A0A087YD12_POEFO Loading...

Nicotinamide phosphoribosyltransferase

AlphaFold DB , UniProt , Accession A0A087YD12, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 493 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
1K35.7Very low60.2Low262 Ų262135.3 Ų135.3100%1.13965%0.653SS**  0102.60-77.1176.4174.6177.10106.2E3K1-E3 PolarHBondContact O-N 3.05Å
2M31.4Very low63.4Low196 Ų196124 Ų12497%0.96660%0.598SS**PPolyproline II helixtrans-70.1118.2174.6-79.6177.3174.600107.2
3E36.9Very low66Low178 Ų178118.9 Ų118.983%0.83258%0.576SS**PPolyproline II helixtrans-56.4137.6163.7-74.8178.6153.900108K1 R5K1-E3 PolarHBondContact O-N 3.05Å; E3-R5 PolarHBondContact O-N 3.32Å
4P44.7Very low68.3Low120 Ų120112.1 Ų112.178%0.77955%0.548SS*.PPolyproline II helixtrans-59.8129.6174.4-3.816.4000107.3E6P4-E6 PolarHBondContact O-N 3.5Å
5R42.4Very low70.3Confident245 Ų245105.6 Ų105.693%0.92552%0.518SS*.  trans-47.8114.4173-68-179.5-163.5173.23.9108.1E3 T7E3-R5 PolarHBondContact O-N 3.32Å; R5-T7 PolarHBondContact O-N 3.1Å
6E51.8Low72.1Confident141 Ų141103.3 Ų103.366%0.65951%0.508SS*.  trans-52.4130.2170.3-99178161.500107.8P4P4-E6 PolarHBondContact O-N 3.5Å
7T54.4Low73.7Confident103 Ų10399.8 Ų99.863%0.63250%0.497SS*.  trans-54.814317639.10000111.1R5 F9R5-T7 PolarHBondContact O-N 3.1Å; T7-F9 PolarHBondContact O-N 3.19Å
8D77.6Confident75.1Confident177 Ų177101.1 Ų101.195%0.94750%0.496SS*.SBendtrans-56.526175.7-70.3-36.6000115.7
9F93.8Very high76.3Confident53 Ų5396.1 Ų96.123%0.23247%0.471CS..  trans-85.4120.6-177.6-178.7-98.4000111.9T7 I11 A14 Y69 K80 I152T7-F9 PolarHBondContact O-N 3.19Å; F9-I11 HydrophobicContact CE1-CB 3.85Å; F9-I11 HydrophobicContact CE1-CG1 4.22Å; F9-I11 HydrophobicContact CZ-CB 4.48Å; F9-A14 HydrophobicContact CE1-CB 4.39Å; F9-A14 HydrophobicContact CE2-CB 3.58Å; F9-A14 HydrophobicContact CZ-CB 3.36Å; F9-Y69 AromaticContact CD1-CD1 3.83Å; F9-Y69 HydrophobicContact CD1-CD1 3.83Å; F9-Y69 AromaticContact CD2-CD1 3.83Å; F9-Y69 HydrophobicContact CD2-CD1 3.83Å; F9-Y69 AromaticContact CD2-CE1 3.9Å; F9-Y69 HydrophobicContact CD2-CE1 3.9Å; F9-Y69 AromaticContact CE1-CD1 3.62Å; F9-Y69 HydrophobicContact CE1-CD1 3.62Å; F9-Y69 HydrophobicContact CE1-CG 4.17Å; F9-Y69 AromaticContact CE2-CD1 3.61Å; F9-Y69 HydrophobicContact CE2-CD1 3.61Å; F9-Y69 AromaticContact CE2-CE1 3.82Å; F9-Y69 HydrophobicContact CE2-CE1 3.82Å; F9-Y69 AromaticContact CG-CD1 3.93Å; F9-Y69 HydrophobicContact CG-CD1 3.93Å; F9-Y69 HydrophobicContact CG-CE1 4.32Å; F9-Y69 AromaticContact CZ-CD1 3.5Å; F9-Y69 HydrophobicContact CZ-CD1 3.5Å; F9-Y69 VanDerWaalsContact CZ-CD1 3.5Å; F9-Y69 HydrophobicContact CZ-CE1 4.17Å; F9-Y69 HydrophobicContact CZ-CG 4.07Å; F9-K80 WeakPolarHBondContact O-CE 3.47Å; F9-K80 PolarHBondContact O-NZ 3.12Å; F9-I152 HydrophobicContact CZ-CD1 4.47Å
10N96.3Very high77.4Confident10 Ų1091.3 Ų91.35%0.05345%0.447CS..  trans-108.9110.2172.3-171.9-9.1000110.8L12 L13 A14 K80 E83N10-L12 PolarHBondContact O-N 3.43Å; N10-L12 WeakPolarHBondContact OD1-CB 3.49Å; N10-L12 PolarHBondContact OD1-N 3.47Å; N10-L13 HydrophobicContact CB-CB 4.41Å; N10-L13 HydrophobicContact CB-CD1 4.28Å; N10-L13 HydrophobicContact CB-CG 4.37Å; N10-L13 PolarHBondContact O-N 3.16Å; N10-A14 PolarHBondContact O-N 3.5Å; N10-K80 HydrophobicContact CB-CD 4.36Å; N10-K80 HydrophobicContact CB-CG 4.28Å; N10-K80 WeakPolarHBondContact ND2-CA 3.37Å; N10-K80 PolarHBondContact ND2-O 3.24Å; N10-K80 WeakPolarHBondContact OD1-CB 3.33Å; N10-E83 PolarHBondContact ND2-OE2 2.85Å
11I97Very high78.4Confident3 Ų388.4 Ų88.42%0.01544%0.435CS..G310 helixtrans-65-22.4-179.6-162.7175.7000112.8F9 L13 A14 L70 V75 W102 L113 W148F9-I11 HydrophobicContact CE1-CB 3.85Å; F9-I11 HydrophobicContact CE1-CG1 4.22Å; F9-I11 HydrophobicContact CZ-CB 4.48Å; I11-L13 PolarHBondContact O-N 3.36Å; I11-A14 PolarHBondContact O-N 3.19Å; I11-L70 HydrophobicContact CD1-CD2 3.57Å; I11-V75 HydrophobicContact CG2-CB 4.22Å; I11-V75 HydrophobicContact CG2-CG2 4.28Å; I11-W102 HydrophobicContact CG2-CH2 4.44Å; I11-L113 HydrophobicContact CD1-CD1 3.66Å; I11-W148 PolarHBondContact O-NE1 3.02Å
12L98.3Very high81.5Confident0 Ų077.4 Ų77.40%039%0.388CS..G310 helixtrans-72.2-13174.5-74.956.5000111.8N10 V76 I81 A84 Y88 F97 W102 W148N10-L12 PolarHBondContact O-N 3.43Å; N10-L12 WeakPolarHBondContact OD1-CB 3.49Å; N10-L12 PolarHBondContact OD1-N 3.47Å; L12-V76 HydrophobicContact CD1-CG1 4.38Å; L12-V76 HydrophobicContact CD1-CG2 4.22Å; L12-I81 HydrophobicContact CD2-CB 4.26Å; L12-I81 HydrophobicContact CD2-CG1 3.72Å; L12-A84 HydrophobicContact CB-CB 3.56Å; L12-A84 HydrophobicContact CD2-CB 4.01Å; L12-A84 HydrophobicContact CG-CB 4.4Å; L12-Y88 WeakPolarHBondContact O-CE2 3.32Å; L12-Y88 PolarHBondContact O-OH 2.99Å; L12-F97 HydrophobicContact CD2-CZ 3.84Å; L12-F97 HydrophobicContact CG-CZ 4.37Å; L12-W102 HydrophobicContact CD1-CD2 3.79Å; L12-W102 HydrophobicContact CD1-CE3 3.53Å; L12-W102 HydrophobicContact CD1-CH2 3.84Å; L12-W102 HydrophobicContact CD1-CZ2 4.09Å; L12-W102 HydrophobicContact CD1-CZ3 3.56Å; L12-W102 HydrophobicContact CD2-CB 4.27Å; L12-W102 HydrophobicContact CD2-CD2 3.98Å; L12-W102 HydrophobicContact CD2-CE3 4.37Å; L12-W102 HydrophobicContact CD2-CG 3.94Å; L12-W102 HydrophobicContact CG-CD2 3.61Å; L12-W102 HydrophobicContact CG-CE3 3.92Å; L12-W102 HydrophobicContact CG-CG 4.04Å; L12-W102 HydrophobicContact CG-CH2 4.3Å; L12-W102 HydrophobicContact CG-CZ2 4.02Å; L12-W102 HydrophobicContact CG-CZ3 4.25Å; L12-W148 WeakPolarHBondContact O-CZ2 3.49Å
13L98.3Very high84.7Confident58 Ų5870 Ų7030%0.30435%0.349SS..G310 helixtrans-108.90.9173.9-65178.4000112.5N10 I11 T15 E83 A84 V87 Y88N10-L13 HydrophobicContact CB-CB 4.41Å; N10-L13 HydrophobicContact CB-CD1 4.28Å; N10-L13 HydrophobicContact CB-CG 4.37Å; N10-L13 PolarHBondContact O-N 3.16Å; I11-L13 PolarHBondContact O-N 3.36Å; L13-T15 PolarHBondContact O-N 2.91Å; L13-E83 HydrophobicContact CD1-CG 4.2Å; L13-A84 HydrophobicContact CD2-CB 4.12Å; L13-A84 HydrophobicContact CG-CB 4.41Å; L13-V87 HydrophobicContact CD1-CG2 4.37Å; L13-V87 HydrophobicContact CD2-CB 3.97Å; L13-V87 HydrophobicContact CD2-CG1 3.79Å; L13-V87 HydrophobicContact CD2-CG2 4.37Å; L13-Y88 HydrophobicContact CD2-CE1 4.36Å; L13-Y88 HydrophobicContact CD2-CE2 4.05Å
14A97.8Very high87.6Confident23 Ų2367.8 Ų67.819%0.1934%0.337CS..SBendtrans-101.642.7-174.500000112.8F9 N10 I11F9-A14 HydrophobicContact CE1-CB 4.39Å; F9-A14 HydrophobicContact CE2-CB 3.58Å; F9-A14 HydrophobicContact CZ-CB 3.36Å; N10-A14 PolarHBondContact O-N 3.5Å; I11-A14 PolarHBondContact O-N 3.19Å
15T98.7Very high90.2Very high15 Ų1568 Ų689%0.09233%0.328CS..SBendtrans-136156.7177.7-173.70000109.8L13 K19 V20 W148L13-T15 PolarHBondContact O-N 2.91Å; T15-K19 VanDerWaalsContact OG1-CB 3.3Å; T15-K19 WeakPolarHBondContact OG1-CB 3.29Å; T15-K19 WeakPolarHBondContact OG1-CD 3.34Å; T15-V20 HydrophobicContact CG2-CG2 4.2Å; T15-W148 HydrophobicContact CG2-CD2 4.04Å; T15-W148 VanDerWaalsContact CG2-CE2 3.45Å; T15-W148 HydrophobicContact CG2-CE3 4.44Å; T15-W148 HydrophobicContact CG2-CH2 3.82Å; T15-W148 HydrophobicContact CG2-CZ2 3.32Å; T15-W148 HydrophobicContact CG2-CZ3 4.37Å; T15-W148 PolarHBondContact OG1-O 3.29Å
16D98.7Very high92.8Very high68 Ų6858.5 Ų58.536%0.36429%0.292SS..  trans-64.6138.6167.4-57.6-61.2000110.6Y18 K19 T151D16-Y18 VanDerWaalsContact C-N 3.32Å; D16-Y18 HydrophobicContact CB-CD1 3.41Å; D16-Y18 VanDerWaalsContact CB-CD1 3.41Å; D16-Y18 HydrophobicContact CB-CE1 3.16Å; D16-Y18 PolarHBondContact O-N 2.95Å; D16-Y18 VanDerWaalsContact O-N 3.15Å; D16-K19 HydrophobicContact CB-CD 4.21Å; D16-K19 VanDerWaalsContact O-CB 3.3Å; D16-K19 WeakPolarHBondContact O-CB 3.49Å; D16-K19 PolarHBondContact O-N 3.08Å; D16-T151 VanDerWaalsContact CG-OG1 3.28Å; D16-T151 PolarHBondContact N-OG1 3.44Å; D16-T151 WeakPolarHBondContact OD2-CG2 3.23Å; D16-T151 PolarHBondContact OD2-OG1 3.49Å
17S98.7Very high95.1Very high45 Ų4555 Ų5532%0.31528%0.281SS..G310 helixtrans-52.5-44.2-171.4-50.20000113.7K19 V20 H91 F92S17-K19 PolarHBondContact O-N 3.36Å; S17-V20 WeakPolarHBondContact O-CB 3.36Å; S17-V20 WeakPolarHBondContact O-CG2 3.18Å; S17-V20 PolarHBondContact O-N 3.13Å; S17-H91 WeakPolarHBondContact CB-NE2 3.38Å; S17-H91 PolarHBondContact OG-NE2 3.34Å; S17-F92 WeakPolarHBondContact O-CZ 3.46Å
18Y98.7Very high97.1Very high122 Ų12255.2 Ų55.248%0.47829%0.285SS..G310 helixtrans-55.3-31.1-179.772.5-59.8000113.6D16 V20 T21 H22D16-Y18 VanDerWaalsContact C-N 3.32Å; D16-Y18 HydrophobicContact CB-CD1 3.41Å; D16-Y18 VanDerWaalsContact CB-CD1 3.41Å; D16-Y18 HydrophobicContact CB-CE1 3.16Å; D16-Y18 PolarHBondContact O-N 2.95Å; D16-Y18 VanDerWaalsContact O-N 3.15Å; Y18-V20 PolarHBondContact O-N 3.02Å; Y18-T21 PolarHBondContact O-N 2.81Å; Y18-T21 VanDerWaalsContact O-N 3.1Å; Y18-T21 PolarHBondContact O-OG1 3.21Å; Y18-H22 AromaticContact CD2-CE1 3.46Å; Y18-H22 VanDerWaalsContact CD2-CE1 3.46Å; Y18-H22 WeakPolarHBondContact CD2-CE1 3.4Å; Y18-H22 AromaticContact CD2-NE2 3.09Å; Y18-H22 WeakPolarHBondContact CD2-NE2 3.49Å; Y18-H22 AromaticContact CE2-CE1 3.47Å; Y18-H22 VanDerWaalsContact CE2-CE1 3.47Å; Y18-H22 WeakPolarHBondContact CE2-CE1 3.48Å; Y18-H22 AromaticContact CE2-NE2 3.6Å; Y18-H22 AromaticContact CG-NE2 3.8Å; Y18-H22 PolarHBondContact O-CD2 2.92Å; Y18-H22 PolarHBondContact O-NE2 3.23Å
19K98.8Very high98.1Very high6 Ų652.3 Ų52.33%0.02627%0.269CS..G310 helixtrans-65.1-24.6177.8-65.2171.3172.1-61.60113.4T15 D16 S17 T21 H22 N147 E150 T151T15-K19 VanDerWaalsContact OG1-CB 3.3Å; T15-K19 WeakPolarHBondContact OG1-CB 3.29Å; T15-K19 WeakPolarHBondContact OG1-CD 3.34Å; D16-K19 HydrophobicContact CB-CD 4.21Å; D16-K19 VanDerWaalsContact O-CB 3.3Å; D16-K19 WeakPolarHBondContact O-CB 3.49Å; D16-K19 PolarHBondContact O-N 3.08Å; S17-K19 PolarHBondContact O-N 3.36Å; K19-T21 PolarHBondContact O-N 3.23Å; K19-T21 VanDerWaalsContact O-N 3.15Å; K19-H22 PolarHBondContact O-N 2.87Å; K19-H22 VanDerWaalsContact O-N 3.15Å; K19-N147 WeakPolarHBondContact CD-O 3.36Å; K19-N147 WeakPolarHBondContact CE-O 3.26Å; K19-N147 PolarHBondContact NZ-O 2.73Å; K19-E150 IonicContact NZ-OE2 3.99Å; K19-E150 PolarHBondContact NZ-OE2 3.02Å; K19-T151 WeakPolarHBondContact CD-OG1 3.4Å; K19-T151 VanDerWaalsContact CE-OG1 3.25Å; K19-T151 WeakPolarHBondContact CE-OG1 3.37Å
20V98.8Very high98.3Very high0 Ų050.2 Ų50.20%026%0.261CS..G310 helixtrans-55.8-31.8173.7179.90000111.5T15 S17 Y18 Y23 Y88 F92 V96 F97 W148T15-V20 HydrophobicContact CG2-CG2 4.2Å; S17-V20 WeakPolarHBondContact O-CB 3.36Å; S17-V20 WeakPolarHBondContact O-CG2 3.18Å; S17-V20 PolarHBondContact O-N 3.13Å; Y18-V20 PolarHBondContact O-N 3.02Å; V20-Y23 VanDerWaalsContact O-CD1 3.27Å; V20-Y23 WeakPolarHBondContact O-CD1 3.26Å; V20-Y23 VanDerWaalsContact O-CE1 3.28Å; V20-Y23 WeakPolarHBondContact O-CE1 3.06Å; V20-Y88 HydrophobicContact CG1-CD2 4.15Å; V20-Y88 HydrophobicContact CG1-CE2 4.38Å; V20-Y88 HydrophobicContact CG1-CG 4.25Å; V20-Y88 HydrophobicContact CG2-CD1 4.02Å; V20-Y88 HydrophobicContact CG2-CD2 4.24Å; V20-Y88 HydrophobicContact CG2-CE1 3.55Å; V20-Y88 HydrophobicContact CG2-CE2 3.76Å; V20-Y88 HydrophobicContact CG2-CG 4.36Å; V20-F92 HydrophobicContact CB-CE2 3.98Å; V20-F92 HydrophobicContact CB-CZ 4.18Å; V20-F92 HydrophobicContact CG1-CE2 4Å; V20-F92 HydrophobicContact CG2-CE2 4.18Å; V20-F92 HydrophobicContact CG2-CZ 4.46Å; V20-V96 HydrophobicContact CG1-CG2 4.3Å; V20-F97 HydrophobicContact CG1-CB 4.29Å; V20-F97 HydrophobicContact CG1-CD2 4.08Å; V20-W148 HydrophobicContact CB-CZ3 4.48Å; V20-W148 HydrophobicContact CG2-CH2 3.98Å; V20-W148 HydrophobicContact CG2-CZ3 4.32Å
21T98.7Very high98.4Very high31 Ų3151.5 Ų51.519%0.1927%0.271CS..G310 helixtrans-96.9-9-176.271.20000114Y18 K19 Y23 K24 Q25 V96Y18-T21 PolarHBondContact O-N 2.81Å; Y18-T21 VanDerWaalsContact O-N 3.1Å; Y18-T21 PolarHBondContact O-OG1 3.21Å; K19-T21 PolarHBondContact O-N 3.23Å; K19-T21 VanDerWaalsContact O-N 3.15Å; T21-Y23 VanDerWaalsContact C-N 3.27Å; T21-Y23 PolarHBondContact O-N 3.01Å; T21-K24 PolarHBondContact O-N 2.84Å; T21-Q25 PolarHBondContact OG1-NE2 3.38Å; T21-V96 HydrophobicContact CG2-CB 4.09Å; T21-V96 HydrophobicContact CG2-CG1 4.41Å; T21-V96 HydrophobicContact CG2-CG2 4.02Å
22H98.8Very high98.5Very high31 Ų3153.9 Ų53.914%0.14428%0.281CS..G310 helixtrans-65.3-26.7-170.1-74.5-177.5000114.1Y18 K19 K24 Q25 Y26Y18-H22 AromaticContact CD2-CE1 3.46Å; Y18-H22 VanDerWaalsContact CD2-CE1 3.46Å; Y18-H22 WeakPolarHBondContact CD2-CE1 3.4Å; Y18-H22 AromaticContact CD2-NE2 3.09Å; Y18-H22 WeakPolarHBondContact CD2-NE2 3.49Å; Y18-H22 AromaticContact CE2-CE1 3.47Å; Y18-H22 VanDerWaalsContact CE2-CE1 3.47Å; Y18-H22 WeakPolarHBondContact CE2-CE1 3.48Å; Y18-H22 AromaticContact CE2-NE2 3.6Å; Y18-H22 AromaticContact CG-NE2 3.8Å; Y18-H22 PolarHBondContact O-CD2 2.92Å; Y18-H22 PolarHBondContact O-NE2 3.23Å; K19-H22 PolarHBondContact O-N 2.87Å; K19-H22 VanDerWaalsContact O-N 3.15Å; H22-K24 PolarHBondContact O-N 2.98Å; H22-Q25 WeakPolarHBondContact O-CB 3.26Å; H22-Q25 PolarHBondContact O-N 2.9Å; H22-Y26 HydrophobicContact CB-CE2 4.19Å; H22-Y26 WeakPolarHBondContact O-CD2 3.38Å; H22-Y26 PolarHBondContact O-N 3.4Å
23Y98.8Very high98.5Very high40 Ų4053.9 Ų53.916%0.15728%0.281CS..G310 helixtrans-58.6-27.617577.7-77.5000112.6V20 T21 Q25 V96 N98 Y143V20-Y23 VanDerWaalsContact O-CD1 3.27Å; V20-Y23 WeakPolarHBondContact O-CD1 3.26Å; V20-Y23 VanDerWaalsContact O-CE1 3.28Å; V20-Y23 WeakPolarHBondContact O-CE1 3.06Å; T21-Y23 VanDerWaalsContact C-N 3.27Å; T21-Y23 PolarHBondContact O-N 3.01Å; Y23-Q25 VanDerWaalsContact C-N 3.35Å; Y23-V96 VanDerWaalsContact CE1-O 3.22Å; Y23-V96 WeakPolarHBondContact CE1-O 3.43Å; Y23-V96 PolarHBondContact OH-O 3.24Å; Y23-N98 HydrophobicContact CD1-CB 3.7Å; Y23-N98 HydrophobicContact CD2-CB 4.1Å; Y23-N98 HydrophobicContact CE1-CB 3.63Å; Y23-N98 HydrophobicContact CE2-CB 4.03Å; Y23-N98 HydrophobicContact CG-CB 3.92Å; Y23-Y143 PolarHBondContact O-OH 3.42Å
24K98.6Very high98.6Very high132 Ų13251.4 Ų51.457%0.57427%0.268SS*.G310 helixtrans-82.5-8.6174-69.4-178.6168.9165.50113.9T21 H22T21-K24 PolarHBondContact O-N 2.84Å; H22-K24 PolarHBondContact O-N 2.98Å
25Q98.6Very high98.6Very high125 Ų12550.3 Ų50.358%0.58426%0.259SS*.THydrogen-bonded Turntrans-106.4-26.9-170.9-58.2-179.420.400113.4T21 H22 Y23T21-Q25 PolarHBondContact OG1-NE2 3.38Å; H22-Q25 WeakPolarHBondContact O-CB 3.26Å; H22-Q25 PolarHBondContact O-N 2.9Å; Y23-Q25 VanDerWaalsContact C-N 3.35Å
26Y98.6Very high98.6Very high45 Ų4549.6 Ų49.618%0.17625%0.254CS..SBendtrans-59.1149.9173.9-77.1-73000110.6H22 V33 Y143 N147H22-Y26 HydrophobicContact CB-CE2 4.19Å; H22-Y26 WeakPolarHBondContact O-CD2 3.38Å; H22-Y26 PolarHBondContact O-N 3.4Å; Y26-V33 HydrophobicContact CD1-CG2 4.05Å; Y26-V33 HydrophobicContact CE1-CG1 4.3Å; Y26-V33 HydrophobicContact CE1-CG2 3.69Å; Y26-Y143 AromaticContact CD2-CD2 3.92Å; Y26-Y143 HydrophobicContact CD2-CD2 3.92Å; Y26-Y143 AromaticContact CD2-CE2 3.76Å; Y26-Y143 HydrophobicContact CD2-CE2 3.76Å; Y26-Y143 HydrophobicContact CG-CD2 4.09Å; Y26-Y143 AromaticContact CG-CE2 3.99Å; Y26-Y143 HydrophobicContact CG-CE2 3.99Å; Y26-N147 WeakPolarHBondContact OH-CB 3.25Å
27P98.4Very high98.6Very high67 Ų6746.4 Ų46.444%0.43524%0.237SC..PPolyproline II helixtrans-53.2139.7176.3-2634.9000111.2T30 T407P27-T30 WeakPolarHBondContact O-CB 3.35Å; P27-T30 PolarHBondContact O-N 2.92Å; P27-T30 PolarHBondContact O-OG1 2.78Å; P27-T407 HydrophobicContact CB-CG2 3.88Å
28P98Very high98.6Very high108 Ų10844.7 Ų44.770%0.70122%0.224SC*.THydrogen-bonded Turntrans-51.2147.9171.2-26.934.9000111.6T30 T407P28-T30 PolarHBondContact O-N 2.98Å; P28-T407 VanDerWaalsContact O-CG2 3.31Å; P28-T407 WeakPolarHBondContact O-CG2 3.47Å
29N97.6Very high98.6Very high116 Ų11639 Ų3962%0.6220%0.202SC*.THydrogen-bonded Turntrans60.526.6-177.5-47.2-40.6000114.6T407 N408N29-T407 WeakPolarHBondContact O-CA 3.31Å; N29-N408 VanDerWaalsContact CB-OD1 3.26Å; N29-N408 WeakPolarHBondContact CB-OD1 3.33Å; N29-N408 PolarHBondContact ND2-OD1 3.29Å; N29-N408 PolarHBondContact O-N 3.16Å
30T98.8Very high98.4Very high9 Ų939.4 Ų39.46%0.05520%0.203CC..EExtended strand (participates in β ladder)trans-74.4125.8167.1-63.40000109.6P27 P28 V33 Y143 V406 T407P27-T30 WeakPolarHBondContact O-CB 3.35Å; P27-T30 PolarHBondContact O-N 2.92Å; P27-T30 PolarHBondContact O-OG1 2.78Å; P28-T30 PolarHBondContact O-N 2.98Å; T30-V33 HydrophobicContact CG2-CG2 4.01Å; T30-Y143 HydrophobicContact CG2-CD2 4.06Å; T30-Y143 HydrophobicContact CG2-CG 4.18Å; T30-Y143 VanDerWaalsContact O-CD1 3.26Å; T30-Y143 WeakPolarHBondContact O-CD1 3.4Å; T30-V406 CarbonylContact C-O 3.58Å; T30-V406 WeakPolarHBondContact CA-O 3.37Å; T30-T407 PolarHBondContact OG1-OG1 3.37Å; T30-T407 VanDerWaalsContact OG1-OG1 3.09Å
31S98.4Very high97.9Very high38 Ų3846 Ų4627%0.26623%0.234SC..EExtended strand (participates in β ladder)trans-117.1-10-178.153.80000113.1P140 V406S31-P140 WeakPolarHBondContact O-CA 3.21Å; S31-V406 PolarHBondContact N-O 3.48Å; S31-V406 WeakPolarHBondContact OG-CG1 3.49Å; S31-V406 PolarHBondContact OG-O 2.76Å
32K98.7Very high96.9Very high52 Ų5249.4 Ų49.423%0.22625%0.246CC..EExtended strand (participates in β ladder)trans-150.5138.2173.8-174.4174-72.2-76.90110.2E136 S137 Y404 V405 V406K32-E136 IonicContact NZ-OE2 2.65Å; K32-E136 PolarHBondContact NZ-OE2 2.88Å; K32-S137 PolarHBondContact NZ-O 3.14Å; K32-Y404 HydrophobicContact CD-CE1 4.42Å; K32-V405 CarbonylContact O-C 3.52Å; K32-V405 VanDerWaalsContact O-CA 3.24Å; K32-V405 WeakPolarHBondContact O-CA 3.24Å; K32-V406 HydrophobicContact CB-CB 3.89Å; K32-V406 HydrophobicContact CB-CG2 3.85Å; K32-V406 HydrophobicContact CD-CG2 4.31Å; K32-V406 PolarHBondContact N-O 2.81Å; K32-V406 PolarHBondContact O-N 2.95Å
33V98.8Very high95.4Very high0 Ų057.1 Ų57.10%027%0.274CS..EExtended strand (participates in β ladder)trans-122.2126.8164.1176.40000106.8Y26 T30 E136 Y143 T146 C402 V405Y26-V33 HydrophobicContact CD1-CG2 4.05Å; Y26-V33 HydrophobicContact CE1-CG1 4.3Å; Y26-V33 HydrophobicContact CE1-CG2 3.69Å; T30-V33 HydrophobicContact CG2-CG2 4.01Å; V33-E136 WeakPolarHBondContact O-CA 3.3Å; V33-Y143 WeakPolarHBondContact CB-O 3.39Å; V33-Y143 HydrophobicContact CG2-CD2 4.44Å; V33-Y143 VanDerWaalsContact CG2-O 3.28Å; V33-Y143 WeakPolarHBondContact CG2-O 3.34Å; V33-T146 HydrophobicContact CB-CG2 4.44Å; V33-T146 HydrophobicContact CG1-CG2 4.02Å; V33-T146 WeakPolarHBondContact O-CG2 3.33Å; V33-T146 PolarHBondContact O-OG1 2.85Å; V33-C402 HydrophobicContact CG1-CB 4.5Å; V33-V405 HydrophobicContact CG2-CG1 4.35Å
34Y98.9Very high93.6Very high7 Ų760.2 Ų60.23%0.02730%0.297CS..EExtended strand (participates in β ladder)trans-120.3125.1177.9170.8-80000109.1T134 V135 E136 C402 S403 Y404 L431Y34-T134 HydrophobicContact CE1-CG2 4.47Å; Y34-T134 HydrophobicContact CE2-CG2 4.3Å; Y34-T134 WeakPolarHBondContact OH-CB 3.34Å; Y34-T134 WeakPolarHBondContact OH-CG2 2.93Å; Y34-V135 WeakPolarHBondContact CA-O 3.48Å; Y34-E136 HydrophobicContact CD2-CB 3.96Å; Y34-E136 HydrophobicContact CD2-CG 4.38Å; Y34-E136 WeakPolarHBondContact CD2-OE1 3.29Å; Y34-C402 PolarHBondContact O-SG 3.3Å; Y34-S403 WeakPolarHBondContact CD1-OG 3.37Å; Y34-S403 WeakPolarHBondContact CE1-OG 3.36Å; Y34-S403 PolarHBondContact O-N 3.43Å; Y34-Y404 WeakPolarHBondContact CB-O 3.49Å; Y34-Y404 PolarHBondContact N-O 2.88Å; Y34-Y404 PolarHBondContact O-N 2.93Å; Y34-L431 HydrophobicContact CE1-CG 4.28Å; Y34-L431 PolarHBondContact OH-N 3.28Å; Y34-L431 VanDerWaalsContact OH-N 3.12Å; Y34-L431 PolarHBondContact OH-O 3.5Å
35S98.9Very high91.8Very high0 Ų057.7 Ų57.70%029%0.29CS..EExtended strand (participates in β ladder)trans-129.2161.1-176.6-70.10000111.2T134 V135 N147 K401 C402S35-T134 CarbonylContact O-C 3.6Å; S35-T134 VanDerWaalsContact O-CA 3.27Å; S35-T134 WeakPolarHBondContact O-CA 3.33Å; S35-V135 PolarHBondContact N-O 2.9Å; S35-V135 PolarHBondContact O-N 3.19Å; S35-N147 PolarHBondContact OG-OD1 2.91Å; S35-K401 CarbonylContact C-O 3.45Å; S35-K401 WeakPolarHBondContact CA-O 3.49Å; S35-K401 VanDerWaalsContact CB-O 3.31Å; S35-K401 WeakPolarHBondContact CB-O 3.37Å; S35-C402 WeakPolarHBondContact OG-CA 3.5Å; S35-C402 PolarHBondContact OG-N 3.37Å
36Y98.9Very high89.9Confident0 Ų057.8 Ų57.80%030%0.302CS..EExtended strand (participates in β ladder)trans-140.5160.1-177.879.8-78.7000111.3E38 V131 F133 F400 K401 S403 K427 L431Y36-E38 HydrophobicContact CD2-CB 4.37Å; Y36-E38 HydrophobicContact CD2-CG 4.46Å; Y36-E38 HydrophobicContact CE2-CB 3.99Å; Y36-E38 HydrophobicContact CE2-CG 3.69Å; Y36-E38 WeakPolarHBondContact CE2-OE1 3.47Å; Y36-E38 VanDerWaalsContact CZ-OE1 3.26Å; Y36-E38 PolarHBondContact OH-OE1 2.94Å; Y36-V131 HydrophobicContact CD2-CB 4.49Å; Y36-V131 HydrophobicContact CD2-CG2 4.23Å; Y36-F133 CarbonylContact C-O 3.35Å; Y36-F133 WeakPolarHBondContact CA-O 3.28Å; Y36-F400 CarbonylContact O-C 3.53Å; Y36-F400 WeakPolarHBondContact O-CA 3.45Å; Y36-K401 HydrophobicContact CD1-CB 4.39Å; Y36-K401 WeakPolarHBondContact CD1-O 3.39Å; Y36-K401 HydrophobicContact CE1-CB 3.81Å; Y36-K401 PolarHBondContact N-O 2.92Å; Y36-K401 PolarHBondContact O-N 3.01Å; Y36-S403 WeakPolarHBondContact CD1-OG 3.36Å; Y36-K427 HydrophobicContact CE1-CB 4.04Å; Y36-K427 HydrophobicContact CE2-CB 4.25Å; Y36-K427 HydrophobicContact CE2-CD 3.89Å; Y36-K427 HydrophobicContact CE2-CG 4.05Å; Y36-K427 PolarHBondContact OH-N 3.17Å; Y36-L431 HydrophobicContact CD1-CD1 3.65Å; Y36-L431 HydrophobicContact CD2-CD1 3.52Å; Y36-L431 HydrophobicContact CE1-CD1 4.18Å; Y36-L431 HydrophobicContact CE2-CD1 4.05Å; Y36-L431 HydrophobicContact CG-CD1 3.31Å
37F98.9Very high87.8Confident0 Ų060.3 Ų60.30%033%0.326CS..EExtended strand (participates in β ladder)trans-118.4141.2172.7-177.4-83.9000111.4L132 F133 V154 I156 I160 C398 S399 F400F37-L132 HydrophobicContact CD1-CB 4.22Å; F37-L132 HydrophobicContact CD1-CD1 4.03Å; F37-L132 HydrophobicContact CE1-CD1 3.96Å; F37-L132 PolarHBondContact O-N 3.02Å; F37-F133 HydrophobicContact CB-CD1 3.57Å; F37-F133 HydrophobicContact CB-CD2 4.01Å; F37-F133 HydrophobicContact CB-CE1 3.17Å; F37-F133 HydrophobicContact CB-CE2 3.65Å; F37-F133 HydrophobicContact CB-CG 3.98Å; F37-F133 HydrophobicContact CB-CZ 3.22Å; F37-F133 AromaticContact CD1-CD1 3.97Å; F37-F133 HydrophobicContact CD1-CD1 3.97Å; F37-F133 AromaticContact CD1-CE1 3.48Å; F37-F133 HydrophobicContact CD1-CE1 3.48Å; F37-F133 VanDerWaalsContact CD1-CE1 3.48Å; F37-F133 HydrophobicContact CD1-CZ 4.25Å; F37-F133 AromaticContact CD2-CE1 3.72Å; F37-F133 HydrophobicContact CD2-CE1 3.72Å; F37-F133 AromaticContact CD2-CZ 3.67Å; F37-F133 HydrophobicContact CD2-CZ 3.67Å; F37-F133 HydrophobicContact CE1-CE1 4.2Å; F37-F133 HydrophobicContact CE2-CE1 4.4Å; F37-F133 AromaticContact CG-CD1 3.92Å; F37-F133 HydrophobicContact CG-CD1 3.92Å; F37-F133 AromaticContact CG-CE1 3.19Å; F37-F133 HydrophobicContact CG-CE1 3.19Å; F37-F133 HydrophobicContact CG-CE2 4.39Å; F37-F133 AromaticContact CG-CZ 3.49Å; F37-F133 HydrophobicContact CG-CZ 3.49Å; F37-F133 VanDerWaalsContact CG-CZ 3.49Å; F37-F133 PolarHBondContact N-O 3.04Å; F37-V154 HydrophobicContact CD2-CG2 4.35Å; F37-V154 HydrophobicContact CE2-CG2 4.4Å; F37-I156 HydrophobicContact CD2-CG2 4.41Å; F37-I156 HydrophobicContact CE1-CG2 4.14Å; F37-I156 HydrophobicContact CE2-CG2 3.78Å; F37-I156 HydrophobicContact CZ-CG2 3.6Å; F37-I160 HydrophobicContact CE1-CD1 3.76Å; F37-I160 HydrophobicContact CZ-CD1 4.14Å; F37-C398 HydrophobicContact CE1-CB 4.46Å; F37-C398 HydrophobicContact CE2-CB 4.13Å; F37-C398 HydrophobicContact CZ-CB 3.62Å; F37-S399 VanDerWaalsContact CA-O 3.29Å; F37-S399 WeakPolarHBondContact CA-O 3.42Å; F37-F400 HydrophobicContact CB-CD2 4.22Å; F37-F400 HydrophobicContact CD2-CB 4.35Å
38E98.8Very high85.7Confident9 Ų964.4 Ų64.44%0.04234%0.337CS..EExtended strand (participates in β ladder)trans-145.6156173.565178.1137.800111.2Y36 R40 N130 C398 S399Y36-E38 HydrophobicContact CD2-CB 4.37Å; Y36-E38 HydrophobicContact CD2-CG 4.46Å; Y36-E38 HydrophobicContact CE2-CB 3.99Å; Y36-E38 HydrophobicContact CE2-CG 3.69Å; Y36-E38 WeakPolarHBondContact CE2-OE1 3.47Å; Y36-E38 VanDerWaalsContact CZ-OE1 3.26Å; Y36-E38 PolarHBondContact OH-OE1 2.94Å; E38-R40 HydrophobicContact CG-CG 3.62Å; E38-R40 PolarHBondContact O-N 3.12Å; E38-R40 IonicContact OE1-NE 2.71Å; E38-N130 VanDerWaalsContact CB-O 3.22Å; E38-N130 WeakPolarHBondContact CB-O 3.22Å; E38-C398 CarbonylContact O-C 3.48Å; E38-C398 WeakPolarHBondContact O-CA 3.36Å; E38-S399 PolarHBondContact N-O 2.87Å; E38-S399 PolarHBondContact O-N 3.2Å
39C98.1Very high83.7Confident2 Ų264.9 Ų64.91%0.01434%0.343CS..EExtended strand (participates in β ladder)trans-89.290.9156.7-63.60000107.4T57 R128 G129 L396 C398C39-T57 HydrophobicContact CB-CG2 3.79Å; C39-R128 HydrophobicContact CB-CG 4.3Å; C39-R128 CarbonylContact O-C 3.5Å; C39-R128 VanDerWaalsContact O-CA 3.3Å; C39-R128 WeakPolarHBondContact O-CA 3.35Å; C39-R128 VanDerWaalsContact O-CB 3.3Å; C39-R128 WeakPolarHBondContact O-CB 3.44Å; C39-G129 PolarHBondContact O-N 3.26Å; C39-L396 CarbonylContact C-O 3.5Å; C39-L396 HydrophobicContact CB-CB 4.32Å; C39-C398 PolarHBondContact SG-SG 2.77Å
40R93.9Very high82Confident16 Ų1666.4 Ų66.46%0.0634%0.34CS..  trans-51.7148.7-170.8-68.5178171.1-132.4-10.3111.8E38 R128 N397 K424 R425E38-R40 HydrophobicContact CG-CG 3.62Å; E38-R40 PolarHBondContact O-N 3.12Å; E38-R40 IonicContact OE1-NE 2.71Å; R40-R128 PolarHBondContact O-NE 2.77Å; R40-R128 PolarHBondContact O-NH2 2.87Å; R40-N397 HydrophobicContact CB-CB 4.02Å; R40-N397 PolarHBondContact N-O 3.1Å; R40-K424 PolarHBondContact NH1-O 3.29Å; R40-R425 PolarHBondContact NH1-O 2.74Å
41E88.4Confident80.5Confident138 Ų13872.7 Ų72.765%0.64537%0.366SS*.  trans-69146.9166.1-163.2179.5-176.300110.6
42K78.8Confident79.6Confident103 Ų10371.8 Ų71.845%0.44836%0.359SS..  trans-123.9121.1170.4-174.3177.5-177.5177.80107.7T44K42-T44 PolarHBondContact O-N 2.9Å
43R67.4Low78.9Confident193 Ų19375.3 Ų75.373%0.72838%0.375SS*.  trans-57116.6171.2-68.9-177.3177-176.4-1.2107.7D45 N423R43-D45 PolarHBondContact O-N 3.36Å; R43-N423 WeakPolarHBondContact CB-OD1 3.37Å; R43-N423 WeakPolarHBondContact CG-OD1 3.23Å; R43-N423 PolarHBondContact N-OD1 3.5Å; R43-N423 VanDerWaalsContact N-OD1 3.07Å
44T59.7Low78.6Confident105 Ų10576.4 Ų76.464%0.64438%0.379SS*.  trans-65.8129.717945.70000108.8K42 P46K42-T44 PolarHBondContact O-N 2.9Å; T44-P46 VanDerWaalsContact O-CD 3.28Å; T44-P46 WeakPolarHBondContact O-CD 3.23Å
45D60.7Low78.3Confident78 Ų7881 Ų8142%0.41740%0.404SS..  trans-68.2113.7166.6179.8-9.5000107.6R43 S47 K48R43-D45 PolarHBondContact O-N 3.36Å; D45-S47 PolarHBondContact O-N 2.92Å; D45-S47 VanDerWaalsContact O-N 3.08Å; D45-S47 WeakPolarHBondContact OD1-CB 3.43Å; D45-S47 PolarHBondContact OD1-N 3.09Å; D45-S47 PolarHBondContact OD1-OG 2.81Å; D45-S47 PolarHBondContact OD2-OG 2.75Å; D45-S47 VanDerWaalsContact OD2-OG 3.11Å; D45-K48 HydrophobicContact CB-CB 4.47Å; D45-K48 PolarHBondContact O-N 3.43Å
46P58.8Low78.1Confident128 Ų12884 Ų8483%0.83142%0.417SS*.THydrogen-bonded Turntrans-62.3-17.6-177.37.9-5.5000112.8T44 K48T44-P46 VanDerWaalsContact O-CD 3.28Å; T44-P46 WeakPolarHBondContact O-CD 3.23Å; P46-K48 VanDerWaalsContact C-N 3.33Å
47S54.1Low78.1Confident98 Ų9884.1 Ų84.169%0.68542%0.417SS*.THydrogen-bonded Turntrans-78.7-12.5176740000114.1D45D45-S47 PolarHBondContact O-N 2.92Å; D45-S47 VanDerWaalsContact O-N 3.08Å; D45-S47 WeakPolarHBondContact OD1-CB 3.43Å; D45-S47 PolarHBondContact OD1-N 3.09Å; D45-S47 PolarHBondContact OD1-OG 2.81Å; D45-S47 PolarHBondContact OD2-OG 2.75Å; D45-S47 VanDerWaalsContact OD2-OG 3.11Å
48K54.5Low78.1Confident153 Ų15384.1 Ų84.167%0.66542%0.418SS*.SBendtrans-112.986.4179.5-66.8-176.5-177.8178.80110.2D45 P46 R50D45-K48 HydrophobicContact CB-CB 4.47Å; D45-K48 PolarHBondContact O-N 3.43Å; P46-K48 VanDerWaalsContact C-N 3.33Å; K48-R50 PolarHBondContact O-N 3.24Å; K48-R50 VanDerWaalsContact O-N 3.08Å
49S55.6Low78.1Confident118 Ų11883.8 Ų83.883%0.82542%0.416SS*.  trans-67.6107.3171.166.90000109.8
50R62.3Low78.2Confident147 Ų14783.8 Ų83.856%0.55542%0.416SS*.  trans-81.8130.7160.8-69.9-176.7176.3178.4-4.6108K48 V52K48-R50 PolarHBondContact O-N 3.24Å; K48-R50 VanDerWaalsContact O-N 3.08Å; R50-V52 WeakPolarHBondContact CB-O 3.23Å; R50-V52 PolarHBondContact O-N 3.02Å
51K68.2Low78.4Confident141 Ų14183 Ų8361%0.61341%0.413SS*.SBendtrans-59.7-34.6173.8-68.2-175.1-179.3-178.40111.3E364K51-E364 IonicContact NZ-OE1 2.71Å; K51-E364 PolarHBondContact NZ-OE1 3.09Å
52V78.9Confident78.9Confident20 Ų2076.6 Ų76.612%0.12138%0.383CS..SBendtrans-119.8131.6176.7-173.70000111.2R50 E168 I172 I359R50-V52 WeakPolarHBondContact CB-O 3.23Å; R50-V52 PolarHBondContact O-N 3.02Å; V52-E168 HydrophobicContact CG1-CB 4.26Å; V52-I172 HydrophobicContact CG2-CD1 4.11Å; V52-I359 HydrophobicContact CB-CD1 4.18Å; V52-I359 HydrophobicContact CG1-CD1 3.73Å; V52-I359 HydrophobicContact CG2-CD1 4.12Å; V52-I359 HydrophobicContact CG2-CG1 4.05Å
53K83.9Confident79.8Confident125 Ų12572 Ų7254%0.54336%0.364SS..  trans-104.5141175.7-65.4-178.7-178.4175.30110.2
54Y92.6Very high81.3Confident23 Ų2363.4 Ų63.49%0.0933%0.331CS..  trans-103.873.4175.8-65.7-75.8000109.2R128 T164 N165 E168 L395 L396Y54-R128 WeakPolarHBondContact O-CD 3.48Å; Y54-T164 HydrophobicContact CD1-CG2 3.9Å; Y54-T164 HydrophobicContact CE1-CG2 4.5Å; Y54-N165 HydrophobicContact CE1-CB 4.4Å; Y54-N165 PolarHBondContact OH-OD1 3.32Å; Y54-E168 HydrophobicContact CD1-CG 3.79Å; Y54-E168 HydrophobicContact CE1-CB 4.24Å; Y54-E168 HydrophobicContact CE1-CG 3.79Å; Y54-L395 HydrophobicContact CD2-CD1 4.15Å; Y54-L395 HydrophobicContact CD2-CG 4.39Å; Y54-L395 HydrophobicContact CE2-CD1 3.83Å; Y54-L395 HydrophobicContact CE2-CD2 4.19Å; Y54-L395 HydrophobicContact CE2-CG 4.17Å; Y54-L396 HydrophobicContact CD1-CD2 4.12Å; Y54-L396 HydrophobicContact CD2-CD2 4.4Å; Y54-L396 HydrophobicContact CG-CD2 3.77Å
55D92.5Very high83.1Confident103 Ų10358.7 Ų58.755%0.55130%0.302SS*.  trans-81.9-27.7-174.5-61-34.8000112.2P127 R128D55-P127 WeakPolarHBondContact O-CA 3.45Å; D55-R128 PolarHBondContact O-N 3.27Å
56K96Very high84.9Confident65 Ų6555.2 Ų55.228%0.28328%0.283SS..EExtended strand (participates in β ladder)trans-124154.7175.9-57.7176.8-175.4169.30110.2V125 I126 P127 T164K56-V125 HydrophobicContact CB-CG1 3.74Å; K56-V125 HydrophobicContact CD-CG1 4.05Å; K56-V125 HydrophobicContact CG-CG1 4.47Å; K56-I126 CarbonylContact C-O 3.59Å; K56-I126 WeakPolarHBondContact CA-O 3.37Å; K56-P127 HydrophobicContact CG-CB 4.48Å; K56-P127 HydrophobicContact CG-CG 4.3Å; K56-T164 WeakPolarHBondContact O-CG2 3.34Å
57T98.4Very high86.7Confident1 Ų151.1 Ų51.11%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-126.5143.3179.560.60000110.9C39 V125 I126 R128 T164 L396C39-T57 HydrophobicContact CB-CG2 3.79Å; T57-V125 WeakPolarHBondContact O-CA 3.4Å; T57-I126 PolarHBondContact N-O 3.36Å; T57-I126 PolarHBondContact O-N 3.23Å; T57-I126 PolarHBondContact OG1-O 2.93Å; T57-R128 HydrophobicContact CG2-CG 4.01Å; T57-T164 WeakPolarHBondContact CA-OG1 3.3Å; T57-T164 HydrophobicContact CG2-CG2 4.5Å; T57-L396 HydrophobicContact CG2-CD1 3.87Å; T57-L396 HydrophobicContact CG2-CD2 4.23Å; T57-L396 HydrophobicContact CG2-CG 4.46Å
58V98.9Very high88.6Confident1 Ų149 Ų491%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-86.7115.2171.9-175.20000108.6Y60 V125 A163 T164 R167 V214 A481V58-Y60 PolarHBondContact O-N 3.34Å; V58-V125 HydrophobicContact CG2-CG2 4.42Å; V58-A163 HydrophobicContact CB-CB 3.98Å; V58-A163 HydrophobicContact CG1-CB 4.04Å; V58-T164 PolarHBondContact N-OG1 2.96Å; V58-R167 HydrophobicContact CG2-CB 4.11Å; V58-R167 HydrophobicContact CG2-CG 4.38Å; V58-V214 HydrophobicContact CG1-CG1 4.31Å; V58-A481 HydrophobicContact CG1-CB 4.07Å
59F98.9Very high90.6Very high1 Ų142.5 Ų42.50%0.00420%0.203CC..  trans-77.9112.3175.7-177.8-110.6000110.5L62 A119 V120 E122 G123 S124 L132 F133 I156 I160F59-L62 HydrophobicContact CE1-CB 4.34Å; F59-L62 HydrophobicContact CE1-CD2 4.48Å; F59-L62 HydrophobicContact CZ-CB 3.81Å; F59-L62 HydrophobicContact CZ-CD2 3.83Å; F59-L62 HydrophobicContact CZ-CG 4.44Å; F59-A119 HydrophobicContact CE1-CB 4Å; F59-A119 HydrophobicContact CZ-CB 4.04Å; F59-V120 HydrophobicContact CB-CG1 3.83Å; F59-V120 HydrophobicContact CD1-CG1 3.42Å; F59-V120 VanDerWaalsContact CD1-CG1 3.42Å; F59-V120 VanDerWaalsContact CD1-O 3.27Å; F59-V120 WeakPolarHBondContact CD1-O 3.16Å; F59-V120 HydrophobicContact CD2-CG1 4.32Å; F59-V120 HydrophobicContact CE1-CG1 4.02Å; F59-V120 WeakPolarHBondContact CE1-O 3.05Å; F59-V120 HydrophobicContact CG-CG1 3.58Å; F59-E122 HydrophobicContact CD1-CG 4.1Å; F59-E122 HydrophobicContact CE1-CG 4.02Å; F59-E122 CarbonylContact O-C 3.58Å; F59-E122 WeakPolarHBondContact O-CA 3.25Å; F59-G123 PolarHBondContact O-N 2.99Å; F59-S124 PolarHBondContact N-O 3.11Å; F59-L132 HydrophobicContact CD2-CB 3.88Å; F59-L132 HydrophobicContact CD2-CD1 4.11Å; F59-L132 HydrophobicContact CD2-CG 4.46Å; F59-L132 HydrophobicContact CE2-CB 4.02Å; F59-F133 AromaticContact CE2-CD1 3.83Å; F59-F133 HydrophobicContact CE2-CD1 3.83Å; F59-F133 HydrophobicContact CE2-CE1 4.45Å; F59-F133 HydrophobicContact CZ-CD1 4.11Å; F59-I156 HydrophobicContact CD2-CD1 4.41Å; F59-I156 HydrophobicContact CE2-CD1 3.59Å; F59-I156 HydrophobicContact CZ-CD1 3.97Å; F59-I160 HydrophobicContact CD2-CD1 3.89Å; F59-I160 HydrophobicContact CD2-CG1 4.41Å; F59-I160 HydrophobicContact CE2-CD1 4.27Å
60Y98.9Very high92.4Very high2 Ų237 Ų371%0.00816%0.164CC..  trans-154144.5-178.2172.2-107.4000111V58 E122 P159 S210 A211 V214 Y232 F474 V477V58-Y60 PolarHBondContact O-N 3.34Å; Y60-E122 WeakPolarHBondContact CA-OE2 3.22Å; Y60-E122 WeakPolarHBondContact CD2-OE2 3.48Å; Y60-P159 HydrophobicContact CD1-CB 3.8Å; Y60-P159 HydrophobicContact CE1-CB 4.17Å; Y60-P159 WeakPolarHBondContact O-CB 3.31Å; Y60-P159 WeakPolarHBondContact O-CG 3.43Å; Y60-S210 WeakPolarHBondContact OH-CB 3.45Å; Y60-S210 PolarHBondContact OH-OG 3.45Å; Y60-A211 HydrophobicContact CD1-CB 3.71Å; Y60-A211 VanDerWaalsContact CE1-CA 3.4Å; Y60-A211 HydrophobicContact CE1-CB 3.68Å; Y60-V214 HydrophobicContact CD1-CG2 4.11Å; Y60-V214 HydrophobicContact CD2-CG2 3.99Å; Y60-V214 HydrophobicContact CE1-CG2 4.27Å; Y60-V214 HydrophobicContact CE2-CG2 4.11Å; Y60-V214 HydrophobicContact CG-CG2 3.99Å; Y60-Y232 HydrophobicContact CD2-CE1 4.4Å; Y60-Y232 HydrophobicContact CE2-CD1 4.45Å; Y60-Y232 AromaticContact CE2-CE1 3.8Å; Y60-Y232 HydrophobicContact CE2-CE1 3.8Å; Y60-Y232 AromaticContact CE2-CE2 3.93Å; Y60-Y232 HydrophobicContact CE2-CE2 3.93Å; Y60-Y232 AromaticContact CE2-CZ 3.51Å; Y60-Y232 AromaticContact CZ-CZ 3.99Å; Y60-Y232 WeakPolarHBondContact OH-CE2 3.46Å; Y60-F474 HydrophobicContact CE2-CD2 4.28Å; Y60-F474 AromaticContact CE2-CE2 3.91Å; Y60-F474 HydrophobicContact CE2-CE2 3.91Å; Y60-F474 AromaticContact CZ-CE2 3.95Å; Y60-V477 HydrophobicContact CD2-CG1 3.7Å; Y60-V477 HydrophobicContact CE2-CG1 4.15Å
61G98.8Very high93.2Very high1 Ų133.7 Ų33.71%0.0115%0.154CC..  trans107.1-3.6170.600000116Y64 E122 Y232G61-Y64 WeakPolarHBondContact O-CB 3.34Å; G61-Y64 PolarHBondContact O-N 2.82Å; G61-E122 PolarHBondContact N-OE2 3.08Å; G61-Y232 VanDerWaalsContact CA-OH 3.3Å; G61-Y232 WeakPolarHBondContact CA-OH 3.36Å
62L98.8Very high92.8Very high2 Ų229 Ų291%0.0114%0.141CC..Hα-helixtrans-65.9-45.8-179.9-177.256.1000110.2F59 Y64 I65 L66 I117 A119 E122 F133 L153 I156 V462F59-L62 HydrophobicContact CE1-CB 4.34Å; F59-L62 HydrophobicContact CE1-CD2 4.48Å; F59-L62 HydrophobicContact CZ-CB 3.81Å; F59-L62 HydrophobicContact CZ-CD2 3.83Å; F59-L62 HydrophobicContact CZ-CG 4.44Å; L62-Y64 PolarHBondContact O-N 3.14Å; L62-I65 WeakPolarHBondContact O-CA 3.48Å; L62-I65 WeakPolarHBondContact O-CB 3.33Å; L62-I65 PolarHBondContact O-N 2.79Å; L62-L66 HydrophobicContact CD1-CD2 4.19Å; L62-L66 HydrophobicContact CD1-CG 4.2Å; L62-L66 HydrophobicContact CD2-CD1 4.46Å; L62-L66 HydrophobicContact CG-CD1 4.03Å; L62-L66 HydrophobicContact CG-CD2 4.43Å; L62-L66 HydrophobicContact CG-CG 4.01Å; L62-L66 WeakPolarHBondContact O-CG 3.05Å; L62-L66 PolarHBondContact O-N 2.89Å; L62-I117 HydrophobicContact CD2-CG2 4.18Å; L62-A119 HydrophobicContact CD2-CB 3.59Å; L62-E122 WeakPolarHBondContact CA-OE1 3.4Å; L62-E122 PolarHBondContact N-OE1 3.41Å; L62-F133 HydrophobicContact CD2-CB 4.29Å; L62-F133 HydrophobicContact CD2-CG 4.38Å; L62-L153 HydrophobicContact CD1-CD2 3.8Å; L62-I156 HydrophobicContact CB-CD1 3.49Å; L62-I156 VanDerWaalsContact CB-CD1 3.49Å; L62-I156 HydrophobicContact CD1-CD1 4.2Å; L62-I156 HydrophobicContact CG-CD1 4.36Å; L62-V462 HydrophobicContact CD2-CG2 4.07Å
63Q98.6Very high92.3Very high8 Ų829.7 Ų29.74%0.03715%0.152CC..Hα-helixtrans-55.9-39.2-179.7-178.9165.9-60.600111.7I65 L66 H67 E122 Y231 Y232 Y472Q63-I65 PolarHBondContact O-N 3.04Å; Q63-L66 PolarHBondContact O-N 2.7Å; Q63-H67 PolarHBondContact O-CD2 2.92Å; Q63-H67 VanDerWaalsContact O-CD2 3.25Å; Q63-H67 PolarHBondContact O-N 2.68Å; Q63-E122 VanDerWaalsContact CB-OE1 3.26Å; Q63-E122 WeakPolarHBondContact CB-OE1 3.49Å; Q63-E122 PolarHBondContact N-OE1 3.01Å; Q63-Y231 PolarHBondContact NE2-O 3.17Å; Q63-Y232 HydrophobicContact CB-CE1 3.8Å; Q63-Y232 HydrophobicContact CG-CE1 4.16Å; Q63-Y232 VanDerWaalsContact NE2-CD1 3.31Å; Q63-Y472 PolarHBondContact NE2-O 3.38Å
64Y98.5Very high92.3Very high12 Ų1227.3 Ų27.35%0.04714%0.142CC..Hα-helixtrans-54.7-53.1171.3174.2-96.3000111.8G61 L62 L66 H67 K68 Y69 E203 I207 V227 Y231 Y232G61-Y64 WeakPolarHBondContact O-CB 3.34Å; G61-Y64 PolarHBondContact O-N 2.82Å; L62-Y64 PolarHBondContact O-N 3.14Å; Y64-L66 VanDerWaalsContact C-N 3.34Å; Y64-L66 PolarHBondContact O-N 2.81Å; Y64-H67 PolarHBondContact O-N 3.24Å; Y64-K68 HydrophobicContact CE1-CD 4Å; Y64-K68 HydrophobicContact CE2-CD 4.08Å; Y64-K68 VanDerWaalsContact CZ-CD 3.48Å; Y64-K68 VanDerWaalsContact O-CB 3.24Å; Y64-K68 WeakPolarHBondContact O-CB 3.41Å; Y64-K68 PolarHBondContact O-N 2.81Å; Y64-K68 WeakPolarHBondContact OH-CD 3.36Å; Y64-K68 PolarHBondContact OH-NZ 2.91Å; Y64-K68 VanDerWaalsContact OH-NZ 3.09Å; Y64-Y69 HydrophobicContact CE1-CE2 4.08Å; Y64-E203 PolarHBondContact OH-OE1 2.88Å; Y64-I207 HydrophobicContact CD1-CD1 4.15Å; Y64-I207 HydrophobicContact CD1-CG1 4.21Å; Y64-I207 HydrophobicContact CE1-CD1 3.53Å; Y64-I207 HydrophobicContact CE1-CG1 3.82Å; Y64-I207 HydrophobicContact CE2-CG1 4.35Å; Y64-V227 HydrophobicContact CD2-CG1 3.91Å; Y64-V227 HydrophobicContact CE2-CG1 4.15Å; Y64-V227 HydrophobicContact CE2-CG2 4.44Å; Y64-Y231 AromaticContact CD2-CD2 3.45Å; Y64-Y231 HydrophobicContact CD2-CD2 3.45Å; Y64-Y231 VanDerWaalsContact CD2-CD2 3.45Å; Y64-Y231 AromaticContact CD2-CE2 3.59Å; Y64-Y231 HydrophobicContact CD2-CE2 3.59Å; Y64-Y231 AromaticContact CD2-CG 3.94Å; Y64-Y231 HydrophobicContact CD2-CG 3.94Å; Y64-Y231 AromaticContact CE2-CD2 3.73Å; Y64-Y231 HydrophobicContact CE2-CD2 3.73Å; Y64-Y231 AromaticContact CE2-CE2 3.36Å; Y64-Y231 HydrophobicContact CE2-CE2 3.36Å; Y64-Y231 AromaticContact CE2-CZ 3.93Å; Y64-Y232 PolarHBondContact N-OH 3.15Å
65I98.2Very high92.3Very high6 Ų626.4 Ų26.43%0.03114%0.139CC..Hα-helixtrans-62.5-43.6-178.8-62.6170.4000110.3L62 Q63 Y69 I152 L153 I156L62-I65 WeakPolarHBondContact O-CA 3.48Å; L62-I65 WeakPolarHBondContact O-CB 3.33Å; L62-I65 PolarHBondContact O-N 2.79Å; Q63-I65 PolarHBondContact O-N 3.04Å; I65-Y69 HydrophobicContact CB-CD2 4.44Å; I65-Y69 HydrophobicContact CG2-CD2 4.08Å; I65-Y69 PolarHBondContact O-N 2.83Å; I65-I152 HydrophobicContact CG2-CG1 4.15Å; I65-L153 HydrophobicContact CG2-CD2 4.08Å; I65-I156 HydrophobicContact CD1-CB 3.81Å; I65-I156 HydrophobicContact CD1-CG1 4.39Å
66L97.7Very high92.5Very high4 Ų421.5 Ų21.52%0.02111%0.113CC..Iπ-helixtrans-59.9-51.7178.7-63.4-177000111.3L62 Q63 Y64 L70 K71 I117 V462 F463 I468L62-L66 HydrophobicContact CD1-CD2 4.19Å; L62-L66 HydrophobicContact CD1-CG 4.2Å; L62-L66 HydrophobicContact CD2-CD1 4.46Å; L62-L66 HydrophobicContact CG-CD1 4.03Å; L62-L66 HydrophobicContact CG-CD2 4.43Å; L62-L66 HydrophobicContact CG-CG 4.01Å; L62-L66 WeakPolarHBondContact O-CG 3.05Å; L62-L66 PolarHBondContact O-N 2.89Å; Q63-L66 PolarHBondContact O-N 2.7Å; Y64-L66 VanDerWaalsContact C-N 3.34Å; Y64-L66 PolarHBondContact O-N 2.81Å; L66-L70 HydrophobicContact CD2-CD1 3.76Å; L66-L70 HydrophobicContact CD2-CG 4.48Å; L66-L70 CarbonylContact O-C 3.5Å; L66-L70 PolarHBondContact O-N 2.97Å; L66-K71 VanDerWaalsContact O-CB 3.22Å; L66-K71 WeakPolarHBondContact O-CB 3.41Å; L66-K71 PolarHBondContact O-N 3.48Å; L66-I117 HydrophobicContact CD2-CD1 3.71Å; L66-V462 HydrophobicContact CD1-CB 4.16Å; L66-V462 HydrophobicContact CD1-CG2 3.83Å; L66-F463 HydrophobicContact CD1-CB 4.15Å; L66-F463 HydrophobicContact CD2-CB 4.11Å; L66-F463 HydrophobicContact CD2-CD2 4.31Å; L66-F463 HydrophobicContact CD2-CG 4.35Å; L66-I468 HydrophobicContact CB-CD1 3.79Å; L66-I468 HydrophobicContact CB-CG1 4.06Å
67H95.9Very high92.6Very high43 Ų4319.8 Ų19.820%0.19911%0.107CC..Iπ-helixtrans-66.9-42.9-179.2-83.6-86.7000112.3Q63 Y64 K71 Y231 I468 N471Q63-H67 PolarHBondContact O-CD2 2.92Å; Q63-H67 VanDerWaalsContact O-CD2 3.25Å; Q63-H67 PolarHBondContact O-N 2.68Å; Y64-H67 PolarHBondContact O-N 3.24Å; H67-K71 PolarHBondContact CE1-NZ 2.55Å; H67-Y231 HydrophobicContact CB-CD1 3.58Å; H67-Y231 HydrophobicContact CB-CE1 3.92Å; H67-I468 HydrophobicContact CB-CD1 4.15Å; H67-I468 WeakPolarHBondContact CD2-CD1 3.44Å; H67-I468 WeakPolarHBondContact NE2-CD1 3.4Å; H67-N471 PolarHBondContact CE1-OD1 3.35Å; H67-N471 PolarHBondContact NE2-OD1 3.27Å
68K95.5Very high92.5Very high53 Ų5323 Ų2323%0.2313%0.128CC..Iπ-helixtrans-75.9-41.2-172.1-171.6169.7-174.8173.70113Y64 E203 Y231Y64-K68 HydrophobicContact CE1-CD 4Å; Y64-K68 HydrophobicContact CE2-CD 4.08Å; Y64-K68 VanDerWaalsContact CZ-CD 3.48Å; Y64-K68 VanDerWaalsContact O-CB 3.24Å; Y64-K68 WeakPolarHBondContact O-CB 3.41Å; Y64-K68 PolarHBondContact O-N 2.81Å; Y64-K68 WeakPolarHBondContact OH-CD 3.36Å; Y64-K68 PolarHBondContact OH-NZ 2.91Å; Y64-K68 VanDerWaalsContact OH-NZ 3.09Å; K68-E203 WeakPolarHBondContact CE-OE1 3.43Å; K68-E203 IonicContact NZ-OE1 3.29Å; K68-E203 PolarHBondContact NZ-OE1 2.98Å; K68-E203 IonicContact NZ-OE2 3.74Å; K68-Y231 HydrophobicContact CB-CE1 4.19Å
