.11Å; Y383-K395 HydrophobicContact CE2-CD 4.12Å; Y383-K395 HydrophobicContact CE2-CG 4.24Å; Y383-K395 WeakPolarHBondContact OH-CB 3.35Å; Y383-K395 PolarHBondContact OH-O 2.84Å; Y383-V398 HydrophobicContact CD1-CB 4.29Å; Y383-V398 HydrophobicContact CD1-CG1 3.75Å; Y383-V398 HydrophobicContact CE1-CB 4.21Å; Y383-V398 HydrophobicContact CE1-CG1 4.13Å; Y383-A399 HydrophobicContact CE1-CB 4.03Å
384V96.8Very high93.5Very high84 Ų8461.4 Ų61.451%0.50936%0.36SS..  trans-111.7167.4171.6-670000110.5S386 D387V384-S386 WeakPolarHBondContact CG2-OG 3.12Å; V384-S386 PolarHBondContact O-N 3.41Å; V384-D387 WeakPolarHBondContact CG2-OD2 3.45Å; V384-D387 PolarHBondContact N-OD2 3.22Å; V384-D387 WeakPolarHBondContact O-CB 3.37Å; V384-D387 PolarHBondContact O-N 3.35Å
385F96.2Very high93.7Very high143 Ų14355.2 Ų55.263%0.62733%0.332SS*.G310 helixtrans-54.3-38.4-179.3173.6-103.4000113.1F374 D387 S388 V389F374-F385 HydrophobicContact CD1-CE2 4.19Å; F374-F385 HydrophobicContact CE1-CE2 4.18Å; F385-D387 PolarHBondContact O-N 3.49Å; F385-D387 VanDerWaalsContact O-N 3.14Å; F385-S388 PolarHBondContact O-N 2.95Å; F385-S388 VanDerWaalsContact O-N 3.07Å; F385-V389 HydrophobicContact CD1-CG2 4.21Å; F385-V389 HydrophobicContact CE1-CG2 3.68Å; F385-V389 HydrophobicContact CE2-CG2 4.1Å; F385-V389 HydrophobicContact CZ-CG2 3.62Å
386S95.4Very high93.9Very high71 Ų7152.2 Ų52.250%0.49731%0.312SS..G310 helixtrans-66.4-9.8177.552.30000114.4V384 K393V384-S386 WeakPolarHBondContact CG2-OG 3.12Å; V384-S386 PolarHBondContact O-N 3.41Å; S386-K393 PolarHBondContact O-NZ 2.76Å
387D95.2Very high94.1Very high21 Ų2156 Ų5611%0.11233%0.331CS..G310 helixtrans-85.9-19.3173.6-59.7-39.9000112.9V372 V384 F385 K393 V398V372-D387 HydrophobicContact CB-CB 4.39Å; V372-D387 HydrophobicContact CG1-CB 4Å; V372-D387 HydrophobicContact CG2-CB 4.41Å; V384-D387 WeakPolarHBondContact CG2-OD2 3.45Å; V384-D387 PolarHBondContact N-OD2 3.22Å; V384-D387 WeakPolarHBondContact O-CB 3.37Å; V384-D387 PolarHBondContact O-N 3.35Å; F385-D387 PolarHBondContact O-N 3.49Å; F385-D387 VanDerWaalsContact O-N 3.14Å; D387-K393 HydrophobicContact CB-CD 4.29Å; D387-K393 IonicContact OD1-NZ 2.92Å; D387-K393 PolarHBondContact OD1-NZ 3.35Å; D387-V398 HydrophobicContact CB-CG1 4.2Å
388S92.1Very high94.3Very high15 Ų1555 Ų5511%0.10533%0.325CS..SBendtrans-90.2-7.1174.6-48.10000113.2S373 F374 F385S373-S388 PolarHBondContact O-OG 3.48Å; S373-S388 VanDerWaalsContact O-OG 3.08Å; F374-S388 WeakPolarHBondContact CZ-O 3.27Å; F385-S388 PolarHBondContact O-N 2.95Å; F385-S388 VanDerWaalsContact O-N 3.07Å
389V90.7Very high94.5Very high68 Ų6848.9 Ų48.941%0.41229%0.288SS..SBendtrans-110.3135.5-173.91790000110.4F374 F385F374-V389 HydrophobicContact CE1-CG2 3.85Å; F374-V389 HydrophobicContact CZ-CG2 4.46Å; F385-V389 HydrophobicContact CD1-CG2 4.21Å; F385-V389 HydrophobicContact CE1-CG2 3.68Å; F385-V389 HydrophobicContact CE2-CG2 4.1Å; F385-V389 HydrophobicContact CZ-CG2 3.62Å
390G86.8Confident94.8Very high77 Ų7745 Ų4579%0.79427%0.274SS*.SBendtrans94-127.7174.900000112.3
391S87.2Confident94.9Very high90 Ų9049.9 Ų49.963%0.62930%0.297SS*.SBendtrans-67.4147.7178.954.30000111.3K393S391-K393 PolarHBondContact O-N 3.4Å
392V89.1Confident95.1Very high122 Ų12249 Ų4974%0.73929%0.292SS*.  trans-65.7116.9173.9178.80000108.6T371T371-V392 HydrophobicContact CG2-CG1 3.2Å
393K94Very high95.1Very high63 Ų6348.6 Ų48.627%0.27429%0.29SS..  trans-107.1129.3179.1-61.9178.5178.8170.60111T371 V372 S386 D387 S391 V398T371-K393 VanDerWaalsContact CA-O 3.24Å; T371-K393 WeakPolarHBondContact CA-O 3.25Å; T371-K393 WeakPolarHBondContact CB-O 3.42Å; V372-K393 PolarHBondContact N-O 2.86Å; S386-K393 PolarHBondContact O-NZ 2.76Å; D387-K393 HydrophobicContact CB-CD 4.29Å; D387-K393 IonicContact OD1-NZ 2.92Å; D387-K393 PolarHBondContact OD1-NZ 3.35Å; S391-K393 PolarHBondContact O-N 3.4Å; K393-V398 HydrophobicContact CB-CG2 3.58Å; K393-V398 HydrophobicContact CD-CG2 3.91Å; K393-V398 HydrophobicContact CG-CG2 4.29Å
394N95.8Very high95.1Very high15 Ų1552.6 Ų52.68%0.0831%0.309CS..BIsolated β-bridgetrans-68.8134.2174.7175.2-77.9000110.6D368 A396 L397 V398 D416D368-N394 PolarHBondContact O-ND2 3.27Å; D368-N394 VanDerWaalsContact O-ND2 3.13Å; N394-A396 PolarHBondContact O-N 3.08Å; N394-A396 WeakPolarHBondContact OD1-CB 3.49Å; N394-A396 PolarHBondContact OD1-N 2.97Å; N394-L397 HydrophobicContact CB-CD1 4.2Å; N394-L397 HydrophobicContact CB-CG 4.35Å; N394-L397 PolarHBondContact O-N 3.09Å; N394-L397 PolarHBondContact OD1-N 3.06Å; N394-V398 WeakPolarHBondContact O-CG2 3.34Å; N394-V398 PolarHBondContact O-N 3.37Å; N394-D416 WeakPolarHBondContact ND2-CB 3.26Å; N394-D416 PolarHBondContact ND2-OD1 3.14Å; N394-D416 PolarHBondContact ND2-OD2 3.31Å
395K97.2Very high95Very high12 Ų1254.2 Ų54.25%0.05232%0.319CS..Hα-helixtrans-59.7-44.3-176.5-79.7-166.6-170.4141.40113.5A345 D368 S370 T371 V372 N376 Y383 L397 V398 A399A345-K395 HydrophobicContact CB-CB 4.14Å; D368-K395 HydrophobicContact CB-CB 4.16Å; S370-K395 WeakPolarHBondContact O-CB 3.2Å; S370-K395 PolarHBondContact O-N 3.47Å; S370-K395 VanDerWaalsContact OG-CD 3.25Å; S370-K395 WeakPolarHBondContact OG-CD 3.46Å; S370-K395 WeakPolarHBondContact OG-CE 3.47Å; S370-K395 PolarHBondContact OG-NZ 3.14Å; T371-K395 VanDerWaalsContact O-CE 3.3Å; T371-K395 WeakPolarHBondContact O-CE 3.21Å; V372-K395 HydrophobicContact CG2-CG 3.94Å; N376-K395 WeakPolarHBondContact OD1-CE 3.3Å; Y383-K395 HydrophobicContact CE2-CD 4.12Å; Y383-K395 HydrophobicContact CE2-CG 4.24Å; Y383-K395 WeakPolarHBondContact OH-CB 3.35Å; Y383-K395 PolarHBondContact OH-O 2.84Å; K395-L397 PolarHBondContact O-N 3.11Å; K395-V398 PolarHBondContact O-N 3.38Å; K395-A399 WeakPolarHBondContact O-CB 3.5Å; K395-A399 PolarHBondContact O-N 2.9Å
396A97.6Very high95.1Very high0 Ų051 Ų510%031%0.307CS..Hα-helixtrans-64.9-40.6-175.800000112.2L366 D368 N394 A400 G414 F415L366-A396 HydrophobicContact CB-CB 4.29Å; D368-A396 HydrophobicContact CB-CB 3.98Å; N394-A396 PolarHBondContact O-N 3.08Å; N394-A396 WeakPolarHBondContact OD1-CB 3.49Å; N394-A396 PolarHBondContact OD1-N 2.97Å; A396-A400 PolarHBondContact O-N 3.14Å; A396-A400 VanDerWaalsContact O-N 3.15Å; A396-G414 WeakPolarHBondContact O-CA 3.2Å; A396-F415 WeakPolarHBondContact CB-O 3.36Å
397L97.5Very high95.1Very high83 Ų8348.2 Ų48.244%0.43529%0.286SS..Hα-helixtrans-65.6-50.6177.6-63.4178.6000111.4N394 K395 A399 A400 E401 G414N394-L397 HydrophobicContact CB-CD1 4.2Å; N394-L397 HydrophobicContact CB-CG 4.35Å; N394-L397 PolarHBondContact O-N 3.09Å; N394-L397 PolarHBondContact OD1-N 3.06Å; K395-L397 PolarHBondContact O-N 3.11Å; L397-A399 VanDerWaalsContact C-N 3.3Å; L397-A399 PolarHBondContact O-N 3.18Å; L397-A400 PolarHBondContact O-N 3.39Å; L397-A400 VanDerWaalsContact O-N 3.15Å; L397-E401 PolarHBondContact O-N 3.15Å; L397-E401 VanDerWaalsContact O-N 3.12Å; L397-G414 VanDerWaalsContact CD2-O 3.26Å; L397-G414 WeakPolarHBondContact CD2-O 3.45Å
398V97.6Very high94.9Very high8 Ų850.8 Ų50.85%0.04830%0.304CS..Hα-helixtrans-61.9-39.6178.6178.90000111.2V372 Y383 D387 K393 N394 K395 A400 E401 A402V372-V398 HydrophobicContact CG2-CB 4.48Å; V372-V398 HydrophobicContact CG2-CG2 4.44Å; Y383-V398 HydrophobicContact CD1-CB 4.29Å; Y383-V398 HydrophobicContact CD1-CG1 3.75Å; Y383-V398 HydrophobicContact CE1-CB 4.21Å; Y383-V398 HydrophobicContact CE1-CG1 4.13Å; D387-V398 HydrophobicContact CB-CG1 4.2Å; K393-V398 HydrophobicContact CB-CG2 3.58Å; K393-V398 HydrophobicContact CD-CG2 3.91Å; K393-V398 HydrophobicContact CG-CG2 4.29Å; N394-V398 WeakPolarHBondContact O-CG2 3.34Å; N394-V398 PolarHBondContact O-N 3.37Å; K395-V398 PolarHBondContact O-N 3.38Å; V398-A400 VanDerWaalsContact C-N 3.32Å; V398-A400 PolarHBondContact O-N 3.05Å; V398-E401 PolarHBondContact O-N 3.08Å; V398-A402 WeakPolarHBondContact O-CB 3.34Å; V398-A402 PolarHBondContact O-N 3.36Å
399A98.3Very high94.8Very high0 Ų051 Ų510%031%0.309CS..Hα-helixtrans-61.5-40.117700000112L366 L382 Y383 K395 L397 A402 L403L366-A399 HydrophobicContact CD1-CB 4.25Å; L366-A399 HydrophobicContact CD2-CB 3.78Å; L382-A399 HydrophobicContact CB-CB 4.49Å; L382-A399 HydrophobicContact CD1-CB 3.75Å; Y383-A399 HydrophobicContact CE1-CB 4.03Å; K395-A399 WeakPolarHBondContact O-CB 3.5Å; K395-A399 PolarHBondContact O-N 2.9Å; L397-A399 VanDerWaalsContact C-N 3.3Å; L397-A399 PolarHBondContact O-N 3.18Å; A399-A402 PolarHBondContact O-N 2.89Å; A399-L403 VanDerWaalsContact O-CG 3.31Å; A399-L403 WeakPolarHBondContact O-CG 3.29Å; A399-L403 PolarHBondContact O-N 3.19Å; A399-L403 VanDerWaalsContact O-N 3.08Å
400A98.3Very high95.1Very high5 Ų548.1 Ų48.14%0.04129%0.291CS..Hα-helixtrans-65.5-43.8176.800000112.1L366 A396 L397 V398 A402 L403 Q404 A412L366-A400 HydrophobicContact CD1-CB 4.26Å; A396-A400 PolarHBondContact O-N 3.14Å; A396-A400 VanDerWaalsContact O-N 3.15Å; L397-A400 PolarHBondContact O-N 3.39Å; L397-A400 VanDerWaalsContact O-N 3.15Å; V398-A400 VanDerWaalsContact C-N 3.32Å; V398-A400 PolarHBondContact O-N 3.05Å; A400-A402 VanDerWaalsContact C-N 3.34Å; A400-A402 PolarHBondContact O-N 3.43Å; A400-L403 PolarHBondContact O-N 2.86Å; A400-Q404 WeakPolarHBondContact O-CG 3.13Å; A400-Q404 PolarHBondContact O-N 3.01Å; A400-Q404 VanDerWaalsContact O-N 3.14Å; A400-A412 HydrophobicContact CB-CB 4.1Å
401E97.8Very high95.6Very high118 Ų11848.3 Ų48.355%0.55127%0.274SS*.Hα-helixtrans-62-40.7175.1-68.4173.7-176.400111.9L397 V398 L403 Q404 T405L397-E401 PolarHBondContact O-N 3.15Å; L397-E401 VanDerWaalsContact O-N 3.12Å; V398-E401 PolarHBondContact O-N 3.08Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 3.34Å; E401-Q404 PolarHBondContact O-N 3.36Å; E401-T405 WeakPolarHBondContact O-CB 3.43Å; E401-T405 PolarHBondContact O-N 2.84Å; E401-T405 PolarHBondContact O-OG1 2.93Å
402A98.2Very high96.1Very high18 Ų1844.2 Ų44.215%0.14925%0.246CC..Hα-helixtrans-62.4-40.5176.500000111.8L382 V398 A399 A400 T405 I406L382-A402 HydrophobicContact CB-CB 4.03Å; L382-A402 HydrophobicContact CD2-CB 4.25Å; L382-A402 WeakPolarHBondContact O-CB 3.32Å; V398-A402 WeakPolarHBondContact O-CB 3.34Å; V398-A402 PolarHBondContact O-N 3.36Å; A399-A402 PolarHBondContact O-N 2.89Å; A400-A402 VanDerWaalsContact C-N 3.34Å; A400-A402 PolarHBondContact O-N 3.43Å; A402-T405 WeakPolarHBondContact O-CB 3.28Å; A402-T405 PolarHBondContact O-N 2.84Å; A402-I406 WeakPolarHBondContact O-CD1 3.25Å; A402-I406 VanDerWaalsContact O-CG1 3.23Å; A402-I406 WeakPolarHBondContact O-CG1 3.33Å; A402-I406 PolarHBondContact O-N 2.84Å
403L98.1Very high96.6Very high0 Ų042.3 Ų42.30%023%0.225CC..Hα-helixtrans-64-43.4175.6-67.1170.2000111.9A353 L357 I364 L366 L382 A399 A400 E401 T405 I406 F407 V410 A412A353-L403 HydrophobicContact CB-CD1 4.1Å; A353-L403 HydrophobicContact CB-CD2 3.9Å; L357-L403 HydrophobicContact CD1-CB 4.3Å; L357-L403 HydrophobicContact CD1-CD2 3.35Å; L357-L403 HydrophobicContact CD1-CG 4.39Å; L357-L403 HydrophobicContact CG-CD2 3.99Å; I364-L403 HydrophobicContact CB-CD1 4.27Å; I364-L403 HydrophobicContact CD1-CD1 4.34Å; I364-L403 HydrophobicContact CG2-CD1 3.71Å; L366-L403 HydrophobicContact CD1-CD1 3.82Å; L382-L403 HydrophobicContact CD1-CD2 4.24Å; L382-L403 HydrophobicContact CD1-CG 4.27Å; L382-L403 HydrophobicContact CD2-CD2 3.87Å; L382-L403 HydrophobicContact CD2-CG 4.36Å; A399-L403 VanDerWaalsContact O-CG 3.31Å; A399-L403 WeakPolarHBondContact O-CG 3.29Å; A399-L403 PolarHBondContact O-N 3.19Å; A399-L403 VanDerWaalsContact O-N 3.08Å; A400-L403 PolarHBondContact O-N 2.86Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 3.34Å; L403-T405 VanDerWaalsContact C-N 3.27Å; L403-T405 PolarHBondContact O-N 3.49Å; L403-I406 PolarHBondContact O-N 3.49Å; L403-F407 PolarHBondContact O-N 3Å; L403-V410 HydrophobicContact CB-CG1 4.06Å; L403-A412 HydrophobicContact CB-CB 3.9Å; L403-A412 HydrophobicContact CD1-CB 3.97Å
404Q96.9Very high96.8Very high91 Ų9139.9 Ų39.943%0.42522%0.219SC..Hα-helixtrans-63.3-35.1175.9-67.7174.36.100112A400 E401 F407 P408 V410 A412A400-Q404 WeakPolarHBondContact O-CG 3.13Å; A400-Q404 PolarHBondContact O-N 3.01Å; A400-Q404 VanDerWaalsContact O-N 3.14Å; E401-Q404 PolarHBondContact O-N 3.36Å; Q404-F407 CarbonylContact O-C 3.5Å; Q404-F407 VanDerWaalsContact O-C 3.27Å; Q404-P408 WeakPolarHBondContact O-CA 3.43Å; Q404-V410 HydrophobicContact CG-CG1 4.09Å; Q404-A412 HydrophobicContact CG-CB 4.23Å; Q404-A412 PolarHBondContact NE2-O 2.86Å
405T96.3Very high96.9Very high118 Ų11841.5 Ų41.572%0.72423%0.225SC*.Hα-helixtrans-67.8-39.4175-57.10000111.8E401 A402 L403E401-T405 WeakPolarHBondContact O-CB 3.43Å; E401-T405 PolarHBondContact O-N 2.84Å; E401-T405 PolarHBondContact O-OG1 2.93Å; A402-T405 WeakPolarHBondContact O-CB 3.28Å; A402-T405 PolarHBondContact O-N 2.84Å; L403-T405 VanDerWaalsContact C-N 3.27Å; L403-T405 PolarHBondContact O-N 3.49Å
406I96.8Very high96.8Very high75 Ų7545.5 Ų45.539%0.38525%0.247SC..Hα-helixtrans-67.9-43.8176.9-68.8158.8000110.8L357 L382 A402 L403L357-I406 HydrophobicContact CD1-CB 4.42Å; L357-I406 HydrophobicContact CD1-CG2 4.08Å; L382-I406 HydrophobicContact CD2-CD1 3.83Å; A402-I406 WeakPolarHBondContact O-CD1 3.25Å; A402-I406 VanDerWaalsContact O-CG1 3.23Å; A402-I406 WeakPolarHBondContact O-CG1 3.33Å; A402-I406 PolarHBondContact O-N 2.84Å; L403-I406 PolarHBondContact O-N 3.49Å
407F95.7Very high96.7Very high13 Ų1346.6 Ų46.66%0.05725%0.253CS..  trans-146103.8-178.7179.5-113.8000110.9E312 V315 L357 L403 Q404 G409 V410E312-F407 HydrophobicContact CB-CE2 4.41Å; E312-F407 HydrophobicContact CB-CZ 4.26Å; E312-F407 HydrophobicContact CG-CE2 3.93Å; E312-F407 HydrophobicContact CG-CZ 3.68Å; V315-F407 HydrophobicContact CB-CE2 4.27Å; V315-F407 HydrophobicContact CG2-CD2 4.11Å; V315-F407 HydrophobicContact CG2-CE2 3.9Å; L357-F407 HydrophobicContact CD2-CD1 4.38Å; L403-F407 PolarHBondContact O-N 3Å; Q404-F407 CarbonylContact O-C 3.5Å; Q404-F407 VanDerWaalsContact O-C 3.27Å; F407-G409 VanDerWaalsContact CE1-C 3.44Å; F407-G409 VanDerWaalsContact CE1-CA 3.47Å; F407-G409 PolarHBondContact O-N 3.28Å; F407-V410 HydrophobicContact CD1-CB 4.12Å; F407-V410 WeakPolarHBondContact O-CG1 3.43Å; F407-V410 PolarHBondContact O-N 2.73Å; F407-V410 VanDerWaalsContact O-N 3.09Å
408P91.8Very high96.4Very high75 Ų7545.9 Ų45.949%0.48725%0.254SS..THydrogen-bonded Turntrans-61.5-20.7-175.1-26.234.8000115.1V308 Q404 V410V308-P408 HydrophobicContact CG1-CB 4.11Å; V308-P408 HydrophobicContact CG2-CB 4.38Å; Q404-P408 WeakPolarHBondContact O-CA 3.43Å; P408-V410 PolarHBondContact O-N 3.12Å
409G90.3Very high96.2Very high19 Ų1946.5 Ų46.520%0.19626%0.257CS..THydrogen-bonded Turntrans-77.40.117700000114.9E312 F407E312-G409 VanDerWaalsContact OE1-CA 3.26Å; E312-G409 WeakPolarHBondContact OE1-CA 3.43Å; F407-G409 VanDerWaalsContact CE1-C 3.44Å; F407-G409 VanDerWaalsContact CE1-CA 3.47Å; F407-G409 PolarHBondContact O-N 3.28Å
410V96.4Very high96Very high8 Ų847.1 Ų47.15%0.04826%0.262CS..  trans-84.1134.6174.573.90000111.3L357 R362 I364 L403 Q404 F407 P408 A412L357-V410 HydrophobicContact CD2-CB 3.78Å; L357-V410 HydrophobicContact CD2-CG1 4.37Å; L357-V410 HydrophobicContact CD2-CG2 3.6Å; R362-V410 WeakPolarHBondContact O-CG2 3.47Å; I364-V410 HydrophobicContact CD1-CG2 4.33Å; I364-V410 HydrophobicContact CG1-CG2 4.43Å; L403-V410 HydrophobicContact CB-CG1 4.06Å; Q404-V410 HydrophobicContact CG-CG1 4.09Å; F407-V410 HydrophobicContact CD1-CB 4.12Å; F407-V410 WeakPolarHBondContact O-CG1 3.43Å; F407-V410 PolarHBondContact O-N 2.73Å; F407-V410 VanDerWaalsContact O-N 3.09Å; P408-V410 PolarHBondContact O-N 3.12Å; V410-A412 HydrophobicContact CG1-CB 4.04Å; V410-A412 HydrophobicContact CG2-CB 4.29Å; V410-A412 PolarHBondContact O-N 3.46Å
411N97.1Very high95.6Very high82 Ų8248.9 Ų48.944%0.43927%0.269SS..EExtended strand (participates in β ladder)trans-8986.1162.8-176.9-4.1000108.9R362 I364R362-N411 WeakPolarHBondContact O-CA 3.47Å; R362-N411 PolarHBondContact O-N 3.49Å; I364-N411 PolarHBondContact N-O 2.91Å; I364-N411 VanDerWaalsContact N-O 3.08Å
412A98.3Very high95.1Very high4 Ų443.2 Ų43.23%0.03324%0.243CC..EExtended strand (participates in β ladder)trans-100.3134.8176.500000112I364 A400 L403 Q404 V410I364-A412 CarbonylContact O-C 3.55Å; I364-A412 WeakPolarHBondContact O-CA 3.34Å; A400-A412 HydrophobicContact CB-CB 4.1Å; L403-A412 HydrophobicContact CB-CB 3.9Å; L403-A412 HydrophobicContact CD1-CB 3.97Å; Q404-A412 HydrophobicContact CG-CB 4.23Å; Q404-A412 PolarHBondContact NE2-O 2.86Å; V410-A412 HydrophobicContact CG1-CB 4.04Å; V410-A412 HydrophobicContact CG2-CB 4.29Å; V410-A412 PolarHBondContact O-N 3.46Å
413R98.2Very high94.4Very high81 Ų8143.2 Ų43.231%0.30625%0.245SC..EExtended strand (participates in β ladder)trans-131.1144175.9-61.4-178.4-59.8-175.4-0.2111I364 T365 L366 F415 E461I364-R413 PolarHBondContact O-N 3.02Å; T365-R413 CarbonylContact C-O 3.41Å; T365-R413 VanDerWaalsContact CA-O 3.31Å; T365-R413 WeakPolarHBondContact CA-O 3.46Å; T365-R413 HydrophobicContact CG2-CB 4.38Å; T365-R413 PolarHBondContact OG1-NE 2.71Å; T365-R413 PolarHBondContact OG1-NH2 3.25Å; L366-R413 PolarHBondContact N-O 2.98Å; R413-F415 HydrophobicContact CB-CE2 4.14Å; R413-E461 IonicContact CZ-OE1 2.82Å; R413-E461 IonicContact NH1-OE1 2.59Å; R413-E461 PolarHBondContact NH1-OE1 3.49Å; R413-E461 VanDerWaalsContact NH1-OE1 3.14Å; R413-E461 IonicContact NH1-OE2 3.68Å; R413-E461 VanDerWaalsContact NH2-CD 3.3Å; R413-E461 IonicContact NH2-OE1 3.87Å; R413-E461 PolarHBondContact NH2-OE1 2.92Å; R413-E461 IonicContact NH2-OE2 2.98Å; R413-E461 PolarHBondContact NH2-OE2 3.27Å
414G98.1Very high93.8Very high13 Ų1345.4 Ų45.413%0.13426%0.255CS..EExtended strand (participates in β ladder)trans-117.2142.7173.700000111.4L366 A396 L397L366-G414 CarbonylContact O-C 3.53Å; L366-G414 WeakPolarHBondContact O-CA 3.22Å; A396-G414 WeakPolarHBondContact O-CA 3.2Å; L397-G414 VanDerWaalsContact CD2-O 3.26Å; L397-G414 WeakPolarHBondContact CD2-O 3.45Å
415F97.8Very high93.1Very high48 Ų4845.5 Ų45.521%0.21126%0.263CS..EExtended strand (participates in β ladder)trans-129.4126.8173.6-67.4-84.8000110.8T365 L366 I367 D368 A396 R413 L417 L458T365-F415 HydrophobicContact CG2-CD2 3.51Å; T365-F415 HydrophobicContact CG2-CE2 3.5Å; L366-F415 PolarHBondContact O-N 3.32Å; I367-F415 WeakPolarHBondContact CA-O 3.38Å; I367-F415 HydrophobicContact CG1-CB 4.42Å; D368-F415 PolarHBondContact N-O 3.36Å; A396-F415 WeakPolarHBondContact CB-O 3.36Å; R413-F415 HydrophobicContact CB-CE2 4.14Å; F415-L417 HydrophobicContact CB-CD1 3.87Å; F415-L417 HydrophobicContact CB-CG 4.02Å; F415-L417 PolarHBondContact O-N 2.73Å; F415-L458 HydrophobicContact CD2-CD1 4.01Å; F415-L458 HydrophobicContact CD2-CD2 4.25Å; F415-L458 HydrophobicContact CE2-CD1 4.38Å; F415-L458 HydrophobicContact CE2-CD2 3.81Å; F415-L458 HydrophobicContact CG-CD1 4.24Å; F415-L458 HydrophobicContact CZ-CD2 4.21Å
416D96Very high92.4Very high96 Ų9640.7 Ų40.751%0.51323%0.234SC..  trans-77.699.6167.7-168.1-11.7000109D368 N369 N394D368-D416 WeakPolarHBondContact O-CA 3.45Å; N369-D416 WeakPolarHBondContact CA-OD1 3.32Å; N394-D416 WeakPolarHBondContact ND2-CB 3.26Å; N394-D416 PolarHBondContact ND2-OD1 3.14Å; N394-D416 PolarHBondContact ND2-OD2 3.31Å
417L94.3Very high91.3Very high24 Ų2437.7 Ų37.713%0.12622%0.219CC..  trans-140.8126.7-179.5-62.9169.5000110.5I367 F415 T451 K454 L458I367-L417 HydrophobicContact CD1-CD1 4.21Å; I367-L417 HydrophobicContact CG1-CD1 4.4Å; I367-L417 HydrophobicContact CG2-CB 3.85Å; I367-L417 HydrophobicContact CG2-CD1 4.43Å; F415-L417 HydrophobicContact CB-CD1 3.87Å; F415-L417 HydrophobicContact CB-CG 4.02Å; F415-L417 PolarHBondContact O-N 2.73Å; L417-T451 HydrophobicContact CB-CG2 4.29Å; L417-T451 HydrophobicContact CD2-CG2 4.41Å; L417-K454 HydrophobicContact CD1-CB 4.46Å; L417-K454 HydrophobicContact CD1-CG 3.75Å; L417-K454 HydrophobicContact CD2-CB 4.42Å; L417-K454 HydrophobicContact CD2-CG 4.06Å; L417-L458 HydrophobicContact CD1-CD1 3.8Å
418S93.1Very high89.7Confident67 Ų6740.9 Ų40.947%0.46924%0.243SC..  trans-97.3106.9177.7-1740000111N369 P420 T451N369-S418 WeakPolarHBondContact ND2-CB 3.49Å; N369-S418 PolarHBondContact ND2-OG 3.18Å; S418-P420 VanDerWaalsContact O-CD 3.27Å; S418-P420 WeakPolarHBondContact O-CD 3.41Å; S418-T451 WeakPolarHBondContact O-CG2 3.44Å
419I93.2Very high87.7Confident21 Ų2147 Ų4711%0.10826%0.258CS..  trans-68.4119.7-175.1-57.1173.7000110.2I343 M421 L455 T469 L477 P478I343-I419 HydrophobicContact CG2-CD1 3.26Å; I419-M421 WeakPolarHBondContact O-CG 3.49Å; I419-L455 HydrophobicContact CG1-CD2 4.37Å; I419-L455 HydrophobicContact CG2-CD2 4.27Å; I419-T469 HydrophobicContact CD1-CG2 4.41Å; I419-L477 HydrophobicContact CG2-CB 4.28Å; I419-L477 HydrophobicContact CG2-CD2 4.19Å; I419-P478 HydrophobicContact CD1-CG 4.05Å; I419-P478 HydrophobicContact CG2-CG 4.37Å