69Y95.7Very high92.4Very high17 Ų1729.1 Ų29.17%0.06716%0.157CC..Iπ-helixtrans-117.3-29-167.3-55.3-67000114.5F9 Y64 I65 I152 E203F9-Y69 AromaticContact CD1-CD1 3.83Å; F9-Y69 HydrophobicContact CD1-CD1 3.83Å; F9-Y69 AromaticContact CD2-CD1 3.83Å; F9-Y69 HydrophobicContact CD2-CD1 3.83Å; F9-Y69 AromaticContact CD2-CE1 3.9Å; F9-Y69 HydrophobicContact CD2-CE1 3.9Å; F9-Y69 AromaticContact CE1-CD1 3.62Å; F9-Y69 HydrophobicContact CE1-CD1 3.62Å; F9-Y69 HydrophobicContact CE1-CG 4.17Å; F9-Y69 AromaticContact CE2-CD1 3.61Å; F9-Y69 HydrophobicContact CE2-CD1 3.61Å; F9-Y69 AromaticContact CE2-CE1 3.82Å; F9-Y69 HydrophobicContact CE2-CE1 3.82Å; F9-Y69 AromaticContact CG-CD1 3.93Å; F9-Y69 HydrophobicContact CG-CD1 3.93Å; F9-Y69 HydrophobicContact CG-CE1 4.32Å; F9-Y69 AromaticContact CZ-CD1 3.5Å; F9-Y69 HydrophobicContact CZ-CD1 3.5Å; F9-Y69 VanDerWaalsContact CZ-CD1 3.5Å; F9-Y69 HydrophobicContact CZ-CE1 4.17Å; F9-Y69 HydrophobicContact CZ-CG 4.07Å; Y64-Y69 HydrophobicContact CE1-CE2 4.08Å; I65-Y69 HydrophobicContact CB-CD2 4.44Å; I65-Y69 HydrophobicContact CG2-CD2 4.08Å; I65-Y69 PolarHBondContact O-N 2.83Å; Y69-I152 HydrophobicContact CD2-CD1 3.93Å; Y69-I152 HydrophobicContact CD2-CG1 4.02Å; Y69-I152 HydrophobicContact CE2-CD1 4.02Å; Y69-I152 HydrophobicContact CG-CD1 4.17Å; Y69-I152 HydrophobicContact CG-CG1 4.23Å; Y69-E203 PolarHBondContact OH-OE1 3.47Å; Y69-E203 PolarHBondContact OH-OE2 3.09Å
70L93.1Very high92.4Very high1 Ų131.1 Ų31.11%0.00517%0.165CC..Iπ-helixtrans-103.8-31.7-174.2-54.8-165.2000113.9I11 L66 L113 I115 I117 V149 I152 L153 F463I11-L70 HydrophobicContact CD1-CD2 3.57Å; L66-L70 HydrophobicContact CD2-CD1 3.76Å; L66-L70 HydrophobicContact CD2-CG 4.48Å; L66-L70 CarbonylContact O-C 3.5Å; L66-L70 PolarHBondContact O-N 2.97Å; L70-L113 HydrophobicContact CB-CD1 4.46Å; L70-L113 HydrophobicContact CD2-CD1 3.96Å; L70-I115 HydrophobicContact CD1-CD1 4.46Å; L70-I117 HydrophobicContact CD1-CD1 3.96Å; L70-V149 HydrophobicContact CD2-CG1 4.47Å; L70-I152 HydrophobicContact CD2-CG2 4.37Å; L70-L153 HydrophobicContact CD1-CD2 4.1Å; L70-F463 HydrophobicContact CB-CE2 3.82Å; L70-F463 HydrophobicContact CB-CZ 4.01Å
71K79.6Confident92.4Very high79 Ų7931.3 Ų31.334%0.34317%0.167SC..SBendtrans-93.4-20.3-178.5175.6179.9167.7-167.70113.3L66 H67 G73 F463 I468L66-K71 VanDerWaalsContact O-CB 3.22Å; L66-K71 WeakPolarHBondContact O-CB 3.41Å; L66-K71 PolarHBondContact O-N 3.48Å; H67-K71 PolarHBondContact CE1-NZ 2.55Å; K71-G73 PolarHBondContact O-N 2.82Å; K71-F463 HydrophobicContact CB-CE2 4.43Å; K71-I468 HydrophobicContact CB-CD1 3.99Å; K71-I468 HydrophobicContact CB-CG1 4.09Å; K71-I468 HydrophobicContact CD-CB 3.82Å; K71-I468 HydrophobicContact CD-CD1 3.28Å; K71-I468 HydrophobicContact CD-CG1 3.49Å; K71-I468 VanDerWaalsContact CD-CG1 3.49Å; K71-I468 HydrophobicContact CG-CD1 4.22Å; K71-I468 HydrophobicContact CG-CG1 4.26Å
72A60.1Low92.3Very high43 Ų4335.3 Ų35.336%0.35519%0.185SC..SBendtrans-61.482.4-172.400000111.6V75A72-V75 WeakPolarHBondContact O-CG1 3.35Å
73G66.9Low92.3Very high34 Ų3439.5 Ų39.535%0.35121%0.205SC..SBendtrans52-141.5-179.900000114.7K71 V75K71-G73 PolarHBondContact O-N 2.82Å; G73-V75 VanDerWaalsContact C-N 3.33Å; G73-V75 PolarHBondContact O-N 2.98Å
74K83.7Confident92.3Very high74 Ų7439.1 Ų39.132%0.32220%0.203SC..  trans-73.784.9175.5176.7166.4-175.7165.70108.8V76 T77 L106 N110K74-V76 WeakPolarHBondContact CE-O 3.46Å; K74-V76 WeakPolarHBondContact CG-O 3.35Å; K74-V76 PolarHBondContact O-N 2.99Å; K74-T77 HydrophobicContact CG-CG2 4.24Å; K74-L106 VanDerWaalsContact NZ-CD1 3.35Å; K74-N110 WeakPolarHBondContact CE-OD1 3.33Å; K74-N110 VanDerWaalsContact CG-O 3.29Å; K74-N110 WeakPolarHBondContact CG-O 3.47Å; K74-N110 PolarHBondContact NZ-OD1 2.73Å
75V94Very high92.3Very high5 Ų541.6 Ų41.63%0.0321%0.214CC..  trans-66.6-19.6-175.6-61.70000113.2I11 A72 G73 K80 G111 L113I11-V75 HydrophobicContact CG2-CB 4.22Å; I11-V75 HydrophobicContact CG2-CG2 4.28Å; A72-V75 WeakPolarHBondContact O-CG1 3.35Å; G73-V75 VanDerWaalsContact C-N 3.33Å; G73-V75 PolarHBondContact O-N 2.98Å; V75-K80 VanDerWaalsContact O-CD 3.29Å; V75-K80 WeakPolarHBondContact O-CD 3.45Å; V75-K80 PolarHBondContact O-NZ 3.48Å; V75-G111 WeakPolarHBondContact CG2-O 3.37Å; V75-G111 PolarHBondContact N-O 2.56Å; V75-L113 HydrophobicContact CG2-CD1 4.22Å; V75-L113 HydrophobicContact CG2-CD2 3.69Å; V75-L113 HydrophobicContact CG2-CG 3.67Å
76V96.8Very high92.4Very high0 Ų046.6 Ų46.60%024%0.237CC..  trans-109.9124.2173.3-169.80000110.2L12 K74 I81 W102 I105 L106 G111 L113L12-V76 HydrophobicContact CD1-CG1 4.38Å; L12-V76 HydrophobicContact CD1-CG2 4.22Å; K74-V76 WeakPolarHBondContact CE-O 3.46Å; K74-V76 WeakPolarHBondContact CG-O 3.35Å; K74-V76 PolarHBondContact O-N 2.99Å; V76-I81 HydrophobicContact CG1-CD1 3.76Å; V76-I81 HydrophobicContact CG1-CG1 3.82Å; V76-W102 HydrophobicContact CG1-CE3 4.09Å; V76-W102 HydrophobicContact CG2-CE3 3.6Å; V76-W102 HydrophobicContact CG2-CZ3 3.55Å; V76-I105 HydrophobicContact CG2-CG2 4.03Å; V76-L106 HydrophobicContact CG1-CB 4.09Å; V76-L106 WeakPolarHBondContact O-CD1 3.36Å; V76-G111 PolarHBondContact N-O 2.78Å; V76-L113 HydrophobicContact CG2-CD2 4.38Å
77T96.7Very high92.4Very high28 Ų2849.5 Ų49.517%0.17226%0.255CS..  trans-129.6161.8174.778.20000110.4K74 E79 K80 I81K74-T77 HydrophobicContact CG-CG2 4.24Å; T77-E79 WeakPolarHBondContact CB-OE2 3.18Å; T77-E79 PolarHBondContact O-N 2.66Å; T77-E79 PolarHBondContact OG1-N 3.37Å; T77-E79 PolarHBondContact OG1-OE2 2.96Å; T77-K80 HydrophobicContact CG2-CD 4.47Å; T77-K80 PolarHBondContact O-N 3.46Å; T77-K80 PolarHBondContact OG1-N 2.9Å; T77-I81 WeakPolarHBondContact O-CG1 2.98Å; T77-I81 PolarHBondContact O-N 2.98Å
78P97.9Very high92.5Very high68 Ų6847.9 Ų47.944%0.44225%0.247SC..Hα-helixtrans-52.5-42.1173.7-24.733.2000112.8I81 Q82 L106P78-I81 PolarHBondContact O-N 3.07Å; P78-Q82 WeakPolarHBondContact O-CB 3.14Å; P78-Q82 PolarHBondContact O-N 3.19Å; P78-L106 HydrophobicContact CG-CD2 3.94Å
79E96.9Very high92.7Very high130 Ų13051.9 Ų51.961%0.60726%0.261SS*.Hα-helixtrans-65.7-43.7-178.6-55.470.6-149.400110.8T77 I81 Q82 E83T77-E79 WeakPolarHBondContact CB-OE2 3.18Å; T77-E79 PolarHBondContact O-N 2.66Å; T77-E79 PolarHBondContact OG1-N 3.37Å; T77-E79 PolarHBondContact OG1-OE2 2.96Å; E79-I81 VanDerWaalsContact C-N 3.33Å; E79-I81 PolarHBondContact O-N 3.15Å; E79-Q82 PolarHBondContact O-N 3.12Å; E79-E83 WeakPolarHBondContact O-CB 3.24Å; E79-E83 PolarHBondContact O-N 3.28Å
80K97.3Very high92.8Very high43 Ų4357.2 Ų57.219%0.18729%0.286CS..Hα-helixtrans-64.8-35.8176.8-74-175.1-175.7-1730112.8F9 N10 V75 T77 A84F9-K80 WeakPolarHBondContact O-CE 3.47Å; F9-K80 PolarHBondContact O-NZ 3.12Å; N10-K80 HydrophobicContact CB-CD 4.36Å; N10-K80 HydrophobicContact CB-CG 4.28Å; N10-K80 WeakPolarHBondContact ND2-CA 3.37Å; N10-K80 PolarHBondContact ND2-O 3.24Å; N10-K80 WeakPolarHBondContact OD1-CB 3.33Å; V75-K80 VanDerWaalsContact O-CD 3.29Å; V75-K80 WeakPolarHBondContact O-CD 3.45Å; V75-K80 PolarHBondContact O-NZ 3.48Å; T77-K80 HydrophobicContact CG2-CD 4.47Å; T77-K80 PolarHBondContact O-N 3.46Å; T77-K80 PolarHBondContact OG1-N 2.9Å; K80-A84 VanDerWaalsContact O-CB 3.27Å; K80-A84 WeakPolarHBondContact O-CB 3.48Å; K80-A84 PolarHBondContact O-N 3.12Å; K80-A84 VanDerWaalsContact O-N 3.07Å
81I98.7Very high93.1Very high6 Ų662.4 Ų62.43%0.03131%0.31CS..Hα-helixtrans-66.6-47.5175-67.6170.6000110L12 V76 T77 P78 E79 A84 K85 F97 E99 W102 L106L12-I81 HydrophobicContact CD2-CB 4.26Å; L12-I81 HydrophobicContact CD2-CG1 3.72Å; V76-I81 HydrophobicContact CG1-CD1 3.76Å; V76-I81 HydrophobicContact CG1-CG1 3.82Å; T77-I81 WeakPolarHBondContact O-CG1 2.98Å; T77-I81 PolarHBondContact O-N 2.98Å; P78-I81 PolarHBondContact O-N 3.07Å; E79-I81 VanDerWaalsContact C-N 3.33Å; E79-I81 PolarHBondContact O-N 3.15Å; I81-A84 PolarHBondContact O-N 3.04Å; I81-K85 WeakPolarHBondContact O-CB 3.39Å; I81-K85 PolarHBondContact O-N 3.14Å; I81-F97 HydrophobicContact CG2-CE1 4.24Å; I81-E99 HydrophobicContact CG2-CG 3.98Å; I81-W102 HydrophobicContact CD1-CB 4.21Å; I81-W102 HydrophobicContact CG1-CB 4.09Å; I81-L106 HydrophobicContact CD1-CB 4.19Å; I81-L106 HydrophobicContact CD1-CD2 3.77Å
82Q98.6Very high94Very high85 Ų8561.6 Ų61.640%0.39731%0.307SS..Hα-helixtrans-63.4-46.8-179.2-175.558.335.400111.5P78 E79 A84 K85 E86P78-Q82 WeakPolarHBondContact O-CB 3.14Å; P78-Q82 PolarHBondContact O-N 3.19Å; E79-Q82 PolarHBondContact O-N 3.12Å; Q82-A84 PolarHBondContact O-N 3.08Å; Q82-K85 WeakPolarHBondContact O-CB 2.93Å; Q82-K85 PolarHBondContact O-N 3.3Å; Q82-E86 PolarHBondContact NE2-OE1 2.62Å; Q82-E86 WeakPolarHBondContact O-CG 3.16Å; Q82-E86 PolarHBondContact O-N 2.96Å
83E98.4Very high95.8Very high90 Ų9066.5 Ų66.542%0.42132%0.323SS..Hα-helixtrans-57.4-49.2174.9-177.7-168.9-161.500111.3N10 L13 E79 K85 E86 V87N10-E83 PolarHBondContact ND2-OE2 2.85Å; L13-E83 HydrophobicContact CD1-CG 4.2Å; E79-E83 WeakPolarHBondContact O-CB 3.24Å; E79-E83 PolarHBondContact O-N 3.28Å; E83-K85 VanDerWaalsContact C-N 3.31Å; E83-K85 PolarHBondContact O-N 2.86Å; E83-E86 PolarHBondContact O-N 2.66Å; E83-V87 HydrophobicContact CG-CG2 4.46Å; E83-V87 WeakPolarHBondContact O-CB 3.21Å; E83-V87 WeakPolarHBondContact O-CG2 3.35Å; E83-V87 PolarHBondContact O-N 3.45Å
84A98.6Very high97.3Very high0 Ų069.2 Ų69.20%033%0.329CS..Hα-helixtrans-61.9-40.3179.700000112.2L12 L13 K80 I81 Q82 Y88 F97L12-A84 HydrophobicContact CB-CB 3.56Å; L12-A84 HydrophobicContact CD2-CB 4.01Å; L12-A84 HydrophobicContact CG-CB 4.4Å; L13-A84 HydrophobicContact CD2-CB 4.12Å; L13-A84 HydrophobicContact CG-CB 4.41Å; K80-A84 VanDerWaalsContact O-CB 3.27Å; K80-A84 WeakPolarHBondContact O-CB 3.48Å; K80-A84 PolarHBondContact O-N 3.12Å; K80-A84 VanDerWaalsContact O-N 3.07Å; I81-A84 PolarHBondContact O-N 3.04Å; Q82-A84 PolarHBondContact O-N 3.08Å; A84-Y88 HydrophobicContact CB-CD2 4.24Å; A84-Y88 HydrophobicContact CB-CE2 4.17Å; A84-Y88 VanDerWaalsContact O-CB 3.29Å; A84-Y88 WeakPolarHBondContact O-CB 3.35Å; A84-Y88 WeakPolarHBondContact O-CD2 3.28Å; A84-Y88 PolarHBondContact O-N 2.88Å; A84-F97 HydrophobicContact CB-CE1 4.33Å; A84-F97 HydrophobicContact CB-CE2 4.15Å; A84-F97 HydrophobicContact CB-CZ 3.89Å
85K98.8Very high98Very high64 Ų6470.2 Ų70.228%0.27834%0.338SS..Hα-helixtrans-60.8-47175.8-179179.7-179.3171.90111.7I81 Q82 E83 Y88 R89 F97 E99I81-K85 WeakPolarHBondContact O-CB 3.39Å; I81-K85 PolarHBondContact O-N 3.14Å; Q82-K85 WeakPolarHBondContact O-CB 2.93Å; Q82-K85 PolarHBondContact O-N 3.3Å; E83-K85 VanDerWaalsContact C-N 3.31Å; E83-K85 PolarHBondContact O-N 2.86Å; K85-Y88 PolarHBondContact O-N 2.75Å; K85-R89 VanDerWaalsContact O-CB 3.25Å; K85-R89 WeakPolarHBondContact O-CB 3.49Å; K85-R89 PolarHBondContact O-N 3.11Å; K85-F97 HydrophobicContact CB-CD1 3.89Å; K85-F97 HydrophobicContact CB-CE1 4.23Å; K85-F97 HydrophobicContact CG-CD1 4.41Å; K85-E99 VanDerWaalsContact CE-OE2 3.28Å; K85-E99 WeakPolarHBondContact CE-OE2 3.41Å; K85-E99 IonicContact NZ-OE1 3.75Å; K85-E99 PolarHBondContact NZ-OE1 2.85Å; K85-E99 IonicContact NZ-OE2 2.81Å; K85-E99 PolarHBondContact NZ-OE2 3.02Å
86E98.6Very high98.2Very high111 Ų11171 Ų7152%0.51934%0.343SS..Hα-helixtrans-63.2-49.3178.7-72.5171.6-171.100111.6Q82 E83 Y88 R89 E90Q82-E86 PolarHBondContact NE2-OE1 2.62Å; Q82-E86 WeakPolarHBondContact O-CG 3.16Å; Q82-E86 PolarHBondContact O-N 2.96Å; E83-E86 PolarHBondContact O-N 2.66Å; E86-Y88 VanDerWaalsContact C-N 3.35Å; E86-Y88 PolarHBondContact O-N 2.71Å; E86-R89 PolarHBondContact O-N 3.27Å; E86-E90 PolarHBondContact O-N 3.28Å
87V98.7Very high98.3Very high66 Ų6671.8 Ų71.840%0.435%0.346SS..Hα-helixtrans-58.7-47177.5169.90000110.9L13 E83 E90 H91L13-V87 HydrophobicContact CD1-CG2 4.37Å; L13-V87 HydrophobicContact CD2-CB 3.97Å; L13-V87 HydrophobicContact CD2-CG1 3.79Å; L13-V87 HydrophobicContact CD2-CG2 4.37Å; E83-V87 HydrophobicContact CG-CG2 4.46Å; E83-V87 WeakPolarHBondContact O-CB 3.21Å; E83-V87 WeakPolarHBondContact O-CG2 3.35Å; E83-V87 PolarHBondContact O-N 3.45Å; V87-E90 PolarHBondContact O-N 3.03Å; V87-H91 VanDerWaalsContact O-CB 3.23Å; V87-H91 WeakPolarHBondContact O-CB 3.5Å; V87-H91 PolarHBondContact O-N 2.54Å
88Y98.8Very high98.4Very high9 Ų971.2 Ų71.24%0.03534%0.342CS..Hα-helixtrans-72.4-33.2-177.7-71.3-45.1000113.3L12 L13 V20 A84 K85 E86 E90 H91 F92 F97 W148L12-Y88 WeakPolarHBondContact O-CE2 3.32Å; L12-Y88 PolarHBondContact O-OH 2.99Å; L13-Y88 HydrophobicContact CD2-CE1 4.36Å; L13-Y88 HydrophobicContact CD2-CE2 4.05Å; V20-Y88 HydrophobicContact CG1-CD2 4.15Å; V20-Y88 HydrophobicContact CG1-CE2 4.38Å; V20-Y88 HydrophobicContact CG1-CG 4.25Å; V20-Y88 HydrophobicContact CG2-CD1 4.02Å; V20-Y88 HydrophobicContact CG2-CD2 4.24Å; V20-Y88 HydrophobicContact CG2-CE1 3.55Å; V20-Y88 HydrophobicContact CG2-CE2 3.76Å; V20-Y88 HydrophobicContact CG2-CG 4.36Å; A84-Y88 HydrophobicContact CB-CD2 4.24Å; A84-Y88 HydrophobicContact CB-CE2 4.17Å; A84-Y88 VanDerWaalsContact O-CB 3.29Å; A84-Y88 WeakPolarHBondContact O-CB 3.35Å; A84-Y88 WeakPolarHBondContact O-CD2 3.28Å; A84-Y88 PolarHBondContact O-N 2.88Å; K85-Y88 PolarHBondContact O-N 2.75Å; E86-Y88 VanDerWaalsContact C-N 3.35Å; E86-Y88 PolarHBondContact O-N 2.71Å; Y88-E90 VanDerWaalsContact C-N 3.32Å; Y88-E90 PolarHBondContact O-N 2.91Å; Y88-H91 PolarHBondContact O-N 3.31Å; Y88-F92 HydrophobicContact CD1-CD2 4.17Å; Y88-F92 AromaticContact CD1-CE2 3.7Å; Y88-F92 HydrophobicContact CD1-CE2 3.7Å; Y88-F92 HydrophobicContact CE1-CE2 4.4Å; Y88-F92 HydrophobicContact CG-CD2 4.47Å; Y88-F92 HydrophobicContact CG-CE2 4.24Å; Y88-F92 WeakPolarHBondContact O-CB 3.17Å; Y88-F92 VanDerWaalsContact O-CD2 3.3Å; Y88-F92 WeakPolarHBondContact O-CD2 3.33Å; Y88-F92 PolarHBondContact O-N 3.22Å; Y88-F97 HydrophobicContact CD2-CB 4.22Å; Y88-F97 AromaticContact CD2-CD2 3.43Å; Y88-F97 HydrophobicContact CD2-CD2 3.43Å; Y88-F97 VanDerWaalsContact CD2-CD2 3.43Å; Y88-F97 AromaticContact CD2-CE2 4Å; Y88-F97 HydrophobicContact CD2-CE2 4Å; Y88-F97 AromaticContact CD2-CG 3.96Å; Y88-F97 HydrophobicContact CD2-CG 3.96Å; Y88-F97 AromaticContact CE2-CD2 3.84Å; Y88-F97 HydrophobicContact CE2-CD2 3.84Å; Y88-F97 HydrophobicContact CE2-CE2 4.03Å; Y88-W148 HydrophobicContact CE2-CH2 4.38Å
89R98.7Very high98.4Very high136 Ų13671.1 Ų71.151%0.51334%0.336SS..Hα-helixtrans-58-47.1173.2-174.1175-161.1-162.5-1.1111.1K85 E86 Q93 D94 D95K85-R89 VanDerWaalsContact O-CB 3.25Å; K85-R89 WeakPolarHBondContact O-CB 3.49Å; K85-R89 PolarHBondContact O-N 3.11Å; E86-R89 PolarHBondContact O-N 3.27Å; R89-Q93 WeakPolarHBondContact O-CA 3.35Å; R89-Q93 PolarHBondContact O-N 2.71Å; R89-D94 PolarHBondContact O-N 2.84Å; R89-D95 VanDerWaalsContact CD-OD1 3.29Å; R89-D95 WeakPolarHBondContact CD-OD1 3.28Å; R89-D95 WeakPolarHBondContact CG-OD1 3.4Å; R89-D95 IonicContact CZ-OD1 3.19Å; R89-D95 IonicContact NE-OD1 3.41Å; R89-D95 PolarHBondContact NE-OD1 3.39Å; R89-D95 IonicContact NE-OD2 3.78Å
90E98.5Very high98.5Very high129 Ų12973.6 Ų73.660%0.60334%0.344SS*.Hα-helixtrans-70.9-41176.3-66.4-55.7145.300112.3E86 V87 Y88 F92 Q93E86-E90 PolarHBondContact O-N 3.28Å; V87-E90 PolarHBondContact O-N 3.03Å; Y88-E90 VanDerWaalsContact C-N 3.32Å; Y88-E90 PolarHBondContact O-N 2.91Å; E90-F92 PolarHBondContact O-N 3.06Å; E90-Q93 PolarHBondContact O-NE2 2.92Å; E90-Q93 PolarHBondContact OE2-NE2 3.07Å
91H98.6Very high98.6Very high110 Ų11072 Ų7251%0.50934%0.34SS..Hα-helixtrans-64.3-38.7-178.4-176.352.4000113S17 V87 Y88S17-H91 WeakPolarHBondContact CB-NE2 3.38Å; S17-H91 PolarHBondContact OG-NE2 3.34Å; V87-H91 VanDerWaalsContact O-CB 3.23Å; V87-H91 WeakPolarHBondContact O-CB 3.5Å; V87-H91 PolarHBondContact O-N 2.54Å; Y88-H91 PolarHBondContact O-N 3.31Å
92F98.5Very high98.6Very high63 Ų6371.7 Ų71.728%0.27634%0.339SS..Hα-helixtrans-96.2-15-179.6-71.2-72000114S17 V20 Y88 E90 D94 V96S17-F92 WeakPolarHBondContact O-CZ 3.46Å; V20-F92 HydrophobicContact CB-CE2 3.98Å; V20-F92 HydrophobicContact CB-CZ 4.18Å; V20-F92 HydrophobicContact CG1-CE2 4Å; V20-F92 HydrophobicContact CG2-CE2 4.18Å; V20-F92 HydrophobicContact CG2-CZ 4.46Å; Y88-F92 HydrophobicContact CD1-CD2 4.17Å; Y88-F92 AromaticContact CD1-CE2 3.7Å; Y88-F92 HydrophobicContact CD1-CE2 3.7Å; Y88-F92 HydrophobicContact CE1-CE2 4.4Å; Y88-F92 HydrophobicContact CG-CD2 4.47Å; Y88-F92 HydrophobicContact CG-CE2 4.24Å; Y88-F92 WeakPolarHBondContact O-CB 3.17Å; Y88-F92 VanDerWaalsContact O-CD2 3.3Å; Y88-F92 WeakPolarHBondContact O-CD2 3.33Å; Y88-F92 PolarHBondContact O-N 3.22Å; E90-F92 PolarHBondContact O-N 3.06Å; F92-D94 HydrophobicContact CB-CB 4.46Å; F92-D94 PolarHBondContact O-N 2.89Å; F92-V96 HydrophobicContact CB-CG2 3.94Å; F92-V96 HydrophobicContact CD1-CG2 4.23Å; F92-V96 HydrophobicContact CD2-CG2 3.43Å; F92-V96 VanDerWaalsContact CD2-CG2 3.43Å; F92-V96 HydrophobicContact CE2-CG2 3.94Å; F92-V96 HydrophobicContact CG-CG2 3.6Å
93Q98.3Very high98.6Very high146 Ų14669.5 Ų69.568%0.68233%0.331SS*.THydrogen-bonded Turntrans53.931.4-167.4-58.7-71.2-65.200111.7R89 E90R89-Q93 WeakPolarHBondContact O-CA 3.35Å; R89-Q93 PolarHBondContact O-N 2.71Å; E90-Q93 PolarHBondContact O-NE2 2.92Å; E90-Q93 PolarHBondContact OE2-NE2 3.07Å
94D98.1Very high98.6Very high90 Ų9068.1 Ų68.148%0.48132%0.323SS..SBendtrans-158.7154.3-178.3-168.7-96.6000111R89 F92 V96R89-D94 PolarHBondContact O-N 2.84Å; F92-D94 HydrophobicContact CB-CB 4.46Å; F92-D94 PolarHBondContact O-N 2.89Å; D94-V96 HydrophobicContact CB-CG1 4.11Å; D94-V96 PolarHBondContact O-N 2.93Å; D94-V96 WeakPolarHBondContact OD1-CG1 3.21Å; D94-V96 PolarHBondContact OD1-N 2.81Å
95D97.6Very high98.6Very high96 Ų9668.1 Ų68.151%0.51332%0.323SS..  trans-86.453.7-179.8-65.9-36.8000111.8R89R89-D95 VanDerWaalsContact CD-OD1 3.29Å; R89-D95 WeakPolarHBondContact CD-OD1 3.28Å; R89-D95 WeakPolarHBondContact CG-OD1 3.4Å; R89-D95 IonicContact CZ-OD1 3.19Å; R89-D95 IonicContact NE-OD1 3.41Å; R89-D95 PolarHBondContact NE-OD1 3.39Å; R89-D95 IonicContact NE-OD2 3.78Å
96V98.3Very high98.6Very high21 Ų2166.1 Ų66.113%0.12732%0.315CS..  trans-78.6-19.6-176.4-66.60000114.7V20 T21 Y23 F92 D94V20-V96 HydrophobicContact CG1-CG2 4.3Å; T21-V96 HydrophobicContact CG2-CB 4.09Å; T21-V96 HydrophobicContact CG2-CG1 4.41Å; T21-V96 HydrophobicContact CG2-CG2 4.02Å; Y23-V96 VanDerWaalsContact CE1-O 3.22Å; Y23-V96 WeakPolarHBondContact CE1-O 3.43Å; Y23-V96 PolarHBondContact OH-O 3.24Å; F92-V96 HydrophobicContact CB-CG2 3.94Å; F92-V96 HydrophobicContact CD1-CG2 4.23Å; F92-V96 HydrophobicContact CD2-CG2 3.43Å; F92-V96 VanDerWaalsContact CD2-CG2 3.43Å; F92-V96 HydrophobicContact CE2-CG2 3.94Å; F92-V96 HydrophobicContact CG-CG2 3.6Å; D94-V96 HydrophobicContact CB-CG1 4.11Å; D94-V96 PolarHBondContact O-N 2.93Å; D94-V96 WeakPolarHBondContact OD1-CG1 3.21Å; D94-V96 PolarHBondContact OD1-N 2.81Å
97F98.8Very high98.5Very high16 Ų1668.2 Ų68.27%0.0732%0.324CS..SBendtrans-61.5136-172.3174.9-115.8000112.9L12 V20 I81 A84 K85 Y88 E99 W102 W148L12-F97 HydrophobicContact CD2-CZ 3.84Å; L12-F97 HydrophobicContact CG-CZ 4.37Å; V20-F97 HydrophobicContact CG1-CB 4.29Å; V20-F97 HydrophobicContact CG1-CD2 4.08Å; I81-F97 HydrophobicContact CG2-CE1 4.24Å; A84-F97 HydrophobicContact CB-CE1 4.33Å; A84-F97 HydrophobicContact CB-CE2 4.15Å; A84-F97 HydrophobicContact CB-CZ 3.89Å; K85-F97 HydrophobicContact CB-CD1 3.89Å; K85-F97 HydrophobicContact CB-CE1 4.23Å; K85-F97 HydrophobicContact CG-CD1 4.41Å; Y88-F97 HydrophobicContact CD2-CB 4.22Å; Y88-F97 AromaticContact CD2-CD2 3.43Å; Y88-F97 HydrophobicContact CD2-CD2 3.43Å; Y88-F97 VanDerWaalsContact CD2-CD2 3.43Å; Y88-F97 AromaticContact CD2-CE2 4Å; Y88-F97 HydrophobicContact CD2-CE2 4Å; Y88-F97 AromaticContact CD2-CG 3.96Å; Y88-F97 HydrophobicContact CD2-CG 3.96Å; Y88-F97 AromaticContact CE2-CD2 3.84Å; Y88-F97 HydrophobicContact CE2-CD2 3.84Å; Y88-F97 HydrophobicContact CE2-CE2 4.03Å; F97-E99 HydrophobicContact CD1-CB 3.98Å; F97-E99 HydrophobicContact CE1-CB 4.1Å; F97-E99 PolarHBondContact O-N 3.13Å; F97-W102 AromaticContact CE2-CD1 3.38Å; F97-W102 HydrophobicContact CE2-CG 4.42Å; F97-W102 AromaticContact CE2-NE1 3.56Å; F97-W102 HydrophobicContact CZ-CB 4.39Å; F97-W102 AromaticContact CZ-CD1 3.25Å; F97-W102 AromaticContact CZ-CG 3.96Å; F97-W102 HydrophobicContact CZ-CG 3.96Å; F97-W102 AromaticContact CZ-NE1 3.87Å; F97-W148 HydrophobicContact CE2-CH2 4.17Å
98N98.8Very high98.5Very high17 Ų1770.5 Ų70.59%0.09133%0.329CS..  trans-78.560.7179.5-167.58.5000112.5Y23 K100 G101 W102 W144Y23-N98 HydrophobicContact CD1-CB 3.7Å; Y23-N98 HydrophobicContact CD2-CB 4.1Å; Y23-N98 HydrophobicContact CE1-CB 3.63Å; Y23-N98 HydrophobicContact CE2-CB 4.03Å; Y23-N98 HydrophobicContact CG-CB 3.92Å; N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 2.95Å; N98-G101 PolarHBondContact O-N 2.91Å; N98-G101 PolarHBondContact OD1-N 3.01Å; N98-W102 VanDerWaalsContact O-CD1 3.29Å; N98-W102 PolarHBondContact O-N 3.29Å; N98-W102 VanDerWaalsContact O-N 3.16Å; N98-W144 PolarHBondContact ND2-NE1 3.29Å
99E98.8Very high98.5Very high66 Ų6672.8 Ų72.831%0.30834%0.338SS..Hα-helixtrans-53.1-45.4179-178.8179.7-161.200111.4I81 K85 F97 G101 W102 T103I81-E99 HydrophobicContact CG2-CG 3.98Å; K85-E99 VanDerWaalsContact CE-OE2 3.28Å; K85-E99 WeakPolarHBondContact CE-OE2 3.41Å; K85-E99 IonicContact NZ-OE1 3.75Å; K85-E99 PolarHBondContact NZ-OE1 2.85Å; K85-E99 IonicContact NZ-OE2 2.81Å; K85-E99 PolarHBondContact NZ-OE2 3.02Å; F97-E99 HydrophobicContact CD1-CB 3.98Å; F97-E99 HydrophobicContact CE1-CB 4.1Å; F97-E99 PolarHBondContact O-N 3.13Å; E99-G101 PolarHBondContact O-N 3.05Å; E99-W102 PolarHBondContact O-N 3.25Å; E99-T103 WeakPolarHBondContact O-CB 3.38Å; E99-T103 PolarHBondContact O-N 3.17Å; E99-T103 PolarHBondContact O-OG1 3.22Å; E99-T103 VanDerWaalsContact O-OG1 3.06Å
100K98.8Very high98.4Very high181 Ų18170.7 Ų70.779%0.78734%0.337SS*.Hα-helixtrans-58.9-45.3179.4-68.4-175.1178.8-179.20112.8N98 W102 T103 Y104N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 2.95Å; K100-W102 VanDerWaalsContact C-N 3.34Å; K100-W102 PolarHBondContact O-N 3.14Å; K100-T103 PolarHBondContact O-N 2.91Å; K100-Y104 WeakPolarHBondContact O-CB 3.18Å; K100-Y104 PolarHBondContact O-N 3.33Å
101G98.8Very high98.3Very high10 Ų1064.5 Ų64.510%0.10331%0.308CS..Hα-helixtrans-64.2-38.4178.600000112.7N98 E99 I105N98-G101 PolarHBondContact O-N 2.91Å; N98-G101 PolarHBondContact OD1-N 3.01Å; E99-G101 PolarHBondContact O-N 3.05Å; G101-I105 WeakPolarHBondContact O-CG1 3.27Å; G101-I105 PolarHBondContact O-N 2.84Å
102W98.8Very high98.2Very high0 Ų061.8 Ų61.80%030%0.295CS..Hα-helixtrans-71.5-41176-76.6110.1000112.8I11 L12 V76 I81 F97 N98 E99 K100 Y104 I105 L106 L113 W144 L145 W148I11-W102 HydrophobicContact CG2-CH2 4.44Å; L12-W102 HydrophobicContact CD1-CD2 3.79Å; L12-W102 HydrophobicContact CD1-CE3 3.53Å; L12-W102 HydrophobicContact CD1-CH2 3.84Å; L12-W102 HydrophobicContact CD1-CZ2 4.09Å; L12-W102 HydrophobicContact CD1-CZ3 3.56Å; L12-W102 HydrophobicContact CD2-CB 4.27Å; L12-W102 HydrophobicContact CD2-CD2 3.98Å; L12-W102 HydrophobicContact CD2-CE3 4.37Å; L12-W102 HydrophobicContact CD2-CG 3.94Å; L12-W102 HydrophobicContact CG-CD2 3.61Å; L12-W102 HydrophobicContact CG-CE3 3.92Å; L12-W102 HydrophobicContact CG-CG 4.04Å; L12-W102 HydrophobicContact CG-CH2 4.3Å; L12-W102 HydrophobicContact CG-CZ2 4.02Å; L12-W102 HydrophobicContact CG-CZ3 4.25Å; V76-W102 HydrophobicContact CG1-CE3 4.09Å; V76-W102 HydrophobicContact CG2-CE3 3.6Å; V76-W102 HydrophobicContact CG2-CZ3 3.55Å; I81-W102 HydrophobicContact CD1-CB 4.21Å; I81-W102 HydrophobicContact CG1-CB 4.09Å; F97-W102 AromaticContact CE2-CD1 3.38Å; F97-W102 HydrophobicContact CE2-CG 4.42Å; F97-W102 AromaticContact CE2-NE1 3.56Å; F97-W102 HydrophobicContact CZ-CB 4.39Å; F97-W102 AromaticContact CZ-CD1 3.25Å; F97-W102 AromaticContact CZ-CG 3.96Å; F97-W102 HydrophobicContact CZ-CG 3.96Å; F97-W102 AromaticContact CZ-NE1 3.87Å; N98-W102 VanDerWaalsContact O-CD1 3.29Å; N98-W102 PolarHBondContact O-N 3.29Å; N98-W102 VanDerWaalsContact O-N 3.16Å; E99-W102 PolarHBondContact O-N 3.25Å; K100-W102 VanDerWaalsContact C-N 3.34Å; K100-W102 PolarHBondContact O-N 3.14Å; W102-Y104 VanDerWaalsContact C-N 3.3Å; W102-Y104 PolarHBondContact O-N 2.8Å; W102-I105 HydrophobicContact CE3-CD1 3.98Å; W102-I105 HydrophobicContact CZ3-CD1 4.1Å; W102-I105 PolarHBondContact O-N 2.81Å; W102-L106 PolarHBondContact O-N 3.12Å; W102-L113 HydrophobicContact CH2-CD2 4.48Å; W102-L113 HydrophobicContact CZ3-CD2 4.06Å; W102-W144 AromaticContact CD2-CH2 3.7Å; W102-W144 HydrophobicContact CD2-CH2 3.7Å; W102-W144 HydrophobicContact CD2-CZ3 4.37Å; W102-W144 AromaticContact CE2-CH2 3.41Å; W102-W144 VanDerWaalsContact CE2-CH2 3.41Å; W102-W144 AromaticContact CE2-CZ3 3.61Å; W102-W144 HydrophobicContact CE3-CH2 4.2Å; W102-W144 HydrophobicContact CG-CH2 4.09Å; W102-W144 HydrophobicContact CH2-CH2 4.23Å; W102-W144 HydrophobicContact CH2-CZ3 4.31Å; W102-W144 AromaticContact CZ2-CH2 3.71Å; W102-W144 HydrophobicContact CZ2-CH2 3.71Å; W102-W144 AromaticContact CZ2-CZ3 3.58Å; W102-W144 HydrophobicContact CZ2-CZ3 3.58Å; W102-W144 HydrophobicContact CZ3-CH2 4.45Å; W102-W144 AromaticContact NE1-CH2 3.64Å; W102-W144 AromaticContact NE1-CZ3 3.74Å; W102-L145 HydrophobicContact CH2-CD1 3.74Å; W102-L145 HydrophobicContact CZ2-CD1 4.3Å; W102-L145 HydrophobicContact CZ3-CD1 4.34Å; W102-W148 AromaticContact CZ2-CD1 3.96Å; W102-W148 AromaticContact CZ2-CD2 3.7Å; W102-W148 HydrophobicContact CZ2-CD2 3.7Å; W102-W148 AromaticContact CZ2-CE2 3.42Å; W102-W148 VanDerWaalsContact CZ2-CE2 3.42Å; W102-W148 HydrophobicContact CZ2-CE3 4.2Å; W102-W148 HydrophobicContact CZ2-CG 4.07Å; W102-W148 HydrophobicContact CZ2-CH2 4.22Å; W102-W148 AromaticContact CZ2-CZ2 3.72Å; W102-W148 HydrophobicContact CZ2-CZ2 3.72Å; W102-W148 HydrophobicContact CZ2-CZ3 4.41Å; W102-W148 AromaticContact CZ2-NE1 3.58Å; W102-W148 AromaticContact NE1-CH2 3.67Å; W102-W148 AromaticContact NE1-CZ2 3.99Å; W102-W148 AromaticContact NE1-CZ3 3.85Å
103T98.8Very high98.2Very high39 Ų3958.8 Ų58.824%0.23928%0.282CS..Hα-helixtrans-61.1-39.1173.4-60.90000111.4E99 K100 I105 L106 E107E99-T103 WeakPolarHBondContact O-CB 3.38Å; E99-T103 PolarHBondContact O-N 3.17Å; E99-T103 PolarHBondContact O-OG1 3.22Å; E99-T103 VanDerWaalsContact O-OG1 3.06Å; K100-T103 PolarHBondContact O-N 2.91Å; T103-I105 PolarHBondContact O-N 2.85Å; T103-L106 WeakPolarHBondContact O-CB 3.2Å; T103-L106 PolarHBondContact O-N 3.09Å; T103-E107 HydrophobicContact CG2-CG 4.21Å; T103-E107 WeakPolarHBondContact CG2-OE1 3.41Å; T103-E107 WeakPolarHBondContact O-CG 3.38Å; T103-E107 PolarHBondContact O-N 2.98Å
104Y98.8Very high98.1Very high61 Ų6151.8 Ų51.824%0.23925%0.25CC..Hα-helixtrans-58.8-44.7174174.7-96.1000112.6K100 W102 L106 E107 K108 Y109 D139 E141K100-Y104 WeakPolarHBondContact O-CB 3.18Å; K100-Y104 PolarHBondContact O-N 3.33Å; W102-Y104 VanDerWaalsContact C-N 3.3Å; W102-Y104 PolarHBondContact O-N 2.8Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 2.91Å; Y104-E107 PolarHBondContact O-N 3.47Å; Y104-K108 HydrophobicContact CE1-CD 3.88Å; Y104-K108 HydrophobicContact CE2-CB 4.46Å; Y104-K108 HydrophobicContact CE2-CD 3.73Å; Y104-K108 VanDerWaalsContact O-CB 3.26Å; Y104-K108 WeakPolarHBondContact O-CB 3.49Å; Y104-K108 PolarHBondContact O-N 3.32Å; Y104-K108 WeakPolarHBondContact OH-CD 3.42Å; Y104-K108 PolarHBondContact OH-NZ 2.85Å; Y104-Y109 HydrophobicContact CE1-CE2 4.26Å; Y104-D139 VanDerWaalsContact OH-CG 3.31Å; Y104-D139 PolarHBondContact OH-OD1 2.88Å; Y104-D139 PolarHBondContact OH-OD2 2.8Å; Y104-E141 HydrophobicContact CD1-CB 4.06Å; Y104-E141 HydrophobicContact CE1-CB 3.52Å; Y104-E141 HydrophobicContact CE1-CG 4.13Å; Y104-E141 HydrophobicContact CE2-CB 4.38Å; Y104-E141 HydrophobicContact CE2-CG 4.18Å
105I98.6Very high98.1Very high0 Ų047.5 Ų47.50%023%0.227CC..Hα-helixtrans-63-42.6176.1-66.6165.8000110.5V76 G101 W102 T103 Y109 G111 H112 P114 W144 L145V76-I105 HydrophobicContact CG2-CG2 4.03Å; G101-I105 WeakPolarHBondContact O-CG1 3.27Å; G101-I105 PolarHBondContact O-N 2.84Å; W102-I105 HydrophobicContact CE3-CD1 3.98Å; W102-I105 HydrophobicContact CZ3-CD1 4.1Å; W102-I105 PolarHBondContact O-N 2.81Å; T103-I105 PolarHBondContact O-N 2.85Å; I105-Y109 WeakPolarHBondContact O-CA 3.37Å; I105-Y109 WeakPolarHBondContact O-CB 3.46Å; I105-Y109 PolarHBondContact O-N 3.4Å; I105-G111 PolarHBondContact O-N 2.97Å; I105-G111 VanDerWaalsContact O-N 3.13Å; I105-H112 WeakPolarHBondContact CG2-O 3.4Å; I105-P114 HydrophobicContact CG1-CG 4.35Å; I105-W144 HydrophobicContact CD1-CH2 3.83Å; I105-W144 HydrophobicContact CD1-CZ2 3.79Å; I105-L145 HydrophobicContact CD1-CD2 3.97Å
106L98.3Very high98.2Very high22 Ų2244.2 Ų44.212%0.11521%0.208CC..Hα-helixtrans-57.6-50.6175.9169.961.2000111.7K74 V76 P78 I81 W102 T103 Y104 N110 G111K74-L106 VanDerWaalsContact NZ-CD1 3.35Å; V76-L106 HydrophobicContact CG1-CB 4.09Å; V76-L106 WeakPolarHBondContact O-CD1 3.36Å; P78-L106 HydrophobicContact CG-CD2 3.94Å; I81-L106 HydrophobicContact CD1-CB 4.19Å; I81-L106 HydrophobicContact CD1-CD2 3.77Å; W102-L106 PolarHBondContact O-N 3.12Å; T103-L106 WeakPolarHBondContact O-CB 3.2Å; T103-L106 PolarHBondContact O-N 3.09Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 2.91Å; L106-N110 CarbonylContact O-C 3.59Å; L106-N110 WeakPolarHBondContact O-CA 3.17Å; L106-N110 PolarHBondContact O-N 2.87Å; L106-N110 VanDerWaalsContact O-N 3.14Å; L106-G111 PolarHBondContact O-N 2.96Å
107E98.4Very high98.2Very high154 Ų15443.2 Ų43.272%0.7220%0.202SC*.Hα-helixtrans-74.7-48.5-174.7-69.4175.8173.200112.5T103 Y104T103-E107 HydrophobicContact CG2-CG 4.21Å; T103-E107 WeakPolarHBondContact CG2-OE1 3.41Å; T103-E107 WeakPolarHBondContact O-CG 3.38Å; T103-E107 PolarHBondContact O-N 2.98Å; Y104-E107 PolarHBondContact O-N 3.47Å
108K98.4Very high98.2Very high114 Ų11445.1 Ų45.150%0.49621%0.21SC..Hα-helixtrans-77.2-37.8-173.9-172.3173.7-177.1-176.10113.2Y104 D139Y104-K108 HydrophobicContact CE1-CD 3.88Å; Y104-K108 HydrophobicContact CE2-CB 4.46Å; Y104-K108 HydrophobicContact CE2-CD 3.73Å; Y104-K108 VanDerWaalsContact O-CB 3.26Å; Y104-K108 WeakPolarHBondContact O-CB 3.49Å; Y104-K108 PolarHBondContact O-N 3.32Å; Y104-K108 WeakPolarHBondContact OH-CD 3.42Å; Y104-K108 PolarHBondContact OH-NZ 2.85Å; K108-D139 WeakPolarHBondContact CE-OD2 3.44Å; K108-D139 IonicContact NZ-OD2 2.81Å; K108-D139 PolarHBondContact NZ-OD2 3Å
109Y97Very high98.2Very high58 Ų5844.3 Ų44.323%0.22721%0.206CC..SBendtrans-112.712.8-174-64.9-76.1000113Y104 I105 G111 H112 P114 D139Y104-Y109 HydrophobicContact CE1-CE2 4.26Å; I105-Y109 WeakPolarHBondContact O-CA 3.37Å; I105-Y109 WeakPolarHBondContact O-CB 3.46Å; I105-Y109 PolarHBondContact O-N 3.4Å; Y109-G111 PolarHBondContact O-N 3.01Å; Y109-G111 VanDerWaalsContact O-N 3.16Å; Y109-H112 WeakPolarHBondContact CB-O 3.48Å; Y109-H112 WeakPolarHBondContact O-CB 3.19Å; Y109-H112 PolarHBondContact O-N 3.18Å; Y109-H112 PolarHBondContact O-ND1 3.42Å; Y109-P114 HydrophobicContact CD1-CB 4.42Å; Y109-P114 HydrophobicContact CD2-CB 3.98Å; Y109-P114 HydrophobicContact CD2-CG 3.9Å; Y109-P114 HydrophobicContact CE1-CB 4.18Å; Y109-P114 HydrophobicContact CE2-CB 3.7Å; Y109-P114 HydrophobicContact CE2-CG 3.84Å; Y109-P114 HydrophobicContact CG-CB 4.34Å; Y109-D139 HydrophobicContact CE2-CB 4.12Å; Y109-D139 WeakPolarHBondContact CE2-OD2 3.38Å; Y109-D139 WeakPolarHBondContact OH-CB 3.44Å; Y109-D139 PolarHBondContact OH-OD2 3.34Å
110N96.6Very high98.2Very high91 Ų9141.3 Ų41.349%0.48719%0.192SC..THydrogen-bonded Turntrans48.840.8-172.6-169.630.3000111.5K74 L106 H112K74-N110 WeakPolarHBondContact CE-OD1 3.33Å; K74-N110 VanDerWaalsContact CG-O 3.29Å; K74-N110 WeakPolarHBondContact CG-O 3.47Å; K74-N110 PolarHBondContact NZ-OD1 2.73Å; L106-N110 CarbonylContact O-C 3.59Å; L106-N110 WeakPolarHBondContact O-CA 3.17Å; L106-N110 PolarHBondContact O-N 2.87Å; L106-N110 VanDerWaalsContact O-N 3.14Å; N110-H112 VanDerWaalsContact C-N 3.33Å; N110-H112 PolarHBondContact O-N 2.81Å; N110-H112 PolarHBondContact O-ND1 2.86Å
111G96.6Very high98.2Very high0 Ų033.8 Ų33.80%016%0.162CC..THydrogen-bonded Turntrans71.814.5179.900000116.5V75 V76 I105 L106 Y109V75-G111 WeakPolarHBondContact CG2-O 3.37Å; V75-G111 PolarHBondContact N-O 2.56Å; V76-G111 PolarHBondContact N-O 2.78Å; I105-G111 PolarHBondContact O-N 2.97Å; I105-G111 VanDerWaalsContact O-N 3.13Å; L106-G111 PolarHBondContact O-N 2.96Å; Y109-G111 PolarHBondContact O-N 3.01Å; Y109-G111 VanDerWaalsContact O-N 3.16Å
112H97.3Very high98.2Very high52 Ų5233.5 Ų33.524%0.24116%0.158CC..  trans-86.2138.9171.1-65.875.9000110.7I105 Y109 N110 P114I105-H112 WeakPolarHBondContact CG2-O 3.4Å; Y109-H112 WeakPolarHBondContact CB-O 3.48Å; Y109-H112 WeakPolarHBondContact O-CB 3.19Å; Y109-H112 PolarHBondContact O-N 3.18Å; Y109-H112 PolarHBondContact O-ND1 3.42Å; N110-H112 VanDerWaalsContact C-N 3.33Å; N110-H112 PolarHBondContact O-N 2.81Å; N110-H112 PolarHBondContact O-ND1 2.86Å; H112-P114 VanDerWaalsContact O-CD 3.26Å; H112-P114 WeakPolarHBondContact O-CD 3.48Å
113L97.6Very high98.2Very high0 Ų033.5 Ų33.50%016%0.158CC..  trans-72.9119-176.6-55.6179.3000111.7I11 L70 V75 V76 W102 I115 L145 V149 N465 G466I11-L113 HydrophobicContact CD1-CD1 3.66Å; L70-L113 HydrophobicContact CB-CD1 4.46Å; L70-L113 HydrophobicContact CD2-CD1 3.96Å; V75-L113 HydrophobicContact CG2-CD1 4.22Å; V75-L113 HydrophobicContact CG2-CD2 3.69Å; V75-L113 HydrophobicContact CG2-CG 3.67Å; V76-L113 HydrophobicContact CG2-CD2 4.38Å; W102-L113 HydrophobicContact CH2-CD2 4.48Å; W102-L113 HydrophobicContact CZ3-CD2 4.06Å; L113-I115 HydrophobicContact CB-CD1 4.45Å; L113-I115 HydrophobicContact CB-CG1 4.18Å; L113-I115 HydrophobicContact CD1-CD1 4.46Å; L113-I115 PolarHBondContact O-N 2.79Å; L113-L145 HydrophobicContact CB-CD2 4.24Å; L113-L145 HydrophobicContact CD2-CD1 4.37Å; L113-L145 HydrophobicContact CD2-CD2 4.28Å; L113-V149 HydrophobicContact CD1-CG1 4.42Å; L113-N465 CarbonylContact O-C 3.57Å; L113-N465 WeakPolarHBondContact O-CA 3.22Å; L113-G466 PolarHBondContact O-N 3.29Å; L113-G466 VanDerWaalsContact O-N 3.13Å
114P97.5Very high98.2Very high0 Ų032.5 Ų32.50%015%0.153CC..  trans-80.467.3176.334.2-36.1000111.3I105 Y109 H112 T138 D139 C142 L145I105-P114 HydrophobicContact CG1-CG 4.35Å; Y109-P114 HydrophobicContact CD1-CB 4.42Å; Y109-P114 HydrophobicContact CD2-CB 3.98Å; Y109-P114 HydrophobicContact CD2-CG 3.9Å; Y109-P114 HydrophobicContact CE1-CB 4.18Å; Y109-P114 HydrophobicContact CE2-CB 3.7Å; Y109-P114 HydrophobicContact CE2-CG 3.84Å; Y109-P114 HydrophobicContact CG-CB 4.34Å; H112-P114 VanDerWaalsContact O-CD 3.26Å; H112-P114 WeakPolarHBondContact O-CD 3.48Å; P114-T138 WeakPolarHBondContact CA-OG1 3.31Å; P114-T138 WeakPolarHBondContact CB-OG1 3.21Å; P114-T138 PolarHBondContact O-N 3.13Å; P114-T138 PolarHBondContact O-OG1 2.91Å; P114-D139 HydrophobicContact CB-CB 4.08Å; P114-D139 HydrophobicContact CG-CB 4.32Å; P114-C142 HydrophobicContact CG-CB 3.76Å; P114-C142 WeakPolarHBondContact CG-SG 3.33Å; P114-L145 HydrophobicContact CG-CD2 4.26Å
115I98.1Very high98.2Very high0 Ų030.6 Ų30.60%015%0.147CC..EExtended strand (participates in β ladder)trans-127153172.762.8178000110.4L70 L113 I117 V135 E136 L145 V149 F463 Q464 N465L70-I115 HydrophobicContact CD1-CD1 4.46Å; L113-I115 HydrophobicContact CB-CD1 4.45Å; L113-I115 HydrophobicContact CB-CG1 4.18Å; L113-I115 HydrophobicContact CD1-CD1 4.46Å; L113-I115 PolarHBondContact O-N 2.79Å; I115-I117 HydrophobicContact CD1-CD1 4.13Å; I115-I117 HydrophobicContact CD1-CG1 4.36Å; I115-V135 HydrophobicContact CD1-CG1 4.42Å; I115-E136 CarbonylContact C-O 3.53Å; I115-E136 WeakPolarHBondContact CA-O 3.3Å; I115-E136 WeakPolarHBondContact CB-O 3.43Å; I115-L145 HydrophobicContact CG2-CB 4.43Å; I115-L145 HydrophobicContact CG2-CD2 3.66Å; I115-L145 HydrophobicContact CG2-CG 3.87Å; I115-V149 HydrophobicContact CD1-CG1 4.4Å; I115-V149 HydrophobicContact CD1-CG2 4.15Å; I115-F463 HydrophobicContact CD1-CD1 4.45Å; I115-F463 HydrophobicContact CD1-CE1 4.09Å; I115-F463 HydrophobicContact CG1-CD1 3.92Å; I115-F463 HydrophobicContact CG1-CE1 3.54Å; I115-Q464 WeakPolarHBondContact O-CA 3.38Å; I115-N465 PolarHBondContact O-N 3.22Å
116E98.8Very high98.2Very high27 Ų2730.6 Ų30.613%0.12615%0.147CC..EExtended strand (participates in β ladder)trans-110.8137166.6-174.2176.7-176.200109.2K118 V135 E136 T138 T461 F463 Q464E116-K118 HydrophobicContact CG-CG 4.46Å; E116-K118 WeakPolarHBondContact OE1-CE 3.43Å; E116-V135 WeakPolarHBondContact O-CA 3.32Å; E116-E136 HydrophobicContact CB-CG 4.19Å; E116-E136 PolarHBondContact N-O 3.46Å; E116-E136 PolarHBondContact O-N 3.46Å; E116-T138 HydrophobicContact CB-CG2 3.83Å; E116-T461 HydrophobicContact CG-CG2 3.84Å; E116-T461 WeakPolarHBondContact OE1-CG2 3.41Å; E116-T461 PolarHBondContact OE1-OG1 2.95Å; E116-F463 WeakPolarHBondContact CA-O 3.45Å; E116-Q464 HydrophobicContact CB-CG 4.45Å; E116-Q464 HydrophobicContact CG-CG 4.42Å
117I98.9Very high98.1Very high0 Ų031 Ų310%015%0.151CC..EExtended strand (participates in β ladder)trans-123.7122.3172.3-53.1179.1000108.3L62 L66 L70 I115 F133 T134 V135 L153 V462 F463L62-I117 HydrophobicContact CD2-CG2 4.18Å; L66-I117 HydrophobicContact CD2-CD1 3.71Å; L70-I117 HydrophobicContact CD1-CD1 3.96Å; I115-I117 HydrophobicContact CD1-CD1 4.13Å; I115-I117 HydrophobicContact CD1-CG1 4.36Å; I117-F133 HydrophobicContact CG2-CB 4.5Å; I117-F133 HydrophobicContact CG2-CD2 4.31Å; I117-T134 VanDerWaalsContact CA-O 3.25Å; I117-T134 WeakPolarHBondContact CA-O 3.22Å; I117-T134 WeakPolarHBondContact CG2-O 3.26Å; I117-V135 HydrophobicContact CD1-CG2 4.5Å; I117-V135 HydrophobicContact CG1-CG1 4.22Å; I117-V135 HydrophobicContact CG1-CG2 4.13Å; I117-V135 HydrophobicContact CG2-CG2 4.4Å; I117-L153 HydrophobicContact CD1-CD1 4.21Å; I117-L153 HydrophobicContact CD1-CD2 4.26Å; I117-V462 HydrophobicContact CB-CG2 4.24Å; I117-V462 HydrophobicContact CG2-CG2 3.97Å; I117-V462 WeakPolarHBondContact O-CG2 3.48Å; I117-V462 PolarHBondContact O-N 2.97Å; I117-F463 HydrophobicContact CB-CB 4.06Å; I117-F463 HydrophobicContact CD1-CB 4.28Å; I117-F463 HydrophobicContact CD1-CD1 4.35Å; I117-F463 HydrophobicContact CD1-CG 4.48Å; I117-F463 HydrophobicContact CG1-CB 4.25Å; I117-F463 HydrophobicContact CG1-CD1 4.34Å; I117-F463 PolarHBondContact N-O 3.28Å; I117-F463 PolarHBondContact O-N 2.89Å
118K98.9Very high98.1Very high55 Ų5525.6 Ų25.624%0.23912%0.124CC..EExtended strand (participates in β ladder)trans-107.1137.5169.4-55.6-174176.8-176.70109.8E116 F133 T134 L459 H460E116-K118 HydrophobicContact CG-CG 4.46Å; E116-K118 WeakPolarHBondContact OE1-CE 3.43Å; K118-F133 CarbonylContact O-C 3.58Å; K118-F133 WeakPolarHBondContact O-CA 3.27Å; K118-F133 WeakPolarHBondContact O-CB 3.28Å; K118-T134 PolarHBondContact N-O 3.1Å; K118-T134 VanDerWaalsContact N-O 3.13Å; K118-T134 PolarHBondContact O-N 3.19Å; K118-L459 HydrophobicContact CB-CB 3.96Å; K118-H460 CarbonylContact C-O 3.56Å; K118-H460 WeakPolarHBondContact CA-O 3.41Å
119A98.9Very high98Very high1 Ų120.8 Ų20.81%0.00811%0.107CC..EExtended strand (participates in β ladder)trans-143.4150.5-177.500000111.9F59 L62 L132 F133 H460 V462F59-A119 HydrophobicContact CE1-CB 4Å; F59-A119 HydrophobicContact CZ-CB 4.04Å; L62-A119 HydrophobicContact CD2-CB 3.59Å; A119-L132 WeakPolarHBondContact CA-O 3.34Å; A119-F133 HydrophobicContact CB-CB 3.69Å; A119-H460 PolarHBondContact N-O 3.14Å; A119-H460 PolarHBondContact O-N 2.63Å; A119-V462 HydrophobicContact CB-CG1 4.17Å; A119-V462 HydrophobicContact CB-CG2 3.92Å
120V98.8Very high98.1Very high2 Ų218.7 Ų18.71%0.01210%0.1CC..PPolyproline II helixtrans-62149.2166.471.20000109.6F59 E122 I126 L132 L433 L459F59-V120 HydrophobicContact CB-CG1 3.83Å; F59-V120 HydrophobicContact CD1-CG1 3.42Å; F59-V120 VanDerWaalsContact CD1-CG1 3.42Å; F59-V120 VanDerWaalsContact CD1-O 3.27Å; F59-V120 WeakPolarHBondContact CD1-O 3.16Å; F59-V120 HydrophobicContact CD2-CG1 4.32Å; F59-V120 HydrophobicContact CE1-CG1 4.02Å; F59-V120 WeakPolarHBondContact CE1-O 3.05Å; F59-V120 HydrophobicContact CG-CG1 3.58Å; V120-E122 PolarHBondContact O-N 3.07Å; V120-I126 HydrophobicContact CG1-CG1 4.39Å; V120-I126 HydrophobicContact CG2-CD1 3.98Å; V120-I126 HydrophobicContact CG2-CG1 4.22Å; V120-L132 HydrophobicContact CG1-CB 4.49Å; V120-L132 HydrophobicContact CG1-CD2 4.34Å; V120-L132 PolarHBondContact N-O 3.18Å; V120-L433 HydrophobicContact CB-CD2 4.22Å; V120-L433 HydrophobicContact CG2-CD2 3.88Å; V120-L459 HydrophobicContact CB-CD2 4.14Å
121P98.7Very high98.2Very high24 Ų2414.4 Ų14.416%0.1568%0.077CC..PPolyproline II helixtrans-54.5138.6177.2-28.335.6000113.3S124 Y472P121-S124 WeakPolarHBondContact O-CB 3.39Å; P121-S124 PolarHBondContact O-N 3.04Å; P121-S124 VanDerWaalsContact O-N 3.14Å; P121-S124 PolarHBondContact O-OG 2.62Å; P121-Y472 WeakPolarHBondContact CA-OH 3.49Å; P121-Y472 HydrophobicContact CB-CE1 3.7Å; P121-Y472 HydrophobicContact CG-CE1 4.39Å
122E98.9Very high98.3Very high4 Ų414.4 Ų14.42%0.0198%0.077CC..THydrogen-bonded Turntrans-63.9145.8175.2-68.4-152.2-162.100111.6F59 Y60 G61 L62 Q63 V120 S124 Y232 Y472 V477 N480F59-E122 HydrophobicContact CD1-CG 4.1Å; F59-E122 HydrophobicContact CE1-CG 4.02Å; F59-E122 CarbonylContact O-C 3.58Å; F59-E122 WeakPolarHBondContact O-CA 3.25Å; Y60-E122 WeakPolarHBondContact CA-OE2 3.22Å; Y60-E122 WeakPolarHBondContact CD2-OE2 3.48Å; G61-E122 PolarHBondContact N-OE2 3.08Å; L62-E122 WeakPolarHBondContact CA-OE1 3.4Å; L62-E122 PolarHBondContact N-OE1 3.41Å; Q63-E122 VanDerWaalsContact CB-OE1 3.26Å; Q63-E122 WeakPolarHBondContact CB-OE1 3.49Å; Q63-E122 PolarHBondContact N-OE1 3.01Å; V120-E122 PolarHBondContact O-N 3.07Å; E122-S124 VanDerWaalsContact C-N 3.26Å; E122-Y232 WeakPolarHBondContact OE2-CE1 3.2Å; E122-Y232 PolarHBondContact OE2-OH 2.81Å; E122-Y232 VanDerWaalsContact OE2-OH 3.13Å; E122-Y472 HydrophobicContact CB-CD2 4.08Å; E122-Y472 HydrophobicContact CB-CG 4.41Å; E122-Y472 HydrophobicContact CG-CD2 4.15Å; E122-V477 HydrophobicContact CB-CG2 3.74Å; E122-N480 PolarHBondContact O-ND2 2.88Å
123G98.8Very high98.4Very high0 Ų012 Ų120%07%0.066CC..THydrogen-bonded Turntrans83.4-10.4-168.100000114.2F59 V125 V477 N480 A481F59-G123 PolarHBondContact O-N 2.99Å; G123-V125 PolarHBondContact O-N 3.45Å; G123-V477 WeakPolarHBondContact CA-O 3.35Å; G123-N480 CarbonylContact O-C 3.47Å; G123-A481 VanDerWaalsContact O-CA 3.23Å; G123-A481 WeakPolarHBondContact O-CA 3.46Å; G123-A481 WeakPolarHBondContact O-CB 3.36Å; G123-A481 PolarHBondContact O-N 3.35Å
124S98.6Very high98.5Very high18 Ų1812.1 Ų12.113%0.1267%0.066CC..  trans-61.1133.6178.2-62.80000112.1F59 P121 E122F59-S124 PolarHBondContact N-O 3.11Å; P121-S124 WeakPolarHBondContact O-CB 3.39Å; P121-S124 PolarHBondContact O-N 3.04Å; P121-S124 VanDerWaalsContact O-N 3.14Å; P121-S124 PolarHBondContact O-OG 2.62Å; E122-S124 VanDerWaalsContact C-N 3.26Å
125V98.4Very high98.5Very high20 Ų2012.1 Ų12.112%0.1217%0.066CC..EExtended strand (participates in β ladder)trans-97.1101.9177.1-175.40000109.1K56 T57 V58 G123 F441K56-V125 HydrophobicContact CB-CG1 3.74Å; K56-V125 HydrophobicContact CD-CG1 4.05Å; K56-V125 HydrophobicContact CG-CG1 4.47Å; T57-V125 WeakPolarHBondContact O-CA 3.4Å; V58-V125 HydrophobicContact CG2-CG2 4.42Å; G123-V125 PolarHBondContact O-N 3.45Å; V125-F441 WeakPolarHBondContact O-CE2 3.29Å
126I98.3Very high98.6Very high0 Ų013.4 Ų13.40%07%0.072CC..EExtended strand (participates in β ladder)trans-113.8131.5-169.7-55.1-55.7000110.6K56 T57 V120 N130 L132 L433 F441K56-I126 CarbonylContact C-O 3.59Å; K56-I126 WeakPolarHBondContact CA-O 3.37Å; T57-I126 PolarHBondContact N-O 3.36Å; T57-I126 PolarHBondContact O-N 3.23Å; T57-I126 PolarHBondContact OG1-O 2.93Å; V120-I126 HydrophobicContact CG1-CG1 4.39Å; V120-I126 HydrophobicContact CG2-CD1 3.98Å; V120-I126 HydrophobicContact CG2-CG1 4.22Å; I126-N130 HydrophobicContact CG2-CB 3.62Å; I126-L132 HydrophobicContact CB-CD2 3.75Å; I126-L132 HydrophobicContact CG1-CD2 3.94Å; I126-L132 HydrophobicContact CG2-CD2 3.71Å; I126-L433 HydrophobicContact CD1-CD2 4.3Å; I126-F441 HydrophobicContact CD1-CD1 3.85Å; I126-F441 HydrophobicContact CD1-CD2 4.19Å; I126-F441 HydrophobicContact CD1-CE1 3.35Å; I126-F441 HydrophobicContact CD1-CE2 3.72Å; I126-F441 HydrophobicContact CD1-CG 4.21Å; I126-F441 HydrophobicContact CD1-CZ 3.23Å
127P97.3Very high98.5Very high30 Ų3012.1 Ų12.120%0.1957%0.067CC..EExtended strand (participates in β ladder)trans-57.6144.6171.6-22.632.7000112.3D55 K56 N130 F441D55-P127 WeakPolarHBondContact O-CA 3.45Å; K56-P127 HydrophobicContact CG-CB 4.48Å; K56-P127 HydrophobicContact CG-CG 4.3Å; P127-N130 PolarHBondContact O-ND2 3.4Å; P127-N130 VanDerWaalsContact O-ND2 3.14Å; P127-F441 VanDerWaalsContact CD-CD2 3.41Å; P127-F441 HydrophobicContact CG-CB 4.42Å; P127-F441 HydrophobicContact CG-CD2 4.13Å
128R97.1Very high98.5Very high41 Ų4114.4 Ų14.416%0.1558%0.08CC..THydrogen-bonded Turntrans-56.7154.8174.8-71.4-175.466.3-156.913.7112C39 R40 Y54 D55 T57 N130 L396 N397C39-R128 HydrophobicContact CB-CG 4.3Å; C39-R128 CarbonylContact O-C 3.5Å; C39-R128 VanDerWaalsContact O-CA 3.3Å; C39-R128 WeakPolarHBondContact O-CA 3.35Å; C39-R128 VanDerWaalsContact O-CB 3.3Å; C39-R128 WeakPolarHBondContact O-CB 3.44Å; R40-R128 PolarHBondContact O-NE 2.77Å; R40-R128 PolarHBondContact O-NH2 2.87Å; Y54-R128 WeakPolarHBondContact O-CD 3.48Å; D55-R128 PolarHBondContact O-N 3.27Å; T57-R128 HydrophobicContact CG2-CG 4.01Å; R128-N130 VanDerWaalsContact C-N 3.3Å; R128-L396 PolarHBondContact NE-O 2.85Å; R128-L396 PolarHBondContact NH2-O 2.97Å; R128-N397 PolarHBondContact NH2-OD1 3.44Å
129G97.3Very high98.5Very high13 Ų1312.1 Ų12.113%0.1347%0.071CC..THydrogen-bonded Turntrans79.59.3-177.600000114.6C39 K427C39-G129 PolarHBondContact O-N 3.26Å; G129-K427 WeakPolarHBondContact O-CE 3.33Å; G129-K427 PolarHBondContact O-NZ 3.14Å
130N98.7Very high98.4Very high15 Ų1515.4 Ų15.48%0.089%0.092CC..SBendtrans-103.9149.7173.5-77.5-71.3000112.5E38 I126 P127 R128 L433 T443E38-N130 VanDerWaalsContact CB-O 3.22Å; E38-N130 WeakPolarHBondContact CB-O 3.22Å; I126-N130 HydrophobicContact CG2-CB 3.62Å; P127-N130 PolarHBondContact O-ND2 3.4Å; P127-N130 VanDerWaalsContact O-ND2 3.14Å; R128-N130 VanDerWaalsContact C-N 3.3Å; N130-L433 HydrophobicContact CB-CD1 3.86Å; N130-T443 WeakPolarHBondContact CA-OG1 3.47Å; N130-T443 WeakPolarHBondContact CB-OG1 3.47Å; N130-T443 PolarHBondContact OD1-N 2.87Å; N130-T443 PolarHBondContact OD1-OG1 2.97Å
131V98.9Very high98.4Very high0 Ų021 Ų210%012%0.118CC..EExtended strand (participates in β ladder)trans-66.3130.7172.1640000110Y36 T134 L431 L433 T443 L459Y36-V131 HydrophobicContact CD2-CB 4.49Å; Y36-V131 HydrophobicContact CD2-CG2 4.23Å; V131-T134 HydrophobicContact CG2-CG2 3.58Å; V131-L431 HydrophobicContact CB-CB 4.47Å; V131-L431 HydrophobicContact CB-CD1 4.23Å; V131-L431 HydrophobicContact CG1-CB 4.36Å; V131-L431 HydrophobicContact CG2-CB 4.42Å; V131-L431 HydrophobicContact CG2-CD1 4.21Å; V131-L433 HydrophobicContact CG1-CB 3.93Å; V131-T443 HydrophobicContact CB-CG2 3.98Å; V131-T443 HydrophobicContact CG1-CG2 3.64Å; V131-T443 PolarHBondContact N-OG1 3.22Å; V131-L459 HydrophobicContact CG1-CD1 3.95Å; V131-L459 HydrophobicContact CG2-CD1 4.07Å
132L98.9Very high98.4Very high1 Ų119.8 Ų19.81%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-106.1-38.8178.1-58.6179.5000111.5F37 F59 A119 V120 I126 I160F37-L132 HydrophobicContact CD1-CB 4.22Å; F37-L132 HydrophobicContact CD1-CD1 4.03Å; F37-L132 HydrophobicContact CE1-CD1 3.96Å; F37-L132 PolarHBondContact O-N 3.02Å; F59-L132 HydrophobicContact CD2-CB 3.88Å; F59-L132 HydrophobicContact CD2-CD1 4.11Å; F59-L132 HydrophobicContact CD2-CG 4.46Å; F59-L132 HydrophobicContact CE2-CB 4.02Å; A119-L132 WeakPolarHBondContact CA-O 3.34Å; V120-L132 HydrophobicContact CG1-CB 4.49Å; V120-L132 HydrophobicContact CG1-CD2 4.34Å; V120-L132 PolarHBondContact N-O 3.18Å; I126-L132 HydrophobicContact CB-CD2 3.75Å; I126-L132 HydrophobicContact CG1-CD2 3.94Å; I126-L132 HydrophobicContact CG2-CD2 3.71Å; L132-I160 HydrophobicContact CD1-CD1 4.33Å
133F98.9Very high98.4Very high0 Ų021.9 Ų21.90%012%0.119CC..EExtended strand (participates in β ladder)trans-151.8161.6169.467.8-94000111.8Y36 F37 F59 L62 I117 K118 A119 V135 L153 I156 F400Y36-F133 CarbonylContact C-O 3.35Å; Y36-F133 WeakPolarHBondContact CA-O 3.28Å; F37-F133 HydrophobicContact CB-CD1 3.57Å; F37-F133 HydrophobicContact CB-CD2 4.01Å; F37-F133 HydrophobicContact CB-CE1 3.17Å; F37-F133 HydrophobicContact CB-CE2 3.65Å; F37-F133 HydrophobicContact CB-CG 3.98Å; F37-F133 HydrophobicContact CB-CZ 3.22Å; F37-F133 AromaticContact CD1-CD1 3.97Å; F37-F133 HydrophobicContact CD1-CD1 3.97Å; F37-F133 AromaticContact CD1-CE1 3.48Å; F37-F133 HydrophobicContact CD1-CE1 3.48Å; F37-F133 VanDerWaalsContact CD1-CE1 3.48Å; F37-F133 HydrophobicContact CD1-CZ 4.25Å; F37-F133 AromaticContact CD2-CE1 3.72Å; F37-F133 HydrophobicContact CD2-CE1 3.72Å; F37-F133 AromaticContact CD2-CZ 3.67Å; F37-F133 HydrophobicContact CD2-CZ 3.67Å; F37-F133 HydrophobicContact CE1-CE1 4.2Å; F37-F133 HydrophobicContact CE2-CE1 4.4Å; F37-F133 AromaticContact CG-CD1 3.92Å; F37-F133 HydrophobicContact CG-CD1 3.92Å; F37-F133 AromaticContact CG-CE1 3.19Å; F37-F133 HydrophobicContact CG-CE1 3.19Å; F37-F133 HydrophobicContact CG-CE2 4.39Å; F37-F133 AromaticContact CG-CZ 3.49Å; F37-F133 HydrophobicContact CG-CZ 3.49Å; F37-F133 VanDerWaalsContact CG-CZ 3.49Å; F37-F133 PolarHBondContact N-O 3.04Å; F59-F133 AromaticContact CE2-CD1 3.83Å; F59-F133 HydrophobicContact CE2-CD1 3.83Å; F59-F133 HydrophobicContact CE2-CE1 4.45Å; F59-F133 HydrophobicContact CZ-CD1 4.11Å; L62-F133 HydrophobicContact CD2-CB 4.29Å; L62-F133 HydrophobicContact CD2-CG 4.38Å; I117-F133 HydrophobicContact CG2-CB 4.5Å; I117-F133 HydrophobicContact CG2-CD2 4.31Å; K118-F133 CarbonylContact O-C 3.58Å; K118-F133 WeakPolarHBondContact O-CA 3.27Å; K118-F133 WeakPolarHBondContact O-CB 3.28Å; A119-F133 HydrophobicContact CB-CB 3.69Å; F133-V135 HydrophobicContact CD2-CG2 3.96Å; F133-V135 HydrophobicContact CE2-CG2 3.99Å; F133-L153 HydrophobicContact CE2-CB 4.32Å; F133-L153 HydrophobicContact CE2-CD1 4.24Å; F133-L153 HydrophobicContact CZ-CB 4.21Å; F133-I156 HydrophobicContact CE1-CD1 4.35Å; F133-I156 HydrophobicContact CE1-CG2 3.92Å; F133-I156 HydrophobicContact CZ-CG2 4.38Å; F133-F400 HydrophobicContact CE2-CD2 4.04Å; F133-F400 AromaticContact CE2-CE2 3.95Å; F133-F400 HydrophobicContact CE2-CE2 3.95Å; F133-F400 HydrophobicContact CZ-CD2 4.37Å
134T98.9Very high98.4Very high3 Ų322.4 Ų22.42%0.01812%0.121CC..EExtended strand (participates in β ladder)trans-129.8152.9-179.763.80000109.5Y34 S35 I117 K118 V131 L459Y34-T134 HydrophobicContact CE1-CG2 4.47Å; Y34-T134 HydrophobicContact CE2-CG2 4.3Å; Y34-T134 WeakPolarHBondContact OH-CB 3.34Å; Y34-T134 WeakPolarHBondContact OH-CG2 2.93Å; S35-T134 CarbonylContact O-C 3.6Å; S35-T134 VanDerWaalsContact O-CA 3.27Å; S35-T134 WeakPolarHBondContact O-CA 3.33Å; I117-T134 VanDerWaalsContact CA-O 3.25Å; I117-T134 WeakPolarHBondContact CA-O 3.22Å; I117-T134 WeakPolarHBondContact CG2-O 3.26Å; K118-T134 PolarHBondContact N-O 3.1Å; K118-T134 VanDerWaalsContact N-O 3.13Å; K118-T134 PolarHBondContact O-N 3.19Å; V131-T134 HydrophobicContact CG2-CG2 3.58Å; T134-L459 HydrophobicContact CG2-CD1 3.72Å
135V98.9Very high98.4Very high0 Ų021.6 Ų21.60%012%0.115CC..EExtended strand (participates in β ladder)trans-138132.5-178.9-172.70000108.7Y34 S35 I115 E116 I117 F133 T146 V149 L153 F400Y34-V135 WeakPolarHBondContact CA-O 3.48Å; S35-V135 PolarHBondContact N-O 2.9Å; S35-V135 PolarHBondContact O-N 3.19Å; I115-V135 HydrophobicContact CD1-CG1 4.42Å; E116-V135 WeakPolarHBondContact O-CA 3.32Å; I117-V135 HydrophobicContact CD1-CG2 4.5Å; I117-V135 HydrophobicContact CG1-CG1 4.22Å; I117-V135 HydrophobicContact CG1-CG2 4.13Å; I117-V135 HydrophobicContact CG2-CG2 4.4Å; F133-V135 HydrophobicContact CD2-CG2 3.96Å; F133-V135 HydrophobicContact CE2-CG2 3.99Å; V135-T146 HydrophobicContact CB-CG2 4.17Å; V135-T146 HydrophobicContact CG1-CG2 4.05Å; V135-T146 VanDerWaalsContact O-CG2 3.28Å; V135-T146 WeakPolarHBondContact O-CG2 3.38Å; V135-V149 HydrophobicContact CG1-CG2 4.21Å; V135-L153 HydrophobicContact CG2-CD1 3.69Å; V135-F400 HydrophobicContact CB-CE2 4.26Å; V135-F400 HydrophobicContact CB-CZ 4.1Å; V135-F400 HydrophobicContact CG2-CE2 3.68Å; V135-F400 HydrophobicContact CG2-CZ 4.01Å
136E98.8Very high98.4Very high27 Ų2720.6 Ų20.613%0.12611%0.109CC..EExtended strand (participates in β ladder)trans-144.7152173.159.3178.991.900112.4K32 V33 Y34 I115 E116K32-E136 IonicContact NZ-OE2 2.65Å; K32-E136 PolarHBondContact NZ-OE2 2.88Å; V33-E136 WeakPolarHBondContact O-CA 3.3Å; Y34-E136 HydrophobicContact CD2-CB 3.96Å; Y34-E136 HydrophobicContact CD2-CG 4.38Å; Y34-E136 WeakPolarHBondContact CD2-OE1 3.29Å; I115-E136 CarbonylContact C-O 3.53Å; I115-E136 WeakPolarHBondContact CA-O 3.3Å; I115-E136 WeakPolarHBondContact CB-O 3.43Å; E116-E136 HydrophobicContact CB-CG 4.19Å; E116-E136 PolarHBondContact N-O 3.46Å; E116-E136 PolarHBondContact O-N 3.46Å
137S97.6Very high98.5Very high1 Ų121.3 Ų21.31%0.00711%0.113CC..EExtended strand (participates in β ladder)trans-71.9137.7169.6630000110.3K32 C142 T146K32-S137 PolarHBondContact NZ-O 3.14Å; S137-C142 WeakPolarHBondContact CB-O 3.05Å; S137-T146 PolarHBondContact N-OG1 2.75Å; S137-T146 VanDerWaalsContact N-OG1 3.14Å
138T98.3Very high98.5Very high47 Ų4720.1 Ų20.129%0.28810%0.104SC..SBendtrans-96.4-11.4175.4580000112.4P114 E116 N465P114-T138 WeakPolarHBondContact CA-OG1 3.31Å; P114-T138 WeakPolarHBondContact CB-OG1 3.21Å; P114-T138 PolarHBondContact O-N 3.13Å; P114-T138 PolarHBondContact O-OG1 2.91Å; E116-T138 HydrophobicContact CB-CG2 3.83Å; T138-N465 WeakPolarHBondContact CB-OD1 3.49Å; T138-N465 WeakPolarHBondContact CG2-OD1 3.45Å; T138-N465 PolarHBondContact OG1-OD1 3.25Å
139D98.6Very high98.6Very high7 Ų718.2 Ų18.24%0.03710%0.097CC..SBendtrans-118.7132.8173.8-166.2-58.2000110.6Y104 K108 Y109 P114 E141 C142Y104-D139 VanDerWaalsContact OH-CG 3.31Å; Y104-D139 PolarHBondContact OH-OD1 2.88Å; Y104-D139 PolarHBondContact OH-OD2 2.8Å; K108-D139 WeakPolarHBondContact CE-OD2 3.44Å; K108-D139 IonicContact NZ-OD2 2.81Å; K108-D139 PolarHBondContact NZ-OD2 3Å; Y109-D139 HydrophobicContact CE2-CB 4.12Å; Y109-D139 WeakPolarHBondContact CE2-OD2 3.38Å; Y109-D139 WeakPolarHBondContact OH-CB 3.44Å; Y109-D139 PolarHBondContact OH-OD2 3.34Å; P114-D139 HydrophobicContact CB-CB 4.08Å; P114-D139 HydrophobicContact CG-CB 4.32Å; D139-E141 VanDerWaalsContact C-N 3.27Å; D139-E141 PolarHBondContact O-N 3.13Å; D139-E141 WeakPolarHBondContact OD1-CB 3.47Å; D139-E141 PolarHBondContact OD1-N 3.49Å; D139-C142 HydrophobicContact CB-CB 4.27Å; D139-C142 PolarHBondContact O-N 3.06Å
140P98.6Very high98.7Very high71 Ų7119 Ų1946%0.46110%0.097SC..G310 helixtrans-55.2-35.2176.7-28.637000115.2S31 C142 Y143S31-P140 WeakPolarHBondContact O-CA 3.21Å; P140-C142 PolarHBondContact O-N 2.95Å; P140-Y143 WeakPolarHBondContact O-CD1 3.49Å
141E98.6Very high98.7Very high118 Ų11819.6 Ų19.655%0.55110%0.102SC*.G310 helixtrans-72.9-10.2179.9-64.6-58.6135.300112.8Y104 D139 W144Y104-E141 HydrophobicContact CD1-CB 4.06Å; Y104-E141 HydrophobicContact CE1-CB 3.52Å; Y104-E141 HydrophobicContact CE1-CG 4.13Å; Y104-E141 HydrophobicContact CE2-CB 4.38Å; Y104-E141 HydrophobicContact CE2-CG 4.18Å; D139-E141 VanDerWaalsContact C-N 3.27Å; D139-E141 PolarHBondContact O-N 3.13Å; D139-E141 WeakPolarHBondContact OD1-CB 3.47Å; D139-E141 PolarHBondContact OD1-N 3.49Å; E141-W144 PolarHBondContact O-NE1 3.38Å; E141-W144 VanDerWaalsContact O-NE1 3.09Å
142C98.6Very high98.6Very high0 Ų019.9 Ų19.90%010%0.103CC..G310 helixtrans-110.120.6-176.7-590000113P114 S137 D139 P140 W144 L145P114-C142 HydrophobicContact CG-CB 3.76Å; P114-C142 WeakPolarHBondContact CG-SG 3.33Å; S137-C142 WeakPolarHBondContact CB-O 3.05Å; D139-C142 HydrophobicContact CB-CB 4.27Å; D139-C142 PolarHBondContact O-N 3.06Å; P140-C142 PolarHBondContact O-N 2.95Å; C142-W144 PolarHBondContact O-N 3.21Å; C142-W144 VanDerWaalsContact O-N 3.12Å; C142-L145 HydrophobicContact CB-CB 4.32Å; C142-L145 HydrophobicContact CB-CD2 4.45Å; C142-L145 VanDerWaalsContact O-CB 3.22Å; C142-L145 WeakPolarHBondContact O-CB 3.18Å; C142-L145 PolarHBondContact O-N 3.49Å
143Y98.7Very high98.6Very high47 Ų4719.9 Ų19.918%0.18410%0.103CC..THydrogen-bonded Turntrans-52.5-34.5178.268.3-93.5000113.4Y23 Y26 T30 V33 P140 L145Y23-Y143 PolarHBondContact O-OH 3.42Å; Y26-Y143 AromaticContact CD2-CD2 3.92Å; Y26-Y143 HydrophobicContact CD2-CD2 3.92Å; Y26-Y143 AromaticContact CD2-CE2 3.76Å; Y26-Y143 HydrophobicContact CD2-CE2 3.76Å; Y26-Y143 HydrophobicContact CG-CD2 4.09Å; Y26-Y143 AromaticContact CG-CE2 3.99Å; Y26-Y143 HydrophobicContact CG-CE2 3.99Å; T30-Y143 HydrophobicContact CG2-CD2 4.06Å; T30-Y143 HydrophobicContact CG2-CG 4.18Å; T30-Y143 VanDerWaalsContact O-CD1 3.26Å; T30-Y143 WeakPolarHBondContact O-CD1 3.4Å; V33-Y143 WeakPolarHBondContact CB-O 3.39Å; V33-Y143 HydrophobicContact CG2-CD2 4.44Å; V33-Y143 VanDerWaalsContact CG2-O 3.28Å; V33-Y143 WeakPolarHBondContact CG2-O 3.34Å; P140-Y143 WeakPolarHBondContact O-CD1 3.49Å; Y143-L145 VanDerWaalsContact C-N 3.28Å; Y143-L145 PolarHBondContact O-N 3.44Å
144W98.8Very high98.6Very high12 Ų1220.9 Ų20.95%0.04511%0.109CC..THydrogen-bonded Turntrans-71.6-20.7-179.456.9-90.8000113.2N98 W102 I105 E141 C142 W148N98-W144 PolarHBondContact ND2-NE1 3.29Å; W102-W144 AromaticContact CD2-CH2 3.7Å; W102-W144 HydrophobicContact CD2-CH2 3.7Å; W102-W144 HydrophobicContact CD2-CZ3 4.37Å; W102-W144 AromaticContact CE2-CH2 3.41Å; W102-W144 VanDerWaalsContact CE2-CH2 3.41Å; W102-W144 AromaticContact CE2-CZ3 3.61Å; W102-W144 HydrophobicContact CE3-CH2 4.2Å; W102-W144 HydrophobicContact CG-CH2 4.09Å; W102-W144 HydrophobicContact CH2-CH2 4.23Å; W102-W144 HydrophobicContact CH2-CZ3 4.31Å; W102-W144 AromaticContact CZ2-CH2 3.71Å; W102-W144 HydrophobicContact CZ2-CH2 3.71Å; W102-W144 AromaticContact CZ2-CZ3 3.58Å; W102-W144 HydrophobicContact CZ2-CZ3 3.58Å; W102-W144 HydrophobicContact CZ3-CH2 4.45Å; W102-W144 AromaticContact NE1-CH2 3.64Å; W102-W144 AromaticContact NE1-CZ3 3.74Å; I105-W144 HydrophobicContact CD1-CH2 3.83Å; I105-W144 HydrophobicContact CD1-CZ2 3.79Å; E141-W144 PolarHBondContact O-NE1 3.38Å; E141-W144 VanDerWaalsContact O-NE1 3.09Å; C142-W144 PolarHBondContact O-N 3.21Å; C142-W144 VanDerWaalsContact O-N 3.12Å; W144-W148 HydrophobicContact CE3-CE3 4.04Å; W144-W148 HydrophobicContact CZ3-CD2 4.19Å; W144-W148 AromaticContact CZ3-CE3 3.83Å; W144-W148 HydrophobicContact CZ3-CE3 3.83Å; W144-W148 HydrophobicContact CZ3-CG 4.46Å; W144-W148 HydrophobicContact CZ3-CZ3 4.39Å; W144-W148 PolarHBondContact O-N 2.67Å
145L98.7Very high98.6Very high0 Ų025.2 Ų25.20%013%0.129CC..Hα-helixtrans-71.5-31.8-173.9-175.762.8000112.4W102 I105 L113 P114 I115 C142 Y143 N147 W148 V149W102-L145 HydrophobicContact CH2-CD1 3.74Å; W102-L145 HydrophobicContact CZ2-CD1 4.3Å; W102-L145 HydrophobicContact CZ3-CD1 4.34Å; I105-L145 HydrophobicContact CD1-CD2 3.97Å; L113-L145 HydrophobicContact CB-CD2 4.24Å; L113-L145 HydrophobicContact CD2-CD1 4.37Å; L113-L145 HydrophobicContact CD2-CD2 4.28Å; P114-L145 HydrophobicContact CG-CD2 4.26Å; I115-L145 HydrophobicContact CG2-CB 4.43Å; I115-L145 HydrophobicContact CG2-CD2 3.66Å; I115-L145 HydrophobicContact CG2-CG 3.87Å; C142-L145 HydrophobicContact CB-CB 4.32Å; C142-L145 HydrophobicContact CB-CD2 4.45Å; C142-L145 VanDerWaalsContact O-CB 3.22Å; C142-L145 WeakPolarHBondContact O-CB 3.18Å; C142-L145 PolarHBondContact O-N 3.49Å; Y143-L145 VanDerWaalsContact C-N 3.28Å; Y143-L145 PolarHBondContact O-N 3.44Å; L145-N147 VanDerWaalsContact C-N 3.26Å; L145-N147 PolarHBondContact O-N 2.93Å; L145-W148 HydrophobicContact CD1-CB 4.15Å; L145-W148 HydrophobicContact CD1-CG 4.41Å; L145-W148 VanDerWaalsContact O-CB 3.3Å; L145-W148 WeakPolarHBondContact O-CB 3.49Å; L145-W148 PolarHBondContact O-N 2.94Å; L145-V149 HydrophobicContact CD1-CG1 4.46Å; L145-V149 PolarHBondContact O-N 3.21Å
146T98.7Very high98.6Very high0 Ų025.2 Ų25.20%013%0.129CC..Hα-helixtrans-51.3-45.3-179.5-60.80000112.3V33 V135 S137 V149V33-T146 HydrophobicContact CB-CG2 4.44Å; V33-T146 HydrophobicContact CG1-CG2 4.02Å; V33-T146 WeakPolarHBondContact O-CG2 3.33Å; V33-T146 PolarHBondContact O-OG1 2.85Å; V135-T146 HydrophobicContact CB-CG2 4.17Å; V135-T146 HydrophobicContact CG1-CG2 4.05Å; V135-T146 VanDerWaalsContact O-CG2 3.28Å; V135-T146 WeakPolarHBondContact O-CG2 3.38Å; S137-T146 PolarHBondContact N-OG1 2.75Å; S137-T146 VanDerWaalsContact N-OG1 3.14Å; T146-V149 WeakPolarHBondContact O-CG2 3.27Å
147N98.7Very high98.6Very high15 Ų1526.6 Ų26.68%0.0813%0.133CC..Hα-helixtrans-95.9-6.3179.4-83.167.3000113.5K19 Y26 S35 L145 E150K19-N147 WeakPolarHBondContact CD-O 3.36Å; K19-N147 WeakPolarHBondContact CE-O 3.26Å; K19-N147 PolarHBondContact NZ-O 2.73Å; Y26-N147 WeakPolarHBondContact OH-CB 3.25Å; S35-N147 PolarHBondContact OG-OD1 2.91Å; L145-N147 VanDerWaalsContact C-N 3.26Å; L145-N147 PolarHBondContact O-N 2.93Å; N147-E150 PolarHBondContact ND2-OE2 3.12Å; N147-E150 VanDerWaalsContact O-CB 3.31Å; N147-E150 WeakPolarHBondContact O-CB 3.34Å; N147-E150 PolarHBondContact O-N 3.4Å
148W98.9Very high98.7Very high5 Ų527.8 Ų27.82%0.01914%0.138CC..Hα-helixtrans-61.8-49.3166.1-175-78.4000110.1I11 L12 T15 V20 Y88 F97 W102 W144 L145 E150I11-W148 PolarHBondContact O-NE1 3.02Å; L12-W148 WeakPolarHBondContact O-CZ2 3.49Å; T15-W148 HydrophobicContact CG2-CD2 4.04Å; T15-W148 VanDerWaalsContact CG2-CE2 3.45Å; T15-W148 HydrophobicContact CG2-CE3 4.44Å; T15-W148 HydrophobicContact CG2-CH2 3.82Å; T15-W148 HydrophobicContact CG2-CZ2 3.32Å; T15-W148 HydrophobicContact CG2-CZ3 4.37Å; T15-W148 PolarHBondContact OG1-O 3.29Å; V20-W148 HydrophobicContact CB-CZ3 4.48Å; V20-W148 HydrophobicContact CG2-CH2 3.98Å; V20-W148 HydrophobicContact CG2-CZ3 4.32Å; Y88-W148 HydrophobicContact CE2-CH2 4.38Å; F97-W148 HydrophobicContact CE2-CH2 4.17Å; W102-W148 AromaticContact CZ2-CD1 3.96Å; W102-W148 AromaticContact CZ2-CD2 3.7Å; W102-W148 HydrophobicContact CZ2-CD2 3.7Å; W102-W148 AromaticContact CZ2-CE2 3.42Å; W102-W148 VanDerWaalsContact CZ2-CE2 3.42Å; W102-W148 HydrophobicContact CZ2-CE3 4.2Å; W102-W148 HydrophobicContact CZ2-CG 4.07Å; W102-W148 HydrophobicContact CZ2-CH2 4.22Å; W102-W148 AromaticContact CZ2-CZ2 3.72Å; W102-W148 HydrophobicContact CZ2-CZ2 3.72Å; W102-W148 HydrophobicContact CZ2-CZ3 4.41Å; W102-W148 AromaticContact CZ2-NE1 3.58Å; W102-W148 AromaticContact NE1-CH2 3.67Å; W102-W148 AromaticContact NE1-CZ2 3.99Å; W102-W148 AromaticContact NE1-CZ3 3.85Å; W144-W148 HydrophobicContact CE3-CE3 4.04Å; W144-W148 HydrophobicContact CZ3-CD2 4.19Å; W144-W148 AromaticContact CZ3-CE3 3.83Å; W144-W148 HydrophobicContact CZ3-CE3 3.83Å; W144-W148 HydrophobicContact CZ3-CG 4.46Å; W144-W148 HydrophobicContact CZ3-CZ3 4.39Å; W144-W148 PolarHBondContact O-N 2.67Å; L145-W148 HydrophobicContact CD1-CB 4.15Å; L145-W148 HydrophobicContact CD1-CG 4.41Å; L145-W148 VanDerWaalsContact O-CB 3.3Å; L145-W148 WeakPolarHBondContact O-CB 3.49Å; L145-W148 PolarHBondContact O-N 2.94Å; W148-E150 PolarHBondContact O-N 3.2Å; W148-E150 VanDerWaalsContact O-N 3.14Å
149V98.5Very high98.7Very high1 Ų125.8 Ų25.81%0.00613%0.126CC..THydrogen-bonded Turntrans-74.60-178.5-61.60000114L70 L113 I115 V135 L145 T146 T151 I152 L153L70-V149 HydrophobicContact CD2-CG1 4.47Å; L113-V149 HydrophobicContact CD1-CG1 4.42Å; I115-V149 HydrophobicContact CD1-CG1 4.4Å; I115-V149 HydrophobicContact CD1-CG2 4.15Å; V135-V149 HydrophobicContact CG1-CG2 4.21Å; L145-V149 HydrophobicContact CD1-CG1 4.46Å; L145-V149 PolarHBondContact O-N 3.21Å; T146-V149 WeakPolarHBondContact O-CG2 3.27Å; V149-T151 VanDerWaalsContact C-N 3.33Å; V149-T151 PolarHBondContact O-N 3.49Å; V149-I152 HydrophobicContact CB-CG2 4.24Å; V149-I152 VanDerWaalsContact O-CG2 3.28Å; V149-I152 WeakPolarHBondContact O-CG2 3.22Å; V149-L153 HydrophobicContact CB-CD1 4.15Å; V149-L153 HydrophobicContact CB-CG 4.42Å; V149-L153 HydrophobicContact CG2-CD1 3.69Å; V149-L153 HydrophobicContact CG2-CG 4.48Å; V149-L153 VanDerWaalsContact O-CB 3.3Å; V149-L153 WeakPolarHBondContact O-CB 3.21Å; V149-L153 VanDerWaalsContact O-CG 3.24Å; V149-L153 WeakPolarHBondContact O-CG 3.4Å; V149-L153 PolarHBondContact O-N 2.69Å
150E98.8Very high98.7Very high29 Ų2925.4 Ų25.414%0.13612%0.124CC..Hα-helixtrans-56.2-46.9177.7172.7173.5-178.600111.6K19 N147 W148 I152 L153 V154 F400K19-E150 IonicContact NZ-OE2 3.99Å; K19-E150 PolarHBondContact NZ-OE2 3.02Å; N147-E150 PolarHBondContact ND2-OE2 3.12Å; N147-E150 VanDerWaalsContact O-CB 3.31Å; N147-E150 WeakPolarHBondContact O-CB 3.34Å; N147-E150 PolarHBondContact O-N 3.4Å; W148-E150 PolarHBondContact O-N 3.2Å; W148-E150 VanDerWaalsContact O-N 3.14Å; E150-I152 PolarHBondContact O-N 3.44Å; E150-L153 PolarHBondContact O-N 3.48Å; E150-V154 HydrophobicContact CG-CG2 3.86Å; E150-V154 VanDerWaalsContact O-CB 3.28Å; E150-V154 WeakPolarHBondContact O-CB 3.26Å; E150-V154 WeakPolarHBondContact O-CG2 3.43Å; E150-V154 PolarHBondContact O-N 2.78Å; E150-F400 HydrophobicContact CB-CD1 3.78Å; E150-F400 HydrophobicContact CB-CE1 3.87Å; E150-F400 HydrophobicContact CB-CG 4.33Å; E150-F400 VanDerWaalsContact CD-CD1 3.42Å; E150-F400 HydrophobicContact CG-CB 3.84Å; E150-F400 HydrophobicContact CG-CD1 3.44Å; E150-F400 VanDerWaalsContact CG-CD1 3.44Å; E150-F400 HydrophobicContact CG-CE1 4.08Å; E150-F400 HydrophobicContact CG-CG 3.77Å
151T98.6Very high98.7Very high28 Ų2822.1 Ų22.117%0.17210%0.102CC..Hα-helixtrans-61.4-47.2-173.2-50.20000111.1D16 K19 V149 Q155D16-T151 VanDerWaalsContact CG-OG1 3.28Å; D16-T151 PolarHBondContact N-OG1 3.44Å; D16-T151 WeakPolarHBondContact OD2-CG2 3.23Å; D16-T151 PolarHBondContact OD2-OG1 3.49Å; K19-T151 WeakPolarHBondContact CD-OG1 3.4Å; K19-T151 VanDerWaalsContact CE-OG1 3.25Å; K19-T151 WeakPolarHBondContact CE-OG1 3.37Å; V149-T151 VanDerWaalsContact C-N 3.33Å; V149-T151 PolarHBondContact O-N 3.49Å; T151-Q155 WeakPolarHBondContact O-CG 3.46Å
152I98.4Very high98.8Very high6 Ų616.5 Ų16.53%0.0318%0.076CC..Hα-helixtrans-70.1-39.8178.5-166.669.5000112F9 I65 Y69 L70 V149 E150 Q155F9-I152 HydrophobicContact CZ-CD1 4.47Å; I65-I152 HydrophobicContact CG2-CG1 4.15Å; Y69-I152 HydrophobicContact CD2-CD1 3.93Å; Y69-I152 HydrophobicContact CD2-CG1 4.02Å; Y69-I152 HydrophobicContact CE2-CD1 4.02Å; Y69-I152 HydrophobicContact CG-CD1 4.17Å; Y69-I152 HydrophobicContact CG-CG1 4.23Å; L70-I152 HydrophobicContact CD2-CG2 4.37Å; V149-I152 HydrophobicContact CB-CG2 4.24Å; V149-I152 VanDerWaalsContact O-CG2 3.28Å; V149-I152 WeakPolarHBondContact O-CG2 3.22Å; E150-I152 PolarHBondContact O-N 3.44Å; I152-Q155 WeakPolarHBondContact O-CB 3.14Å; I152-Q155 PolarHBondContact O-N 3.28Å
153L98.8Very high98.8Very high0 Ų016.5 Ų16.50%08%0.076CC..Hα-helixtrans-69.4-37.6179.5-72175.4000112.3L62 I65 L70 I117 F133 V135 V149 E150 Q155 I156L62-L153 HydrophobicContact CD1-CD2 3.8Å; I65-L153 HydrophobicContact CG2-CD2 4.08Å; L70-L153 HydrophobicContact CD1-CD2 4.1Å; I117-L153 HydrophobicContact CD1-CD1 4.21Å; I117-L153 HydrophobicContact CD1-CD2 4.26Å; F133-L153 HydrophobicContact CE2-CB 4.32Å; F133-L153 HydrophobicContact CE2-CD1 4.24Å; F133-L153 HydrophobicContact CZ-CB 4.21Å; V135-L153 HydrophobicContact CG2-CD1 3.69Å; V149-L153 HydrophobicContact CB-CD1 4.15Å; V149-L153 HydrophobicContact CB-CG 4.42Å; V149-L153 HydrophobicContact CG2-CD1 3.69Å; V149-L153 HydrophobicContact CG2-CG 4.48Å; V149-L153 VanDerWaalsContact O-CB 3.3Å; V149-L153 WeakPolarHBondContact O-CB 3.21Å; V149-L153 VanDerWaalsContact O-CG 3.24Å; V149-L153 WeakPolarHBondContact O-CG 3.4Å; V149-L153 PolarHBondContact O-N 2.69Å; E150-L153 PolarHBondContact O-N 3.48Å; L153-Q155 PolarHBondContact O-N 3.14Å; L153-I156 VanDerWaalsContact O-CB 3.28Å; L153-I156 WeakPolarHBondContact O-CB 3.48Å; L153-I156 WeakPolarHBondContact O-CG2 3.49Å; L153-I156 PolarHBondContact O-N 3.35Å; L153-I156 VanDerWaalsContact O-N 3.14Å
154V98.8Very high98.8Very high22 Ų2214.3 Ų14.313%0.1337%0.067CC..Hα-helixtrans-64.2-24.2-179.5167.20000111.7F37 E150 I156 W157 F400F37-V154 HydrophobicContact CD2-CG2 4.35Å; F37-V154 HydrophobicContact CE2-CG2 4.4Å; E150-V154 HydrophobicContact CG-CG2 3.86Å; E150-V154 VanDerWaalsContact O-CB 3.28Å; E150-V154 WeakPolarHBondContact O-CB 3.26Å; E150-V154 WeakPolarHBondContact O-CG2 3.43Å; E150-V154 PolarHBondContact O-N 2.78Å; V154-I156 PolarHBondContact O-N 3.4Å; V154-W157 WeakPolarHBondContact O-CB 3.45Å; V154-W157 PolarHBondContact O-N 3.39Å; V154-F400 HydrophobicContact CG2-CB 3.4Å; V154-F400 VanDerWaalsContact CG2-CB 3.4Å; V154-F400 HydrophobicContact CG2-CG 4.27Å
155Q98.9Very high98.8Very high93 Ų9314 Ų1444%0.4357%0.067SC..THydrogen-bonded Turntrans-56.5-18.9174.6-64.1-1793.800113.4T151 I152 L153 W157 Y158T151-Q155 WeakPolarHBondContact O-CG 3.46Å; I152-Q155 WeakPolarHBondContact O-CB 3.14Å; I152-Q155 PolarHBondContact O-N 3.28Å; L153-Q155 PolarHBondContact O-N 3.14Å; Q155-W157 PolarHBondContact O-N 3.41Å; Q155-Y158 PolarHBondContact O-N 3.37Å
156I98.8Very high98.8Very high0 Ų014 Ų140%07%0.067CC..THydrogen-bonded Turntrans-55.4-17.6169.1-158.5-178.9000113.6F37 F59 L62 I65 F133 L153 V154 Y158 P159 I160F37-I156 HydrophobicContact CD2-CG2 4.41Å; F37-I156 HydrophobicContact CE1-CG2 4.14Å; F37-I156 HydrophobicContact CE2-CG2 3.78Å; F37-I156 HydrophobicContact CZ-CG2 3.6Å; F59-I156 HydrophobicContact CD2-CD1 4.41Å; F59-I156 HydrophobicContact CE2-CD1 3.59Å; F59-I156 HydrophobicContact CZ-CD1 3.97Å; L62-I156 HydrophobicContact CB-CD1 3.49Å; L62-I156 VanDerWaalsContact CB-CD1 3.49Å; L62-I156 HydrophobicContact CD1-CD1 4.2Å; L62-I156 HydrophobicContact CG-CD1 4.36Å; I65-I156 HydrophobicContact CD1-CB 3.81Å; I65-I156 HydrophobicContact CD1-CG1 4.39Å; F133-I156 HydrophobicContact CE1-CD1 4.35Å; F133-I156 HydrophobicContact CE1-CG2 3.92Å; F133-I156 HydrophobicContact CZ-CG2 4.38Å; L153-I156 VanDerWaalsContact O-CB 3.28Å; L153-I156 WeakPolarHBondContact O-CB 3.48Å; L153-I156 WeakPolarHBondContact O-CG2 3.49Å; L153-I156 PolarHBondContact O-N 3.35Å; L153-I156 VanDerWaalsContact O-N 3.14Å; V154-I156 PolarHBondContact O-N 3.4Å; I156-Y158 PolarHBondContact O-N 3.22Å; I156-Y158 VanDerWaalsContact O-N 3.11Å; I156-P159 HydrophobicContact CG1-CG 4.16Å; I156-P159 VanDerWaalsContact O-CD 3.23Å; I156-P159 WeakPolarHBondContact O-CD 3.26Å; I156-P159 WeakPolarHBondContact O-CG 3.13Å; I156-I160 HydrophobicContact CD1-CD1 4.13Å; I156-I160 HydrophobicContact CG1-CD1 3.97Å; I156-I160 HydrophobicContact CG1-CG1 4.17Å; I156-I160 HydrophobicContact CG2-CD1 4.05Å; I156-I160 WeakPolarHBondContact O-CB 3.44Å; I156-I160 VanDerWaalsContact O-CG1 3.31Å; I156-I160 WeakPolarHBondContact O-CG1 3.4Å; I156-I160 PolarHBondContact O-N 3.21Å; I156-I160 VanDerWaalsContact O-N 3.14Å
157W98.9Very high98.8Very high57 Ų5714.1 Ų14.122%0.2167%0.067CC..Hα-helixtrans-51-35.8170.879.2-100.4000111.7V154 Q155 T161 L391 R393 C398V154-W157 WeakPolarHBondContact O-CB 3.45Å; V154-W157 PolarHBondContact O-N 3.39Å; Q155-W157 PolarHBondContact O-N 3.41Å; W157-T161 WeakPolarHBondContact O-CB 3.41Å; W157-T161 PolarHBondContact O-N 3.37Å; W157-T161 PolarHBondContact O-OG1 3.15Å; W157-L391 HydrophobicContact CZ3-CB 4.48Å; W157-R393 HydrophobicContact CB-CB 4.32Å; W157-R393 HydrophobicContact CB-CG 3.79Å; W157-R393 HydrophobicContact CD2-CB 3.66Å; W157-R393 HydrophobicContact CD2-CG 4.12Å; W157-R393 VanDerWaalsContact CE3-CA 3.41Å; W157-R393 HydrophobicContact CE3-CB 4.07Å; W157-R393 VanDerWaalsContact CE3-N 3.28Å; W157-R393 HydrophobicContact CG-CB 3.76Å; W157-R393 HydrophobicContact CG-CG 3.65Å; W157-R393 VanDerWaalsContact CZ3-N 3.29Å; W157-C398 HydrophobicContact CB-CB 3.47Å; W157-C398 VanDerWaalsContact CB-CB 3.47Å
158Y98.9Very high98.8Very high25 Ų2514.2 Ų14.210%0.0987%0.067CC..Hα-helixtrans-66.7-60-176.3177.4-110.4000112Q155 I156 I160 T161 V162 T204 I207 G208 L388Q155-Y158 PolarHBondContact O-N 3.37Å; I156-Y158 PolarHBondContact O-N 3.22Å; I156-Y158 VanDerWaalsContact O-N 3.11Å; Y158-I160 VanDerWaalsContact C-N 3.33Å; Y158-I160 PolarHBondContact O-N 2.73Å; Y158-T161 PolarHBondContact O-N 3.05Å; Y158-T161 VanDerWaalsContact O-N 3.09Å; Y158-V162 HydrophobicContact CD2-CG2 4.13Å; Y158-V162 HydrophobicContact CE1-CG2 4.35Å; Y158-V162 HydrophobicContact CE2-CG2 3.66Å; Y158-V162 WeakPolarHBondContact O-CG2 3.44Å; Y158-V162 PolarHBondContact O-N 3.27Å; Y158-T204 HydrophobicContact CE1-CG2 3.73Å; Y158-T204 HydrophobicContact CE2-CG2 4.16Å; Y158-T204 VanDerWaalsContact CZ-CG2 3.47Å; Y158-T204 VanDerWaalsContact OH-CG2 3.3Å; Y158-T204 WeakPolarHBondContact OH-CG2 3.25Å; Y158-I207 HydrophobicContact CD1-CB 4.26Å; Y158-I207 HydrophobicContact CD1-CG2 3.75Å; Y158-I207 HydrophobicContact CE1-CB 4.17Å; Y158-I207 HydrophobicContact CE1-CG2 4.07Å; Y158-G208 WeakPolarHBondContact OH-CA 3.4Å; Y158-L388 WeakPolarHBondContact CE2-O 2.98Å; Y158-L388 PolarHBondContact OH-O 3.17Å
159P98.9Very high98.8Very high5 Ų514 Ų143%0.0327%0.066CC..Hα-helixtrans-61.2-36.7177.322.1-32.7000113.3Y60 I156 T161 A163 I207 A211Y60-P159 HydrophobicContact CD1-CB 3.8Å; Y60-P159 HydrophobicContact CE1-CB 4.17Å; Y60-P159 WeakPolarHBondContact O-CB 3.31Å; Y60-P159 WeakPolarHBondContact O-CG 3.43Å; I156-P159 HydrophobicContact CG1-CG 4.16Å; I156-P159 VanDerWaalsContact O-CD 3.23Å; I156-P159 WeakPolarHBondContact O-CD 3.26Å; I156-P159 WeakPolarHBondContact O-CG 3.13Å; P159-T161 VanDerWaalsContact C-N 3.33Å; P159-T161 PolarHBondContact O-N 3.15Å; P159-A163 VanDerWaalsContact O-CB 3.24Å; P159-A163 WeakPolarHBondContact O-CB 3.31Å; P159-A163 PolarHBondContact O-N 2.81Å; P159-I207 HydrophobicContact CB-CG2 3.8Å; P159-I207 HydrophobicContact CG-CG2 3.94Å; P159-A211 HydrophobicContact CB-CB 4.16Å; P159-A211 WeakPolarHBondContact O-CB 3.37Å
160I98.9Very high98.8Very high0 Ų015.7 Ų15.70%07%0.074CC..Hα-helixtrans-58.6-46.8172.9-69.8171.9000110.6F37 F59 L132 I156 Y158 T164 L396F37-I160 HydrophobicContact CE1-CD1 3.76Å; F37-I160 HydrophobicContact CZ-CD1 4.14Å; F59-I160 HydrophobicContact CD2-CD1 3.89Å; F59-I160 HydrophobicContact CD2-CG1 4.41Å; F59-I160 HydrophobicContact CE2-CD1 4.27Å; L132-I160 HydrophobicContact CD1-CD1 4.33Å; I156-I160 HydrophobicContact CD1-CD1 4.13Å; I156-I160 HydrophobicContact CG1-CD1 3.97Å; I156-I160 HydrophobicContact CG1-CG1 4.17Å; I156-I160 HydrophobicContact CG2-CD1 4.05Å; I156-I160 WeakPolarHBondContact O-CB 3.44Å; I156-I160 VanDerWaalsContact O-CG1 3.31Å; I156-I160 WeakPolarHBondContact O-CG1 3.4Å; I156-I160 PolarHBondContact O-N 3.21Å; I156-I160 VanDerWaalsContact O-N 3.14Å; Y158-I160 VanDerWaalsContact C-N 3.33Å; Y158-I160 PolarHBondContact O-N 2.73Å; I160-T164 WeakPolarHBondContact O-CB 3.24Å; I160-T164 PolarHBondContact O-N 3.1Å; I160-T164 PolarHBondContact O-OG1 3.29Å; I160-L396 HydrophobicContact CG2-CD1 3.99Å
161T98.9Very high98.7Very high1 Ų115.6 Ų15.61%0.0067%0.073CC..Hα-helixtrans-70-41.7-176.1-55.50000111.7W157 Y158 P159 T164 N165 L391 L395 L396W157-T161 WeakPolarHBondContact O-CB 3.41Å; W157-T161 PolarHBondContact O-N 3.37Å; W157-T161 PolarHBondContact O-OG1 3.15Å; Y158-T161 PolarHBondContact O-N 3.05Å; Y158-T161 VanDerWaalsContact O-N 3.09Å; P159-T161 VanDerWaalsContact C-N 3.33Å; P159-T161 PolarHBondContact O-N 3.15Å; T161-T164 PolarHBondContact O-N 3.21Å; T161-N165 VanDerWaalsContact O-CB 3.23Å; T161-N165 WeakPolarHBondContact O-CB 3.19Å; T161-N165 PolarHBondContact O-N 2.76Å; T161-L391 HydrophobicContact CG2-CB 4.05Å; T161-L391 HydrophobicContact CG2-CD1 4.2Å; T161-L391 HydrophobicContact CG2-CD2 4.07Å; T161-L391 HydrophobicContact CG2-CG 4.34Å; T161-L395 HydrophobicContact CG2-CB 4.35Å; T161-L395 HydrophobicContact CG2-CD2 3.75Å; T161-L395 HydrophobicContact CG2-CG 4.45Å; T161-L396 HydrophobicContact CG2-CD1 4.21Å; T161-L396 HydrophobicContact CG2-CG 4.36Å
162V98.9Very high98.7Very high0 Ų014.9 Ų14.90%07%0.068CC..Hα-helixtrans-63.7-49.4175.9175.10000110.8Y158 T164 N165 S166 G208 A211 H212 L388 L391Y158-V162 HydrophobicContact CD2-CG2 4.13Å; Y158-V162 HydrophobicContact CE1-CG2 4.35Å; Y158-V162 HydrophobicContact CE2-CG2 3.66Å; Y158-V162 WeakPolarHBondContact O-CG2 3.44Å; Y158-V162 PolarHBondContact O-N 3.27Å; V162-T164 VanDerWaalsContact C-N 3.32Å; V162-T164 PolarHBondContact O-N 2.72Å; V162-N165 PolarHBondContact O-N 2.9Å; V162-S166 WeakPolarHBondContact O-CB 3.39Å; V162-S166 PolarHBondContact O-N 3.39Å; V162-G208 WeakPolarHBondContact CG1-O 3.37Å; V162-A211 HydrophobicContact CB-CB 3.8Å; V162-A211 HydrophobicContact CG1-CB 3.76Å; V162-H212 HydrophobicContact CG1-CB 4.41Å; V162-L388 HydrophobicContact CG1-CD2 3.66Å; V162-L391 HydrophobicContact CB-CD1 4.36Å; V162-L391 HydrophobicContact CG2-CD1 3.59Å
163A98.9Very high98.7Very high0 Ų014.6 Ų14.60%07%0.066CC..Hα-helixtrans-61.1-41.5178.900000111.5V58 P159 R167 A211 N215V58-A163 HydrophobicContact CB-CB 3.98Å; V58-A163 HydrophobicContact CG1-CB 4.04Å; P159-A163 VanDerWaalsContact O-CB 3.24Å; P159-A163 WeakPolarHBondContact O-CB 3.31Å; P159-A163 PolarHBondContact O-N 2.81Å; A163-R167 WeakPolarHBondContact O-CB 3.43Å; A163-R167 PolarHBondContact O-N 3.4Å; A163-A211 WeakPolarHBondContact CA-O 3.45Å; A163-A211 HydrophobicContact CB-CB 4.16Å; A163-N215 PolarHBondContact O-ND2 3.38Å
164T98.9Very high98.6Very high1 Ų114.6 Ų14.61%0.0067%0.066CC..Hα-helixtrans-66.8-50.7177.7-56.80000111.7Y54 K56 T57 V58 I160 T161 V162 S166 R167 E168 L396Y54-T164 HydrophobicContact CD1-CG2 3.9Å; Y54-T164 HydrophobicContact CE1-CG2 4.5Å; K56-T164 WeakPolarHBondContact O-CG2 3.34Å; T57-T164 WeakPolarHBondContact CA-OG1 3.3Å; T57-T164 HydrophobicContact CG2-CG2 4.5Å; V58-T164 PolarHBondContact N-OG1 2.96Å; I160-T164 WeakPolarHBondContact O-CB 3.24Å; I160-T164 PolarHBondContact O-N 3.1Å; I160-T164 PolarHBondContact O-OG1 3.29Å; T161-T164 PolarHBondContact O-N 3.21Å; V162-T164 VanDerWaalsContact C-N 3.32Å; V162-T164 PolarHBondContact O-N 2.72Å; T164-S166 VanDerWaalsContact C-N 3.31Å; T164-S166 PolarHBondContact O-N 3.08Å; T164-R167 WeakPolarHBondContact O-CB 3.4Å; T164-R167 PolarHBondContact O-N 3.14Å; T164-R167 VanDerWaalsContact O-N 3.09Å; T164-E168 WeakPolarHBondContact O-CG 3.3Å; T164-E168 PolarHBondContact O-N 3.34Å; T164-L396 HydrophobicContact CG2-CD1 4.36Å; T164-L396 HydrophobicContact CG2-CD2 4.5Å
165N98.8Very high98.6Very high6 Ų616.3 Ų16.33%0.0327%0.072CC..Hα-helixtrans-61.1-39.8178.5176.261.2000112.3Y54 T161 V162 Q169 L391Y54-N165 HydrophobicContact CE1-CB 4.4Å; Y54-N165 PolarHBondContact OH-OD1 3.32Å; T161-N165 VanDerWaalsContact O-CB 3.23Å; T161-N165 WeakPolarHBondContact O-CB 3.19Å; T161-N165 PolarHBondContact O-N 2.76Å; V162-N165 PolarHBondContact O-N 2.9Å; N165-Q169 PolarHBondContact ND2-NE2 2.72Å; N165-Q169 VanDerWaalsContact ND2-NE2 3.17Å; N165-Q169 WeakPolarHBondContact O-CG 3.31Å; N165-Q169 PolarHBondContact O-N 2.99Å; N165-Q169 VanDerWaalsContact O-N 3.13Å; N165-Q169 PolarHBondContact O-NE2 3.21Å; N165-Q169 VanDerWaalsContact O-NE2 3.13Å; N165-L391 HydrophobicContact CB-CD2 4.28Å
166S98.9Very high98.6Very high0 Ų012.5 Ų12.50%05%0.054CC..Hα-helixtrans-64.5-40.4173.5177.50000111.7V162 T164 Q169 K170 H212 N215 F216V162-S166 WeakPolarHBondContact O-CB 3.39Å; V162-S166 PolarHBondContact O-N 3.39Å; T164-S166 VanDerWaalsContact C-N 3.31Å; T164-S166 PolarHBondContact O-N 3.08Å; S166-Q169 PolarHBondContact O-N 2.89Å; S166-K170 PolarHBondContact O-N 3.42Å; S166-H212 PolarHBondContact OG-ND1 3.14Å; S166-N215 WeakPolarHBondContact CB-ND2 3.45Å; S166-N215 PolarHBondContact OG-ND2 3.2Å; S166-F216 WeakPolarHBondContact O-CE2 3.35Å; S166-F216 WeakPolarHBondContact OG-CD2 3.27Å; S166-F216 WeakPolarHBondContact OG-CE2 3.49Å
167R98.6Very high98.5Very high3 Ų312.6 Ų12.61%0.0115%0.054CC..Hα-helixtrans-65.9-40.1176.9-167.5176.3-176.4-87.21.1112.7V58 A163 T164 Q169 K170 K171 N215 A481 K482 L483 E487V58-R167 HydrophobicContact CG2-CB 4.11Å; V58-R167 HydrophobicContact CG2-CG 4.38Å; A163-R167 WeakPolarHBondContact O-CB 3.43Å; A163-R167 PolarHBondContact O-N 3.4Å; T164-R167 WeakPolarHBondContact O-CB 3.4Å; T164-R167 PolarHBondContact O-N 3.14Å; T164-R167 VanDerWaalsContact O-N 3.09Å; R167-Q169 VanDerWaalsContact C-N 3.33Å; R167-Q169 PolarHBondContact O-N 2.89Å; R167-K170 WeakPolarHBondContact O-CA 3.43Å; R167-K170 VanDerWaalsContact O-CB 3.3Å; R167-K170 WeakPolarHBondContact O-CB 3.45Å; R167-K170 PolarHBondContact O-N 2.77Å; R167-K170 VanDerWaalsContact O-N 3.09Å; R167-K171 PolarHBondContact O-N 2.91Å; R167-N215 VanDerWaalsContact CB-OD1 3.3Å; R167-N215 WeakPolarHBondContact CB-OD1 3.35Å; R167-N215 PolarHBondContact N-ND2 3.06Å; R167-A481 PolarHBondContact NE-O 3.03Å; R167-A481 PolarHBondContact NH2-O 3.3Å; R167-K482 PolarHBondContact NH2-O 3Å; R167-L483 HydrophobicContact CG-CD2 4.16Å; R167-E487 IonicContact CZ-OE1 2.93Å; R167-E487 IonicContact CZ-OE2 3.3Å; R167-E487 IonicContact NH1-OE1 3.05Å; R167-E487 PolarHBondContact NH1-OE1 3.16Å; R167-E487 IonicContact NH1-OE2 2.68Å; R167-E487 VanDerWaalsContact NH2-CD 3.29Å; R167-E487 IonicContact NH2-OE1 3.98Å; R167-E487 PolarHBondContact NH2-OE1 3.19Å; R167-E487 IonicContact NH2-OE2 3.12Å; R167-E487 PolarHBondContact NH2-OE2 3.33Å
168E98.1Very high98.5Very high16 Ų1612.3 Ų12.38%0.0756%0.056CC..Hα-helixtrans-65.3-36.9175.9-65.3-51.1125.600111.7V52 Y54 T164 K170 K171 I172 I359V52-E168 HydrophobicContact CG1-CB 4.26Å; Y54-E168 HydrophobicContact CD1-CG 3.79Å; Y54-E168 HydrophobicContact CE1-CB 4.24Å; Y54-E168 HydrophobicContact CE1-CG 3.79Å; T164-E168 WeakPolarHBondContact O-CG 3.3Å; T164-E168 PolarHBondContact O-N 3.34Å; E168-K170 VanDerWaalsContact C-N 3.32Å; E168-K170 PolarHBondContact O-N 3.46Å; E168-K171 VanDerWaalsContact CD-NZ 3.33Å; E168-K171 WeakPolarHBondContact O-CB 3.46Å; E168-K171 PolarHBondContact O-N 3.19Å; E168-K171 WeakPolarHBondContact OE1-CE 3.27Å; E168-K171 IonicContact OE1-NZ 3.21Å; E168-K171 PolarHBondContact OE1-NZ 2.73Å; E168-K171 WeakPolarHBondContact OE2-CD 3.3Å; E168-K171 IonicContact OE2-NZ 3.36Å; E168-K171 PolarHBondContact OE2-NZ 3.13Å; E168-K171 VanDerWaalsContact OE2-NZ 3.12Å; E168-I172 PolarHBondContact O-N 3.49Å; E168-I359 HydrophobicContact CB-CD1 3.73Å
169Q98.6Very high98.4Very high1 Ų113.2 Ų13.21%0.0056%0.061CC..Hα-helixtrans-63.7-36.7169.4-72.1172.393.600112.3N165 S166 R167 K171 I172 L173 L191 I359 L362N165-Q169 PolarHBondContact ND2-NE2 2.72Å; N165-Q169 VanDerWaalsContact ND2-NE2 3.17Å; N165-Q169 WeakPolarHBondContact O-CG 3.31Å; N165-Q169 PolarHBondContact O-N 2.99Å; N165-Q169 VanDerWaalsContact O-N 3.13Å; N165-Q169 PolarHBondContact O-NE2 3.21Å; N165-Q169 VanDerWaalsContact O-NE2 3.13Å; S166-Q169 PolarHBondContact O-N 2.89Å; R167-Q169 VanDerWaalsContact C-N 3.33Å; R167-Q169 PolarHBondContact O-N 2.89Å; Q169-K171 VanDerWaalsContact C-N 3.32Å; Q169-K171 PolarHBondContact O-N 3.07Å; Q169-I172 PolarHBondContact O-N 2.83Å; Q169-L173 WeakPolarHBondContact O-CG 3.22Å; Q169-L173 PolarHBondContact O-N 2.95Å; Q169-L191 HydrophobicContact CB-CD2 3.81Å; Q169-L191 HydrophobicContact CG-CD2 4.38Å; Q169-I359 HydrophobicContact CG-CB 3.82Å; Q169-I359 HydrophobicContact CG-CD1 3.94Å; Q169-I359 HydrophobicContact CG-CG1 3.6Å; Q169-L362 HydrophobicContact CB-CD2 3.6Å; Q169-L362 HydrophobicContact CG-CD2 3.68Å