420P92.4Very high85.3Confident14 Ų1452.5 Ų52.59%0.09128%0.283CS..  trans-62.7140.1173.8-22.735.1000111.5S418 A448 F675S418-P420 VanDerWaalsContact O-CD 3.27Å; S418-P420 WeakPolarHBondContact O-CD 3.41Å; P420-A448 HydrophobicContact CG-CB 4.03Å; P420-F675 HydrophobicContact CB-CD1 4.1Å; P420-F675 HydrophobicContact CB-CD2 3.85Å; P420-F675 HydrophobicContact CB-CE1 3.86Å; P420-F675 HydrophobicContact CB-CE2 3.61Å; P420-F675 HydrophobicContact CB-CG 4.11Å; P420-F675 HydrophobicContact CB-CZ 3.63Å; P420-F675 HydrophobicContact CG-CE2 4.25Å; P420-F675 HydrophobicContact CG-CZ 4.39Å
421M90.5Very high82.4Confident41 Ų4164.1 Ų64.120%0.20233%0.326CS..  trans-118.5141.9-170.5-66-174.8-65.800111.3I419 G423 H424 E473I419-M421 WeakPolarHBondContact O-CG 3.49Å; M421-G423 PolarHBondContact O-N 3.26Å; M421-H424 HydrophobicContact CB-CB 4.4Å; M421-H424 WeakPolarHBondContact O-CB 3.39Å; M421-H424 PolarHBondContact O-N 2.83Å; M421-E473 HydrophobicContact CB-CB 4.12Å; M421-E473 HydrophobicContact CB-CG 4.17Å; M421-E473 HydrophobicContact CG-CB 4.4Å; M421-E473 HydrophobicContact CG-CG 4.19Å; M421-E473 HydrophobicContact SD-CB 4.32Å; M421-E473 HydrophobicContact SD-CG 3.49Å; M421-E473 WeakPolarHBondContact SD-CG 3.43Å
422P88.4Confident79.3Confident0 Ų064.2 Ų64.20%033%0.333CS..THydrogen-bonded Turntrans-55133172.5-27.736.5000112.8H424 W476 P562 V674P422-H424 VanDerWaalsContact C-N 3.32Å; P422-W476 HydrophobicContact CG-CB 3.99Å; P422-W476 HydrophobicContact CG-CD2 3.59Å; P422-W476 HydrophobicContact CG-CE3 3.49Å; P422-W476 VanDerWaalsContact CG-CE3 3.49Å; P422-W476 HydrophobicContact CG-CG 3.81Å; P422-W476 HydrophobicContact CG-CZ3 4.22Å; P422-P562 HydrophobicContact CB-CB 4.25Å; P422-P562 HydrophobicContact CB-CG 4.03Å; P422-P562 WeakPolarHBondContact CB-O 3.18Å; P422-P562 HydrophobicContact CG-CB 4.2Å; P422-P562 HydrophobicContact CG-CG 3.83Å; P422-V674 HydrophobicContact CB-CG1 3.94Å; P422-V674 HydrophobicContact CG-CG1 3.97Å
423G82.6Confident76.3Confident18 Ų1871.7 Ų71.719%0.18637%0.367CS..THydrogen-bonded Turntrans76.912.8-177.900000115.3M421 V674 F675M421-G423 PolarHBondContact O-N 3.26Å; G423-V674 PolarHBondContact N-O 3.44Å; G423-F675 CarbonylContact C-O 3.6Å; G423-F675 WeakPolarHBondContact CA-O 3.22Å; G423-F675 PolarHBondContact N-O 2.97Å; G423-F675 VanDerWaalsContact N-O 3.09Å
424H84.8Confident73.3Confident46 Ų4677.6 Ų77.621%0.21339%0.39CS..SBendtrans-113.795169.2-71.3-109.1000108.8M421 P422 V426 N564 T566 F675M421-H424 HydrophobicContact CB-CB 4.4Å; M421-H424 WeakPolarHBondContact O-CB 3.39Å; M421-H424 PolarHBondContact O-N 2.83Å; P422-H424 VanDerWaalsContact C-N 3.32Å; H424-V426 PolarHBondContact O-N 2.97Å; H424-N564 PolarHBondContact CE1-ND2 2.92Å; H424-N564 PolarHBondContact NE2-ND2 2.72Å; H424-N564 PolarHBondContact NE2-OD1 2.92Å; H424-T566 PolarHBondContact CE1-OG1 3.48Å; H424-F675 CarbonylContact C-O 3.4Å; H424-F675 VanDerWaalsContact C-O 3.24Å; H424-F675 PolarHBondContact N-O 2.79Å
425P82.5Confident70.1Confident92 Ų9285.7 Ų85.760%0.59742%0.422SS*.  trans-58.4131.9-173.2-25.734.1000112.9D676P425-D676 VanDerWaalsContact CA-OD1 3.27Å; P425-D676 WeakPolarHBondContact CA-OD1 3.5Å
426V82.6Confident67Low18 Ų1891.6 Ų91.611%0.10945%0.45CS..  trans-102-20.5174.8-64.20000111.2H424 A448 R672 F675 D676H424-V426 PolarHBondContact O-N 2.97Å; V426-A448 HydrophobicContact CB-CB 4.04Å; V426-A448 HydrophobicContact CG1-CB 3.74Å; V426-R672 HydrophobicContact CG2-CG 4.1Å; V426-F675 HydrophobicContact CG1-CB 4.24Å; V426-F675 HydrophobicContact CG1-CD2 4.32Å; V426-F675 HydrophobicContact CG2-CB 4.17Å; V426-F675 HydrophobicContact CG2-CD2 4.19Å; V426-D676 PolarHBondContact N-OD1 2.92Å
427S73.3Confident64.1Low12 Ų1296.5 Ų96.58%0.08447%0.47CS..SBendtrans-86.9138.2173.270.70000112.2Y429 D676S427-Y429 PolarHBondContact O-N 3.08Å; S427-D676 VanDerWaalsContact CB-OD2 3.26Å; S427-D676 WeakPolarHBondContact CB-OD2 3.45Å; S427-D676 PolarHBondContact N-OD1 3.41Å; S427-D676 PolarHBondContact OG-OD1 3.13Å; S427-D676 PolarHBondContact OG-OD2 3.24Å
428S61Low61.6Low80 Ų80104 Ų10456%0.55950%0.504SS*.  trans-75.275170.1380000110N430S428-N430 PolarHBondContact O-N 2.82Å
429Y50.9Low59.2Low202 Ų202106.2 Ų106.279%0.79252%0.519SS*.  trans-71.483166.5-118.3-83.2000109S427 R431S427-Y429 PolarHBondContact O-N 3.08Å; Y429-R431 PolarHBondContact O-N 3.02Å
430N39.6Very low57.3Low135 Ų135114.2 Ų114.272%0.72256%0.556SS**  trans-56.6108.3166.5-90.4-20.2000107.9S428 S432S428-N430 PolarHBondContact O-N 2.82Å; N430-S432 PolarHBondContact O-N 2.98Å
431R35.9Very low55.8Low253 Ų253118.4 Ų118.496%0.95557%0.573SS**SBendtrans-72.325.9-175.6-137.7-176.1-94.8-170.4-7.9113.1Y429Y429-R431 PolarHBondContact O-N 3.02Å
432S32.4Very low55Low83 Ų83117.6 Ų117.658%0.5857%0.572SS**SBendtrans-145.2110.3-178.856.50000111.8N430N430-S432 PolarHBondContact O-N 2.98Å
433H34.1Very low54.6Low161 Ų161126.1 Ų126.175%0.74561%0.612SS**  trans64.6121.1144.8-88.1-68.7000121
434Y35.7Very low54.6Low205 Ų205131.6 Ų131.680%0.80464%0.636SS**  trans80.4108.9154.3-69.3-75.8000120.1
435K31.7Very low54.6Low183 Ų183129.8 Ų129.880%0.79663%0.627SS**  trans-31.2142.8153.7-67.2170.7170.9177.20114
436H32.8Very low54.8Low173 Ų173129 Ų12980%0.80162%0.616SS**  trans79.888.9166.7-57.3-69.7000116.7
437Q34.2Very low55.1Low198 Ų198131.3 Ų131.393%0.92563%0.633SS**  trans-163153.9138.2-105.5160.232.500110.5
438H41Very low56Low182 Ų182131.1 Ų131.184%0.84363%0.632SS**  trans-53.5147.5-158.1-82.3-75.5000117.9Q440H438-Q440 PolarHBondContact O-N 3.3Å; H438-Q440 VanDerWaalsContact O-N 3.09Å
439S44.4Very low57.5Low114 Ų114129 Ų12980%0.79761%0.613SS**  trans-63.384.2178.153.60000114.6
440Q52.1Low59.6Low188 Ų188123.6 Ų123.688%0.87960%0.598SS**  trans-109.1124.6157.9-90.7178-13.100109.1H438H438-Q440 PolarHBondContact O-N 3.3Å; H438-Q440 VanDerWaalsContact O-N 3.09Å
441F60.8Low62.1Low102 Ų102117.8 Ų117.845%0.44757%0.568SS.*  trans-57.4136.6169.6-77-95.7000109E445F441-E445 HydrophobicContact CB-CB 4.43Å; F441-E445 HydrophobicContact CD1-CB 4.05Å; F441-E445 HydrophobicContact CD1-CG 3.61Å; F441-E445 WeakPolarHBondContact CD1-OE1 3.3Å; F441-E445 HydrophobicContact CE1-CG 4.17Å; F441-E445 WeakPolarHBondContact CE1-OE1 3.44Å
442S74.4Confident65Low25 Ų25106.1 Ų106.118%0.17553%0.525CS..  trans-66.5154.217074.40000109.9L444 E445 Q446S442-L444 PolarHBondContact O-N 2.95Å; S442-L444 VanDerWaalsContact O-N 3.16Å; S442-E445 WeakPolarHBondContact O-CA 3.32Å; S442-E445 WeakPolarHBondContact O-CB 3.17Å; S442-E445 PolarHBondContact O-N 2.88Å; S442-E445 WeakPolarHBondContact OG-CB 3.34Å; S442-E445 PolarHBondContact OG-N 3.45Å; S442-Q446 PolarHBondContact O-N 3.42Å
443E80.7Confident68Low179 Ų179108 Ų10884%0.83652%0.523SS*.Hα-helixtrans-54.1-35.9177.2-68.4-180174.300112.4S447E443-S447 VanDerWaalsContact O-CB 3.22Å; E443-S447 WeakPolarHBondContact O-CB 3.24Å; E443-S447 PolarHBondContact O-N 3.3Å
444L82.3Confident71Confident132 Ų132104.5 Ų104.569%0.69151%0.505SS*.Hα-helixtrans-64.1-41174.8-74.2166.3000112.1S442 A448S442-L444 PolarHBondContact O-N 2.95Å; S442-L444 VanDerWaalsContact O-N 3.16Å; L444-A448 WeakPolarHBondContact O-CB 3.38Å; L444-A448 PolarHBondContact O-N 3.14Å
445E84.5Confident74Confident8 Ų894.8 Ų94.84%0.03747%0.467CS..Hα-helixtrans-70.1-45-179.8-157.8-176.7158.200111F441 S442 S447 A448 E449 Y668 R672F441-E445 HydrophobicContact CB-CB 4.43Å; F441-E445 HydrophobicContact CD1-CB 4.05Å; F441-E445 HydrophobicContact CD1-CG 3.61Å; F441-E445 WeakPolarHBondContact CD1-OE1 3.3Å; F441-E445 HydrophobicContact CE1-CG 4.17Å; F441-E445 WeakPolarHBondContact CE1-OE1 3.44Å; S442-E445 WeakPolarHBondContact O-CA 3.32Å; S442-E445 WeakPolarHBondContact O-CB 3.17Å; S442-E445 PolarHBondContact O-N 2.88Å; S442-E445 WeakPolarHBondContact OG-CB 3.34Å; S442-E445 PolarHBondContact OG-N 3.45Å; E445-S447 VanDerWaalsContact C-N 3.34Å; E445-S447 PolarHBondContact O-N 3.15Å; E445-A448 PolarHBondContact O-N 2.84Å; E445-E449 PolarHBondContact O-N 2.86Å; E445-Y668 PolarHBondContact O-OH 2.78Å; E445-Y668 VanDerWaalsContact O-OH 3.07Å; E445-R672 WeakPolarHBondContact OE1-CD 3.14Å; E445-R672 IonicContact OE1-CZ 3Å; E445-R672 IonicContact OE1-NE 3.71Å; E445-R672 PolarHBondContact OE1-NE 3.39Å; E445-R672 VanDerWaalsContact OE1-NE 3.09Å; E445-R672 IonicContact OE1-NH1 2.92Å; E445-R672 PolarHBondContact OE1-NH1 3.01Å; E445-R672 IonicContact OE1-NH2 3.68Å; E445-R672 IonicContact OE2-CZ 3.72Å; E445-R672 IonicContact OE2-NH1 2.86Å; E445-R672 IonicContact OE2-NH2 3.72Å
446Q87Confident77.1Confident75 Ų7586.9 Ų86.935%0.3544%0.435SS..Hα-helixtrans-60.3-44.6174.4-171.664.454.900111.4S442 A448 E449 D450S442-Q446 PolarHBondContact O-N 3.42Å; Q446-A448 VanDerWaalsContact C-N 3.33Å; Q446-A448 PolarHBondContact O-N 2.92Å; Q446-E449 PolarHBondContact O-N 3.31Å; Q446-D450 PolarHBondContact NE2-OD1 2.86Å; Q446-D450 WeakPolarHBondContact O-CB 3.15Å; Q446-D450 VanDerWaalsContact O-CG 3.22Å; Q446-D450 PolarHBondContact O-N 3.46Å
447S89.1Confident80.2Confident68 Ų6881 Ų8148%0.47642%0.417SS..Hα-helixtrans-61.4-40.3176.8179.40000112.4E443 E445 T451E443-S447 VanDerWaalsContact O-CB 3.22Å; E443-S447 WeakPolarHBondContact O-CB 3.24Å; E443-S447 PolarHBondContact O-N 3.3Å; E445-S447 VanDerWaalsContact C-N 3.34Å; E445-S447 PolarHBondContact O-N 3.15Å; S447-T451 VanDerWaalsContact O-CB 3.29Å; S447-T451 WeakPolarHBondContact O-CB 3.34Å; S447-T451 PolarHBondContact O-N 3.48Å; S447-T451 PolarHBondContact O-OG1 3.28Å
448A91Very high83.2Confident7 Ų771.7 Ų71.76%0.05837%0.373CS..Hα-helixtrans-66.5-40.2175.500000111.9P420 V426 L444 E445 Q446 C452P420-A448 HydrophobicContact CG-CB 4.03Å; V426-A448 HydrophobicContact CB-CB 4.04Å; V426-A448 HydrophobicContact CG1-CB 3.74Å; L444-A448 WeakPolarHBondContact O-CB 3.38Å; L444-A448 PolarHBondContact O-N 3.14Å; E445-A448 PolarHBondContact O-N 2.84Å; Q446-A448 VanDerWaalsContact C-N 3.33Å; Q446-A448 PolarHBondContact O-N 2.92Å; A448-C452 WeakPolarHBondContact O-CB 3.31Å; A448-C452 PolarHBondContact O-N 3.32Å; A448-C452 PolarHBondContact O-SG 3.33Å
449E93.6Very high85.9Confident37 Ų3763 Ų6317%0.17333%0.333CS..Hα-helixtrans-62.2-52.3174.9-175.4166.2-153.200111.7E445 Q446 T451 C452 F453 Y668E445-E449 PolarHBondContact O-N 2.86Å; Q446-E449 PolarHBondContact O-N 3.31Å; E449-T451 VanDerWaalsContact C-N 3.27Å; E449-T451 PolarHBondContact O-N 3.22Å; E449-C452 WeakPolarHBondContact O-CB 3.23Å; E449-C452 PolarHBondContact O-N 2.92Å; E449-C452 VanDerWaalsContact O-N 3.07Å; E449-F453 HydrophobicContact CG-CD2 3.69Å; E449-F453 HydrophobicContact CG-CE2 3.35Å; E449-F453 HydrophobicContact CG-CZ 4.43Å; E449-F453 VanDerWaalsContact O-CD2 3.26Å; E449-F453 WeakPolarHBondContact O-CD2 3.32Å; E449-F453 PolarHBondContact O-N 2.96Å; E449-F453 WeakPolarHBondContact OE1-CE2 3.5Å; E449-Y668 HydrophobicContact CB-CD1 3.93Å; E449-Y668 HydrophobicContact CB-CD2 4.11Å; E449-Y668 HydrophobicContact CB-CE1 3.62Å; E449-Y668 HydrophobicContact CB-CE2 3.8Å; E449-Y668 HydrophobicContact CB-CG 4.18Å; E449-Y668 HydrophobicContact CG-CD1 3.7Å; E449-Y668 HydrophobicContact CG-CD2 4.11Å; E449-Y668 HydrophobicContact CG-CE1 3.95Å; E449-Y668 HydrophobicContact CG-CE2 4.32Å; E449-Y668 HydrophobicContact CG-CG 3.8Å; E449-Y668 PolarHBondContact N-OH 3.43Å
450D93.5Very high88.4Confident87 Ų8763.4 Ų63.447%0.46532%0.322SS..Hα-helixtrans-58.7-41.2178.5-67.6-14.6000111.2Q446 F453 K454Q446-D450 PolarHBondContact NE2-OD1 2.86Å; Q446-D450 WeakPolarHBondContact O-CB 3.15Å; Q446-D450 VanDerWaalsContact O-CG 3.22Å; Q446-D450 PolarHBondContact O-N 3.46Å; D450-F453 PolarHBondContact O-N 3.42Å; D450-K454 WeakPolarHBondContact O-CB 3.33Å; D450-K454 PolarHBondContact O-N 3.19Å
451T93.9Very high90.6Very high14 Ų1458 Ų589%0.08630%0.297CS..Hα-helixtrans-64.6-41.8176-60.10000111.7L417 S418 S447 E449 K454 L455L417-T451 HydrophobicContact CB-CG2 4.29Å; L417-T451 HydrophobicContact CD2-CG2 4.41Å; S418-T451 WeakPolarHBondContact O-CG2 3.44Å; S447-T451 VanDerWaalsContact O-CB 3.29Å; S447-T451 WeakPolarHBondContact O-CB 3.34Å; S447-T451 PolarHBondContact O-N 3.48Å; S447-T451 PolarHBondContact O-OG1 3.28Å; E449-T451 VanDerWaalsContact C-N 3.27Å; E449-T451 PolarHBondContact O-N 3.22Å; T451-K454 PolarHBondContact O-N 3.23Å; T451-L455 VanDerWaalsContact O-CB 3.23Å; T451-L455 WeakPolarHBondContact O-CB 3.13Å; T451-L455 PolarHBondContact O-N 3.04Å
452C95.7Very high92.4Very high8 Ų853.2 Ų53.25%0.05428%0.276CS..Hα-helixtrans-62.7-43.8176.3-720000111.6A448 E449 S456 Y668 L671A448-C452 WeakPolarHBondContact O-CB 3.31Å; A448-C452 PolarHBondContact O-N 3.32Å; A448-C452 PolarHBondContact O-SG 3.33Å; E449-C452 WeakPolarHBondContact O-CB 3.23Å; E449-C452 PolarHBondContact O-N 2.92Å; E449-C452 VanDerWaalsContact O-N 3.07Å; C452-S456 VanDerWaalsContact O-CB 3.29Å; C452-S456 WeakPolarHBondContact O-CB 3.41Å; C452-S456 PolarHBondContact O-N 2.79Å; C452-Y668 HydrophobicContact CB-CD2 4.03Å; C452-Y668 HydrophobicContact CB-CE2 4.38Å; C452-L671 HydrophobicContact CB-CD1 4.15Å
453F96.2Very high93.5Very high123 Ų12353.5 Ų53.554%0.53928%0.276SS..Hα-helixtrans-63.3-46.5175.9-77.8-59.4000111.8E449 D450 S456 A457E449-F453 HydrophobicContact CG-CD2 3.69Å; E449-F453 HydrophobicContact CG-CE2 3.35Å; E449-F453 HydrophobicContact CG-CZ 4.43Å; E449-F453 VanDerWaalsContact O-CD2 3.26Å; E449-F453 WeakPolarHBondContact O-CD2 3.32Å; E449-F453 PolarHBondContact O-N 2.96Å; E449-F453 WeakPolarHBondContact OE1-CE2 3.5Å; D450-F453 PolarHBondContact O-N 3.42Å; F453-S456 PolarHBondContact O-N 3.07Å; F453-A457 WeakPolarHBondContact O-CB 3.47Å; F453-A457 PolarHBondContact O-N 3.33Å
454K97.1Very high94.3Very high86 Ų8645 Ų4537%0.37424%0.236SC..Hα-helixtrans-63.1-44.7179.2-175.260.9174.9-178.90111.8L417 D450 T451 A457 L458L417-K454 HydrophobicContact CD1-CB 4.46Å; L417-K454 HydrophobicContact CD1-CG 3.75Å; L417-K454 HydrophobicContact CD2-CB 4.42Å; L417-K454 HydrophobicContact CD2-CG 4.06Å; D450-K454 WeakPolarHBondContact O-CB 3.33Å; D450-K454 PolarHBondContact O-N 3.19Å; T451-K454 PolarHBondContact O-N 3.23Å; K454-A457 PolarHBondContact O-N 3.19Å; K454-L458 HydrophobicContact CG-CD1 4.25Å; K454-L458 WeakPolarHBondContact O-CG 3.4Å; K454-L458 PolarHBondContact O-N 2.71Å
455L97.5Very high95.1Very high1 Ų138.7 Ų38.71%0.00520%0.203CC..Hα-helixtrans-62.9-43.5177.4-178.662.5000111.3I343 I367 I419 T451 A457 L458 V459 L477 P478 L481I343-L455 HydrophobicContact CD1-CD1 4.12Å; I367-L455 HydrophobicContact CD1-CD1 3.62Å; I419-L455 HydrophobicContact CG1-CD2 4.37Å; I419-L455 HydrophobicContact CG2-CD2 4.27Å; T451-L455 VanDerWaalsContact O-CB 3.23Å; T451-L455 WeakPolarHBondContact O-CB 3.13Å; T451-L455 PolarHBondContact O-N 3.04Å; L455-A457 PolarHBondContact O-N 2.96Å; L455-L458 PolarHBondContact O-N 2.88Å; L455-V459 HydrophobicContact CD1-CG2 4.49Å; L455-V459 WeakPolarHBondContact O-CG2 3.39Å; L455-V459 PolarHBondContact O-N 3.48Å; L455-L477 HydrophobicContact CD2-CD2 3.81Å; L455-L477 HydrophobicContact CD2-CG 4.02Å; L455-P478 HydrophobicContact CD2-CG 4.3Å; L455-L481 HydrophobicContact CB-CD1 4.25Å; L455-L481 HydrophobicContact CD2-CD1 3.76Å; L455-L481 HydrophobicContact CG-CD1 3.68Å
456S97.3Very high95.7Very high17 Ų1738.3 Ų38.312%0.11920%0.201CC..Hα-helixtrans-60.2-45.1175.9-172.30000111.9C452 F453 L458 V459 Q460 H485C452-S456 VanDerWaalsContact O-CB 3.29Å; C452-S456 WeakPolarHBondContact O-CB 3.41Å; C452-S456 PolarHBondContact O-N 2.79Å; F453-S456 PolarHBondContact O-N 3.07Å; S456-L458 PolarHBondContact O-N 2.86Å; S456-V459 PolarHBondContact O-N 3.36Å; S456-Q460 WeakPolarHBondContact O-CB 3.41Å; S456-Q460 PolarHBondContact O-N 2.84Å; S456-H485 PolarHBondContact OG-NE2 3.35Å
457A97.8Very high96.3Very high51 Ų5134.8 Ų34.842%0.42119%0.185SC..Hα-helixtrans-62.3-43176.200000112.2F453 K454 L455 Q460 E461F453-A457 WeakPolarHBondContact O-CB 3.47Å; F453-A457 PolarHBondContact O-N 3.33Å; K454-A457 PolarHBondContact O-N 3.19Å; L455-A457 PolarHBondContact O-N 2.96Å; A457-Q460 PolarHBondContact O-N 3.47Å; A457-E461 WeakPolarHBondContact O-CB 3.25Å; A457-E461 PolarHBondContact O-N 2.97Å
458L98.3Very high96.6Very high1 Ų132 Ų321%0.00516%0.164CC..Hα-helixtrans-63.5-43.8175.8-72172.3000111.3L341 T365 I367 F415 L417 K454 L455 S456 Q460 E461 H462L341-L458 HydrophobicContact CD1-CB 4.37Å; L341-L458 HydrophobicContact CD2-CB 4.02Å; T365-L458 HydrophobicContact CG2-CD2 4.35Å; I367-L458 HydrophobicContact CD1-CD1 3.68Å; I367-L458 HydrophobicContact CG1-CD1 4.2Å; F415-L458 HydrophobicContact CD2-CD1 4.01Å; F415-L458 HydrophobicContact CD2-CD2 4.25Å; F415-L458 HydrophobicContact CE2-CD1 4.38Å; F415-L458 HydrophobicContact CE2-CD2 3.81Å; F415-L458 HydrophobicContact CG-CD1 4.24Å; F415-L458 HydrophobicContact CZ-CD2 4.21Å; L417-L458 HydrophobicContact CD1-CD1 3.8Å; K454-L458 HydrophobicContact CG-CD1 4.25Å; K454-L458 WeakPolarHBondContact O-CG 3.4Å; K454-L458 PolarHBondContact O-N 2.71Å; L455-L458 PolarHBondContact O-N 2.88Å; S456-L458 PolarHBondContact O-N 2.86Å; L458-Q460 VanDerWaalsContact C-N 3.3Å; L458-Q460 PolarHBondContact O-N 3.23Å; L458-E461 PolarHBondContact O-N 3.18Å; L458-H462 PolarHBondContact O-N 2.85Å; L458-H462 PolarHBondContact O-ND1 3.05Å
459V97.7Very high96.7Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-60-42.1175.2168.90000111.1L341 L455 S456 E461 H462 I465 L481 A482 H485 K487L341-V459 HydrophobicContact CD2-CG2 4.01Å; L455-V459 HydrophobicContact CD1-CG2 4.49Å; L455-V459 WeakPolarHBondContact O-CG2 3.39Å; L455-V459 PolarHBondContact O-N 3.48Å; S456-V459 PolarHBondContact O-N 3.36Å; V459-E461 PolarHBondContact O-N 2.98Å; V459-H462 PolarHBondContact O-N 3.45Å; V459-I465 HydrophobicContact CB-CD1 4.42Å; V459-I465 HydrophobicContact CG1-CD1 4.25Å; V459-I465 HydrophobicContact CG1-CG1 4.25Å; V459-I465 HydrophobicContact CG2-CD1 4.39Å; V459-L481 HydrophobicContact CB-CB 4.47Å; V459-L481 HydrophobicContact CG1-CB 4.27Å; V459-L481 HydrophobicContact CG2-CB 4.23Å; V459-A482 HydrophobicContact CG1-CB 4.47Å; V459-H485 HydrophobicContact CG1-CB 4.36Å; V459-K487 HydrophobicContact CG1-CG 4.01Å; V459-K487 WeakPolarHBondContact O-CE 3.35Å
460Q96.7Very high96.4Very high122 Ų12234.3 Ų34.357%0.5718%0.177SC*.Hα-helixtrans-66.1-36.5178.7-167.1176.818.600112.9S456 A457 L458 H462 K487S456-Q460 WeakPolarHBondContact O-CB 3.41Å; S456-Q460 PolarHBondContact O-N 2.84Å; A457-Q460 PolarHBondContact O-N 3.47Å; L458-Q460 VanDerWaalsContact C-N 3.3Å; L458-Q460 PolarHBondContact O-N 3.23Å; Q460-H462 VanDerWaalsContact C-N 3.34Å; Q460-K487 VanDerWaalsContact O-CE 3.28Å; Q460-K487 WeakPolarHBondContact O-CE 3.45Å; Q460-K487 PolarHBondContact O-NZ 3.29Å
461E97.4Very high96Very high75 Ų7531.2 Ų31.235%0.3516%0.162SC..Hα-helixtrans-68.1-29.7179.7-173.7-171.8167.300113.3K339 R413 A457 L458 V459K339-E461 WeakPolarHBondContact CD-O 3.39Å; R413-E461 IonicContact CZ-OE1 2.82Å; R413-E461 IonicContact NH1-OE1 2.59Å; R413-E461 PolarHBondContact NH1-OE1 3.49Å; R413-E461 VanDerWaalsContact NH1-OE1 3.14Å; R413-E461 IonicContact NH1-OE2 3.68Å; R413-E461 VanDerWaalsContact NH2-CD 3.3Å; R413-E461 IonicContact NH2-OE1 3.87Å; R413-E461 PolarHBondContact NH2-OE1 2.92Å; R413-E461 IonicContact NH2-OE2 2.98Å; R413-E461 PolarHBondContact NH2-OE2 3.27Å; A457-E461 WeakPolarHBondContact O-CB 3.25Å; A457-E461 PolarHBondContact O-N 2.97Å; L458-E461 PolarHBondContact O-N 3.18Å; V459-E461 PolarHBondContact O-N 2.98Å
462H98.3Very high95.6Very high2 Ų233.4 Ų33.41%0.00917%0.168CC..  trans-101.9157.5-173-64.676.9000112.1K339 C340 L341 T365 L458 V459 Q460 I465 K487K339-H462 HydrophobicContact CB-CB 4.28Å; C340-H462 PolarHBondContact O-CD2 2.9Å; L341-H462 HydrophobicContact CB-CB 3.86Å; T365-H462 WeakPolarHBondContact CB-NE2 3.49Å; T365-H462 PolarHBondContact OG1-CE1 2.94Å; T365-H462 PolarHBondContact OG1-NE2 3.4Å; L458-H462 PolarHBondContact O-N 2.85Å; L458-H462 PolarHBondContact O-ND1 3.05Å; V459-H462 PolarHBondContact O-N 3.45Å; Q460-H462 VanDerWaalsContact C-N 3.34Å; H462-I465 HydrophobicContact CB-CD1 3.87Å; H462-K487 VanDerWaalsContact O-CD 3.25Å; H462-K487 WeakPolarHBondContact O-CD 3.2Å; H462-K487 WeakPolarHBondContact O-CE 3.2Å; H462-K487 PolarHBondContact O-NZ 2.81Å
463D96.9Very high95.2Very high31 Ų3133.1 Ų33.117%0.16617%0.166CC..SBendtrans-94.4-40-176.3-54.6-52.5000111.6T338 K339 L488T338-D463 HydrophobicContact CG2-CB 4.2Å; K339-D463 PolarHBondContact N-OD2 3.29Å; K339-D463 PolarHBondContact O-N 3.43Å; D463-L488 PolarHBondContact O-N 3.14Å