170K98.6Very high98.4Very high36 Ų3613 Ų1316%0.1576%0.06CC..Hα-helixtrans-62.7-37.2173.6-165.6173.7-178175.50112.4S166 R167 E168 L173 A174 L187 N215 F216 L483S166-K170 PolarHBondContact O-N 3.42Å; R167-K170 WeakPolarHBondContact O-CA 3.43Å; R167-K170 VanDerWaalsContact O-CB 3.3Å; R167-K170 WeakPolarHBondContact O-CB 3.45Å; R167-K170 PolarHBondContact O-N 2.77Å; R167-K170 VanDerWaalsContact O-N 3.09Å; E168-K170 VanDerWaalsContact C-N 3.32Å; E168-K170 PolarHBondContact O-N 3.46Å; K170-L173 PolarHBondContact O-N 3.21Å; K170-A174 VanDerWaalsContact O-CB 3.22Å; K170-A174 WeakPolarHBondContact O-CB 3.26Å; K170-A174 PolarHBondContact O-N 2.73Å; K170-L187 HydrophobicContact CG-CD1 4.19Å; K170-L187 HydrophobicContact CG-CD2 4.15Å; K170-L187 HydrophobicContact CG-CG 4.2Å; K170-N215 HydrophobicContact CD-CB 4.17Å; K170-N215 WeakPolarHBondContact CD-O 3.09Å; K170-N215 WeakPolarHBondContact CE-O 3.47Å; K170-N215 PolarHBondContact NZ-O 2.98Å; K170-F216 HydrophobicContact CB-CE1 4.34Å; K170-F216 HydrophobicContact CB-CE2 3.77Å; K170-F216 HydrophobicContact CB-CZ 3.46Å; K170-F216 VanDerWaalsContact CB-CZ 3.46Å; K170-F216 HydrophobicContact CD-CE1 4.46Å; K170-F216 HydrophobicContact CD-CE2 4.44Å; K170-F216 HydrophobicContact CD-CZ 4.23Å; K170-F216 HydrophobicContact CG-CE1 4.08Å; K170-F216 HydrophobicContact CG-CE2 4.26Å; K170-F216 HydrophobicContact CG-CZ 3.7Å; K170-L483 HydrophobicContact CG-CD1 4.14Å
171K97.9Very high98.4Very high27 Ų2713.7 Ų13.712%0.1176%0.064CC..Hα-helixtrans-63.3-45.1174.8-70.6-179.1-176.2166.20112.1R167 E168 Q169 A174 K175 L483 L491R167-K171 PolarHBondContact O-N 2.91Å; E168-K171 VanDerWaalsContact CD-NZ 3.33Å; E168-K171 WeakPolarHBondContact O-CB 3.46Å; E168-K171 PolarHBondContact O-N 3.19Å; E168-K171 WeakPolarHBondContact OE1-CE 3.27Å; E168-K171 IonicContact OE1-NZ 3.21Å; E168-K171 PolarHBondContact OE1-NZ 2.73Å; E168-K171 WeakPolarHBondContact OE2-CD 3.3Å; E168-K171 IonicContact OE2-NZ 3.36Å; E168-K171 PolarHBondContact OE2-NZ 3.13Å; E168-K171 VanDerWaalsContact OE2-NZ 3.12Å; Q169-K171 VanDerWaalsContact C-N 3.32Å; Q169-K171 PolarHBondContact O-N 3.07Å; K171-A174 PolarHBondContact O-N 3.25Å; K171-K175 WeakPolarHBondContact O-CB 3.44Å; K171-K175 PolarHBondContact O-N 3.5Å; K171-L483 HydrophobicContact CD-CD2 4.48Å; K171-L483 HydrophobicContact CG-CD1 4.25Å; K171-L483 HydrophobicContact CG-CD2 3.59Å; K171-L491 HydrophobicContact CB-CD1 3.74Å; K171-L491 HydrophobicContact CB-CD2 4.35Å; K171-L491 HydrophobicContact CD-CD1 4.35Å; K171-L491 HydrophobicContact CG-CD1 3.98Å
172I97.6Very high98.3Very high14 Ų1415.2 Ų15.27%0.0728%0.081CC..Hα-helixtrans-57.2-54.6175-65.7163.2000109.1V52 E168 Q169 A174 K175 Y176 I359 L362 Q363 V366V52-I172 HydrophobicContact CG2-CD1 4.11Å; E168-I172 PolarHBondContact O-N 3.49Å; Q169-I172 PolarHBondContact O-N 2.83Å; I172-A174 VanDerWaalsContact C-N 3.33Å; I172-A174 PolarHBondContact O-N 3.47Å; I172-K175 PolarHBondContact O-N 3.37Å; I172-Y176 HydrophobicContact CG2-CD2 4.08Å; I172-Y176 HydrophobicContact CG2-CE2 4.29Å; I172-Y176 VanDerWaalsContact O-CD2 3.3Å; I172-Y176 WeakPolarHBondContact O-CD2 3.28Å; I172-Y176 PolarHBondContact O-N 3.25Å; I172-Y176 VanDerWaalsContact O-N 3.1Å; I172-I359 HydrophobicContact CD1-CD1 4.3Å; I172-I359 HydrophobicContact CD1-CG1 3.72Å; I172-L362 HydrophobicContact CG2-CG 4.44Å; I172-Q363 HydrophobicContact CD1-CB 4.25Å; I172-Q363 HydrophobicContact CG2-CB 4.36Å; I172-V366 HydrophobicContact CG2-CG2 3.79Å
173L98.6Very high98.1Very high0 Ų018.1 Ų18.10%010%0.096CC..Hα-helixtrans-58.2-43.2179.1-75.2166.3000112.8Q169 K170 L177 L187 K190 L191 F216 L362 V366 I376 F381Q169-L173 WeakPolarHBondContact O-CG 3.22Å; Q169-L173 PolarHBondContact O-N 2.95Å; K170-L173 PolarHBondContact O-N 3.21Å; L173-L177 WeakPolarHBondContact O-CB 3.5Å; L173-L177 PolarHBondContact O-N 3.42Å; L173-L187 HydrophobicContact CB-CD1 3.63Å; L173-K190 HydrophobicContact CD1-CB 3.99Å; L173-K190 HydrophobicContact CD2-CB 4.24Å; L173-K190 HydrophobicContact CD2-CD 4.48Å; L173-L191 HydrophobicContact CD1-CB 4.01Å; L173-F216 HydrophobicContact CD1-CE1 4.06Å; L173-F216 HydrophobicContact CD1-CZ 3.97Å; L173-L362 HydrophobicContact CD1-CD2 4.4Å; L173-L362 HydrophobicContact CD2-CD1 4.04Å; L173-L362 HydrophobicContact CG-CD1 4.32Å; L173-L362 HydrophobicContact CG-CD2 4.25Å; L173-V366 HydrophobicContact CD2-CG1 4.36Å; L173-I376 HydrophobicContact CD2-CG2 4.46Å; L173-F381 HydrophobicContact CD2-CD2 3.8Å; L173-F381 HydrophobicContact CD2-CE2 3.68Å
174A98.3Very high98Very high0 Ų020.4 Ų20.40%011%0.108CC..Hα-helixtrans-62.4-45.4179.300000111.9K170 K171 I172 M178 L184 L187 L483 L488K170-A174 VanDerWaalsContact O-CB 3.22Å; K170-A174 WeakPolarHBondContact O-CB 3.26Å; K170-A174 PolarHBondContact O-N 2.73Å; K171-A174 PolarHBondContact O-N 3.25Å; I172-A174 VanDerWaalsContact C-N 3.33Å; I172-A174 PolarHBondContact O-N 3.47Å; A174-M178 VanDerWaalsContact O-CB 3.28Å; A174-M178 WeakPolarHBondContact O-CB 3.36Å; A174-M178 PolarHBondContact O-N 3.02Å; A174-L184 HydrophobicContact CB-CD2 3.94Å; A174-L184 VanDerWaalsContact O-CD2 3.32Å; A174-L184 WeakPolarHBondContact O-CD2 3.34Å; A174-L187 HydrophobicContact CB-CD1 4.29Å; A174-L187 HydrophobicContact CB-CD2 3.76Å; A174-L483 HydrophobicContact CB-CD1 3.86Å; A174-L488 HydrophobicContact CB-CD2 3.82Å
175K97.6Very high98Very high58 Ų5827.9 Ų27.925%0.25214%0.143SC..Hα-helixtrans-56.7-58.2176.6177.2-179.9179.6151.50111K171 I172 L177 M178 E179 L491 L492K171-K175 WeakPolarHBondContact O-CB 3.44Å; K171-K175 PolarHBondContact O-N 3.5Å; I172-K175 PolarHBondContact O-N 3.37Å; K175-L177 VanDerWaalsContact C-N 3.33Å; K175-L177 PolarHBondContact O-N 3.21Å; K175-M178 PolarHBondContact O-N 3.28Å; K175-E179 WeakPolarHBondContact CE-OE1 3.3Å; K175-E179 WeakPolarHBondContact O-CB 3.49Å; K175-E179 WeakPolarHBondContact O-CG 3.2Å; K175-E179 PolarHBondContact O-N 3.27Å; K175-L491 HydrophobicContact CB-CB 4.35Å; K175-L491 VanDerWaalsContact CD-O 3.25Å; K175-L491 WeakPolarHBondContact CD-O 3.38Å; K175-L491 WeakPolarHBondContact CE-O 3.32Å; K175-L491 PolarHBondContact NZ-O 3.29Å; K175-L492 HydrophobicContact CG-CD2 4.5Å
176Y98.3Very high97.9Very high13 Ų1329 Ų295%0.05116%0.156CC..Hα-helixtrans-69.6-32.2-174.9-76.8-89.4000112.7I172 T180 Q363 V366 E367 K370I172-Y176 HydrophobicContact CG2-CD2 4.08Å; I172-Y176 HydrophobicContact CG2-CE2 4.29Å; I172-Y176 VanDerWaalsContact O-CD2 3.3Å; I172-Y176 WeakPolarHBondContact O-CD2 3.28Å; I172-Y176 PolarHBondContact O-N 3.25Å; I172-Y176 VanDerWaalsContact O-N 3.1Å; Y176-T180 WeakPolarHBondContact O-CB 3.43Å; Y176-T180 VanDerWaalsContact O-CG2 3.23Å; Y176-T180 WeakPolarHBondContact O-CG2 3.4Å; Y176-T180 PolarHBondContact O-N 3.14Å; Y176-T180 PolarHBondContact O-OG1 2.91Å; Y176-Q363 VanDerWaalsContact CE2-NE2 3.29Å; Y176-Q363 VanDerWaalsContact CZ-NE2 3.29Å; Y176-Q363 PolarHBondContact OH-NE2 2.76Å; Y176-V366 HydrophobicContact CD1-CB 4.09Å; Y176-V366 HydrophobicContact CD1-CG2 3.94Å; Y176-V366 HydrophobicContact CD2-CB 4.16Å; Y176-V366 HydrophobicContact CD2-CG2 3.34Å; Y176-V366 HydrophobicContact CE1-CG2 4.24Å; Y176-V366 HydrophobicContact CE2-CG2 3.7Å; Y176-V366 HydrophobicContact CG-CB 3.79Å; Y176-V366 HydrophobicContact CG-CG2 3.5Å; Y176-V366 VanDerWaalsContact CG-CG2 3.5Å; Y176-E367 HydrophobicContact CE1-CB 4.12Å; Y176-E367 WeakPolarHBondContact CE1-OE2 3.48Å; Y176-E367 PolarHBondContact OH-OE2 2.76Å; Y176-K370 HydrophobicContact CD1-CB 4.18Å; Y176-K370 HydrophobicContact CD1-CD 3.97Å; Y176-K370 HydrophobicContact CE1-CB 4.33Å; Y176-K370 HydrophobicContact CE1-CD 3.8Å
177L98.4Very high97.9Very high1 Ų129.5 Ų29.51%0.00516%0.158CC..Hα-helixtrans-64.7-49.3172.6-172.959.4000110.7L173 K175 E179 T180 S181 L187 K190 I376 E377L173-L177 WeakPolarHBondContact O-CB 3.5Å; L173-L177 PolarHBondContact O-N 3.42Å; K175-L177 VanDerWaalsContact C-N 3.33Å; K175-L177 PolarHBondContact O-N 3.21Å; L177-E179 PolarHBondContact O-N 3.16Å; L177-T180 PolarHBondContact O-N 2.87Å; L177-S181 WeakPolarHBondContact O-CB 3.43Å; L177-S181 PolarHBondContact O-N 2.77Å; L177-S181 PolarHBondContact O-OG 3.39Å; L177-L187 HydrophobicContact CD2-CB 4.14Å; L177-K190 HydrophobicContact CD2-CD 4.01Å; L177-I376 HydrophobicContact CB-CB 4.48Å; L177-I376 HydrophobicContact CB-CG2 4.45Å; L177-I376 HydrophobicContact CD1-CB 4.05Å; L177-I376 HydrophobicContact CD1-CG2 4.28Å; L177-E377 HydrophobicContact CD1-CG 4.12Å
178M97.7Very high97.8Very high52 Ų5232.5 Ų32.526%0.25617%0.172SC..Hα-helixtrans-60.8-42.7177.7-173.666.881.900112.7A174 K175 T180 G182 L184 L492A174-M178 VanDerWaalsContact O-CB 3.28Å; A174-M178 WeakPolarHBondContact O-CB 3.36Å; A174-M178 PolarHBondContact O-N 3.02Å; K175-M178 PolarHBondContact O-N 3.28Å; M178-T180 VanDerWaalsContact C-N 3.31Å; M178-T180 PolarHBondContact O-N 3.39Å; M178-G182 WeakPolarHBondContact O-CA 3.49Å; M178-G182 PolarHBondContact O-N 2.98Å; M178-L184 HydrophobicContact CB-CD2 4.11Å; M178-L184 HydrophobicContact CE-CD1 4.22Å; M178-L184 HydrophobicContact CE-CD2 4.07Å; M178-L184 HydrophobicContact CE-CG 3.74Å; M178-L492 HydrophobicContact CB-CD2 4.16Å; M178-L492 HydrophobicContact CG-CD1 3.91Å; M178-L492 HydrophobicContact CG-CD2 4.08Å
179E97.8Very high97.9Very high44 Ų4436.4 Ų36.421%0.20619%0.187CC..Hα-helixtrans-63.6-36.8177.6-74.2178.4176.500112.5K175 L177 K370 L492K175-E179 WeakPolarHBondContact CE-OE1 3.3Å; K175-E179 WeakPolarHBondContact O-CB 3.49Å; K175-E179 WeakPolarHBondContact O-CG 3.2Å; K175-E179 PolarHBondContact O-N 3.27Å; L177-E179 PolarHBondContact O-N 3.16Å; E179-K370 IonicContact OE1-NZ 2.63Å; E179-K370 WeakPolarHBondContact OE2-CD 3.39Å; E179-K370 VanDerWaalsContact OE2-CE 3.27Å; E179-K370 WeakPolarHBondContact OE2-CE 3.19Å; E179-K370 IonicContact OE2-NZ 2.94Å; E179-K370 PolarHBondContact OE2-NZ 3.2Å; E179-L492 HydrophobicContact CG-CD2 3.82Å
180T98.5Very high97.9Very high0 Ų037.1 Ų37.10%019%0.19CC..Hα-helixtrans-99.2-17.2-172.564.70000114.9Y176 L177 M178 N338 F342 K370 I376Y176-T180 WeakPolarHBondContact O-CB 3.43Å; Y176-T180 VanDerWaalsContact O-CG2 3.23Å; Y176-T180 WeakPolarHBondContact O-CG2 3.4Å; Y176-T180 PolarHBondContact O-N 3.14Å; Y176-T180 PolarHBondContact O-OG1 2.91Å; L177-T180 PolarHBondContact O-N 2.87Å; M178-T180 VanDerWaalsContact C-N 3.31Å; M178-T180 PolarHBondContact O-N 3.39Å; T180-N338 PolarHBondContact O-ND2 2.63Å; T180-F342 HydrophobicContact CG2-CD1 3.82Å; T180-F342 HydrophobicContact CG2-CD2 4.37Å; T180-F342 HydrophobicContact CG2-CE1 3.62Å; T180-F342 HydrophobicContact CG2-CE2 4.18Å; T180-F342 HydrophobicContact CG2-CG 4.23Å; T180-F342 HydrophobicContact CG2-CZ 3.81Å; T180-F342 WeakPolarHBondContact O-CD2 3.43Å; T180-K370 HydrophobicContact CG2-CB 4.25Å; T180-K370 HydrophobicContact CG2-CG 4.15Å; T180-I376 HydrophobicContact CG2-CG1 4.39Å; T180-I376 PolarHBondContact OG1-N 3.45Å; T180-I376 VanDerWaalsContact OG1-N 3.09Å
181S97.9Very high97.9Very high14 Ų1435.4 Ų35.410%0.09818%0.183CC..Hα-helixtrans-122.7-24.1177.979.50000114.1L177 N183 E377L177-S181 WeakPolarHBondContact O-CB 3.43Å; L177-S181 PolarHBondContact O-N 2.77Å; L177-S181 PolarHBondContact O-OG 3.39Å; S181-N183 VanDerWaalsContact C-N 3.35Å; S181-N183 PolarHBondContact OG-N 3Å; S181-N183 PolarHBondContact OG-O 2.9Å; S181-N183 VanDerWaalsContact OG-O 3.07Å; S181-E377 VanDerWaalsContact CB-CD 3.46Å; S181-E377 VanDerWaalsContact CB-OE2 3.32Å; S181-E377 WeakPolarHBondContact CB-OE2 3.47Å
182G96.8Very high97.9Very high34 Ų3435.1 Ų35.135%0.35118%0.182SC..SBendtrans80.68.6-174.300000115.2M178M178-G182 WeakPolarHBondContact O-CA 3.49Å; M178-G182 PolarHBondContact O-N 2.98Å
183N95.9Very high98Very high60 Ų6034.5 Ų34.532%0.32118%0.179SC..SBendtrans-148.5-179.9174.465.963.3000111.1S181 E185S181-N183 VanDerWaalsContact C-N 3.35Å; S181-N183 PolarHBondContact OG-N 3Å; S181-N183 PolarHBondContact OG-O 2.9Å; S181-N183 VanDerWaalsContact OG-O 3.07Å; N183-E185 VanDerWaalsContact OD1-CB 3.24Å; N183-E185 WeakPolarHBondContact OD1-CB 3.26Å; N183-E185 PolarHBondContact OD1-N 3.45Å
184L97.1Very high98Very high48 Ų4836.3 Ų36.325%0.25119%0.187SC..  trans-11420.3178.2-62.5-178.9000113.2A174 M178 G186 L187 L488A174-L184 HydrophobicContact CB-CD2 3.94Å; A174-L184 VanDerWaalsContact O-CD2 3.32Å; A174-L184 WeakPolarHBondContact O-CD2 3.34Å; M178-L184 HydrophobicContact CB-CD2 4.11Å; M178-L184 HydrophobicContact CE-CD1 4.22Å; M178-L184 HydrophobicContact CE-CD2 4.07Å; M178-L184 HydrophobicContact CE-CG 3.74Å; L184-G186 PolarHBondContact O-N 3.4Å; L184-L187 HydrophobicContact CB-CB 4.41Å; L184-L187 HydrophobicContact CB-CD2 4.37Å; L184-L187 HydrophobicContact CD1-CD2 4.32Å; L184-L187 HydrophobicContact CD2-CD2 4.32Å; L184-L187 WeakPolarHBondContact O-CB 3.24Å; L184-L187 PolarHBondContact O-N 3.2Å; L184-L187 VanDerWaalsContact O-N 3.14Å; L184-L488 HydrophobicContact CD1-CD1 3.8Å; L184-L488 HydrophobicContact CD1-CD2 4.15Å
185E97.1Very high98Very high159 Ų15936.3 Ų36.374%0.74319%0.187SC*.THydrogen-bonded Turntrans-60130.2-177.3-169.8176174.400111.3N183 L187N183-E185 VanDerWaalsContact OD1-CB 3.24Å; N183-E185 WeakPolarHBondContact OD1-CB 3.26Å; N183-E185 PolarHBondContact OD1-N 3.45Å; E185-L187 VanDerWaalsContact C-N 3.25Å; E185-L187 PolarHBondContact O-N 3.04Å
186G97Very high98.1Very high29 Ų2937.2 Ų37.230%0.29919%0.189SC..THydrogen-bonded Turntrans77.10.2-179.600000115.3L184 E188 Y189 K190L184-G186 PolarHBondContact O-N 3.4Å; G186-E188 PolarHBondContact O-N 2.78Å; G186-E188 VanDerWaalsContact O-N 3.13Å; G186-Y189 PolarHBondContact O-N 2.92Å; G186-K190 PolarHBondContact O-N 2.92Å
187L98.6Very high98.1Very high10 Ų1046.9 Ų46.95%0.05223%0.225CC..G310 helixtrans-51.3-38178.7175.163.6000112.3K170 L173 A174 L177 L184 E185 Y189 K190 F216K170-L187 HydrophobicContact CG-CD1 4.19Å; K170-L187 HydrophobicContact CG-CD2 4.15Å; K170-L187 HydrophobicContact CG-CG 4.2Å; L173-L187 HydrophobicContact CB-CD1 3.63Å; A174-L187 HydrophobicContact CB-CD1 4.29Å; A174-L187 HydrophobicContact CB-CD2 3.76Å; L177-L187 HydrophobicContact CD2-CB 4.14Å; L184-L187 HydrophobicContact CB-CB 4.41Å; L184-L187 HydrophobicContact CB-CD2 4.37Å; L184-L187 HydrophobicContact CD1-CD2 4.32Å; L184-L187 HydrophobicContact CD2-CD2 4.32Å; L184-L187 WeakPolarHBondContact O-CB 3.24Å; L184-L187 PolarHBondContact O-N 3.2Å; L184-L187 VanDerWaalsContact O-N 3.14Å; E185-L187 VanDerWaalsContact C-N 3.25Å; E185-L187 PolarHBondContact O-N 3.04Å; L187-Y189 PolarHBondContact O-N 3.29Å; L187-Y189 VanDerWaalsContact O-N 3.13Å; L187-K190 PolarHBondContact O-N 2.91Å; L187-F216 WeakPolarHBondContact O-CD1 3.22Å; L187-F216 VanDerWaalsContact O-CE1 3.29Å; L187-F216 WeakPolarHBondContact O-CE1 3.35Å
188E98.3Very high98Very high66 Ų6648.5 Ų48.531%0.30824%0.242SC..G310 helixtrans-62.6-16.1179.862.3-101-118.900114.7G186 F216 K217G186-E188 PolarHBondContact O-N 2.78Å; G186-E188 VanDerWaalsContact O-N 3.13Å; E188-F216 CarbonylContact O-C 3.37Å; E188-F216 WeakPolarHBondContact O-CA 3.32Å; E188-F216 WeakPolarHBondContact O-CB 3.29Å; E188-K217 HydrophobicContact CB-CD 4.27Å; E188-K217 HydrophobicContact CB-CG 4.23Å; E188-K217 HydrophobicContact CG-CD 4.15Å; E188-K217 PolarHBondContact O-N 3.22Å
189Y98.7Very high98.1Very high99 Ų9947 Ų4739%0.38824%0.236SC..G310 helixtrans-114.44179.4-62.9-74.3000112.9G186 L187 L191 K217 F241G186-Y189 PolarHBondContact O-N 2.92Å; L187-Y189 PolarHBondContact O-N 3.29Å; L187-Y189 VanDerWaalsContact O-N 3.13Å; Y189-L191 PolarHBondContact O-N 2.82Å; Y189-K217 HydrophobicContact CD1-CB 3.97Å; Y189-K217 HydrophobicContact CE1-CB 3.42Å; Y189-K217 VanDerWaalsContact CE1-CB 3.42Å; Y189-K217 HydrophobicContact CE1-CD 4.46Å; Y189-K217 HydrophobicContact CE2-CD 4.49Å; Y189-F241 HydrophobicContact CE1-CB 4.32Å; Y189-F241 HydrophobicContact CE1-CD2 4.08Å
190K98.8Very high98.1Very high15 Ų1549.1 Ų49.17%0.06526%0.255CS..SBendtrans-78.4-13.4-175.4-77.4-164.7-179.5-73.50115.6L173 L177 G186 L187 I376 I379 F381L173-K190 HydrophobicContact CD1-CB 3.99Å; L173-K190 HydrophobicContact CD2-CB 4.24Å; L173-K190 HydrophobicContact CD2-CD 4.48Å; L177-K190 HydrophobicContact CD2-CD 4.01Å; G186-K190 PolarHBondContact O-N 2.92Å; L187-K190 PolarHBondContact O-N 2.91Å; K190-I376 HydrophobicContact CD-CG2 4.09Å; K190-I376 PolarHBondContact NZ-O 3.25Å; K190-I379 PolarHBondContact NZ-O 2.96Å; K190-F381 PolarHBondContact O-N 2.97Å
191L98.9Very high98.1Very high0 Ų051.5 Ų51.50%027%0.272CS..EExtended strand (participates in β ladder)trans-128.7110.2171.1-174.464.4000108.6Q169 L173 Y189 H212 F216 F381 L387Q169-L191 HydrophobicContact CB-CD2 3.81Å; Q169-L191 HydrophobicContact CG-CD2 4.38Å; L173-L191 HydrophobicContact CD1-CB 4.01Å; Y189-L191 PolarHBondContact O-N 2.82Å; L191-H212 PolarHBondContact O-CE1 3.34Å; L191-H212 VanDerWaalsContact O-CE1 3.31Å; L191-H212 PolarHBondContact O-NE2 3.33Å; L191-H212 VanDerWaalsContact O-NE2 3.13Å; L191-F216 HydrophobicContact CB-CD1 3.98Å; L191-F216 HydrophobicContact CB-CD2 4.22Å; L191-F216 HydrophobicContact CB-CE1 3.66Å; L191-F216 HydrophobicContact CB-CE2 3.9Å; L191-F216 HydrophobicContact CB-CG 4.25Å; L191-F216 HydrophobicContact CB-CZ 3.6Å; L191-F216 HydrophobicContact CD2-CD2 4.44Å; L191-F216 HydrophobicContact CD2-CE2 3.84Å; L191-F216 HydrophobicContact CD2-CZ 4.11Å; L191-F216 HydrophobicContact CG-CE2 4.45Å; L191-F381 CarbonylContact C-O 3.56Å; L191-F381 WeakPolarHBondContact CA-O 3.27Å; L191-F381 HydrophobicContact CD1-CB 3.87Å; L191-L387 HydrophobicContact CD2-CD1 4.28Å
192H98.9Very high98.2Very high22 Ų2257 Ų5710%0.10230%0.296CS..EExtended strand (participates in β ladder)trans-101.1135.1-178.2-157.897.6000110F194 G218 T219 D220 F241 F381 G382 S383H192-F194 HydrophobicContact CB-CE1 4.38Å; H192-F194 AromaticContact CD2-CD1 3.59Å; H192-F194 AromaticContact CD2-CE1 3.32Å; H192-F194 WeakPolarHBondContact CD2-CE1 3.08Å; H192-F194 PolarHBondContact O-N 3.35Å; H192-G218 VanDerWaalsContact ND1-CA 3.27Å; H192-G218 WeakPolarHBondContact ND1-CA 3.23Å; H192-T219 PolarHBondContact CE1-N 3.38Å; H192-T219 VanDerWaalsContact NE2-C 3.26Å; H192-T219 PolarHBondContact NE2-N 2.83Å; H192-D220 IonicContact CD2-OD1 3.42Å; H192-D220 IonicContact CE1-OD1 3.91Å; H192-D220 PolarHBondContact NE2-N 2.96Å; H192-D220 IonicContact NE2-OD1 2.71Å; H192-D220 PolarHBondContact NE2-OD1 2.88Å; H192-F241 PolarHBondContact CE1-O 3Å; H192-F381 PolarHBondContact N-O 3.46Å; H192-G382 WeakPolarHBondContact O-CA 3.4Å; H192-S383 PolarHBondContact O-N 3.45Å
193D98.9Very high98.2Very high0 Ų058.5 Ų58.50%029%0.294CS..EExtended strand (participates in β ladder)trans-80.9113.8178.3166.725.3000112G195 A209 H212 G218 T219 D220 T221 L387 L388D193-G195 WeakPolarHBondContact OD1-CA 3.44Å; D193-G195 PolarHBondContact OD1-N 2.65Å; D193-A209 VanDerWaalsContact OD2-CB 3.31Å; D193-A209 WeakPolarHBondContact OD2-CB 3.3Å; D193-H212 VanDerWaalsContact CB-CD2 3.45Å; D193-H212 WeakPolarHBondContact CB-CD2 3.46Å; D193-G218 PolarHBondContact N-O 3.3Å; D193-T219 PolarHBondContact OD2-OG1 2.96Å; D193-D220 PolarHBondContact O-N 2.9Å; D193-T221 PolarHBondContact OD1-OG1 3.46Å; D193-T221 VanDerWaalsContact OD1-OG1 3.08Å; D193-T221 WeakPolarHBondContact OD2-CB 3.41Å; D193-T221 PolarHBondContact OD2-OG1 3.18Å; D193-L387 HydrophobicContact CB-CD2 3.82Å; D193-L388 VanDerWaalsContact OD1-CD1 3.26Å; D193-L388 WeakPolarHBondContact OD1-CD1 3.49Å
194F98.6Very high98.4Very high39 Ų3956.7 Ų56.717%0.17129%0.285CS..  trans-106.516.2173.8-71.2-13.7000112.5H192 Y196 D220 I352 S383H192-F194 HydrophobicContact CB-CE1 4.38Å; H192-F194 AromaticContact CD2-CD1 3.59Å; H192-F194 AromaticContact CD2-CE1 3.32Å; H192-F194 WeakPolarHBondContact CD2-CE1 3.08Å; H192-F194 PolarHBondContact O-N 3.35Å; F194-Y196 PolarHBondContact O-N 2.99Å; F194-D220 HydrophobicContact CD1-CB 4.42Å; F194-I352 HydrophobicContact CE2-CD1 4.46Å; F194-I352 HydrophobicContact CZ-CD1 3.96Å; F194-S383 PolarHBondContact N-O 3.08Å
195G98.6Very high98.5Very high0 Ų054.4 Ų54.40%027%0.273CS..  trans-83-8.8-163.900000116D193 R197 G198 V199D193-G195 WeakPolarHBondContact OD1-CA 3.44Å; D193-G195 PolarHBondContact OD1-N 2.65Å; G195-R197 VanDerWaalsContact C-N 3.35Å; G195-R197 PolarHBondContact O-N 2.87Å; G195-G198 WeakPolarHBondContact O-CA 3.44Å; G195-G198 PolarHBondContact O-N 3.1Å; G195-V199 PolarHBondContact O-N 3.26Å
196Y98.8Very high98.6Very high76 Ų7646.9 Ų46.930%0.29824%0.239SC..G310 helixtrans-51.3-49.4-169.9-156.3167000113.3F194 G198 V199 Q202 A205 T221 V222 A223F194-Y196 PolarHBondContact O-N 2.99Å; Y196-G198 VanDerWaalsContact C-N 3.27Å; Y196-G198 PolarHBondContact O-N 2.69Å; Y196-V199 VanDerWaalsContact O-CG2 3.25Å; Y196-V199 WeakPolarHBondContact O-CG2 3.3Å; Y196-Q202 VanDerWaalsContact CE2-OE1 3.27Å; Y196-Q202 PolarHBondContact OH-OE1 3.43Å; Y196-A205 HydrophobicContact CD2-CB 3.39Å; Y196-A205 HydrophobicContact CE2-CB 3.38Å; Y196-A205 HydrophobicContact CG-CB 4.48Å; Y196-T221 WeakPolarHBondContact CB-OG1 3.46Å; Y196-T221 HydrophobicContact CD1-CG2 4.04Å; Y196-T221 HydrophobicContact CD2-CG2 3.89Å; Y196-T221 HydrophobicContact CG-CG2 3.64Å; Y196-T221 PolarHBondContact N-OG1 2.81Å; Y196-T221 VanDerWaalsContact N-OG1 3.11Å; Y196-V222 HydrophobicContact CE1-CB 4.44Å; Y196-A223 HydrophobicContact CE1-CB 4.42Å; Y196-A223 HydrophobicContact CE2-CB 4.13Å
197R97.9Very high98.7Very high217 Ų21746.7 Ų46.782%0.81923%0.23SC*.G310 helixtrans-74.5-16.3-179.867.1179.370.3-169.32.2114.1G195 E247G195-R197 VanDerWaalsContact C-N 3.35Å; G195-R197 PolarHBondContact O-N 2.87Å; R197-E247 IonicContact NH2-OE2 2.91Å
198G97.9Very high98.7Very high35 Ų3546.2 Ų46.236%0.36123%0.228SC..G310 helixtrans-95.6-4.3-173.400000114.6G195 Y196 Q389G195-G198 WeakPolarHBondContact O-CA 3.44Å; G195-G198 PolarHBondContact O-N 3.1Å; Y196-G198 VanDerWaalsContact C-N 3.27Å; Y196-G198 PolarHBondContact O-N 2.69Å; G198-Q389 VanDerWaalsContact O-CB 3.32Å; G198-Q389 WeakPolarHBondContact O-CB 3.32Å; G198-Q389 VanDerWaalsContact O-CG 3.31Å; G198-Q389 WeakPolarHBondContact O-CG 3.48Å
199V98.8Very high98.7Very high21 Ų2143 Ų4313%0.12721%0.213CC..SBendtrans-91.2161.4178.6-66.50000113G195 Y196 S201 T204 A205 L388 Q389G195-V199 PolarHBondContact O-N 3.26Å; Y196-V199 VanDerWaalsContact O-CG2 3.25Å; Y196-V199 WeakPolarHBondContact O-CG2 3.3Å; V199-S201 WeakPolarHBondContact CG2-O 3.45Å; V199-S201 PolarHBondContact O-N 2.95Å; V199-T204 HydrophobicContact CB-CG2 3.83Å; V199-T204 HydrophobicContact CG1-CG2 4.1Å; V199-A205 HydrophobicContact CG2-CB 3.63Å; V199-L388 HydrophobicContact CG1-CB 3.44Å; V199-L388 VanDerWaalsContact CG1-CB 3.44Å; V199-L388 HydrophobicContact CG1-CD1 4.06Å; V199-L388 HydrophobicContact CG1-CG 4.43Å; V199-Q389 VanDerWaalsContact CA-OE1 3.3Å
200S98.5Very high98.7Very high87 Ų8738.4 Ų38.461%0.60820%0.195SC*.SBendtrans-73.3-17.1-175.859.80000116.1T204S200-T204 PolarHBondContact OG-OG1 2.99Å; S200-T204 VanDerWaalsContact OG-OG1 3.14Å
201S98.7Very high98.7Very high50 Ų5037.7 Ų37.735%0.3519%0.192SC..  trans-162.4166.3179.880.20000112.6V199 E203 T204 A205V199-S201 WeakPolarHBondContact CG2-O 3.45Å; V199-S201 PolarHBondContact O-N 2.95Å; S201-E203 VanDerWaalsContact C-N 3.31Å; S201-E203 PolarHBondContact O-N 3.34Å; S201-E203 PolarHBondContact OG-N 3.47Å; S201-T204 WeakPolarHBondContact O-CB 3.32Å; S201-T204 PolarHBondContact O-N 2.97Å; S201-T204 WeakPolarHBondContact OG-CB 3.28Å; S201-T204 PolarHBondContact OG-N 3.49Å; S201-T204 PolarHBondContact OG-OG1 3.2Å; S201-A205 PolarHBondContact O-N 3.35Å
202Q98.7Very high98.7Very high129 Ų12937.7 Ų37.760%0.60319%0.192SC*.Hα-helixtrans-63.1-36.2173.3-71.2-62-43.200112.9Y196 A205 G206Y196-Q202 VanDerWaalsContact CE2-OE1 3.27Å; Y196-Q202 PolarHBondContact OH-OE1 3.43Å; Q202-A205 WeakPolarHBondContact O-CB 3.22Å; Q202-A205 PolarHBondContact O-N 3.13Å; Q202-G206 PolarHBondContact O-N 2.92Å; Q202-G206 VanDerWaalsContact O-N 3.16Å
203E98.6Very high98.7Very high66 Ų6636.7 Ų36.731%0.30819%0.188SC..Hα-helixtrans-68.9-42.5176.1174.2155.8-128.600111.2Y64 K68 Y69 S201 A205 G206 I207Y64-E203 PolarHBondContact OH-OE1 2.88Å; K68-E203 WeakPolarHBondContact CE-OE1 3.43Å; K68-E203 IonicContact NZ-OE1 3.29Å; K68-E203 PolarHBondContact NZ-OE1 2.98Å; K68-E203 IonicContact NZ-OE2 3.74Å; Y69-E203 PolarHBondContact OH-OE1 3.47Å; Y69-E203 PolarHBondContact OH-OE2 3.09Å; S201-E203 VanDerWaalsContact C-N 3.31Å; S201-E203 PolarHBondContact O-N 3.34Å; S201-E203 PolarHBondContact OG-N 3.47Å; E203-A205 VanDerWaalsContact C-N 3.28Å; E203-A205 PolarHBondContact O-N 3.24Å; E203-G206 PolarHBondContact O-N 3.09Å; E203-I207 HydrophobicContact CG-CD1 3.64Å; E203-I207 HydrophobicContact CG-CG1 4.41Å; E203-I207 VanDerWaalsContact O-CG1 3.3Å; E203-I207 WeakPolarHBondContact O-CG1 3.4Å; E203-I207 PolarHBondContact O-N 3.13Å
204T98.9Very high98.7Very high22 Ų2237 Ų3714%0.13519%0.189CC..Hα-helixtrans-56.3-43.9172-53.20000110.7Y158 V199 S200 S201 G206 I207 G208Y158-T204 HydrophobicContact CE1-CG2 3.73Å; Y158-T204 HydrophobicContact CE2-CG2 4.16Å; Y158-T204 VanDerWaalsContact CZ-CG2 3.47Å; Y158-T204 VanDerWaalsContact OH-CG2 3.3Å; Y158-T204 WeakPolarHBondContact OH-CG2 3.25Å; V199-T204 HydrophobicContact CB-CG2 3.83Å; V199-T204 HydrophobicContact CG1-CG2 4.1Å; S200-T204 PolarHBondContact OG-OG1 2.99Å; S200-T204 VanDerWaalsContact OG-OG1 3.14Å; S201-T204 WeakPolarHBondContact O-CB 3.32Å; S201-T204 PolarHBondContact O-N 2.97Å; S201-T204 WeakPolarHBondContact OG-CB 3.28Å; S201-T204 PolarHBondContact OG-N 3.49Å; S201-T204 PolarHBondContact OG-OG1 3.2Å; T204-G206 PolarHBondContact O-N 2.93Å; T204-I207 PolarHBondContact O-N 3.42Å; T204-G208 PolarHBondContact O-N 3.39Å
205A98.9Very high98.7Very high0 Ų035.5 Ų35.50%018%0.183CC..Hα-helixtrans-58.1-48.9178.300000111.7Y196 V199 S201 Q202 E203 A209 T221 A223Y196-A205 HydrophobicContact CD2-CB 3.39Å; Y196-A205 HydrophobicContact CE2-CB 3.38Å; Y196-A205 HydrophobicContact CG-CB 4.48Å; V199-A205 HydrophobicContact CG2-CB 3.63Å; S201-A205 PolarHBondContact O-N 3.35Å; Q202-A205 WeakPolarHBondContact O-CB 3.22Å; Q202-A205 PolarHBondContact O-N 3.13Å; E203-A205 VanDerWaalsContact C-N 3.28Å; E203-A205 PolarHBondContact O-N 3.24Å; A205-A209 WeakPolarHBondContact O-CB 3.3Å; A205-A209 PolarHBondContact O-N 2.91Å; A205-T221 HydrophobicContact CB-CG2 3.87Å; A205-A223 HydrophobicContact CB-CB 4.08Å
206G98.9Very high98.8Very high2 Ų235.6 Ų35.62%0.02118%0.184CC..Hα-helixtrans-63.4-46.8179.400000112.9Q202 E203 T204 S210 G224Q202-G206 PolarHBondContact O-N 2.92Å; Q202-G206 VanDerWaalsContact O-N 3.16Å; E203-G206 PolarHBondContact O-N 3.09Å; T204-G206 PolarHBondContact O-N 2.93Å; G206-S210 VanDerWaalsContact O-CB 3.29Å; G206-S210 WeakPolarHBondContact O-CB 3.42Å; G206-S210 PolarHBondContact O-N 3.48Å; G206-S210 VanDerWaalsContact O-N 3.09Å; G206-S210 PolarHBondContact O-OG 2.94Å; G206-G224 WeakPolarHBondContact O-CA 3.3Å
207I98.9Very high98.7Very high24 Ų2435.1 Ų35.112%0.12318%0.183CC..Hα-helixtrans-65.7-48.2-179.7-61.8164.5000110.2Y64 Y158 P159 E203 T204 S210 A211Y64-I207 HydrophobicContact CD1-CD1 4.15Å; Y64-I207 HydrophobicContact CD1-CG1 4.21Å; Y64-I207 HydrophobicContact CE1-CD1 3.53Å; Y64-I207 HydrophobicContact CE1-CG1 3.82Å; Y64-I207 HydrophobicContact CE2-CG1 4.35Å; Y158-I207 HydrophobicContact CD1-CB 4.26Å; Y158-I207 HydrophobicContact CD1-CG2 3.75Å; Y158-I207 HydrophobicContact CE1-CB 4.17Å; Y158-I207 HydrophobicContact CE1-CG2 4.07Å; P159-I207 HydrophobicContact CB-CG2 3.8Å; P159-I207 HydrophobicContact CG-CG2 3.94Å; E203-I207 HydrophobicContact CG-CD1 3.64Å; E203-I207 HydrophobicContact CG-CG1 4.41Å; E203-I207 VanDerWaalsContact O-CG1 3.3Å; E203-I207 WeakPolarHBondContact O-CG1 3.4Å; E203-I207 PolarHBondContact O-N 3.13Å; T204-I207 PolarHBondContact O-N 3.42Å; I207-S210 PolarHBondContact O-N 2.86Å; I207-S210 PolarHBondContact O-OG 3.45Å; I207-A211 PolarHBondContact O-N 3.09Å
208G98.9Very high98.8Very high0 Ų024.8 Ų24.80%014%0.144CC..Hα-helixtrans-63.5-50.4-177.400000112.4Y158 V162 T204 S210 A211 H212Y158-G208 WeakPolarHBondContact OH-CA 3.4Å; V162-G208 WeakPolarHBondContact CG1-O 3.37Å; T204-G208 PolarHBondContact O-N 3.39Å; G208-S210 VanDerWaalsContact C-N 3.29Å; G208-S210 PolarHBondContact O-N 3.4Å; G208-A211 WeakPolarHBondContact O-CB 3.24Å; G208-A211 PolarHBondContact O-N 2.92Å; G208-A211 VanDerWaalsContact O-N 3.07Å; G208-H212 PolarHBondContact O-N 3.36Å
209A98.9Very high98.8Very high0 Ų023.4 Ų23.40%013%0.129CC..Hα-helixtrans-61.3-38.8177.400000112D193 A205 A211 H212 L213 T221D193-A209 VanDerWaalsContact OD2-CB 3.31Å; D193-A209 WeakPolarHBondContact OD2-CB 3.3Å; A205-A209 WeakPolarHBondContact O-CB 3.3Å; A205-A209 PolarHBondContact O-N 2.91Å; A209-A211 VanDerWaalsContact C-N 3.29Å; A209-A211 PolarHBondContact O-N 3.14Å; A209-H212 PolarHBondContact O-N 3.11Å; A209-L213 WeakPolarHBondContact O-CG 3.44Å; A209-L213 PolarHBondContact O-N 3Å; A209-T221 HydrophobicContact CB-CG2 3.49Å; A209-T221 VanDerWaalsContact CB-CG2 3.49Å
210S98.9Very high98.8Very high2 Ų225.4 Ų25.41%0.01414%0.139CC..Hα-helixtrans-62.8-37174.978.30000112.7Y60 G206 I207 G208 L213 V214 F474Y60-S210 WeakPolarHBondContact OH-CB 3.45Å; Y60-S210 PolarHBondContact OH-OG 3.45Å; G206-S210 VanDerWaalsContact O-CB 3.29Å; G206-S210 WeakPolarHBondContact O-CB 3.42Å; G206-S210 PolarHBondContact O-N 3.48Å; G206-S210 VanDerWaalsContact O-N 3.09Å; G206-S210 PolarHBondContact O-OG 2.94Å; I207-S210 PolarHBondContact O-N 2.86Å; I207-S210 PolarHBondContact O-OG 3.45Å; G208-S210 VanDerWaalsContact C-N 3.29Å; G208-S210 PolarHBondContact O-N 3.4Å; S210-L213 PolarHBondContact O-N 3.01Å; S210-V214 PolarHBondContact O-N 3.22Å; S210-F474 WeakPolarHBondContact O-CZ 3.46Å
211A98.9Very high98.8Very high0 Ų021.2 Ų21.20%011%0.11CC..Hα-helixtrans-70.5-36.9177.700000112.2Y60 P159 V162 A163 I207 G208 A209 V214Y60-A211 HydrophobicContact CD1-CB 3.71Å; Y60-A211 VanDerWaalsContact CE1-CA 3.4Å; Y60-A211 HydrophobicContact CE1-CB 3.68Å; P159-A211 HydrophobicContact CB-CB 4.16Å; P159-A211 WeakPolarHBondContact O-CB 3.37Å; V162-A211 HydrophobicContact CB-CB 3.8Å; V162-A211 HydrophobicContact CG1-CB 3.76Å; A163-A211 WeakPolarHBondContact CA-O 3.45Å; A163-A211 HydrophobicContact CB-CB 4.16Å; I207-A211 PolarHBondContact O-N 3.09Å; G208-A211 WeakPolarHBondContact O-CB 3.24Å; G208-A211 PolarHBondContact O-N 2.92Å; G208-A211 VanDerWaalsContact O-N 3.07Å; A209-A211 VanDerWaalsContact C-N 3.29Å; A209-A211 PolarHBondContact O-N 3.14Å; A211-V214 WeakPolarHBondContact O-CB 3.48Å; A211-V214 PolarHBondContact O-N 3.31Å
212H98.9Very high98.9Very high0 Ų023.4 Ų23.40%012%0.12CC..Hα-helixtrans-63.7-42.7172.1171.961.9000111.8V162 S166 L191 D193 G208 A209 V214 N215 F216 G218V162-H212 HydrophobicContact CG1-CB 4.41Å; S166-H212 PolarHBondContact OG-ND1 3.14Å; L191-H212 PolarHBondContact O-CE1 3.34Å; L191-H212 VanDerWaalsContact O-CE1 3.31Å; L191-H212 PolarHBondContact O-NE2 3.33Å; L191-H212 VanDerWaalsContact O-NE2 3.13Å; D193-H212 VanDerWaalsContact CB-CD2 3.45Å; D193-H212 WeakPolarHBondContact CB-CD2 3.46Å; G208-H212 PolarHBondContact O-N 3.36Å; A209-H212 PolarHBondContact O-N 3.11Å; H212-V214 PolarHBondContact O-N 3Å; H212-V214 VanDerWaalsContact O-N 3.08Å; H212-N215 PolarHBondContact O-N 3.42Å; H212-F216 AromaticContact CE1-CD2 3.29Å; H212-F216 WeakPolarHBondContact CE1-CD2 3.49Å; H212-F216 AromaticContact CE1-CG 3.7Å; H212-F216 AromaticContact ND1-CD2 3.75Å; H212-F216 PolarHBondContact O-N 2.85Å; H212-G218 PolarHBondContact NE2-O 2.49Å
213L98.9Very high98.9Very high0 Ų018.2 Ų18.20%010%0.1CC..THydrogen-bonded Turntrans-64.3-11.9179.3-74.7174.4000114A209 S210 N215 F216 T219 I228 P239 F474 R478A209-L213 WeakPolarHBondContact O-CG 3.44Å; A209-L213 PolarHBondContact O-N 3Å; S210-L213 PolarHBondContact O-N 3.01Å; L213-N215 PolarHBondContact O-N 3.01Å; L213-F216 CarbonylContact C-O 3.51Å; L213-F216 WeakPolarHBondContact CA-O 3.47Å; L213-F216 WeakPolarHBondContact CD2-O 3.43Å; L213-T219 HydrophobicContact CD1-CG2 4.03Å; L213-T219 HydrophobicContact CD2-CG2 3.96Å; L213-T219 HydrophobicContact CG-CG2 4.28Å; L213-I228 HydrophobicContact CB-CD1 3.99Å; L213-I228 HydrophobicContact CD1-CD1 3.59Å; L213-I228 HydrophobicContact CG-CD1 4.48Å; L213-P239 HydrophobicContact CD1-CB 4.27Å; L213-P239 HydrophobicContact CD1-CG 4.01Å; L213-F474 HydrophobicContact CB-CE1 4.02Å; L213-F474 HydrophobicContact CB-CZ 3.83Å; L213-R478 PolarHBondContact O-NE 2.91Å; L213-R478 PolarHBondContact O-NH2 2.93Å
214V98.9Very high98.9Very high6 Ų615.1 Ų15.14%0.0369%0.085CC..THydrogen-bonded Turntrans-59.5-31.8167.6175.90000110.7V58 Y60 S210 A211 H212 F474 V477 A481V58-V214 HydrophobicContact CG1-CG1 4.31Å; Y60-V214 HydrophobicContact CD1-CG2 4.11Å; Y60-V214 HydrophobicContact CD2-CG2 3.99Å; Y60-V214 HydrophobicContact CE1-CG2 4.27Å; Y60-V214 HydrophobicContact CE2-CG2 4.11Å; Y60-V214 HydrophobicContact CG-CG2 3.99Å; S210-V214 PolarHBondContact O-N 3.22Å; A211-V214 WeakPolarHBondContact O-CB 3.48Å; A211-V214 PolarHBondContact O-N 3.31Å; H212-V214 PolarHBondContact O-N 3Å; H212-V214 VanDerWaalsContact O-N 3.08Å; V214-F474 HydrophobicContact CG2-CE2 3.89Å; V214-F474 HydrophobicContact CG2-CZ 3.94Å; V214-V477 HydrophobicContact CG1-CG1 4.04Å; V214-V477 HydrophobicContact CG2-CG1 3.87Å; V214-A481 HydrophobicContact CG1-CB 3.44Å; V214-A481 VanDerWaalsContact CG1-CB 3.44Å
215N98.9Very high98.9Very high9 Ų915.9 Ų15.95%0.0489%0.088CC..THydrogen-bonded Turntrans-106.5-33.6-174-56.1-66.7000113.5A163 S166 R167 K170 H212 L213A163-N215 PolarHBondContact O-ND2 3.38Å; S166-N215 WeakPolarHBondContact CB-ND2 3.45Å; S166-N215 PolarHBondContact OG-ND2 3.2Å; R167-N215 VanDerWaalsContact CB-OD1 3.3Å; R167-N215 WeakPolarHBondContact CB-OD1 3.35Å; R167-N215 PolarHBondContact N-ND2 3.06Å; K170-N215 HydrophobicContact CD-CB 4.17Å; K170-N215 WeakPolarHBondContact CD-O 3.09Å; K170-N215 WeakPolarHBondContact CE-O 3.47Å; K170-N215 PolarHBondContact NZ-O 2.98Å; H212-N215 PolarHBondContact O-N 3.42Å; L213-N215 PolarHBondContact O-N 3.01Å
216F98.9Very high98.8Very high1 Ų118 Ų180%0.00411%0.11CC..  trans-127.1173.6-175-65.3-88.5000111.8S166 K170 L173 L187 E188 L191 H212 L213 R478S166-F216 WeakPolarHBondContact O-CE2 3.35Å; S166-F216 WeakPolarHBondContact OG-CD2 3.27Å; S166-F216 WeakPolarHBondContact OG-CE2 3.49Å; K170-F216 HydrophobicContact CB-CE1 4.34Å; K170-F216 HydrophobicContact CB-CE2 3.77Å; K170-F216 HydrophobicContact CB-CZ 3.46Å; K170-F216 VanDerWaalsContact CB-CZ 3.46Å; K170-F216 HydrophobicContact CD-CE1 4.46Å; K170-F216 HydrophobicContact CD-CE2 4.44Å; K170-F216 HydrophobicContact CD-CZ 4.23Å; K170-F216 HydrophobicContact CG-CE1 4.08Å; K170-F216 HydrophobicContact CG-CE2 4.26Å; K170-F216 HydrophobicContact CG-CZ 3.7Å; L173-F216 HydrophobicContact CD1-CE1 4.06Å; L173-F216 HydrophobicContact CD1-CZ 3.97Å; L187-F216 WeakPolarHBondContact O-CD1 3.22Å; L187-F216 VanDerWaalsContact O-CE1 3.29Å; L187-F216 WeakPolarHBondContact O-CE1 3.35Å; E188-F216 CarbonylContact O-C 3.37Å; E188-F216 WeakPolarHBondContact O-CA 3.32Å; E188-F216 WeakPolarHBondContact O-CB 3.29Å; L191-F216 HydrophobicContact CB-CD1 3.98Å; L191-F216 HydrophobicContact CB-CD2 4.22Å; L191-F216 HydrophobicContact CB-CE1 3.66Å; L191-F216 HydrophobicContact CB-CE2 3.9Å; L191-F216 HydrophobicContact CB-CG 4.25Å; L191-F216 HydrophobicContact CB-CZ 3.6Å; L191-F216 HydrophobicContact CD2-CD2 4.44Å; L191-F216 HydrophobicContact CD2-CE2 3.84Å; L191-F216 HydrophobicContact CD2-CZ 4.11Å; L191-F216 HydrophobicContact CG-CE2 4.45Å; H212-F216 AromaticContact CE1-CD2 3.29Å; H212-F216 WeakPolarHBondContact CE1-CD2 3.49Å; H212-F216 AromaticContact CE1-CG 3.7Å; H212-F216 AromaticContact ND1-CD2 3.75Å; H212-F216 PolarHBondContact O-N 2.85Å; L213-F216 CarbonylContact C-O 3.51Å; L213-F216 WeakPolarHBondContact CA-O 3.47Å; L213-F216 WeakPolarHBondContact CD2-O 3.43Å; F216-R478 PolarHBondContact O-NH2 3.34Å
217K98.8Very high98.8Very high66 Ų6618.7 Ų18.729%0.28711%0.114SC..SBendtrans-118.5-3.8-179.9-67.6-173.6-174.5173.60113.4E188 Y189 G240 F241E188-K217 HydrophobicContact CB-CD 4.27Å; E188-K217 HydrophobicContact CB-CG 4.23Å; E188-K217 HydrophobicContact CG-CD 4.15Å; E188-K217 PolarHBondContact O-N 3.22Å; Y189-K217 HydrophobicContact CD1-CB 3.97Å; Y189-K217 HydrophobicContact CE1-CB 3.42Å; Y189-K217 VanDerWaalsContact CE1-CB 3.42Å; Y189-K217 HydrophobicContact CE1-CD 4.46Å; Y189-K217 HydrophobicContact CE2-CD 4.49Å; K217-G240 CarbonylContact O-C 3.47Å; K217-G240 VanDerWaalsContact O-CA 3.26Å; K217-G240 WeakPolarHBondContact O-CA 3.02Å; K217-F241 HydrophobicContact CB-CD2 4.23Å; K217-F241 HydrophobicContact CD-CE2 4.49Å; K217-F241 PolarHBondContact O-N 3.16Å
218G98.8Very high98.8Very high0 Ų017.6 Ų17.60%011%0.108CC..BIsolated β-bridgetrans-96.7124.2178.500000113.3H192 D193 H212 F241H192-G218 VanDerWaalsContact ND1-CA 3.27Å; H192-G218 WeakPolarHBondContact ND1-CA 3.23Å; D193-G218 PolarHBondContact N-O 3.3Å; H212-G218 PolarHBondContact NE2-O 2.49Å; G218-F241 WeakPolarHBondContact CA-O 3.33Å
219T98.8Very high98.8Very high6 Ų624.9 Ų24.94%0.03714%0.14CC..BIsolated β-bridgetrans-156.3140.4172.9-176.30000112.7H192 D193 L213 T221 F241H192-T219 PolarHBondContact CE1-N 3.38Å; H192-T219 VanDerWaalsContact NE2-C 3.26Å; H192-T219 PolarHBondContact NE2-N 2.83Å; D193-T219 PolarHBondContact OD2-OG1 2.96Å; L213-T219 HydrophobicContact CD1-CG2 4.03Å; L213-T219 HydrophobicContact CD2-CG2 3.96Å; L213-T219 HydrophobicContact CG-CG2 4.28Å; T219-T221 PolarHBondContact OG1-N 2.8Å; T219-F241 PolarHBondContact N-O 2.94Å
220D98.8Very high98.7Very high63 Ų6332.1 Ų32.134%0.33717%0.172SC..SBendtrans-99.1-5.4164.8-766000112.1H192 D193 F194 V222 S242H192-D220 IonicContact CD2-OD1 3.42Å; H192-D220 IonicContact CE1-OD1 3.91Å; H192-D220 PolarHBondContact NE2-N 2.96Å; H192-D220 IonicContact NE2-OD1 2.71Å; H192-D220 PolarHBondContact NE2-OD1 2.88Å; D193-D220 PolarHBondContact O-N 2.9Å; F194-D220 HydrophobicContact CD1-CB 4.42Å; D220-V222 VanDerWaalsContact C-N 3.31Å; D220-V222 PolarHBondContact O-N 3.43Å; D220-S242 VanDerWaalsContact OD1-CB 3.28Å; D220-S242 WeakPolarHBondContact OD1-CB 3.28Å; D220-S242 PolarHBondContact OD1-OG 3.35Å
221T98.8Very high98.7Very high0 Ų033.2 Ų33.20%018%0.175CC..  trans-83.276.6176.3-51.20000110.3D193 Y196 A205 A209 T219 A223 G224D193-T221 PolarHBondContact OD1-OG1 3.46Å; D193-T221 VanDerWaalsContact OD1-OG1 3.08Å; D193-T221 WeakPolarHBondContact OD2-CB 3.41Å; D193-T221 PolarHBondContact OD2-OG1 3.18Å; Y196-T221 WeakPolarHBondContact CB-OG1 3.46Å; Y196-T221 HydrophobicContact CD1-CG2 4.04Å; Y196-T221 HydrophobicContact CD2-CG2 3.89Å; Y196-T221 HydrophobicContact CG-CG2 3.64Å; Y196-T221 PolarHBondContact N-OG1 2.81Å; Y196-T221 VanDerWaalsContact N-OG1 3.11Å; A205-T221 HydrophobicContact CB-CG2 3.87Å; A209-T221 HydrophobicContact CB-CG2 3.49Å; A209-T221 VanDerWaalsContact CB-CG2 3.49Å; T219-T221 PolarHBondContact OG1-N 2.8Å; T221-A223 HydrophobicContact CG2-CB 4.49Å; T221-A223 PolarHBondContact O-N 2.61Å; T221-G224 PolarHBondContact O-N 2.91Å
222V98.8Very high98.7Very high95 Ų9534 Ų3458%0.57618%0.179SC*.THydrogen-bonded Turntrans-51-31.2-175.5-178.40000113.4Y196 D220 G224 I225Y196-V222 HydrophobicContact CE1-CB 4.44Å; D220-V222 VanDerWaalsContact C-N 3.31Å; D220-V222 PolarHBondContact O-N 3.43Å; V222-G224 PolarHBondContact O-N 2.66Å; V222-G224 VanDerWaalsContact O-N 3.1Å; V222-I225 WeakPolarHBondContact O-CB 3.45Å; V222-I225 PolarHBondContact O-N 3.39Å; V222-I225 VanDerWaalsContact O-N 3.08Å
223A98.8Very high98.6Very high21 Ų2135.1 Ų35.117%0.17419%0.19CC..Hα-helixtrans-52.6-33.3177.200000113.6Y196 A205 T221 I225 G226 V227Y196-A223 HydrophobicContact CE1-CB 4.42Å; Y196-A223 HydrophobicContact CE2-CB 4.13Å; A205-A223 HydrophobicContact CB-CB 4.08Å; T221-A223 HydrophobicContact CG2-CB 4.49Å; T221-A223 PolarHBondContact O-N 2.61Å; A223-I225 VanDerWaalsContact C-N 3.33Å; A223-I225 PolarHBondContact O-N 2.88Å; A223-G226 PolarHBondContact O-N 2.71Å; A223-V227 PolarHBondContact O-N 3.3Å; A223-V227 VanDerWaalsContact O-N 3.15Å
224G98.8Very high98.5Very high0 Ų036.8 Ų36.80%020%0.2CC..Hα-helixtrans-62.9-37.4179.400000113.3G206 T221 V222 G226 V227 I228G206-G224 WeakPolarHBondContact O-CA 3.3Å; T221-G224 PolarHBondContact O-N 2.91Å; V222-G224 PolarHBondContact O-N 2.66Å; V222-G224 VanDerWaalsContact O-N 3.1Å; G224-G226 VanDerWaalsContact C-N 3.31Å; G224-G226 PolarHBondContact O-N 3.24Å; G224-V227 PolarHBondContact O-N 3.12Å; G224-I228 WeakPolarHBondContact O-CG1 3.32Å; G224-I228 PolarHBondContact O-N 3.01Å
225I98.6Very high98.3Very high38 Ų3845.7 Ų45.720%0.19524%0.238CC..Hα-helixtrans-61.4-43.3176.7-64.2170.7000110.1V222 A223 I228 K229 V238 P239V222-I225 WeakPolarHBondContact O-CB 3.45Å; V222-I225 PolarHBondContact O-N 3.39Å; V222-I225 VanDerWaalsContact O-N 3.08Å; A223-I225 VanDerWaalsContact C-N 3.33Å; A223-I225 PolarHBondContact O-N 2.88Å; I225-I228 PolarHBondContact O-N 3.08Å; I225-K229 WeakPolarHBondContact O-CB 3.42Å; I225-K229 PolarHBondContact O-N 2.97Å; I225-V238 HydrophobicContact CG2-CB 4.4Å; I225-V238 HydrophobicContact CG2-CG1 4.05Å; I225-P239 HydrophobicContact CG1-CG 4.25Å
226G98.3Very high98.2Very high45 Ų4549.2 Ų49.246%0.46426%0.257SS..Hα-helixtrans-63.9-42.4178.300000113A223 G224 K230A223-G226 PolarHBondContact O-N 2.71Å; G224-G226 VanDerWaalsContact C-N 3.31Å; G224-G226 PolarHBondContact O-N 3.24Å; G226-K230 WeakPolarHBondContact O-CB 3.48Å; G226-K230 PolarHBondContact O-N 3.06Å; G226-K230 VanDerWaalsContact O-N 3.13Å
227V98.7Very high98Very high17 Ų1754.7 Ų54.710%0.10329%0.293CS..Hα-helixtrans-61.4-50.7175.7169.40000110.8Y64 A223 G224 K229 K230 Y231Y64-V227 HydrophobicContact CD2-CG1 3.91Å; Y64-V227 HydrophobicContact CE2-CG1 4.15Å; Y64-V227 HydrophobicContact CE2-CG2 4.44Å; A223-V227 PolarHBondContact O-N 3.3Å; A223-V227 VanDerWaalsContact O-N 3.15Å; G224-V227 PolarHBondContact O-N 3.12Å; V227-K229 PolarHBondContact O-N 3.15Å; V227-K230 PolarHBondContact O-N 3.49Å; V227-Y231 HydrophobicContact CG1-CD2 4.08Å; V227-Y231 VanDerWaalsContact O-CD2 3.26Å; V227-Y231 WeakPolarHBondContact O-CD2 3.48Å; V227-Y231 PolarHBondContact O-N 2.68Å
228I98.8Very high97.9Very high0 Ų053.9 Ų53.90%029%0.293CS..Hα-helixtrans-60.6-49.8-178.5-69.2165.4000110.6L213 G224 I225 K230 Y231 Y232 G233 T234 P239 F474L213-I228 HydrophobicContact CB-CD1 3.99Å; L213-I228 HydrophobicContact CD1-CD1 3.59Å; L213-I228 HydrophobicContact CG-CD1 4.48Å; G224-I228 WeakPolarHBondContact O-CG1 3.32Å; G224-I228 PolarHBondContact O-N 3.01Å; I225-I228 PolarHBondContact O-N 3.08Å; I228-K230 PolarHBondContact O-N 2.94Å; I228-Y231 PolarHBondContact O-N 3.06Å; I228-Y232 PolarHBondContact O-N 2.76Å; I228-G233 PolarHBondContact O-N 2.92Å; I228-T234 HydrophobicContact CG2-CG2 3.98Å; I228-P239 HydrophobicContact CB-CG 3.93Å; I228-P239 HydrophobicContact CD1-CB 3.68Å; I228-P239 HydrophobicContact CD1-CG 3.45Å; I228-P239 VanDerWaalsContact CD1-CG 3.45Å; I228-P239 HydrophobicContact CG1-CG 4.28Å; I228-P239 HydrophobicContact CG2-CB 4.03Å; I228-P239 HydrophobicContact CG2-CG 3.87Å; I228-F474 HydrophobicContact CD1-CD1 4.07Å; I228-F474 HydrophobicContact CD1-CD2 4.16Å; I228-F474 HydrophobicContact CD1-CE1 3.57Å; I228-F474 HydrophobicContact CD1-CE2 3.69Å; I228-F474 HydrophobicContact CD1-CG 4.34Å; I228-F474 HydrophobicContact CD1-CZ 3.36Å; I228-F474 HydrophobicContact CG1-CD1 4.49Å; I228-F474 HydrophobicContact CG1-CD2 3.89Å; I228-F474 HydrophobicContact CG1-CE1 4.34Å; I228-F474 HydrophobicContact CG1-CE2 3.75Å; I228-F474 HydrophobicContact CG1-CG 4.27Å; I228-F474 HydrophobicContact CG1-CZ 3.98Å; I228-F474 HydrophobicContact CG2-CB 3.73Å; I228-F474 HydrophobicContact CG2-CD1 3.91Å; I228-F474 HydrophobicContact CG2-CD2 3.97Å; I228-F474 HydrophobicContact CG2-CG 3.59Å
229K98.1Very high97.8Very high153 Ų15354 Ų5467%0.66529%0.294SS*.Hα-helixtrans-58.7-36.9-178.9-172.5171.7-176.5170.70112.6I225 V227I225-K229 WeakPolarHBondContact O-CB 3.42Å; I225-K229 PolarHBondContact O-N 2.97Å; V227-K229 PolarHBondContact O-N 3.15Å
230K97.7Very high97.8Very high153 Ų15353.8 Ų53.867%0.66529%0.294SS*.Hα-helixtrans-79-40-177.7-174.8173.6178.2-170.20113.2G226 V227 I228G226-K230 WeakPolarHBondContact O-CB 3.48Å; G226-K230 PolarHBondContact O-N 3.06Å; G226-K230 VanDerWaalsContact O-N 3.13Å; V227-K230 PolarHBondContact O-N 3.49Å; I228-K230 PolarHBondContact O-N 2.94Å
231Y98.1Very high97.8Very high24 Ų2455 Ų559%0.09430%0.296CS..Hα-helixtrans-111.3-15.5-166.6-60.6-71.4000115Q63 Y64 H67 K68 V227 I228Q63-Y231 PolarHBondContact NE2-O 3.17Å; Y64-Y231 AromaticContact CD2-CD2 3.45Å; Y64-Y231 HydrophobicContact CD2-CD2 3.45Å; Y64-Y231 VanDerWaalsContact CD2-CD2 3.45Å; Y64-Y231 AromaticContact CD2-CE2 3.59Å; Y64-Y231 HydrophobicContact CD2-CE2 3.59Å; Y64-Y231 AromaticContact CD2-CG 3.94Å; Y64-Y231 HydrophobicContact CD2-CG 3.94Å; Y64-Y231 AromaticContact CE2-CD2 3.73Å; Y64-Y231 HydrophobicContact CE2-CD2 3.73Å; Y64-Y231 AromaticContact CE2-CE2 3.36Å; Y64-Y231 HydrophobicContact CE2-CE2 3.36Å; Y64-Y231 AromaticContact CE2-CZ 3.93Å; H67-Y231 HydrophobicContact CB-CD1 3.58Å; H67-Y231 HydrophobicContact CB-CE1 3.92Å; K68-Y231 HydrophobicContact CB-CE1 4.19Å; V227-Y231 HydrophobicContact CG1-CD2 4.08Å; V227-Y231 VanDerWaalsContact O-CD2 3.26Å; V227-Y231 WeakPolarHBondContact O-CD2 3.48Å; V227-Y231 PolarHBondContact O-N 2.68Å; I228-Y231 PolarHBondContact O-N 3.06Å
232Y98.6Very high97.8Very high17 Ų1757.9 Ų57.97%0.06732%0.316CS..THydrogen-bonded Turntrans-128.6-45.9-178.8-64.1-91.3000112.3Y60 G61 Q63 Y64 E122 I228 T473 F474 V477Y60-Y232 HydrophobicContact CD2-CE1 4.4Å; Y60-Y232 HydrophobicContact CE2-CD1 4.45Å; Y60-Y232 AromaticContact CE2-CE1 3.8Å; Y60-Y232 HydrophobicContact CE2-CE1 3.8Å; Y60-Y232 AromaticContact CE2-CE2 3.93Å; Y60-Y232 HydrophobicContact CE2-CE2 3.93Å; Y60-Y232 AromaticContact CE2-CZ 3.51Å; Y60-Y232 AromaticContact CZ-CZ 3.99Å; Y60-Y232 WeakPolarHBondContact OH-CE2 3.46Å; G61-Y232 VanDerWaalsContact CA-OH 3.3Å; G61-Y232 WeakPolarHBondContact CA-OH 3.36Å; Q63-Y232 HydrophobicContact CB-CE1 3.8Å; Q63-Y232 HydrophobicContact CG-CE1 4.16Å; Q63-Y232 VanDerWaalsContact NE2-CD1 3.31Å; Y64-Y232 PolarHBondContact N-OH 3.15Å; E122-Y232 WeakPolarHBondContact OE2-CE1 3.2Å; E122-Y232 PolarHBondContact OE2-OH 2.81Å; E122-Y232 VanDerWaalsContact OE2-OH 3.13Å; I228-Y232 PolarHBondContact O-N 2.76Å; Y232-T473 WeakPolarHBondContact O-CA 3.47Å; Y232-F474 HydrophobicContact CG-CD2 4.29Å; Y232-V477 HydrophobicContact CD1-CG2 4.4Å
233G97.6Very high97.7Very high23 Ų2356.2 Ų56.224%0.23731%0.306CS..  trans75.4155.8-171.600000112.9I228 F474I228-G233 PolarHBondContact O-N 2.92Å; G233-F474 WeakPolarHBondContact O-CB 3.48Å; G233-F474 PolarHBondContact O-N 3.46Å
234T96.3Very high97.7Very high35 Ų3557.2 Ų57.222%0.21531%0.311CS..  trans-134.7153.6173.642.80000109I228 D236 P239 F474 D475I228-T234 HydrophobicContact CG2-CG2 3.98Å; T234-D236 VanDerWaalsContact C-N 3.34Å; T234-D236 WeakPolarHBondContact CB-O 3.23Å; T234-D236 PolarHBondContact OG1-O 3.24Å; T234-P239 HydrophobicContact CG2-CB 3.99Å; T234-F474 HydrophobicContact CG2-CB 3.72Å; T234-F474 HydrophobicContact CG2-CD1 3.94Å; T234-F474 HydrophobicContact CG2-CG 4.26Å; T234-D475 WeakPolarHBondContact CA-OD2 3.38Å
235K96.1Very high97.6Very high193 Ų19359.7 Ų59.784%0.83933%0.332SS*.SBendtrans-63.2-43.5167.8-178.8-176.1174.4-174.30111D475K235-D475 WeakPolarHBondContact CB-OD2 3.45Å; K235-D475 PolarHBondContact N-OD2 2.84Å
236D95.1Very high97.6Very high83 Ų8358.2 Ų58.244%0.44433%0.325SS..SBendtrans-74.2153.9176.1-67.9-24000111T234 V238T234-D236 VanDerWaalsContact C-N 3.34Å; T234-D236 WeakPolarHBondContact CB-O 3.23Å; T234-D236 PolarHBondContact OG1-O 3.24Å; D236-V238 PolarHBondContact O-N 3.39Å; D236-V238 VanDerWaalsContact O-N 3.15Å
237P95.6Very high97.6Very high116 Ų11660.4 Ų60.475%0.75332%0.323SS*.SBendtrans-57.8-31-178.5-26.635000114.4
238V97Very high97.6Very high49 Ų4962.9 Ų62.930%0.29733%0.333SS..  trans-142.5148178.2-66.20000110.9I225 D236 F241I225-V238 HydrophobicContact CG2-CB 4.4Å; I225-V238 HydrophobicContact CG2-CG1 4.05Å; D236-V238 PolarHBondContact O-N 3.39Å; D236-V238 VanDerWaalsContact O-N 3.15Å; V238-F241 HydrophobicContact CG2-CD1 4.27Å; V238-F241 HydrophobicContact CG2-CE1 3.84Å; V238-F241 HydrophobicContact CG2-CZ 4.2Å
239P97.3Very high97.6Very high2 Ų265.7 Ų65.71%0.01335%0.353CS..SBendtrans-81.8-20178.131.8-35.7000113.6L213 I225 I228 T234 F474 R478L213-P239 HydrophobicContact CD1-CB 4.27Å; L213-P239 HydrophobicContact CD1-CG 4.01Å; I225-P239 HydrophobicContact CG1-CG 4.25Å; I228-P239 HydrophobicContact CB-CG 3.93Å; I228-P239 HydrophobicContact CD1-CB 3.68Å; I228-P239 HydrophobicContact CD1-CG 3.45Å; I228-P239 VanDerWaalsContact CD1-CG 3.45Å; I228-P239 HydrophobicContact CG1-CG 4.28Å; I228-P239 HydrophobicContact CG2-CB 4.03Å; I228-P239 HydrophobicContact CG2-CG 3.87Å; T234-P239 HydrophobicContact CG2-CB 3.99Å; P239-F474 HydrophobicContact CB-CD1 4.05Å; P239-F474 HydrophobicContact CB-CE1 4.02Å; P239-R478 PolarHBondContact O-NH1 2.84Å; P239-R478 VanDerWaalsContact O-NH1 3.15Å; P239-R478 PolarHBondContact O-NH2 3.26Å
240G97.9Very high97.6Very high3 Ų361.1 Ų61.13%0.03134%0.338CS..  trans-142.3156.4-172.200000112.3K217K217-G240 CarbonylContact O-C 3.47Å; K217-G240 VanDerWaalsContact O-CA 3.26Å; K217-G240 WeakPolarHBondContact O-CA 3.02Å
241F98.5Very high97.7Very high87 Ų8753.9 Ų53.938%0.38231%0.306SS..BIsolated β-bridgetrans-133.1159.3-170.6-54.3-89.6000110.5Y189 H192 K217 G218 T219 V238Y189-F241 HydrophobicContact CE1-CB 4.32Å; Y189-F241 HydrophobicContact CE1-CD2 4.08Å; H192-F241 PolarHBondContact CE1-O 3Å; K217-F241 HydrophobicContact CB-CD2 4.23Å; K217-F241 HydrophobicContact CD-CE2 4.49Å; K217-F241 PolarHBondContact O-N 3.16Å; G218-F241 WeakPolarHBondContact CA-O 3.33Å; T219-F241 PolarHBondContact N-O 2.94Å; V238-F241 HydrophobicContact CG2-CD1 4.27Å; V238-F241 HydrophobicContact CG2-CE1 3.84Å; V238-F241 HydrophobicContact CG2-CZ 4.2Å
242S98.4Very high97.7Very high62 Ų6255.6 Ų55.643%0.43432%0.319SS..  trans-144.7175.1169.8-169.70000110D220D220-S242 VanDerWaalsContact OD1-CB 3.28Å; D220-S242 WeakPolarHBondContact OD1-CB 3.28Å; D220-S242 PolarHBondContact OD1-OG 3.35Å
243V96.9Very high97.7Very high60 Ų6058.8 Ų58.836%0.36435%0.35SS..  trans-128.1156.9178.9-58.50000109.2A245 P274V243-A245 PolarHBondContact O-N 3.32Å; V243-P274 HydrophobicContact CB-CB 4.36Å; V243-P274 HydrophobicContact CG1-CB 4.03Å; V243-P274 HydrophobicContact CG1-CG 4.13Å
244P98.6Very high97.7Very high41 Ų4162.7 Ų62.727%0.26636%0.357SS..  trans-53133.1170.8-27.336.8000111.7F270 V273 V275 S276P244-F270 HydrophobicContact CB-CB 4.5Å; P244-F270 HydrophobicContact CB-CD1 3.64Å; P244-F270 HydrophobicContact CB-CD2 3.85Å; P244-F270 HydrophobicContact CB-CE1 3.7Å; P244-F270 HydrophobicContact CB-CE2 3.9Å; P244-F270 HydrophobicContact CB-CG 3.72Å; P244-F270 HydrophobicContact CB-CZ 3.83Å; P244-F270 HydrophobicContact CG-CD1 3.54Å; P244-F270 HydrophobicContact CG-CE1 3.74Å; P244-F270 HydrophobicContact CG-CG 4.02Å; P244-F270 HydrophobicContact CG-CZ 4.37Å; P244-V273 HydrophobicContact CG-CG2 3.86Å; P244-V275 HydrophobicContact CB-CG2 4.46Å; P244-V275 WeakPolarHBondContact O-CA 3.21Å; P244-S276 PolarHBondContact O-N 3.14Å
245A98.3Very high97.8Very high53 Ų5362.5 Ų62.544%0.43836%0.362SS..BIsolated β-bridgetrans-142145.8-179.800000111.2V243 S276V243-A245 PolarHBondContact O-N 3.32Å; A245-S276 CarbonylContact C-O 3.53Å; A245-S276 WeakPolarHBondContact CA-O 3.42Å
246A98.4Very high97.9Very high6 Ų659.8 Ų59.85%0.0535%0.35CS..  trans-86.7150.3170.900000111I251 I266 S276 I277 V278A246-I251 HydrophobicContact CB-CD1 3.95Å; A246-I251 HydrophobicContact CB-CG1 4.4Å; A246-I266 HydrophobicContact CB-CD1 4.02Å; A246-S276 PolarHBondContact N-O 3.35Å; A246-I277 HydrophobicContact CB-CG2 4.21Å; A246-V278 HydrophobicContact CB-CG1 4.36Å
247E97.8Very high98.1Very high91 Ų9163 Ų6343%0.42537%0.368SS..  trans-117.8166.5161.560.1165.8-133.500109.8R197 S249 T250R197-E247 IonicContact NH2-OE2 2.91Å; E247-S249 WeakPolarHBondContact CG-OG 3.02Å; E247-S249 PolarHBondContact O-N 3.06Å; E247-S249 VanDerWaalsContact O-N 3.09Å; E247-S249 WeakPolarHBondContact OE1-CB 3.28Å; E247-S249 PolarHBondContact OE1-OG 3.31Å; E247-T250 HydrophobicContact CG-CG2 4.2Å; E247-T250 PolarHBondContact N-OG1 3.13Å; E247-T250 PolarHBondContact O-N 2.78Å; E247-T250 PolarHBondContact O-OG1 2.63Å
248H98.4Very high98.2Very high70 Ų7061.9 Ų61.932%0.32435%0.352SS..Hα-helixtrans-52.8-39.3-173.9-63.890.7000112.8T250 I251 T252 V278 D280 D314H248-T250 VanDerWaalsContact C-N 3.28Å; H248-T250 PolarHBondContact O-N 2.92Å; H248-I251 PolarHBondContact O-N 3.01Å; H248-T252 WeakPolarHBondContact O-CG2 3.42Å; H248-T252 PolarHBondContact O-N 2.78Å; H248-T252 PolarHBondContact O-OG1 2.7Å; H248-V278 WeakPolarHBondContact NE2-CG2 3.32Å; H248-D280 IonicContact CD2-OD1 3.85Å; H248-D280 IonicContact CE1-OD1 3.74Å; H248-D280 IonicContact NE2-OD1 2.72Å; H248-D280 PolarHBondContact NE2-OD1 3.07Å; H248-D314 IonicContact CE1-OD2 3.83Å; H248-D314 PolarHBondContact CE1-OD2 2.89Å
249S98.3Very high98.3Very high58 Ų5860 Ų6041%0.40634%0.34SS..Hα-helixtrans-55.4-42.7179.772.40000112.6E247 I251 A253E247-S249 WeakPolarHBondContact CG-OG 3.02Å; E247-S249 PolarHBondContact O-N 3.06Å; E247-S249 VanDerWaalsContact O-N 3.09Å; E247-S249 WeakPolarHBondContact OE1-CB 3.28Å; E247-S249 PolarHBondContact OE1-OG 3.31Å; S249-I251 PolarHBondContact O-N 3.2Å; S249-A253 WeakPolarHBondContact O-CB 3.23Å; S249-A253 PolarHBondContact O-N 2.8Å
250T98.7Very high98.4Very high58 Ų5863.8 Ų63.836%0.35636%0.356SS..Hα-helixtrans-70.4-19.9-178.763.50000113.5E247 H248 W254E247-T250 HydrophobicContact CG-CG2 4.2Å; E247-T250 PolarHBondContact N-OG1 3.13Å; E247-T250 PolarHBondContact O-N 2.78Å; E247-T250 PolarHBondContact O-OG1 2.63Å; H248-T250 VanDerWaalsContact C-N 3.28Å; H248-T250 PolarHBondContact O-N 2.92Å; T250-W254 VanDerWaalsContact O-CD1 3.27Å; T250-W254 PolarHBondContact O-NE1 3.48Å
251I98.8Very high98.4Very high0 Ų066.1 Ų66.10%037%0.368CS..Hα-helixtrans-91.1-54.7174.8-50.6-58.5000109.4A246 H248 S249 A253 W254 E259 A262 F263 I266 I277 V278A246-I251 HydrophobicContact CB-CD1 3.95Å; A246-I251 HydrophobicContact CB-CG1 4.4Å; H248-I251 PolarHBondContact O-N 3.01Å; S249-I251 PolarHBondContact O-N 3.2Å; I251-A253 PolarHBondContact O-N 3.04Å; I251-W254 PolarHBondContact O-N 2.95Å; I251-W254 VanDerWaalsContact O-N 3.16Å; I251-E259 HydrophobicContact CG2-CG 4.01Å; I251-A262 HydrophobicContact CD1-CB 4.37Å; I251-A262 HydrophobicContact CG2-CB 4.32Å; I251-F263 HydrophobicContact CD1-CD1 3.95Å; I251-F263 HydrophobicContact CD1-CE1 3.91Å; I251-F263 HydrophobicContact CG1-CE1 4.37Å; I251-F263 HydrophobicContact CG2-CD1 4.4Å; I251-F263 HydrophobicContact CG2-CE1 3.8Å; I251-I266 HydrophobicContact CD1-CD1 3.46Å; I251-I266 VanDerWaalsContact CD1-CD1 3.46Å; I251-I277 HydrophobicContact CD1-CG2 3.99Å; I251-V278 HydrophobicContact CG1-CG1 3.95Å
252T98.6Very high98.4Very high60 Ų6062 Ų6237%0.36835%0.35SS..Hα-helixtrans-68-21.1-173.561.30000113.6H248 W254 G255H248-T252 WeakPolarHBondContact O-CG2 3.42Å; H248-T252 PolarHBondContact O-N 2.78Å; H248-T252 PolarHBondContact O-OG1 2.7Å; T252-W254 PolarHBondContact O-N 2.94Å; T252-G255 PolarHBondContact O-N 3.25Å
253A98.6Very high98.5Very high85 Ų8559 Ų5970%0.70233%0.329SS*.THydrogen-bonded Turntrans-61.7-21.217500000113.5S249 I251 G255S249-A253 WeakPolarHBondContact O-CB 3.23Å; S249-A253 PolarHBondContact O-N 2.8Å; I251-A253 PolarHBondContact O-N 3.04Å; A253-G255 VanDerWaalsContact C-N 3.27Å
254W98.7Very high98.6Very high105 Ų10558.8 Ų58.840%0.39832%0.324SS..THydrogen-bonded Turntrans-78.7-14.7174.4-66.374.4000112.4T250 I251 T252 H258 D261 A262 H265T250-W254 VanDerWaalsContact O-CD1 3.27Å; T250-W254 PolarHBondContact O-NE1 3.48Å; I251-W254 PolarHBondContact O-N 2.95Å; I251-W254 VanDerWaalsContact O-N 3.16Å; T252-W254 PolarHBondContact O-N 2.94Å; W254-H258 HydrophobicContact CB-CB 3.91Å; W254-H258 VanDerWaalsContact O-CB 3.32Å; W254-H258 WeakPolarHBondContact O-CB 3.19Å; W254-H258 PolarHBondContact O-CD2 3.11Å; W254-H258 VanDerWaalsContact O-CD2 3.29Å; W254-D261 HydrophobicContact CE3-CB 3.93Å; W254-D261 HydrophobicContact CZ3-CB 4.1Å; W254-A262 HydrophobicContact CB-CB 4.08Å; W254-A262 VanDerWaalsContact CD1-CB 3.42Å; W254-A262 HydrophobicContact CD2-CB 4.01Å; W254-A262 HydrophobicContact CG-CB 3.58Å; W254-H265 HydrophobicContact CH2-CB 3.8Å; W254-H265 AromaticContact CH2-CG 3.83Å; W254-H265 AromaticContact CH2-ND1 3.95Å; W254-H265 HydrophobicContact CZ2-CB 3.73Å; W254-H265 AromaticContact CZ2-CD2 3.88Å; W254-H265 AromaticContact CZ2-CG 3.59Å
255G98.1Very high98.6Very high30 Ų3060.8 Ų60.831%0.30933%0.33SS..  trans82.6154.2-170.200000111.9T252 A253 D257 H258T252-G255 PolarHBondContact O-N 3.25Å; A253-G255 VanDerWaalsContact C-N 3.27Å; G255-D257 VanDerWaalsContact C-N 3.32Å; G255-D257 PolarHBondContact O-N 2.79Å; G255-H258 CarbonylContact O-C 3.58Å; G255-H258 PolarHBondContact O-N 2.62Å
256K98.4Very high98.6Very high136 Ų13659 Ų5959%0.59131%0.313SS*.G310 helixtrans-58-41.5-171.4-179.3173.8179.5179.80113.8H258 E259 Y282K256-H258 PolarHBondContact O-N 2.75Å; K256-H258 VanDerWaalsContact O-N 3.13Å; K256-E259 PolarHBondContact O-N 3.2Å; K256-Y282 VanDerWaalsContact CA-CZ 3.42Å; K256-Y282 WeakPolarHBondContact CA-OH 3.42Å; K256-Y282 HydrophobicContact CB-CD1 4.23Å; K256-Y282 HydrophobicContact CB-CD2 4.44Å; K256-Y282 HydrophobicContact CB-CE1 3.74Å; K256-Y282 HydrophobicContact CB-CE2 4Å; K256-Y282 HydrophobicContact CD-CD1 3.8Å; K256-Y282 HydrophobicContact CD-CE1 4.11Å; K256-Y282 HydrophobicContact CD-CG 4.08Å; K256-Y282 HydrophobicContact CG-CD1 3.77Å; K256-Y282 HydrophobicContact CG-CD2 3.86Å; K256-Y282 HydrophobicContact CG-CE1 3.82Å; K256-Y282 HydrophobicContact CG-CE2 3.93Å; K256-Y282 HydrophobicContact CG-CG 3.79Å; K256-Y282 PolarHBondContact N-OH 3.31Å
257D98.6Very high98.6Very high152 Ų15259 Ų5981%0.81331%0.311SS*.G310 helixtrans-70-7.8-178.5-58.7-31.5000112.9G255G255-D257 VanDerWaalsContact C-N 3.32Å; G255-D257 PolarHBondContact O-N 2.79Å
258H98.6Very high98.6Very high91 Ų9159.9 Ų59.942%0.42131%0.314SS..G310 helixtrans-118.820.8-178-61.3-72.2000113W254 G255 K256 K260 D261 A262W254-H258 HydrophobicContact CB-CB 3.91Å; W254-H258 VanDerWaalsContact O-CB 3.32Å; W254-H258 WeakPolarHBondContact O-CB 3.19Å; W254-H258 PolarHBondContact O-CD2 3.11Å; W254-H258 VanDerWaalsContact O-CD2 3.29Å; G255-H258 CarbonylContact O-C 3.58Å; G255-H258 PolarHBondContact O-N 2.62Å; K256-H258 PolarHBondContact O-N 2.75Å; K256-H258 VanDerWaalsContact O-N 3.13Å; H258-K260 VanDerWaalsContact C-N 3.26Å; H258-K260 PolarHBondContact O-N 3.23Å; H258-D261 HydrophobicContact CB-CB 4.25Å; H258-D261 IonicContact CE1-OD2 3.88Å; H258-D261 IonicContact CG-OD2 3.59Å; H258-D261 IonicContact ND1-OD2 2.8Å; H258-D261 PolarHBondContact ND1-OD2 3.43Å; H258-D261 PolarHBondContact O-N 3.08Å; H258-A262 PolarHBondContact O-N 3Å
259E98.8Very high98.6Very high11 Ų1162 Ų625%0.05132%0.324CS..Hα-helixtrans-55.8-42175.6-176.7172.8-132.600111.7I251 K256 D261 A262 F263 Y282 I291I251-E259 HydrophobicContact CG2-CG 4.01Å; K256-E259 PolarHBondContact O-N 3.2Å; E259-D261 VanDerWaalsContact C-N 3.32Å; E259-D261 PolarHBondContact O-N 3.37Å; E259-A262 WeakPolarHBondContact O-CB 3.41Å; E259-A262 PolarHBondContact O-N 3.4Å; E259-F263 HydrophobicContact CG-CD1 4.4Å; E259-F263 HydrophobicContact CG-CE1 3.82Å; E259-F263 HydrophobicContact CG-CE2 3.92Å; E259-F263 HydrophobicContact CG-CZ 3.52Å; E259-F263 WeakPolarHBondContact O-CD1 3.48Å; E259-F263 WeakPolarHBondContact O-CG 3.25Å; E259-F263 PolarHBondContact O-N 2.89Å; E259-Y282 HydrophobicContact CB-CD2 4.18Å; E259-Y282 HydrophobicContact CB-CE2 4.05Å; E259-Y282 HydrophobicContact CG-CD2 4.26Å; E259-Y282 HydrophobicContact CG-CE2 4.33Å; E259-Y282 WeakPolarHBondContact OE1-CD2 3.28Å; E259-I291 HydrophobicContact CB-CD1 4.4Å; E259-I291 HydrophobicContact CG-CD1 4.19Å
260K98.8Very high98.6Very high80 Ų8063 Ų6335%0.34832%0.321SS..Hα-helixtrans-58.3-43.1173.5179.7-168.770.5171.50112.2H258 A262 F263 E264 I291 D295 L296H258-K260 VanDerWaalsContact C-N 3.26Å; H258-K260 PolarHBondContact O-N 3.23Å; K260-A262 VanDerWaalsContact C-N 3.31Å; K260-A262 PolarHBondContact O-N 2.91Å; K260-F263 WeakPolarHBondContact O-CB 3.49Å; K260-F263 PolarHBondContact O-N 3.31Å; K260-E264 WeakPolarHBondContact O-CB 3.34Å; K260-E264 PolarHBondContact O-N 3.07Å; K260-I291 HydrophobicContact CB-CG2 3.9Å; K260-I291 HydrophobicContact CG-CG2 3.91Å; K260-D295 HydrophobicContact CD-CB 3.84Å; K260-D295 HydrophobicContact CG-CB 4.48Å; K260-L296 HydrophobicContact CD-CD2 4.39Å; K260-L296 HydrophobicContact CG-CD1 4.13Å; K260-L296 HydrophobicContact CG-CD2 3.95Å; K260-L296 HydrophobicContact CG-CG 4.04Å
261D98.8Very high98.5Very high52 Ų5263.2 Ų63.228%0.27832%0.324SS..Hα-helixtrans-67.7-37.1-177.1-57.8-26.5000110.4W254 H258 E259 H265W254-D261 HydrophobicContact CE3-CB 3.93Å; W254-D261 HydrophobicContact CZ3-CB 4.1Å; H258-D261 HydrophobicContact CB-CB 4.25Å; H258-D261 IonicContact CE1-OD2 3.88Å; H258-D261 IonicContact CG-OD2 3.59Å; H258-D261 IonicContact ND1-OD2 2.8Å; H258-D261 PolarHBondContact ND1-OD2 3.43Å; H258-D261 PolarHBondContact O-N 3.08Å; E259-D261 VanDerWaalsContact C-N 3.32Å; E259-D261 PolarHBondContact O-N 3.37Å; D261-H265 VanDerWaalsContact O-CB 3.23Å; D261-H265 WeakPolarHBondContact O-CB 3.41Å; D261-H265 PolarHBondContact O-N 3.03Å
262A98.9Very high98.4Very high0 Ų069.9 Ų69.90%036%0.359CS..Hα-helixtrans-61-47.9171.900000111.7I251 W254 H258 E259 K260 H265 I266I251-A262 HydrophobicContact CD1-CB 4.37Å; I251-A262 HydrophobicContact CG2-CB 4.32Å; W254-A262 HydrophobicContact CB-CB 4.08Å; W254-A262 VanDerWaalsContact CD1-CB 3.42Å; W254-A262 HydrophobicContact CD2-CB 4.01Å; W254-A262 HydrophobicContact CG-CB 3.58Å; H258-A262 PolarHBondContact O-N 3Å; E259-A262 WeakPolarHBondContact O-CB 3.41Å; E259-A262 PolarHBondContact O-N 3.4Å; K260-A262 VanDerWaalsContact C-N 3.31Å; K260-A262 PolarHBondContact O-N 2.91Å; A262-H265 PolarHBondContact O-N 2.71Å; A262-I266 WeakPolarHBondContact O-CD1 3.28Å; A262-I266 VanDerWaalsContact O-CG1 3.27Å; A262-I266 WeakPolarHBondContact O-CG1 3.08Å; A262-I266 PolarHBondContact O-N 3.34Å
263F98.9Very high98.4Very high0 Ų069.7 Ų69.70%036%0.358CS..Hα-helixtrans-59.8-48.6177.6-766.2000112.1I251 E259 K260 H265 I266 I267 I277 A287 I291 W292 L296I251-F263 HydrophobicContact CD1-CD1 3.95Å; I251-F263 HydrophobicContact CD1-CE1 3.91Å; I251-F263 HydrophobicContact CG1-CE1 4.37Å; I251-F263 HydrophobicContact CG2-CD1 4.4Å; I251-F263 HydrophobicContact CG2-CE1 3.8Å; E259-F263 HydrophobicContact CG-CD1 4.4Å; E259-F263 HydrophobicContact CG-CE1 3.82Å; E259-F263 HydrophobicContact CG-CE2 3.92Å; E259-F263 HydrophobicContact CG-CZ 3.52Å; E259-F263 WeakPolarHBondContact O-CD1 3.48Å; E259-F263 WeakPolarHBondContact O-CG 3.25Å; E259-F263 PolarHBondContact O-N 2.89Å; K260-F263 WeakPolarHBondContact O-CB 3.49Å; K260-F263 PolarHBondContact O-N 3.31Å; F263-H265 VanDerWaalsContact C-N 3.34Å; F263-H265 PolarHBondContact O-N 2.98Å; F263-I266 PolarHBondContact O-N 3.4Å; F263-I267 WeakPolarHBondContact O-CB 3.29Å; F263-I267 WeakPolarHBondContact O-CG2 3.37Å; F263-I267 PolarHBondContact O-N 3.35Å; F263-I277 HydrophobicContact CD1-CG2 3.71Å; F263-I277 HydrophobicContact CE1-CG2 3.81Å; F263-I277 HydrophobicContact CG-CG2 4.49Å; F263-A287 HydrophobicContact CE2-CB 3.99Å; F263-A287 HydrophobicContact CZ-CB 4.35Å; F263-I291 HydrophobicContact CD2-CB 4.33Å; F263-I291 HydrophobicContact CD2-CG2 3.62Å; F263-I291 HydrophobicContact CE2-CB 4.45Å; F263-I291 HydrophobicContact CE2-CD1 4.19Å; F263-I291 HydrophobicContact CE2-CG2 4.19Å; F263-W292 HydrophobicContact CB-CH2 3.36Å; F263-W292 HydrophobicContact CB-CZ2 3.67Å; F263-W292 HydrophobicContact CB-CZ3 3.95Å; F263-W292 HydrophobicContact CD1-CH2 4.49Å; F263-W292 AromaticContact CD1-CZ2 3.99Å; F263-W292 HydrophobicContact CD1-CZ2 3.99Å; F263-W292 HydrophobicContact CD2-CD2 4.11Å; F263-W292 AromaticContact CD2-CE2 3.45Å; F263-W292 VanDerWaalsContact CD2-CE2 3.45Å; F263-W292 AromaticContact CD2-CH2 3.89Å; F263-W292 HydrophobicContact CD2-CH2 3.89Å; F263-W292 AromaticContact CD2-CZ2 3.33Å; F263-W292 HydrophobicContact CD2-CZ2 3.33Å; F263-W292 HydrophobicContact CD2-CZ3 4.44Å; F263-W292 AromaticContact CD2-NE1 3.8Å; F263-W292 AromaticContact CE2-CE2 3.83Å; F263-W292 AromaticContact CE2-CZ2 3.98Å; F263-W292 HydrophobicContact CE2-CZ2 3.98Å; F263-W292 AromaticContact CE2-NE1 3.66Å; F263-W292 AromaticContact CG-CH2 3.67Å; F263-W292 HydrophobicContact CG-CH2 3.67Å; F263-W292 AromaticContact CG-CZ2 3.37Å; F263-W292 HydrophobicContact CG-CZ2 3.37Å; F263-W292 HydrophobicContact CG-CZ3 4.47Å; F263-L296 HydrophobicContact CB-CD1 3.62Å
264E98.9Very high98.4Very high56 Ų5667.5 Ų67.526%0.26234%0.337SS..Hα-helixtrans-63.2-39.9177.5-176.1172.8-167.400112K260 I267 K268 L296 L299K260-E264 WeakPolarHBondContact O-CB 3.34Å; K260-E264 PolarHBondContact O-N 3.07Å; E264-I267 WeakPolarHBondContact O-CG2 3.21Å; E264-K268 HydrophobicContact CG-CD 4.11Å; E264-K268 WeakPolarHBondContact O-CB 3.17Å; E264-K268 VanDerWaalsContact O-CG 3.28Å; E264-K268 WeakPolarHBondContact O-CG 3.03Å; E264-K268 PolarHBondContact O-N 2.95Å; E264-K268 VanDerWaalsContact OE1-CE 3.27Å; E264-K268 WeakPolarHBondContact OE1-CE 3.3Å; E264-K268 IonicContact OE1-NZ 3.81Å; E264-K268 PolarHBondContact OE1-NZ 3.03Å; E264-L296 HydrophobicContact CB-CD1 4.13Å; E264-L296 HydrophobicContact CB-CD2 3.86Å; E264-L296 HydrophobicContact CG-CD2 4.18Å; E264-L299 HydrophobicContact CG-CD1 3.83Å
265H98.8Very high98.4Very high82 Ų8262.5 Ų62.538%0.3832%0.318SS..Hα-helixtrans-61-54.7176.5178.184.3000111W254 D261 A262 F263 I267 K268 Q269W254-H265 HydrophobicContact CH2-CB 3.8Å; W254-H265 AromaticContact CH2-CG 3.83Å; W254-H265 AromaticContact CH2-ND1 3.95Å; W254-H265 HydrophobicContact CZ2-CB 3.73Å; W254-H265 AromaticContact CZ2-CD2 3.88Å; W254-H265 AromaticContact CZ2-CG 3.59Å; D261-H265 VanDerWaalsContact O-CB 3.23Å; D261-H265 WeakPolarHBondContact O-CB 3.41Å; D261-H265 PolarHBondContact O-N 3.03Å; A262-H265 PolarHBondContact O-N 2.71Å; F263-H265 VanDerWaalsContact C-N 3.34Å; F263-H265 PolarHBondContact O-N 2.98Å; H265-I267 PolarHBondContact O-N 3.49Å; H265-K268 PolarHBondContact O-N 3.32Å; H265-Q269 WeakPolarHBondContact O-CG 3.45Å; H265-Q269 PolarHBondContact O-N 3.24Å
266I98.8Very high98.4Very high16 Ų1661.4 Ų61.48%0.08231%0.305CS..Hα-helixtrans-61.9-44.7-175.2-67.1164.2000110.9A246 I251 A262 F263 K268 Q269 F270 V275 I277A246-I266 HydrophobicContact CB-CD1 4.02Å; I251-I266 HydrophobicContact CD1-CD1 3.46Å; I251-I266 VanDerWaalsContact CD1-CD1 3.46Å; A262-I266 WeakPolarHBondContact O-CD1 3.28Å; A262-I266 VanDerWaalsContact O-CG1 3.27Å; A262-I266 WeakPolarHBondContact O-CG1 3.08Å; A262-I266 PolarHBondContact O-N 3.34Å; F263-I266 PolarHBondContact O-N 3.4Å; I266-K268 PolarHBondContact O-N 3.3Å; I266-Q269 PolarHBondContact O-N 3.09Å; I266-Q269 VanDerWaalsContact O-N 3.11Å; I266-F270 HydrophobicContact CG2-CD2 4.06Å; I266-F270 HydrophobicContact CG2-CE2 4.3Å; I266-F270 WeakPolarHBondContact O-CD2 3.5Å; I266-F270 PolarHBondContact O-N 2.87Å; I266-V275 HydrophobicContact CG2-CG2 3.97Å; I266-I277 HydrophobicContact CB-CD1 4.14Å; I266-I277 HydrophobicContact CG2-CD1 3.76Å; I266-I277 HydrophobicContact CG2-CG1 4Å
267I97.5Very high98.4Very high5 Ų554.9 Ų54.93%0.02628%0.277CS..Hα-helixtrans-66.3-29.4-176.9-153.5163.3000112.7F263 E264 H265 F270 V275 I277 W292 L299 I300 R303 L309F263-I267 WeakPolarHBondContact O-CB 3.29Å; F263-I267 WeakPolarHBondContact O-CG2 3.37Å; F263-I267 PolarHBondContact O-N 3.35Å; E264-I267 WeakPolarHBondContact O-CG2 3.21Å; H265-I267 PolarHBondContact O-N 3.49Å; I267-F270 CarbonylContact O-C 3.48Å; I267-V275 HydrophobicContact CG1-CG1 4.33Å; I267-I277 HydrophobicContact CB-CD1 4.4Å; I267-W292 HydrophobicContact CD1-CH2 4.21Å; I267-W292 HydrophobicContact CD1-CZ3 3.87Å; I267-L299 HydrophobicContact CG2-CD1 4.3Å; I267-I300 HydrophobicContact CD1-CD1 3.11Å; I267-R303 PolarHBondContact O-NH1 2.94Å; I267-R303 VanDerWaalsContact O-NH1 3.17Å; I267-L309 HydrophobicContact CD1-CB 4.34Å; I267-L309 HydrophobicContact CD1-CD1 4.25Å; I267-L309 HydrophobicContact CD1-CD2 4.41Å
268K98.3Very high98.4Very high111 Ų11147.7 Ų47.748%0.48324%0.238SC..Hα-helixtrans-77.7-28.9173.4-73.2178.2-177.41750113.3E264 H265 I266 F270 P271E264-K268 HydrophobicContact CG-CD 4.11Å; E264-K268 WeakPolarHBondContact O-CB 3.17Å; E264-K268 VanDerWaalsContact O-CG 3.28Å; E264-K268 WeakPolarHBondContact O-CG 3.03Å; E264-K268 PolarHBondContact O-N 2.95Å; E264-K268 VanDerWaalsContact OE1-CE 3.27Å; E264-K268 WeakPolarHBondContact OE1-CE 3.3Å; E264-K268 IonicContact OE1-NZ 3.81Å; E264-K268 PolarHBondContact OE1-NZ 3.03Å; H265-K268 PolarHBondContact O-N 3.32Å; I266-K268 PolarHBondContact O-N 3.3Å; K268-F270 VanDerWaalsContact C-N 3.3Å; K268-P271 WeakPolarHBondContact O-CD 3.18Å
269Q98.6Very high98.4Very high115 Ų11543.4 Ų43.454%0.53722%0.218SC..Hα-helixtrans-69.2-30.8173.3-68.1-54.9-48.900112.1H265 I266 P271H265-Q269 WeakPolarHBondContact O-CG 3.45Å; H265-Q269 PolarHBondContact O-N 3.24Å; I266-Q269 PolarHBondContact O-N 3.09Å; I266-Q269 VanDerWaalsContact O-N 3.11Å; Q269-P271 VanDerWaalsContact O-CD 3.22Å; Q269-P271 WeakPolarHBondContact O-CD 3.24Å
270F98.1Very high98.4Very high78 Ų7843.7 Ų43.734%0.34222%0.22SC..SBendtrans-119.165.5-178.8-54.7-66.4000112P244 I266 I267 K268 V273 V275 R303P244-F270 HydrophobicContact CB-CB 4.5Å; P244-F270 HydrophobicContact CB-CD1 3.64Å; P244-F270 HydrophobicContact CB-CD2 3.85Å; P244-F270 HydrophobicContact CB-CE1 3.7Å; P244-F270 HydrophobicContact CB-CE2 3.9Å; P244-F270 HydrophobicContact CB-CG 3.72Å; P244-F270 HydrophobicContact CB-CZ 3.83Å; P244-F270 HydrophobicContact CG-CD1 3.54Å; P244-F270 HydrophobicContact CG-CE1 3.74Å; P244-F270 HydrophobicContact CG-CG 4.02Å; P244-F270 HydrophobicContact CG-CZ 4.37Å; I266-F270 HydrophobicContact CG2-CD2 4.06Å; I266-F270 HydrophobicContact CG2-CE2 4.3Å; I266-F270 WeakPolarHBondContact O-CD2 3.5Å; I266-F270 PolarHBondContact O-N 2.87Å; I267-F270 CarbonylContact O-C 3.48Å; K268-F270 VanDerWaalsContact C-N 3.3Å; F270-V273 HydrophobicContact CB-CG2 3.9Å; F270-V273 HydrophobicContact CD1-CG2 4.38Å; F270-V275 HydrophobicContact CB-CB 4.12Å; F270-V275 HydrophobicContact CB-CG2 4.16Å; F270-V275 HydrophobicContact CD2-CG2 3.93Å; F270-V275 HydrophobicContact CG-CG2 4.37Å; F270-R303 PolarHBondContact O-NH1 2.93Å; F270-R303 PolarHBondContact O-NH2 3.21Å
271P96.4Very high98.3Very high62 Ų6241 Ų4140%0.40321%0.211SC..THydrogen-bonded Turntrans-75.6-28.9-171.830.3-35.1000113.4K268 Q269K268-P271 WeakPolarHBondContact O-CD 3.18Å; Q269-P271 VanDerWaalsContact O-CD 3.22Å; Q269-P271 WeakPolarHBondContact O-CD 3.24Å
272N97.1Very high98.3Very high140 Ų14042.2 Ų42.275%0.74921%0.213SC*.THydrogen-bonded Turntrans-115.912.7-166.6-59.4-36.2000113.8A307N272-A307 VanDerWaalsContact C-CB 3.45Å
273V98Very high98.3Very high57 Ų5745.8 Ų45.835%0.34523%0.232SC..SBendtrans-134.6156.7177.3-63.90000109.5P244 F270 V275 R303P244-V273 HydrophobicContact CG-CG2 3.86Å; F270-V273 HydrophobicContact CB-CG2 3.9Å; F270-V273 HydrophobicContact CD1-CG2 4.38Å; V273-V275 PolarHBondContact O-N 3.03Å; V273-R303 PolarHBondContact O-NH2 3.27Å
274P98.6Very high98.3Very high39 Ų3946.4 Ų46.425%0.25324%0.235SC..  trans-57.1141.1169.7-16.126.7000109.4V243 D306 P308V243-P274 HydrophobicContact CB-CB 4.36Å; V243-P274 HydrophobicContact CG1-CB 4.03Å; V243-P274 HydrophobicContact CG1-CG 4.13Å; P274-D306 WeakPolarHBondContact CD-O 3.18Å; P274-P308 WeakPolarHBondContact CA-O 3.47Å; P274-P308 HydrophobicContact CB-CG 4.17Å
275V98.8Very high98.3Very high0 Ų046.8 Ų46.80%023%0.234CC..EExtended strand (participates in β ladder)trans-136.3123.517962.30000110.4P244 I266 I267 F270 V273 I277 P308 L309 V310P244-V275 HydrophobicContact CB-CG2 4.46Å; P244-V275 WeakPolarHBondContact O-CA 3.21Å; I266-V275 HydrophobicContact CG2-CG2 3.97Å; I267-V275 HydrophobicContact CG1-CG1 4.33Å; F270-V275 HydrophobicContact CB-CB 4.12Å; F270-V275 HydrophobicContact CB-CG2 4.16Å; F270-V275 HydrophobicContact CD2-CG2 3.93Å; F270-V275 HydrophobicContact CG-CG2 4.37Å; V273-V275 PolarHBondContact O-N 3.03Å; V275-I277 HydrophobicContact CG2-CD1 4.42Å; V275-I277 HydrophobicContact CG2-CG1 4.08Å; V275-P308 PolarHBondContact N-O 2.85Å; V275-L309 HydrophobicContact CG1-CD1 4.49Å; V275-V310 PolarHBondContact O-N 2.82Å
276S98.8Very high98.3Very high6 Ų646 Ų464%0.04223%0.233CC..EExtended strand (participates in β ladder)trans-93120.9177.6171.40000110.8P244 A245 A246 V310P244-S276 PolarHBondContact O-N 3.14Å; A245-S276 CarbonylContact C-O 3.53Å; A245-S276 WeakPolarHBondContact CA-O 3.42Å; A246-S276 PolarHBondContact N-O 3.35Å; S276-V310 CarbonylContact C-O 3.19Å; S276-V310 VanDerWaalsContact CA-O 3.27Å; S276-V310 WeakPolarHBondContact CA-O 3.36Å
277I98.8Very high98.3Very high0 Ų045.3 Ų45.30%023%0.229CC..EExtended strand (participates in β ladder)trans-119.7115-179.8-54.8178.5000109.9A246 I251 F263 I266 I267 V275 S279 W292 L309 V310 R312A246-I277 HydrophobicContact CB-CG2 4.21Å; I251-I277 HydrophobicContact CD1-CG2 3.99Å; F263-I277 HydrophobicContact CD1-CG2 3.71Å; F263-I277 HydrophobicContact CE1-CG2 3.81Å; F263-I277 HydrophobicContact CG-CG2 4.49Å; I266-I277 HydrophobicContact CB-CD1 4.14Å; I266-I277 HydrophobicContact CG2-CD1 3.76Å; I266-I277 HydrophobicContact CG2-CG1 4Å; I267-I277 HydrophobicContact CB-CD1 4.4Å; V275-I277 HydrophobicContact CG2-CD1 4.42Å; V275-I277 HydrophobicContact CG2-CG1 4.08Å; I277-S279 PolarHBondContact O-N 3.37Å; I277-S279 PolarHBondContact O-OG 2.96Å; I277-W292 HydrophobicContact CB-CZ2 4.09Å; I277-W292 HydrophobicContact CD1-CH2 3.63Å; I277-W292 HydrophobicContact CD1-CZ2 3.85Å; I277-W292 HydrophobicContact CG2-CZ2 3.97Å; I277-L309 HydrophobicContact CB-CD1 4.26Å; I277-L309 HydrophobicContact CD1-CD1 3.84Å; I277-L309 HydrophobicContact CG1-CD1 4.01Å; I277-V310 PolarHBondContact N-O 2.87Å; I277-R312 PolarHBondContact O-N 3.49Å
278V98.6Very high98.3Very high1 Ų145 Ų451%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-62120.5172.565.40000109.6A246 H248 I251 D280 R312 D314A246-V278 HydrophobicContact CB-CG1 4.36Å; H248-V278 WeakPolarHBondContact NE2-CG2 3.32Å; I251-V278 HydrophobicContact CG1-CG1 3.95Å; V278-D280 WeakPolarHBondContact CG2-OD1 3.19Å; V278-R312 WeakPolarHBondContact CA-O 3.32Å; V278-D314 HydrophobicContact CG2-CB 4.03Å
279S98.6Very high98.4Very high0 Ų043.2 Ų43.20%022%0.222CC..  trans-117.913.5-165.8-63.60000112.8I277 I284 A287 W292 R312I277-S279 PolarHBondContact O-N 3.37Å; I277-S279 PolarHBondContact O-OG 2.96Å; S279-I284 VanDerWaalsContact O-CA 3.31Å; S279-I284 WeakPolarHBondContact O-CA 3.33Å; S279-I284 WeakPolarHBondContact O-CD1 3.08Å; S279-A287 VanDerWaalsContact O-CB 3.24Å; S279-A287 WeakPolarHBondContact O-CB 3.48Å; S279-W292 PolarHBondContact OG-NE1 2.81Å; S279-W292 VanDerWaalsContact OG-NE1 3.07Å; S279-R312 PolarHBondContact N-O 2.89Å
280D97.7Very high98.4Very high17 Ų1741.1 Ų41.19%0.09121%0.211CC..  trans-115.420.2-177.376.3-26.4000113.6H248 V278 Y282 I284 D314 S315H248-D280 IonicContact CD2-OD1 3.85Å; H248-D280 IonicContact CE1-OD1 3.74Å; H248-D280 IonicContact NE2-OD1 2.72Å; H248-D280 PolarHBondContact NE2-OD1 3.07Å; V278-D280 WeakPolarHBondContact CG2-OD1 3.19Å; D280-Y282 PolarHBondContact O-N 2.99Å; D280-Y282 VanDerWaalsContact O-N 3.14Å; D280-I284 HydrophobicContact CB-CB 3.81Å; D280-I284 HydrophobicContact CB-CD1 4.28Å; D280-I284 HydrophobicContact CB-CG1 4.38Å; D280-D314 VanDerWaalsContact OD2-CA 3.24Å; D280-D314 WeakPolarHBondContact OD2-CA 3.33Å; D280-D314 WeakPolarHBondContact OD2-CB 3.37Å; D280-D314 PolarHBondContact OD2-N 3.46Å; D280-S315 VanDerWaalsContact OD2-CB 3.29Å; D280-S315 WeakPolarHBondContact OD2-CB 3.44Å; D280-S315 PolarHBondContact OD2-N 3.41Å; D280-S315 PolarHBondContact OD2-OG 3.26Å
281S98.2Very high98.4Very high23 Ų2338 Ų3816%0.16120%0.197CC..SBendtrans-56.6-32.3179.1-63.20000112.3
282Y98.3Very high98.5Very high79 Ų7935 Ų3531%0.3118%0.178SC..SBendtrans-131.6-53.5176.8-48.4-67000113.4K256 E259 D280K256-Y282 VanDerWaalsContact CA-CZ 3.42Å; K256-Y282 WeakPolarHBondContact CA-OH 3.42Å; K256-Y282 HydrophobicContact CB-CD1 4.23Å; K256-Y282 HydrophobicContact CB-CD2 4.44Å; K256-Y282 HydrophobicContact CB-CE1 3.74Å; K256-Y282 HydrophobicContact CB-CE2 4Å; K256-Y282 HydrophobicContact CD-CD1 3.8Å; K256-Y282 HydrophobicContact CD-CE1 4.11Å; K256-Y282 HydrophobicContact CD-CG 4.08Å; K256-Y282 HydrophobicContact CG-CD1 3.77Å; K256-Y282 HydrophobicContact CG-CD2 3.86Å; K256-Y282 HydrophobicContact CG-CE1 3.82Å; K256-Y282 HydrophobicContact CG-CE2 3.93Å; K256-Y282 HydrophobicContact CG-CG 3.79Å; K256-Y282 PolarHBondContact N-OH 3.31Å; E259-Y282 HydrophobicContact CB-CD2 4.18Å; E259-Y282 HydrophobicContact CB-CE2 4.05Å; E259-Y282 HydrophobicContact CG-CD2 4.26Å; E259-Y282 HydrophobicContact CG-CE2 4.33Å; E259-Y282 WeakPolarHBondContact OE1-CD2 3.28Å; D280-Y282 PolarHBondContact O-N 2.99Å; D280-Y282 VanDerWaalsContact O-N 3.14Å
283D98.6Very high98.6Very high75 Ų7528.4 Ų28.440%0.40114%0.143SC..  trans-153.4105.7178.1-177.5-19000110.5Y285 N286 A287D283-Y285 PolarHBondContact O-N 2.93Å; D283-Y285 WeakPolarHBondContact OD1-CB 3.42Å; D283-Y285 PolarHBondContact OD1-N 2.93Å; D283-N286 HydrophobicContact CB-CB 3.96Å; D283-N286 PolarHBondContact O-N 3.38Å; D283-N286 PolarHBondContact OD1-N 3.45Å; D283-N286 VanDerWaalsContact OD1-N 3.17Å; D283-A287 WeakPolarHBondContact O-CB 3.47Å; D283-A287 PolarHBondContact O-N 3.01Å
284I98.6Very high98.6Very high12 Ų1229.4 Ų29.46%0.06214%0.144CC..Hα-helixtrans-59-33-179.3-175.258.7000113.7S279 D280 C288 V311 P313 V325S279-I284 VanDerWaalsContact O-CA 3.31Å; S279-I284 WeakPolarHBondContact O-CA 3.33Å; S279-I284 WeakPolarHBondContact O-CD1 3.08Å; D280-I284 HydrophobicContact CB-CB 3.81Å; D280-I284 HydrophobicContact CB-CD1 4.28Å; D280-I284 HydrophobicContact CB-CG1 4.38Å; I284-C288 WeakPolarHBondContact O-CB 3.32Å; I284-C288 PolarHBondContact O-N 3.2Å; I284-C288 PolarHBondContact O-SG 3.45Å; I284-V311 HydrophobicContact CD1-CG1 4.47Å; I284-P313 HydrophobicContact CD1-CB 4.2Å; I284-P313 HydrophobicContact CG1-CB 4.13Å; I284-V325 HydrophobicContact CD1-CG2 4.42Å; I284-V325 HydrophobicContact CG1-CG2 3.77Å
285Y98.8Very high98.6Very high64 Ų6432.1 Ų32.125%0.25116%0.156SC..Hα-helixtrans-77-42.4-177-53.1-54.8000110.4D283 C288 E289 K324 I328D283-Y285 PolarHBondContact O-N 2.93Å; D283-Y285 WeakPolarHBondContact OD1-CB 3.42Å; D283-Y285 PolarHBondContact OD1-N 2.93Å; Y285-C288 PolarHBondContact O-N 3.23Å; Y285-E289 VanDerWaalsContact O-CB 3.3Å; Y285-E289 WeakPolarHBondContact O-CB 3.44Å; Y285-E289 PolarHBondContact O-N 3.35Å; Y285-K324 HydrophobicContact CD1-CB 4.47Å; Y285-K324 HydrophobicContact CD1-CD 3.77Å; Y285-K324 HydrophobicContact CD1-CG 3.75Å; Y285-K324 HydrophobicContact CE1-CB 3.8Å; Y285-K324 HydrophobicContact CE1-CD 3.32Å; Y285-K324 HydrophobicContact CE1-CG 3.46Å; Y285-K324 VanDerWaalsContact CE1-CG 3.46Å; Y285-K324 HydrophobicContact CE2-CD 4.22Å; Y285-K324 VanDerWaalsContact CE2-NZ 3.31Å; Y285-K324 HydrophobicContact CG-CD 4.39Å; Y285-I328 HydrophobicContact CD1-CD1 3.7Å; Y285-I328 HydrophobicContact CG-CD1 4.18Å
286N98.8Very high98.6Very high67 Ų6732.4 Ų32.436%0.35816%0.157SC..Hα-helixtrans-62.5-45.4172.2178.972.9000111.7D283 C288 E289 K290 I291D283-N286 HydrophobicContact CB-CB 3.96Å; D283-N286 PolarHBondContact O-N 3.38Å; D283-N286 PolarHBondContact OD1-N 3.45Å; D283-N286 VanDerWaalsContact OD1-N 3.17Å; N286-C288 VanDerWaalsContact C-N 3.32Å; N286-C288 PolarHBondContact O-N 3.11Å; N286-E289 PolarHBondContact O-N 2.95Å; N286-K290 WeakPolarHBondContact O-CB 3.49Å; N286-K290 PolarHBondContact O-N 3.28Å; N286-K290 WeakPolarHBondContact OD1-CG 3.25Å; N286-I291 PolarHBondContact O-N 3Å
287A98.8Very high98.6Very high0 Ų036 Ų360%017%0.17CC..Iπ-helixtrans-57.1-44.717700000111.7F263 S279 D283 I291 W292F263-A287 HydrophobicContact CE2-CB 3.99Å; F263-A287 HydrophobicContact CZ-CB 4.35Å; S279-A287 VanDerWaalsContact O-CB 3.24Å; S279-A287 WeakPolarHBondContact O-CB 3.48Å; D283-A287 WeakPolarHBondContact O-CB 3.47Å; D283-A287 PolarHBondContact O-N 3.01Å; A287-I291 WeakPolarHBondContact O-CB 3.35Å; A287-I291 PolarHBondContact O-N 3.48Å; A287-W292 VanDerWaalsContact O-CD1 3.31Å; A287-W292 PolarHBondContact O-N 2.85Å
288C98.9Very high98.6Very high0 Ų040.1 Ų40.10%020%0.197CC..Iπ-helixtrans-70.4-45.1177.3-66.60000113.1I284 Y285 N286 G293 I328 L329I284-C288 WeakPolarHBondContact O-CB 3.32Å; I284-C288 PolarHBondContact O-N 3.2Å; I284-C288 PolarHBondContact O-SG 3.45Å; Y285-C288 PolarHBondContact O-N 3.23Å; N286-C288 VanDerWaalsContact C-N 3.32Å; N286-C288 PolarHBondContact O-N 3.11Å; C288-G293 WeakPolarHBondContact O-CA 3.07Å; C288-G293 PolarHBondContact O-N 3.11Å; C288-I328 HydrophobicContact CB-CB 4.48Å; C288-I328 HydrophobicContact CB-CG2 3.78Å; C288-L329 HydrophobicContact CB-CD2 4.09Å
289E98.8Very high98.6Very high73 Ų7342.9 Ų42.934%0.34121%0.211SC..Iπ-helixtrans-78.7-47.2-171.8-165.9-176.6139.100112.7Y285 N286 G293 E294 I328 K332Y285-E289 VanDerWaalsContact O-CB 3.3Å; Y285-E289 WeakPolarHBondContact O-CB 3.44Å; Y285-E289 PolarHBondContact O-N 3.35Å; N286-E289 PolarHBondContact O-N 2.95Å; E289-G293 CarbonylContact O-C 3.48Å; E289-G293 WeakPolarHBondContact O-CA 3.29Å; E289-E294 WeakPolarHBondContact O-CG 3.47Å; E289-I328 HydrophobicContact CB-CG2 3.64Å; E289-I328 HydrophobicContact CG-CG2 4.13Å; E289-K332 HydrophobicContact CG-CD 4.1Å; E289-K332 HydrophobicContact CG-CG 4.45Å; E289-K332 VanDerWaalsContact O-CE 3.32Å; E289-K332 WeakPolarHBondContact O-CE 3.4Å
290K98.8Very high98.6Very high71 Ų7142.9 Ų42.931%0.30921%0.211SC..Iπ-helixtrans-99-45.1-170.1-56.4-55.8176.2-160.50112.4N286 E294 D295N286-K290 WeakPolarHBondContact O-CB 3.49Å; N286-K290 PolarHBondContact O-N 3.28Å; N286-K290 WeakPolarHBondContact OD1-CG 3.25Å; K290-E294 WeakPolarHBondContact CD-OE1 3.29Å; K290-E294 WeakPolarHBondContact CD-OE2 3.39Å; K290-E294 IonicContact NZ-OE1 2.6Å; K290-E294 PolarHBondContact NZ-OE1 3.15Å; K290-E294 IonicContact NZ-OE2 2.91Å; K290-E294 WeakPolarHBondContact O-CA 3.42Å; K290-E294 VanDerWaalsContact O-CB 3.24Å; K290-E294 WeakPolarHBondContact O-CB 3.43Å; K290-E294 PolarHBondContact O-N 3.45Å; K290-D295 PolarHBondContact O-N 3.1Å
291I98.8Very high98.6Very high12 Ų1245.6 Ų45.66%0.06222%0.223CC..Iπ-helixtrans-79.1-62.3-176.9-51.3-179.8000110.1E259 K260 F263 N286 A287 D295 L296E259-I291 HydrophobicContact CB-CD1 4.4Å; E259-I291 HydrophobicContact CG-CD1 4.19Å; K260-I291 HydrophobicContact CB-CG2 3.9Å; K260-I291 HydrophobicContact CG-CG2 3.91Å; F263-I291 HydrophobicContact CD2-CB 4.33Å; F263-I291 HydrophobicContact CD2-CG2 3.62Å; F263-I291 HydrophobicContact CE2-CB 4.45Å; F263-I291 HydrophobicContact CE2-CD1 4.19Å; F263-I291 HydrophobicContact CE2-CG2 4.19Å; N286-I291 PolarHBondContact O-N 3Å; A287-I291 WeakPolarHBondContact O-CB 3.35Å; A287-I291 PolarHBondContact O-N 3.48Å; I291-D295 PolarHBondContact O-N 3.36Å; I291-L296 HydrophobicContact CG2-CD1 3.87Å; I291-L296 HydrophobicContact CG2-CG 4.11Å; I291-L296 WeakPolarHBondContact O-CB 3.5Å; I291-L296 PolarHBondContact O-N 3.45Å
292W98.8Very high98.6Very high0 Ų048.5 Ų48.50%025%0.249CC..Iπ-helixtrans-70.7-41.4179.1-65.8131000112.8F263 I267 I277 S279 A287 L296 R297 I300 L309 F333F263-W292 HydrophobicContact CB-CH2 3.36Å; F263-W292 HydrophobicContact CB-CZ2 3.67Å; F263-W292 HydrophobicContact CB-CZ3 3.95Å; F263-W292 HydrophobicContact CD1-CH2 4.49Å; F263-W292 AromaticContact CD1-CZ2 3.99Å; F263-W292 HydrophobicContact CD1-CZ2 3.99Å; F263-W292 HydrophobicContact CD2-CD2 4.11Å; F263-W292 AromaticContact CD2-CE2 3.45Å; F263-W292 VanDerWaalsContact CD2-CE2 3.45Å; F263-W292 AromaticContact CD2-CH2 3.89Å; F263-W292 HydrophobicContact CD2-CH2 3.89Å; F263-W292 AromaticContact CD2-CZ2 3.33Å; F263-W292 HydrophobicContact CD2-CZ2 3.33Å; F263-W292 HydrophobicContact CD2-CZ3 4.44Å; F263-W292 AromaticContact CD2-NE1 3.8Å; F263-W292 AromaticContact CE2-CE2 3.83Å; F263-W292 AromaticContact CE2-CZ2 3.98Å; F263-W292 HydrophobicContact CE2-CZ2 3.98Å; F263-W292 AromaticContact CE2-NE1 3.66Å; F263-W292 AromaticContact CG-CH2 3.67Å; F263-W292 HydrophobicContact CG-CH2 3.67Å; F263-W292 AromaticContact CG-CZ2 3.37Å; F263-W292 HydrophobicContact CG-CZ2 3.37Å; F263-W292 HydrophobicContact CG-CZ3 4.47Å; I267-W292 HydrophobicContact CD1-CH2 4.21Å; I267-W292 HydrophobicContact CD1-CZ3 3.87Å; I277-W292 HydrophobicContact CB-CZ2 4.09Å; I277-W292 HydrophobicContact CD1-CH2 3.63Å; I277-W292 HydrophobicContact CD1-CZ2 3.85Å; I277-W292 HydrophobicContact CG2-CZ2 3.97Å; S279-W292 PolarHBondContact OG-NE1 2.81Å; S279-W292 VanDerWaalsContact OG-NE1 3.07Å; A287-W292 VanDerWaalsContact O-CD1 3.31Å; A287-W292 PolarHBondContact O-N 2.85Å; W292-L296 HydrophobicContact CE3-CB 3.96Å; W292-L296 HydrophobicContact CE3-CD1 3.93Å; W292-L296 HydrophobicContact CH2-CD1 4.3Å; W292-L296 HydrophobicContact CZ3-CB 4.16Å; W292-L296 HydrophobicContact CZ3-CD1 3.57Å; W292-R297 VanDerWaalsContact O-CA 3.26Å; W292-R297 WeakPolarHBondContact O-CA 3.42Å; W292-R297 WeakPolarHBondContact O-CB 3.46Å; W292-R297 PolarHBondContact O-N 3.33Å; W292-I300 HydrophobicContact CE3-CD1 3.67Å; W292-I300 HydrophobicContact CE3-CG1 4.13Å; W292-I300 HydrophobicContact CZ3-CD1 3.77Å; W292-L309 HydrophobicContact CD2-CD2 3.7Å; W292-L309 HydrophobicContact CE3-CD2 3.77Å; W292-L309 HydrophobicContact CG-CD2 4.18Å; W292-L309 HydrophobicContact CH2-CD1 4.24Å; W292-L309 HydrophobicContact CH2-CD2 4.25Å; W292-L309 HydrophobicContact CZ2-CD1 4.17Å; W292-L309 HydrophobicContact CZ2-CD2 4.21Å; W292-L309 HydrophobicContact CZ3-CD2 4.06Å; W292-F333 WeakPolarHBondContact O-CZ 3.45Å