464V98.2Very high95Very high0 Ų027.6 Ų27.60%014%0.143CC..EExtended strand (participates in β ladder)trans-123129.2-179.7-174.70000110.1T338 K339 C340 L341 F466 L488 I490 M594 L598T338-V464 HydrophobicContact CG2-CG2 3.85Å; K339-V464 PolarHBondContact O-N 3Å; C340-V464 WeakPolarHBondContact CA-O 3.45Å; L341-V464 PolarHBondContact N-O 3.35Å; V464-F466 HydrophobicContact CB-CE2 4.41Å; V464-F466 HydrophobicContact CG1-CD2 4.1Å; V464-F466 HydrophobicContact CG1-CE2 3.64Å; V464-F466 HydrophobicContact CG1-CZ 4.15Å; V464-L488 WeakPolarHBondContact CA-O 3.35Å; V464-L488 HydrophobicContact CG1-CD2 4.25Å; V464-L488 HydrophobicContact CG1-CG 4.46Å; V464-L488 HydrophobicContact CG2-CD2 4.13Å; V464-I490 HydrophobicContact CG1-CD1 4.06Å; V464-I490 HydrophobicContact CG1-CG1 4.39Å; V464-M594 HydrophobicContact CB-SD 4.23Å; V464-M594 HydrophobicContact CG1-CG 3.99Å; V464-M594 HydrophobicContact CG1-SD 4.02Å; V464-M594 HydrophobicContact CG2-CG 4.09Å; V464-M594 HydrophobicContact CG2-SD 4.13Å; V464-L598 HydrophobicContact CG2-CD1 4.44Å
465I98.6Very high94.8Very high0 Ų023.8 Ų23.80%013%0.126CC..EExtended strand (participates in β ladder)trans-112.2115.6-178.3-43.4-57.6000109.2L341 I343 V459 H462 L467 A482 K487 L488 A489 I490L341-I465 HydrophobicContact CB-CD1 3.75Å; L341-I465 HydrophobicContact CD2-CD1 4.01Å; L341-I465 HydrophobicContact CD2-CG2 4.31Å; L341-I465 HydrophobicContact CG-CD1 4.49Å; I343-I465 HydrophobicContact CD1-CG2 3.59Å; I343-I465 HydrophobicContact CG1-CG2 4.2Å; V459-I465 HydrophobicContact CB-CD1 4.42Å; V459-I465 HydrophobicContact CG1-CD1 4.25Å; V459-I465 HydrophobicContact CG1-CG1 4.25Å; V459-I465 HydrophobicContact CG2-CD1 4.39Å; H462-I465 HydrophobicContact CB-CD1 3.87Å; I465-L467 HydrophobicContact CG2-CD2 3.9Å; I465-A482 HydrophobicContact CG1-CB 4.32Å; I465-K487 HydrophobicContact CG1-CB 4Å; I465-L488 PolarHBondContact N-O 2.77Å; I465-A489 CarbonylContact O-C 3.45Å; I465-A489 VanDerWaalsContact O-CA 3.26Å; I465-A489 WeakPolarHBondContact O-CA 3.44Å; I465-I490 PolarHBondContact O-N 3.36Å
466F98.7Very high94.8Very high0 Ų023.8 Ų23.80%013%0.126CC..EExtended strand (participates in β ladder)trans-93.1122.1174.6-73.2-92.3000110.4C340 L341 L342 I343 V352 L356 V464 L468 I490 A590 M594C340-F466 HydrophobicContact CB-CE2 4.4Å; L341-F466 PolarHBondContact O-N 2.96Å; L342-F466 HydrophobicContact CD2-CB 4.48Å; L342-F466 HydrophobicContact CG-CB 4.43Å; I343-F466 WeakPolarHBondContact CB-O 3.36Å; I343-F466 PolarHBondContact N-O 3.31Å; V352-F466 HydrophobicContact CG1-CD1 3.83Å; V352-F466 HydrophobicContact CG1-CD2 4.42Å; V352-F466 HydrophobicContact CG1-CE1 3.91Å; V352-F466 HydrophobicContact CG1-CE2 4.49Å; V352-F466 HydrophobicContact CG1-CG 4.09Å; V352-F466 HydrophobicContact CG1-CZ 4.24Å; L356-F466 HydrophobicContact CD1-CE2 4.18Å; L356-F466 HydrophobicContact CD2-CE2 4.17Å; L356-F466 HydrophobicContact CD2-CZ 4.17Å; V464-F466 HydrophobicContact CB-CE2 4.41Å; V464-F466 HydrophobicContact CG1-CD2 4.1Å; V464-F466 HydrophobicContact CG1-CE2 3.64Å; V464-F466 HydrophobicContact CG1-CZ 4.15Å; F466-L468 HydrophobicContact CB-CD1 3.89Å; F466-L468 HydrophobicContact CB-CD2 4.15Å; F466-L468 HydrophobicContact CB-CG 3.87Å; F466-I490 CarbonylContact C-O 3.6Å; F466-I490 WeakPolarHBondContact CA-O 3.27Å; F466-I490 HydrophobicContact CD1-CB 3.93Å; F466-I490 HydrophobicContact CD1-CG2 4.02Å; F466-I490 HydrophobicContact CE1-CB 3.95Å; F466-I490 HydrophobicContact CE1-CD1 3.99Å; F466-I490 HydrophobicContact CE1-CG2 3.91Å; F466-I490 HydrophobicContact CZ-CD1 4.05Å; F466-A590 HydrophobicContact CD1-CB 4.45Å; F466-A590 HydrophobicContact CE1-CB 4.15Å; F466-M594 HydrophobicContact CE2-SD 3.74Å; F466-M594 HydrophobicContact CZ-CB 3.99Å; F466-M594 HydrophobicContact CZ-CG 4.21Å; F466-M594 HydrophobicContact CZ-SD 3.67Å
467L97.9Very high94.7Very high1 Ų123 Ų231%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-98.3101.9177.6-50.9-174.2000109.2I343 I465 R475 P478 T479 A489 I490 N491 A492I343-L467 HydrophobicContact CD1-CD2 3.92Å; I465-L467 HydrophobicContact CG2-CD2 3.9Å; L467-R475 PolarHBondContact O-NH1 3.34Å; L467-P478 HydrophobicContact CD2-CB 3.4Å; L467-P478 HydrophobicContact CD2-CG 4.41Å; L467-T479 VanDerWaalsContact CD1-OG1 3.29Å; L467-T479 WeakPolarHBondContact CD1-OG1 3.24Å; L467-A489 HydrophobicContact CD1-CB 4.5Å; L467-I490 PolarHBondContact N-O 3.28Å; L467-N491 HydrophobicContact CB-CB 4.26Å; L467-N491 WeakPolarHBondContact CB-OD1 3.41Å; L467-N491 HydrophobicContact CD1-CB 4.42Å; L467-A492 PolarHBondContact O-N 3.05Å; L467-A492 VanDerWaalsContact O-N 3.09Å
468L96.7Very high94.7Very high8 Ų820.5 Ų20.54%0.04210%0.1CC..  trans-127.916.7-166.4-50.8179.4000112.7L342 I343 L348 V352 F466 A492L342-L468 HydrophobicContact CB-CD1 4.31Å; L342-L468 HydrophobicContact CD2-CD1 3.68Å; L342-L468 HydrophobicContact CG-CD1 4.48Å; I343-L468 CarbonylContact O-C 3.04Å; I343-L468 VanDerWaalsContact O-CA 3.31Å; I343-L468 WeakPolarHBondContact O-CA 3.45Å; I343-L468 WeakPolarHBondContact O-CB 3.1Å; I343-L468 PolarHBondContact O-N 3.39Å; L348-L468 HydrophobicContact CB-CB 3.94Å; L348-L468 HydrophobicContact CB-CD1 4.42Å; L348-L468 HydrophobicContact CB-CD2 4.16Å; L348-L468 HydrophobicContact CB-CG 4.4Å; L348-L468 HydrophobicContact CD1-CB 4.48Å; L348-L468 HydrophobicContact CD1-CD2 4.37Å; V352-L468 HydrophobicContact CB-CD1 4.04Å; V352-L468 HydrophobicContact CG1-CD1 4.36Å; V352-L468 HydrophobicContact CG2-CD1 3.94Å; V352-L468 HydrophobicContact CG2-CD2 4.23Å; F466-L468 HydrophobicContact CB-CD1 3.89Å; F466-L468 HydrophobicContact CB-CD2 4.15Å; F466-L468 HydrophobicContact CB-CG 3.87Å; L468-A492 HydrophobicContact CD2-CB 3.78Å
469T93Very high94.6Very high17 Ų1720.5 Ų20.510%0.10410%0.1CC..  trans-71.9164.2177.958.40000111.7I343 I419 S474 R475I343-T469 HydrophobicContact CG2-CG2 3.89Å; I343-T469 PolarHBondContact O-N 2.94Å; I419-T469 HydrophobicContact CD1-CG2 4.41Å; T469-S474 WeakPolarHBondContact CB-OG 3.36Å; T469-S474 PolarHBondContact OG1-OG 2.87Å; T469-R475 VanDerWaalsContact O-CZ 3.31Å; T469-R475 PolarHBondContact O-NH2 3.3Å; T469-R475 WeakPolarHBondContact OG1-CG 3.36Å
470D86.4Confident94.6Very high76 Ų7620.5 Ų20.541%0.40610%0.1SC..SBendtrans-83.1-29.1-174.561.9-24.8000113.8
471T85.2Confident94.6Very high23 Ų2314.7 Ų14.714%0.1417%0.073CC..SBendtrans-104.6165.6-177.866.10000113.3E473 S474 R475 T566T471-E473 WeakPolarHBondContact CB-OE2 3.34Å; T471-S474 PolarHBondContact O-OG 3.34Å; T471-S474 VanDerWaalsContact O-OG 3.05Å; T471-S474 VanDerWaalsContact OG1-CB 3.26Å; T471-S474 WeakPolarHBondContact OG1-CB 3.28Å; T471-S474 PolarHBondContact OG1-N 3.39Å; T471-S474 PolarHBondContact OG1-OG 3.25Å; T471-R475 WeakPolarHBondContact O-CD 3.45Å; T471-R475 WeakPolarHBondContact O-CG 3.43Å; T471-R475 PolarHBondContact O-NE 2.96Å; T471-T566 HydrophobicContact CG2-CG2 4.34Å
472R85.9Confident94.5Very high59 Ų5911.1 Ų11.122%0.2236%0.057CC..SBendtrans-77.6-44177166.5165.2-176.5143.2-6.2110.9S474 R475 Y554 F555 D558R472-S474 VanDerWaalsContact C-N 3.33Å; R472-S474 PolarHBondContact O-N 2.87Å; R472-R475 WeakPolarHBondContact O-CB 3.31Å; R472-R475 PolarHBondContact O-N 2.82Å; R472-R475 VanDerWaalsContact O-N 3.09Å; R472-Y554 HydrophobicContact CB-CE1 4.39Å; R472-Y554 HydrophobicContact CG-CE1 3.98Å; R472-F555 HydrophobicContact CG-CE1 3.74Å; R472-F555 HydrophobicContact CG-CZ 4.35Å; R472-F555 WeakPolarHBondContact O-CZ 3.32Å; R472-D558 IonicContact CZ-OD2 3.09Å; R472-D558 IonicContact NH1-OD2 3.03Å; R472-D558 PolarHBondContact NH1-OD2 3.42Å; R472-D558 VanDerWaalsContact NH2-CG 3.31Å; R472-D558 IonicContact NH2-OD2 3.53Å; R472-D558 PolarHBondContact NH2-OD2 3.38Å
473E88.2Confident94.4Very high2 Ų211.4 Ų11.41%0.0096%0.059CC..G310 helixtrans-60.8-37.9-178.951.6-91.2-132.800112.4M421 T471 R475 W476 P562 S565 T566M421-E473 HydrophobicContact CB-CB 4.12Å; M421-E473 HydrophobicContact CB-CG 4.17Å; M421-E473 HydrophobicContact CG-CB 4.4Å; M421-E473 HydrophobicContact CG-CG 4.19Å; M421-E473 HydrophobicContact SD-CB 4.32Å; M421-E473 HydrophobicContact SD-CG 3.49Å; M421-E473 WeakPolarHBondContact SD-CG 3.43Å; T471-E473 WeakPolarHBondContact CB-OE2 3.34Å; E473-R475 PolarHBondContact O-N 2.91Å; E473-W476 WeakPolarHBondContact O-CB 3.42Å; E473-W476 PolarHBondContact O-N 2.66Å; E473-P562 HydrophobicContact CB-CB 4.5Å; E473-S565 VanDerWaalsContact CD-OG 3.31Å; E473-S565 WeakPolarHBondContact OE1-CB 3.18Å; E473-S565 PolarHBondContact OE1-N 3.49Å; E473-S565 PolarHBondContact OE1-OG 2.87Å; E473-S565 PolarHBondContact OE2-OG 3.41Å; E473-T566 WeakPolarHBondContact OE1-CG2 3.39Å
474S91.4Very high94.3Very high8 Ų810.9 Ų10.96%0.0566%0.059CC..G310 helixtrans-67.2-19.9174.758.60000114.2T469 T471 R472 P478T469-S474 WeakPolarHBondContact CB-OG 3.36Å; T469-S474 PolarHBondContact OG1-OG 2.87Å; T471-S474 PolarHBondContact O-OG 3.34Å; T471-S474 VanDerWaalsContact O-OG 3.05Å; T471-S474 VanDerWaalsContact OG1-CB 3.26Å; T471-S474 WeakPolarHBondContact OG1-CB 3.28Å; T471-S474 PolarHBondContact OG1-N 3.39Å; T471-S474 PolarHBondContact OG1-OG 3.25Å; R472-S474 VanDerWaalsContact C-N 3.33Å; R472-S474 PolarHBondContact O-N 2.87Å; S474-P478 VanDerWaalsContact O-CD 3.26Å; S474-P478 WeakPolarHBondContact O-CD 3.47Å; S474-P478 WeakPolarHBondContact O-CG 3.32Å
475R93.6Very high94.1Very high6 Ų613.7 Ų13.72%0.0237%0.071CC..G310 helixtrans-83-16.4177.1-60.6167.8-177.3-99.32.6112.7L467 T469 T471 R472 E473 T479 N491 A492 F555L467-R475 PolarHBondContact O-NH1 3.34Å; T469-R475 VanDerWaalsContact O-CZ 3.31Å; T469-R475 PolarHBondContact O-NH2 3.3Å; T469-R475 WeakPolarHBondContact OG1-CG 3.36Å; T471-R475 WeakPolarHBondContact O-CD 3.45Å; T471-R475 WeakPolarHBondContact O-CG 3.43Å; T471-R475 PolarHBondContact O-NE 2.96Å; R472-R475 WeakPolarHBondContact O-CB 3.31Å; R472-R475 PolarHBondContact O-N 2.82Å; R472-R475 VanDerWaalsContact O-N 3.09Å; E473-R475 PolarHBondContact O-N 2.91Å; R475-T479 VanDerWaalsContact O-CB 3.31Å; R475-T479 WeakPolarHBondContact O-CB 3.31Å; R475-T479 PolarHBondContact O-N 3.3Å; R475-T479 PolarHBondContact O-OG1 2.97Å; R475-N491 WeakPolarHBondContact CD-OD1 3.22Å; R475-N491 PolarHBondContact NH1-ND2 3.2Å; R475-N491 PolarHBondContact NH1-OD1 3.45Å; R475-A492 VanDerWaalsContact CZ-O 3.27Å; R475-A492 PolarHBondContact NH1-O 3.01Å; R475-A492 PolarHBondContact NH2-O 3.49Å; R475-F555 HydrophobicContact CB-CE2 4.37Å; R475-F555 HydrophobicContact CB-CZ 4.19Å
476W95.7Very high93.9Very high0 Ų014.8 Ų14.80%08%0.083CC..Hα-helixtrans-65-58.4-171.7176.379.2000112.2P422 E473 T479 V480 F555 P562 S653 F670 L671 V674 F675 L681P422-W476 HydrophobicContact CG-CB 3.99Å; P422-W476 HydrophobicContact CG-CD2 3.59Å; P422-W476 HydrophobicContact CG-CE3 3.49Å; P422-W476 VanDerWaalsContact CG-CE3 3.49Å; P422-W476 HydrophobicContact CG-CG 3.81Å; P422-W476 HydrophobicContact CG-CZ3 4.22Å; E473-W476 WeakPolarHBondContact O-CB 3.42Å; E473-W476 PolarHBondContact O-N 2.66Å; W476-T479 WeakPolarHBondContact O-CA 3.43Å; W476-T479 WeakPolarHBondContact O-CB 3.29Å; W476-T479 PolarHBondContact O-N 2.83Å; W476-V480 HydrophobicContact CD2-CG2 4.17Å; W476-V480 HydrophobicContact CH2-CG2 4.43Å; W476-V480 HydrophobicContact CZ2-CG2 3.83Å; W476-V480 WeakPolarHBondContact O-CG2 3.06Å; W476-V480 PolarHBondContact O-N 3.42Å; W476-F555 HydrophobicContact CB-CE1 4.31Å; W476-F555 HydrophobicContact CB-CE2 4.27Å; W476-F555 HydrophobicContact CB-CZ 3.74Å; W476-F555 HydrophobicContact CG-CZ 4.5Å; W476-P562 HydrophobicContact CB-CG 4.16Å; W476-P562 HydrophobicContact CG-CG 3.89Å; W476-S653 PolarHBondContact NE1-O 3.12Å; W476-F670 HydrophobicContact CH2-CE1 4.1Å; W476-F670 HydrophobicContact CH2-CZ 4.47Å; W476-F670 HydrophobicContact CZ2-CE1 4.32Å; W476-F670 HydrophobicContact CZ2-CZ 4.37Å; W476-L671 HydrophobicContact CH2-CD2 3.8Å; W476-L671 HydrophobicContact CZ3-CD2 3.95Å; W476-V674 HydrophobicContact CE3-CG1 4.4Å; W476-V674 HydrophobicContact CH2-CB 3.86Å; W476-V674 HydrophobicContact CH2-CG1 3.51Å; W476-V674 HydrophobicContact CH2-CG2 3.97Å; W476-V674 HydrophobicContact CZ2-CB 4.43Å; W476-V674 HydrophobicContact CZ2-CG1 3.79Å; W476-V674 HydrophobicContact CZ2-CG2 4.28Å; W476-V674 HydrophobicContact CZ3-CB 4.34Å; W476-V674 HydrophobicContact CZ3-CG1 3.84Å; W476-F675 HydrophobicContact CE3-CE1 4.31Å; W476-F675 AromaticContact CZ3-CE1 3.79Å; W476-F675 HydrophobicContact CZ3-CE1 3.79Å; W476-F675 HydrophobicContact CZ3-CZ 4.48Å; W476-L681 HydrophobicContact CZ2-CD1 3.79Å; W476-L681 HydrophobicContact CZ2-CD2 3.99Å
477L96.6Very high93.7Very high0 Ų016.5 Ų16.50%09%0.09CC..Hα-helixtrans-59.3-48.7-178.1173.965.2000111.8I419 L455 T479 V480 L481 L671 F675I419-L477 HydrophobicContact CG2-CB 4.28Å; I419-L477 HydrophobicContact CG2-CD2 4.19Å; L455-L477 HydrophobicContact CD2-CD2 3.81Å; L455-L477 HydrophobicContact CD2-CG 4.02Å; L477-T479 VanDerWaalsContact C-N 3.26Å; L477-T479 PolarHBondContact O-N 3.4Å; L477-V480 PolarHBondContact O-N 3.15Å; L477-L481 HydrophobicContact CD1-CD1 3.97Å; L477-L481 HydrophobicContact CD1-CD2 4.41Å; L477-L481 HydrophobicContact CD1-CG 3.96Å; L477-L481 HydrophobicContact CG-CD1 3.93Å; L477-L481 HydrophobicContact CG-CG 4.34Å; L477-L481 WeakPolarHBondContact O-CG 3.45Å; L477-L481 PolarHBondContact O-N 2.95Å; L477-L671 HydrophobicContact CD1-CD1 3.74Å; L477-L671 HydrophobicContact CD1-CD2 3.72Å; L477-L671 HydrophobicContact CD1-CG 4.37Å; L477-F675 HydrophobicContact CD2-CZ 4.09Å
478P97.2Very high93.6Very high0 Ų016.5 Ų16.50%09%0.09CC..Hα-helixtrans-54.2-38172-30.336.6000114.7I343 I419 L455 L467 S474 A482I343-P478 HydrophobicContact CD1-CB 3.68Å; I343-P478 HydrophobicContact CD1-CG 3.94Å; I343-P478 HydrophobicContact CG2-CG 4.28Å; I419-P478 HydrophobicContact CD1-CG 4.05Å; I419-P478 HydrophobicContact CG2-CG 4.37Å; L455-P478 HydrophobicContact CD2-CG 4.3Å; L467-P478 HydrophobicContact CD2-CB 3.4Å; L467-P478 HydrophobicContact CD2-CG 4.41Å; S474-P478 VanDerWaalsContact O-CD 3.26Å; S474-P478 WeakPolarHBondContact O-CD 3.47Å; S474-P478 WeakPolarHBondContact O-CG 3.32Å; P478-A482 VanDerWaalsContact O-CB 3.28Å; P478-A482 WeakPolarHBondContact O-CB 3.31Å; P478-A482 PolarHBondContact O-N 3.49Å
479T96.5Very high93.7Very high0 Ų016.1 Ų16.10%09%0.088CC..Hα-helixtrans-66.1-45.1177.6-62.60000111.5L467 R475 W476 L477 T483 H504 C553 F555 A654L467-T479 VanDerWaalsContact CD1-OG1 3.29Å; L467-T479 WeakPolarHBondContact CD1-OG1 3.24Å; R475-T479 VanDerWaalsContact O-CB 3.31Å; R475-T479 WeakPolarHBondContact O-CB 3.31Å; R475-T479 PolarHBondContact O-N 3.3Å; R475-T479 PolarHBondContact O-OG1 2.97Å; W476-T479 WeakPolarHBondContact O-CA 3.43Å; W476-T479 WeakPolarHBondContact O-CB 3.29Å; W476-T479 PolarHBondContact O-N 2.83Å; L477-T479 VanDerWaalsContact C-N 3.26Å; L477-T479 PolarHBondContact O-N 3.4Å; T479-T483 WeakPolarHBondContact O-CB 3.28Å; T479-T483 PolarHBondContact O-N 2.89Å; T479-T483 PolarHBondContact O-OG1 2.95Å; T479-H504 PolarHBondContact OG1-CE1 2.74Å; T479-C553 HydrophobicContact CG2-CB 3.92Å; T479-F555 HydrophobicContact CG2-CD2 4.15Å; T479-F555 HydrophobicContact CG2-CE2 4.34Å; T479-A654 HydrophobicContact CG2-CB 3.83Å
480V96.5Very high94Very high0 Ų015.3 Ų15.30%08%0.083CC..Hα-helixtrans-60.7-48.2176.5175.30000110.1W476 L477 T483 A484 A654 V659 Y663W476-V480 HydrophobicContact CD2-CG2 4.17Å; W476-V480 HydrophobicContact CH2-CG2 4.43Å; W476-V480 HydrophobicContact CZ2-CG2 3.83Å; W476-V480 WeakPolarHBondContact O-CG2 3.06Å; W476-V480 PolarHBondContact O-N 3.42Å; L477-V480 PolarHBondContact O-N 3.15Å; V480-T483 PolarHBondContact O-N 3.35Å; V480-A484 VanDerWaalsContact O-CB 3.24Å; V480-A484 WeakPolarHBondContact O-CB 3.27Å; V480-A484 PolarHBondContact O-N 3.5Å; V480-A654 HydrophobicContact CG2-CB 4.22Å; V480-V659 HydrophobicContact CG2-CG1 4.26Å; V480-Y663 HydrophobicContact CG1-CD1 4.49Å; V480-Y663 HydrophobicContact CG1-CG 4.29Å
481L97Very high94.5Very high1 Ų111.7 Ų11.71%0.0056%0.064CC..Hα-helixtrans-63.6-46.3-179.3-66.7175.2000112.4L455 V459 L477 T483 A484 H485 Y663L455-L481 HydrophobicContact CB-CD1 4.25Å; L455-L481 HydrophobicContact CD2-CD1 3.76Å; L455-L481 HydrophobicContact CG-CD1 3.68Å; V459-L481 HydrophobicContact CB-CB 4.47Å; V459-L481 HydrophobicContact CG1-CB 4.27Å; V459-L481 HydrophobicContact CG2-CB 4.23Å; L477-L481 HydrophobicContact CD1-CD1 3.97Å; L477-L481 HydrophobicContact CD1-CD2 4.41Å; L477-L481 HydrophobicContact CD1-CG 3.96Å; L477-L481 HydrophobicContact CG-CD1 3.93Å; L477-L481 HydrophobicContact CG-CG 4.34Å; L477-L481 WeakPolarHBondContact O-CG 3.45Å; L477-L481 PolarHBondContact O-N 2.95Å; L481-T483 VanDerWaalsContact C-N 3.31Å; L481-T483 PolarHBondContact O-N 3.41Å; L481-A484 PolarHBondContact O-N 3.1Å; L481-H485 WeakPolarHBondContact O-CB 3.23Å; L481-H485 PolarHBondContact O-CD2 3.31Å; L481-H485 PolarHBondContact O-N 3.32Å; L481-Y663 HydrophobicContact CD2-CE1 4.04Å; L481-Y663 HydrophobicContact CD2-CE2 4.15Å; L481-Y663 WeakPolarHBondContact CD2-OH 3.45Å
482A96.6Very high95Very high0 Ų010.6 Ų10.60%06%0.057CC..Hα-helixtrans-61.3-42.1177.900000111.4V459 I465 P478 G486 K487 A489V459-A482 HydrophobicContact CG1-CB 4.47Å; I465-A482 HydrophobicContact CG1-CB 4.32Å; P478-A482 VanDerWaalsContact O-CB 3.28Å; P478-A482 WeakPolarHBondContact O-CB 3.31Å; P478-A482 PolarHBondContact O-N 3.49Å; A482-G486 PolarHBondContact O-N 3.19Å; A482-G486 VanDerWaalsContact O-N 3.12Å; A482-K487 HydrophobicContact CB-CB 4.33Å; A482-K487 PolarHBondContact O-N 3.04Å; A482-A489 HydrophobicContact CB-CB 3.89Å
483T95.1Very high95.3Very high8 Ų88.4 Ų8.45%0.0495%0.052CC..Hα-helixtrans-66.3-44.5176.7-50.80000111.3T479 V480 L481 H485 G486 C655 L660T479-T483 WeakPolarHBondContact O-CB 3.28Å; T479-T483 PolarHBondContact O-N 2.89Å; T479-T483 PolarHBondContact O-OG1 2.95Å; V480-T483 PolarHBondContact O-N 3.35Å; L481-T483 VanDerWaalsContact C-N 3.31Å; L481-T483 PolarHBondContact O-N 3.41Å; T483-H485 VanDerWaalsContact C-N 3.31Å; T483-H485 PolarHBondContact O-N 3.3Å; T483-G486 PolarHBondContact O-N 2.73Å; T483-C655 HydrophobicContact CG2-CB 4.04Å; T483-L660 HydrophobicContact CG2-CD1 3.83Å; T483-L660 HydrophobicContact CG2-CD2 3.9Å; T483-L660 HydrophobicContact CG2-CG 4.45Å
484A94.5Very high95.5Very high20 Ų209.6 Ų9.617%0.1656%0.058CC..Hα-helixtrans-64.1-35.2-178.800000112.8V480 L481 L660 Y663V480-A484 VanDerWaalsContact O-CB 3.24Å; V480-A484 WeakPolarHBondContact O-CB 3.27Å; V480-A484 PolarHBondContact O-N 3.5Å; L481-A484 PolarHBondContact O-N 3.1Å; A484-L660 HydrophobicContact CB-CD2 4.23Å; A484-Y663 HydrophobicContact CB-CD1 3.88Å; A484-Y663 HydrophobicContact CB-CE1 3.92Å
485H94.4Very high95.3Very high58 Ų5810.5 Ų10.527%0.2697%0.068SC..THydrogen-bonded Turntrans-92.52.8179.5-68-59000114.2S456 V459 L481 T483 K487S456-H485 PolarHBondContact OG-NE2 3.35Å; V459-H485 HydrophobicContact CG1-CB 4.36Å; L481-H485 WeakPolarHBondContact O-CB 3.23Å; L481-H485 PolarHBondContact O-CD2 3.31Å; L481-H485 PolarHBondContact O-N 3.32Å; T483-H485 VanDerWaalsContact C-N 3.31Å; T483-H485 PolarHBondContact O-N 3.3Å; H485-K487 HydrophobicContact CB-CG 3.98Å; H485-K487 PolarHBondContact O-N 2.9Å
486G94.1Very high95Very high23 Ų2316.1 Ų16.124%0.2379%0.093CC..THydrogen-bonded Turntrans64.737.2179.500000113.7A482 T483 V506A482-G486 PolarHBondContact O-N 3.19Å; A482-G486 VanDerWaalsContact O-N 3.12Å; T483-G486 PolarHBondContact O-N 2.73Å; G486-V506 WeakPolarHBondContact O-CG1 3.48Å
487K95.4Very high94.7Very high37 Ų3717.8 Ų17.816%0.16110%0.102CC..  trans-99.3145.9-179.6-57.6-59-170.6157.80111.5V459 Q460 H462 I465 A482 H485 A489V459-K487 HydrophobicContact CG1-CG 4.01Å; V459-K487 WeakPolarHBondContact O-CE 3.35Å; Q460-K487 VanDerWaalsContact O-CE 3.28Å; Q460-K487 WeakPolarHBondContact O-CE 3.45Å; Q460-K487 PolarHBondContact O-NZ 3.29Å; H462-K487 VanDerWaalsContact O-CD 3.25Å; H462-K487 WeakPolarHBondContact O-CD 3.2Å; H462-K487 WeakPolarHBondContact O-CE 3.2Å; H462-K487 PolarHBondContact O-NZ 2.81Å; I465-K487 HydrophobicContact CG1-CB 4Å; A482-K487 HydrophobicContact CB-CB 4.33Å; A482-K487 PolarHBondContact O-N 3.04Å; H485-K487 HydrophobicContact CB-CG 3.98Å; H485-K487 PolarHBondContact O-N 2.9Å; K487-A489 PolarHBondContact O-N 3.27Å
488L96.5Very high94.5Very high1 Ų119.9 Ų19.91%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-71.4115.9173.2178.766.8000109.3D463 V464 I465 I490 R503 V506 V597 Y604D463-L488 PolarHBondContact O-N 3.14Å; V464-L488 WeakPolarHBondContact CA-O 3.35Å; V464-L488 HydrophobicContact CG1-CD2 4.25Å; V464-L488 HydrophobicContact CG1-CG 4.46Å; V464-L488 HydrophobicContact CG2-CD2 4.13Å; I465-L488 PolarHBondContact N-O 2.77Å; L488-I490 HydrophobicContact CD2-CD1 4.34Å; L488-I490 HydrophobicContact CG-CG1 4.36Å; L488-R503 HydrophobicContact CD1-CB 4.24Å; L488-V506 HydrophobicContact CB-CG2 4.38Å; L488-V506 HydrophobicContact CD1-CG2 4.26Å; L488-V597 HydrophobicContact CD1-CG1 4.44Å; L488-V597 HydrophobicContact CD2-CB 4.3Å; L488-V597 HydrophobicContact CD2-CG1 3.72Å; L488-Y604 HydrophobicContact CB-CD1 3.92Å; L488-Y604 HydrophobicContact CB-CE1 3.86Å; L488-Y604 HydrophobicContact CB-CG 4.48Å; L488-Y604 HydrophobicContact CD1-CD1 4.28Å; L488-Y604 HydrophobicContact CD2-CD1 3.9Å; L488-Y604 HydrophobicContact CD2-CE1 3.89Å; L488-Y604 HydrophobicContact CG-CD1 4.25Å; L488-Y604 HydrophobicContact CG-CE1 4.42Å
489A97.9Very high94.3Very high0 Ų020.4 Ų20.40%012%0.117CC..EExtended strand (participates in β ladder)trans-102.5128.9172.100000110.7I465 L467 A482 K487 R503 H504I465-A489 CarbonylContact O-C 3.45Å; I465-A489 VanDerWaalsContact O-CA 3.26Å; I465-A489 WeakPolarHBondContact O-CA 3.44Å; L467-A489 HydrophobicContact CD1-CB 4.5Å; A482-A489 HydrophobicContact CB-CB 3.89Å; K487-A489 PolarHBondContact O-N 3.27Å; A489-R503 CarbonylContact O-C 3.35Å; A489-R503 WeakPolarHBondContact O-CA 3.13Å; A489-H504 HydrophobicContact CB-CB 4.14Å; A489-H504 WeakPolarHBondContact CB-ND1 3.18Å; A489-H504 PolarHBondContact O-N 3.38Å
490I98.3Very high94.2Very high0 Ų021.1 Ų21.10%012%0.121CC..EExtended strand (participates in β ladder)trans-114115.6172.7-61.7176.2000108.2V464 I465 F466 L467 L488 V501 M502 R503 A590 M594V464-I490 HydrophobicContact CG1-CD1 4.06Å; V464-I490 HydrophobicContact CG1-CG1 4.39Å; I465-I490 PolarHBondContact O-N 3.36Å; F466-I490 CarbonylContact C-O 3.6Å; F466-I490 WeakPolarHBondContact CA-O 3.27Å; F466-I490 HydrophobicContact CD1-CB 3.93Å; F466-I490 HydrophobicContact CD1-CG2 4.02Å; F466-I490 HydrophobicContact CE1-CB 3.95Å; F466-I490 HydrophobicContact CE1-CD1 3.99Å; F466-I490 HydrophobicContact CE1-CG2 3.91Å; F466-I490 HydrophobicContact CZ-CD1 4.05Å; L467-I490 PolarHBondContact N-O 3.28Å; L488-I490 HydrophobicContact CD2-CD1 4.34Å; L488-I490 HydrophobicContact CG-CG1 4.36Å; I490-V501 HydrophobicContact CG2-CG1 4.41Å; I490-M502 CarbonylContact C-O 3.51Å; I490-M502 WeakPolarHBondContact CA-O 3.15Å; I490-R503 HydrophobicContact CG1-CB 4.49Å; I490-A590 HydrophobicContact CG2-CB 4Å; I490-M594 HydrophobicContact CD1-CB 3.45Å; I490-M594 VanDerWaalsContact CD1-CB 3.45Å; I490-M594 HydrophobicContact CD1-CG 4.02Å
491N97.4Very high94.2Very high0 Ų021.1 Ų21.10%012%0.121CC..EExtended strand (participates in β ladder)trans-102.7124.9-176.6-173.980.5000110L467 R475 V501 M502 Y554L467-N491 HydrophobicContact CB-CB 4.26Å; L467-N491 WeakPolarHBondContact CB-OD1 3.41Å; L467-N491 HydrophobicContact CD1-CB 4.42Å; R475-N491 WeakPolarHBondContact CD-OD1 3.22Å; R475-N491 PolarHBondContact NH1-ND2 3.2Å; R475-N491 PolarHBondContact NH1-OD1 3.45Å; N491-V501 CarbonylContact O-C 3.42Å; N491-V501 VanDerWaalsContact O-CA 3.31Å; N491-V501 WeakPolarHBondContact O-CA 3.4Å; N491-M502 HydrophobicContact CB-CG 3.93Å; N491-M502 PolarHBondContact N-O 3.08Å; N491-M502 PolarHBondContact O-N 3.43Å; N491-Y554 WeakPolarHBondContact ND2-CD2 3.23Å
492A96.2Very high94.2Very high0 Ų021.1 Ų21.10%012%0.121CC..EExtended strand (participates in β ladder)trans-122126.9172.800000110.3L348 L467 L468 R475 L500 V501 A590L348-A492 HydrophobicContact CD1-CB 4.06Å; L348-A492 VanDerWaalsContact CD1-O 3.28Å; L348-A492 WeakPolarHBondContact CD1-O 3.24Å; L348-A492 HydrophobicContact CD2-CB 4.19Å; L467-A492 PolarHBondContact O-N 3.05Å; L467-A492 VanDerWaalsContact O-N 3.09Å; L468-A492 HydrophobicContact CD2-CB 3.78Å; R475-A492 VanDerWaalsContact CZ-O 3.27Å; R475-A492 PolarHBondContact NH1-O 3.01Å; R475-A492 PolarHBondContact NH2-O 3.49Å; A492-L500 CarbonylContact C-O 3.54Å; A492-L500 VanDerWaalsContact CA-O 3.27Å; A492-L500 WeakPolarHBondContact CA-O 3.39Å; A492-V501 HydrophobicContact CB-CG2 4.24Å; A492-A590 HydrophobicContact CB-CB 4.36Å
493A92.3Very high94.2Very high13 Ų1321.2 Ų21.211%0.10712%0.121CC..EExtended strand (participates in β ladder)trans-132.3149.1-17900000110.9F499 L500 Y554A493-F499 WeakPolarHBondContact O-CA 3.42Å; A493-L500 PolarHBondContact N-O 3.15Å; A493-L500 PolarHBondContact O-N 3.41Å; A493-Y554 HydrophobicContact CB-CE2 4.45Å
494L91.8Very high94.3Very high26 Ų2621 Ų2114%0.13612%0.12CC..EExtended strand (participates in β ladder)trans-120.4135.7-174.6-51.1178.5000110.8T347 L348 F499 T578 V582 A586T347-L494 HydrophobicContact CG2-CD1 3.87Å; L348-L494 HydrophobicContact CD1-CD1 4.23Å; L348-L494 HydrophobicContact CD1-CD2 4.36Å; L348-L494 HydrophobicContact CD1-CG 3.97Å; L348-L494 HydrophobicContact CD2-CD1 4.42Å; L348-L494 HydrophobicContact CD2-CD2 4.06Å; L348-L494 HydrophobicContact CD2-CG 4.42Å; L348-L494 HydrophobicContact CG-CD1 3.99Å; L348-L494 HydrophobicContact CG-CD2 4.36Å; L348-L494 HydrophobicContact CG-CG 4.18Å; L494-F499 HydrophobicContact CD2-CB 4.14Å; L494-T578 HydrophobicContact CB-CG2 3.99Å; L494-T578 HydrophobicContact CD1-CG2 4.38Å; L494-V582 HydrophobicContact CD2-CG1 3.78Å; L494-A586 HydrophobicContact CD2-CB 3.72Å
495G88.1Confident94.2Very high27 Ų2720.4 Ų20.428%0.27812%0.116SC..  trans-100.6-168.2158.100000110.9T498 T578G495-T498 PolarHBondContact N-O 2.88Å; G495-T578 WeakPolarHBondContact O-CG2 3.03Å
496F87.6Confident94.1Very high124 Ų12418.1 Ų18.154%0.54411%0.106SC..SBendtrans-58.6-54.8178.5171.3-104.2000112.3V577 T578 R579F496-V577 HydrophobicContact CD2-CG1 4.24Å; F496-V577 VanDerWaalsContact CD2-O 3.27Å; F496-V577 WeakPolarHBondContact CD2-O 3.28Å; F496-T578 WeakPolarHBondContact O-CA 3.17Å; F496-R579 HydrophobicContact CE1-CG 4.41Å; F496-R579 HydrophobicContact CZ-CG 4.22Å; F496-R579 PolarHBondContact O-N 2.88Å
497D89.8Confident93.4Very high36 Ų3620.5 Ų20.519%0.19311%0.108CC..SBendtrans-12811.3179.269.2-28.2000112.8L636 S637D497-L636 HydrophobicContact CB-CB 4.5Å; D497-L636 WeakPolarHBondContact O-CB 3.26Å; D497-L636 PolarHBondContact O-N 2.79Å; D497-S637 WeakPolarHBondContact OD2-CB 3.27Å; D497-S637 PolarHBondContact OD2-OG 3.02Å
498T91.7Very high91.9Very high44 Ų4421.1 Ų21.127%0.2712%0.124SC..EExtended strand (participates in β ladder)trans-122158.2-17957.70000111.5G495 V582 G634 F635G495-T498 PolarHBondContact N-O 2.88Å; T498-V582 VanDerWaalsContact O-CG1 3.27Å; T498-V582 WeakPolarHBondContact O-CG1 3.38Å; T498-G634 VanDerWaalsContact CA-O 3.22Å; T498-G634 WeakPolarHBondContact CA-O 3.44Å; T498-F635 HydrophobicContact CG2-CD1 3.45Å; T498-F635 VanDerWaalsContact CG2-CD1 3.45Å; T498-F635 HydrophobicContact CG2-CE1 3.93Å; T498-F635 HydrophobicContact CG2-CG 4.28Å
499F92.9Very high89.8Confident10 Ų1027.5 Ų27.54%0.04417%0.165CC..EExtended strand (participates in β ladder)trans-142.9158.1171.762.8-94.1000111.8A493 L494 V501 V582 V585 A586 L589 I632 R633 G634A493-F499 WeakPolarHBondContact O-CA 3.42Å; L494-F499 HydrophobicContact CD2-CB 4.14Å; F499-V501 HydrophobicContact CD2-CG2 4.23Å; F499-V582 HydrophobicContact CB-CG1 3.78Å; F499-V582 HydrophobicContact CD1-CG1 4.06Å; F499-V582 HydrophobicContact CG-CG1 4.4Å; F499-V585 HydrophobicContact CD1-CG1 4.47Å; F499-V585 HydrophobicContact CE1-CB 4.2Å; F499-V585 HydrophobicContact CE1-CG1 3.56Å; F499-V585 HydrophobicContact CE2-CG1 4.46Å; F499-V585 HydrophobicContact CZ-CG1 3.55Å; F499-A586 HydrophobicContact CB-CB 3.85Å; F499-A586 HydrophobicContact CD2-CB 4.14Å; F499-A586 HydrophobicContact CG-CB 4Å; F499-L589 HydrophobicContact CE2-CD1 3.39Å; F499-L589 HydrophobicContact CZ-CD1 3.5Å; F499-L589 VanDerWaalsContact CZ-CD1 3.5Å; F499-I632 HydrophobicContact CE2-CG2 4.27Å; F499-R633 WeakPolarHBondContact O-CA 3.48Å; F499-G634 PolarHBondContact N-O 3.15Å; F499-G634 PolarHBondContact O-N 3.28Å
500L94.4Very high87.2Confident16 Ų1632.2 Ų32.28%0.08419%0.186CC..EExtended strand (participates in β ladder)trans-125.6129.3168.5171.770.3000108.5A492 A493 M502 Y554 Q631 I632 R633A492-L500 CarbonylContact C-O 3.54Å; A492-L500 VanDerWaalsContact CA-O 3.27Å; A492-L500 WeakPolarHBondContact CA-O 3.39Å; A493-L500 PolarHBondContact N-O 3.15Å; A493-L500 PolarHBondContact O-N 3.41Å; L500-M502 HydrophobicContact CD2-SD 4.12Å; L500-Y554 HydrophobicContact CD2-CD2 3.76Å; L500-Y554 HydrophobicContact CD2-CE2 3.62Å; L500-Q631 HydrophobicContact CD1-CB 4.07Å; L500-Q631 HydrophobicContact CD1-CG 4.45Å; L500-I632 WeakPolarHBondContact CA-O 3.29Å; L500-R633 HydrophobicContact CD1-CG 3.62Å
501V96.7Very high84.7Confident0 Ų041.6 Ų41.60%023%0.227CC..EExtended strand (participates in β ladder)trans-121.3132.6165.4174.80000107.5I490 N491 A492 F499 A586 L589 A590 L593 Q631 I632I490-V501 HydrophobicContact CG2-CG1 4.41Å; N491-V501 CarbonylContact O-C 3.42Å; N491-V501 VanDerWaalsContact O-CA 3.31Å; N491-V501 WeakPolarHBondContact O-CA 3.4Å; A492-V501 HydrophobicContact CB-CG2 4.24Å; F499-V501 HydrophobicContact CD2-CG2 4.23Å; V501-A586 HydrophobicContact CG2-CB 4.18Å; V501-A586 VanDerWaalsContact CG2-O 3.31Å; V501-A586 WeakPolarHBondContact CG2-O 3.47Å; V501-L589 HydrophobicContact CG2-CB 4.22Å; V501-A590 HydrophobicContact CG1-CB 3.92Å; V501-A590 HydrophobicContact CG2-CB 4.4Å; V501-L593 HydrophobicContact CG1-CD2 4.07Å; V501-Q631 CarbonylContact O-C 3.24Å; V501-Q631 WeakPolarHBondContact O-CA 3.39Å; V501-I632 HydrophobicContact CB-CB 4.34Å; V501-I632 PolarHBondContact N-O 2.93Å; V501-I632 PolarHBondContact O-N 3.2Å
502M96.5Very high81.8Confident1 Ų144.6 Ų44.61%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-150.9153.3176.266.7-178.4-6600112.5I490 N491 L500 C553 Y554 H630 Q631I490-M502 CarbonylContact C-O 3.51Å; I490-M502 WeakPolarHBondContact CA-O 3.15Å; N491-M502 HydrophobicContact CB-CG 3.93Å; N491-M502 PolarHBondContact N-O 3.08Å; N491-M502 PolarHBondContact O-N 3.43Å; L500-M502 HydrophobicContact CD2-SD 4.12Å; M502-C553 VanDerWaalsContact CE-C 3.48Å; M502-Y554 HydrophobicContact SD-CD2 4.08Å; M502-H630 CarbonylContact C-O 3.57Å; M502-H630 WeakPolarHBondContact CA-O 3.33Å; M502-H630 WeakPolarHBondContact CB-O 3.43Å; M502-H630 WeakPolarHBondContact CE-NE2 3.47Å; M502-Q631 HydrophobicContact CB-CB 4.15Å; M502-Q631 HydrophobicContact CB-CG 3.78Å; M502-Q631 HydrophobicContact CE-CG 4.14Å; M502-Q631 HydrophobicContact SD-CG 4.41Å
503R97Very high79.3Confident1 Ų146.8 Ų46.80%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-101.2140.3168.462.7-179.3177.3111.7-6.8110.1L488 A489 I490 L551 L593 A606 V628 P629 H630L488-R503 HydrophobicContact CD1-CB 4.24Å; A489-R503 CarbonylContact O-C 3.35Å; A489-R503 WeakPolarHBondContact O-CA 3.13Å; I490-R503 HydrophobicContact CG1-CB 4.49Å; R503-L551 HydrophobicContact CG-CD1 4.32Å; R503-L551 VanDerWaalsContact NH1-CD1 3.28Å; R503-L593 HydrophobicContact CB-CD2 4.03Å; R503-L593 HydrophobicContact CG-CD2 4.3Å; R503-A606 VanDerWaalsContact CZ-O 3.3Å; R503-A606 PolarHBondContact NH1-O 3.39Å; R503-A606 PolarHBondContact NH2-O 2.94Å; R503-V628 PolarHBondContact NH2-O 2.69Å; R503-V628 VanDerWaalsContact NH2-O 3.08Å; R503-P629 PolarHBondContact NE-O 3.37Å; R503-H630 PolarHBondContact N-O 3.03Å; R503-H630 PolarHBondContact O-CD2 3.12Å; R503-H630 PolarHBondContact O-NE2 3.32Å
504H96.6Very high76.5Confident5 Ų550.9 Ų50.92%0.02329%0.29CS..PPolyproline II helixtrans-82.3153.5173.6-62.3176.6000110.8T479 A489 C553 Y554T479-H504 PolarHBondContact OG1-CE1 2.74Å; A489-H504 HydrophobicContact CB-CB 4.14Å; A489-H504 WeakPolarHBondContact CB-ND1 3.18Å; A489-H504 PolarHBondContact O-N 3.38Å; H504-C553 HydrophobicContact CB-CB 4.32Å; H504-Y554 PolarHBondContact NE2-N 3.42Å
505G93.6Very high73.8Confident7 Ų755.5 Ų55.57%0.07232%0.315CS..PPolyproline II helixtrans-68.3136168.300000111.8G548 L551G505-G548 WeakPolarHBondContact CA-O 3.44Å; G505-L551 WeakPolarHBondContact CA-O 3.29Å; G505-L551 PolarHBondContact N-O 2.85Å
506V91.1Very high70.9Confident9 Ų960 Ų606%0.05534%0.342CS..PPolyproline II helixtrans-96.5126.8179.8-179.80000109.2G486 L488 S549 Y604G486-V506 WeakPolarHBondContact O-CG1 3.48Å; L488-V506 HydrophobicContact CB-CG2 4.38Å; L488-V506 HydrophobicContact CD1-CG2 4.26Å; V506-S549 WeakPolarHBondContact O-CA 3.44Å; V506-Y604 HydrophobicContact CG1-CD2 4.34Å; V506-Y604 HydrophobicContact CG2-CD2 4.36Å; V506-Y604 HydrophobicContact CG2-CG 4.15Å
507R78.9Confident68.3Low74 Ų7458.8 Ų58.828%0.27934%0.344SS..  trans-115107.4179.8-61.1-175.6-177.1173.57.2110.4C655R507-C655 PolarHBondContact NH1-O 2.86Å; R507-C655 PolarHBondContact NH2-O 3.49Å
508G65.3Low65.3Low49 Ų4965 Ų6551%0.50538%0.377SS..SBendtrans153.1165.1171.600000114.3F510G508-F510 PolarHBondContact O-N 3.09Å
509P51.6Low62.3Low135 Ų13567.2 Ų67.288%0.87740%0.395SS*.  trans-66120.2175.226.4-31.5000110.2
510F44.2Very low59.4Low100 Ų10075.1 Ų75.144%0.43944%0.437SS..  trans-60.5136.9-177.6176.2-109.5000112.5G508 S512 L603 Y604G508-F510 PolarHBondContact O-N 3.09Å; F510-S512 VanDerWaalsContact CE1-N 3.32Å; F510-S512 VanDerWaalsContact CE1-OG 3.28Å; F510-S512 WeakPolarHBondContact CE1-OG 3.47Å; F510-L603 HydrophobicContact CE1-CD1 4.01Å; F510-L603 HydrophobicContact CE2-CD1 3.73Å; F510-L603 HydrophobicContact CZ-CD1 3.19Å; F510-Y604 HydrophobicContact CD2-CD2 4.07Å; F510-Y604 AromaticContact CD2-CE2 3.99Å; F510-Y604 HydrophobicContact CD2-CE2 3.99Å; F510-Y604 HydrophobicContact CE2-CD2 4.13Å; F510-Y604 AromaticContact CE2-CE2 3.76Å; F510-Y604 HydrophobicContact CE2-CE2 3.76Å
511K44.3Very low56.3Low196 Ų19680.4 Ų80.485%0.85247%0.47SS*.  trans-113.8106.8159.6-71.5-174-179.4-178.50107.6
512S38.1Very low53Low64 Ų6486 Ų8645%0.44851%0.506SS..  trans-57.7135.3174.40.60000110.8F510 S514F510-S512 VanDerWaalsContact CE1-N 3.32Å; F510-S512 VanDerWaalsContact CE1-OG 3.28Å; F510-S512 WeakPolarHBondContact CE1-OG 3.47Å; S512-S514 VanDerWaalsContact C-N 3.3Å; S512-S514 PolarHBondContact O-N 2.82Å
513P42.2Very low49.8Very low46 Ų4693.3 Ų93.330%0.29955%0.545SS..SBendtrans-66.297.9157.823.1-22.2000107.6
514S34.6Very low46.7Very low99 Ų99100.8 Ų100.869%0.69258%0.583SS**SBendtrans36.982.8166.756.40000117.2S512S512-S514 VanDerWaalsContact C-N 3.3Å; S512-S514 PolarHBondContact O-N 2.82Å
515L34.3Very low43.4Very low123 Ų123105.9 Ų105.964%0.64462%0.619SS**  trans-126.296.1150.8-91.5150.7000107V517L515-V517 HydrophobicContact CD2-CG2 3.99Å; L515-V517 PolarHBondContact O-N 3.32Å
516S26.9Very low40.3Very low121 Ų121110.7 Ų110.785%0.84665%0.652SS**  trans-80.887.9161.353.20000107.5
517V33.4Very low37.3Very low99 Ų99118.2 Ų118.260%0.669%0.691SS**  trans-139.297.9169.8-172.10000109L515 S519L515-V517 HydrophobicContact CD2-CG2 3.99Å; L515-V517 PolarHBondContact O-N 3.32Å; V517-S519 PolarHBondContact O-N 3.05Å; V517-S519 VanDerWaalsContact O-N 3.08Å
518D27Very low34.7Very low165 Ų165119.2 Ų119.288%0.88271%0.71SS**  trans-52.7101.6150.6-69.9-48000108.7
519S28Very low33.1Very low92 Ų92126.7 Ų126.764%0.64373%0.729SS**  trans16090.8150.838.30000109.9V517V517-S519 PolarHBondContact O-N 3.05Å; V517-S519 VanDerWaalsContact O-N 3.08Å
520L32.6Very low32.1Very low176 Ų176127.3 Ų127.392%0.92172%0.724SS**  trans176.5117.4137.7-89.1156000106.5
521T28.6Very low31.3Very low127 Ų127131 Ų13178%0.77974%0.743SS**  trans-53.1146.1-172.940.40000114.3
522P28.6Very low30.6Very low116 Ų116126.2 Ų126.275%0.75374%0.74SS**  trans-87.7129.2174.434.6-27.4000109.9
523D27.8Very low30.2Very low155 Ų155130.5 Ų130.583%0.82976%0.757SS**  trans-142.152.5168.9-108.9-14.9000110.2
524I33.1Very low29.8Very low158 Ų158132.6 Ų132.681%0.8177%0.77SS**  trans-143.569.6161.3-49178.5000108.3
525S26.5Very low29.7Very low112 Ų112134.7 Ų134.778%0.78377%0.773SS**  trans-127.768.216963.10000109.9
526S28.2Very low29.7Very low108 Ų108137.8 Ų137.876%0.75578%0.782SS**  trans-169.660.4168.163.50000112.2
527L28.2Very low30.1Very low167 Ų167140.9 Ų140.987%0.87478%0.783SS**  trans-134.497.3161.4-78.5168.3000108
528S25.3Very low30.2Very low96 Ų96142.3 Ų142.367%0.67179%0.787SS**  trans-61.5145.6169.540.30000110.6D530S528-D530 PolarHBondContact O-N 3.34Å; S528-D530 VanDerWaalsContact O-N 3.13Å
529F32Very low30.5Very low206 Ų206136.4 Ų136.490%0.90476%0.759SS**THydrogen-bonded Turntrans-72.4-0.8-167.3-157.2-102.1000115
530D29.4Very low30.7Very low147 Ų147140.8 Ų140.879%0.78677%0.767SS**THydrogen-bonded Turntrans-12213.6-163.9-71.7-34.2000116.8S528S528-D530 PolarHBondContact O-N 3.34Å; S528-D530 VanDerWaalsContact O-N 3.13Å
531E28.3Very low30.9Very low177 Ų177139.8 Ų139.883%0.82776%0.755SS**  trans-13179.9178-70.9-171.9165.400113
532A30.3Very low31.5Very low96 Ų96142.9 Ų142.979%0.79376%0.758SS**  trans-148.562.4166.100000112.2
533I29.5Very low32.5Very low155 Ų155140.6 Ų140.680%0.79575%0.748SS**  trans-104.296.3152-56.6174.5000106.1N535I533-N535 PolarHBondContact O-N 3.5Å
534P33Very low34.4Very low90 Ų90139.1 Ų139.158%0.58473%0.731SS**  trans-84.8103.6-178.126.1-18.9000110.1
535N32.9Very low36.7Very low142 Ų142133.8 Ų133.876%0.75971%0.71SS**  trans-63.4130.3162.8-81.9-36.5000110.6I533I533-N535 PolarHBondContact O-N 3.5Å
536K34.5Very low39.7Very low189 Ų189129.5 Ų129.582%0.82268%0.679SS**SBendtrans60.5110153.5-66.9179.8176.4179.90118.6D538K536-D538 PolarHBondContact O-N 2.88Å
537E34.8Very low42.7Very low185 Ų185126.5 Ų126.586%0.86466%0.657SS**SBendtrans66.3-30.4156.3-66.5-177.1166.100120.6
538D35.5Very low45.6Very low129 Ų129118.5 Ų118.569%0.6962%0.616SS**G310 helixtrans-89.1-5.5-179.9-119-9.1000114.4K536K536-D538 PolarHBondContact O-N 2.88Å
539S34.1Very low48.8Very low42 Ų42115.5 Ų115.529%0.29459%0.594SS.*G310 helixtrans-76.6-21.3-177.143.80000114.7K541 K542S539-K541 VanDerWaalsContact C-N 3.27Å; S539-K541 PolarHBondContact O-N 2.84Å; S539-K542 PolarHBondContact O-N 2.88Å
540F32.4Very low51.7Low183 Ų183110.2 Ų110.280%0.80358%0.575SS**G310 helixtrans-68.4-23.9179.6-98.9-89.8000113.5
541K35.4Very low54.8Low156 Ų156103.3 Ų103.368%0.67854%0.538SS*.G310 helixtrans-82-21.4176.2-76179.4180170.40113.9S539S539-K541 VanDerWaalsContact C-N 3.27Å; S539-K541 PolarHBondContact O-N 2.84Å
542K42.5Very low57.9Low192 Ų19294.9 Ų94.984%0.83550%0.499SS*.THydrogen-bonded Turntrans-84.5-12.8177.3-86.3-179.1175.5177.10113.8S539 R544S539-K542 PolarHBondContact O-N 2.88Å; K542-R544 PolarHBondContact O-N 2.92Å
543A50Low61Low67 Ų6790.4 Ų90.455%0.55446%0.462SS*.THydrogen-bonded Turntrans-83.924.5178.800000114.4T610A543-T610 PolarHBondContact O-OG1 3.37Å; A543-T610 VanDerWaalsContact O-OG1 3.1Å
544R67.2Low64Low125 Ų12585.3 Ų85.347%0.47243%0.433SS..THydrogen-bonded Turntrans-80.9-23-176.9-76.5-176174.9-175.8-4.5114.4K542 T610K542-R544 PolarHBondContact O-N 2.92Å; R544-T610 VanDerWaalsContact C-OG1 3.32Å; R544-T610 PolarHBondContact O-N 3.28Å; R544-T610 VanDerWaalsContact O-N 3.14Å; R544-T610 PolarHBondContact O-OG1 3.25Å
545A82Confident66.9Low45 Ų4581 Ų8137%0.37241%0.405SS..EExtended strand (participates in β ladder)trans-151.9144.5179.100000111.3P607 A608A545-P607 HydrophobicContact CB-CB 3.96Å; A545-A608 CarbonylContact C-O 3.6Å; A545-A608 VanDerWaalsContact CA-O 3.28Å; A545-A608 WeakPolarHBondContact CA-O 3.17Å
546I88.6Confident69.7Low23 Ų2374.7 Ų74.712%0.11837%0.371CS..EExtended strand (participates in β ladder)trans-97126.2175.9-59.5171.8000108.4L550 L551 P607 A608 T610 A645 L647I546-L550 HydrophobicContact CG2-CB 3.94Å; I546-L551 HydrophobicContact CB-CD2 3.83Å; I546-L551 HydrophobicContact CG2-CD2 3.59Å; I546-L551 HydrophobicContact CG2-CG 4.4Å; I546-P607 CarbonylContact O-C 3.51Å; I546-P607 VanDerWaalsContact O-CA 3.24Å; I546-P607 WeakPolarHBondContact O-CA 3.27Å; I546-A608 PolarHBondContact N-O 3.11Å; I546-A608 PolarHBondContact O-N 2.9Å; I546-T610 HydrophobicContact CD1-CG2 4.11Å; I546-T610 HydrophobicContact CG1-CG2 4.06Å; I546-A645 HydrophobicContact CD1-CB 3.91Å; I546-L647 HydrophobicContact CB-CD2 4.5Å; I546-L647 HydrophobicContact CD1-CD2 4.29Å; I546-L647 HydrophobicContact CD1-CG 4.07Å; I546-L647 HydrophobicContact CG1-CD2 4.26Å; I546-L647 HydrophobicContact CG1-CG 4.49Å; I546-L647 HydrophobicContact CG2-CD2 3.49Å; I546-L647 VanDerWaalsContact CG2-CD2 3.49Å; I546-L647 HydrophobicContact CG2-CG 4.38Å
547S90.3Very high71.9Confident44 Ų4469.5 Ų69.531%0.30835%0.353SS..  trans-55.7143.6175.4-173.80000111.6S549 L550 L551 E605S547-S549 VanDerWaalsContact C-N 3.28Å; S547-S549 PolarHBondContact O-N 2.92Å; S547-S549 PolarHBondContact OG-OG 2.8Å; S547-L550 PolarHBondContact O-N 3.42Å; S547-L551 PolarHBondContact O-N 3.05Å; S547-E605 PolarHBondContact OG-OE2 3.38Å
548G90.7Very high73.6Confident0 Ų063.1 Ų63.10%033%0.325CS..G310 helixtrans-54.2-40.9-179.400000113.7G505 L550 L551 Y604 E605 A606G505-G548 WeakPolarHBondContact CA-O 3.44Å; G548-L550 PolarHBondContact O-N 2.77Å; G548-L551 PolarHBondContact O-N 3.36Å; G548-Y604 WeakPolarHBondContact CA-O 3.28Å; G548-E605 PolarHBondContact N-O 3.28Å; G548-A606 WeakPolarHBondContact CA-O 3.27Å; G548-A606 PolarHBondContact N-O 3.07Å