293G98.6Very high98.6Very high1 Ų145.9 Ų45.91%0.0124%0.239CC..Iπ-helixtrans-82.1-13.3-17500000115.8C288 E289 R297 K332C288-G293 WeakPolarHBondContact O-CA 3.07Å; C288-G293 PolarHBondContact O-N 3.11Å; E289-G293 CarbonylContact O-C 3.48Å; E289-G293 WeakPolarHBondContact O-CA 3.29Å; G293-R297 WeakPolarHBondContact O-CD 3.29Å; G293-K332 VanDerWaalsContact C-CE 3.47Å; G293-K332 WeakPolarHBondContact O-CE 3.29Å
294E98.7Very high98.5Very high78 Ų7845.2 Ų45.236%0.36424%0.24SC..Iπ-helixtrans-129.1-72.9178.1-58.8167-170.600110.8E289 K290 L296 R297 K332E289-E294 WeakPolarHBondContact O-CG 3.47Å; K290-E294 WeakPolarHBondContact CD-OE1 3.29Å; K290-E294 WeakPolarHBondContact CD-OE2 3.39Å; K290-E294 IonicContact NZ-OE1 2.6Å; K290-E294 PolarHBondContact NZ-OE1 3.15Å; K290-E294 IonicContact NZ-OE2 2.91Å; K290-E294 WeakPolarHBondContact O-CA 3.42Å; K290-E294 VanDerWaalsContact O-CB 3.24Å; K290-E294 WeakPolarHBondContact O-CB 3.43Å; K290-E294 PolarHBondContact O-N 3.45Å; E294-L296 PolarHBondContact O-N 3.26Å; E294-R297 WeakPolarHBondContact O-CB 3.29Å; E294-R297 PolarHBondContact O-N 3.46Å; E294-K332 VanDerWaalsContact CD-NZ 3.33Å; E294-K332 IonicContact OE1-NZ 3.45Å; E294-K332 PolarHBondContact OE1-NZ 3.41Å
295D98.6Very high98.4Very high96 Ų9647.3 Ų47.351%0.51326%0.259SS..Iπ-helixtrans-60.6-46-168.8-70.2-16.1000113.7K260 K290 I291K260-D295 HydrophobicContact CD-CB 3.84Å; K260-D295 HydrophobicContact CG-CB 4.48Å; K290-D295 PolarHBondContact O-N 3.1Å; I291-D295 PolarHBondContact O-N 3.36Å
296L98.8Very high98.3Very high5 Ų550.7 Ų50.73%0.02628%0.281CS..THydrogen-bonded Turntrans-103.12-176.6-57.4-174.8000112.8K260 F263 E264 I291 W292 E294 P298 L299 I300K260-L296 HydrophobicContact CD-CD2 4.39Å; K260-L296 HydrophobicContact CG-CD1 4.13Å; K260-L296 HydrophobicContact CG-CD2 3.95Å; K260-L296 HydrophobicContact CG-CG 4.04Å; F263-L296 HydrophobicContact CB-CD1 3.62Å; E264-L296 HydrophobicContact CB-CD1 4.13Å; E264-L296 HydrophobicContact CB-CD2 3.86Å; E264-L296 HydrophobicContact CG-CD2 4.18Å; I291-L296 HydrophobicContact CG2-CD1 3.87Å; I291-L296 HydrophobicContact CG2-CG 4.11Å; I291-L296 WeakPolarHBondContact O-CB 3.5Å; I291-L296 PolarHBondContact O-N 3.45Å; W292-L296 HydrophobicContact CE3-CB 3.96Å; W292-L296 HydrophobicContact CE3-CD1 3.93Å; W292-L296 HydrophobicContact CH2-CD1 4.3Å; W292-L296 HydrophobicContact CZ3-CB 4.16Å; W292-L296 HydrophobicContact CZ3-CD1 3.57Å; E294-L296 PolarHBondContact O-N 3.26Å; L296-P298 VanDerWaalsContact C-CD 3.45Å; L296-P298 VanDerWaalsContact C-N 3.35Å; L296-L299 HydrophobicContact CD2-CD1 4.2Å; L296-L299 WeakPolarHBondContact O-CB 3.49Å; L296-L299 PolarHBondContact O-N 3.12Å; L296-I300 PolarHBondContact O-N 3.29Å
297R98.7Very high98.3Very high82 Ų8247.5 Ų47.531%0.30926%0.264SS..Hα-helixtrans-51.3-44.6-177.5175.9175172.8-177.62.3113.6W292 G293 E294 L299 I300 E301 K332 F333W292-R297 VanDerWaalsContact O-CA 3.26Å; W292-R297 WeakPolarHBondContact O-CA 3.42Å; W292-R297 WeakPolarHBondContact O-CB 3.46Å; W292-R297 PolarHBondContact O-N 3.33Å; G293-R297 WeakPolarHBondContact O-CD 3.29Å; E294-R297 WeakPolarHBondContact O-CB 3.29Å; E294-R297 PolarHBondContact O-N 3.46Å; R297-L299 PolarHBondContact O-N 3.24Å; R297-I300 WeakPolarHBondContact O-CB 3.24Å; R297-I300 PolarHBondContact O-N 2.85Å; R297-E301 HydrophobicContact CG-CG 4.13Å; R297-E301 IonicContact CZ-OE1 2.76Å; R297-E301 IonicContact NE-OE1 3.83Å; R297-E301 PolarHBondContact NE-OE1 3.45Å; R297-E301 IonicContact NE-OE2 2.79Å; R297-E301 IonicContact NH2-OE1 3.63Å; R297-E301 PolarHBondContact NH2-OE1 2.79Å; R297-E301 PolarHBondContact O-N 3.17Å; R297-K332 PolarHBondContact NE-O 2.96Å; R297-K332 PolarHBondContact NH1-O 2.85Å; R297-K332 PolarHBondContact NH2-O 2.92Å; R297-F333 HydrophobicContact CG-CE1 3.86Å; R297-F333 HydrophobicContact CG-CZ 4.33Å
298P98.5Very high98.3Very high87 Ų8748.3 Ų48.357%0.56527%0.269SS*.Hα-helixtrans-59.1-33.3178.2-25.235.7000113.4L296 I300 A302L296-P298 VanDerWaalsContact C-CD 3.45Å; L296-P298 VanDerWaalsContact C-N 3.35Å; P298-I300 VanDerWaalsContact C-N 3.33Å; P298-A302 WeakPolarHBondContact O-CB 3.19Å; P298-A302 PolarHBondContact O-N 2.89Å
299L98.2Very high98.3Very high58 Ų5848.3 Ų48.330%0.30427%0.269SS..Hα-helixtrans-70.8-31.1176-63.5178000111.9E264 I267 L296 R297 R303E264-L299 HydrophobicContact CG-CD1 3.83Å; I267-L299 HydrophobicContact CG2-CD1 4.3Å; L296-L299 HydrophobicContact CD2-CD1 4.2Å; L296-L299 WeakPolarHBondContact O-CB 3.49Å; L296-L299 PolarHBondContact O-N 3.12Å; R297-L299 PolarHBondContact O-N 3.24Å; L299-R303 VanDerWaalsContact O-CG 3.27Å; L299-R303 WeakPolarHBondContact O-CG 3.22Å
300I98.4Very high98.3Very high0 Ų045.8 Ų45.80%026%0.259CS..Hα-helixtrans-74-46.7178.6-51.4-43.2000110.5I267 W292 L296 R297 P298 A302 R303 L309 F333 Y348 I349I267-I300 HydrophobicContact CD1-CD1 3.11Å; W292-I300 HydrophobicContact CE3-CD1 3.67Å; W292-I300 HydrophobicContact CE3-CG1 4.13Å; W292-I300 HydrophobicContact CZ3-CD1 3.77Å; L296-I300 PolarHBondContact O-N 3.29Å; R297-I300 WeakPolarHBondContact O-CB 3.24Å; R297-I300 PolarHBondContact O-N 2.85Å; P298-I300 VanDerWaalsContact C-N 3.33Å; I300-A302 PolarHBondContact O-N 3.27Å; I300-R303 WeakPolarHBondContact O-CB 3.47Å; I300-R303 WeakPolarHBondContact O-CG 3.46Å; I300-R303 PolarHBondContact O-N 3.38Å; I300-R303 VanDerWaalsContact O-N 3.12Å; I300-L309 HydrophobicContact CD1-CB 4.39Å; I300-L309 HydrophobicContact CD1-CD2 3.58Å; I300-L309 HydrophobicContact CG1-CD2 4.16Å; I300-L309 HydrophobicContact CG2-CB 4.47Å; I300-L309 HydrophobicContact CG2-CD2 4.43Å; I300-F333 HydrophobicContact CB-CE1 3.96Å; I300-F333 HydrophobicContact CB-CZ 4.18Å; I300-F333 HydrophobicContact CG1-CZ 4.3Å; I300-F333 HydrophobicContact CG2-CE1 3.82Å; I300-F333 HydrophobicContact CG2-CZ 4.02Å; I300-Y348 HydrophobicContact CG2-CD2 3.88Å; I300-Y348 HydrophobicContact CG2-CE2 4.24Å; I300-Y348 WeakPolarHBondContact O-CD2 3.17Å; I300-I349 HydrophobicContact CG2-CB 4.18Å; I300-I349 HydrophobicContact CG2-CD1 4.23Å
301E98.4Very high98.3Very high74 Ų7442.4 Ų42.435%0.34624%0.244SC..Hα-helixtrans-65.6-23.3179.8-65.3-176.3152.900112.7R297 R303 F333 Y348R297-E301 HydrophobicContact CG-CG 4.13Å; R297-E301 IonicContact CZ-OE1 2.76Å; R297-E301 IonicContact NE-OE1 3.83Å; R297-E301 PolarHBondContact NE-OE1 3.45Å; R297-E301 IonicContact NE-OE2 2.79Å; R297-E301 IonicContact NH2-OE1 3.63Å; R297-E301 PolarHBondContact NH2-OE1 2.79Å; R297-E301 PolarHBondContact O-N 3.17Å; E301-R303 VanDerWaalsContact C-N 3.31Å; E301-F333 HydrophobicContact CG-CD1 4.43Å; E301-F333 HydrophobicContact CG-CE1 4.34Å; E301-Y348 HydrophobicContact CG-CE2 4.12Å
302A97.9Very high98.3Very high85 Ų8543.6 Ų43.670%0.70225%0.248SC*.THydrogen-bonded Turntrans-79.7-7.1175.800000114.3P298 I300P298-A302 WeakPolarHBondContact O-CB 3.19Å; P298-A302 PolarHBondContact O-N 2.89Å; I300-A302 PolarHBondContact O-N 3.27Å
303R97.9Very high98.2Very high24 Ų2443.6 Ų43.69%0.09125%0.248CC..SBendtrans-78.8152.4-177.9-56.5-176.564.883.9-0111.8I267 F270 V273 L299 I300 E301 A307 Y348I267-R303 PolarHBondContact O-NH1 2.94Å; I267-R303 VanDerWaalsContact O-NH1 3.17Å; F270-R303 PolarHBondContact O-NH1 2.93Å; F270-R303 PolarHBondContact O-NH2 3.21Å; V273-R303 PolarHBondContact O-NH2 3.27Å; L299-R303 VanDerWaalsContact O-CG 3.27Å; L299-R303 WeakPolarHBondContact O-CG 3.22Å; I300-R303 WeakPolarHBondContact O-CB 3.47Å; I300-R303 WeakPolarHBondContact O-CG 3.46Å; I300-R303 PolarHBondContact O-N 3.38Å; I300-R303 VanDerWaalsContact O-N 3.12Å; E301-R303 VanDerWaalsContact C-N 3.31Å; R303-A307 PolarHBondContact NE-O 3.33Å; R303-A307 PolarHBondContact NH2-O 3.12Å; R303-Y348 WeakPolarHBondContact O-CB 3.37Å
304S97.3Very high98Very high61 Ų6145.2 Ų45.243%0.42726%0.256SS..  trans-71.7153.7171.9-1770000111.7D306 A307S304-D306 PolarHBondContact O-N 2.87Å; S304-D306 PolarHBondContact OG-N 2.97Å; S304-A307 CarbonylContact O-C 3.47Å; S304-A307 PolarHBondContact O-N 3.22Å
305A96Very high97.8Very high55 Ų5544.2 Ų44.246%0.45526%0.258SS..THydrogen-bonded Turntrans-56.6-30.6167.700000112.9A307 P308 P347A305-A307 VanDerWaalsContact C-N 3.28Å; A305-P308 WeakPolarHBondContact O-CD 3.49Å; A305-P347 HydrophobicContact CB-CB 3.65Å; A305-P347 HydrophobicContact CB-CG 4.04Å
306D96.8Very high97.6Very high135 Ų13542.2 Ų42.272%0.72226%0.26SS*.THydrogen-bonded Turntrans-81.8-8.2177.8-57.4-47.5000113.1P274 S304 P308P274-D306 WeakPolarHBondContact CD-O 3.18Å; S304-D306 PolarHBondContact O-N 2.87Å; S304-D306 PolarHBondContact OG-N 2.97Å; D306-P308 VanDerWaalsContact C-CD 3.44Å
307A97.9Very high97.6Very high1 Ų146 Ų461%0.00828%0.28CS..SBendtrans-131.250.1-176.200000112.2N272 R303 S304 A305N272-A307 VanDerWaalsContact C-CB 3.45Å; R303-A307 PolarHBondContact NE-O 3.33Å; R303-A307 PolarHBondContact NH2-O 3.12Å; S304-A307 CarbonylContact O-C 3.47Å; S304-A307 PolarHBondContact O-N 3.22Å; A305-A307 VanDerWaalsContact C-N 3.28Å
308P98.5Very high97.5Very high16 Ų1643 Ų4310%0.10427%0.272CS..  trans-65.6150.9-173.628.6-35.6000112.5P274 V275 A305 D306 V310 Y348 R350P274-P308 WeakPolarHBondContact CA-O 3.47Å; P274-P308 HydrophobicContact CB-CG 4.17Å; V275-P308 PolarHBondContact N-O 2.85Å; A305-P308 WeakPolarHBondContact O-CD 3.49Å; D306-P308 VanDerWaalsContact C-CD 3.44Å; P308-V310 HydrophobicContact CG-CG2 4.39Å; P308-Y348 CarbonylContact C-O 3.57Å; P308-Y348 VanDerWaalsContact CA-O 3.23Å; P308-Y348 WeakPolarHBondContact CA-O 3.31Å; P308-R350 HydrophobicContact CB-CG 4.44Å
309L98.8Very high97.5Very high0 Ų041 Ų410%026%0.256CS..EExtended strand (participates in β ladder)trans-67.9129.2155171.263.3000108I267 V275 I277 W292 I300 V311 Y348 I349 R350I267-L309 HydrophobicContact CD1-CB 4.34Å; I267-L309 HydrophobicContact CD1-CD1 4.25Å; I267-L309 HydrophobicContact CD1-CD2 4.41Å; V275-L309 HydrophobicContact CG1-CD1 4.49Å; I277-L309 HydrophobicContact CB-CD1 4.26Å; I277-L309 HydrophobicContact CD1-CD1 3.84Å; I277-L309 HydrophobicContact CG1-CD1 4.01Å; W292-L309 HydrophobicContact CD2-CD2 3.7Å; W292-L309 HydrophobicContact CE3-CD2 3.77Å; W292-L309 HydrophobicContact CG-CD2 4.18Å; W292-L309 HydrophobicContact CH2-CD1 4.24Å; W292-L309 HydrophobicContact CH2-CD2 4.25Å; W292-L309 HydrophobicContact CZ2-CD1 4.17Å; W292-L309 HydrophobicContact CZ2-CD2 4.21Å; W292-L309 HydrophobicContact CZ3-CD2 4.06Å; I300-L309 HydrophobicContact CD1-CB 4.39Å; I300-L309 HydrophobicContact CD1-CD2 3.58Å; I300-L309 HydrophobicContact CG1-CD2 4.16Å; I300-L309 HydrophobicContact CG2-CB 4.47Å; I300-L309 HydrophobicContact CG2-CD2 4.43Å; L309-V311 HydrophobicContact CD2-CG2 3.91Å; L309-V311 HydrophobicContact CG-CG2 4.05Å; L309-Y348 PolarHBondContact N-O 2.83Å; L309-I349 HydrophobicContact CD2-CD1 4.33Å; L309-I349 CarbonylContact O-C 3.48Å; L309-I349 VanDerWaalsContact O-CA 3.32Å; L309-I349 WeakPolarHBondContact O-CA 3.3Å; L309-R350 PolarHBondContact O-N 2.68Å
310V98.8Very high97.5Very high20 Ų2042.8 Ų42.812%0.12127%0.266CS..EExtended strand (participates in β ladder)trans-109.4103171.2-172.30000108.2V275 S276 I277 P308 R312 R350 I352V275-V310 PolarHBondContact O-N 2.82Å; S276-V310 CarbonylContact C-O 3.19Å; S276-V310 VanDerWaalsContact CA-O 3.27Å; S276-V310 WeakPolarHBondContact CA-O 3.36Å; I277-V310 PolarHBondContact N-O 2.87Å; P308-V310 HydrophobicContact CG-CG2 4.39Å; V310-R312 PolarHBondContact O-N 3.42Å; V310-R350 CarbonylContact C-O 3.54Å; V310-R350 WeakPolarHBondContact CA-O 3.1Å; V310-R350 HydrophobicContact CG2-CB 4.41Å; V310-I352 HydrophobicContact CG1-CB 3.61Å; V310-I352 HydrophobicContact CG1-CG2 3.52Å
311V98.9Very high97.5Very high0 Ų043 Ų430%027%0.267CS..EExtended strand (participates in β ladder)trans-72.8127.6178.6-179.90000108.9I284 L309 P313 L329 I349 R350 V351 I352I284-V311 HydrophobicContact CD1-CG1 4.47Å; L309-V311 HydrophobicContact CD2-CG2 3.91Å; L309-V311 HydrophobicContact CG-CG2 4.05Å; V311-P313 WeakPolarHBondContact O-CD 3.27Å; V311-L329 HydrophobicContact CG2-CD1 4.34Å; V311-I349 HydrophobicContact CG2-CD1 4.1Å; V311-I349 HydrophobicContact CG2-CG1 4.29Å; V311-R350 PolarHBondContact N-O 2.96Å; V311-V351 CarbonylContact O-C 3.56Å; V311-V351 WeakPolarHBondContact O-CA 3.42Å; V311-I352 PolarHBondContact O-N 3.33Å
312R98.8Very high97.5Very high37 Ų3739.4 Ų39.414%0.1425%0.25CS..EExtended strand (participates in β ladder)trans-116.3102.9-178179.5178168.1-167.3-4.4112.2I277 V278 S279 V310 D314 I352I277-R312 PolarHBondContact O-N 3.49Å; V278-R312 WeakPolarHBondContact CA-O 3.32Å; S279-R312 PolarHBondContact N-O 2.89Å; V310-R312 PolarHBondContact O-N 3.42Å; R312-D314 IonicContact CZ-OD1 3.07Å; R312-D314 IonicContact NE-OD1 2.84Å; R312-D314 PolarHBondContact NE-OD1 3.35Å; R312-D314 VanDerWaalsContact NH2-CG 3.34Å; R312-D314 IonicContact NH2-OD1 3.22Å; R312-D314 PolarHBondContact NH2-OD1 3.32Å; R312-D314 IonicContact NH2-OD2 2.78Å; R312-D314 PolarHBondContact NH2-OD2 3.05Å; R312-I352 WeakPolarHBondContact CA-O 3.39Å; R312-I352 HydrophobicContact CB-CG2 3.58Å; R312-I352 HydrophobicContact CG-CG2 3.82Å
313P97.4Very high97.6Very high0 Ų036.1 Ų36.10%022%0.221CC..  trans-69.5144.8155.928.1-34.6000111.6I284 V311 T321 V351 I352I284-P313 HydrophobicContact CD1-CB 4.2Å; I284-P313 HydrophobicContact CG1-CB 4.13Å; V311-P313 WeakPolarHBondContact O-CD 3.27Å; P313-T321 HydrophobicContact CB-CG2 3.61Å; P313-T321 HydrophobicContact CG-CG2 4.29Å; P313-V351 HydrophobicContact CG-CG1 4.38Å; P313-I352 WeakPolarHBondContact CD-O 3.27Å
314D95.4Very high97.6Very high35 Ų3539.4 Ų39.419%0.18724%0.236CC..  trans-140.619.4-177.7-145.954.8000113H248 V278 D280 R312 D355H248-D314 IonicContact CE1-OD2 3.83Å; H248-D314 PolarHBondContact CE1-OD2 2.89Å; V278-D314 HydrophobicContact CG2-CB 4.03Å; D280-D314 VanDerWaalsContact OD2-CA 3.24Å; D280-D314 WeakPolarHBondContact OD2-CA 3.33Å; D280-D314 WeakPolarHBondContact OD2-CB 3.37Å; D280-D314 PolarHBondContact OD2-N 3.46Å; R312-D314 IonicContact CZ-OD1 3.07Å; R312-D314 IonicContact NE-OD1 2.84Å; R312-D314 PolarHBondContact NE-OD1 3.35Å; R312-D314 VanDerWaalsContact NH2-CG 3.34Å; R312-D314 IonicContact NH2-OD1 3.22Å; R312-D314 PolarHBondContact NH2-OD1 3.32Å; R312-D314 IonicContact NH2-OD2 2.78Å; R312-D314 PolarHBondContact NH2-OD2 3.05Å; D314-D355 VanDerWaalsContact O-CB 3.29Å; D314-D355 WeakPolarHBondContact O-CB 3.16Å
315S93.6Very high97.7Very high57 Ų5736.5 Ų36.540%0.39922%0.215SC..SBendtrans-158.9164.4179.260.30000113D280 T321D280-S315 VanDerWaalsContact OD2-CB 3.29Å; D280-S315 WeakPolarHBondContact OD2-CB 3.44Å; D280-S315 PolarHBondContact OD2-N 3.41Å; D280-S315 PolarHBondContact OD2-OG 3.26Å; S315-T321 PolarHBondContact O-OG1 3.13Å
316G95.3Very high97.8Very high54 Ų5433.9 Ų33.956%0.55719%0.194SC*.SBendtrans92.4-168.1-18000000113.7P318G316-P318 WeakPolarHBondContact O-CD 3.4Å
317N97.8Very high97.9Very high84 Ų8431.3 Ų31.345%0.44918%0.177SC..  trans-72.9122.6172.2178.7-66.4000108.8L319 D320 T321N317-L319 PolarHBondContact O-N 2.87Å; N317-L319 PolarHBondContact OD1-N 3.15Å; N317-L319 VanDerWaalsContact OD1-N 3.07Å; N317-D320 HydrophobicContact CB-CB 4.08Å; N317-D320 WeakPolarHBondContact CB-OD2 3.4Å; N317-D320 VanDerWaalsContact CG-OD2 3.27Å; N317-D320 PolarHBondContact O-N 2.98Å; N317-D320 PolarHBondContact OD1-N 3.28Å; N317-D320 VanDerWaalsContact OD1-N 3.16Å; N317-D320 PolarHBondContact OD1-OD2 3.13Å; N317-T321 VanDerWaalsContact O-CB 3.27Å; N317-T321 WeakPolarHBondContact O-CB 3.48Å; N317-T321 PolarHBondContact O-N 2.97Å; N317-T321 PolarHBondContact O-OG1 3.44Å
318P97.1Very high98Very high21 Ų2132 Ų3214%0.13618%0.181CC..Hα-helixtrans-58.6-41.7-171.9-28.236000114.5G316 V322 I365G316-P318 WeakPolarHBondContact O-CD 3.4Å; P318-V322 WeakPolarHBondContact O-CB 3.18Å; P318-V322 WeakPolarHBondContact O-CG2 3.18Å; P318-V322 PolarHBondContact O-N 3.44Å; P318-V322 VanDerWaalsContact O-N 3.16Å; P318-I365 HydrophobicContact CB-CD1 3.75Å; P318-I365 HydrophobicContact CB-CG1 4.27Å
319L98.3Very high98Very high44 Ų4431.2 Ų31.223%0.2318%0.176CC..Hα-helixtrans-70.2-50.9-179.7169.660.2000111N317 T321 V322 L323 I365N317-L319 PolarHBondContact O-N 2.87Å; N317-L319 PolarHBondContact OD1-N 3.15Å; N317-L319 VanDerWaalsContact OD1-N 3.07Å; L319-T321 VanDerWaalsContact C-N 3.33Å; L319-T321 PolarHBondContact O-N 2.71Å; L319-V322 PolarHBondContact O-N 3.46Å; L319-L323 HydrophobicContact CD1-CD1 3.76Å; L319-L323 HydrophobicContact CD1-CG 3.87Å; L319-L323 HydrophobicContact CG-CD1 4.22Å; L319-L323 WeakPolarHBondContact O-CG 3.01Å; L319-L323 PolarHBondContact O-N 3.46Å; L319-I365 HydrophobicContact CB-CG1 4.31Å
320D98.3Very high98Very high95 Ų9532 Ų3251%0.50818%0.184SC..Hα-helixtrans-63.3-42.6-176-58.9-29.8000111.1N317 K324N317-D320 HydrophobicContact CB-CB 4.08Å; N317-D320 WeakPolarHBondContact CB-OD2 3.4Å; N317-D320 VanDerWaalsContact CG-OD2 3.27Å; N317-D320 PolarHBondContact O-N 2.98Å; N317-D320 PolarHBondContact OD1-N 3.28Å; N317-D320 VanDerWaalsContact OD1-N 3.16Å; N317-D320 PolarHBondContact OD1-OD2 3.13Å; D320-K324 WeakPolarHBondContact O-CB 3.23Å; D320-K324 PolarHBondContact O-N 3.44Å
321T98.6Very high98Very high4 Ų439.2 Ų39.23%0.02521%0.214CC..Hα-helixtrans-61.9-48.5177-64.40000110.7P313 S315 N317 L319 L323 K324 V325P313-T321 HydrophobicContact CB-CG2 3.61Å; P313-T321 HydrophobicContact CG-CG2 4.29Å; S315-T321 PolarHBondContact O-OG1 3.13Å; N317-T321 VanDerWaalsContact O-CB 3.27Å; N317-T321 WeakPolarHBondContact O-CB 3.48Å; N317-T321 PolarHBondContact O-N 2.97Å; N317-T321 PolarHBondContact O-OG1 3.44Å; L319-T321 VanDerWaalsContact C-N 3.33Å; L319-T321 PolarHBondContact O-N 2.71Å; T321-L323 PolarHBondContact O-N 3Å; T321-K324 PolarHBondContact O-N 2.83Å; T321-V325 HydrophobicContact CG2-CG2 4.29Å; T321-V325 WeakPolarHBondContact O-CB 3.29Å; T321-V325 VanDerWaalsContact O-CG2 3.28Å; T321-V325 WeakPolarHBondContact O-CG2 3.48Å; T321-V325 PolarHBondContact O-N 3.25Å
322V98.8Very high98Very high0 Ų041.1 Ų41.10%022%0.222CC..Hα-helixtrans-59.5-48.3179.3164.90000111.4P318 L319 K324 V325 L326 Q353 I365 M369 I379P318-V322 WeakPolarHBondContact O-CB 3.18Å; P318-V322 WeakPolarHBondContact O-CG2 3.18Å; P318-V322 PolarHBondContact O-N 3.44Å; P318-V322 VanDerWaalsContact O-N 3.16Å; L319-V322 PolarHBondContact O-N 3.46Å; V322-K324 PolarHBondContact O-N 2.8Å; V322-V325 PolarHBondContact O-N 2.78Å; V322-L326 HydrophobicContact CG1-CD1 3.84Å; V322-L326 HydrophobicContact CG1-CG 4.47Å; V322-L326 WeakPolarHBondContact O-CB 3.27Å; V322-L326 WeakPolarHBondContact O-CG 3.42Å; V322-L326 PolarHBondContact O-N 3.09Å; V322-Q353 HydrophobicContact CG2-CB 3.83Å; V322-Q353 HydrophobicContact CG2-CG 3.99Å; V322-I365 HydrophobicContact CB-CG2 4.29Å; V322-I365 HydrophobicContact CG1-CG2 3.99Å; V322-I365 HydrophobicContact CG2-CG2 4.28Å; V322-M369 HydrophobicContact CG1-CG 4.17Å; V322-M369 HydrophobicContact CG1-SD 3.96Å; V322-I379 HydrophobicContact CB-CD1 4.44Å; V322-I379 HydrophobicContact CG1-CD1 3.58Å; V322-I379 HydrophobicContact CG2-CD1 3.9Å
323L98.8Very high98Very high15 Ų1539.6 Ų39.68%0.07922%0.217CC..Hα-helixtrans-60.8-46.6179.8-71.8-179.4000111.5L319 T321 V325 L326 E327 M369 H372L319-L323 HydrophobicContact CD1-CD1 3.76Å; L319-L323 HydrophobicContact CD1-CG 3.87Å; L319-L323 HydrophobicContact CG-CD1 4.22Å; L319-L323 WeakPolarHBondContact O-CG 3.01Å; L319-L323 PolarHBondContact O-N 3.46Å; T321-L323 PolarHBondContact O-N 3Å; L323-V325 PolarHBondContact O-N 3.32Å; L323-L326 PolarHBondContact O-N 3.15Å; L323-E327 WeakPolarHBondContact O-CG 3.4Å; L323-E327 PolarHBondContact O-N 3.41Å; L323-M369 HydrophobicContact CD2-CG 4.29Å; L323-H372 HydrophobicContact CD2-CB 3.94Å
324K98.8Very high98Very high93 Ų9343.4 Ų43.440%0.40424%0.241SC..Hα-helixtrans-67.1-37.8-179.1-173.2166.9168.8-1630112.5Y285 D320 T321 V322 E327 I328Y285-K324 HydrophobicContact CD1-CB 4.47Å; Y285-K324 HydrophobicContact CD1-CD 3.77Å; Y285-K324 HydrophobicContact CD1-CG 3.75Å; Y285-K324 HydrophobicContact CE1-CB 3.8Å; Y285-K324 HydrophobicContact CE1-CD 3.32Å; Y285-K324 HydrophobicContact CE1-CG 3.46Å; Y285-K324 VanDerWaalsContact CE1-CG 3.46Å; Y285-K324 HydrophobicContact CE2-CD 4.22Å; Y285-K324 VanDerWaalsContact CE2-NZ 3.31Å; Y285-K324 HydrophobicContact CG-CD 4.39Å; D320-K324 WeakPolarHBondContact O-CB 3.23Å; D320-K324 PolarHBondContact O-N 3.44Å; T321-K324 PolarHBondContact O-N 2.83Å; V322-K324 PolarHBondContact O-N 2.8Å; K324-E327 PolarHBondContact O-N 3.25Å; K324-I328 HydrophobicContact CG-CD1 4.21Å; K324-I328 VanDerWaalsContact O-CG1 3.3Å; K324-I328 WeakPolarHBondContact O-CG1 3.34Å; K324-I328 PolarHBondContact O-N 3.18Å
325V98.9Very high98.1Very high0 Ų044.3 Ų44.30%025%0.248CC..Hα-helixtrans-61.7-48.4172.71670000110.6I284 T321 V322 L323 E327 I328 L329 V351I284-V325 HydrophobicContact CD1-CG2 4.42Å; I284-V325 HydrophobicContact CG1-CG2 3.77Å; T321-V325 HydrophobicContact CG2-CG2 4.29Å; T321-V325 WeakPolarHBondContact O-CB 3.29Å; T321-V325 VanDerWaalsContact O-CG2 3.28Å; T321-V325 WeakPolarHBondContact O-CG2 3.48Å; T321-V325 PolarHBondContact O-N 3.25Å; V322-V325 PolarHBondContact O-N 2.78Å; L323-V325 PolarHBondContact O-N 3.32Å; V325-E327 VanDerWaalsContact C-N 3.33Å; V325-E327 PolarHBondContact O-N 2.87Å; V325-I328 PolarHBondContact O-N 2.73Å; V325-L329 HydrophobicContact CG1-CD1 3.86Å; V325-L329 HydrophobicContact CG1-CG 4.29Å; V325-L329 WeakPolarHBondContact O-CG 3.25Å; V325-L329 PolarHBondContact O-N 3.47Å; V325-V351 HydrophobicContact CG1-CG2 4.06Å
326L98.9Very high98.3Very high0 Ų046.3 Ų46.30%025%0.251CS..Hα-helixtrans-60.9-40.8177.7-71.9169.3000112.1V322 L323 G330 L345 V351 M369 W374 N378V322-L326 HydrophobicContact CG1-CD1 3.84Å; V322-L326 HydrophobicContact CG1-CG 4.47Å; V322-L326 WeakPolarHBondContact O-CB 3.27Å; V322-L326 WeakPolarHBondContact O-CG 3.42Å; V322-L326 PolarHBondContact O-N 3.09Å; L323-L326 PolarHBondContact O-N 3.15Å; L326-G330 WeakPolarHBondContact O-CA 3.35Å; L326-G330 PolarHBondContact O-N 3.36Å; L326-L345 HydrophobicContact CD2-CD1 3.99Å; L326-V351 HydrophobicContact CD2-CG2 4Å; L326-M369 HydrophobicContact CD1-CE 3.74Å; L326-M369 HydrophobicContact CD1-CG 4.16Å; L326-M369 HydrophobicContact CD1-SD 4.23Å; L326-W374 HydrophobicContact CB-CD2 3.96Å; L326-W374 HydrophobicContact CB-CE3 4.44Å; L326-W374 HydrophobicContact CB-CG 4.33Å; L326-W374 HydrophobicContact CB-CH2 4.46Å; L326-W374 HydrophobicContact CB-CZ2 3.99Å; L326-W374 HydrophobicContact CD1-CB 4.14Å; L326-W374 HydrophobicContact CD1-CD2 4.25Å; L326-W374 HydrophobicContact CD1-CG 3.96Å; L326-W374 HydrophobicContact CD2-CE3 4.43Å; L326-W374 WeakPolarHBondContact O-CH2 3.32Å; L326-W374 WeakPolarHBondContact O-CZ2 3.32Å; L326-N378 HydrophobicContact CD2-CB 3.96Å
327E98.8Very high98.4Very high81 Ų8150.5 Ų50.538%0.37926%0.256SS..Hα-helixtrans-62.7-43.4175.5-76.3-179.4-175.300113.1L323 K324 V325 G330 K331L323-E327 WeakPolarHBondContact O-CG 3.4Å; L323-E327 PolarHBondContact O-N 3.41Å; K324-E327 PolarHBondContact O-N 3.25Å; V325-E327 VanDerWaalsContact C-N 3.33Å; V325-E327 PolarHBondContact O-N 2.87Å; E327-G330 PolarHBondContact O-N 2.75Å; E327-K331 WeakPolarHBondContact O-CG 3.3Å; E327-K331 PolarHBondContact O-N 3.31Å; E327-K331 VanDerWaalsContact O-N 3.14Å
328I98.9Very high98.4Very high16 Ų1647.6 Ų47.68%0.08224%0.241CC..Hα-helixtrans-63.2-54.1176.4-70.3166.4000109.4Y285 C288 E289 K324 V325 G330 K331 K332Y285-I328 HydrophobicContact CD1-CD1 3.7Å; Y285-I328 HydrophobicContact CG-CD1 4.18Å; C288-I328 HydrophobicContact CB-CB 4.48Å; C288-I328 HydrophobicContact CB-CG2 3.78Å; E289-I328 HydrophobicContact CB-CG2 3.64Å; E289-I328 HydrophobicContact CG-CG2 4.13Å; K324-I328 HydrophobicContact CG-CD1 4.21Å; K324-I328 VanDerWaalsContact O-CG1 3.3Å; K324-I328 WeakPolarHBondContact O-CG1 3.34Å; K324-I328 PolarHBondContact O-N 3.18Å; V325-I328 PolarHBondContact O-N 2.73Å; I328-G330 PolarHBondContact O-N 3.13Å; I328-K331 PolarHBondContact O-N 3.39Å; I328-K332 HydrophobicContact CG2-CG 4.36Å; I328-K332 WeakPolarHBondContact O-CG 3.39Å; I328-K332 PolarHBondContact O-N 3.36Å
329L98.9Very high98.5Very high0 Ų051.8 Ų51.80%028%0.277CS..Hα-helixtrans-59.6-38.6-179.8-64.9179.8000111.3C288 V311 V325 K331 K332 F333 L345 I349 V351C288-L329 HydrophobicContact CB-CD2 4.09Å; V311-L329 HydrophobicContact CG2-CD1 4.34Å; V325-L329 HydrophobicContact CG1-CD1 3.86Å; V325-L329 HydrophobicContact CG1-CG 4.29Å; V325-L329 WeakPolarHBondContact O-CG 3.25Å; V325-L329 PolarHBondContact O-N 3.47Å; L329-K331 VanDerWaalsContact C-N 3.27Å; L329-K331 PolarHBondContact O-N 3.23Å; L329-K332 PolarHBondContact O-N 3.09Å; L329-K332 VanDerWaalsContact O-N 3.15Å; L329-F333 HydrophobicContact CB-CD2 4.41Å; L329-F333 HydrophobicContact CD2-CD2 4.11Å; L329-F333 HydrophobicContact CD2-CE2 3.88Å; L329-F333 WeakPolarHBondContact O-CB 3.17Å; L329-F333 PolarHBondContact O-N 2.98Å; L329-L345 HydrophobicContact CB-CD2 3.88Å; L329-L345 HydrophobicContact CD1-CD1 4.3Å; L329-I349 HydrophobicContact CD1-CD1 4.19Å; L329-I349 HydrophobicContact CD2-CD1 3.91Å; L329-V351 HydrophobicContact CD1-CG2 3.89Å
330G98.7Very high98.5Very high17 Ų1755 Ų5518%0.17529%0.289CS..Hα-helixtrans-65-25.1176.500000115.2L326 E327 I328L326-G330 WeakPolarHBondContact O-CA 3.35Å; L326-G330 PolarHBondContact O-N 3.36Å; E327-G330 PolarHBondContact O-N 2.75Å; I328-G330 PolarHBondContact O-N 3.13Å
331K98.7Very high98.5Very high170 Ų17051.4 Ų51.474%0.73927%0.274SS*.Hα-helixtrans-83.6-30.7172-71170.5-174.3171.40112.3E327 I328 L329E327-K331 WeakPolarHBondContact O-CG 3.3Å; E327-K331 PolarHBondContact O-N 3.31Å; E327-K331 VanDerWaalsContact O-N 3.14Å; I328-K331 PolarHBondContact O-N 3.39Å; L329-K331 VanDerWaalsContact C-N 3.27Å; L329-K331 PolarHBondContact O-N 3.23Å
332K98.8Very high98.5Very high41 Ų4152.1 Ų52.118%0.17828%0.277CS..Hα-helixtrans-89.1-28.6-176-60.2-56-62.6-171.90113.4E289 G293 E294 R297 I328 L329E289-K332 HydrophobicContact CG-CD 4.1Å; E289-K332 HydrophobicContact CG-CG 4.45Å; E289-K332 VanDerWaalsContact O-CE 3.32Å; E289-K332 WeakPolarHBondContact O-CE 3.4Å; G293-K332 VanDerWaalsContact C-CE 3.47Å; G293-K332 WeakPolarHBondContact O-CE 3.29Å; E294-K332 VanDerWaalsContact CD-NZ 3.33Å; E294-K332 IonicContact OE1-NZ 3.45Å; E294-K332 PolarHBondContact OE1-NZ 3.41Å; R297-K332 PolarHBondContact NE-O 2.96Å; R297-K332 PolarHBondContact NH1-O 2.85Å; R297-K332 PolarHBondContact NH2-O 2.92Å; I328-K332 HydrophobicContact CG2-CG 4.36Å; I328-K332 WeakPolarHBondContact O-CG 3.39Å; I328-K332 PolarHBondContact O-N 3.36Å; L329-K332 PolarHBondContact O-N 3.09Å; L329-K332 VanDerWaalsContact O-N 3.15Å
333F98.6Very high98.5Very high5 Ų555.2 Ų55.22%0.02229%0.29CS..THydrogen-bonded Turntrans-120.3147.5-177.7-65.7-82.3000111.3W292 R297 I300 E301 L329 T335 P346 Y348 I349W292-F333 WeakPolarHBondContact O-CZ 3.45Å; R297-F333 HydrophobicContact CG-CE1 3.86Å; R297-F333 HydrophobicContact CG-CZ 4.33Å; I300-F333 HydrophobicContact CB-CE1 3.96Å; I300-F333 HydrophobicContact CB-CZ 4.18Å; I300-F333 HydrophobicContact CG1-CZ 4.3Å; I300-F333 HydrophobicContact CG2-CE1 3.82Å; I300-F333 HydrophobicContact CG2-CZ 4.02Å; E301-F333 HydrophobicContact CG-CD1 4.43Å; E301-F333 HydrophobicContact CG-CE1 4.34Å; L329-F333 HydrophobicContact CB-CD2 4.41Å; L329-F333 HydrophobicContact CD2-CD2 4.11Å; L329-F333 HydrophobicContact CD2-CE2 3.88Å; L329-F333 WeakPolarHBondContact O-CB 3.17Å; L329-F333 PolarHBondContact O-N 2.98Å; F333-T335 PolarHBondContact O-N 3.46Å; F333-P346 HydrophobicContact CB-CG 3.98Å; F333-Y348 HydrophobicContact CD1-CE2 4.03Å; F333-Y348 HydrophobicContact CE1-CE2 4.4Å; F333-I349 HydrophobicContact CD2-CD1 4.06Å; F333-I349 HydrophobicContact CE2-CD1 3.67Å; F333-I349 HydrophobicContact CG-CG2 4.48Å; F333-I349 HydrophobicContact CZ-CD1 3.97Å
334P97.3Very high98.5Very high79 Ų7954.6 Ų54.651%0.51329%0.287SS..THydrogen-bonded Turntrans-71.9100.5-174.728.2-33.5000111.4P346P334-P346 HydrophobicContact CG-CG 4.02Å; P334-P346 WeakPolarHBondContact O-CD 3.35Å; P334-P346 VanDerWaalsContact O-CG 3.27Å; P334-P346 WeakPolarHBondContact O-CG 3.34Å
335T97.9Very high98.5Very high55 Ų5550.2 Ų50.234%0.33727%0.268SS..  trans-75.1155.3173.650.70000111.4F333 V344 L345 W374F333-T335 PolarHBondContact O-N 3.46Å; T335-V344 WeakPolarHBondContact CA-O 3.5Å; T335-L345 HydrophobicContact CG2-CD2 4.04Å; T335-W374 HydrophobicContact CG2-CH2 3.95Å; T335-W374 HydrophobicContact CG2-CZ3 4.07Å
336H97.6Very high98.5Very high99 Ų9950.5 Ų50.546%0.45827%0.27SS..EExtended strand (participates in β ladder)trans-126162.4166.770.6-78.9000110K343 V344H336-K343 WeakPolarHBondContact O-CA 3.27Å; H336-V344 VanDerWaalsContact CE1-CB 3.5Å; H336-V344 WeakPolarHBondContact CE1-CB 3.42Å; H336-V344 PolarHBondContact N-O 3.16Å; H336-V344 PolarHBondContact ND1-O 2.5Å; H336-V344 PolarHBondContact O-N 3.24Å
337E98.4Very high98.5Very high142 Ų14253.5 Ų53.566%0.66429%0.289SS*.EExtended strand (participates in β ladder)trans-97.6128.5173-166.9175.8114.600108.9G341 F342E337-G341 WeakPolarHBondContact OE1-CA 3.26Å; E337-F342 WeakPolarHBondContact CA-O 3.45Å
338N98.4Very high98.4Very high23 Ų2351.2 Ų51.212%0.12328%0.277CS..  trans-80.5177.7177.870.415.9000111.7T180 K340 G341 F342 V344 E377T180-N338 PolarHBondContact O-ND2 2.63Å; N338-K340 PolarHBondContact O-N 2.71Å; N338-K340 WeakPolarHBondContact OD1-CA 3.42Å; N338-K340 WeakPolarHBondContact OD1-CB 3.26Å; N338-K340 PolarHBondContact OD1-N 3.2Å; N338-G341 PolarHBondContact O-N 2.78Å; N338-G341 PolarHBondContact OD1-N 3.44Å; N338-F342 PolarHBondContact N-O 3.09Å; N338-F342 PolarHBondContact OD1-N 3.04Å; N338-F342 PolarHBondContact OD1-O 2.85Å; N338-V344 HydrophobicContact CB-CG2 3.93Å; N338-E377 PolarHBondContact ND2-OE2 2.68Å
339A97.8Very high98.4Very high109 Ų10950.4 Ų50.490%0.90127%0.273SS*.THydrogen-bonded Turntrans-63-11.2-178.800000114.8
340K98.3Very high98.4Very high112 Ų11252.9 Ų52.949%0.48728%0.283SS..THydrogen-bonded Turntrans-97.6-0.5175.3-65.7-62-171.5177.70113.2N338 F342N338-K340 PolarHBondContact O-N 2.71Å; N338-K340 WeakPolarHBondContact OD1-CA 3.42Å; N338-K340 WeakPolarHBondContact OD1-CB 3.26Å; N338-K340 PolarHBondContact OD1-N 3.2Å; K340-F342 HydrophobicContact CB-CD2 3.75Å; K340-F342 HydrophobicContact CB-CE2 4.2Å; K340-F342 VanDerWaalsContact O-CD2 3.3Å; K340-F342 WeakPolarHBondContact O-CD2 3.35Å; K340-F342 WeakPolarHBondContact O-CE2 3.39Å
341G98.3Very high98.4Very high18 Ų1852.1 Ų52.119%0.18627%0.274CS..SBendtrans85.514.6-179.500000114.3E337 N338 M373E337-G341 WeakPolarHBondContact OE1-CA 3.26Å; N338-G341 PolarHBondContact O-N 2.78Å; N338-G341 PolarHBondContact OD1-N 3.44Å; G341-M373 WeakPolarHBondContact O-CE 3.37Å
342F98.8Very high98.4Very high19 Ų1944.7 Ų44.78%0.08324%0.243CC..  trans-103.8143.6-177.6-70.4-97000111.8T180 E337 N338 K340 K370 M373T180-F342 HydrophobicContact CG2-CD1 3.82Å; T180-F342 HydrophobicContact CG2-CD2 4.37Å; T180-F342 HydrophobicContact CG2-CE1 3.62Å; T180-F342 HydrophobicContact CG2-CE2 4.18Å; T180-F342 HydrophobicContact CG2-CG 4.23Å; T180-F342 HydrophobicContact CG2-CZ 3.81Å; T180-F342 WeakPolarHBondContact O-CD2 3.43Å; E337-F342 WeakPolarHBondContact CA-O 3.45Å; N338-F342 PolarHBondContact N-O 3.09Å; N338-F342 PolarHBondContact OD1-N 3.04Å; N338-F342 PolarHBondContact OD1-O 2.85Å; K340-F342 HydrophobicContact CB-CD2 3.75Å; K340-F342 HydrophobicContact CB-CE2 4.2Å; K340-F342 VanDerWaalsContact O-CD2 3.3Å; K340-F342 WeakPolarHBondContact O-CD2 3.35Å; K340-F342 WeakPolarHBondContact O-CE2 3.39Å; F342-K370 HydrophobicContact CE1-CB 4.43Å; F342-K370 HydrophobicContact CE1-CG 3.92Å; F342-K370 WeakPolarHBondContact CE1-O 3.42Å; F342-K370 HydrophobicContact CZ-CG 4.07Å; F342-M373 HydrophobicContact CD1-CE 4.46Å; F342-M373 HydrophobicContact CE1-CE 4.27Å; F342-M373 HydrophobicContact CE1-SD 4.33Å; F342-M373 HydrophobicContact CZ-CE 4.33Å
343K98.9Very high98.4Very high66 Ų6642.7 Ų42.729%0.28723%0.234SC..EExtended strand (participates in β ladder)trans-68.2133.7176-65.9171.3-66.6-164.30110.9H336 H372 M373 W374 S375 N378H336-K343 WeakPolarHBondContact O-CA 3.27Å; K343-H372 VanDerWaalsContact CE-O 3.27Å; K343-H372 WeakPolarHBondContact CE-O 3.47Å; K343-H372 PolarHBondContact NZ-O 3.31Å; K343-M373 WeakPolarHBondContact CB-O 3.5Å; K343-M373 WeakPolarHBondContact CE-O 3.44Å; K343-M373 PolarHBondContact N-O 3Å; K343-W374 HydrophobicContact CB-CD2 4.06Å; K343-W374 HydrophobicContact CB-CE3 3.48Å; K343-W374 VanDerWaalsContact CB-CE3 3.48Å; K343-W374 HydrophobicContact CB-CH2 4.15Å; K343-W374 HydrophobicContact CB-CZ3 3.54Å; K343-W374 HydrophobicContact CD-CD2 4.44Å; K343-W374 HydrophobicContact CD-CH2 4.24Å; K343-W374 HydrophobicContact CD-CZ2 4.12Å; K343-W374 HydrophobicContact CD-CZ3 4.45Å; K343-S375 PolarHBondContact O-N 2.94Å; K343-N378 PolarHBondContact O-ND2 3.46Å
344V98.8Very high98.2Very high2 Ų243 Ų431%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-129.8129.6177-174.80000109.4T335 H336 N338 E377 N378T335-V344 WeakPolarHBondContact CA-O 3.5Å; H336-V344 VanDerWaalsContact CE1-CB 3.5Å; H336-V344 WeakPolarHBondContact CE1-CB 3.42Å; H336-V344 PolarHBondContact N-O 3.16Å; H336-V344 PolarHBondContact ND1-O 2.5Å; H336-V344 PolarHBondContact O-N 3.24Å; N338-V344 HydrophobicContact CB-CG2 3.93Å; V344-E377 WeakPolarHBondContact CG2-OE2 3.23Å; V344-N378 WeakPolarHBondContact CA-OD1 3.46Å
345L98.9Very high98.1Very high0 Ų042.1 Ų42.10%023%0.229CC..  trans-65.9152.7172.5-70.1172.7000110.5L326 L329 T335 I349 R350 V351 W374 N378L326-L345 HydrophobicContact CD2-CD1 3.99Å; L329-L345 HydrophobicContact CB-CD2 3.88Å; L329-L345 HydrophobicContact CD1-CD1 4.3Å; T335-L345 HydrophobicContact CG2-CD2 4.04Å; L345-I349 HydrophobicContact CB-CG2 4.17Å; L345-R350 PolarHBondContact O-NH1 2.8Å; L345-V351 HydrophobicContact CD1-CG2 4.47Å; L345-W374 HydrophobicContact CD2-CZ3 4.42Å; L345-W374 HydrophobicContact CG-CZ3 4.42Å; L345-N378 WeakPolarHBondContact CB-OD1 3.45Å; L345-N378 HydrophobicContact CD1-CB 4.42Å; L345-N378 PolarHBondContact N-OD1 2.9Å
346P98.6Very high97.9Very high7 Ų741.4 Ų41.45%0.04523%0.233CC..  trans-51.3146.9171.8-20.126.2000112F333 P334 Y348 I349 R350F333-P346 HydrophobicContact CB-CG 3.98Å; P334-P346 HydrophobicContact CG-CG 4.02Å; P334-P346 WeakPolarHBondContact O-CD 3.35Å; P334-P346 VanDerWaalsContact O-CG 3.27Å; P334-P346 WeakPolarHBondContact O-CG 3.34Å; P346-Y348 HydrophobicContact CB-CD1 3.95Å; P346-Y348 HydrophobicContact CB-CD2 4.03Å; P346-Y348 HydrophobicContact CB-CE1 3.41Å; P346-Y348 VanDerWaalsContact CB-CE1 3.41Å; P346-Y348 HydrophobicContact CB-CE2 3.53Å; P346-Y348 HydrophobicContact CB-CG 4.23Å; P346-Y348 WeakPolarHBondContact CB-OH 3.08Å; P346-Y348 HydrophobicContact CG-CE1 4.34Å; P346-Y348 HydrophobicContact CG-CE2 3.92Å; P346-Y348 WeakPolarHBondContact CG-OH 3.45Å; P346-Y348 PolarHBondContact O-N 2.88Å; P346-I349 HydrophobicContact CG-CG2 4.46Å; P346-I349 PolarHBondContact O-N 2.83Å; P346-I349 VanDerWaalsContact O-N 3.07Å; P346-R350 PolarHBondContact O-NH1 2.82Å
347P98.2Very high97.9Very high62 Ų6236.9 Ų36.940%0.40321%0.213SC..THydrogen-bonded Turntrans-62.7-18.6-169.427.3-36.6000114.5A305A305-P347 HydrophobicContact CB-CB 3.65Å; A305-P347 HydrophobicContact CB-CG 4.04Å
348Y98.5Very high97.9Very high33 Ų3331.4 Ų31.413%0.12919%0.188CC..THydrogen-bonded Turntrans-84.60.1178.850.6-108.6000114.8I300 E301 R303 P308 L309 F333 P346I300-Y348 HydrophobicContact CG2-CD2 3.88Å; I300-Y348 HydrophobicContact CG2-CE2 4.24Å; I300-Y348 WeakPolarHBondContact O-CD2 3.17Å; E301-Y348 HydrophobicContact CG-CE2 4.12Å; R303-Y348 WeakPolarHBondContact O-CB 3.37Å; P308-Y348 CarbonylContact C-O 3.57Å; P308-Y348 VanDerWaalsContact CA-O 3.23Å; P308-Y348 WeakPolarHBondContact CA-O 3.31Å; L309-Y348 PolarHBondContact N-O 2.83Å; F333-Y348 HydrophobicContact CD1-CE2 4.03Å; F333-Y348 HydrophobicContact CE1-CE2 4.4Å; P346-Y348 HydrophobicContact CB-CD1 3.95Å; P346-Y348 HydrophobicContact CB-CD2 4.03Å; P346-Y348 HydrophobicContact CB-CE1 3.41Å; P346-Y348 VanDerWaalsContact CB-CE1 3.41Å; P346-Y348 HydrophobicContact CB-CE2 3.53Å; P346-Y348 HydrophobicContact CB-CG 4.23Å; P346-Y348 WeakPolarHBondContact CB-OH 3.08Å; P346-Y348 HydrophobicContact CG-CE1 4.34Å; P346-Y348 HydrophobicContact CG-CE2 3.92Å; P346-Y348 WeakPolarHBondContact CG-OH 3.45Å; P346-Y348 PolarHBondContact O-N 2.88Å
349I98.8Very high97.9Very high0 Ų030.9 Ų30.90%019%0.185CC..EExtended strand (participates in β ladder)trans-139.5131.5175.9-169.6170.7000112.2I300 L309 V311 L329 F333 L345 P346I300-I349 HydrophobicContact CG2-CB 4.18Å; I300-I349 HydrophobicContact CG2-CD1 4.23Å; L309-I349 HydrophobicContact CD2-CD1 4.33Å; L309-I349 CarbonylContact O-C 3.48Å; L309-I349 VanDerWaalsContact O-CA 3.32Å; L309-I349 WeakPolarHBondContact O-CA 3.3Å; V311-I349 HydrophobicContact CG2-CD1 4.1Å; V311-I349 HydrophobicContact CG2-CG1 4.29Å; L329-I349 HydrophobicContact CD1-CD1 4.19Å; L329-I349 HydrophobicContact CD2-CD1 3.91Å; F333-I349 HydrophobicContact CD2-CD1 4.06Å; F333-I349 HydrophobicContact CE2-CD1 3.67Å; F333-I349 HydrophobicContact CG-CG2 4.48Å; F333-I349 HydrophobicContact CZ-CD1 3.97Å; L345-I349 HydrophobicContact CB-CG2 4.17Å; P346-I349 HydrophobicContact CG-CG2 4.46Å; P346-I349 PolarHBondContact O-N 2.83Å; P346-I349 VanDerWaalsContact O-N 3.07Å
350R98.8Very high97.8Very high52 Ų5228.8 Ų28.820%0.19616%0.158CC..EExtended strand (participates in β ladder)trans-138.4173.6178.9-66.7-67.1179.5-956.7110.4P308 L309 V310 V311 L345 P346 E377P308-R350 HydrophobicContact CB-CG 4.44Å; L309-R350 PolarHBondContact O-N 2.68Å; V310-R350 CarbonylContact C-O 3.54Å; V310-R350 WeakPolarHBondContact CA-O 3.1Å; V310-R350 HydrophobicContact CG2-CB 4.41Å; V311-R350 PolarHBondContact N-O 2.96Å; L345-R350 PolarHBondContact O-NH1 2.8Å; P346-R350 PolarHBondContact O-NH1 2.82Å; R350-E377 WeakPolarHBondContact CD-O 3.18Å; R350-E377 PolarHBondContact NE-O 2.98Å
351V98.9Very high97.7Very high0 Ų024.9 Ų24.90%014%0.144CC..EExtended strand (participates in β ladder)trans-119.4145.1176.8-179.90000110.1V311 P313 V325 L326 L329 L345 N378 I379 A380V311-V351 CarbonylContact O-C 3.56Å; V311-V351 WeakPolarHBondContact O-CA 3.42Å; P313-V351 HydrophobicContact CG-CG1 4.38Å; V325-V351 HydrophobicContact CG1-CG2 4.06Å; L326-V351 HydrophobicContact CD2-CG2 4Å; L329-V351 HydrophobicContact CD1-CG2 3.89Å; L345-V351 HydrophobicContact CD1-CG2 4.47Å; V351-N378 PolarHBondContact N-O 2.96Å; V351-I379 HydrophobicContact CB-CG1 4.35Å; V351-I379 HydrophobicContact CG1-CD1 4.17Å; V351-I379 HydrophobicContact CG1-CG1 4.36Å; V351-I379 CarbonylContact O-C 3.54Å; V351-I379 VanDerWaalsContact O-CA 3.3Å; V351-I379 WeakPolarHBondContact O-CA 3.44Å; V351-A380 PolarHBondContact O-N 2.84Å
352I98.8Very high97.7Very high14 Ų1424 Ų247%0.07214%0.135CC..EExtended strand (participates in β ladder)trans-126.1121.1164-170.9171.8000110.4F194 V310 V311 R312 P313 A380F194-I352 HydrophobicContact CE2-CD1 4.46Å; F194-I352 HydrophobicContact CZ-CD1 3.96Å; V310-I352 HydrophobicContact CG1-CB 3.61Å; V310-I352 HydrophobicContact CG1-CG2 3.52Å; V311-I352 PolarHBondContact O-N 3.33Å; R312-I352 WeakPolarHBondContact CA-O 3.39Å; R312-I352 HydrophobicContact CB-CG2 3.58Å; R312-I352 HydrophobicContact CG-CG2 3.82Å; P313-I352 WeakPolarHBondContact CD-O 3.27Å; I352-A380 VanDerWaalsContact CA-O 3.27Å; I352-A380 WeakPolarHBondContact CA-O 3.35Å; I352-A380 HydrophobicContact CD1-CB 4.47Å; I352-A380 HydrophobicContact CG1-CB 4.24Å
353Q98.6Very high97.7Very high0 Ų025 Ų250%014%0.14CC..EExtended strand (participates in β ladder)trans-91.1112.7172.1175.360.438.600108.8V322 D355 V357 I365 I379 A380 F381 G382V322-Q353 HydrophobicContact CG2-CB 3.83Å; V322-Q353 HydrophobicContact CG2-CG 3.99Å; Q353-D355 PolarHBondContact NE2-O 3.38Å; Q353-V357 HydrophobicContact CG-CG2 3.87Å; Q353-V357 WeakPolarHBondContact O-CG2 3.3Å; Q353-I365 HydrophobicContact CG-CD1 4.17Å; Q353-I379 HydrophobicContact CB-CD1 4.24Å; Q353-A380 PolarHBondContact N-O 3.42Å; Q353-A380 VanDerWaalsContact N-O 3.09Å; Q353-F381 HydrophobicContact CB-CD1 4.12Å; Q353-F381 HydrophobicContact CB-CE1 4.35Å; Q353-F381 CarbonylContact O-C 3.56Å; Q353-F381 WeakPolarHBondContact O-CA 3.45Å; Q353-G382 PolarHBondContact O-N 2.77Å
354G94.4Very high97.6Very high11 Ų1125.6 Ų25.611%0.11314%0.144CC..  trans-105.2-19.4-176.800000115.3G382G354-G382 CarbonylContact C-O 3.58Å; G354-G382 WeakPolarHBondContact CA-O 3.32Å
355D93.9Very high97.6Very high60 Ų6025.6 Ų25.632%0.32114%0.144SC..SBendtrans-96.1145.8-176.8179.149.6000112.4D314 Q353 V357D314-D355 VanDerWaalsContact O-CB 3.29Å; D314-D355 WeakPolarHBondContact O-CB 3.16Å; Q353-D355 PolarHBondContact NE2-O 3.38Å; D355-V357 WeakPolarHBondContact O-CG2 3.38Å; D355-V357 PolarHBondContact O-N 3.21Å
356G94.7Very high97.6Very high40 Ų4025.6 Ų25.641%0.41214%0.144SC..SBendtrans61.613173.600000116.3D358 T361G356-D358 PolarHBondContact O-N 2.81Å; G356-T361 WeakPolarHBondContact O-CB 3.49Å; G356-T361 PolarHBondContact O-OG1 3.17Å