549S90.9Very high74.8Confident32 Ų3260.4 Ų60.422%0.22431%0.313CS..G310 helixtrans-60.7-25174.635.40000115.2V506 S547 E605V506-S549 WeakPolarHBondContact O-CA 3.44Å; S547-S549 VanDerWaalsContact C-N 3.28Å; S547-S549 PolarHBondContact O-N 2.92Å; S547-S549 PolarHBondContact OG-OG 2.8Å; S549-E605 VanDerWaalsContact CB-OE1 3.31Å; S549-E605 WeakPolarHBondContact CB-OE1 3.32Å; S549-E605 WeakPolarHBondContact CB-OE2 3.17Å; S549-E605 PolarHBondContact N-OE2 3.43Å; S549-E605 VanDerWaalsContact N-OE2 3.15Å; S549-E605 PolarHBondContact OG-OE2 3.35Å
550L92.8Very high76Confident95 Ų9562.1 Ų62.150%0.49732%0.318SS..G310 helixtrans-97.6-0.9-174.7-60.2-180000113.2I546 S547 G548 L647 A648I546-L550 HydrophobicContact CG2-CB 3.94Å; S547-L550 PolarHBondContact O-N 3.42Å; G548-L550 PolarHBondContact O-N 2.77Å; L550-L647 HydrophobicContact CB-CD2 3.97Å; L550-L647 CarbonylContact O-C 3.56Å; L550-L647 WeakPolarHBondContact O-CA 3.29Å; L550-A648 PolarHBondContact O-N 3.19Å
551L94.8Very high77Confident3 Ų353.7 Ų53.72%0.01628%0.283CS..BIsolated β-bridgetrans-69141-179.4-63.6177.5000112.3R503 G505 I546 S547 G548 A608 H630R503-L551 HydrophobicContact CG-CD1 4.32Å; R503-L551 VanDerWaalsContact NH1-CD1 3.28Å; G505-L551 WeakPolarHBondContact CA-O 3.29Å; G505-L551 PolarHBondContact N-O 2.85Å; I546-L551 HydrophobicContact CB-CD2 3.83Å; I546-L551 HydrophobicContact CG2-CD2 3.59Å; I546-L551 HydrophobicContact CG2-CG 4.4Å; S547-L551 PolarHBondContact O-N 3.05Å; G548-L551 PolarHBondContact O-N 3.36Å; L551-A608 HydrophobicContact CD1-CB 4.27Å; L551-A608 HydrophobicContact CD2-CB 3.82Å; L551-H630 HydrophobicContact CD1-CB 4.24Å; L551-H630 HydrophobicContact CD2-CB 3.91Å
552G93.6Very high78.3Confident0 Ų046.4 Ų46.40%025%0.251CS..  trans-67.2157.7174.300000113.6C556 H630 T646G552-C556 VanDerWaalsContact CA-SG 3.57Å; G552-H630 PolarHBondContact O-NE2 3.35Å; G552-T646 PolarHBondContact N-O 3.4Å
553C95.2Very high79.2Confident2 Ų242.3 Ų42.31%0.01424%0.236CC..  trans-92177.4167.276.50000110.9T479 M502 H504 F555 C556 C655T479-C553 HydrophobicContact CG2-CB 3.92Å; M502-C553 VanDerWaalsContact CE-C 3.48Å; H504-C553 HydrophobicContact CB-CB 4.32Å; C553-F555 PolarHBondContact O-N 3Å; C553-F555 PolarHBondContact SG-N 2.72Å; C553-C556 PolarHBondContact N-SG 2.89Å; C553-C556 WeakPolarHBondContact O-CB 3.45Å; C553-C556 PolarHBondContact O-N 3.05Å; C553-C655 HydrophobicContact CB-CB 4.33Å
554Y93.8Very high80Confident48 Ų4841.8 Ų41.819%0.18822%0.224CC..THydrogen-bonded Turntrans-50.9-31176.6-177.5-106.9000114.4R472 N491 A493 L500 M502 H504R472-Y554 HydrophobicContact CB-CE1 4.39Å; R472-Y554 HydrophobicContact CG-CE1 3.98Å; N491-Y554 WeakPolarHBondContact ND2-CD2 3.23Å; A493-Y554 HydrophobicContact CB-CE2 4.45Å; L500-Y554 HydrophobicContact CD2-CD2 3.76Å; L500-Y554 HydrophobicContact CD2-CE2 3.62Å; M502-Y554 HydrophobicContact SD-CD2 4.08Å; H504-Y554 PolarHBondContact NE2-N 3.42Å
555F93.4Very high80Confident0 Ų037.8 Ų37.80%022%0.215CC..THydrogen-bonded Turntrans-92.11.2-178.1-60.3-88.6000114.4R472 R475 W476 T479 C553 P562 C652 A654R472-F555 HydrophobicContact CG-CE1 3.74Å; R472-F555 HydrophobicContact CG-CZ 4.35Å; R472-F555 WeakPolarHBondContact O-CZ 3.32Å; R475-F555 HydrophobicContact CB-CE2 4.37Å; R475-F555 HydrophobicContact CB-CZ 4.19Å; W476-F555 HydrophobicContact CB-CE1 4.31Å; W476-F555 HydrophobicContact CB-CE2 4.27Å; W476-F555 HydrophobicContact CB-CZ 3.74Å; W476-F555 HydrophobicContact CG-CZ 4.5Å; T479-F555 HydrophobicContact CG2-CD2 4.15Å; T479-F555 HydrophobicContact CG2-CE2 4.34Å; C553-F555 PolarHBondContact O-N 3Å; C553-F555 PolarHBondContact SG-N 2.72Å; F555-P562 HydrophobicContact CE1-CB 4.12Å; F555-P562 HydrophobicContact CE1-CG 4.24Å; F555-C652 VanDerWaalsContact C-SG 3.55Å; F555-C652 PolarHBondContact O-SG 2.98Å; F555-A654 HydrophobicContact CB-CB 4.02Å; F555-A654 HydrophobicContact CD2-CB 3.61Å; F555-A654 HydrophobicContact CE2-CB 4.36Å; F555-A654 HydrophobicContact CG-CB 3.99Å
556C92.3Very high78.9Confident8 Ų837.4 Ų37.45%0.05421%0.208CC..THydrogen-bonded Turntrans-75.6-26.9-177.2-800000114.2G552 C553 D558 F649 C655G552-C556 VanDerWaalsContact CA-SG 3.57Å; C553-C556 PolarHBondContact N-SG 2.89Å; C553-C556 WeakPolarHBondContact O-CB 3.45Å; C553-C556 PolarHBondContact O-N 3.05Å; C556-D558 VanDerWaalsContact C-N 3.31Å; C556-F649 HydrophobicContact CB-CB 4.03Å; C556-F649 WeakPolarHBondContact O-CB 3.43Å; C556-F649 PolarHBondContact SG-N 3.21Å; C556-F649 VanDerWaalsContact SG-N 3.36Å; C556-C655 PolarHBondContact SG-SG 2.99Å
557N80.6Confident77.3Confident80 Ų8046.6 Ų46.643%0.42824%0.241SC..THydrogen-bonded Turntrans-9514.4-172.7-55.4-41.2000113Q631 T646N557-Q631 PolarHBondContact ND2-NE2 3.32Å; N557-Q631 VanDerWaalsContact ND2-NE2 3.19Å; N557-T646 WeakPolarHBondContact OD1-CB 3.47Å; N557-T646 WeakPolarHBondContact OD1-CG2 3.49Å; N557-T646 PolarHBondContact OD1-OG1 2.85Å
558D70.1Confident75.2Confident52 Ų5252 Ų5228%0.27827%0.267SS..  trans-131.3137-177.3-154.2-24.3000108.9R472 C556 I560R472-D558 IonicContact CZ-OD2 3.09Å; R472-D558 IonicContact NH1-OD2 3.03Å; R472-D558 PolarHBondContact NH1-OD2 3.42Å; R472-D558 VanDerWaalsContact NH2-CG 3.31Å; R472-D558 IonicContact NH2-OD2 3.53Å; R472-D558 PolarHBondContact NH2-OD2 3.38Å; C556-D558 VanDerWaalsContact C-N 3.31Å; D558-I560 VanDerWaalsContact C-N 3.31Å; D558-I560 PolarHBondContact OD1-N 2.86Å
559V61.2Low73.1Confident72 Ų7258.6 Ų58.644%0.43629%0.292SS..SBendtrans-89.6-0.6-179.7-68.10000112.2L687 L690 H691V559-L687 WeakPolarHBondContact O-CD2 3.2Å; V559-L690 HydrophobicContact CG1-CD2 4.44Å; V559-H691 PolarHBondContact O-CE1 3.32Å; V559-H691 PolarHBondContact O-NE2 3.37Å
560I57.3Low70.2Confident78 Ų7860.8 Ų60.840%0.431%0.307SS..SBendtrans-110.1135.1179.9-51.5177.3000110.8D558 M563D558-I560 VanDerWaalsContact C-N 3.31Å; D558-I560 PolarHBondContact OD1-N 2.86Å; I560-M563 HydrophobicContact CG2-CE 3.51Å
561G54.6Low67.5Low6 Ų663.9 Ų63.96%0.06232%0.323CS..  trans-63.7154172.600000112.6M563 E682G561-M563 PolarHBondContact O-N 2.96Å; G561-E682 PolarHBondContact N-OE1 3.46Å
562P61.4Low64.9Low3 Ų367.2 Ų67.22%0.01934%0.341CS..  trans-60124.4169.225.7-33000110.4P422 E473 W476 F555 A678 L681P422-P562 HydrophobicContact CB-CB 4.25Å; P422-P562 HydrophobicContact CB-CG 4.03Å; P422-P562 WeakPolarHBondContact CB-O 3.18Å; P422-P562 HydrophobicContact CG-CB 4.2Å; P422-P562 HydrophobicContact CG-CG 3.83Å; E473-P562 HydrophobicContact CB-CB 4.5Å; W476-P562 HydrophobicContact CB-CG 4.16Å; W476-P562 HydrophobicContact CG-CG 3.89Å; F555-P562 HydrophobicContact CE1-CB 4.12Å; F555-P562 HydrophobicContact CE1-CG 4.24Å; P562-A678 WeakPolarHBondContact O-CB 3.48Å; P562-L681 HydrophobicContact CG-CD2 3.92Å
563M61.6Low62.6Low106 Ų10672.8 Ų72.852%0.52237%0.367SS..  trans-126.2167.7176.262.1177.166.500110.3I560 G561 S565I560-M563 HydrophobicContact CG2-CE 3.51Å; G561-M563 PolarHBondContact O-N 2.96Å; M563-S565 PolarHBondContact O-N 3.36Å
564N67.3Low60.5Low55 Ų5577 Ų7729%0.29439%0.387SS..  trans-65.391.8-179.2-175.8-19.4000111.6H424 T566 R567H424-N564 PolarHBondContact CE1-ND2 2.92Å; H424-N564 PolarHBondContact NE2-ND2 2.72Å; H424-N564 PolarHBondContact NE2-OD1 2.92Å; N564-T566 VanDerWaalsContact C-N 3.33Å; N564-T566 PolarHBondContact OD1-N 3.36Å; N564-T566 PolarHBondContact OD1-OG1 2.96Å; N564-R567 PolarHBondContact OD1-N 2.81Å; N564-R567 VanDerWaalsContact OD1-N 3.14Å
565S66.5Low58.5Low41 Ų4176.2 Ų76.229%0.28739%0.388SS..  trans-83.3-15.5178.2820000112.4E473 M563 R567E473-S565 VanDerWaalsContact CD-OG 3.31Å; E473-S565 WeakPolarHBondContact OE1-CB 3.18Å; E473-S565 PolarHBondContact OE1-N 3.49Å; E473-S565 PolarHBondContact OE1-OG 2.87Å; E473-S565 PolarHBondContact OE2-OG 3.41Å; M563-S565 PolarHBondContact O-N 3.36Å; S565-R567 PolarHBondContact O-N 3.32Å
566T60.6Low56.7Low38 Ų3879.3 Ų79.323%0.23341%0.407CS..G310 helixtrans-71.8-26.3-177.469.40000113.5H424 T471 E473 N564 N568 R569H424-T566 PolarHBondContact CE1-OG1 3.48Å; T471-T566 HydrophobicContact CG2-CG2 4.34Å; E473-T566 WeakPolarHBondContact OE1-CG2 3.39Å; N564-T566 VanDerWaalsContact C-N 3.33Å; N564-T566 PolarHBondContact OD1-N 3.36Å; N564-T566 PolarHBondContact OD1-OG1 2.96Å; T566-N568 PolarHBondContact O-N 3.32Å; T566-R569 PolarHBondContact O-N 3.44Å
567R54.5Low55.7Low215 Ų21582.5 Ų82.581%0.81143%0.426SS*.G310 helixtrans-59.3-24.6-175.1-164.5174.3173.7-174.6-3.3114.2N564 S565N564-R567 PolarHBondContact OD1-N 2.81Å; N564-R567 VanDerWaalsContact OD1-N 3.14Å; S565-R567 PolarHBondContact O-N 3.32Å
568N46.1Very low56Low159 Ų15978.9 Ų78.985%0.8541%0.407SS*.G310 helixtrans-112.910178.1-68.1-21.6000113.8T566T566-N568 PolarHBondContact O-N 3.32Å
569R45.6Very low57Low137 Ų13780.7 Ų80.752%0.51741%0.41SS..SBendtrans-123.1126.9179.1-72.3-179.6176.2179.5-0.6109.4T566 L571T566-R569 PolarHBondContact O-N 3.44Å; R569-L571 PolarHBondContact O-N 3.1Å; R569-L571 VanDerWaalsContact O-N 3.17Å
570S30.5Very low58.4Low78 Ų7880.9 Ų80.955%0.54541%0.413SS..  trans-58.5123.8166.642.30000108.4D572S570-D572 PolarHBondContact O-N 3.33Å
571L35.9Very low60.1Low160 Ų16078.4 Ų78.484%0.83841%0.406SS*.THydrogen-bonded Turntrans-38.3124.8172.5-113.770.9000109R569R569-L571 PolarHBondContact O-N 3.1Å; R569-L571 VanDerWaalsContact O-N 3.17Å
572D40.5Very low61.9Low73 Ų7378.1 Ų78.139%0.3940%0.403SS..THydrogen-bonded Turntrans90.812.2168.2-136.313.8000119.9S570 T576S570-D572 PolarHBondContact O-N 3.33Å; D572-T576 WeakPolarHBondContact O-CB 3.19Å; D572-T576 PolarHBondContact O-OG1 3.38Å
573Q45.1Very low63.5Low117 Ų11778.1 Ų78.155%0.54740%0.404SS..Hα-helixtrans-79.5-27.7-178.1-71.4-136.8-1100116.6T576 V577Q573-T576 PolarHBondContact O-N 2.97Å; Q573-V577 HydrophobicContact CB-CG2 4.47Å; Q573-V577 VanDerWaalsContact O-CB 3.3Å; Q573-V577 WeakPolarHBondContact O-CB 3.22Å; Q573-V577 WeakPolarHBondContact O-CG2 3.07Å; Q573-V577 PolarHBondContact O-N 2.94Å
574Q51.3Low65.1Low90 Ų9078.4 Ų78.442%0.42141%0.405SS..Hα-helixtrans-74.9-38.5-172.5-68.7-161.4-2700113.3T578Q574-T578 WeakPolarHBondContact O-CG2 3.49Å
575C51.5Low66.5Low33 Ų3378.2 Ų78.222%0.22341%0.406CS..Hα-helixtrans-77.7-22.6174.8-65.40000113.6
576T55.5Low67.9Low64 Ų6476.2 Ų76.239%0.39339%0.392SS..Hα-helixtrans-80.5-31.7178-54.10000111.8R379 D572 Q573R379-T576 PolarHBondContact NH2-O 3.23Å; D572-T576 WeakPolarHBondContact O-CB 3.19Å; D572-T576 PolarHBondContact O-OG1 3.38Å; Q573-T576 PolarHBondContact O-N 2.97Å
577V72Confident69.7Low75 Ų7574.4 Ų74.446%0.45538%0.381SS..THydrogen-bonded Turntrans-10442.4-177.9-163.40000110.6F496 Q573F496-V577 HydrophobicContact CD2-CG1 4.24Å; F496-V577 VanDerWaalsContact CD2-O 3.27Å; F496-V577 WeakPolarHBondContact CD2-O 3.28Å; Q573-V577 HydrophobicContact CB-CG2 4.47Å; Q573-V577 VanDerWaalsContact O-CB 3.3Å; Q573-V577 WeakPolarHBondContact O-CB 3.22Å; Q573-V577 WeakPolarHBondContact O-CG2 3.07Å; Q573-V577 PolarHBondContact O-N 2.94Å
578T86.4Confident71.7Confident5 Ų565.6 Ų65.63%0.03135%0.354CS..SBendtrans-108.4149.5164.171.90000111.2R379 L494 G495 F496 Q574R379-T578 PolarHBondContact NH1-O 2.85Å; L494-T578 HydrophobicContact CB-CG2 3.99Å; L494-T578 HydrophobicContact CD1-CG2 4.38Å; G495-T578 WeakPolarHBondContact O-CG2 3.03Å; F496-T578 WeakPolarHBondContact O-CA 3.17Å; Q574-T578 WeakPolarHBondContact O-CG2 3.49Å
579R91.1Very high74.2Confident89 Ų8959.7 Ų59.734%0.33632%0.322SS..  trans-59.2127.1164.6-73.4178.567-169.1-2.5108.2F496 G581 V582 L636F496-R579 HydrophobicContact CE1-CG 4.41Å; F496-R579 HydrophobicContact CZ-CG 4.22Å; F496-R579 PolarHBondContact O-N 2.88Å; R579-G581 PolarHBondContact O-N 2.65Å; R579-V582 HydrophobicContact CB-CG2 3.84Å; R579-V582 WeakPolarHBondContact O-CB 3.49Å; R579-V582 VanDerWaalsContact O-CG2 3.24Å; R579-V582 WeakPolarHBondContact O-CG2 3.35Å; R579-V582 PolarHBondContact O-N 3.26Å; R579-L636 PolarHBondContact NH1-O 3.13Å
580P91.3Very high76.7Confident77 Ų7753.1 Ų53.150%0.530%0.297SS..Hα-helixtrans-55.5-32.1-171.7-29.235000115.2V582 S583P580-V582 VanDerWaalsContact C-N 3.28Å; P580-V582 PolarHBondContact O-N 3.09Å; P580-S583 PolarHBondContact O-OG 3.03Å
581G92.9Very high79.9Confident25 Ų2549.4 Ų49.426%0.25827%0.271SS..Hα-helixtrans-66.6-24.3178.900000114.9R579 S583 M584 V585R579-G581 PolarHBondContact O-N 2.65Å; G581-S583 PolarHBondContact O-N 2.97Å; G581-M584 PolarHBondContact O-N 3.06Å; G581-V585 WeakPolarHBondContact O-CG2 3.47Å; G581-V585 PolarHBondContact O-N 3.27Å; G581-V585 VanDerWaalsContact O-N 3.14Å
582V93.2Very high82.9Confident0 Ų045 Ų450%025%0.246CC..Hα-helixtrans-62-44.9-175.1-175.20000110.4L494 T498 F499 R579 P580 M584 V585 A586 L636L494-V582 HydrophobicContact CD2-CG1 3.78Å; T498-V582 VanDerWaalsContact O-CG1 3.27Å; T498-V582 WeakPolarHBondContact O-CG1 3.38Å; F499-V582 HydrophobicContact CB-CG1 3.78Å; F499-V582 HydrophobicContact CD1-CG1 4.06Å; F499-V582 HydrophobicContact CG-CG1 4.4Å; R579-V582 HydrophobicContact CB-CG2 3.84Å; R579-V582 WeakPolarHBondContact O-CB 3.49Å; R579-V582 VanDerWaalsContact O-CG2 3.24Å; R579-V582 WeakPolarHBondContact O-CG2 3.35Å; R579-V582 PolarHBondContact O-N 3.26Å; P580-V582 VanDerWaalsContact C-N 3.28Å; P580-V582 PolarHBondContact O-N 3.09Å; V582-M584 VanDerWaalsContact C-N 3.32Å; V582-M584 PolarHBondContact O-N 3.4Å; V582-V585 PolarHBondContact O-N 3.19Å; V582-A586 VanDerWaalsContact O-CB 3.32Å; V582-A586 WeakPolarHBondContact O-CB 3.5Å; V582-A586 PolarHBondContact O-N 3.25Å; V582-L636 HydrophobicContact CB-CD1 4.21Å; V582-L636 HydrophobicContact CG2-CD1 3.32Å; V582-L636 HydrophobicContact CG2-CG 4.08Å
583S93.6Very high85.5Confident4 Ų441.7 Ų41.73%0.02823%0.229CC..Hα-helixtrans-68.4-32.2-177.765.90000112.6T347 N351 P580 G581 A587T347-S583 WeakPolarHBondContact OG1-CB 3.26Å; T347-S583 PolarHBondContact OG1-OG 3.26Å; N351-S583 PolarHBondContact ND2-OG 2.75Å; P580-S583 PolarHBondContact O-OG 3.03Å; G581-S583 PolarHBondContact O-N 2.97Å; S583-A587 WeakPolarHBondContact O-CB 3.26Å; S583-A587 PolarHBondContact O-N 2.87Å
584M95.6Very high88Confident112 Ų11236.1 Ų36.155%0.55220%0.203SC*.Hα-helixtrans-67.5-46.8175.8-67.5-172.7-77.500111.3G581 V582 A587 A588G581-M584 PolarHBondContact O-N 3.06Å; V582-M584 VanDerWaalsContact C-N 3.32Å; V582-M584 PolarHBondContact O-N 3.4Å; M584-A587 PolarHBondContact O-N 3.43Å; M584-A588 WeakPolarHBondContact O-CB 3.4Å; M584-A588 PolarHBondContact O-N 2.7Å
585V96.7Very high90.1Very high50 Ų5031.9 Ų31.930%0.30318%0.183SC..Hα-helixtrans-64.6-47.3178.4178.20000110.9F499 G581 V582 A587 A588 L589F499-V585 HydrophobicContact CD1-CG1 4.47Å; F499-V585 HydrophobicContact CE1-CB 4.2Å; F499-V585 HydrophobicContact CE1-CG1 3.56Å; F499-V585 HydrophobicContact CE2-CG1 4.46Å; F499-V585 HydrophobicContact CZ-CG1 3.55Å; G581-V585 WeakPolarHBondContact O-CG2 3.47Å; G581-V585 PolarHBondContact O-N 3.27Å; G581-V585 VanDerWaalsContact O-N 3.14Å; V582-V585 PolarHBondContact O-N 3.19Å; V585-A587 PolarHBondContact O-N 3.48Å; V585-A588 PolarHBondContact O-N 3.21Å; V585-L589 HydrophobicContact CG1-CD1 3.8Å; V585-L589 HydrophobicContact CG1-CG 4.45Å; V585-L589 WeakPolarHBondContact O-CG 3.31Å; V585-L589 PolarHBondContact O-N 2.82Å
586A96.1Very high92.2Very high0 Ų031 Ų310%018%0.177CC..Hα-helixtrans-61.9-42.317900000112.1L348 L494 F499 V501 V582 L589 A590L348-A586 HydrophobicContact CD2-CB 4.03Å; L494-A586 HydrophobicContact CD2-CB 3.72Å; F499-A586 HydrophobicContact CB-CB 3.85Å; F499-A586 HydrophobicContact CD2-CB 4.14Å; F499-A586 HydrophobicContact CG-CB 4Å; V501-A586 HydrophobicContact CG2-CB 4.18Å; V501-A586 VanDerWaalsContact CG2-O 3.31Å; V501-A586 WeakPolarHBondContact CG2-O 3.47Å; V582-A586 VanDerWaalsContact O-CB 3.32Å; V582-A586 WeakPolarHBondContact O-CB 3.5Å; V582-A586 PolarHBondContact O-N 3.25Å; A586-L589 PolarHBondContact O-N 3.29Å; A586-A590 WeakPolarHBondContact O-CB 3.39Å; A586-A590 PolarHBondContact O-N 2.85Å
587A97.7Very high94.1Very high0 Ų028 Ų280%016%0.158CC..Hα-helixtrans-65.6-42.7177.800000112.5L348 N351 V352 S583 M584 V585 A590 V591L348-A587 HydrophobicContact CD2-CB 4.4Å; N351-A587 HydrophobicContact CB-CB 3.38Å; V352-A587 HydrophobicContact CG2-CB 3.67Å; S583-A587 WeakPolarHBondContact O-CB 3.26Å; S583-A587 PolarHBondContact O-N 2.87Å; M584-A587 PolarHBondContact O-N 3.43Å; V585-A587 PolarHBondContact O-N 3.48Å; A587-A590 PolarHBondContact O-N 3.47Å; A587-V591 PolarHBondContact O-N 3.46Å; A587-V591 VanDerWaalsContact O-N 3.14Å
588A97.8Very high95.1Very high29 Ų2924.5 Ų24.524%0.2414%0.137CC..Hα-helixtrans-59.2-51.2175.400000110.7M584 V585 A590 V591 E592M584-A588 WeakPolarHBondContact O-CB 3.4Å; M584-A588 PolarHBondContact O-N 2.7Å; V585-A588 PolarHBondContact O-N 3.21Å; A588-A590 VanDerWaalsContact C-N 3.3Å; A588-A590 PolarHBondContact O-N 3.33Å; A588-V591 PolarHBondContact O-N 3.44Å; A588-E592 WeakPolarHBondContact O-CG 3.4Å; A588-E592 PolarHBondContact O-N 2.87Å
589L97.9Very high95.4Very high35 Ų3525.4 Ų25.418%0.18314%0.141CC..Hα-helixtrans-63.6-33.5179.6-68.2170.3000113F499 V501 V585 A586 L593 I632F499-L589 HydrophobicContact CE2-CD1 3.39Å; F499-L589 HydrophobicContact CZ-CD1 3.5Å; F499-L589 VanDerWaalsContact CZ-CD1 3.5Å; V501-L589 HydrophobicContact CG2-CB 4.22Å; V585-L589 HydrophobicContact CG1-CD1 3.8Å; V585-L589 HydrophobicContact CG1-CG 4.45Å; V585-L589 WeakPolarHBondContact O-CG 3.31Å; V585-L589 PolarHBondContact O-N 2.82Å; A586-L589 PolarHBondContact O-N 3.29Å; L589-L593 WeakPolarHBondContact O-CB 3.31Å; L589-L593 PolarHBondContact O-N 3.48Å; L589-I632 HydrophobicContact CB-CD1 4.2Å; L589-I632 HydrophobicContact CD1-CG2 4.01Å; L589-I632 HydrophobicContact CD2-CD1 4.41Å
590A98.2Very high95.4Very high0 Ų022.2 Ų22.20%013%0.13CC..Hα-helixtrans-64.7-42.5175.200000112.1F466 I490 A492 V501 A586 A587 A588 M594F466-A590 HydrophobicContact CD1-CB 4.45Å; F466-A590 HydrophobicContact CE1-CB 4.15Å; I490-A590 HydrophobicContact CG2-CB 4Å; A492-A590 HydrophobicContact CB-CB 4.36Å; V501-A590 HydrophobicContact CG1-CB 3.92Å; V501-A590 HydrophobicContact CG2-CB 4.4Å; A586-A590 WeakPolarHBondContact O-CB 3.39Å; A586-A590 PolarHBondContact O-N 2.85Å; A587-A590 PolarHBondContact O-N 3.47Å; A588-A590 VanDerWaalsContact C-N 3.3Å; A588-A590 PolarHBondContact O-N 3.33Å; A590-M594 PolarHBondContact O-N 3.3Å
591V98.4Very high95.3Very high0 Ų023 Ų230%014%0.135CC..Hα-helixtrans-72.3-42.7177.1175.10000111.4V352 Q355 L356 A587 A588 L593 M594 V595V352-V591 HydrophobicContact CB-CG2 4.34Å; V352-V591 HydrophobicContact CG1-CG2 3.67Å; Q355-V591 HydrophobicContact CB-CB 4.03Å; Q355-V591 HydrophobicContact CB-CG1 4.12Å; Q355-V591 HydrophobicContact CB-CG2 3.75Å; L356-V591 HydrophobicContact CD2-CG1 4.05Å; L356-V591 HydrophobicContact CD2-CG2 4.01Å; L356-V591 HydrophobicContact CG-CG2 4.04Å; A587-V591 PolarHBondContact O-N 3.46Å; A587-V591 VanDerWaalsContact O-N 3.14Å; A588-V591 PolarHBondContact O-N 3.44Å; V591-L593 VanDerWaalsContact C-N 3.28Å; V591-L593 PolarHBondContact O-N 2.63Å; V591-M594 VanDerWaalsContact O-CB 3.27Å; V591-M594 WeakPolarHBondContact O-CB 3.38Å; V591-M594 PolarHBondContact O-N 2.74Å; V591-M594 VanDerWaalsContact O-N 3.11Å; V591-V595 HydrophobicContact CG1-CG2 4.38Å; V591-V595 WeakPolarHBondContact O-CG2 3.39Å; V591-V595 PolarHBondContact O-N 2.76Å
592E97.4Very high95.1Very high66 Ų6626.7 Ų26.731%0.30815%0.149SC..Hα-helixtrans-62.6-36.7176-67-52.513900111.6W359 A588 M594 V595 S596W359-E592 PolarHBondContact NE1-OE1 2.98Å; A588-E592 WeakPolarHBondContact O-CG 3.4Å; A588-E592 PolarHBondContact O-N 2.87Å; E592-M594 PolarHBondContact O-N 3.21Å; E592-V595 PolarHBondContact O-N 2.62Å; E592-S596 PolarHBondContact O-N 3.3Å; E592-S596 PolarHBondContact O-OG 2.91Å
593L96.8Very high95Very high5 Ų528.6 Ų28.63%0.02616%0.159CC..Hα-helixtrans-62.4-42.3172.9-178.557.9000111.8V501 R503 L589 V591 V595 V597 V628 P629V501-L593 HydrophobicContact CG1-CD2 4.07Å; R503-L593 HydrophobicContact CB-CD2 4.03Å; R503-L593 HydrophobicContact CG-CD2 4.3Å; L589-L593 WeakPolarHBondContact O-CB 3.31Å; L589-L593 PolarHBondContact O-N 3.48Å; V591-L593 VanDerWaalsContact C-N 3.28Å; V591-L593 PolarHBondContact O-N 2.63Å; L593-V595 VanDerWaalsContact C-N 3.33Å; L593-V597 HydrophobicContact CD1-CG2 4.32Å; L593-V597 WeakPolarHBondContact O-CB 3.37Å; L593-V597 WeakPolarHBondContact O-CG2 3.43Å; L593-V597 PolarHBondContact O-N 3.2Å; L593-V628 HydrophobicContact CD1-CG1 4.23Å; L593-P629 HydrophobicContact CD1-CG 4.02Å; L593-P629 WeakPolarHBondContact CD1-O 3.38Å
594M97.2Very high94.9Very high0 Ų029.5 Ų29.50%016%0.161CC..Hα-helixtrans-58.1-48.5172.6-172.1-166.888.700111.1L356 V361 V464 F466 I490 A590 V591 E592 V597 L598L356-M594 HydrophobicContact CD2-CE 3.73Å; L356-M594 HydrophobicContact CD2-SD 3.78Å; V361-M594 HydrophobicContact CG2-CE 4.2Å; V464-M594 HydrophobicContact CB-SD 4.23Å; V464-M594 HydrophobicContact CG1-CG 3.99Å; V464-M594 HydrophobicContact CG1-SD 4.02Å; V464-M594 HydrophobicContact CG2-CG 4.09Å; V464-M594 HydrophobicContact CG2-SD 4.13Å; F466-M594 HydrophobicContact CE2-SD 3.74Å; F466-M594 HydrophobicContact CZ-CB 3.99Å; F466-M594 HydrophobicContact CZ-CG 4.21Å; F466-M594 HydrophobicContact CZ-SD 3.67Å; I490-M594 HydrophobicContact CD1-CB 3.45Å; I490-M594 VanDerWaalsContact CD1-CB 3.45Å; I490-M594 HydrophobicContact CD1-CG 4.02Å; A590-M594 PolarHBondContact O-N 3.3Å; V591-M594 VanDerWaalsContact O-CB 3.27Å; V591-M594 WeakPolarHBondContact O-CB 3.38Å; V591-M594 PolarHBondContact O-N 2.74Å; V591-M594 VanDerWaalsContact O-N 3.11Å; E592-M594 PolarHBondContact O-N 3.21Å; M594-V597 PolarHBondContact O-N 3.24Å; M594-L598 HydrophobicContact CE-CD1 3.84Å; M594-L598 HydrophobicContact CG-CD1 3.83Å; M594-L598 HydrophobicContact CG-CG 4.31Å; M594-L598 WeakPolarHBondContact O-CB 3.4Å; M594-L598 WeakPolarHBondContact O-CG 3.13Å; M594-L598 PolarHBondContact O-N 2.93Å; M594-L598 HydrophobicContact SD-CD1 4.26Å
595V96Very high94.6Very high0 Ų027.5 Ų27.50%015%0.151CC..Hα-helixtrans-59.7-48.7-178.1163.20000110.6F335 W359 V591 E592 L593 V597 L598 Q599 L625F335-V595 HydrophobicContact CD1-CG2 4.4Å; F335-V595 HydrophobicContact CE1-CB 4.14Å; F335-V595 HydrophobicContact CE1-CG1 3.97Å; F335-V595 HydrophobicContact CE1-CG2 3.9Å; F335-V595 HydrophobicContact CZ-CB 4.32Å; F335-V595 HydrophobicContact CZ-CG1 3.66Å; F335-V595 HydrophobicContact CZ-CG2 4.19Å; W359-V595 HydrophobicContact CD2-CG2 3.88Å; W359-V595 HydrophobicContact CG-CG2 3.89Å; W359-V595 HydrophobicContact CH2-CG1 4.1Å; W359-V595 HydrophobicContact CZ2-CG1 3.94Å; W359-V595 HydrophobicContact CZ3-CG1 4.44Å; V591-V595 HydrophobicContact CG1-CG2 4.38Å; V591-V595 WeakPolarHBondContact O-CG2 3.39Å; V591-V595 PolarHBondContact O-N 2.76Å; E592-V595 PolarHBondContact O-N 2.62Å; L593-V595 VanDerWaalsContact C-N 3.33Å; V595-V597 PolarHBondContact O-N 2.95Å; V595-L598 PolarHBondContact O-N 3.2Å; V595-Q599 WeakPolarHBondContact O-CB 3.25Å; V595-Q599 VanDerWaalsContact O-CG 3.27Å; V595-Q599 WeakPolarHBondContact O-CG 3.43Å; V595-Q599 PolarHBondContact O-N 3.14Å; V595-L625 HydrophobicContact CG1-CD1 3.68Å
596S94.5Very high94.3Very high15 Ų1525.1 Ų25.111%0.10514%0.136CC..Hα-helixtrans-62.6-41.4177.3-630000112.5E592 H600E592-S596 PolarHBondContact O-N 3.3Å; E592-S596 PolarHBondContact O-OG 2.91Å; S596-H600 WeakPolarHBondContact O-CB 3.41Å; S596-H600 PolarHBondContact O-N 2.86Å
597V94.5Very high94.1Very high0 Ų027.7 Ų27.70%015%0.153CC..Hα-helixtrans-61.2-48.7175.2171.30000110.9L488 L593 M594 V595 Q599 H600 L603 Y604 V628L488-V597 HydrophobicContact CD1-CG1 4.44Å; L488-V597 HydrophobicContact CD2-CB 4.3Å; L488-V597 HydrophobicContact CD2-CG1 3.72Å; L593-V597 HydrophobicContact CD1-CG2 4.32Å; L593-V597 WeakPolarHBondContact O-CB 3.37Å; L593-V597 WeakPolarHBondContact O-CG2 3.43Å; L593-V597 PolarHBondContact O-N 3.2Å; M594-V597 PolarHBondContact O-N 3.24Å; V595-V597 PolarHBondContact O-N 2.95Å; V597-Q599 VanDerWaalsContact C-N 3.31Å; V597-Q599 PolarHBondContact O-N 2.88Å; V597-H600 PolarHBondContact O-N 2.95Å; V597-L603 WeakPolarHBondContact O-CA 3.33Å; V597-Y604 HydrophobicContact CG1-CD1 3.75Å; V597-Y604 HydrophobicContact CG1-CE1 4.4Å; V597-V628 HydrophobicContact CB-CG1 4.45Å; V597-V628 HydrophobicContact CG2-CG1 3.45Å; V597-V628 VanDerWaalsContact CG2-CG1 3.45Å
598L94.6Very high93.7Very high3 Ų327.7 Ų27.72%0.01615%0.153CC..Hα-helixtrans-72.6-21.8-175.8-69.2179000114.1V334 F335 T338 V464 M594 V595 L603 Y604V334-L598 HydrophobicContact CG1-CB 3.92Å; V334-L598 HydrophobicContact CG1-CD1 4.37Å; F335-L598 HydrophobicContact CE1-CB 4.47Å; T338-L598 HydrophobicContact CG2-CD1 4.01Å; V464-L598 HydrophobicContact CG2-CD1 4.44Å; M594-L598 HydrophobicContact CE-CD1 3.84Å; M594-L598 HydrophobicContact CG-CD1 3.83Å; M594-L598 HydrophobicContact CG-CG 4.31Å; M594-L598 WeakPolarHBondContact O-CB 3.4Å; M594-L598 WeakPolarHBondContact O-CG 3.13Å; M594-L598 PolarHBondContact O-N 2.93Å; M594-L598 HydrophobicContact SD-CD1 4.26Å; V595-L598 PolarHBondContact O-N 3.2Å; L598-L603 WeakPolarHBondContact O-CD2 3.2Å; L598-Y604 HydrophobicContact CD2-CE1 3.78Å
599Q92Very high92.9Very high23 Ų2328.8 Ų28.811%0.10716%0.155CC..Hα-helixtrans-87.5-25.8174.9-68.6-61.8-36.300112.6L330 K331 F335 V595 V597 L625L330-Q599 HydrophobicContact CD1-CG 4.12Å; K331-Q599 PolarHBondContact O-NE2 3.03Å; F335-Q599 HydrophobicContact CE1-CG 3.96Å; F335-Q599 VanDerWaalsContact CE1-NE2 3.29Å; F335-Q599 HydrophobicContact CZ-CG 3.58Å; V595-Q599 WeakPolarHBondContact O-CB 3.25Å; V595-Q599 VanDerWaalsContact O-CG 3.27Å; V595-Q599 WeakPolarHBondContact O-CG 3.43Å; V595-Q599 PolarHBondContact O-N 3.14Å; V597-Q599 VanDerWaalsContact C-N 3.31Å; V597-Q599 PolarHBondContact O-N 2.88Å; Q599-L625 HydrophobicContact CB-CD1 3.64Å; Q599-L625 HydrophobicContact CG-CD1 3.53Å
600H91.2Very high91.4Very high22 Ų2229.7 Ų29.710%0.10216%0.162CC..SBendtrans-59.1137.2178.7-167.6-87.4000111.2S596 V597 L602 L603 A606 V628S596-H600 WeakPolarHBondContact O-CB 3.41Å; S596-H600 PolarHBondContact O-N 2.86Å; V597-H600 PolarHBondContact O-N 2.95Å; H600-L602 WeakPolarHBondContact ND1-CB 3.48Å; H600-L602 PolarHBondContact ND1-N 3.44Å; H600-L602 PolarHBondContact O-N 3.03Å; H600-L602 VanDerWaalsContact O-N 3.15Å; H600-L603 PolarHBondContact O-N 3.5Å; H600-A606 HydrophobicContact CB-CB 4.02Å; H600-A606 WeakPolarHBondContact ND1-CB 3.44Å; H600-V628 HydrophobicContact CB-CG2 4.4Å
601P89.1Confident89.5Confident95 Ų9534.9 Ų34.962%0.61719%0.189SC*.THydrogen-bonded Turntrans-55.8-34.3-179.6-27.635.1000114.4L623P601-L623 HydrophobicContact CG-CD2 4.48Å
602L89.7Confident87.3Confident102 Ų10238.4 Ų38.453%0.53421%0.214SC..THydrogen-bonded Turntrans-87.4-0.3177.5-54.9179.6000114.3H600 Y604 E605H600-L602 WeakPolarHBondContact ND1-CB 3.48Å; H600-L602 PolarHBondContact ND1-N 3.44Å; H600-L602 PolarHBondContact O-N 3.03Å; H600-L602 VanDerWaalsContact O-N 3.15Å; L602-Y604 PolarHBondContact O-N 2.89Å; L602-E605 HydrophobicContact CB-CB 4.17Å; L602-E605 WeakPolarHBondContact O-CB 3.37Å; L602-E605 PolarHBondContact O-N 2.84Å
603L91Very high85Confident40 Ų4043.2 Ų43.221%0.20924%0.236CC..G310 helixtrans49.8-121.3-179.9-59.5171.3000112.2F510 V597 L598 H600 E605 A606F510-L603 HydrophobicContact CE1-CD1 4.01Å; F510-L603 HydrophobicContact CE2-CD1 3.73Å; F510-L603 HydrophobicContact CZ-CD1 3.19Å; V597-L603 WeakPolarHBondContact O-CA 3.33Å; L598-L603 WeakPolarHBondContact O-CD2 3.2Å; H600-L603 PolarHBondContact O-N 3.5Å; L603-E605 PolarHBondContact O-N 2.96Å; L603-A606 WeakPolarHBondContact O-CB 3Å; L603-A606 PolarHBondContact O-N 3.07Å
604Y89.6Confident82.6Confident22 Ų2248.2 Ų48.29%0.08626%0.263CS..G310 helixtrans-65.5-23.6-177.7-45.1-35.8000113.4L488 V506 F510 G548 V597 L598 L602 A606L488-Y604 HydrophobicContact CB-CD1 3.92Å; L488-Y604 HydrophobicContact CB-CE1 3.86Å; L488-Y604 HydrophobicContact CB-CG 4.48Å; L488-Y604 HydrophobicContact CD1-CD1 4.28Å; L488-Y604 HydrophobicContact CD2-CD1 3.9Å; L488-Y604 HydrophobicContact CD2-CE1 3.89Å; L488-Y604 HydrophobicContact CG-CD1 4.25Å; L488-Y604 HydrophobicContact CG-CE1 4.42Å; V506-Y604 HydrophobicContact CG1-CD2 4.34Å; V506-Y604 HydrophobicContact CG2-CD2 4.36Å; V506-Y604 HydrophobicContact CG2-CG 4.15Å; F510-Y604 HydrophobicContact CD2-CD2 4.07Å; F510-Y604 AromaticContact CD2-CE2 3.99Å; F510-Y604 HydrophobicContact CD2-CE2 3.99Å; F510-Y604 HydrophobicContact CE2-CD2 4.13Å; F510-Y604 AromaticContact CE2-CE2 3.76Å; F510-Y604 HydrophobicContact CE2-CE2 3.76Å; G548-Y604 WeakPolarHBondContact CA-O 3.28Å; V597-Y604 HydrophobicContact CG1-CD1 3.75Å; V597-Y604 HydrophobicContact CG1-CE1 4.4Å; L598-Y604 HydrophobicContact CD2-CE1 3.78Å; L602-Y604 PolarHBondContact O-N 2.89Å; Y604-A606 PolarHBondContact O-N 3.31Å
605E90Very high80.4Confident71 Ų7156.3 Ų56.333%0.33230%0.299SS..G310 helixtrans-80-0.3175.1-65.6-60.9145.500112.9S547 G548 S549 L602 L603S547-E605 PolarHBondContact OG-OE2 3.38Å; G548-E605 PolarHBondContact N-O 3.28Å; S549-E605 VanDerWaalsContact CB-OE1 3.31Å; S549-E605 WeakPolarHBondContact CB-OE1 3.32Å; S549-E605 WeakPolarHBondContact CB-OE2 3.17Å; S549-E605 PolarHBondContact N-OE2 3.43Å; S549-E605 VanDerWaalsContact N-OE2 3.15Å; S549-E605 PolarHBondContact OG-OE2 3.35Å; L602-E605 HydrophobicContact CB-CB 4.17Å; L602-E605 WeakPolarHBondContact O-CB 3.37Å; L602-E605 PolarHBondContact O-N 2.84Å; L603-E605 PolarHBondContact O-N 2.96Å
606A91Very high77.9Confident0 Ų061.5 Ų61.50%033%0.334CS..PPolyproline II helixtrans-50.1126175.300000110.4R503 G548 H600 L603 Y604 V628R503-A606 VanDerWaalsContact CZ-O 3.3Å; R503-A606 PolarHBondContact NH1-O 3.39Å; R503-A606 PolarHBondContact NH2-O 2.94Å; G548-A606 WeakPolarHBondContact CA-O 3.27Å; G548-A606 PolarHBondContact N-O 3.07Å; H600-A606 HydrophobicContact CB-CB 4.02Å; H600-A606 WeakPolarHBondContact ND1-CB 3.44Å; L603-A606 WeakPolarHBondContact O-CB 3Å; L603-A606 PolarHBondContact O-N 3.07Å; Y604-A606 PolarHBondContact O-N 3.31Å; A606-V628 HydrophobicContact CB-CB 4.23Å; A606-V628 HydrophobicContact CB-CG1 4.11Å; A606-V628 HydrophobicContact CB-CG2 4.27Å
607P91.2Very high75.4Confident53 Ų5364.2 Ų64.234%0.34435%0.354SS..PPolyproline II helixtrans-72.3147.6-177.730.3-35.4000110.8A545 I546A545-P607 HydrophobicContact CB-CB 3.96Å; I546-P607 CarbonylContact O-C 3.51Å; I546-P607 VanDerWaalsContact O-CA 3.24Å; I546-P607 WeakPolarHBondContact O-CA 3.27Å
608A90.7Very high72.9Confident0 Ų068.2 Ų68.20%038%0.375CS..EExtended strand (participates in β ladder)trans-97.1120.717000000109.5A545 I546 L551 H630 A645A545-A608 CarbonylContact C-O 3.6Å; A545-A608 VanDerWaalsContact CA-O 3.28Å; A545-A608 WeakPolarHBondContact CA-O 3.17Å; I546-A608 PolarHBondContact N-O 3.11Å; I546-A608 PolarHBondContact O-N 2.9Å; L551-A608 HydrophobicContact CD1-CB 4.27Å; L551-A608 HydrophobicContact CD2-CB 3.82Å; A608-H630 HydrophobicContact CB-CB 3.62Å; A608-A645 HydrophobicContact CB-CB 4.02Å
609D79.3Confident70.7Confident53 Ų5373.3 Ų73.328%0.28340%0.402SS..EExtended strand (participates in β ladder)trans-68.8138.3176.4-154.3-32.9000110.5L611D609-L611 PolarHBondContact OD1-N 3.32Å
610T67.1Low68.5Low53 Ų5374.5 Ų74.533%0.32541%0.413SS..SBendtrans-96.9-11.1-178.849.30000113.4A543 R544 I546 A645A543-T610 PolarHBondContact O-OG1 3.37Å; A543-T610 VanDerWaalsContact O-OG1 3.1Å; R544-T610 VanDerWaalsContact C-OG1 3.32Å; R544-T610 PolarHBondContact O-N 3.28Å; R544-T610 VanDerWaalsContact O-N 3.14Å; R544-T610 PolarHBondContact O-OG1 3.25Å; I546-T610 HydrophobicContact CD1-CG2 4.11Å; I546-T610 HydrophobicContact CG1-CG2 4.06Å; T610-A645 HydrophobicContact CG2-CB 4.02Å
611L58.6Low66.4Low110 Ų11078.3 Ų78.358%0.57645%0.448SS*.  trans-116.4105.9-176.8-71169.9000111.7D609 Q613D609-L611 PolarHBondContact OD1-N 3.32Å; L611-Q613 VanDerWaalsContact C-N 3.26Å; L611-Q613 PolarHBondContact O-N 3.13Å
612S52.9Low64.8Low74 Ų7480.7 Ų80.752%0.51745%0.448SS..SBendtrans-80.314.1-177.449.60000115.3
613Q49.1Very low63.9Low167 Ų16778.3 Ų78.378%0.7844%0.436SS*.SBendtrans-123.9-23.2-168.7-68.5-172.7-5.300116.6L611L611-Q613 VanDerWaalsContact C-N 3.26Å; L611-Q613 PolarHBondContact O-N 3.13Å
614D46.1Very low63Low110 Ų11079.3 Ų79.359%0.58845%0.447SS*.  trans-107.375.9179.9-75.8-26.2000112.2S616D614-S616 PolarHBondContact O-N 2.97Å
615F49.3Very low62.7Low170 Ų17080.5 Ų80.575%0.74645%0.454SS*.THydrogen-bonded Turntrans-61.8-5.6173.4-79.4-85.1000114.3
616S44.3Very low62.5Low108 Ų10878.6 Ų78.676%0.75545%0.454SS*.THydrogen-bonded Turntrans-97.6-4.7-165.955.40000115.6D614D614-S616 PolarHBondContact O-N 2.97Å
617S41.8Very low62.4Low73 Ų7381.9 Ų81.951%0.5147%0.473SS..SBendtrans-138.114.9-16767.80000118.1
618L42.6Very low62.4Low84 Ų8479.8 Ų79.844%0.4446%0.459SS..SBendtrans-119.3154.8171.9-82.8103.9000111.9S620L618-S620 PolarHBondContact O-N 3.22Å; L618-S620 PolarHBondContact O-OG 2.78Å
619D48.7Very low62.6Low110 Ų11080.7 Ų80.759%0.58847%0.465SS*.G310 helixtrans-56.217.4176.5-116.4-10.7000114.4A621 K622D619-A621 PolarHBondContact O-N 2.95Å; D619-A621 VanDerWaalsContact O-N 3.14Å; D619-K622 WeakPolarHBondContact O-CB 3.26Å; D619-K622 PolarHBondContact O-N 3.22Å; D619-K622 VanDerWaalsContact OD1-CE 3.22Å; D619-K622 WeakPolarHBondContact OD1-CE 3.47Å; D619-K622 IonicContact OD1-NZ 2.76Å; D619-K622 PolarHBondContact OD1-NZ 3.12Å; D619-K622 IonicContact OD2-NZ 3.29Å; D619-K622 PolarHBondContact OD2-NZ 2.98Å
620S46.1Very low63.3Low48 Ų4878.2 Ų78.234%0.33645%0.452SS..G310 helixtrans-56.3-23.1172.762.30000112.6L618 K622 L623L618-S620 PolarHBondContact O-N 3.22Å; L618-S620 PolarHBondContact O-OG 2.78Å; S620-K622 PolarHBondContact O-N 2.94Å; S620-K622 VanDerWaalsContact O-N 3.08Å; S620-L623 PolarHBondContact O-N 3.24Å; S620-L623 VanDerWaalsContact O-N 3.14Å
621A46.4Very low64.6Low101 Ų10175.8 Ų75.884%0.83544%0.437SS*.G310 helixtrans-58.5-14.9168.900000113.9D619D619-A621 PolarHBondContact O-N 2.95Å; D619-A621 VanDerWaalsContact O-N 3.14Å
622K56.4Low66.4Low145 Ų14571 Ų7163%0.6341%0.412SS*.G310 helixtrans-97.1-9.7177.3-66.6177.3-175.8152.10114.6D619 S620D619-K622 WeakPolarHBondContact O-CB 3.26Å; D619-K622 PolarHBondContact O-N 3.22Å; D619-K622 VanDerWaalsContact OD1-CE 3.22Å; D619-K622 WeakPolarHBondContact OD1-CE 3.47Å; D619-K622 IonicContact OD1-NZ 2.76Å; D619-K622 PolarHBondContact OD1-NZ 3.12Å; D619-K622 IonicContact OD2-NZ 3.29Å; D619-K622 PolarHBondContact OD2-NZ 2.98Å; S620-K622 PolarHBondContact O-N 2.94Å; S620-K622 VanDerWaalsContact O-N 3.08Å
623L69.2Low68.3Low52 Ų5272 Ų7227%0.27240%0.404SS..  trans-107.8107.8-178.6-67.9170.7000110.3P601 S620 L625 G626P601-L623 HydrophobicContact CG-CD2 4.48Å; S620-L623 PolarHBondContact O-N 3.24Å; S620-L623 VanDerWaalsContact O-N 3.14Å; L623-L625 PolarHBondContact O-N 3.36Å; L623-G626 PolarHBondContact O-N 3.44Å
624S72.1Confident70.3Confident62 Ų6264 Ų6443%0.43437%0.368SS..THydrogen-bonded Turntrans-63.4-16.9-173.9-55.70000115.1D329D329-S624 VanDerWaalsContact OD1-CB 3.29Å; D329-S624 WeakPolarHBondContact OD1-CB 3.35Å; D329-S624 PolarHBondContact OD1-OG 2.86Å; D329-S624 VanDerWaalsContact OD2-CB 3.31Å; D329-S624 WeakPolarHBondContact OD2-CB 3.29Å; D329-S624 PolarHBondContact OD2-OG 3.22Å
625L85Confident72.5Confident47 Ų4762.4 Ų62.425%0.24636%0.355CS..THydrogen-bonded Turntrans-107.97.9177.8-70.6167.9000113.9M327 L330 V595 Q599 L623M327-L625 HydrophobicContact CE-CD2 4.08Å; M327-L625 HydrophobicContact SD-CD2 3.6Å; M327-L625 HydrophobicContact SD-CG 4.16Å; L330-L625 HydrophobicContact CD1-CD1 4.32Å; V595-L625 HydrophobicContact CG1-CD1 3.68Å; Q599-L625 HydrophobicContact CB-CD1 3.64Å; Q599-L625 HydrophobicContact CG-CD1 3.53Å; L623-L625 PolarHBondContact O-N 3.36Å
626G85.1Confident74.5Confident31 Ų3155.6 Ų55.632%0.3233%0.326SS..  trans78.5-151.7177.100000114.6L623L623-G626 PolarHBondContact O-N 3.44Å
627V88Confident76.7Confident68 Ų6853.1 Ų53.141%0.41231%0.309SS..  trans-76.5153.3-174.2-62.70000112.7P629V627-P629 VanDerWaalsContact O-CD 3.25Å; V627-P629 WeakPolarHBondContact O-CD 3.26Å
628V92.7Very high79.1Confident9 Ų956.3 Ų56.36%0.05532%0.316CS..  trans-111.983.9178-168.90000110.3R503 L593 V597 H600 A606R503-V628 PolarHBondContact NH2-O 2.69Å; R503-V628 VanDerWaalsContact NH2-O 3.08Å; L593-V628 HydrophobicContact CD1-CG1 4.23Å; V597-V628 HydrophobicContact CB-CG1 4.45Å; V597-V628 HydrophobicContact CG2-CG1 3.45Å; V597-V628 VanDerWaalsContact CG2-CG1 3.45Å; H600-V628 HydrophobicContact CB-CG2 4.4Å; A606-V628 HydrophobicContact CB-CB 4.23Å; A606-V628 HydrophobicContact CB-CG1 4.11Å; A606-V628 HydrophobicContact CB-CG2 4.27Å
629P93.8Very high81.5Confident19 Ų1961.2 Ų61.212%0.12333%0.33CS..  trans-65.9159.9-173.627.6-34.5000112.5R503 L593 V627 I632 L643R503-P629 PolarHBondContact NE-O 3.37Å; L593-P629 HydrophobicContact CD1-CG 4.02Å; L593-P629 WeakPolarHBondContact CD1-O 3.38Å; V627-P629 VanDerWaalsContact O-CD 3.25Å; V627-P629 WeakPolarHBondContact O-CD 3.26Å; P629-I632 HydrophobicContact CB-CG1 4.17Å; P629-I632 HydrophobicContact CG-CD1 3.82Å; P629-I632 HydrophobicContact CG-CG1 3.7Å; P629-L643 HydrophobicContact CB-CB 4.46Å; P629-L643 HydrophobicContact CB-CD1 4.44Å; P629-L643 HydrophobicContact CB-CD2 4.03Å; P629-L643 HydrophobicContact CG-CD2 4.41Å
630H95.1Very high83.7Confident1 Ų159.2 Ų59.21%0.00532%0.322CS..SBendtrans-80.5-58169.4172.9-147.2000110.7M502 R503 L551 G552 A608 A645 T646M502-H630 CarbonylContact C-O 3.57Å; M502-H630 WeakPolarHBondContact CA-O 3.33Å; M502-H630 WeakPolarHBondContact CB-O 3.43Å; M502-H630 WeakPolarHBondContact CE-NE2 3.47Å; R503-H630 PolarHBondContact N-O 3.03Å; R503-H630 PolarHBondContact O-CD2 3.12Å; R503-H630 PolarHBondContact O-NE2 3.32Å; L551-H630 HydrophobicContact CD1-CB 4.24Å; L551-H630 HydrophobicContact CD2-CB 3.91Å; G552-H630 PolarHBondContact O-NE2 3.35Å; A608-H630 HydrophobicContact CB-CB 3.62Å; H630-A645 HydrophobicContact CB-CB 3.78Å; H630-A645 WeakPolarHBondContact ND1-CA 3.28Å; H630-T646 PolarHBondContact CE1-O 2.56Å; H630-T646 PolarHBondContact CE1-OG1 2.89Å; H630-T646 PolarHBondContact ND1-N 3.05Å
631Q94.3Very high85.9Confident2 Ų262.2 Ų62.21%0.00933%0.33CS..EExtended strand (participates in β ladder)trans-122.7149.6177-53.2175.532.900109.6L500 V501 M502 N557 R633 L643 P644 T646L500-Q631 HydrophobicContact CD1-CB 4.07Å; L500-Q631 HydrophobicContact CD1-CG 4.45Å; V501-Q631 CarbonylContact O-C 3.24Å; V501-Q631 WeakPolarHBondContact O-CA 3.39Å; M502-Q631 HydrophobicContact CB-CB 4.15Å; M502-Q631 HydrophobicContact CB-CG 3.78Å; M502-Q631 HydrophobicContact CE-CG 4.14Å; M502-Q631 HydrophobicContact SD-CG 4.41Å; N557-Q631 PolarHBondContact ND2-NE2 3.32Å; N557-Q631 VanDerWaalsContact ND2-NE2 3.19Å; Q631-R633 VanDerWaalsContact OE1-NE 3.08Å; Q631-L643 VanDerWaalsContact O-CA 3.29Å; Q631-L643 WeakPolarHBondContact O-CA 3.45Å; Q631-P644 HydrophobicContact CB-CG 3.93Å; Q631-P644 WeakPolarHBondContact CB-O 3.44Å; Q631-P644 PolarHBondContact N-O 3.14Å; Q631-T646 PolarHBondContact NE2-OG1 3.04Å
632I94.7Very high88Confident10 Ų1061 Ų615%0.05131%0.312CS..EExtended strand (participates in β ladder)trans-127.6113.7170.4-49.7167.7000106.1F499 L500 V501 L589 P629 L643F499-I632 HydrophobicContact CE2-CG2 4.27Å; L500-I632 WeakPolarHBondContact CA-O 3.29Å; V501-I632 HydrophobicContact CB-CB 4.34Å; V501-I632 PolarHBondContact N-O 2.93Å; V501-I632 PolarHBondContact O-N 3.2Å; L589-I632 HydrophobicContact CB-CD1 4.2Å; L589-I632 HydrophobicContact CD1-CG2 4.01Å; L589-I632 HydrophobicContact CD2-CD1 4.41Å; P629-I632 HydrophobicContact CB-CG1 4.17Å; P629-I632 HydrophobicContact CG-CD1 3.82Å; P629-I632 HydrophobicContact CG-CG1 3.7Å; I632-L643 HydrophobicContact CB-CD2 4.11Å; I632-L643 HydrophobicContact CG1-CD2 3.76Å; I632-L643 HydrophobicContact CG2-CD2 3.92Å
633R93.4Very high89.7Confident94 Ų9456.8 Ų56.836%0.35530%0.296SS..EExtended strand (participates in β ladder)trans-111.1119.4177.1-68.6178-178.7-101.8-2.3108.8F499 L500 Q631 F635 Q641 V642 P644F499-R633 WeakPolarHBondContact O-CA 3.48Å; L500-R633 HydrophobicContact CD1-CG 3.62Å; Q631-R633 VanDerWaalsContact OE1-NE 3.08Å; R633-F635 HydrophobicContact CB-CE2 4.29Å; R633-Q641 CarbonylContact O-C 3.52Å; R633-Q641 VanDerWaalsContact O-CA 3.25Å; R633-Q641 WeakPolarHBondContact O-CA 3.49Å; R633-V642 PolarHBondContact N-O 2.75Å; R633-V642 PolarHBondContact O-N 2.66Å; R633-P644 HydrophobicContact CG-CG 4.46Å
634G91.9Very high90.7Very high1 Ų156.1 Ų56.11%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-116.6147.7-17900000113.1T498 F499 T640T498-G634 VanDerWaalsContact CA-O 3.22Å; T498-G634 WeakPolarHBondContact CA-O 3.44Å; F499-G634 PolarHBondContact N-O 3.15Å; F499-G634 PolarHBondContact O-N 3.28Å; G634-T640 WeakPolarHBondContact CA-O 3.47Å
635F92.3Very high91.6Very high76 Ų7654.2 Ų54.233%0.33328%0.284SS..EExtended strand (participates in β ladder)trans-128.9106-178.8-55.6-95.4000109T498 R633 S637 H638 Y639 T640 V642T498-F635 HydrophobicContact CG2-CD1 3.45Å; T498-F635 VanDerWaalsContact CG2-CD1 3.45Å; T498-F635 HydrophobicContact CG2-CE1 3.93Å; T498-F635 HydrophobicContact CG2-CG 4.28Å; R633-F635 HydrophobicContact CB-CE2 4.29Å; F635-S637 VanDerWaalsContact C-N 3.27Å; F635-S637 PolarHBondContact O-N 3.09Å; F635-H638 PolarHBondContact O-N 3.35Å; F635-Y639 WeakPolarHBondContact O-CA 3.39Å; F635-Y639 PolarHBondContact O-N 3.44Å; F635-T640 PolarHBondContact N-O 2.9Å; F635-T640 PolarHBondContact O-N 3.18Å; F635-V642 HydrophobicContact CE2-CG2 4.31Å
636L91.1Very high91.9Very high26 Ų2653.7 Ų53.714%0.13628%0.282CS..THydrogen-bonded Turntrans-74.1-15.5-178.2-68.9-168.7000113.9D497 R579 V582D497-L636 HydrophobicContact CB-CB 4.5Å; D497-L636 WeakPolarHBondContact O-CB 3.26Å; D497-L636 PolarHBondContact O-N 2.79Å; R579-L636 PolarHBondContact NH1-O 3.13Å; V582-L636 HydrophobicContact CB-CD1 4.21Å; V582-L636 HydrophobicContact CG2-CD1 3.32Å; V582-L636 HydrophobicContact CG2-CG 4.08Å