357V98.1Very high97.6Very high5 Ų528.1 Ų28.13%0.0316%0.155CC..  trans-82107.3-177.6-174.90000111.1Q353 D355 T361 L362 F381 G382 S383 A386Q353-V357 HydrophobicContact CG-CG2 3.87Å; Q353-V357 WeakPolarHBondContact O-CG2 3.3Å; D355-V357 WeakPolarHBondContact O-CG2 3.38Å; D355-V357 PolarHBondContact O-N 3.21Å; V357-T361 WeakPolarHBondContact CA-OG1 3.38Å; V357-L362 HydrophobicContact CG1-CB 4.35Å; V357-F381 HydrophobicContact CG1-CB 4.25Å; V357-F381 HydrophobicContact CG1-CD1 4.31Å; V357-F381 HydrophobicContact CG2-CD1 4.19Å; V357-G382 WeakPolarHBondContact CB-O 3.34Å; V357-G382 WeakPolarHBondContact CG2-O 3.37Å; V357-S383 PolarHBondContact O-OG 3.11Å; V357-A386 WeakPolarHBondContact O-CB 3.46Å
358D97.5Very high97.6Very high26 Ų2625.5 Ų25.514%0.13914%0.14CC..  trans-121.2177.9159.480.627.1000110G356 N360 T361 L362 A386 K390G356-D358 PolarHBondContact O-N 2.81Å; D358-N360 PolarHBondContact O-N 2.88Å; D358-N360 VanDerWaalsContact O-N 3.12Å; D358-N360 WeakPolarHBondContact OD1-CB 3.26Å; D358-N360 PolarHBondContact OD1-N 3.45Å; D358-N360 PolarHBondContact OD1-ND2 3.04Å; D358-N360 VanDerWaalsContact OD1-ND2 3.12Å; D358-T361 PolarHBondContact N-OG1 2.82Å; D358-T361 PolarHBondContact O-N 2.81Å; D358-T361 PolarHBondContact O-OG1 3.27Å; D358-T361 PolarHBondContact OD1-N 3.19Å; D358-L362 VanDerWaalsContact O-CB 3.23Å; D358-L362 WeakPolarHBondContact O-CB 3.43Å; D358-L362 PolarHBondContact O-N 2.79Å; D358-A386 HydrophobicContact CB-CB 3.45Å; D358-A386 VanDerWaalsContact CB-CB 3.45Å; D358-K390 IonicContact OD2-NZ 3.5Å; D358-K390 PolarHBondContact OD2-NZ 2.67Å
359I97.4Very high97.6Very high13 Ų1324 Ų247%0.06713%0.133CC..Hα-helixtrans-57.7-29.5-175.9-168.3165.9000113.8V52 E168 Q169 I172 Q363V52-I359 HydrophobicContact CB-CD1 4.18Å; V52-I359 HydrophobicContact CG1-CD1 3.73Å; V52-I359 HydrophobicContact CG2-CD1 4.12Å; V52-I359 HydrophobicContact CG2-CG1 4.05Å; E168-I359 HydrophobicContact CB-CD1 3.73Å; Q169-I359 HydrophobicContact CG-CB 3.82Å; Q169-I359 HydrophobicContact CG-CD1 3.94Å; Q169-I359 HydrophobicContact CG-CG1 3.6Å; I172-I359 HydrophobicContact CD1-CD1 4.3Å; I172-I359 HydrophobicContact CD1-CG1 3.72Å; I359-Q363 PolarHBondContact O-N 2.93Å
360N96Very high97.6Very high64 Ų6426.8 Ų26.834%0.34215%0.146SC..Hα-helixtrans-81.7-44.8-179.2-49.5-75.5000111D358 L362 Q363 E364D358-N360 PolarHBondContact O-N 2.88Å; D358-N360 VanDerWaalsContact O-N 3.12Å; D358-N360 WeakPolarHBondContact OD1-CB 3.26Å; D358-N360 PolarHBondContact OD1-N 3.45Å; D358-N360 PolarHBondContact OD1-ND2 3.04Å; D358-N360 VanDerWaalsContact OD1-ND2 3.12Å; N360-L362 VanDerWaalsContact C-N 3.32Å; N360-Q363 WeakPolarHBondContact O-CB 3.44Å; N360-Q363 PolarHBondContact O-N 3.25Å; N360-E364 WeakPolarHBondContact O-CG 3.3Å; N360-E364 PolarHBondContact O-N 2.87Å
361T97.2Very high97.6Very high30 Ų3030.3 Ų30.318%0.18416%0.164CC..Hα-helixtrans-69.2-33.717856.20000111.2G356 V357 D358 Q363 E364 I365G356-T361 WeakPolarHBondContact O-CB 3.49Å; G356-T361 PolarHBondContact O-OG1 3.17Å; V357-T361 WeakPolarHBondContact CA-OG1 3.38Å; D358-T361 PolarHBondContact N-OG1 2.82Å; D358-T361 PolarHBondContact O-N 2.81Å; D358-T361 PolarHBondContact O-OG1 3.27Å; D358-T361 PolarHBondContact OD1-N 3.19Å; T361-Q363 VanDerWaalsContact C-N 3.35Å; T361-Q363 PolarHBondContact O-N 3Å; T361-E364 PolarHBondContact O-N 2.68Å; T361-I365 WeakPolarHBondContact O-CD1 3.41Å; T361-I365 WeakPolarHBondContact O-CG1 3.36Å; T361-I365 PolarHBondContact O-N 2.94Å
362L98.5Very high97.6Very high0 Ų034.5 Ų34.50%018%0.183CC..Hα-helixtrans-53.9-51.6169.1177.167.3000111.2Q169 I172 L173 V357 D358 N360 E364 I365 V366 F381Q169-L362 HydrophobicContact CB-CD2 3.6Å; Q169-L362 HydrophobicContact CG-CD2 3.68Å; I172-L362 HydrophobicContact CG2-CG 4.44Å; L173-L362 HydrophobicContact CD1-CD2 4.4Å; L173-L362 HydrophobicContact CD2-CD1 4.04Å; L173-L362 HydrophobicContact CG-CD1 4.32Å; L173-L362 HydrophobicContact CG-CD2 4.25Å; V357-L362 HydrophobicContact CG1-CB 4.35Å; D358-L362 VanDerWaalsContact O-CB 3.23Å; D358-L362 WeakPolarHBondContact O-CB 3.43Å; D358-L362 PolarHBondContact O-N 2.79Å; N360-L362 VanDerWaalsContact C-N 3.32Å; L362-E364 VanDerWaalsContact C-N 3.33Å; L362-E364 PolarHBondContact O-N 3.14Å; L362-I365 PolarHBondContact O-N 3.47Å; L362-V366 HydrophobicContact CD1-CG1 4.47Å; L362-V366 WeakPolarHBondContact O-CG2 3.32Å; L362-V366 PolarHBondContact O-N 2.85Å; L362-V366 VanDerWaalsContact O-N 3.1Å; L362-F381 HydrophobicContact CD1-CB 4.31Å; L362-F381 HydrophobicContact CD1-CD1 3.74Å; L362-F381 HydrophobicContact CD1-CD2 3.46Å; L362-F381 VanDerWaalsContact CD1-CD2 3.46Å; L362-F381 HydrophobicContact CD1-CE1 3.83Å; L362-F381 HydrophobicContact CD1-CE2 3.56Å; L362-F381 HydrophobicContact CD1-CG 3.55Å; L362-F381 HydrophobicContact CD1-CZ 3.75Å
363Q97.4Very high97.6Very high41 Ų4138 Ų3819%0.19220%0.201CC..Hα-helixtrans-60.1-41.3177.6174.359.367.100112.1I172 Y176 I359 N360 T361 V366 E367I172-Q363 HydrophobicContact CD1-CB 4.25Å; I172-Q363 HydrophobicContact CG2-CB 4.36Å; Y176-Q363 VanDerWaalsContact CE2-NE2 3.29Å; Y176-Q363 VanDerWaalsContact CZ-NE2 3.29Å; Y176-Q363 PolarHBondContact OH-NE2 2.76Å; I359-Q363 PolarHBondContact O-N 2.93Å; N360-Q363 WeakPolarHBondContact O-CB 3.44Å; N360-Q363 PolarHBondContact O-N 3.25Å; T361-Q363 VanDerWaalsContact C-N 3.35Å; T361-Q363 PolarHBondContact O-N 3Å; Q363-V366 WeakPolarHBondContact O-CG2 3.48Å; Q363-E367 VanDerWaalsContact O-CB 3.27Å; Q363-E367 WeakPolarHBondContact O-CB 3.4Å; Q363-E367 PolarHBondContact O-N 3.45Å; Q363-E367 VanDerWaalsContact O-N 3.15Å
364E97.5Very high97.6Very high78 Ų7838.2 Ų38.236%0.36420%0.202SC..Hα-helixtrans-66-41.8178.2-72.5166-174.600112K51 N360 T361 L362 G368K51-E364 IonicContact NZ-OE1 2.71Å; K51-E364 PolarHBondContact NZ-OE1 3.09Å; N360-E364 WeakPolarHBondContact O-CG 3.3Å; N360-E364 PolarHBondContact O-N 2.87Å; T361-E364 PolarHBondContact O-N 2.68Å; L362-E364 VanDerWaalsContact C-N 3.33Å; L362-E364 PolarHBondContact O-N 3.14Å; E364-G368 PolarHBondContact O-N 3.31Å
365I98.6Very high97.8Very high1 Ų137.7 Ų37.71%0.00520%0.196CC..Hα-helixtrans-64.6-50.8179.2-64.6159.2000110.8P318 L319 V322 Q353 T361 L362 E367 G368 M369 F381P318-I365 HydrophobicContact CB-CD1 3.75Å; P318-I365 HydrophobicContact CB-CG1 4.27Å; L319-I365 HydrophobicContact CB-CG1 4.31Å; V322-I365 HydrophobicContact CB-CG2 4.29Å; V322-I365 HydrophobicContact CG1-CG2 3.99Å; V322-I365 HydrophobicContact CG2-CG2 4.28Å; Q353-I365 HydrophobicContact CG-CD1 4.17Å; T361-I365 WeakPolarHBondContact O-CD1 3.41Å; T361-I365 WeakPolarHBondContact O-CG1 3.36Å; T361-I365 PolarHBondContact O-N 2.94Å; L362-I365 PolarHBondContact O-N 3.47Å; I365-E367 PolarHBondContact O-N 3.2Å; I365-G368 PolarHBondContact O-N 3.33Å; I365-M369 HydrophobicContact CG2-CG 4.34Å; I365-M369 HydrophobicContact CG2-SD 3.99Å; I365-M369 WeakPolarHBondContact O-CB 3.32Å; I365-M369 VanDerWaalsContact O-CG 3.32Å; I365-M369 WeakPolarHBondContact O-CG 3.37Å; I365-M369 PolarHBondContact O-N 3.26Å; I365-F381 HydrophobicContact CB-CE1 4.08Å; I365-F381 HydrophobicContact CB-CZ 4.36Å; I365-F381 HydrophobicContact CD1-CD1 4.48Å; I365-F381 HydrophobicContact CD1-CE1 3.86Å; I365-F381 HydrophobicContact CG2-CE1 3.74Å; I365-F381 HydrophobicContact CG2-CZ 3.88Å
366V98.6Very high98Very high0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-67.8-35.3-176.5-60.60000112.6I172 L173 Y176 L362 Q363 K370 I376 F381I172-V366 HydrophobicContact CG2-CG2 3.79Å; L173-V366 HydrophobicContact CD2-CG1 4.36Å; Y176-V366 HydrophobicContact CD1-CB 4.09Å; Y176-V366 HydrophobicContact CD1-CG2 3.94Å; Y176-V366 HydrophobicContact CD2-CB 4.16Å; Y176-V366 HydrophobicContact CD2-CG2 3.34Å; Y176-V366 HydrophobicContact CE1-CG2 4.24Å; Y176-V366 HydrophobicContact CE2-CG2 3.7Å; Y176-V366 HydrophobicContact CG-CB 3.79Å; Y176-V366 HydrophobicContact CG-CG2 3.5Å; Y176-V366 VanDerWaalsContact CG-CG2 3.5Å; L362-V366 HydrophobicContact CD1-CG1 4.47Å; L362-V366 WeakPolarHBondContact O-CG2 3.32Å; L362-V366 PolarHBondContact O-N 2.85Å; L362-V366 VanDerWaalsContact O-N 3.1Å; Q363-V366 WeakPolarHBondContact O-CG2 3.48Å; V366-K370 WeakPolarHBondContact O-CB 3.44Å; V366-K370 PolarHBondContact O-N 3.47Å; V366-I376 HydrophobicContact CB-CD1 3.77Å; V366-I376 HydrophobicContact CB-CG1 4.45Å; V366-I376 HydrophobicContact CG1-CD1 3.9Å; V366-F381 HydrophobicContact CG1-CE2 3.96Å; V366-F381 HydrophobicContact CG1-CZ 3.79Å
367E98.3Very high98.2Very high60 Ų6035.6 Ų35.628%0.2817%0.174SC..Hα-helixtrans-65.4-45.7172.6179.273.3170.900111Y176 Q363 I365 M369 K370 H371Y176-E367 HydrophobicContact CE1-CB 4.12Å; Y176-E367 WeakPolarHBondContact CE1-OE2 3.48Å; Y176-E367 PolarHBondContact OH-OE2 2.76Å; Q363-E367 VanDerWaalsContact O-CB 3.27Å; Q363-E367 WeakPolarHBondContact O-CB 3.4Å; Q363-E367 PolarHBondContact O-N 3.45Å; Q363-E367 VanDerWaalsContact O-N 3.15Å; I365-E367 PolarHBondContact O-N 3.2Å; E367-M369 PolarHBondContact O-N 2.95Å; E367-K370 PolarHBondContact O-N 3.07Å; E367-H371 PolarHBondContact O-N 3Å; E367-H371 IonicContact OE1-CE1 3.92Å; E367-H371 PolarHBondContact OE1-CE1 3.49Å; E367-H371 IonicContact OE1-NE2 2.68Å; E367-H371 PolarHBondContact OE1-NE2 3.43Å
368G98.6Very high98.2Very high8 Ų835.4 Ų35.48%0.08217%0.172CC..Hα-helixtrans-62.3-41.8176.900000112.7E364 I365 H371 H372E364-G368 PolarHBondContact O-N 3.31Å; I365-G368 PolarHBondContact O-N 3.33Å; G368-H371 PolarHBondContact O-N 2.74Å; G368-H372 PolarHBondContact O-N 3.08Å; G368-H372 VanDerWaalsContact O-N 3.11Å; G368-H372 PolarHBondContact O-ND1 3.34Å
369M98.8Very high98.3Very high0 Ų034.3 Ų34.30%017%0.166CC..Hα-helixtrans-59.9-47.1173.7-75178.663.900111.7V322 L323 L326 I365 E367 H371 H372 M373 W374 S375 I376 I379V322-M369 HydrophobicContact CG1-CG 4.17Å; V322-M369 HydrophobicContact CG1-SD 3.96Å; L323-M369 HydrophobicContact CD2-CG 4.29Å; L326-M369 HydrophobicContact CD1-CE 3.74Å; L326-M369 HydrophobicContact CD1-CG 4.16Å; L326-M369 HydrophobicContact CD1-SD 4.23Å; I365-M369 HydrophobicContact CG2-CG 4.34Å; I365-M369 HydrophobicContact CG2-SD 3.99Å; I365-M369 WeakPolarHBondContact O-CB 3.32Å; I365-M369 VanDerWaalsContact O-CG 3.32Å; I365-M369 WeakPolarHBondContact O-CG 3.37Å; I365-M369 PolarHBondContact O-N 3.26Å; E367-M369 PolarHBondContact O-N 2.95Å; M369-H371 PolarHBondContact O-N 3.05Å; M369-H372 CarbonylContact O-C 3.55Å; M369-H372 PolarHBondContact O-N 3.24Å; M369-H372 VanDerWaalsContact O-N 3.11Å; M369-M373 PolarHBondContact O-N 3.33Å; M369-W374 CarbonylContact C-O 3.54Å; M369-W374 HydrophobicContact CB-CB 4.19Å; M369-W374 HydrophobicContact CE-CB 4.21Å; M369-W374 PolarHBondContact O-N 3.04Å; M369-S375 WeakPolarHBondContact CE-O 3.34Å; M369-I376 HydrophobicContact CB-CD1 3.99Å; M369-I376 HydrophobicContact CE-CD1 3.92Å; M369-I376 HydrophobicContact SD-CD1 4.02Å; M369-I379 HydrophobicContact CE-CB 4.09Å; M369-I379 HydrophobicContact CE-CG2 3.64Å; M369-I379 HydrophobicContact SD-CB 4.31Å; M369-I379 HydrophobicContact SD-CD1 4.09Å; M369-I379 HydrophobicContact SD-CG2 3.69Å
370K98.6Very high98.4Very high59 Ų5934.8 Ų34.826%0.25717%0.172SC..Hα-helixtrans-57.2-48176.2179.9-173.9174.4-174.90111.1Y176 E179 T180 F342 V366 E367 H372 M373Y176-K370 HydrophobicContact CD1-CB 4.18Å; Y176-K370 HydrophobicContact CD1-CD 3.97Å; Y176-K370 HydrophobicContact CE1-CB 4.33Å; Y176-K370 HydrophobicContact CE1-CD 3.8Å; E179-K370 IonicContact OE1-NZ 2.63Å; E179-K370 WeakPolarHBondContact OE2-CD 3.39Å; E179-K370 VanDerWaalsContact OE2-CE 3.27Å; E179-K370 WeakPolarHBondContact OE2-CE 3.19Å; E179-K370 IonicContact OE2-NZ 2.94Å; E179-K370 PolarHBondContact OE2-NZ 3.2Å; T180-K370 HydrophobicContact CG2-CB 4.25Å; T180-K370 HydrophobicContact CG2-CG 4.15Å; F342-K370 HydrophobicContact CE1-CB 4.43Å; F342-K370 HydrophobicContact CE1-CG 3.92Å; F342-K370 WeakPolarHBondContact CE1-O 3.42Å; F342-K370 HydrophobicContact CZ-CG 4.07Å; V366-K370 WeakPolarHBondContact O-CB 3.44Å; V366-K370 PolarHBondContact O-N 3.47Å; E367-K370 PolarHBondContact O-N 3.07Å; K370-H372 PolarHBondContact O-N 3.1Å; K370-M373 PolarHBondContact O-N 3.04Å
371H98.6Very high98.5Very high126 Ų12631.7 Ų31.758%0.58316%0.156SC*.Hα-helixtrans-59.8-30.5177.4-73155.2000113.8E367 G368 M369 M373E367-H371 PolarHBondContact O-N 3Å; E367-H371 IonicContact OE1-CE1 3.92Å; E367-H371 PolarHBondContact OE1-CE1 3.49Å; E367-H371 IonicContact OE1-NE2 2.68Å; E367-H371 PolarHBondContact OE1-NE2 3.43Å; G368-H371 PolarHBondContact O-N 2.74Å; M369-H371 PolarHBondContact O-N 3.05Å; H371-M373 VanDerWaalsContact C-N 3.3Å
372H98.7Very high98.6Very high88 Ų8830.3 Ų30.341%0.40715%0.147SC..THydrogen-bonded Turntrans-93.816.2177.5-66.779.6000113.2L323 K343 G368 M369 K370 W374L323-H372 HydrophobicContact CD2-CB 3.94Å; K343-H372 VanDerWaalsContact CE-O 3.27Å; K343-H372 WeakPolarHBondContact CE-O 3.47Å; K343-H372 PolarHBondContact NZ-O 3.31Å; G368-H372 PolarHBondContact O-N 3.08Å; G368-H372 VanDerWaalsContact O-N 3.11Å; G368-H372 PolarHBondContact O-ND1 3.34Å; M369-H372 CarbonylContact O-C 3.55Å; M369-H372 PolarHBondContact O-N 3.24Å; M369-H372 VanDerWaalsContact O-N 3.11Å; K370-H372 PolarHBondContact O-N 3.1Å; H372-W374 VanDerWaalsContact C-N 3.25Å; H372-W374 PolarHBondContact O-N 2.76Å
373M98.6Very high98.6Very high88 Ų8830.3 Ų30.343%0.43315%0.148SC..THydrogen-bonded Turntrans59.131.9178.1-52.6-58.1-62.200113.5G341 F342 K343 M369 K370 H371G341-M373 WeakPolarHBondContact O-CE 3.37Å; F342-M373 HydrophobicContact CD1-CE 4.46Å; F342-M373 HydrophobicContact CE1-CE 4.27Å; F342-M373 HydrophobicContact CE1-SD 4.33Å; F342-M373 HydrophobicContact CZ-CE 4.33Å; K343-M373 WeakPolarHBondContact CB-O 3.5Å; K343-M373 WeakPolarHBondContact CE-O 3.44Å; K343-M373 PolarHBondContact N-O 3Å; M369-M373 PolarHBondContact O-N 3.33Å; K370-M373 PolarHBondContact O-N 3.04Å; H371-M373 VanDerWaalsContact C-N 3.3Å
374W98.9Very high98.6Very high5 Ų529.2 Ų29.22%0.01915%0.147CC..BIsolated β-bridgetrans-99.3127.8172.8-75.3111.4000110.8L326 T335 K343 L345 M369 H372L326-W374 HydrophobicContact CB-CD2 3.96Å; L326-W374 HydrophobicContact CB-CE3 4.44Å; L326-W374 HydrophobicContact CB-CG 4.33Å; L326-W374 HydrophobicContact CB-CH2 4.46Å; L326-W374 HydrophobicContact CB-CZ2 3.99Å; L326-W374 HydrophobicContact CD1-CB 4.14Å; L326-W374 HydrophobicContact CD1-CD2 4.25Å; L326-W374 HydrophobicContact CD1-CG 3.96Å; L326-W374 HydrophobicContact CD2-CE3 4.43Å; L326-W374 WeakPolarHBondContact O-CH2 3.32Å; L326-W374 WeakPolarHBondContact O-CZ2 3.32Å; T335-W374 HydrophobicContact CG2-CH2 3.95Å; T335-W374 HydrophobicContact CG2-CZ3 4.07Å; K343-W374 HydrophobicContact CB-CD2 4.06Å; K343-W374 HydrophobicContact CB-CE3 3.48Å; K343-W374 VanDerWaalsContact CB-CE3 3.48Å; K343-W374 HydrophobicContact CB-CH2 4.15Å; K343-W374 HydrophobicContact CB-CZ3 3.54Å; K343-W374 HydrophobicContact CD-CD2 4.44Å; K343-W374 HydrophobicContact CD-CH2 4.24Å; K343-W374 HydrophobicContact CD-CZ2 4.12Å; K343-W374 HydrophobicContact CD-CZ3 4.45Å; L345-W374 HydrophobicContact CD2-CZ3 4.42Å; L345-W374 HydrophobicContact CG-CZ3 4.42Å; M369-W374 CarbonylContact C-O 3.54Å; M369-W374 HydrophobicContact CB-CB 4.19Å; M369-W374 HydrophobicContact CE-CB 4.21Å; M369-W374 PolarHBondContact O-N 3.04Å; H372-W374 VanDerWaalsContact C-N 3.25Å; H372-W374 PolarHBondContact O-N 2.76Å
375S98.8Very high98.5Very high0 Ų027.1 Ų27.10%015%0.147CC..  trans-69.9145176.3178.60000111.3K343 M369 E377 N378K343-S375 PolarHBondContact O-N 2.94Å; M369-S375 WeakPolarHBondContact CE-O 3.34Å; S375-E377 WeakPolarHBondContact CB-OE2 3.49Å; S375-E377 PolarHBondContact O-N 2.9Å; S375-E377 WeakPolarHBondContact OG-CB 3.42Å; S375-E377 VanDerWaalsContact OG-CG 3.25Å; S375-E377 WeakPolarHBondContact OG-CG 3.45Å; S375-E377 PolarHBondContact OG-N 3.36Å; S375-E377 VanDerWaalsContact OG-N 3.11Å; S375-E377 PolarHBondContact OG-OE2 3Å; S375-N378 PolarHBondContact N-ND2 2.81Å; S375-N378 WeakPolarHBondContact O-CB 3.5Å; S375-N378 PolarHBondContact O-N 2.98Å; S375-N378 PolarHBondContact O-ND2 2.93Å
376I98.8Very high98.4Very high0 Ų028.2 Ų28.20%016%0.156CC..G310 helixtrans-68.1-14.1172.1-55.3-46.6000111.4L173 L177 T180 K190 V366 M369 N378 I379L173-I376 HydrophobicContact CD2-CG2 4.46Å; L177-I376 HydrophobicContact CB-CB 4.48Å; L177-I376 HydrophobicContact CB-CG2 4.45Å; L177-I376 HydrophobicContact CD1-CB 4.05Å; L177-I376 HydrophobicContact CD1-CG2 4.28Å; T180-I376 HydrophobicContact CG2-CG1 4.39Å; T180-I376 PolarHBondContact OG1-N 3.45Å; T180-I376 VanDerWaalsContact OG1-N 3.09Å; K190-I376 HydrophobicContact CD-CG2 4.09Å; K190-I376 PolarHBondContact NZ-O 3.25Å; V366-I376 HydrophobicContact CB-CD1 3.77Å; V366-I376 HydrophobicContact CB-CG1 4.45Å; V366-I376 HydrophobicContact CG1-CD1 3.9Å; M369-I376 HydrophobicContact CB-CD1 3.99Å; M369-I376 HydrophobicContact CE-CD1 3.92Å; M369-I376 HydrophobicContact SD-CD1 4.02Å; I376-N378 PolarHBondContact O-N 2.79Å; I376-N378 VanDerWaalsContact O-N 3.09Å; I376-I379 HydrophobicContact CG2-CG2 4.26Å; I376-I379 PolarHBondContact O-N 3.09Å
377E98.6Very high98.4Very high56 Ų5628.2 Ų28.226%0.26216%0.156SC..G310 helixtrans-52.3-30169.8-69.9166.993.200112.9L177 S181 N338 V344 R350 S375 I379L177-E377 HydrophobicContact CD1-CG 4.12Å; S181-E377 VanDerWaalsContact CB-CD 3.46Å; S181-E377 VanDerWaalsContact CB-OE2 3.32Å; S181-E377 WeakPolarHBondContact CB-OE2 3.47Å; N338-E377 PolarHBondContact ND2-OE2 2.68Å; V344-E377 WeakPolarHBondContact CG2-OE2 3.23Å; R350-E377 WeakPolarHBondContact CD-O 3.18Å; R350-E377 PolarHBondContact NE-O 2.98Å; S375-E377 WeakPolarHBondContact CB-OE2 3.49Å; S375-E377 PolarHBondContact O-N 2.9Å; S375-E377 WeakPolarHBondContact OG-CB 3.42Å; S375-E377 VanDerWaalsContact OG-CG 3.25Å; S375-E377 WeakPolarHBondContact OG-CG 3.45Å; S375-E377 PolarHBondContact OG-N 3.36Å; S375-E377 VanDerWaalsContact OG-N 3.11Å; S375-E377 PolarHBondContact OG-OE2 3Å; E377-I379 VanDerWaalsContact C-N 3.31Å; E377-I379 PolarHBondContact O-N 3Å
378N98.8Very high98.4Very high0 Ų025.4 Ų25.40%014%0.142CC..G310 helixtrans-73.5-19.7-175.7-64.3-60.4000114.4L326 K343 V344 L345 V351 S375 I376L326-N378 HydrophobicContact CD2-CB 3.96Å; K343-N378 PolarHBondContact O-ND2 3.46Å; V344-N378 WeakPolarHBondContact CA-OD1 3.46Å; L345-N378 WeakPolarHBondContact CB-OD1 3.45Å; L345-N378 HydrophobicContact CD1-CB 4.42Å; L345-N378 PolarHBondContact N-OD1 2.9Å; V351-N378 PolarHBondContact N-O 2.96Å; S375-N378 PolarHBondContact N-ND2 2.81Å; S375-N378 WeakPolarHBondContact O-CB 3.5Å; S375-N378 PolarHBondContact O-N 2.98Å; S375-N378 PolarHBondContact O-ND2 2.93Å; I376-N378 PolarHBondContact O-N 2.79Å; I376-N378 VanDerWaalsContact O-N 3.09Å
379I98.8Very high98.4Very high3 Ų328.7 Ų28.72%0.01516%0.156CC..EExtended strand (participates in β ladder)trans-128.3145.9-166.8-160.6158.2000113.2K190 V322 V351 Q353 M369 I376 E377 F381K190-I379 PolarHBondContact NZ-O 2.96Å; V322-I379 HydrophobicContact CB-CD1 4.44Å; V322-I379 HydrophobicContact CG1-CD1 3.58Å; V322-I379 HydrophobicContact CG2-CD1 3.9Å; V351-I379 HydrophobicContact CB-CG1 4.35Å; V351-I379 HydrophobicContact CG1-CD1 4.17Å; V351-I379 HydrophobicContact CG1-CG1 4.36Å; V351-I379 CarbonylContact O-C 3.54Å; V351-I379 VanDerWaalsContact O-CA 3.3Å; V351-I379 WeakPolarHBondContact O-CA 3.44Å; Q353-I379 HydrophobicContact CB-CD1 4.24Å; M369-I379 HydrophobicContact CE-CB 4.09Å; M369-I379 HydrophobicContact CE-CG2 3.64Å; M369-I379 HydrophobicContact SD-CB 4.31Å; M369-I379 HydrophobicContact SD-CD1 4.09Å; M369-I379 HydrophobicContact SD-CG2 3.69Å; I376-I379 HydrophobicContact CG2-CG2 4.26Å; I376-I379 PolarHBondContact O-N 3.09Å; E377-I379 VanDerWaalsContact C-N 3.31Å; E377-I379 PolarHBondContact O-N 3Å; I379-F381 HydrophobicContact CD1-CE1 4.2Å; I379-F381 HydrophobicContact CD1-CZ 4.17Å; I379-F381 HydrophobicContact CG1-CE2 4.47Å; I379-F381 HydrophobicContact CG1-CZ 4.26Å; I379-F381 HydrophobicContact CG2-CE2 3.73Å; I379-F381 HydrophobicContact CG2-CZ 3.84Å
380A98.8Very high98.4Very high23 Ų2335.8 Ų35.819%0.1919%0.186CC..EExtended strand (participates in β ladder)trans-119.4167.2158.100000109.4V351 I352 Q353V351-A380 PolarHBondContact O-N 2.84Å; I352-A380 VanDerWaalsContact CA-O 3.27Å; I352-A380 WeakPolarHBondContact CA-O 3.35Å; I352-A380 HydrophobicContact CD1-CB 4.47Å; I352-A380 HydrophobicContact CG1-CB 4.24Å; Q353-A380 PolarHBondContact N-O 3.42Å; Q353-A380 VanDerWaalsContact N-O 3.09Å
381F98.9Very high98.3Very high0 Ų033.8 Ų33.80%018%0.179CC..EExtended strand (participates in β ladder)trans-124139.3-179.9-63.3-87.9000110.2L173 K190 L191 H192 Q353 V357 L362 I365 V366 I379L173-F381 HydrophobicContact CD2-CD2 3.8Å; L173-F381 HydrophobicContact CD2-CE2 3.68Å; K190-F381 PolarHBondContact O-N 2.97Å; L191-F381 CarbonylContact C-O 3.56Å; L191-F381 WeakPolarHBondContact CA-O 3.27Å; L191-F381 HydrophobicContact CD1-CB 3.87Å; H192-F381 PolarHBondContact N-O 3.46Å; Q353-F381 HydrophobicContact CB-CD1 4.12Å; Q353-F381 HydrophobicContact CB-CE1 4.35Å; Q353-F381 CarbonylContact O-C 3.56Å; Q353-F381 WeakPolarHBondContact O-CA 3.45Å; V357-F381 HydrophobicContact CG1-CB 4.25Å; V357-F381 HydrophobicContact CG1-CD1 4.31Å; V357-F381 HydrophobicContact CG2-CD1 4.19Å; L362-F381 HydrophobicContact CD1-CB 4.31Å; L362-F381 HydrophobicContact CD1-CD1 3.74Å; L362-F381 HydrophobicContact CD1-CD2 3.46Å; L362-F381 VanDerWaalsContact CD1-CD2 3.46Å; L362-F381 HydrophobicContact CD1-CE1 3.83Å; L362-F381 HydrophobicContact CD1-CE2 3.56Å; L362-F381 HydrophobicContact CD1-CG 3.55Å; L362-F381 HydrophobicContact CD1-CZ 3.75Å; I365-F381 HydrophobicContact CB-CE1 4.08Å; I365-F381 HydrophobicContact CB-CZ 4.36Å; I365-F381 HydrophobicContact CD1-CD1 4.48Å; I365-F381 HydrophobicContact CD1-CE1 3.86Å; I365-F381 HydrophobicContact CG2-CE1 3.74Å; I365-F381 HydrophobicContact CG2-CZ 3.88Å; V366-F381 HydrophobicContact CG1-CE2 3.96Å; V366-F381 HydrophobicContact CG1-CZ 3.79Å; I379-F381 HydrophobicContact CD1-CE1 4.2Å; I379-F381 HydrophobicContact CD1-CZ 4.17Å; I379-F381 HydrophobicContact CG1-CE2 4.47Å; I379-F381 HydrophobicContact CG1-CZ 4.26Å; I379-F381 HydrophobicContact CG2-CE2 3.73Å; I379-F381 HydrophobicContact CG2-CZ 3.84Å
382G98.6Very high98.3Very high0 Ų031.8 Ų31.80%018%0.175CC..EExtended strand (participates in β ladder)trans-105.2134.4164.600000109.3H192 Q353 G354 V357H192-G382 WeakPolarHBondContact O-CA 3.4Å; Q353-G382 PolarHBondContact O-N 2.77Å; G354-G382 CarbonylContact C-O 3.58Å; G354-G382 WeakPolarHBondContact CA-O 3.32Å; V357-G382 WeakPolarHBondContact CB-O 3.34Å; V357-G382 WeakPolarHBondContact CG2-O 3.37Å
383S98.7Very high98.2Very high1 Ų131.3 Ų31.31%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-134.1128.7174.4-174.90000111.1H192 F194 V357 L387H192-S383 PolarHBondContact O-N 3.45Å; F194-S383 PolarHBondContact N-O 3.08Å; V357-S383 PolarHBondContact O-OG 3.11Å; S383-L387 WeakPolarHBondContact OG-CB 3.17Å; S383-L387 PolarHBondContact OG-N 3.37Å
384G97.8Very high98Very high18 Ų1831.1 Ų31.119%0.18617%0.171CC..SBendtrans-102.4-105.2-177.300000113.1A386 L387 L388G384-A386 PolarHBondContact O-N 3.47Å; G384-L387 WeakPolarHBondContact O-CB 3.32Å; G384-L387 PolarHBondContact O-N 3.37Å; G384-L388 PolarHBondContact O-N 2.97Å; G384-L388 VanDerWaalsContact O-N 3.17Å
385G95.9Very high97.8Very high34 Ų3432.6 Ų32.635%0.35118%0.179SC..Hα-helixtrans-58.2-31.9-17600000113.8Q389 K390G385-Q389 CarbonylContact O-C 3.54Å; G385-Q389 VanDerWaalsContact O-CA 3.32Å; G385-Q389 WeakPolarHBondContact O-CA 3.33Å; G385-Q389 WeakPolarHBondContact O-CB 3.27Å; G385-Q389 PolarHBondContact O-N 2.79Å; G385-K390 PolarHBondContact O-N 3.37Å
386A96.6Very high97.6Very high24 Ų2432.6 Ų32.620%0.19818%0.179CC..Hα-helixtrans-68.6-32.9176.400000113.8V357 D358 G384V357-A386 WeakPolarHBondContact O-CB 3.46Å; D358-A386 HydrophobicContact CB-CB 3.45Å; D358-A386 VanDerWaalsContact CB-CB 3.45Å; G384-A386 PolarHBondContact O-N 3.47Å
387L98.7Very high97.5Very high0 Ų034.1 Ų34.10%019%0.187CC..Hα-helixtrans-75.1-44.3178.1-177.462.2000111.7L191 D193 S383 G384 L391L191-L387 HydrophobicContact CD2-CD1 4.28Å; D193-L387 HydrophobicContact CB-CD2 3.82Å; S383-L387 WeakPolarHBondContact OG-CB 3.17Å; S383-L387 PolarHBondContact OG-N 3.37Å; G384-L387 WeakPolarHBondContact O-CB 3.32Å; G384-L387 PolarHBondContact O-N 3.37Å; L387-L391 WeakPolarHBondContact O-CD1 3.37Å
388L98.8Very high97.5Very high0 Ų031.4 Ų31.40%017%0.174CC..Hα-helixtrans-112.2-16.1-168.7-60.8-166.1000116Y158 V162 D193 V199 G384Y158-L388 WeakPolarHBondContact CE2-O 2.98Å; Y158-L388 PolarHBondContact OH-O 3.17Å; V162-L388 HydrophobicContact CG1-CD2 3.66Å; D193-L388 VanDerWaalsContact OD1-CD1 3.26Å; D193-L388 WeakPolarHBondContact OD1-CD1 3.49Å; V199-L388 HydrophobicContact CG1-CB 3.44Å; V199-L388 VanDerWaalsContact CG1-CB 3.44Å; V199-L388 HydrophobicContact CG1-CD1 4.06Å; V199-L388 HydrophobicContact CG1-CG 4.43Å; G384-L388 PolarHBondContact O-N 2.97Å; G384-L388 VanDerWaalsContact O-N 3.17Å
389Q98.4Very high97.4Very high77 Ų7732.1 Ų32.136%0.3618%0.179SC..THydrogen-bonded Turntrans-125.8-37-171-176.161.842.900114.5G198 V199 G385 L391G198-Q389 VanDerWaalsContact O-CB 3.32Å; G198-Q389 WeakPolarHBondContact O-CB 3.32Å; G198-Q389 VanDerWaalsContact O-CG 3.31Å; G198-Q389 WeakPolarHBondContact O-CG 3.48Å; V199-Q389 VanDerWaalsContact CA-OE1 3.3Å; G385-Q389 CarbonylContact O-C 3.54Å; G385-Q389 VanDerWaalsContact O-CA 3.32Å; G385-Q389 WeakPolarHBondContact O-CA 3.33Å; G385-Q389 WeakPolarHBondContact O-CB 3.27Å; G385-Q389 PolarHBondContact O-N 2.79Å; Q389-L391 PolarHBondContact O-N 2.9Å
390K97.4Very high97.4Very high149 Ų14932 Ų3265%0.64818%0.179SC*.SBendtrans-77.547.5-177.9-164.1-174.4169.4-1730111.6D358 G385D358-K390 IonicContact OD2-NZ 3.5Å; D358-K390 PolarHBondContact OD2-NZ 2.67Å; G385-K390 PolarHBondContact O-N 3.37Å
391L96.9Very high97.4Very high18 Ų1833.2 Ų33.29%0.09418%0.179CC..  trans-133.9145.6-176.3-60.1172.1000109.1W157 T161 V162 N165 L387 Q389 L395W157-L391 HydrophobicContact CZ3-CB 4.48Å; T161-L391 HydrophobicContact CG2-CB 4.05Å; T161-L391 HydrophobicContact CG2-CD1 4.2Å; T161-L391 HydrophobicContact CG2-CD2 4.07Å; T161-L391 HydrophobicContact CG2-CG 4.34Å; V162-L391 HydrophobicContact CB-CD1 4.36Å; V162-L391 HydrophobicContact CG2-CD1 3.59Å; N165-L391 HydrophobicContact CB-CD2 4.28Å; L387-L391 WeakPolarHBondContact O-CD1 3.37Å; Q389-L391 PolarHBondContact O-N 2.9Å; L391-L395 HydrophobicContact CD2-CD2 3.75Å
392T98Very high97.4Very high83 Ų8334.6 Ų34.651%0.50919%0.189SC..  trans-134.6156.3177.566.60000110.6D394 L395T392-D394 PolarHBondContact O-N 3.43Å; T392-D394 VanDerWaalsContact O-N 3.08Å; T392-L395 VanDerWaalsContact O-CB 3.29Å; T392-L395 WeakPolarHBondContact O-CB 3.41Å; T392-L395 PolarHBondContact O-N 3.3Å
393R97.6Very high97.4Very high78 Ų7834.6 Ų34.629%0.29419%0.189SC..G310 helixtrans-51.4-34.4176.3-171.3-170.761.159.414112.6W157 L395 N397 C398W157-R393 HydrophobicContact CB-CB 4.32Å; W157-R393 HydrophobicContact CB-CG 3.79Å; W157-R393 HydrophobicContact CD2-CB 3.66Å; W157-R393 HydrophobicContact CD2-CG 4.12Å; W157-R393 VanDerWaalsContact CE3-CA 3.41Å; W157-R393 HydrophobicContact CE3-CB 4.07Å; W157-R393 VanDerWaalsContact CE3-N 3.28Å; W157-R393 HydrophobicContact CG-CB 3.76Å; W157-R393 HydrophobicContact CG-CG 3.65Å; W157-R393 VanDerWaalsContact CZ3-N 3.29Å; R393-L395 VanDerWaalsContact C-N 3.33Å; R393-N397 PolarHBondContact O-N 2.99Å; R393-C398 WeakPolarHBondContact CD-O 3.25Å; R393-C398 HydrophobicContact CG-CB 3.83Å; R393-C398 WeakPolarHBondContact CG-O 3.5Å; R393-C398 PolarHBondContact NH1-O 3.47Å; R393-C398 PolarHBondContact O-N 3.4Å; R393-C398 VanDerWaalsContact O-N 3.17Å
394D94.2Very high97.4Very high85 Ų8536.7 Ų36.746%0.45520%0.197SC..G310 helixtrans-81-8-176.4-68.5-56.2000114.4T392 L396 N397T392-D394 PolarHBondContact O-N 3.43Å; T392-D394 VanDerWaalsContact O-N 3.08Å; D394-L396 VanDerWaalsContact C-N 3.26Å; D394-L396 PolarHBondContact O-N 2.97Å; D394-N397 PolarHBondContact O-N 3.41Å; D394-N397 PolarHBondContact O-ND2 3.49Å
395L94Very high97.5Very high35 Ų3536.6 Ų36.618%0.18319%0.193CC..G310 helixtrans-57.3-43.7172-178.858.5000111.2Y54 T161 L391 T392 R393Y54-L395 HydrophobicContact CD2-CD1 4.15Å; Y54-L395 HydrophobicContact CD2-CG 4.39Å; Y54-L395 HydrophobicContact CE2-CD1 3.83Å; Y54-L395 HydrophobicContact CE2-CD2 4.19Å; Y54-L395 HydrophobicContact CE2-CG 4.17Å; T161-L395 HydrophobicContact CG2-CB 4.35Å; T161-L395 HydrophobicContact CG2-CD2 3.75Å; T161-L395 HydrophobicContact CG2-CG 4.45Å; L391-L395 HydrophobicContact CD2-CD2 3.75Å; T392-L395 VanDerWaalsContact O-CB 3.29Å; T392-L395 WeakPolarHBondContact O-CB 3.41Å; T392-L395 PolarHBondContact O-N 3.3Å; R393-L395 VanDerWaalsContact C-N 3.33Å
396L95.9Very high97.6Very high0 Ų036 Ų360%018%0.182CC..THydrogen-bonded Turntrans-107.2-0.1177.6-57-179.6000113.1C39 Y54 T57 R128 I160 T161 T164 D394 C398C39-L396 CarbonylContact C-O 3.5Å; C39-L396 HydrophobicContact CB-CB 4.32Å; Y54-L396 HydrophobicContact CD1-CD2 4.12Å; Y54-L396 HydrophobicContact CD2-CD2 4.4Å; Y54-L396 HydrophobicContact CG-CD2 3.77Å; T57-L396 HydrophobicContact CG2-CD1 3.87Å; T57-L396 HydrophobicContact CG2-CD2 4.23Å; T57-L396 HydrophobicContact CG2-CG 4.46Å; R128-L396 PolarHBondContact NE-O 2.85Å; R128-L396 PolarHBondContact NH2-O 2.97Å; I160-L396 HydrophobicContact CG2-CD1 3.99Å; T161-L396 HydrophobicContact CG2-CD1 4.21Å; T161-L396 HydrophobicContact CG2-CG 4.36Å; T164-L396 HydrophobicContact CG2-CD1 4.36Å; T164-L396 HydrophobicContact CG2-CD2 4.5Å; D394-L396 VanDerWaalsContact C-N 3.26Å; D394-L396 PolarHBondContact O-N 2.97Å; L396-C398 VanDerWaalsContact C-N 3.26Å; L396-C398 PolarHBondContact O-N 3.47Å
397N96.4Very high97.7Very high32 Ų3235.7 Ų35.717%0.17118%0.178CC..THydrogen-bonded Turntrans52.841.7-174.2-57.2110.2000113.2R40 R128 R393 D394 S399R40-N397 HydrophobicContact CB-CB 4.02Å; R40-N397 PolarHBondContact N-O 3.1Å; R128-N397 PolarHBondContact NH2-OD1 3.44Å; R393-N397 PolarHBondContact O-N 2.99Å; D394-N397 PolarHBondContact O-N 3.41Å; D394-N397 PolarHBondContact O-ND2 3.49Å; N397-S399 PolarHBondContact O-N 3.32Å
398C98.2Very high97.6Very high0 Ų041 Ų410%021%0.206CC..EExtended strand (participates in β ladder)trans-55.7121.7175.5-64.10000110.7F37 E38 C39 W157 R393 L396F37-C398 HydrophobicContact CE1-CB 4.46Å; F37-C398 HydrophobicContact CE2-CB 4.13Å; F37-C398 HydrophobicContact CZ-CB 3.62Å; E38-C398 CarbonylContact O-C 3.48Å; E38-C398 WeakPolarHBondContact O-CA 3.36Å; C39-C398 PolarHBondContact SG-SG 2.77Å; W157-C398 HydrophobicContact CB-CB 3.47Å; W157-C398 VanDerWaalsContact CB-CB 3.47Å; R393-C398 WeakPolarHBondContact CD-O 3.25Å; R393-C398 HydrophobicContact CG-CB 3.83Å; R393-C398 WeakPolarHBondContact CG-O 3.5Å; R393-C398 PolarHBondContact NH1-O 3.47Å; R393-C398 PolarHBondContact O-N 3.4Å; R393-C398 VanDerWaalsContact O-N 3.17Å; L396-C398 VanDerWaalsContact C-N 3.26Å; L396-C398 PolarHBondContact O-N 3.47Å
399S97.8Very high97.5Very high15 Ų1544 Ų4411%0.10524%0.238CC..EExtended strand (participates in β ladder)trans-148.9142.9-170.7-145.50000112.7F37 E38 N397 K401F37-S399 VanDerWaalsContact CA-O 3.29Å; F37-S399 WeakPolarHBondContact CA-O 3.42Å; E38-S399 PolarHBondContact N-O 2.87Å; E38-S399 PolarHBondContact O-N 3.2Å; N397-S399 PolarHBondContact O-N 3.32Å; S399-K401 PolarHBondContact OG-NZ 3.42Å
400F98.8Very high97.5Very high1 Ų146.1 Ų46.10%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-112.2135.4174-173.3-86.6000110.7Y36 F37 F133 V135 E150 V154Y36-F400 CarbonylContact O-C 3.53Å; Y36-F400 WeakPolarHBondContact O-CA 3.45Å; F37-F400 HydrophobicContact CB-CD2 4.22Å; F37-F400 HydrophobicContact CD2-CB 4.35Å; F133-F400 HydrophobicContact CE2-CD2 4.04Å; F133-F400 AromaticContact CE2-CE2 3.95Å; F133-F400 HydrophobicContact CE2-CE2 3.95Å; F133-F400 HydrophobicContact CZ-CD2 4.37Å; V135-F400 HydrophobicContact CB-CE2 4.26Å; V135-F400 HydrophobicContact CB-CZ 4.1Å; V135-F400 HydrophobicContact CG2-CE2 3.68Å; V135-F400 HydrophobicContact CG2-CZ 4.01Å; E150-F400 HydrophobicContact CB-CD1 3.78Å; E150-F400 HydrophobicContact CB-CE1 3.87Å; E150-F400 HydrophobicContact CB-CG 4.33Å; E150-F400 VanDerWaalsContact CD-CD1 3.42Å; E150-F400 HydrophobicContact CG-CB 3.84Å; E150-F400 HydrophobicContact CG-CD1 3.44Å; E150-F400 VanDerWaalsContact CG-CD1 3.44Å; E150-F400 HydrophobicContact CG-CE1 4.08Å; E150-F400 HydrophobicContact CG-CG 3.77Å; V154-F400 HydrophobicContact CG2-CB 3.4Å; V154-F400 VanDerWaalsContact CG2-CB 3.4Å; V154-F400 HydrophobicContact CG2-CG 4.27Å
401K98.6Very high97.6Very high47 Ų4741.1 Ų41.120%0.20424%0.241CC..EExtended strand (participates in β ladder)trans-147.7147.4179.5-63.9-65.6164.9-83.20112.3S35 Y36 S399 K416S35-K401 CarbonylContact C-O 3.45Å; S35-K401 WeakPolarHBondContact CA-O 3.49Å; S35-K401 VanDerWaalsContact CB-O 3.31Å; S35-K401 WeakPolarHBondContact CB-O 3.37Å; Y36-K401 HydrophobicContact CD1-CB 4.39Å; Y36-K401 WeakPolarHBondContact CD1-O 3.39Å; Y36-K401 HydrophobicContact CE1-CB 3.81Å; Y36-K401 PolarHBondContact N-O 2.92Å; Y36-K401 PolarHBondContact O-N 3.01Å; S399-K401 PolarHBondContact OG-NZ 3.42Å; K401-K416 HydrophobicContact CD-CD 4.15Å
402C98.8Very high97.6Very high30 Ų3043.5 Ų43.520%0.20326%0.257CS..EExtended strand (participates in β ladder)trans-68.5135.1163.1-176.70000109.7V33 Y34 S35 V414V33-C402 HydrophobicContact CG1-CB 4.5Å; Y34-C402 PolarHBondContact O-SG 3.3Å; S35-C402 WeakPolarHBondContact OG-CA 3.5Å; S35-C402 PolarHBondContact OG-N 3.37Å; C402-V414 HydrophobicContact CB-CG2 4.44Å; C402-V414 VanDerWaalsContact SG-CG2 3.54Å
403S98.8Very high97.6Very high0 Ų042.7 Ų42.70%025%0.249CC..EExtended strand (participates in β ladder)trans-128.4-18.8178.650.10000112.7Y34 Y36 V414 G429Y34-S403 WeakPolarHBondContact CD1-OG 3.37Å; Y34-S403 WeakPolarHBondContact CE1-OG 3.36Å; Y34-S403 PolarHBondContact O-N 3.43Å; Y36-S403 WeakPolarHBondContact CD1-OG 3.36Å; S403-V414 VanDerWaalsContact C-CG2 3.44Å; S403-V414 CarbonylContact C-O 3.59Å; S403-V414 WeakPolarHBondContact CA-O 3.16Å; S403-V414 PolarHBondContact O-N 3.16Å; S403-V414 VanDerWaalsContact O-O 3.06Å; S403-G429 WeakPolarHBondContact CB-O 3.44Å; S403-G429 VanDerWaalsContact O-CA 3.23Å; S403-G429 WeakPolarHBondContact O-CA 3.49Å; S403-G429 PolarHBondContact O-N 3.33Å; S403-G429 PolarHBondContact OG-O 3.04Å; S403-G429 VanDerWaalsContact OG-O 3.1Å
404Y98.9Very high97.7Very high45 Ų4541 Ų4118%0.17625%0.247CC..EExtended strand (participates in β ladder)trans-146.7141.1178.8177.4-99.6000111.4K32 Y34 V406 G411 V412 R430K32-Y404 HydrophobicContact CD-CE1 4.42Å; Y34-Y404 WeakPolarHBondContact CB-O 3.49Å; Y34-Y404 PolarHBondContact N-O 2.88Å; Y34-Y404 PolarHBondContact O-N 2.93Å; Y404-V406 HydrophobicContact CE1-CG2 3.6Å; Y404-G411 WeakPolarHBondContact OH-CA 3.44Å; Y404-V412 WeakPolarHBondContact CA-O 3.43Å; Y404-V412 WeakPolarHBondContact CD2-O 3.35Å; Y404-R430 HydrophobicContact CD1-CG 4.08Å; Y404-R430 HydrophobicContact CD2-CG 4.32Å; Y404-R430 HydrophobicContact CE1-CG 4.32Å; Y404-R430 HydrophobicContact CG-CG 4.07Å
405V98.6Very high97.8Very high15 Ų1541.4 Ų41.49%0.09125%0.245CC..EExtended strand (participates in β ladder)trans-134.1155.7172.7-61.10000110.2K32 V33 G411 V412 V414K32-V405 CarbonylContact O-C 3.52Å; K32-V405 VanDerWaalsContact O-CA 3.24Å; K32-V405 WeakPolarHBondContact O-CA 3.24Å; V33-V405 HydrophobicContact CG2-CG1 4.35Å; V405-G411 WeakPolarHBondContact O-CA 3.27Å; V405-V412 HydrophobicContact CG2-CB 4.06Å; V405-V412 PolarHBondContact N-O 3.02Å; V405-V412 VanDerWaalsContact N-O 3.09Å; V405-V412 PolarHBondContact O-N 3.27Å; V405-V414 HydrophobicContact CG1-CG2 4.35Å; V405-V414 HydrophobicContact CG2-CG1 3.95Å
406V98.7Very high97.9Very high21 Ų2144 Ų4413%0.12726%0.255CS..EExtended strand (participates in β ladder)trans-114116.1166-178.10000108.2T30 S31 K32 Y404 L410T30-V406 CarbonylContact C-O 3.58Å; T30-V406 WeakPolarHBondContact CA-O 3.37Å; S31-V406 PolarHBondContact N-O 3.48Å; S31-V406 WeakPolarHBondContact OG-CG1 3.49Å; S31-V406 PolarHBondContact OG-O 2.76Å; K32-V406 HydrophobicContact CB-CB 3.89Å; K32-V406 HydrophobicContact CB-CG2 3.85Å; K32-V406 HydrophobicContact CD-CG2 4.31Å; K32-V406 PolarHBondContact N-O 2.81Å; K32-V406 PolarHBondContact O-N 2.95Å; Y404-V406 HydrophobicContact CE1-CG2 3.6Å; V406-L410 WeakPolarHBondContact CA-O 3.48Å
407T97.8Very high97.8Very high19 Ų1948 Ų4812%0.11728%0.277CS..EExtended strand (participates in β ladder)trans-130.1132.3-179.7-55.50000109P27 P28 N29 T30 G409 L410P27-T407 HydrophobicContact CB-CG2 3.88Å; P28-T407 VanDerWaalsContact O-CG2 3.31Å; P28-T407 WeakPolarHBondContact O-CG2 3.47Å; N29-T407 WeakPolarHBondContact O-CA 3.31Å; T30-T407 PolarHBondContact OG1-OG1 3.37Å; T30-T407 VanDerWaalsContact OG1-OG1 3.09Å; T407-G409 PolarHBondContact O-N 3.07Å; T407-L410 PolarHBondContact N-O 3.49Å; T407-L410 PolarHBondContact O-N 3.04Å
408N97.5Very high97.6Very high110 Ų11048.5 Ų48.559%0.58828%0.281SS*.THydrogen-bonded Turntrans53.635.1-172.8-56.7-56.7000113.1N29 L410N29-N408 VanDerWaalsContact CB-OD1 3.26Å; N29-N408 WeakPolarHBondContact CB-OD1 3.33Å; N29-N408 PolarHBondContact ND2-OD1 3.29Å; N29-N408 PolarHBondContact O-N 3.16Å; N408-L410 PolarHBondContact O-N 3Å
409G97.4Very high97.2Very high64 Ų6455.5 Ų55.566%0.6632%0.324SS*.THydrogen-bonded Turntrans73.50.9-177.300000115.3T407T407-G409 PolarHBondContact O-N 3.07Å
410L98Very high96.7Very high122 Ų12259.4 Ų59.464%0.63936%0.357SS*.EExtended strand (participates in β ladder)trans-105.5130.1-179.7-63.1175000111.1V406 T407 N408V406-L410 WeakPolarHBondContact CA-O 3.48Å; T407-L410 PolarHBondContact N-O 3.49Å; T407-L410 PolarHBondContact O-N 3.04Å; N408-L410 PolarHBondContact O-N 3Å
411G98.2Very high96.1Very high43 Ų4361.5 Ų61.544%0.44337%0.368SS..EExtended strand (participates in β ladder)trans-72.7129.9171.500000111.7Y404 V405Y404-G411 WeakPolarHBondContact OH-CA 3.44Å; V405-G411 WeakPolarHBondContact O-CA 3.27Å
412V97.9Very high95.6Very high69 Ų6962.9 Ų62.942%0.41838%0.382SS..EExtended strand (participates in β ladder)trans-127.9126.1179.7-175.30000109.9Y404 V405 V414Y404-V412 WeakPolarHBondContact CA-O 3.43Å; Y404-V412 WeakPolarHBondContact CD2-O 3.35Å; V405-V412 HydrophobicContact CG2-CB 4.06Å; V405-V412 PolarHBondContact N-O 3.02Å; V405-V412 VanDerWaalsContact N-O 3.09Å; V405-V412 PolarHBondContact O-N 3.27Å; V412-V414 HydrophobicContact CG1-CG1 4.17Å; V412-V414 PolarHBondContact O-N 3.29Å
413N98.4Very high95.1Very high66 Ų6664 Ų6435%0.35339%0.386SS..EExtended strand (participates in β ladder)trans-74.1119.2170.3-64.2-16.4000108.9K428 G429 E446N413-K428 HydrophobicContact CB-CB 4.36Å; N413-G429 WeakPolarHBondContact OD1-CA 3.44Å; N413-E446 WeakPolarHBondContact ND2-CG 3.18Å
414V98.2Very high94.7Very high42 Ų4269.2 Ų69.226%0.25541%0.408SS..  trans-115.9150.2179.3-62.70000110.5C402 S403 V405 V412C402-V414 HydrophobicContact CB-CG2 4.44Å; C402-V414 VanDerWaalsContact SG-CG2 3.54Å; S403-V414 VanDerWaalsContact C-CG2 3.44Å; S403-V414 CarbonylContact C-O 3.59Å; S403-V414 WeakPolarHBondContact CA-O 3.16Å; S403-V414 PolarHBondContact O-N 3.16Å; S403-V414 VanDerWaalsContact O-O 3.06Å; V405-V414 HydrophobicContact CG1-CG2 4.35Å; V405-V414 HydrophobicContact CG2-CG1 3.95Å; V412-V414 HydrophobicContact CG1-CG1 4.17Å; V412-V414 PolarHBondContact O-N 3.29Å
415F97.8Very high94.4Very high93 Ų9374.3 Ų74.341%0.40843%0.427SS..  trans-162.1163.8177.963.4-73.5000110.4D417 S426 K428F415-D417 HydrophobicContact CD2-CB 4.07Å; F415-D417 HydrophobicContact CE2-CB 3.89Å; F415-S426 WeakPolarHBondContact CA-OG 3.41Å; F415-S426 WeakPolarHBondContact CB-OG 3.47Å; F415-K428 HydrophobicContact CB-CG 3.8Å; F415-K428 HydrophobicContact CD1-CD 3.79Å; F415-K428 VanDerWaalsContact CD1-CE 3.48Å; F415-K428 HydrophobicContact CD1-CG 3.64Å; F415-K428 HydrophobicContact CE1-CD 4.03Å; F415-K428 VanDerWaalsContact CE1-CE 3.43Å; F415-K428 HydrophobicContact CE1-CG 4.38Å; F415-K428 HydrophobicContact CG-CD 4.16Å; F415-K428 HydrophobicContact CG-CG 3.73Å
416K94.4Very high94.4Very high91 Ų9174 Ų7440%0.39643%0.426SS..  trans-108.2144.4164.963174.7-69.4168.30110K401 P418 R425 S426K401-K416 HydrophobicContact CD-CD 4.15Å; K416-P418 VanDerWaalsContact CE-CG 3.49Å; K416-R425 CarbonylContact O-C 3.5Å; K416-R425 VanDerWaalsContact O-CA 3.28Å; K416-R425 WeakPolarHBondContact O-CA 3.38Å; K416-S426 PolarHBondContact N-OG 3.05Å; K416-S426 PolarHBondContact O-N 2.81Å
417D95.1Very high94.4Very high84 Ų8474.4 Ų74.445%0.44943%0.426SS..  trans-143.880.7174.4-164.48.2000110.4F415 V419 R425F415-D417 HydrophobicContact CD2-CB 4.07Å; F415-D417 HydrophobicContact CE2-CB 3.89Å; D417-V419 PolarHBondContact O-N 2.9Å; D417-R425 HydrophobicContact CB-CG 4.13Å; D417-R425 WeakPolarHBondContact OD2-CD 3.36Å
418P91.5Very high94.4Very high41 Ų4176.4 Ų76.427%0.26643%0.433SS..  trans-68.6123.5-176.2-19.534.1000111.7K416 A420 D421 K424K416-P418 VanDerWaalsContact CE-CG 3.49Å; P418-A420 PolarHBondContact O-N 3.07Å; P418-A420 VanDerWaalsContact O-N 3.14Å; P418-D421 CarbonylContact O-C 3.57Å; P418-D421 PolarHBondContact O-N 2.87Å; P418-K424 HydrophobicContact CG-CB 3.86Å
419V90.1Very high94.4Very high148 Ų14871.1 Ų71.190%0.89741%0.405SS*.THydrogen-bonded Turntrans-55.1-35.4-177.569.30000113.9D417D417-V419 PolarHBondContact O-N 2.9Å
420A88.3Confident94.5Very high97 Ų9772.4 Ų72.480%0.80239%0.389SS*.THydrogen-bonded Turntrans-84.8-8.6-177.100000114.1P418P418-A420 PolarHBondContact O-N 3.07Å; P418-A420 VanDerWaalsContact O-N 3.14Å
421D85.2Confident94.5Very high45 Ų4567 Ų6724%0.24136%0.362CS..  trans-152.586179.8-172.60.4000111.4P418 N423 K424P418-D421 CarbonylContact O-C 3.57Å; P418-D421 PolarHBondContact O-N 2.87Å; D421-N423 PolarHBondContact O-N 2.54Å; D421-N423 VanDerWaalsContact O-N 3.12Å; D421-N423 WeakPolarHBondContact OD1-CB 3.47Å; D421-N423 PolarHBondContact OD1-N 2.84Å; D421-N423 PolarHBondContact OD1-ND2 2.84Å; D421-N423 VanDerWaalsContact OD1-ND2 3.15Å; D421-K424 HydrophobicContact CB-CB 4.49Å; D421-K424 HydrophobicContact CB-CD 4.18Å; D421-K424 HydrophobicContact CB-CG 4.38Å; D421-K424 WeakPolarHBondContact O-CB 3.37Å; D421-K424 PolarHBondContact O-N 2.95Å; D421-K424 WeakPolarHBondContact OD2-CD 3.43Å; D421-K424 WeakPolarHBondContact OD2-CE 3.32Å; D421-K424 WeakPolarHBondContact OD2-CG 3.28Å; D421-K424 IonicContact OD2-NZ 3.93Å; D421-K424 PolarHBondContact OD2-NZ 2.74Å