637S91.2Very high92.2Very high57 Ų5757.3 Ų57.340%0.39929%0.294SS..THydrogen-bonded Turntrans-69.7-35.4172.430.50000111.8D497 F635D497-S637 WeakPolarHBondContact OD2-CB 3.27Å; D497-S637 PolarHBondContact OD2-OG 3.02Å; F635-S637 VanDerWaalsContact C-N 3.27Å; F635-S637 PolarHBondContact O-N 3.09Å
638H91.8Very high92.5Very high139 Ų13955 Ų5564%0.64428%0.282SS*.THydrogen-bonded Turntrans-109-5.6-178.1-59.3-60.1000114F635 T640F635-H638 PolarHBondContact O-N 3.35Å; H638-T640 HydrophobicContact CB-CG2 4.12Å; H638-T640 PolarHBondContact O-N 3.34Å
639Y93.2Very high92.5Very high187 Ų18757.3 Ų57.373%0.73329%0.291SS*.THydrogen-bonded Turntrans54.737.1-173.6-59.7-88.8000113.1F635F635-Y639 WeakPolarHBondContact O-CA 3.39Å; F635-Y639 PolarHBondContact O-N 3.44Å
640T94Very high92.4Very high68 Ų6861.8 Ų61.842%0.41732%0.319SS..EExtended strand (participates in β ladder)trans-113.6153.1-178.4550000112.2G634 F635 H638G634-T640 WeakPolarHBondContact CA-O 3.47Å; F635-T640 PolarHBondContact N-O 2.9Å; F635-T640 PolarHBondContact O-N 3.18Å; H638-T640 HydrophobicContact CB-CG2 4.12Å; H638-T640 PolarHBondContact O-N 3.34Å
641Q91.5Very high92.2Very high111 Ų11164 Ų6452%0.51933%0.328SS..EExtended strand (participates in β ladder)trans-130.2142171.4-62.4-179.126.400110.2R633R633-Q641 CarbonylContact O-C 3.52Å; R633-Q641 VanDerWaalsContact O-CA 3.25Å; R633-Q641 WeakPolarHBondContact O-CA 3.49Å
642V90.8Very high92.2Very high75 Ų7564 Ų6446%0.45533%0.328SS..EExtended strand (participates in β ladder)trans-124.4140.3177-171.20000108.8R633 F635 P644R633-V642 PolarHBondContact N-O 2.75Å; R633-V642 PolarHBondContact O-N 2.66Å; F635-V642 HydrophobicContact CE2-CG2 4.31Å; V642-P644 WeakPolarHBondContact O-CD 3.37Å
643L92.9Very high92.1Very high57 Ų5763.6 Ų63.630%0.29833%0.326SS..  trans-11464.2-175.4-55.9-177.5000112.6P629 Q631 I632P629-L643 HydrophobicContact CB-CB 4.46Å; P629-L643 HydrophobicContact CB-CD1 4.44Å; P629-L643 HydrophobicContact CB-CD2 4.03Å; P629-L643 HydrophobicContact CG-CD2 4.41Å; Q631-L643 VanDerWaalsContact O-CA 3.29Å; Q631-L643 WeakPolarHBondContact O-CA 3.45Å; I632-L643 HydrophobicContact CB-CD2 4.11Å; I632-L643 HydrophobicContact CG1-CD2 3.76Å; I632-L643 HydrophobicContact CG2-CD2 3.92Å
644P90.2Very high92.1Very high39 Ų3959.1 Ų59.125%0.25331%0.309SS..  trans-73.2145.9-179.129.5-29.7000111.2Q631 R633 V642Q631-P644 HydrophobicContact CB-CG 3.93Å; Q631-P644 WeakPolarHBondContact CB-O 3.44Å; Q631-P644 PolarHBondContact N-O 3.14Å; R633-P644 HydrophobicContact CG-CG 4.46Å; V642-P644 WeakPolarHBondContact O-CD 3.37Å
645A91.2Very high92.2Very high22 Ų2259.2 Ų59.218%0.18231%0.31CS..  trans-120.1141.7169.400000110I546 A608 T610 H630I546-A645 HydrophobicContact CD1-CB 3.91Å; A608-A645 HydrophobicContact CB-CB 4.02Å; T610-A645 HydrophobicContact CG2-CB 4.02Å; H630-A645 HydrophobicContact CB-CB 3.78Å; H630-A645 WeakPolarHBondContact ND1-CA 3.28Å
646T90.6Very high92.3Very high35 Ų3555.7 Ų55.722%0.21529%0.294CS..  trans-138.9140.7-177.862.30000109.3G552 N557 H630 Q631G552-T646 PolarHBondContact N-O 3.4Å; N557-T646 WeakPolarHBondContact OD1-CB 3.47Å; N557-T646 WeakPolarHBondContact OD1-CG2 3.49Å; N557-T646 PolarHBondContact OD1-OG1 2.85Å; H630-T646 PolarHBondContact CE1-O 2.56Å; H630-T646 PolarHBondContact CE1-OG1 2.89Å; H630-T646 PolarHBondContact ND1-N 3.05Å; Q631-T646 PolarHBondContact NE2-OG1 3.04Å
647L92.2Very high92.4Very high107 Ų10759 Ų5956%0.5631%0.309SS*.BIsolated β-bridgetrans-71152.7174.2-72.8166.7000110.1I546 L550 F649I546-L647 HydrophobicContact CB-CD2 4.5Å; I546-L647 HydrophobicContact CD1-CD2 4.29Å; I546-L647 HydrophobicContact CD1-CG 4.07Å; I546-L647 HydrophobicContact CG1-CD2 4.26Å; I546-L647 HydrophobicContact CG1-CG 4.49Å; I546-L647 HydrophobicContact CG2-CD2 3.49Å; I546-L647 VanDerWaalsContact CG2-CD2 3.49Å; I546-L647 HydrophobicContact CG2-CG 4.38Å; L550-L647 HydrophobicContact CB-CD2 3.97Å; L550-L647 CarbonylContact O-C 3.56Å; L550-L647 WeakPolarHBondContact O-CA 3.29Å; L647-F649 PolarHBondContact O-N 3.18Å
648A92.8Very high92.6Very high21 Ų2158.5 Ų58.517%0.17431%0.306CS..PPolyproline II helixtrans-63.7123.6173.800000110.8L550L550-A648 PolarHBondContact O-N 3.19Å
649F93.2Very high92.7Very high57 Ų5751.9 Ų51.925%0.2528%0.275CS..PPolyproline II helixtrans-74.7128.9-179.1-179.1-137.7000110.7C556 L647 K651 C652 L687 L690C556-F649 HydrophobicContact CB-CB 4.03Å; C556-F649 WeakPolarHBondContact O-CB 3.43Å; C556-F649 PolarHBondContact SG-N 3.21Å; C556-F649 VanDerWaalsContact SG-N 3.36Å; L647-F649 PolarHBondContact O-N 3.18Å; F649-K651 VanDerWaalsContact C-N 3.26Å; F649-K651 HydrophobicContact CD1-CB 4.27Å; F649-K651 HydrophobicContact CE1-CB 3.64Å; F649-K651 HydrophobicContact CE2-CB 4.25Å; F649-K651 HydrophobicContact CZ-CB 3.64Å; F649-K651 HydrophobicContact CZ-CD 4.37Å; F649-K651 HydrophobicContact CZ-CG 4.31Å; F649-K651 PolarHBondContact O-N 2.86Å; F649-C652 HydrophobicContact CB-CB 4.17Å; F649-C652 HydrophobicContact CD1-CB 4.42Å; F649-C652 WeakPolarHBondContact O-CB 3.43Å; F649-C652 PolarHBondContact O-N 3.08Å; F649-C652 VanDerWaalsContact O-N 3.1Å; F649-L687 HydrophobicContact CE1-CD2 3.96Å; F649-L690 HydrophobicContact CZ-CD2 4.05Å
650T91.5Very high92.8Very high113 Ų11343.2 Ų43.269%0.69324%0.241SC*.THydrogen-bonded Turntrans-62.2-34-175.751.10000112.5S656T650-S656 WeakPolarHBondContact O-CB 3.4Å
651K92.4Very high92.8Very high48 Ų4844 Ų4421%0.20924%0.243CC..THydrogen-bonded Turntrans-97.118.2177.1-60.7178.6166.1-164.70113.5F649 S653 C685 G686 L687 L690F649-K651 VanDerWaalsContact C-N 3.26Å; F649-K651 HydrophobicContact CD1-CB 4.27Å; F649-K651 HydrophobicContact CE1-CB 3.64Å; F649-K651 HydrophobicContact CE2-CB 4.25Å; F649-K651 HydrophobicContact CZ-CB 3.64Å; F649-K651 HydrophobicContact CZ-CD 4.37Å; F649-K651 HydrophobicContact CZ-CG 4.31Å; F649-K651 PolarHBondContact O-N 2.86Å; K651-S653 PolarHBondContact O-N 3.3Å; K651-C685 VanDerWaalsContact CA-O 3.22Å; K651-C685 WeakPolarHBondContact CA-O 3.26Å; K651-C685 WeakPolarHBondContact CB-O 3.44Å; K651-C685 WeakPolarHBondContact CG-O 3.37Å; K651-C685 WeakPolarHBondContact O-CB 3.42Å; K651-C685 PolarHBondContact O-SG 3.34Å; K651-C685 VanDerWaalsContact O-SG 3.36Å; K651-G686 WeakPolarHBondContact CD-O 3.04Å; K651-G686 WeakPolarHBondContact CE-O 3.43Å; K651-G686 PolarHBondContact NZ-O 2.94Å; K651-L687 HydrophobicContact CB-CD2 4.48Å; K651-L690 HydrophobicContact CD-CB 4.21Å; K651-L690 HydrophobicContact CD-CD2 4.45Å
652C93.5Very high93Very high1 Ų139.4 Ų39.41%0.00722%0.224CC..  trans-59.4134.5-179.3179.60000112.7F555 F649 A654 S656F555-C652 VanDerWaalsContact C-SG 3.55Å; F555-C652 PolarHBondContact O-SG 2.98Å; F649-C652 HydrophobicContact CB-CB 4.17Å; F649-C652 HydrophobicContact CD1-CB 4.42Å; F649-C652 WeakPolarHBondContact O-CB 3.43Å; F649-C652 PolarHBondContact O-N 3.08Å; F649-C652 VanDerWaalsContact O-N 3.1Å; C652-A654 PolarHBondContact O-N 3.08Å; C652-A654 VanDerWaalsContact O-N 3.09Å; C652-A654 PolarHBondContact SG-N 3.07Å; C652-A654 VanDerWaalsContact SG-N 3.4Å; C652-S656 WeakPolarHBondContact O-CB 3.3Å; C652-S656 PolarHBondContact O-N 2.79Å; C652-S656 PolarHBondContact O-OG 3.02Å
653S93.3Very high93.2Very high1 Ų137.4 Ų37.41%0.00721%0.208CC..THydrogen-bonded Turntrans-67.9-5.2178.559.30000115W476 K651 L681W476-S653 PolarHBondContact NE1-O 3.12Å; K651-S653 PolarHBondContact O-N 3.3Å; S653-L681 WeakPolarHBondContact O-CD1 3.35Å; S653-L681 WeakPolarHBondContact O-CD2 3.41Å
654A93.7Very high93.3Very high0 Ų041.2 Ų41.20%022%0.222CC..THydrogen-bonded Turntrans-124.5-50.5178.200000113.6T479 V480 F555 C652 V659T479-A654 HydrophobicContact CG2-CB 3.83Å; V480-A654 HydrophobicContact CG2-CB 4.22Å; F555-A654 HydrophobicContact CB-CB 4.02Å; F555-A654 HydrophobicContact CD2-CB 3.61Å; F555-A654 HydrophobicContact CE2-CB 4.36Å; F555-A654 HydrophobicContact CG-CB 3.99Å; C652-A654 PolarHBondContact O-N 3.08Å; C652-A654 VanDerWaalsContact O-N 3.09Å; C652-A654 PolarHBondContact SG-N 3.07Å; C652-A654 VanDerWaalsContact SG-N 3.4Å; A654-V659 WeakPolarHBondContact O-CG1 3.34Å
655C94Very high93.5Very high4 Ų443 Ų433%0.02724%0.24CC..THydrogen-bonded Turntrans-105.910.3-17574.60000114.1T483 R507 C553 C556T483-C655 HydrophobicContact CG2-CB 4.04Å; R507-C655 PolarHBondContact NH1-O 2.86Å; R507-C655 PolarHBondContact NH2-O 3.49Å; C553-C655 HydrophobicContact CB-CB 4.33Å; C556-C655 PolarHBondContact SG-SG 2.99Å
656S93.8Very high93.6Very high1 Ų146 Ų461%0.00725%0.253CS..SBendtrans-63.4152172.2570000111T650 C652 S658 V659 L660T650-S656 WeakPolarHBondContact O-CB 3.4Å; C652-S656 WeakPolarHBondContact O-CB 3.3Å; C652-S656 PolarHBondContact O-N 2.79Å; C652-S656 PolarHBondContact O-OG 3.02Å; S656-S658 PolarHBondContact O-N 3.29Å; S656-S658 PolarHBondContact OG-OG 2.82Å; S656-V659 PolarHBondContact O-N 3.01Å; S656-V659 WeakPolarHBondContact OG-CB 3.48Å; S656-V659 WeakPolarHBondContact OG-CG2 3.25Å; S656-V659 PolarHBondContact OG-N 2.88Å; S656-L660 WeakPolarHBondContact O-CG 3.45Å; S656-L660 PolarHBondContact O-N 3.22Å; S656-L660 VanDerWaalsContact O-N 3.1Å
657Q93.3Very high93.8Very high96 Ų9645.6 Ų45.645%0.44926%0.256SS..Hα-helixtrans-63.5-32.2178.8-168.759.34100111.7L660 N661Q657-L660 PolarHBondContact O-N 3.42Å; Q657-N661 PolarHBondContact NE2-OD1 3.32Å; Q657-N661 VanDerWaalsContact O-CB 3.28Å; Q657-N661 WeakPolarHBondContact O-CB 3.4Å; Q657-N661 PolarHBondContact O-N 3.15Å; Q657-N661 PolarHBondContact O-ND2 3.4Å; Q657-N661 PolarHBondContact O-OD1 3.11Å
658S94.4Very high93.8Very high46 Ų4641.4 Ų41.432%0.32223%0.233SC..Hα-helixtrans-66.4-43177.358.30000112.5S656 N661 A662 I684 C685S656-S658 PolarHBondContact O-N 3.29Å; S656-S658 PolarHBondContact OG-OG 2.82Å; S658-N661 PolarHBondContact O-N 3.2Å; S658-A662 WeakPolarHBondContact O-CB 3.17Å; S658-A662 PolarHBondContact O-N 3.25Å; S658-I684 WeakPolarHBondContact CB-O 3.42Å; S658-I684 PolarHBondContact OG-O 3.08Å; S658-C685 WeakPolarHBondContact OG-CA 3.24Å
659V94.7Very high93.9Very high0 Ų044.5 Ų44.50%025%0.25CS..Hα-helixtrans-62.6-45.2174.1170.40000111.1V480 A654 S656 N661 A662 Y663 F670 L681 I684 C685V480-V659 HydrophobicContact CG2-CG1 4.26Å; A654-V659 WeakPolarHBondContact O-CG1 3.34Å; S656-V659 PolarHBondContact O-N 3.01Å; S656-V659 WeakPolarHBondContact OG-CB 3.48Å; S656-V659 WeakPolarHBondContact OG-CG2 3.25Å; S656-V659 PolarHBondContact OG-N 2.88Å; V659-N661 VanDerWaalsContact C-N 3.35Å; V659-N661 PolarHBondContact O-N 3.46Å; V659-A662 PolarHBondContact O-N 3.45Å; V659-Y663 PolarHBondContact O-N 3.37Å; V659-F670 HydrophobicContact CG1-CE1 4.44Å; V659-F670 HydrophobicContact CG1-CZ 4.1Å; V659-L681 HydrophobicContact CG1-CD1 4.44Å; V659-L681 HydrophobicContact CG2-CD1 3.81Å; V659-I684 HydrophobicContact CG2-CG2 4.24Å; V659-C685 HydrophobicContact CG2-CB 3.88Å
660L94.6Very high93.9Very high5 Ų541.8 Ų41.83%0.02624%0.238CC..Hα-helixtrans-63.9-39.9178.2-64.2176.4000112.1T483 A484 S656 Q657 K664T483-L660 HydrophobicContact CG2-CD1 3.83Å; T483-L660 HydrophobicContact CG2-CD2 3.9Å; T483-L660 HydrophobicContact CG2-CG 4.45Å; A484-L660 HydrophobicContact CB-CD2 4.23Å; S656-L660 WeakPolarHBondContact O-CG 3.45Å; S656-L660 PolarHBondContact O-N 3.22Å; S656-L660 VanDerWaalsContact O-N 3.1Å; Q657-L660 PolarHBondContact O-N 3.42Å; L660-K664 WeakPolarHBondContact O-CB 3.42Å; L660-K664 VanDerWaalsContact O-CG 3.26Å; L660-K664 WeakPolarHBondContact O-CG 3.45Å; L660-K664 PolarHBondContact O-N 3.43Å
661N95Very high94.1Very high86 Ų8636.6 Ų36.646%0.4621%0.206SC..Hα-helixtrans-66-42.7175.8-72.5-8.6000111.2Q657 S658 V659 K664 A665Q657-N661 PolarHBondContact NE2-OD1 3.32Å; Q657-N661 VanDerWaalsContact O-CB 3.28Å; Q657-N661 WeakPolarHBondContact O-CB 3.4Å; Q657-N661 PolarHBondContact O-N 3.15Å; Q657-N661 PolarHBondContact O-ND2 3.4Å; Q657-N661 PolarHBondContact O-OD1 3.11Å; S658-N661 PolarHBondContact O-N 3.2Å; V659-N661 VanDerWaalsContact C-N 3.35Å; V659-N661 PolarHBondContact O-N 3.46Å; N661-K664 PolarHBondContact O-N 3.14Å; N661-A665 VanDerWaalsContact O-CB 3.26Å; N661-A665 WeakPolarHBondContact O-CB 3.5Å; N661-A665 PolarHBondContact O-N 2.96Å
662A95.4Very high94.1Very high13 Ų1338 Ų3811%0.10721%0.21CC..Hα-helixtrans-62.6-43.217800000111.9S658 V659 N666 F670 I684S658-A662 WeakPolarHBondContact O-CB 3.17Å; S658-A662 PolarHBondContact O-N 3.25Å; V659-A662 PolarHBondContact O-N 3.45Å; A662-N666 PolarHBondContact O-N 3.44Å; A662-N666 PolarHBondContact O-ND2 3.16Å; A662-F670 HydrophobicContact CB-CD2 3.58Å; A662-F670 HydrophobicContact CB-CE2 3.66Å; A662-F670 HydrophobicContact CB-CG 4.15Å; A662-F670 HydrophobicContact CB-CZ 4.27Å; A662-I684 HydrophobicContact CB-CG2 3.98Å
663Y95.3Very high94.1Very high33 Ų3341.8 Ų41.813%0.12923%0.228CC..Hα-helixtrans-63.8-46.2173.8175.4-111.4000112.2V480 L481 A484 V659 A665 G667 F670 L671V480-Y663 HydrophobicContact CG1-CD1 4.49Å; V480-Y663 HydrophobicContact CG1-CG 4.29Å; L481-Y663 HydrophobicContact CD2-CE1 4.04Å; L481-Y663 HydrophobicContact CD2-CE2 4.15Å; L481-Y663 WeakPolarHBondContact CD2-OH 3.45Å; A484-Y663 HydrophobicContact CB-CD1 3.88Å; A484-Y663 HydrophobicContact CB-CE1 3.92Å; V659-Y663 PolarHBondContact O-N 3.37Å; Y663-A665 VanDerWaalsContact C-N 3.32Å; Y663-A665 PolarHBondContact O-N 3.48Å; Y663-G667 VanDerWaalsContact O-CA 3.29Å; Y663-G667 WeakPolarHBondContact O-CA 3.3Å; Y663-G667 PolarHBondContact O-N 2.92Å; Y663-F670 HydrophobicContact CD2-CD1 4.33Å; Y663-L671 HydrophobicContact CD2-CD1 4.27Å; Y663-L671 HydrophobicContact CD2-CD2 3.96Å; Y663-L671 HydrophobicContact CD2-CG 4.03Å; Y663-L671 HydrophobicContact CE2-CD1 3.83Å; Y663-L671 HydrophobicContact CE2-CD2 4.31Å; Y663-L671 HydrophobicContact CE2-CG 4.11Å
664K93.3Very high94.1Very high137 Ų13741.7 Ų41.760%0.59623%0.227SC*.Hα-helixtrans-64.1-35.3179-75.7175.2-179.2-178.30113L660 N661L660-K664 WeakPolarHBondContact O-CB 3.42Å; L660-K664 VanDerWaalsContact O-CG 3.26Å; L660-K664 WeakPolarHBondContact O-CG 3.45Å; L660-K664 PolarHBondContact O-N 3.43Å; N661-K664 PolarHBondContact O-N 3.14Å
665A95.4Very high94Very high76 Ų7641.7 Ų41.763%0.62823%0.227SC*.Hα-helixtrans-77.8-41.3-178.800000112.9N661 Y663N661-A665 VanDerWaalsContact O-CB 3.26Å; N661-A665 WeakPolarHBondContact O-CB 3.5Å; N661-A665 PolarHBondContact O-N 2.96Å; Y663-A665 VanDerWaalsContact C-N 3.32Å; Y663-A665 PolarHBondContact O-N 3.48Å
666N94Very high93.8Very high85 Ų8543.5 Ų43.546%0.45524%0.237SC..Hα-helixtrans-117.6-3.8-167.8-57.9-58.9000114.4A662 Y668 T669 F670A662-N666 PolarHBondContact O-N 3.44Å; A662-N666 PolarHBondContact O-ND2 3.16Å; N666-Y668 PolarHBondContact O-N 3.34Å; N666-T669 WeakPolarHBondContact O-CB 3.46Å; N666-T669 PolarHBondContact O-N 3.23Å; N666-F670 HydrophobicContact CB-CB 3.92Å
667G93.4Very high93.6Very high27 Ų2746.4 Ų46.428%0.27825%0.252SS..THydrogen-bonded Turntrans51.4-126.1176.400000113.4Y663 T669 F670 L671Y663-G667 VanDerWaalsContact O-CA 3.29Å; Y663-G667 WeakPolarHBondContact O-CA 3.3Å; Y663-G667 PolarHBondContact O-N 2.92Å; G667-T669 VanDerWaalsContact C-N 3.29Å; G667-T669 PolarHBondContact O-N 3.25Å; G667-F670 PolarHBondContact O-N 3.31Å; G667-L671 PolarHBondContact O-N 3.16Å
668Y93.3Very high93.2Very high19 Ų1942.7 Ų42.78%0.07524%0.238CC..Hα-helixtrans-63.8-30.5-179.4-179.5-108.2000113.4E445 E449 C452 N666 F670 L671 R672 F675E445-Y668 PolarHBondContact O-OH 2.78Å; E445-Y668 VanDerWaalsContact O-OH 3.07Å; E449-Y668 HydrophobicContact CB-CD1 3.93Å; E449-Y668 HydrophobicContact CB-CD2 4.11Å; E449-Y668 HydrophobicContact CB-CE1 3.62Å; E449-Y668 HydrophobicContact CB-CE2 3.8Å; E449-Y668 HydrophobicContact CB-CG 4.18Å; E449-Y668 HydrophobicContact CG-CD1 3.7Å; E449-Y668 HydrophobicContact CG-CD2 4.11Å; E449-Y668 HydrophobicContact CG-CE1 3.95Å; E449-Y668 HydrophobicContact CG-CE2 4.32Å; E449-Y668 HydrophobicContact CG-CG 3.8Å; E449-Y668 PolarHBondContact N-OH 3.43Å; C452-Y668 HydrophobicContact CB-CD2 4.03Å; C452-Y668 HydrophobicContact CB-CE2 4.38Å; N666-Y668 PolarHBondContact O-N 3.34Å; Y668-F670 VanDerWaalsContact C-N 3.29Å; Y668-F670 PolarHBondContact O-N 2.74Å; Y668-L671 HydrophobicContact CD2-CB 4.38Å; Y668-L671 WeakPolarHBondContact O-CB 3.36Å; Y668-L671 PolarHBondContact O-N 3.42Å; Y668-L671 VanDerWaalsContact O-N 3.08Å; Y668-R672 HydrophobicContact CE1-CB 4.19Å; Y668-R672 WeakPolarHBondContact O-CB 3.48Å; Y668-R672 PolarHBondContact O-N 3.18Å; Y668-F675 HydrophobicContact CE2-CE2 4.36Å
669T93.6Very high92.9Very high86 Ų8642.9 Ų42.953%0.52824%0.239SC..Hα-helixtrans-60.2-40178.4-53.10000111.9N666 G667 Q673N666-T669 WeakPolarHBondContact O-CB 3.46Å; N666-T669 PolarHBondContact O-N 3.23Å; G667-T669 VanDerWaalsContact C-N 3.29Å; G667-T669 PolarHBondContact O-N 3.25Å; T669-Q673 WeakPolarHBondContact O-CG 3.49Å; T669-Q673 PolarHBondContact O-N 2.94Å
670F94.9Very high92.7Very high0 Ų045 Ų450%025%0.247CC..Hα-helixtrans-64.5-46.5172.7162.8-101.5000111.5W476 V659 A662 Y663 N666 G667 Y668 R672 Q673 V674 Y680 L681 I684W476-F670 HydrophobicContact CH2-CE1 4.1Å; W476-F670 HydrophobicContact CH2-CZ 4.47Å; W476-F670 HydrophobicContact CZ2-CE1 4.32Å; W476-F670 HydrophobicContact CZ2-CZ 4.37Å; V659-F670 HydrophobicContact CG1-CE1 4.44Å; V659-F670 HydrophobicContact CG1-CZ 4.1Å; A662-F670 HydrophobicContact CB-CD2 3.58Å; A662-F670 HydrophobicContact CB-CE2 3.66Å; A662-F670 HydrophobicContact CB-CG 4.15Å; A662-F670 HydrophobicContact CB-CZ 4.27Å; Y663-F670 HydrophobicContact CD2-CD1 4.33Å; N666-F670 HydrophobicContact CB-CB 3.92Å; G667-F670 PolarHBondContact O-N 3.31Å; Y668-F670 VanDerWaalsContact C-N 3.29Å; Y668-F670 PolarHBondContact O-N 2.74Å; F670-R672 PolarHBondContact O-N 3Å; F670-Q673 PolarHBondContact O-N 3.37Å; F670-V674 HydrophobicContact CD2-CG2 4.33Å; F670-V674 HydrophobicContact CE1-CG2 4.24Å; F670-V674 HydrophobicContact CE2-CG2 3.79Å; F670-V674 HydrophobicContact CZ-CG2 3.74Å; F670-V674 WeakPolarHBondContact O-CG2 3.37Å; F670-V674 PolarHBondContact O-N 2.91Å; F670-V674 VanDerWaalsContact O-N 3.14Å; F670-Y680 AromaticContact CD2-CE1 3.7Å; F670-Y680 HydrophobicContact CD2-CE1 3.7Å; F670-Y680 AromaticContact CE2-CE1 3.94Å; F670-Y680 HydrophobicContact CE2-CE1 3.94Å; F670-L681 HydrophobicContact CZ-CD1 4.17Å; F670-I684 HydrophobicContact CE2-CG1 4.45Å; F670-I684 HydrophobicContact CE2-CG2 4.34Å
671L94.9Very high92.5Very high4 Ų444.8 Ų44.82%0.02125%0.246CC..Hα-helixtrans-60.2-45.8-179.6-65-176.7000111.8C452 W476 L477 Y663 G667 Y668 Q673 V674 F675C452-L671 HydrophobicContact CB-CD1 4.15Å; W476-L671 HydrophobicContact CH2-CD2 3.8Å; W476-L671 HydrophobicContact CZ3-CD2 3.95Å; L477-L671 HydrophobicContact CD1-CD1 3.74Å; L477-L671 HydrophobicContact CD1-CD2 3.72Å; L477-L671 HydrophobicContact CD1-CG 4.37Å; Y663-L671 HydrophobicContact CD2-CD1 4.27Å; Y663-L671 HydrophobicContact CD2-CD2 3.96Å; Y663-L671 HydrophobicContact CD2-CG 4.03Å; Y663-L671 HydrophobicContact CE2-CD1 3.83Å; Y663-L671 HydrophobicContact CE2-CD2 4.31Å; Y663-L671 HydrophobicContact CE2-CG 4.11Å; G667-L671 PolarHBondContact O-N 3.16Å; Y668-L671 HydrophobicContact CD2-CB 4.38Å; Y668-L671 WeakPolarHBondContact O-CB 3.36Å; Y668-L671 PolarHBondContact O-N 3.42Å; Y668-L671 VanDerWaalsContact O-N 3.08Å; L671-Q673 VanDerWaalsContact C-N 3.32Å; L671-Q673 PolarHBondContact O-N 3.49Å; L671-V674 PolarHBondContact O-N 3.29Å; L671-V674 VanDerWaalsContact O-N 3.11Å; L671-F675 HydrophobicContact CB-CD2 4.45Å; L671-F675 HydrophobicContact CB-CE2 3.64Å; L671-F675 HydrophobicContact CB-CZ 3.72Å; L671-F675 HydrophobicContact CG-CZ 4.49Å; L671-F675 WeakPolarHBondContact O-CD2 3.33Å; L671-F675 WeakPolarHBondContact O-CE2 3.46Å; L671-F675 WeakPolarHBondContact O-CG 3.14Å; L671-F675 PolarHBondContact O-N 2.93Å
672R92.9Very high92.3Very high77 Ų7741.9 Ų41.929%0.29123%0.23SC..Hα-helixtrans-53.7-47.9175.5179.3-172.5166.1174.23.5111.7V426 E445 Y668 F670 V674 F675 D676V426-R672 HydrophobicContact CG2-CG 4.1Å; E445-R672 WeakPolarHBondContact OE1-CD 3.14Å; E445-R672 IonicContact OE1-CZ 3Å; E445-R672 IonicContact OE1-NE 3.71Å; E445-R672 PolarHBondContact OE1-NE 3.39Å; E445-R672 VanDerWaalsContact OE1-NE 3.09Å; E445-R672 IonicContact OE1-NH1 2.92Å; E445-R672 PolarHBondContact OE1-NH1 3.01Å; E445-R672 IonicContact OE1-NH2 3.68Å; E445-R672 IonicContact OE2-CZ 3.72Å; E445-R672 IonicContact OE2-NH1 2.86Å; E445-R672 IonicContact OE2-NH2 3.72Å; Y668-R672 HydrophobicContact CE1-CB 4.19Å; Y668-R672 WeakPolarHBondContact O-CB 3.48Å; Y668-R672 PolarHBondContact O-N 3.18Å; F670-R672 PolarHBondContact O-N 3Å; R672-V674 VanDerWaalsContact C-N 3.31Å; R672-V674 PolarHBondContact O-N 3.19Å; R672-F675 PolarHBondContact O-N 3.12Å; R672-D676 IonicContact NE-OD2 3.63Å; R672-D676 WeakPolarHBondContact O-CB 3.49Å; R672-D676 PolarHBondContact O-N 2.9Å