422P89.2Confident94.6Very high75 Ų7565.4 Ų65.449%0.48734%0.343SS..G310 helixtrans-59.5-21.5178.4-26.135.5000114.2K424 R425P422-K424 PolarHBondContact O-N 2.81Å; P422-R425 WeakPolarHBondContact O-CB 3.27Å; P422-R425 PolarHBondContact O-N 3.32Å; P422-R425 VanDerWaalsContact O-N 3.12Å
423N86.7Confident94.6Very high53 Ų5362.1 Ų62.128%0.28332%0.324SS..G310 helixtrans-67.5-15174.3-53.5-71.9000111.9R43 D421R43-N423 WeakPolarHBondContact CB-OD1 3.37Å; R43-N423 WeakPolarHBondContact CG-OD1 3.23Å; R43-N423 PolarHBondContact N-OD1 3.5Å; R43-N423 VanDerWaalsContact N-OD1 3.07Å; D421-N423 PolarHBondContact O-N 2.54Å; D421-N423 VanDerWaalsContact O-N 3.12Å; D421-N423 WeakPolarHBondContact OD1-CB 3.47Å; D421-N423 PolarHBondContact OD1-N 2.84Å; D421-N423 PolarHBondContact OD1-ND2 2.84Å; D421-N423 VanDerWaalsContact OD1-ND2 3.15Å
424K89.9Confident94.6Very high110 Ų11059.1 Ų59.148%0.47831%0.307SS..G310 helixtrans-90.62.7175.5-72.8178.2-177.4163.30113.7R40 P418 D421 P422 S426R40-K424 PolarHBondContact NH1-O 3.29Å; P418-K424 HydrophobicContact CG-CB 3.86Å; D421-K424 HydrophobicContact CB-CB 4.49Å; D421-K424 HydrophobicContact CB-CD 4.18Å; D421-K424 HydrophobicContact CB-CG 4.38Å; D421-K424 WeakPolarHBondContact O-CB 3.37Å; D421-K424 PolarHBondContact O-N 2.95Å; D421-K424 WeakPolarHBondContact OD2-CD 3.43Å; D421-K424 WeakPolarHBondContact OD2-CE 3.32Å; D421-K424 WeakPolarHBondContact OD2-CG 3.28Å; D421-K424 IonicContact OD2-NZ 3.93Å; D421-K424 PolarHBondContact OD2-NZ 2.74Å; P422-K424 PolarHBondContact O-N 2.81Å; K424-S426 PolarHBondContact O-N 3.15Å
425R94.5Very high94.5Very high153 Ų15362 Ų6258%0.57731%0.314SS*.PPolyproline II helixtrans-57.4134.5170.1-167.1169.971.1177.53.4110.5R40 K416 D417 P422R40-R425 PolarHBondContact NH1-O 2.74Å; K416-R425 CarbonylContact O-C 3.5Å; K416-R425 VanDerWaalsContact O-CA 3.28Å; K416-R425 WeakPolarHBondContact O-CA 3.38Å; D417-R425 HydrophobicContact CB-CG 4.13Å; D417-R425 WeakPolarHBondContact OD2-CD 3.36Å; P422-R425 WeakPolarHBondContact O-CB 3.27Å; P422-R425 PolarHBondContact O-N 3.32Å; P422-R425 VanDerWaalsContact O-N 3.12Å
426S97.1Very high94.4Very high8 Ų859 Ų596%0.05630%0.303CS..PPolyproline II helixtrans-103.9160.917566.20000111.6F415 K416 K424F415-S426 WeakPolarHBondContact CA-OG 3.41Å; F415-S426 WeakPolarHBondContact CB-OG 3.47Å; K416-S426 PolarHBondContact N-OG 3.05Å; K416-S426 PolarHBondContact O-N 2.81Å; K424-S426 PolarHBondContact O-N 3.15Å
427K98.4Very high94.3Very high29 Ų2961 Ų6113%0.12633%0.325CS..PPolyproline II helixtrans-68.1161.6173.9-58.4-172.7174.7-69.50111.8Y36 G129 L431 T443 E445Y36-K427 HydrophobicContact CE1-CB 4.04Å; Y36-K427 HydrophobicContact CE2-CB 4.25Å; Y36-K427 HydrophobicContact CE2-CD 3.89Å; Y36-K427 HydrophobicContact CE2-CG 4.05Å; Y36-K427 PolarHBondContact OH-N 3.17Å; G129-K427 WeakPolarHBondContact O-CE 3.33Å; G129-K427 PolarHBondContact O-NZ 3.14Å; K427-L431 HydrophobicContact CB-CD1 4.04Å; K427-L431 HydrophobicContact CB-CD2 4Å; K427-L431 HydrophobicContact CD-CD1 3.91Å; K427-L431 HydrophobicContact CD-CD2 4.43Å; K427-T443 HydrophobicContact CD-CG2 3.76Å; K427-E445 VanDerWaalsContact CA-OE2 3.23Å; K427-E445 WeakPolarHBondContact CA-OE2 3.34Å; K427-E445 HydrophobicContact CB-CG 4.12Å; K427-E445 WeakPolarHBondContact CB-OE2 3.39Å; K427-E445 HydrophobicContact CD-CG 4.36Å; K427-E445 HydrophobicContact CG-CG 4.41Å; K427-E445 WeakPolarHBondContact CG-OE1 3.38Å; K427-E445 IonicContact NZ-OE1 2.69Å; K427-E445 PolarHBondContact NZ-OE1 2.76Å
428K98.5Very high94Very high61 Ų6161.3 Ų61.327%0.26533%0.334SS..  trans-117.1140.8-174.5-63.1179.8-173.4-174.20112.2N413 F415 E445 E446N413-K428 HydrophobicContact CB-CB 4.36Å; F415-K428 HydrophobicContact CB-CG 3.8Å; F415-K428 HydrophobicContact CD1-CD 3.79Å; F415-K428 VanDerWaalsContact CD1-CE 3.48Å; F415-K428 HydrophobicContact CD1-CG 3.64Å; F415-K428 HydrophobicContact CE1-CD 4.03Å; F415-K428 VanDerWaalsContact CE1-CE 3.43Å; F415-K428 HydrophobicContact CE1-CG 4.38Å; F415-K428 HydrophobicContact CG-CD 4.16Å; F415-K428 HydrophobicContact CG-CG 3.73Å; K428-E445 PolarHBondContact N-OE2 3.24Å; K428-E445 WeakPolarHBondContact O-CB 3.46Å; K428-E446 HydrophobicContact CB-CG 3.93Å; K428-E446 PolarHBondContact O-N 3.27Å
429G98.5Very high93.9Very high0 Ų061.2 Ų61.20%034%0.341CS..SBendtrans69.9-163.2169.700000115S403 N413S403-G429 WeakPolarHBondContact CB-O 3.44Å; S403-G429 VanDerWaalsContact O-CA 3.23Å; S403-G429 WeakPolarHBondContact O-CA 3.49Å; S403-G429 PolarHBondContact O-N 3.33Å; S403-G429 PolarHBondContact OG-O 3.04Å; S403-G429 VanDerWaalsContact OG-O 3.1Å; N413-G429 WeakPolarHBondContact OD1-CA 3.44Å
430R98.7Very high94Very high90 Ų9058.2 Ų58.234%0.3432%0.319SS..SBendtrans-67.6138.7173.8-65.7-178.667.4-125.5-2.2109.8Y404 E445 E446 G447 D450Y404-R430 HydrophobicContact CD1-CG 4.08Å; Y404-R430 HydrophobicContact CD2-CG 4.32Å; Y404-R430 HydrophobicContact CE1-CG 4.32Å; Y404-R430 HydrophobicContact CG-CG 4.07Å; R430-E445 CarbonylContact O-C 3.4Å; R430-E446 PolarHBondContact O-N 2.98Å; R430-G447 PolarHBondContact O-N 3.17Å; R430-D450 IonicContact NH1-OD1 3.12Å; R430-D450 PolarHBondContact NH1-OD1 3Å; R430-D450 IonicContact NH1-OD2 2.73Å; R430-D450 PolarHBondContact NH1-OD2 3.07Å
431L98.8Very high94.4Very high10 Ų1055 Ų555%0.05229%0.288CS..  trans-117.6149.8-174.3-52.6-174.7000111.2Y34 Y36 V131 K427 T443 L444 E445Y34-L431 HydrophobicContact CE1-CG 4.28Å; Y34-L431 PolarHBondContact OH-N 3.28Å; Y34-L431 VanDerWaalsContact OH-N 3.12Å; Y34-L431 PolarHBondContact OH-O 3.5Å; Y36-L431 HydrophobicContact CD1-CD1 3.65Å; Y36-L431 HydrophobicContact CD2-CD1 3.52Å; Y36-L431 HydrophobicContact CE1-CD1 4.18Å; Y36-L431 HydrophobicContact CE2-CD1 4.05Å; Y36-L431 HydrophobicContact CG-CD1 3.31Å; V131-L431 HydrophobicContact CB-CB 4.47Å; V131-L431 HydrophobicContact CB-CD1 4.23Å; V131-L431 HydrophobicContact CG1-CB 4.36Å; V131-L431 HydrophobicContact CG2-CB 4.42Å; V131-L431 HydrophobicContact CG2-CD1 4.21Å; K427-L431 HydrophobicContact CB-CD1 4.04Å; K427-L431 HydrophobicContact CB-CD2 4Å; K427-L431 HydrophobicContact CD-CD1 3.91Å; K427-L431 HydrophobicContact CD-CD2 4.43Å; L431-T443 HydrophobicContact CB-CG2 4.31Å; L431-T443 HydrophobicContact CD1-CG2 4.48Å; L431-T443 HydrophobicContact CD2-CG2 4.45Å; L431-L444 WeakPolarHBondContact CA-O 3.27Å; L431-E445 HydrophobicContact CD2-CB 4.09Å; L431-E445 HydrophobicContact CD2-CG 3.83Å
432S98.8Very high95Very high9 Ų954.8 Ų54.86%0.06329%0.287CS..EExtended strand (participates in β ladder)trans-147.1153171.651.10000109.8H434 T443 L444 G449 D457S432-H434 WeakPolarHBondContact CB-NE2 3.34Å; S432-H434 PolarHBondContact OG-NE2 3.27Å; S432-T443 CarbonylContact O-C 3.56Å; S432-T443 WeakPolarHBondContact O-CA 3.43Å; S432-L444 PolarHBondContact N-O 2.92Å; S432-L444 PolarHBondContact O-N 3.04Å; S432-G449 WeakPolarHBondContact OG-CA 3.5Å; S432-D457 VanDerWaalsContact CB-CG 3.48Å; S432-D457 WeakPolarHBondContact CB-OD2 3.31Å
433L98.8Very high95.5Very high0 Ų051.8 Ų51.80%027%0.268CS..EExtended strand (participates in β ladder)trans-112.4129.6-178.2-177.168000109.8V120 I126 N130 V131 F441 D457 L458 L459V120-L433 HydrophobicContact CB-CD2 4.22Å; V120-L433 HydrophobicContact CG2-CD2 3.88Å; I126-L433 HydrophobicContact CD1-CD2 4.3Å; N130-L433 HydrophobicContact CB-CD1 3.86Å; V131-L433 HydrophobicContact CG1-CB 3.93Å; L433-F441 HydrophobicContact CD1-CB 4.29Å; L433-F441 HydrophobicContact CD1-CD1 4.37Å; L433-F441 HydrophobicContact CD2-CD1 4.28Å; L433-F441 HydrophobicContact CG-CD1 4.3Å; L433-D457 PolarHBondContact N-OD1 3.19Å; L433-D457 WeakPolarHBondContact O-CA 3.43Å; L433-L458 HydrophobicContact CB-CB 4.36Å; L433-L458 HydrophobicContact CD2-CB 4.3Å; L433-L458 HydrophobicContact CG-CB 4.36Å; L433-L458 HydrophobicContact CG-CD1 4.35Å; L433-L458 WeakPolarHBondContact O-CB 3.24Å; L433-L458 WeakPolarHBondContact O-CG 3.18Å; L433-L458 PolarHBondContact O-N 2.91Å; L433-L459 HydrophobicContact CB-CD2 4.11Å; L433-L459 HydrophobicContact CB-CG 4.08Å; L433-L459 HydrophobicContact CD2-CD2 4.45Å
434H98.5Very high96Very high2 Ų250.3 Ų50.31%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-134.8166.4-174.3-61.4-93.8000112.5S432 F441 V442 G455 V456S432-H434 WeakPolarHBondContact CB-NE2 3.34Å; S432-H434 PolarHBondContact OG-NE2 3.27Å; H434-F441 WeakPolarHBondContact O-CA 3.29Å; H434-V442 HydrophobicContact CB-CG1 4.2Å; H434-V442 PolarHBondContact N-O 3.19Å; H434-V442 PolarHBondContact O-N 3.01Å; H434-G455 PolarHBondContact CE1-O 3.05Å; H434-G455 PolarHBondContact ND1-O 3.42Å; H434-V456 PolarHBondContact ND1-O 3.39Å
435R96.9Very high96.5Very high103 Ų10347.9 Ų47.939%0.38925%0.25SS..EExtended strand (participates in β ladder)trans-84.7138.7166.4-72.4-68.4-175.5-172.2-10.1110.4G439 D440 F441 L458R435-G439 WeakPolarHBondContact CD-O 3.3Å; R435-G439 PolarHBondContact NH1-O 3.12Å; R435-D440 CarbonylContact C-O 3.52Å; R435-D440 VanDerWaalsContact CA-O 3.26Å; R435-D440 WeakPolarHBondContact CA-O 3.24Å; R435-D440 WeakPolarHBondContact CD-O 3.28Å; R435-F441 VanDerWaalsContact CZ-CE1 3.48Å; R435-L458 HydrophobicContact CG-CD1 4.28Å
436T94.6Very high96.6Very high30 Ų3044.6 Ų44.618%0.18424%0.241CC..  trans-79.2165.1166.265.20000110.3S438 G439 D440 V442T436-S438 PolarHBondContact O-N 3.29Å; T436-S438 PolarHBondContact OG1-N 3.5Å; T436-S438 PolarHBondContact OG1-OG 2.78Å; T436-G439 PolarHBondContact O-N 2.9Å; T436-G439 PolarHBondContact OG1-N 2.94Å; T436-D440 HydrophobicContact CG2-CB 4.27Å; T436-D440 PolarHBondContact N-O 2.89Å; T436-D440 WeakPolarHBondContact OG1-CA 3.49Å; T436-D440 WeakPolarHBondContact OG1-CB 3.42Å; T436-D440 PolarHBondContact OG1-N 3.48Å; T436-V442 HydrophobicContact CG2-CB 3.88Å; T436-V442 HydrophobicContact CG2-CG1 3.82Å
437P91.5Very high96.7Very high133 Ų13345 Ų4586%0.86425%0.246SC*.THydrogen-bonded Turntrans-58-25.5171.1-26.736000114.4G439P437-G439 PolarHBondContact O-N 2.96Å
438S89.9Confident96.6Very high91 Ų9148.5 Ų48.564%0.63626%0.262SS*.THydrogen-bonded Turntrans-76.7-8.5173.760.90000113.7T436 D440T436-S438 PolarHBondContact O-N 3.29Å; T436-S438 PolarHBondContact OG1-N 3.5Å; T436-S438 PolarHBondContact OG1-OG 2.78Å; S438-D440 PolarHBondContact OG-OD2 3.37Å
439G89.5Confident96.5Very high39 Ų3946.1 Ų46.140%0.40225%0.254SS..SBendtrans88.40.2-173.800000114.6R435 T436 P437R435-G439 WeakPolarHBondContact CD-O 3.3Å; R435-G439 PolarHBondContact NH1-O 3.12Å; T436-G439 PolarHBondContact O-N 2.9Å; T436-G439 PolarHBondContact OG1-N 2.94Å; P437-G439 PolarHBondContact O-N 2.96Å
440D91.9Very high96.4Very high84 Ų8451.3 Ų51.345%0.44928%0.282SS..  trans-73.7-173.7172.2-67.2-56.7000112.1R435 T436 S438R435-D440 CarbonylContact C-O 3.52Å; R435-D440 VanDerWaalsContact CA-O 3.26Å; R435-D440 WeakPolarHBondContact CA-O 3.24Å; R435-D440 WeakPolarHBondContact CD-O 3.28Å; T436-D440 HydrophobicContact CG2-CB 4.27Å; T436-D440 PolarHBondContact N-O 2.89Å; T436-D440 WeakPolarHBondContact OG1-CA 3.49Å; T436-D440 WeakPolarHBondContact OG1-CB 3.42Å; T436-D440 PolarHBondContact OG1-N 3.48Å; S438-D440 PolarHBondContact OG-OD2 3.37Å
441F96.9Very high96.2Very high31 Ų3152.1 Ų52.114%0.13629%0.293CS..EExtended strand (participates in β ladder)trans-114.1143.4179.4-67.1-88.2000111.9V125 I126 P127 L433 H434 R435 L458V125-F441 WeakPolarHBondContact O-CE2 3.29Å; I126-F441 HydrophobicContact CD1-CD1 3.85Å; I126-F441 HydrophobicContact CD1-CD2 4.19Å; I126-F441 HydrophobicContact CD1-CE1 3.35Å; I126-F441 HydrophobicContact CD1-CE2 3.72Å; I126-F441 HydrophobicContact CD1-CG 4.21Å; I126-F441 HydrophobicContact CD1-CZ 3.23Å; P127-F441 VanDerWaalsContact CD-CD2 3.41Å; P127-F441 HydrophobicContact CG-CB 4.42Å; P127-F441 HydrophobicContact CG-CD2 4.13Å; L433-F441 HydrophobicContact CD1-CB 4.29Å; L433-F441 HydrophobicContact CD1-CD1 4.37Å; L433-F441 HydrophobicContact CD2-CD1 4.28Å; L433-F441 HydrophobicContact CG-CD1 4.3Å; H434-F441 WeakPolarHBondContact O-CA 3.29Å; R435-F441 VanDerWaalsContact CZ-CE1 3.48Å; F441-L458 HydrophobicContact CD1-CD1 3.84Å; F441-L458 HydrophobicContact CE1-CD1 3.64Å
442V97.9Very high96Very high39 Ų3959.2 Ų59.224%0.23633%0.325CS..EExtended strand (participates in β ladder)trans-139.6135.3173.6630000111.3H434 T436 L444 Y454H434-V442 HydrophobicContact CB-CG1 4.2Å; H434-V442 PolarHBondContact N-O 3.19Å; H434-V442 PolarHBondContact O-N 3.01Å; T436-V442 HydrophobicContact CG2-CB 3.88Å; T436-V442 HydrophobicContact CG2-CG1 3.82Å; V442-L444 HydrophobicContact CG1-CD2 4.45Å; V442-L444 HydrophobicContact CG2-CD2 4.25Å; V442-Y454 HydrophobicContact CG1-CD1 3.78Å; V442-Y454 HydrophobicContact CG1-CE1 4.04Å; V442-Y454 HydrophobicContact CG1-CG 4.43Å
443T98.6Very high95.7Very high13 Ų1365.7 Ų65.78%0.0836%0.355CS..EExtended strand (participates in β ladder)trans-92.1117.3169.7-62.70000109.1N130 V131 K427 L431 S432N130-T443 WeakPolarHBondContact CA-OG1 3.47Å; N130-T443 WeakPolarHBondContact CB-OG1 3.47Å; N130-T443 PolarHBondContact OD1-N 2.87Å; N130-T443 PolarHBondContact OD1-OG1 2.97Å; V131-T443 HydrophobicContact CB-CG2 3.98Å; V131-T443 HydrophobicContact CG1-CG2 3.64Å; V131-T443 PolarHBondContact N-OG1 3.22Å; K427-T443 HydrophobicContact CD-CG2 3.76Å; L431-T443 HydrophobicContact CB-CG2 4.31Å; L431-T443 HydrophobicContact CD1-CG2 4.48Å; L431-T443 HydrophobicContact CD2-CG2 4.45Å; S432-T443 CarbonylContact O-C 3.56Å; S432-T443 WeakPolarHBondContact O-CA 3.43Å
444L98.5Very high95.5Very high22 Ų2270.1 Ų70.112%0.11537%0.372CS..EExtended strand (participates in β ladder)trans-85.9129.4171.9-59.9-176.7000109.3L431 S432 V442 K448 Y454L431-L444 WeakPolarHBondContact CA-O 3.27Å; S432-L444 PolarHBondContact N-O 2.92Å; S432-L444 PolarHBondContact O-N 3.04Å; V442-L444 HydrophobicContact CG1-CD2 4.45Å; V442-L444 HydrophobicContact CG2-CD2 4.25Å; L444-K448 HydrophobicContact CB-CB 4.28Å; L444-Y454 HydrophobicContact CD1-CD2 3.81Å; L444-Y454 HydrophobicContact CD1-CG 4.21Å; L444-Y454 HydrophobicContact CD2-CD2 4.19Å; L444-Y454 HydrophobicContact CD2-CE2 4.27Å
445E98.7Very high95.3Very high59 Ų5972.3 Ų72.328%0.27640%0.395SS..PPolyproline II helixtrans-99.8170-179.5-61.4-170.7-151.300111K427 K428 R430 L431 G447 K448K427-E445 VanDerWaalsContact CA-OE2 3.23Å; K427-E445 WeakPolarHBondContact CA-OE2 3.34Å; K427-E445 HydrophobicContact CB-CG 4.12Å; K427-E445 WeakPolarHBondContact CB-OE2 3.39Å; K427-E445 HydrophobicContact CD-CG 4.36Å; K427-E445 HydrophobicContact CG-CG 4.41Å; K427-E445 WeakPolarHBondContact CG-OE1 3.38Å; K427-E445 IonicContact NZ-OE1 2.69Å; K427-E445 PolarHBondContact NZ-OE1 2.76Å; K428-E445 PolarHBondContact N-OE2 3.24Å; K428-E445 WeakPolarHBondContact O-CB 3.46Å; R430-E445 CarbonylContact O-C 3.4Å; L431-E445 HydrophobicContact CD2-CB 4.09Å; L431-E445 HydrophobicContact CD2-CG 3.83Å; E445-G447 PolarHBondContact O-N 2.79Å; E445-G447 VanDerWaalsContact O-N 3.13Å; E445-K448 WeakPolarHBondContact O-CB 2.96Å; E445-K448 VanDerWaalsContact O-CG 3.29Å; E445-K448 WeakPolarHBondContact O-CG 3.32Å; E445-K448 PolarHBondContact O-N 3.03Å; E445-K448 VanDerWaalsContact O-N 3.08Å
446E98.4Very high95.2Very high83 Ų8372.8 Ų72.839%0.38841%0.409SS..THydrogen-bonded Turntrans58.128.9171.1-51.8-17916000114.1N413 K428 R430 K448N413-E446 WeakPolarHBondContact ND2-CG 3.18Å; K428-E446 HydrophobicContact CB-CG 3.93Å; K428-E446 PolarHBondContact O-N 3.27Å; R430-E446 PolarHBondContact O-N 2.98Å; E446-K448 PolarHBondContact O-N 3.44Å; E446-K448 IonicContact OE2-NZ 3.85Å
447G97.6Very high95.4Very high16 Ų1673.3 Ų73.317%0.16541%0.411CS..THydrogen-bonded Turntrans74.18.6-179.700000114.7R430 E445 G449 D450R430-G447 PolarHBondContact O-N 3.17Å; E445-G447 PolarHBondContact O-N 2.79Å; E445-G447 VanDerWaalsContact O-N 3.13Å; G447-G449 PolarHBondContact O-N 2.99Å; G447-D450 WeakPolarHBondContact O-CB 3.39Å; G447-D450 PolarHBondContact O-N 3.45Å
448K98.1Very high95.7Very high104 Ų10468.7 Ų68.745%0.45238%0.379SS..G310 helixtrans-62.9-13.8-178-68.8175.8-175.4176.50114.6L444 E445 E446 D450 L451L444-K448 HydrophobicContact CB-CB 4.28Å; E445-K448 WeakPolarHBondContact O-CB 2.96Å; E445-K448 VanDerWaalsContact O-CG 3.29Å; E445-K448 WeakPolarHBondContact O-CG 3.32Å; E445-K448 PolarHBondContact O-N 3.03Å; E445-K448 VanDerWaalsContact O-N 3.08Å; E446-K448 PolarHBondContact O-N 3.44Å; E446-K448 IonicContact OE2-NZ 3.85Å; K448-D450 PolarHBondContact O-N 2.83Å; K448-L451 HydrophobicContact CB-CD1 4.25Å; K448-L451 HydrophobicContact CG-CD1 4.33Å; K448-L451 VanDerWaalsContact O-CB 3.32Å; K448-L451 WeakPolarHBondContact O-CB 3.37Å; K448-L451 WeakPolarHBondContact O-CG 3.3Å; K448-L451 PolarHBondContact O-N 2.94Å; K448-L451 VanDerWaalsContact O-N 3.16Å
449G96.4Very high96.1Very high10 Ų1064.8 Ų64.810%0.10335%0.351CS..G310 helixtrans-59.9-28.5168.700000113.5S432 G447 L451 E452S432-G449 WeakPolarHBondContact OG-CA 3.5Å; G447-G449 PolarHBondContact O-N 2.99Å; G449-L451 PolarHBondContact O-N 3.25Å; G449-E452 PolarHBondContact O-N 3.31Å; G449-E452 VanDerWaalsContact O-N 3.1Å
450D95.3Very high96.6Very high109 Ų10966.3 Ų66.358%0.58335%0.347SS*.G310 helixtrans-70.2-8.8178-57.3-25.7000112.2R430 G447 K448 E452R430-D450 IonicContact NH1-OD1 3.12Å; R430-D450 PolarHBondContact NH1-OD1 3Å; R430-D450 IonicContact NH1-OD2 2.73Å; R430-D450 PolarHBondContact NH1-OD2 3.07Å; G447-D450 WeakPolarHBondContact O-CB 3.39Å; G447-D450 PolarHBondContact O-N 3.45Å; K448-D450 PolarHBondContact O-N 2.83Å; D450-E452 VanDerWaalsContact C-N 3.31Å
451L94.9Very high96.9Very high107 Ų10764 Ų6456%0.5634%0.337SS*.G310 helixtrans-79.7-12.6172.2-58.4175000112.9K448 G449 E453K448-L451 HydrophobicContact CB-CD1 4.25Å; K448-L451 HydrophobicContact CG-CD1 4.33Å; K448-L451 VanDerWaalsContact O-CB 3.32Å; K448-L451 WeakPolarHBondContact O-CB 3.37Å; K448-L451 WeakPolarHBondContact O-CG 3.3Å; K448-L451 PolarHBondContact O-N 2.94Å; K448-L451 VanDerWaalsContact O-N 3.16Å; G449-L451 PolarHBondContact O-N 3.25Å; L451-E453 HydrophobicContact CB-CG 4.1Å; L451-E453 PolarHBondContact O-N 3.13Å
452E93.6Very high96.9Very high159 Ų15962.9 Ų62.974%0.74333%0.332SS*.  trans59.216.3176.7-55.9-174.1153.800115.5G449 D450 Y454 G455G449-E452 PolarHBondContact O-N 3.31Å; G449-E452 VanDerWaalsContact O-N 3.1Å; D450-E452 VanDerWaalsContact C-N 3.31Å; E452-Y454 VanDerWaalsContact C-N 3.29Å; E452-Y454 PolarHBondContact O-N 3.36Å; E452-G455 PolarHBondContact O-N 2.88Å
453E93.8Very high97Very high145 Ų14561 Ų6168%0.67832%0.321SS*.THydrogen-bonded Turntrans-68.8-22.4-178.4-66.7179.5179.600114.2L451L451-E453 HydrophobicContact CB-CG 4.1Å; L451-E453 PolarHBondContact O-N 3.13Å
454Y93.7Very high96.9Very high93 Ų9364.2 Ų64.237%0.36534%0.335SS..THydrogen-bonded Turntrans-113.717.1-176.3-72.1-100.9000113.1V442 L444 E452V442-Y454 HydrophobicContact CG1-CD1 3.78Å; V442-Y454 HydrophobicContact CG1-CE1 4.04Å; V442-Y454 HydrophobicContact CG1-CG 4.43Å; L444-Y454 HydrophobicContact CD1-CD2 3.81Å; L444-Y454 HydrophobicContact CD1-CG 4.21Å; L444-Y454 HydrophobicContact CD2-CD2 4.19Å; L444-Y454 HydrophobicContact CD2-CE2 4.27Å; E452-Y454 VanDerWaalsContact C-N 3.29Å; E452-Y454 PolarHBondContact O-N 3.36Å
455G94Very high96.8Very high48 Ų4866 Ų6650%0.49535%0.345SS..  trans77.1-145.3-179.100000113H434 E452H434-G455 PolarHBondContact CE1-O 3.05Å; H434-G455 PolarHBondContact ND1-O 3.42Å; E452-G455 PolarHBondContact O-N 2.88Å
456V95.7Very high96.7Very high113 Ų11363.4 Ų63.469%0.68533%0.334SS*.SBendtrans-81.4138.8-170.971.20000112.3H434 L458H434-V456 PolarHBondContact ND1-O 3.39Å; V456-L458 HydrophobicContact CG1-CD2 4.38Å; V456-L458 PolarHBondContact O-N 2.92Å
457D98.3Very high96.6Very high42 Ų4266.5 Ų66.523%0.22535%0.346CS..  trans-63.4126.5168.2-173.99.8000110.4S432 L433 L459S432-D457 VanDerWaalsContact CB-CG 3.48Å; S432-D457 WeakPolarHBondContact CB-OD2 3.31Å; L433-D457 PolarHBondContact N-OD1 3.19Å; L433-D457 WeakPolarHBondContact O-CA 3.43Å; D457-L459 VanDerWaalsContact C-N 3.29Å; D457-L459 WeakPolarHBondContact OD1-CG 3.37Å; D457-L459 PolarHBondContact OD1-N 3.17Å
458L98.4Very high96.5Very high35 Ų3566.8 Ų66.818%0.18334%0.343CS..  trans-82.7-7.5-179.3-57.6179.3000112.6L433 R435 F441 V456 H460L433-L458 HydrophobicContact CB-CB 4.36Å; L433-L458 HydrophobicContact CD2-CB 4.3Å; L433-L458 HydrophobicContact CG-CB 4.36Å; L433-L458 HydrophobicContact CG-CD1 4.35Å; L433-L458 WeakPolarHBondContact O-CB 3.24Å; L433-L458 WeakPolarHBondContact O-CG 3.18Å; L433-L458 PolarHBondContact O-N 2.91Å; R435-L458 HydrophobicContact CG-CD1 4.28Å; F441-L458 HydrophobicContact CD1-CD1 3.84Å; F441-L458 HydrophobicContact CE1-CD1 3.64Å; V456-L458 HydrophobicContact CG1-CD2 4.38Å; V456-L458 PolarHBondContact O-N 2.92Å; L458-H460 PolarHBondContact O-CD2 2.87Å
459L98.8Very high96.5Very high10 Ų1065.7 Ų65.75%0.05235%0.345CS..  trans-79.9120.1171.8-56.1-175.6000110.4K118 V120 V131 T134 L433 D457K118-L459 HydrophobicContact CB-CB 3.96Å; V120-L459 HydrophobicContact CB-CD2 4.14Å; V131-L459 HydrophobicContact CG1-CD1 3.95Å; V131-L459 HydrophobicContact CG2-CD1 4.07Å; T134-L459 HydrophobicContact CG2-CD1 3.72Å; L433-L459 HydrophobicContact CB-CD2 4.11Å; L433-L459 HydrophobicContact CB-CG 4.08Å; L433-L459 HydrophobicContact CD2-CD2 4.45Å; D457-L459 VanDerWaalsContact C-N 3.29Å; D457-L459 WeakPolarHBondContact OD1-CG 3.37Å; D457-L459 PolarHBondContact OD1-N 3.17Å
460H98.4Very high96.5Very high71 Ų7168.7 Ų68.733%0.32936%0.355SS..EExtended strand (participates in β ladder)trans-105.5141.4177-57.5-69.2000110.9K118 A119 L458 V462 K470K118-H460 CarbonylContact C-O 3.56Å; K118-H460 WeakPolarHBondContact CA-O 3.41Å; A119-H460 PolarHBondContact N-O 3.14Å; A119-H460 PolarHBondContact O-N 2.63Å; L458-H460 PolarHBondContact O-CD2 2.87Å; H460-V462 PolarHBondContact O-N 3.23Å; H460-V462 VanDerWaalsContact O-N 3.08Å; H460-K470 HydrophobicContact CB-CD 4.23Å
461T98.7Very high96.6Very high36 Ų3667.2 Ų67.222%0.22135%0.347CS..EExtended strand (participates in β ladder)trans-59.9115.1169.8-53.60000109.7E116 Q464 V469E116-T461 HydrophobicContact CG-CG2 3.84Å; E116-T461 WeakPolarHBondContact OE1-CG2 3.41Å; E116-T461 PolarHBondContact OE1-OG1 2.95Å; T461-Q464 HydrophobicContact CG2-CB 4.13Å; T461-V469 HydrophobicContact CG2-CB 4.44Å; T461-V469 HydrophobicContact CG2-CG2 4.18Å
462V98.4Very high96.7Very high7 Ų762.8 Ų62.84%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-106.6-24.7179.2-68.70000111.7L62 L66 I117 A119 H460 I468 V469 K470L62-V462 HydrophobicContact CD2-CG2 4.07Å; L66-V462 HydrophobicContact CD1-CB 4.16Å; L66-V462 HydrophobicContact CD1-CG2 3.83Å; I117-V462 HydrophobicContact CB-CG2 4.24Å; I117-V462 HydrophobicContact CG2-CG2 3.97Å; I117-V462 WeakPolarHBondContact O-CG2 3.48Å; I117-V462 PolarHBondContact O-N 2.97Å; A119-V462 HydrophobicContact CB-CG1 4.17Å; A119-V462 HydrophobicContact CB-CG2 3.92Å; H460-V462 PolarHBondContact O-N 3.23Å; H460-V462 VanDerWaalsContact O-N 3.08Å; V462-I468 CarbonylContact O-C 3.6Å; V462-I468 WeakPolarHBondContact O-CA 3.47Å; V462-V469 PolarHBondContact O-N 3.11Å; V462-K470 HydrophobicContact CG1-CB 4.38Å
463F98.4Very high97Very high0 Ų057.9 Ų57.90%030%0.304CS..EExtended strand (participates in β ladder)trans-141138176.2-178.3-85.7000110.3L66 L70 K71 I115 E116 I117 K467 I468L66-F463 HydrophobicContact CD1-CB 4.15Å; L66-F463 HydrophobicContact CD2-CB 4.11Å; L66-F463 HydrophobicContact CD2-CD2 4.31Å; L66-F463 HydrophobicContact CD2-CG 4.35Å; L70-F463 HydrophobicContact CB-CE2 3.82Å; L70-F463 HydrophobicContact CB-CZ 4.01Å; K71-F463 HydrophobicContact CB-CE2 4.43Å; I115-F463 HydrophobicContact CD1-CD1 4.45Å; I115-F463 HydrophobicContact CD1-CE1 4.09Å; I115-F463 HydrophobicContact CG1-CD1 3.92Å; I115-F463 HydrophobicContact CG1-CE1 3.54Å; E116-F463 WeakPolarHBondContact CA-O 3.45Å; I117-F463 HydrophobicContact CB-CB 4.06Å; I117-F463 HydrophobicContact CD1-CB 4.28Å; I117-F463 HydrophobicContact CD1-CD1 4.35Å; I117-F463 HydrophobicContact CD1-CG 4.48Å; I117-F463 HydrophobicContact CG1-CB 4.25Å; I117-F463 HydrophobicContact CG1-CD1 4.34Å; I117-F463 PolarHBondContact N-O 3.28Å; I117-F463 PolarHBondContact O-N 2.89Å; F463-K467 CarbonylContact C-O 3.42Å; F463-K467 VanDerWaalsContact CA-O 3.26Å; F463-K467 WeakPolarHBondContact CA-O 3.44Å; F463-I468 HydrophobicContact CD2-CG1 4.19Å
464Q97.7Very high97.2Very high80 Ų8051 Ų5137%0.37427%0.272SS..EExtended strand (participates in β ladder)trans-150.8126.9173.8-165.2175.83800110.3I115 E116 T461 G466 K467 V469I115-Q464 WeakPolarHBondContact O-CA 3.38Å; E116-Q464 HydrophobicContact CB-CG 4.45Å; E116-Q464 HydrophobicContact CG-CG 4.42Å; T461-Q464 HydrophobicContact CG2-CB 4.13Å; Q464-G466 VanDerWaalsContact C-N 3.35Å; Q464-G466 PolarHBondContact O-N 3.27Å; Q464-K467 PolarHBondContact N-O 3.18Å; Q464-K467 WeakPolarHBondContact O-CB 3.37Å; Q464-K467 PolarHBondContact O-N 3.06Å; Q464-V469 HydrophobicContact CB-CG2 3.92Å
465N96.7Very high97.5Very high60 Ų6048.7 Ų48.732%0.32127%0.266SS..THydrogen-bonded Turntrans51.148.2171.6-59.4-22.9000113.6L113 I115 T138 K467L113-N465 CarbonylContact O-C 3.57Å; L113-N465 WeakPolarHBondContact O-CA 3.22Å; I115-N465 PolarHBondContact O-N 3.22Å; T138-N465 WeakPolarHBondContact CB-OD1 3.49Å; T138-N465 WeakPolarHBondContact CG2-OD1 3.45Å; T138-N465 PolarHBondContact OG1-OD1 3.25Å; N465-K467 VanDerWaalsContact C-N 3.32Å; N465-K467 PolarHBondContact O-N 3.42Å
466G95.6Very high97.7Very high4 Ų450.5 Ų50.54%0.04126%0.262CS..THydrogen-bonded Turntrans82.8-1.7-179.400000115.9L113 Q464L113-G466 PolarHBondContact O-N 3.29Å; L113-G466 VanDerWaalsContact O-N 3.13Å; Q464-G466 VanDerWaalsContact C-N 3.35Å; Q464-G466 PolarHBondContact O-N 3.27Å
467K96.2Very high97.8Very high148 Ų14845.1 Ų45.164%0.64323%0.229SC*.EExtended strand (participates in β ladder)trans-114.9137.2-175.7-58.9-178.3-177.4176.90110.9F463 Q464 N465F463-K467 CarbonylContact C-O 3.42Å; F463-K467 VanDerWaalsContact CA-O 3.26Å; F463-K467 WeakPolarHBondContact CA-O 3.44Å; Q464-K467 PolarHBondContact N-O 3.18Å; Q464-K467 WeakPolarHBondContact O-CB 3.37Å; Q464-K467 PolarHBondContact O-N 3.06Å; N465-K467 VanDerWaalsContact C-N 3.32Å; N465-K467 PolarHBondContact O-N 3.42Å
468I96.4Very high97.9Very high22 Ų2245 Ų4511%0.11323%0.225CC..EExtended strand (participates in β ladder)trans-78.7123.2165.8-70.1172.8000108.5L66 H67 K71 V462 F463 K470 N471L66-I468 HydrophobicContact CB-CD1 3.79Å; L66-I468 HydrophobicContact CB-CG1 4.06Å; H67-I468 HydrophobicContact CB-CD1 4.15Å; H67-I468 WeakPolarHBondContact CD2-CD1 3.44Å; H67-I468 WeakPolarHBondContact NE2-CD1 3.4Å; K71-I468 HydrophobicContact CB-CD1 3.99Å; K71-I468 HydrophobicContact CB-CG1 4.09Å; K71-I468 HydrophobicContact CD-CB 3.82Å; K71-I468 HydrophobicContact CD-CD1 3.28Å; K71-I468 HydrophobicContact CD-CG1 3.49Å; K71-I468 VanDerWaalsContact CD-CG1 3.49Å; K71-I468 HydrophobicContact CG-CD1 4.22Å; K71-I468 HydrophobicContact CG-CG1 4.26Å; V462-I468 CarbonylContact O-C 3.6Å; V462-I468 WeakPolarHBondContact O-CA 3.47Å; F463-I468 HydrophobicContact CD2-CG1 4.19Å; I468-K470 VanDerWaalsContact CG2-O 3.25Å; I468-K470 WeakPolarHBondContact CG2-O 3.38Å; I468-N471 WeakPolarHBondContact CG2-OD1 3.26Å
469V96.6Very high97.9Very high81 Ų8148.1 Ų48.149%0.49124%0.242SC..  trans-93.6-31.9-175.4-1800000111.2T461 V462 Q464T461-V469 HydrophobicContact CG2-CB 4.44Å; T461-V469 HydrophobicContact CG2-CG2 4.18Å; V462-V469 PolarHBondContact O-N 3.11Å; Q464-V469 HydrophobicContact CB-CG2 3.92Å
470K96.7Very high97.8Very high73 Ų7350.8 Ų50.832%0.31726%0.257SS..  trans-138.9138.2-179-170.7171.4-175.9-173.40110.6H460 V462 I468 Y472H460-K470 HydrophobicContact CB-CD 4.23Å; V462-K470 HydrophobicContact CG1-CB 4.38Å; I468-K470 VanDerWaalsContact CG2-O 3.25Å; I468-K470 WeakPolarHBondContact CG2-O 3.38Å; K470-Y472 HydrophobicContact CD-CE1 4.42Å; K470-Y472 WeakPolarHBondContact CD-OH 3.48Å; K470-Y472 WeakPolarHBondContact CE-OH 3.42Å; K470-Y472 HydrophobicContact CG-CE2 4.49Å; K470-Y472 PolarHBondContact NZ-OH 3.04Å; K470-Y472 VanDerWaalsContact NZ-OH 3.12Å
471N96.9Very high97.8Very high78 Ų7847.5 Ų47.542%0.41724%0.242SC..  trans-122.3154172.6-63.7-80.9000109.9H67 I468H67-N471 PolarHBondContact CE1-OD1 3.35Å; H67-N471 PolarHBondContact NE2-OD1 3.27Å; I468-N471 WeakPolarHBondContact CG2-OD1 3.26Å
472Y98.5Very high97.7Very high13 Ų1351.6 Ų51.65%0.05126%0.257CS..  trans-117.2135.8169.5-59.1-79.5000109.2Q63 P121 E122 K470Q63-Y472 PolarHBondContact NE2-O 3.38Å; P121-Y472 WeakPolarHBondContact CA-OH 3.49Å; P121-Y472 HydrophobicContact CB-CE1 3.7Å; P121-Y472 HydrophobicContact CG-CE1 4.39Å; E122-Y472 HydrophobicContact CB-CD2 4.08Å; E122-Y472 HydrophobicContact CB-CG 4.41Å; E122-Y472 HydrophobicContact CG-CD2 4.15Å; K470-Y472 HydrophobicContact CD-CE1 4.42Å; K470-Y472 WeakPolarHBondContact CD-OH 3.48Å; K470-Y472 WeakPolarHBondContact CE-OH 3.42Å; K470-Y472 HydrophobicContact CG-CE2 4.49Å; K470-Y472 PolarHBondContact NZ-OH 3.04Å; K470-Y472 VanDerWaalsContact NZ-OH 3.12Å
473T98.8Very high97.6Very high57 Ų5752.4 Ų52.435%0.3526%0.261SS..  trans-72.3157.1166.762.70000109.9Y232 D475 E476 V477Y232-T473 WeakPolarHBondContact O-CA 3.47Å; T473-D475 PolarHBondContact O-N 2.96Å; T473-E476 WeakPolarHBondContact CB-OE2 3.27Å; T473-E476 PolarHBondContact N-OE2 3.25Å; T473-E476 PolarHBondContact O-N 3.4Å; T473-E476 VanDerWaalsContact OG1-CG 3.26Å; T473-E476 WeakPolarHBondContact OG1-CG 3.24Å; T473-E476 PolarHBondContact OG1-N 2.82Å; T473-E476 PolarHBondContact OG1-OE2 3.49Å; T473-V477 WeakPolarHBondContact O-CG2 3.5Å; T473-V477 PolarHBondContact O-N 3.09Å; T473-V477 VanDerWaalsContact O-N 3.14Å
474F98.8Very high97.2Very high0 Ų057.8 Ų57.80%028%0.284CS..Hα-helixtrans-68.4-25.4179.1-162.3-108.1000112.2Y60 S210 L213 V214 I228 Y232 G233 T234 P239 V477 R478Y60-F474 HydrophobicContact CE2-CD2 4.28Å; Y60-F474 AromaticContact CE2-CE2 3.91Å; Y60-F474 HydrophobicContact CE2-CE2 3.91Å; Y60-F474 AromaticContact CZ-CE2 3.95Å; S210-F474 WeakPolarHBondContact O-CZ 3.46Å; L213-F474 HydrophobicContact CB-CE1 4.02Å; L213-F474 HydrophobicContact CB-CZ 3.83Å; V214-F474 HydrophobicContact CG2-CE2 3.89Å; V214-F474 HydrophobicContact CG2-CZ 3.94Å; I228-F474 HydrophobicContact CD1-CD1 4.07Å; I228-F474 HydrophobicContact CD1-CD2 4.16Å; I228-F474 HydrophobicContact CD1-CE1 3.57Å; I228-F474 HydrophobicContact CD1-CE2 3.69Å; I228-F474 HydrophobicContact CD1-CG 4.34Å; I228-F474 HydrophobicContact CD1-CZ 3.36Å; I228-F474 HydrophobicContact CG1-CD1 4.49Å; I228-F474 HydrophobicContact CG1-CD2 3.89Å; I228-F474 HydrophobicContact CG1-CE1 4.34Å; I228-F474 HydrophobicContact CG1-CE2 3.75Å; I228-F474 HydrophobicContact CG1-CG 4.27Å; I228-F474 HydrophobicContact CG1-CZ 3.98Å; I228-F474 HydrophobicContact CG2-CB 3.73Å; I228-F474 HydrophobicContact CG2-CD1 3.91Å; I228-F474 HydrophobicContact CG2-CD2 3.97Å; I228-F474 HydrophobicContact CG2-CG 3.59Å; Y232-F474 HydrophobicContact CG-CD2 4.29Å; G233-F474 WeakPolarHBondContact O-CB 3.48Å; G233-F474 PolarHBondContact O-N 3.46Å; T234-F474 HydrophobicContact CG2-CB 3.72Å; T234-F474 HydrophobicContact CG2-CD1 3.94Å; T234-F474 HydrophobicContact CG2-CG 4.26Å; P239-F474 HydrophobicContact CB-CD1 4.05Å; P239-F474 HydrophobicContact CB-CE1 4.02Å; F474-V477 PolarHBondContact O-N 2.62Å; F474-R478 HydrophobicContact CD1-CG 4.27Å; F474-R478 HydrophobicContact CE1-CG 4.14Å; F474-R478 WeakPolarHBondContact O-CG 3.45Å; F474-R478 PolarHBondContact O-N 2.72Å
475D98.7Very high96.6Very high44 Ų4460 Ų6024%0.23530%0.298CS..Hα-helixtrans-66.7-45.2174-57.9-45.5000111T234 K235 T473 V477 R478 D479T234-D475 WeakPolarHBondContact CA-OD2 3.38Å; K235-D475 WeakPolarHBondContact CB-OD2 3.45Å; K235-D475 PolarHBondContact N-OD2 2.84Å; T473-D475 PolarHBondContact O-N 2.96Å; D475-V477 VanDerWaalsContact C-N 3.3Å; D475-V477 PolarHBondContact O-N 3.28Å; D475-R478 PolarHBondContact O-N 3.25Å; D475-D479 WeakPolarHBondContact O-CB 3.22Å; D475-D479 PolarHBondContact O-N 3.02Å
476E98.8Very high95.9Very high87 Ų8758.9 Ų58.941%0.40730%0.301SS..Hα-helixtrans-60.2-40.5173-72166.6117.200111.9T473 D479 N480T473-E476 WeakPolarHBondContact CB-OE2 3.27Å; T473-E476 PolarHBondContact N-OE2 3.25Å; T473-E476 PolarHBondContact O-N 3.4Å; T473-E476 VanDerWaalsContact OG1-CG 3.26Å; T473-E476 WeakPolarHBondContact OG1-CG 3.24Å; T473-E476 PolarHBondContact OG1-N 2.82Å; T473-E476 PolarHBondContact OG1-OE2 3.49Å; E476-D479 PolarHBondContact O-N 3.32Å; E476-N480 WeakPolarHBondContact O-CB 3.49Å; E476-N480 PolarHBondContact O-N 2.69Å; E476-N480 PolarHBondContact O-ND2 3.01Å
477V98.9Very high95.5Very high0 Ų059.5 Ų59.50%030%0.303CS..Hα-helixtrans-61.1-45.3176.41730000110.9Y60 E122 G123 V214 Y232 T473 F474 D475 N480 A481Y60-V477 HydrophobicContact CD2-CG1 3.7Å; Y60-V477 HydrophobicContact CE2-CG1 4.15Å; E122-V477 HydrophobicContact CB-CG2 3.74Å; G123-V477 WeakPolarHBondContact CA-O 3.35Å; V214-V477 HydrophobicContact CG1-CG1 4.04Å; V214-V477 HydrophobicContact CG2-CG1 3.87Å; Y232-V477 HydrophobicContact CD1-CG2 4.4Å; T473-V477 WeakPolarHBondContact O-CG2 3.5Å; T473-V477 PolarHBondContact O-N 3.09Å; T473-V477 VanDerWaalsContact O-N 3.14Å; F474-V477 PolarHBondContact O-N 2.62Å; D475-V477 VanDerWaalsContact C-N 3.3Å; D475-V477 PolarHBondContact O-N 3.28Å; V477-N480 PolarHBondContact O-N 2.81Å; V477-A481 WeakPolarHBondContact O-CB 3.43Å; V477-A481 PolarHBondContact O-N 2.86Å; V477-A481 VanDerWaalsContact O-N 3.1Å
478R98.8Very high94.9Very high38 Ų3853.8 Ų53.814%0.14328%0.279CS..Hα-helixtrans-62.8-44.3176.3-77.8177.9156.7168.2-3.6111.9L213 F216 P239 F474 D475 N480 A481 K482L213-R478 PolarHBondContact O-NE 2.91Å; L213-R478 PolarHBondContact O-NH2 2.93Å; F216-R478 PolarHBondContact O-NH2 3.34Å; P239-R478 PolarHBondContact O-NH1 2.84Å; P239-R478 VanDerWaalsContact O-NH1 3.15Å; P239-R478 PolarHBondContact O-NH2 3.26Å; F474-R478 HydrophobicContact CD1-CG 4.27Å; F474-R478 HydrophobicContact CE1-CG 4.14Å; F474-R478 WeakPolarHBondContact O-CG 3.45Å; F474-R478 PolarHBondContact O-N 2.72Å; D475-R478 PolarHBondContact O-N 3.25Å; R478-N480 VanDerWaalsContact C-N 3.33Å; R478-N480 PolarHBondContact O-N 2.6Å; R478-A481 PolarHBondContact O-N 3.26Å; R478-K482 PolarHBondContact O-N 3.48Å
479D98.5Very high94.3Very high101 Ų10158.5 Ų58.554%0.5430%0.3SS..Hα-helixtrans-63.9-38.7179.7-78.6-18.2000112.4D475 E476 A481 K482D475-D479 WeakPolarHBondContact O-CB 3.22Å; D475-D479 PolarHBondContact O-N 3.02Å; E476-D479 PolarHBondContact O-N 3.32Å; D479-A481 VanDerWaalsContact C-N 3.34Å; D479-K482 WeakPolarHBondContact O-CD 3.44Å; D479-K482 VanDerWaalsContact O-CG 3.27Å; D479-K482 WeakPolarHBondContact O-CG 3.4Å
480N98.3Very high93.7Very high66 Ų6661.2 Ų61.235%0.35331%0.308SS..Hα-helixtrans-67.5-35175.1-70.8-22.9000112.2E122 G123 E476 V477 R478E122-N480 PolarHBondContact O-ND2 2.88Å; G123-N480 CarbonylContact O-C 3.47Å; E476-N480 WeakPolarHBondContact O-CB 3.49Å; E476-N480 PolarHBondContact O-N 2.69Å; E476-N480 PolarHBondContact O-ND2 3.01Å; V477-N480 PolarHBondContact O-N 2.81Å; R478-N480 VanDerWaalsContact C-N 3.33Å; R478-N480 PolarHBondContact O-N 2.6Å
481A98.5Very high93.2Very high2 Ų259.9 Ų59.92%0.01730%0.304CS..Hα-helixtrans-88.9-8.3-174.700000114.5V58 G123 R167 V214 V477 R478 D479V58-A481 HydrophobicContact CG1-CB 4.07Å; G123-A481 VanDerWaalsContact O-CA 3.23Å; G123-A481 WeakPolarHBondContact O-CA 3.46Å; G123-A481 WeakPolarHBondContact O-CB 3.36Å; G123-A481 PolarHBondContact O-N 3.35Å; R167-A481 PolarHBondContact NE-O 3.03Å; R167-A481 PolarHBondContact NH2-O 3.3Å; V214-A481 HydrophobicContact CG1-CB 3.44Å; V214-A481 VanDerWaalsContact CG1-CB 3.44Å; V477-A481 WeakPolarHBondContact O-CB 3.43Å; V477-A481 PolarHBondContact O-N 2.86Å; V477-A481 VanDerWaalsContact O-N 3.1Å; R478-A481 PolarHBondContact O-N 3.26Å; D479-A481 VanDerWaalsContact C-N 3.34Å
482K96.4Very high92.3Very high123 Ų12359.6 Ų59.654%0.53530%0.302SS..SBendtrans-54.4150.8-176.973.9-170.8175.6178.80112.3R167 R478 D479 K484R167-K482 PolarHBondContact NH2-O 3Å; R478-K482 PolarHBondContact O-N 3.48Å; D479-K482 WeakPolarHBondContact O-CD 3.44Å; D479-K482 VanDerWaalsContact O-CG 3.27Å; D479-K482 WeakPolarHBondContact O-CG 3.4Å; K482-K484 PolarHBondContact O-N 3.41Å
483L95.1Very high90.9Very high24 Ų2469 Ų6913%0.12635%0.346CS..PPolyproline II helixtrans-66.4127.8168.4-60.7-176.5000107.6R167 K170 K171 A174 L488R167-L483 HydrophobicContact CG-CD2 4.16Å; K170-L483 HydrophobicContact CG-CD1 4.14Å; K171-L483 HydrophobicContact CD-CD2 4.48Å; K171-L483 HydrophobicContact CG-CD1 4.25Å; K171-L483 HydrophobicContact CG-CD2 3.59Å; A174-L483 HydrophobicContact CB-CD1 3.86Å; L483-L488 HydrophobicContact CB-CD2 4.46Å; L483-L488 HydrophobicContact CB-CG 4.46Å; L483-L488 HydrophobicContact CD1-CD2 4.11Å
484K90.7Very high90.6Very high113 Ų11369.6 Ų69.649%0.49135%0.346SS..PPolyproline II helixtrans-86.2154.7176.7-61.7-179.9179.9-177.20110.1K482 G486 E487 L488K482-K484 PolarHBondContact O-N 3.41Å; K484-G486 VanDerWaalsContact C-N 3.29Å; K484-G486 PolarHBondContact O-N 3.05Å; K484-E487 HydrophobicContact CB-CG 4.43Å; K484-E487 PolarHBondContact N-OE2 3.31Å; K484-E487 WeakPolarHBondContact O-CA 3.41Å; K484-E487 WeakPolarHBondContact O-CB 3.42Å; K484-E487 PolarHBondContact O-N 3.02Å; K484-L488 PolarHBondContact O-N 3.04Å; K484-L488 VanDerWaalsContact O-N 3.11Å
485D84.4Confident90.1Very high126 Ų12673.2 Ų73.267%0.67436%0.364SS*.Hα-helixtrans-55.4-43.9179.9-59.2-25.2000111.9E487 L488 E489D485-E487 VanDerWaalsContact C-N 3.29Å; D485-E487 PolarHBondContact O-N 3.32Å; D485-L488 WeakPolarHBondContact O-CA 3.41Å; D485-L488 WeakPolarHBondContact O-CB 3.27Å; D485-L488 PolarHBondContact O-N 3.01Å; D485-E489 WeakPolarHBondContact O-CG 3.16Å; D485-E489 PolarHBondContact O-N 2.96Å
486G83.6Confident89.6Confident36 Ų3674.8 Ų74.837%0.37137%0.371SS..Hα-helixtrans-61.7-31.217500000114.3K484 E490K484-G486 VanDerWaalsContact C-N 3.29Å; K484-G486 PolarHBondContact O-N 3.05Å; G486-E490 WeakPolarHBondContact O-CB 3.28Å; G486-E490 VanDerWaalsContact O-CG 3.32Å; G486-E490 WeakPolarHBondContact O-CG 3.43Å; G486-E490 PolarHBondContact O-N 3.42Å
487E85.2Confident89.1Confident18 Ų1874.1 Ų74.18%0.08437%0.369CS..Hα-helixtrans-72.5-31.6173-68.6176.3108.500111.6R167 K484 D485 L491R167-E487 IonicContact CZ-OE1 2.93Å; R167-E487 IonicContact CZ-OE2 3.3Å; R167-E487 IonicContact NH1-OE1 3.05Å; R167-E487 PolarHBondContact NH1-OE1 3.16Å; R167-E487 IonicContact NH1-OE2 2.68Å; R167-E487 VanDerWaalsContact NH2-CD 3.29Å; R167-E487 IonicContact NH2-OE1 3.98Å; R167-E487 PolarHBondContact NH2-OE1 3.19Å; R167-E487 IonicContact NH2-OE2 3.12Å; R167-E487 PolarHBondContact NH2-OE2 3.33Å; K484-E487 HydrophobicContact CB-CG 4.43Å; K484-E487 PolarHBondContact N-OE2 3.31Å; K484-E487 WeakPolarHBondContact O-CA 3.41Å; K484-E487 WeakPolarHBondContact O-CB 3.42Å; K484-E487 PolarHBondContact O-N 3.02Å; D485-E487 VanDerWaalsContact C-N 3.29Å; D485-E487 PolarHBondContact O-N 3.32Å; E487-L491 WeakPolarHBondContact O-CD1 3.44Å; E487-L491 WeakPolarHBondContact O-CG 3.23Å; E487-L491 PolarHBondContact O-N 3.36Å
488L83.6Confident88.5Confident27 Ų2778.8 Ų78.814%0.14139%0.392CS..Hα-helixtrans-71.6-40.6175.6-68.8168.9000111A174 L184 L483 K484 D485 L491 L492A174-L488 HydrophobicContact CB-CD2 3.82Å; L184-L488 HydrophobicContact CD1-CD1 3.8Å; L184-L488 HydrophobicContact CD1-CD2 4.15Å; L483-L488 HydrophobicContact CB-CD2 4.46Å; L483-L488 HydrophobicContact CB-CG 4.46Å; L483-L488 HydrophobicContact CD1-CD2 4.11Å; K484-L488 PolarHBondContact O-N 3.04Å; K484-L488 VanDerWaalsContact O-N 3.11Å; D485-L488 WeakPolarHBondContact O-CA 3.41Å; D485-L488 WeakPolarHBondContact O-CB 3.27Å; D485-L488 PolarHBondContact O-N 3.01Å; L488-L491 PolarHBondContact O-N 3.13Å; L488-L492 WeakPolarHBondContact O-CG 3.44Å; L488-L492 PolarHBondContact O-N 3.37Å
489E84.6Confident87.8Confident121 Ų12181.5 Ų81.557%0.56541%0.408SS*.Hα-helixtrans-60.2-47.8173.8-70.2173.1-178.100111.3D485 L491 L492 H493D485-E489 WeakPolarHBondContact O-CG 3.16Å; D485-E489 PolarHBondContact O-N 2.96Å; E489-L491 PolarHBondContact O-N 2.8Å; E489-L492 PolarHBondContact O-N 3.22Å; E489-H493 PolarHBondContact O-CD2 3.28Å; E489-H493 PolarHBondContact O-N 3.01Å
490E85Confident87Confident139 Ų13980.1 Ų80.165%0.6540%0.399SS*.Hα-helixtrans-59.2-27.9175.5-77.9175.6-173.700113.7G486G486-E490 WeakPolarHBondContact O-CB 3.28Å; G486-E490 VanDerWaalsContact O-CG 3.32Å; G486-E490 WeakPolarHBondContact O-CG 3.43Å; G486-E490 PolarHBondContact O-N 3.42Å
491L84.5Confident86.2Confident45 Ų4581.2 Ų81.224%0.23640%0.403CS..Hα-helixtrans-80.1-26.3179.6-74.4166.3000113.2K171 K175 E487 L488 E489K171-L491 HydrophobicContact CB-CD1 3.74Å; K171-L491 HydrophobicContact CB-CD2 4.35Å; K171-L491 HydrophobicContact CD-CD1 4.35Å; K171-L491 HydrophobicContact CG-CD1 3.98Å; K175-L491 HydrophobicContact CB-CB 4.35Å; K175-L491 VanDerWaalsContact CD-O 3.25Å; K175-L491 WeakPolarHBondContact CD-O 3.38Å; K175-L491 WeakPolarHBondContact CE-O 3.32Å; K175-L491 PolarHBondContact NZ-O 3.29Å; E487-L491 WeakPolarHBondContact O-CD1 3.44Å; E487-L491 WeakPolarHBondContact O-CG 3.23Å; E487-L491 PolarHBondContact O-N 3.36Å; L488-L491 PolarHBondContact O-N 3.13Å; E489-L491 PolarHBondContact O-N 2.8Å
492L78.9Confident85.2Confident71 Ų7187.8 Ų87.837%0.37244%0.435SS..Hα-helixtrans-90.8-17.6-176.3-66.2169.4000113.1K175 M178 E179 L488 E489K175-L492 HydrophobicContact CG-CD2 4.5Å; M178-L492 HydrophobicContact CB-CD2 4.16Å; M178-L492 HydrophobicContact CG-CD1 3.91Å; M178-L492 HydrophobicContact CG-CD2 4.08Å; E179-L492 HydrophobicContact CG-CD2 3.82Å; L488-L492 WeakPolarHBondContact O-CG 3.44Å; L488-L492 PolarHBondContact O-N 3.37Å; E489-L492 PolarHBondContact O-N 3.22Å
493H69.9Low84.1Confident210 Ų21084.5 Ų84.597%0.97243%0.426SS*.  trans-96.40171.9-67.5-57.4000111.2E489E489-H493 PolarHBondContact O-CD2 3.28Å; E489-H493 PolarHBondContact O-N 3.01Å

Retrieved 493 of 493 residues in 344.2 ms (Link to these results)

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