673Q92.6Very high92.1Very high81 Ų8147.6 Ų47.638%0.37925%0.249SC..Hα-helixtrans-61.6-39178.9-71.9174.8-27.800112.1T669 F670 L671 D677 Y680T669-Q673 WeakPolarHBondContact O-CG 3.49Å; T669-Q673 PolarHBondContact O-N 2.94Å; F670-Q673 PolarHBondContact O-N 3.37Å; L671-Q673 VanDerWaalsContact C-N 3.32Å; L671-Q673 PolarHBondContact O-N 3.49Å; Q673-D677 PolarHBondContact O-N 2.98Å; Q673-Y680 HydrophobicContact CB-CD1 3.54Å; Q673-Y680 HydrophobicContact CB-CE1 3.61Å; Q673-Y680 HydrophobicContact CB-CG 4.15Å; Q673-Y680 HydrophobicContact CG-CE1 4.49Å; Q673-Y680 VanDerWaalsContact OE1-CE1 3.29Å; Q673-Y680 PolarHBondContact OE1-OH 3.25Å
674V92.9Very high91.9Very high0 Ų048.4 Ų48.40%026%0.255CS..Hα-helixtrans-68.1-37.5175.8176.50000112.1P422 G423 W476 F670 L671 R672 D677 Y680 L681P422-V674 HydrophobicContact CB-CG1 3.94Å; P422-V674 HydrophobicContact CG-CG1 3.97Å; G423-V674 PolarHBondContact N-O 3.44Å; W476-V674 HydrophobicContact CE3-CG1 4.4Å; W476-V674 HydrophobicContact CH2-CB 3.86Å; W476-V674 HydrophobicContact CH2-CG1 3.51Å; W476-V674 HydrophobicContact CH2-CG2 3.97Å; W476-V674 HydrophobicContact CZ2-CB 4.43Å; W476-V674 HydrophobicContact CZ2-CG1 3.79Å; W476-V674 HydrophobicContact CZ2-CG2 4.28Å; W476-V674 HydrophobicContact CZ3-CB 4.34Å; W476-V674 HydrophobicContact CZ3-CG1 3.84Å; F670-V674 HydrophobicContact CD2-CG2 4.33Å; F670-V674 HydrophobicContact CE1-CG2 4.24Å; F670-V674 HydrophobicContact CE2-CG2 3.79Å; F670-V674 HydrophobicContact CZ-CG2 3.74Å; F670-V674 WeakPolarHBondContact O-CG2 3.37Å; F670-V674 PolarHBondContact O-N 2.91Å; F670-V674 VanDerWaalsContact O-N 3.14Å; L671-V674 PolarHBondContact O-N 3.29Å; L671-V674 VanDerWaalsContact O-N 3.11Å; R672-V674 VanDerWaalsContact C-N 3.31Å; R672-V674 PolarHBondContact O-N 3.19Å; V674-D677 CarbonylContact O-C 3.59Å; V674-Y680 HydrophobicContact CG2-CD1 3.82Å; V674-Y680 HydrophobicContact CG2-CE1 4.33Å; V674-L681 HydrophobicContact CG1-CB 4.23Å; V674-L681 HydrophobicContact CG1-CD2 4.15Å; V674-L681 HydrophobicContact CG2-CB 4.36Å; V674-L681 HydrophobicContact CG2-CD1 4.2Å
675F92.8Very high91.8Very high0 Ų042 Ų420%023%0.228CC..Hα-helixtrans-66.4-44.5176.5-55.3-34.7000111.4P420 G423 H424 V426 W476 L477 Y668 L671 R672P420-F675 HydrophobicContact CB-CD1 4.1Å; P420-F675 HydrophobicContact CB-CD2 3.85Å; P420-F675 HydrophobicContact CB-CE1 3.86Å; P420-F675 HydrophobicContact CB-CE2 3.61Å; P420-F675 HydrophobicContact CB-CG 4.11Å; P420-F675 HydrophobicContact CB-CZ 3.63Å; P420-F675 HydrophobicContact CG-CE2 4.25Å; P420-F675 HydrophobicContact CG-CZ 4.39Å; G423-F675 CarbonylContact C-O 3.6Å; G423-F675 WeakPolarHBondContact CA-O 3.22Å; G423-F675 PolarHBondContact N-O 2.97Å; G423-F675 VanDerWaalsContact N-O 3.09Å; H424-F675 CarbonylContact C-O 3.4Å; H424-F675 VanDerWaalsContact C-O 3.24Å; H424-F675 PolarHBondContact N-O 2.79Å; V426-F675 HydrophobicContact CG1-CB 4.24Å; V426-F675 HydrophobicContact CG1-CD2 4.32Å; V426-F675 HydrophobicContact CG2-CB 4.17Å; V426-F675 HydrophobicContact CG2-CD2 4.19Å; W476-F675 HydrophobicContact CE3-CE1 4.31Å; W476-F675 AromaticContact CZ3-CE1 3.79Å; W476-F675 HydrophobicContact CZ3-CE1 3.79Å; W476-F675 HydrophobicContact CZ3-CZ 4.48Å; L477-F675 HydrophobicContact CD2-CZ 4.09Å; Y668-F675 HydrophobicContact CE2-CE2 4.36Å; L671-F675 HydrophobicContact CB-CD2 4.45Å; L671-F675 HydrophobicContact CB-CE2 3.64Å; L671-F675 HydrophobicContact CB-CZ 3.72Å; L671-F675 HydrophobicContact CG-CZ 4.49Å; L671-F675 WeakPolarHBondContact O-CD2 3.33Å; L671-F675 WeakPolarHBondContact O-CE2 3.46Å; L671-F675 WeakPolarHBondContact O-CG 3.14Å; L671-F675 PolarHBondContact O-N 2.93Å; R672-F675 PolarHBondContact O-N 3.12Å
676D89.7Confident91.5Very high41 Ų4138.9 Ų38.922%0.21920%0.202CC..Hα-helixtrans-71.1-35.7180-68.7-19.8000112.8P425 V426 S427 R672P425-D676 VanDerWaalsContact CA-OD1 3.27Å; P425-D676 WeakPolarHBondContact CA-OD1 3.5Å; V426-D676 PolarHBondContact N-OD1 2.92Å; S427-D676 VanDerWaalsContact CB-OD2 3.26Å; S427-D676 WeakPolarHBondContact CB-OD2 3.45Å; S427-D676 PolarHBondContact N-OD1 3.41Å; S427-D676 PolarHBondContact OG-OD1 3.13Å; S427-D676 PolarHBondContact OG-OD2 3.24Å; R672-D676 IonicContact NE-OD2 3.63Å; R672-D676 WeakPolarHBondContact O-CB 3.49Å; R672-D676 PolarHBondContact O-N 2.9Å
677D88.3Confident91.1Very high63 Ų6334.9 Ų34.934%0.33718%0.181SC..  trans-142.6103.8-178.8175.818000111.7Q673 V674 S679 Y680 R683Q673-D677 PolarHBondContact O-N 2.98Å; V674-D677 CarbonylContact O-C 3.59Å; D677-S679 PolarHBondContact O-N 2.64Å; D677-S679 WeakPolarHBondContact OD1-CB 3.44Å; D677-S679 PolarHBondContact OD1-N 2.84Å; D677-S679 PolarHBondContact OD1-OG 3.23Å; D677-S679 PolarHBondContact OD2-OG 2.89Å; D677-Y680 WeakPolarHBondContact O-CB 3.49Å; D677-Y680 PolarHBondContact O-N 3.43Å; D677-Y680 VanDerWaalsContact O-N 3.11Å; D677-R683 IonicContact OD2-NH2 2.64Å; D677-R683 PolarHBondContact OD2-NH2 3.16Å
678A86.1Confident90.8Very high18 Ų1836.6 Ų36.615%0.14918%0.182CC..Hα-helixtrans-61.5-27.7178.100000113.3P562 Y680 L681P562-A678 WeakPolarHBondContact O-CB 3.48Å; A678-Y680 PolarHBondContact O-N 3.19Å; A678-L681 WeakPolarHBondContact O-CB 3.47Å; A678-L681 PolarHBondContact O-N 2.59Å; A678-L681 VanDerWaalsContact O-N 3.16Å
679S87.4Confident90.4Very high49 Ų4940 Ų4034%0.34320%0.201SC..Hα-helixtrans-69.9-21.4178.876.60000112.7D677 L681 E682 R683D677-S679 PolarHBondContact O-N 2.64Å; D677-S679 WeakPolarHBondContact OD1-CB 3.44Å; D677-S679 PolarHBondContact OD1-N 2.84Å; D677-S679 PolarHBondContact OD1-OG 3.23Å; D677-S679 PolarHBondContact OD2-OG 2.89Å; S679-L681 PolarHBondContact O-N 3.09Å; S679-E682 PolarHBondContact O-N 3.45Å; S679-R683 PolarHBondContact O-N 3.24Å
680Y90.9Very high89.9Confident44 Ų4437.5 Ų37.517%0.17318%0.184CC..Hα-helixtrans-57.3-37.7171.3-179.6-113.3000111.5F670 Q673 V674 D677 A678 R683 I684F670-Y680 AromaticContact CD2-CE1 3.7Å; F670-Y680 HydrophobicContact CD2-CE1 3.7Å; F670-Y680 AromaticContact CE2-CE1 3.94Å; F670-Y680 HydrophobicContact CE2-CE1 3.94Å; Q673-Y680 HydrophobicContact CB-CD1 3.54Å; Q673-Y680 HydrophobicContact CB-CE1 3.61Å; Q673-Y680 HydrophobicContact CB-CG 4.15Å; Q673-Y680 HydrophobicContact CG-CE1 4.49Å; Q673-Y680 VanDerWaalsContact OE1-CE1 3.29Å; Q673-Y680 PolarHBondContact OE1-OH 3.25Å; V674-Y680 HydrophobicContact CG2-CD1 3.82Å; V674-Y680 HydrophobicContact CG2-CE1 4.33Å; D677-Y680 WeakPolarHBondContact O-CB 3.49Å; D677-Y680 PolarHBondContact O-N 3.43Å; D677-Y680 VanDerWaalsContact O-N 3.11Å; A678-Y680 PolarHBondContact O-N 3.19Å; Y680-R683 PolarHBondContact O-N 3.07Å; Y680-I684 HydrophobicContact CD1-CG1 4.47Å; Y680-I684 HydrophobicContact CD2-CG1 4.48Å; Y680-I684 HydrophobicContact CE1-CG1 4.03Å; Y680-I684 HydrophobicContact CE2-CD1 4.1Å; Y680-I684 HydrophobicContact CE2-CG1 4.04Å; Y680-I684 WeakPolarHBondContact O-CG1 3.45Å; Y680-I684 PolarHBondContact O-N 3.03Å; Y680-I684 VanDerWaalsContact O-N 3.15Å
681L91.1Very high89.3Confident1 Ų139.5 Ų39.51%0.00519%0.194CC..Hα-helixtrans-65.9-41.9178.8-17259.4000112.4W476 P562 S653 V659 F670 V674 A678 S679 R683 I684 C685W476-L681 HydrophobicContact CZ2-CD1 3.79Å; W476-L681 HydrophobicContact CZ2-CD2 3.99Å; P562-L681 HydrophobicContact CG-CD2 3.92Å; S653-L681 WeakPolarHBondContact O-CD1 3.35Å; S653-L681 WeakPolarHBondContact O-CD2 3.41Å; V659-L681 HydrophobicContact CG1-CD1 4.44Å; V659-L681 HydrophobicContact CG2-CD1 3.81Å; F670-L681 HydrophobicContact CZ-CD1 4.17Å; V674-L681 HydrophobicContact CG1-CB 4.23Å; V674-L681 HydrophobicContact CG1-CD2 4.15Å; V674-L681 HydrophobicContact CG2-CB 4.36Å; V674-L681 HydrophobicContact CG2-CD1 4.2Å; A678-L681 WeakPolarHBondContact O-CB 3.47Å; A678-L681 PolarHBondContact O-N 2.59Å; A678-L681 VanDerWaalsContact O-N 3.16Å; S679-L681 PolarHBondContact O-N 3.09Å; L681-R683 VanDerWaalsContact C-N 3.31Å; L681-R683 PolarHBondContact O-N 2.95Å; L681-I684 PolarHBondContact O-N 2.9Å; L681-C685 PolarHBondContact O-N 2.6Å; L681-C685 PolarHBondContact O-SG 3.05Å
682E89.7Confident88.7Confident25 Ų2542.8 Ų42.812%0.11721%0.211CC..Hα-helixtrans-64.8-35.5179.9-64.3-171170.700112.2G561 S679 G686 L687 Q688G561-E682 PolarHBondContact N-OE1 3.46Å; S679-E682 PolarHBondContact O-N 3.45Å; E682-G686 PolarHBondContact O-N 2.83Å; E682-G686 VanDerWaalsContact O-N 3.12Å; E682-L687 HydrophobicContact CB-CB 4.06Å; E682-L687 HydrophobicContact CG-CB 4.32Å; E682-L687 HydrophobicContact CG-CD1 4.44Å; E682-L687 PolarHBondContact O-N 2.95Å; E682-Q688 PolarHBondContact O-N 2.91Å; E682-Q688 VanDerWaalsContact O-N 3.16Å
683R90.7Very high88.2Confident133 Ų13344.3 Ų44.350%0.50222%0.222SC..Hα-helixtrans-65.3-43.9171.8-70-178.7-70.2-163.8-6.5112.1D677 S679 Y680 L681 G686 Q688D677-R683 IonicContact OD2-NH2 2.64Å; D677-R683 PolarHBondContact OD2-NH2 3.16Å; S679-R683 PolarHBondContact O-N 3.24Å; Y680-R683 PolarHBondContact O-N 3.07Å; L681-R683 VanDerWaalsContact C-N 3.31Å; L681-R683 PolarHBondContact O-N 2.95Å; R683-G686 PolarHBondContact O-N 2.92Å; R683-Q688 HydrophobicContact CG-CB 4.23Å; R683-Q688 HydrophobicContact CG-CG 4.38Å
684I91.7Very high87.5Confident50 Ų5044.2 Ų44.226%0.25622%0.223SC..Hα-helixtrans-68.5-37.4-178.6-67.5-65.8000112S658 V659 A662 F670 Y680 L681S658-I684 WeakPolarHBondContact CB-O 3.42Å; S658-I684 PolarHBondContact OG-O 3.08Å; V659-I684 HydrophobicContact CG2-CG2 4.24Å; A662-I684 HydrophobicContact CB-CG2 3.98Å; F670-I684 HydrophobicContact CE2-CG1 4.45Å; F670-I684 HydrophobicContact CE2-CG2 4.34Å; Y680-I684 HydrophobicContact CD1-CG1 4.47Å; Y680-I684 HydrophobicContact CD2-CG1 4.48Å; Y680-I684 HydrophobicContact CE1-CG1 4.03Å; Y680-I684 HydrophobicContact CE2-CD1 4.1Å; Y680-I684 HydrophobicContact CE2-CG1 4.04Å; Y680-I684 WeakPolarHBondContact O-CG1 3.45Å; Y680-I684 PolarHBondContact O-N 3.03Å; Y680-I684 VanDerWaalsContact O-N 3.15Å; L681-I684 PolarHBondContact O-N 2.9Å
685C90.6Very high86.6Confident4 Ų448.6 Ų48.63%0.02725%0.246CC..Hα-helixtrans-87.7-5.2-179.572.70000114.2K651 S658 V659 L681 L687K651-C685 VanDerWaalsContact CA-O 3.22Å; K651-C685 WeakPolarHBondContact CA-O 3.26Å; K651-C685 WeakPolarHBondContact CB-O 3.44Å; K651-C685 WeakPolarHBondContact CG-O 3.37Å; K651-C685 WeakPolarHBondContact O-CB 3.42Å; K651-C685 PolarHBondContact O-SG 3.34Å; K651-C685 VanDerWaalsContact O-SG 3.36Å; S658-C685 WeakPolarHBondContact OG-CA 3.24Å; V659-C685 HydrophobicContact CG2-CB 3.88Å; L681-C685 PolarHBondContact O-N 2.6Å; L681-C685 PolarHBondContact O-SG 3.05Å; C685-L687 VanDerWaalsContact C-N 3.33Å; C685-L687 VanDerWaalsContact SG-CD1 3.54Å; C685-L687 WeakPolarHBondContact SG-CG 3.21Å
686G89.2Confident85.5Confident9 Ų952.3 Ų52.39%0.09327%0.269CS..THydrogen-bonded Turntrans7715.8-179.700000114.2K651 E682 R683 Q688 L690K651-G686 WeakPolarHBondContact CD-O 3.04Å; K651-G686 WeakPolarHBondContact CE-O 3.43Å; K651-G686 PolarHBondContact NZ-O 2.94Å; E682-G686 PolarHBondContact O-N 2.83Å; E682-G686 VanDerWaalsContact O-N 3.12Å; R683-G686 PolarHBondContact O-N 2.92Å; G686-Q688 VanDerWaalsContact C-N 3.35Å; G686-L690 PolarHBondContact O-N 3.2Å
687L87.1Confident84.2Confident1 Ų156.8 Ų56.81%0.00529%0.289CS..Hα-helixtrans-69.5-34.9171.8-80.9175.1000111.2V559 F649 K651 E682 C685 D689 L690 H691V559-L687 WeakPolarHBondContact O-CD2 3.2Å; F649-L687 HydrophobicContact CE1-CD2 3.96Å; K651-L687 HydrophobicContact CB-CD2 4.48Å; E682-L687 HydrophobicContact CB-CB 4.06Å; E682-L687 HydrophobicContact CG-CB 4.32Å; E682-L687 HydrophobicContact CG-CD1 4.44Å; E682-L687 PolarHBondContact O-N 2.95Å; C685-L687 VanDerWaalsContact C-N 3.33Å; C685-L687 VanDerWaalsContact SG-CD1 3.54Å; C685-L687 WeakPolarHBondContact SG-CG 3.21Å; L687-D689 VanDerWaalsContact C-N 3.35Å; L687-D689 PolarHBondContact O-N 3.25Å; L687-L690 HydrophobicContact CD2-CD2 4.12Å; L687-L690 WeakPolarHBondContact O-CB 2.99Å; L687-L690 PolarHBondContact O-N 3.11Å; L687-H691 VanDerWaalsContact O-CG 3.31Å; L687-H691 PolarHBondContact O-N 2.97Å; L687-H691 PolarHBondContact O-ND1 3.09Å
688Q85.6Confident82.8Confident64 Ų6456.5 Ų56.530%0.29929%0.292SS..Hα-helixtrans-57.4-50.1174.2-174.965.845.900110.6E682 R683 G686 L690 H691 D692E682-Q688 PolarHBondContact O-N 2.91Å; E682-Q688 VanDerWaalsContact O-N 3.16Å; R683-Q688 HydrophobicContact CG-CB 4.23Å; R683-Q688 HydrophobicContact CG-CG 4.38Å; G686-Q688 VanDerWaalsContact C-N 3.35Å; Q688-L690 VanDerWaalsContact C-N 3.27Å; Q688-L690 PolarHBondContact O-N 2.99Å; Q688-H691 PolarHBondContact O-N 3.22Å; Q688-H691 VanDerWaalsContact O-N 3.12Å; Q688-D692 PolarHBondContact NE2-OD1 3.46Å; Q688-D692 PolarHBondContact NE2-OD2 3.18Å; Q688-D692 VanDerWaalsContact O-CG 3.26Å; Q688-D692 PolarHBondContact O-N 3.36Å
689D85.7Confident81.4Confident89 Ų8961.1 Ų61.148%0.47631%0.313SS..Hα-helixtrans-60.7-38.1178.2-51.5-33.9000111.6L687 D692 E693L687-D689 VanDerWaalsContact C-N 3.35Å; L687-D689 PolarHBondContact O-N 3.25Å; D689-D692 PolarHBondContact O-N 3.48Å; D689-E693 WeakPolarHBondContact O-CB 3.47Å; D689-E693 VanDerWaalsContact O-CG 3.28Å; D689-E693 WeakPolarHBondContact O-CG 3.19Å; D689-E693 PolarHBondContact O-N 3.45Å
690L83.9Confident80Confident35 Ų3563.8 Ų63.818%0.18332%0.323CS..Hα-helixtrans-64.9-41.2176.2-174.768.1000112.1V559 F649 K651 G686 L687 Q688 I694V559-L690 HydrophobicContact CG1-CD2 4.44Å; F649-L690 HydrophobicContact CZ-CD2 4.05Å; K651-L690 HydrophobicContact CD-CB 4.21Å; K651-L690 HydrophobicContact CD-CD2 4.45Å; G686-L690 PolarHBondContact O-N 3.2Å; L687-L690 HydrophobicContact CD2-CD2 4.12Å; L687-L690 WeakPolarHBondContact O-CB 2.99Å; L687-L690 PolarHBondContact O-N 3.11Å; Q688-L690 VanDerWaalsContact C-N 3.27Å; Q688-L690 PolarHBondContact O-N 2.99Å; L690-I694 HydrophobicContact CG-CD1 4.22Å; L690-I694 WeakPolarHBondContact O-CD1 3.48Å; L690-I694 VanDerWaalsContact O-CG1 3.29Å; L690-I694 WeakPolarHBondContact O-CG1 3.08Å; L690-I694 PolarHBondContact O-N 2.62Å; L690-I694 VanDerWaalsContact O-N 3.14Å
691H81.9Confident78.4Confident42 Ų4269 Ų6919%0.19435%0.351CS..Hα-helixtrans-66.1-39.9175.9-67.2153.2000111.5V559 L687 Q688 I694 N695V559-H691 PolarHBondContact O-CE1 3.32Å; V559-H691 PolarHBondContact O-NE2 3.37Å; L687-H691 VanDerWaalsContact O-CG 3.31Å; L687-H691 PolarHBondContact O-N 2.97Å; L687-H691 PolarHBondContact O-ND1 3.09Å; Q688-H691 PolarHBondContact O-N 3.22Å; Q688-H691 VanDerWaalsContact O-N 3.12Å; H691-I694 PolarHBondContact O-N 3.26Å; H691-N695 WeakPolarHBondContact O-CB 3.41Å; H691-N695 VanDerWaalsContact O-CG 3.23Å; H691-N695 PolarHBondContact O-N 3.14Å; H691-N695 PolarHBondContact O-ND2 3Å; H691-N695 VanDerWaalsContact O-ND2 3.13Å
692D83Confident76.6Confident73 Ų7375.8 Ų75.839%0.3939%0.386SS..Hα-helixtrans-67.5-37.8178.8-65.3-21000111.5Q688 D689 T696Q688-D692 PolarHBondContact NE2-OD1 3.46Å; Q688-D692 PolarHBondContact NE2-OD2 3.18Å; Q688-D692 VanDerWaalsContact O-CG 3.26Å; Q688-D692 PolarHBondContact O-N 3.36Å; D689-D692 PolarHBondContact O-N 3.48Å; D692-T696 WeakPolarHBondContact O-CB 3.27Å; D692-T696 PolarHBondContact O-N 3.24Å; D692-T696 PolarHBondContact O-OG1 3.27Å
693E80.7Confident75Confident108 Ų10877.8 Ų77.851%0.50540%0.403SS..Hα-helixtrans-60.3-49.7171.7-76.4166.7-174.400111.9D689 N695 T696 E697D689-E693 WeakPolarHBondContact O-CB 3.47Å; D689-E693 VanDerWaalsContact O-CG 3.28Å; D689-E693 WeakPolarHBondContact O-CG 3.19Å; D689-E693 PolarHBondContact O-N 3.45Å; E693-N695 VanDerWaalsContact C-N 3.35Å; E693-N695 PolarHBondContact O-N 3.5Å; E693-T696 PolarHBondContact O-N 2.77Å; E693-E697 PolarHBondContact O-N 3.06Å
694I77.8Confident72.8Confident80 Ų8078.1 Ų78.141%0.4142%0.415SS..Hα-helixtrans-63.5-40.6179.7-67.2165.7000111.4L690 H691 T696 E697 S698L690-I694 HydrophobicContact CG-CD1 4.22Å; L690-I694 WeakPolarHBondContact O-CD1 3.48Å; L690-I694 VanDerWaalsContact O-CG1 3.29Å; L690-I694 WeakPolarHBondContact O-CG1 3.08Å; L690-I694 PolarHBondContact O-N 2.62Å; L690-I694 VanDerWaalsContact O-N 3.14Å; H691-I694 PolarHBondContact O-N 3.26Å; I694-T696 VanDerWaalsContact C-N 3.32Å; I694-E697 PolarHBondContact O-N 3.12Å; I694-S698 WeakPolarHBondContact O-CB 3.26Å; I694-S698 PolarHBondContact O-N 2.95Å; I694-S698 PolarHBondContact O-OG 3.42Å
695N74.4Confident70.6Confident91 Ų9181.6 Ų81.649%0.48744%0.438SS..Hα-helixtrans-65.1-38.5177-73.9-30.8000111.1H691 E693 S698 I699H691-N695 WeakPolarHBondContact O-CB 3.41Å; H691-N695 VanDerWaalsContact O-CG 3.23Å; H691-N695 PolarHBondContact O-N 3.14Å; H691-N695 PolarHBondContact O-ND2 3Å; H691-N695 VanDerWaalsContact O-ND2 3.13Å; E693-N695 VanDerWaalsContact C-N 3.35Å; E693-N695 PolarHBondContact O-N 3.5Å; N695-S698 PolarHBondContact O-N 3.23Å; N695-I699 WeakPolarHBondContact O-CB 3.33Å; N695-I699 WeakPolarHBondContact O-CD1 3.41Å; N695-I699 WeakPolarHBondContact O-CG1 3.36Å; N695-I699 PolarHBondContact O-N 2.73Å
696T69.9Low68.3Low79 Ų7989 Ų8949%0.48548%0.478SS..Hα-helixtrans-67.5-43.6177.8-54.10000111.6D692 E693 I694 I699 L700D692-T696 WeakPolarHBondContact O-CB 3.27Å; D692-T696 PolarHBondContact O-N 3.24Å; D692-T696 PolarHBondContact O-OG1 3.27Å; E693-T696 PolarHBondContact O-N 2.77Å; I694-T696 VanDerWaalsContact C-N 3.32Å; T696-I699 PolarHBondContact O-N 3.5Å; T696-L700 HydrophobicContact CG2-CD1 4.18Å; T696-L700 WeakPolarHBondContact O-CG 3.46Å; T696-L700 PolarHBondContact O-N 2.96Å
697E62.1Low65.7Low134 Ų134100.2 Ų100.263%0.62654%0.535SS*.Hα-helixtrans-63.6-40.4173.8-76.9-169.716400112.2E693 I694 I699 L700 M701E693-E697 PolarHBondContact O-N 3.06Å; I694-E697 PolarHBondContact O-N 3.12Å; E697-I699 VanDerWaalsContact C-N 3.3Å; E697-I699 PolarHBondContact O-N 3.28Å; E697-L700 PolarHBondContact O-N 3.18Å; E697-M701 WeakPolarHBondContact O-CB 3.38Å; E697-M701 WeakPolarHBondContact O-CG 3.39Å; E697-M701 PolarHBondContact O-N 3.04Å
698S58.5Low64.6Low58 Ų58105.2 Ų105.241%0.40656%0.562SS.*Hα-helixtrans-63.7-37.6176.3-59.20000111.6I694 N695 L702I694-S698 WeakPolarHBondContact O-CB 3.26Å; I694-S698 PolarHBondContact O-N 2.95Å; I694-S698 PolarHBondContact O-OG 3.42Å; N695-S698 PolarHBondContact O-N 3.23Å; S698-L702 WeakPolarHBondContact O-CD1 3.19Å; S698-L702 WeakPolarHBondContact O-CG 3.47Å; S698-L702 PolarHBondContact O-N 3.17Å
699I58.1Low63.5Low115 Ų115107.3 Ų107.359%0.5958%0.576SS**Hα-helixtrans-68.6-41.8174.8-69.5163.8000110.9N695 T696 E697 L702 S703N695-I699 WeakPolarHBondContact O-CB 3.33Å; N695-I699 WeakPolarHBondContact O-CD1 3.41Å; N695-I699 WeakPolarHBondContact O-CG1 3.36Å; N695-I699 PolarHBondContact O-N 2.73Å; T696-I699 PolarHBondContact O-N 3.5Å; E697-I699 VanDerWaalsContact C-N 3.3Å; E697-I699 PolarHBondContact O-N 3.28Å; I699-L702 PolarHBondContact O-N 3.02Å; I699-S703 PolarHBondContact O-N 3.09Å; I699-S703 VanDerWaalsContact O-N 3.12Å; I699-S703 PolarHBondContact O-OG 2.96Å
700L57.7Low62.3Low105 Ų105108.3 Ų108.355%0.5558%0.581SS.*Hα-helixtrans-62.3-43.1176.4-80.2159.8000111.9T696 E697 L702 S703T696-L700 HydrophobicContact CG2-CD1 4.18Å; T696-L700 WeakPolarHBondContact O-CG 3.46Å; T696-L700 PolarHBondContact O-N 2.96Å; E697-L700 PolarHBondContact O-N 3.18Å; L700-L702 PolarHBondContact O-N 3.2Å; L700-S703 WeakPolarHBondContact CA-OG 3.17Å; L700-S703 PolarHBondContact O-N 2.92Å; L700-S703 PolarHBondContact O-OG 2.86Å
701M57.6Low61Low154 Ų154112.6 Ų112.676%0.75960%0.604SS**Hα-helixtrans-67.7-19.1176.4-68.4-82.4-100.700113.4E697E697-M701 WeakPolarHBondContact O-CB 3.38Å; E697-M701 WeakPolarHBondContact O-CG 3.39Å; E697-M701 PolarHBondContact O-N 3.04Å
702L53.7Low59.7Low143 Ų143117.1 Ų117.175%0.74963%0.63SS**Hα-helixtrans-92-10.2173.3-70.5168.8000112.8S698 I699 L700S698-L702 WeakPolarHBondContact O-CD1 3.19Å; S698-L702 WeakPolarHBondContact O-CG 3.47Å; S698-L702 PolarHBondContact O-N 3.17Å; I699-L702 PolarHBondContact O-N 3.02Å; L700-L702 PolarHBondContact O-N 3.2Å
703S55.9Low58.2Low67 Ų67120 Ų12047%0.46965%0.646SS.*  trans-94.3-3.7-179.762.40000114.8I699 L700 T705I699-S703 PolarHBondContact O-N 3.09Å; I699-S703 VanDerWaalsContact O-N 3.12Å; I699-S703 PolarHBondContact O-OG 2.96Å; L700-S703 WeakPolarHBondContact CA-OG 3.17Å; L700-S703 PolarHBondContact O-N 2.92Å; L700-S703 PolarHBondContact O-OG 2.86Å; S703-T705 PolarHBondContact O-N 2.85Å
704D43.8Very low56.6Low140 Ų140120.9 Ų120.975%0.74966%0.656SS**  trans-77.776.8167.9-73.7-13000109.6
705T44.6Very low54.9Low122 Ų122124 Ų12475%0.74868%0.675SS**  trans-100.1124.7154.944.60000108.2S703S703-T705 PolarHBondContact O-N 2.85Å
706D43Very low53.3Low161 Ų161126.8 Ų126.886%0.86169%0.691SS**  trans-39.9148.1176.6-57.5-60.4000114.7
707D34.9Very low51.8Low243 Ų243131.1 Ų131.1100%1.29971%0.71SS**  trans-47.30158.9-81.6-39000113.2

Retrieved 707 of 707 residues in 242.3 ms (Link to these results)

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