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Alcohol dehydrogenase 6

Alcohol dehydrogenase. Catalyzes the NAD-dependent oxidation of primary alcohols to the corresponding aldehydes. Oxidizes secondary alcohols to the corresponding ketones.

AlphaFold DB , UniProt , Accession A0A096MWH5, Species PAPAN (Papio anubis, Olive baboon), Gene ADH6, Length 374 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
1M54.2Low92.4Very high231 Ų23189 Ų89100%1.13847%0.471SS*.  0135.50-70.4174.3-177.100107.4T3M1-T3 PolarHBondContact O-N 3.34Å
2N84.2Confident92.9Very high123 Ų12381.6 Ų81.666%0.65843%0.432SS*.  trans-79.9106.7179.4-175.85.2000109.1T4N2-T4 WeakPolarHBondContact OD1-CB 3.41Å; N2-T4 PolarHBondContact OD1-N 2.76Å; N2-T4 PolarHBondContact OD1-OG1 3.19Å
3T94.8Very high93.4Very high43 Ų4375.3 Ų75.326%0.26440%0.399SS..  trans-90.7-0.1-179.141.90000113.3M1 G5 Q6 I8 R38 E76M1-T3 PolarHBondContact O-N 3.34Å; T3-G5 PolarHBondContact O-N 2.88Å; T3-Q6 PolarHBondContact O-N 3Å; T3-Q6 VanDerWaalsContact O-N 3.12Å; T3-I8 HydrophobicContact CG2-CD1 4.32Å; T3-I8 HydrophobicContact CG2-CG1 4.19Å; T3-R38 PolarHBondContact O-NH2 2.88Å; T3-E76 VanDerWaalsContact CB-OE1 3.27Å; T3-E76 WeakPolarHBondContact CB-OE1 3.44Å; T3-E76 PolarHBondContact OG1-OE1 3.31Å
4T95.3Very high93.7Very high75 Ų7569.9 Ų69.946%0.4637%0.37SS..THydrogen-bonded Turntrans-58.3129.4179.7-53.30000111N2 Q6 E76N2-T4 WeakPolarHBondContact OD1-CB 3.41Å; N2-T4 PolarHBondContact OD1-N 2.76Å; N2-T4 PolarHBondContact OD1-OG1 3.19Å; T4-Q6 PolarHBondContact O-N 3.23Å; T4-E76 PolarHBondContact N-OE1 2.77Å
5G96.4Very high93.9Very high57 Ų5765.3 Ų65.359%0.58835%0.346SS*.THydrogen-bonded Turntrans74-0.2179.500000115.1T3T3-G5 PolarHBondContact O-N 2.88Å
6Q98.1Very high94.1Very high119 Ų11965.8 Ų65.856%0.55634%0.341SS*.SBendtrans-105.8155.2179.7-58.9-176.61.400111.2T3 T4 R38T3-Q6 PolarHBondContact O-N 3Å; T3-Q6 VanDerWaalsContact O-N 3.12Å; T4-Q6 PolarHBondContact O-N 3.23Å; Q6-R38 PolarHBondContact O-NH1 3.5Å; Q6-R38 PolarHBondContact O-NH2 2.73Å
7V98.6Very high94Very high84 Ų8470 Ų7051%0.50936%0.357SS..PPolyproline II helixtrans-67.5134.6167176.10000108.8E28 V29V7-E28 HydrophobicContact CG1-CB 3.76Å; V7-E28 HydrophobicContact CG1-CG 4.17Å; V7-V29 WeakPolarHBondContact CA-O 3.41Å
8I98.8Very high93.8Very high13 Ų1369.6 Ų69.67%0.06736%0.359CS..EExtended strand (participates in β ladder)trans-101.5133.3172.7-69.1177000108.7T3 C10 E28 V29 R38 E76 Y150T3-I8 HydrophobicContact CG2-CD1 4.32Å; T3-I8 HydrophobicContact CG2-CG1 4.19Å; I8-C10 HydrophobicContact CG2-CB 4.03Å; I8-E28 CarbonylContact O-C 3.6Å; I8-E28 WeakPolarHBondContact O-CA 3.4Å; I8-V29 PolarHBondContact N-O 2.92Å; I8-V29 PolarHBondContact O-N 2.83Å; I8-R38 VanDerWaalsContact CD1-CZ 3.43Å; I8-E76 HydrophobicContact CD1-CG 4.47Å; I8-Y150 HydrophobicContact CD1-CD1 3.78Å; I8-Y150 HydrophobicContact CD1-CD2 4.5Å; I8-Y150 HydrophobicContact CD1-CE1 3.81Å; I8-Y150 HydrophobicContact CD1-CG 4.14Å; I8-Y150 HydrophobicContact CG2-CD2 3.7Å; I8-Y150 HydrophobicContact CG2-CE2 3.94Å; I8-Y150 HydrophobicContact CG2-CG 4.14Å
9R98.6Very high93.5Very high158 Ų15868.9 Ų68.960%0.59637%0.372SS*.EExtended strand (participates in β ladder)trans-95.6124165.1-74.6177176.3-163.80.3108.9E26 V27 E28R9-E26 HydrophobicContact CB-CG 4.06Å; R9-E26 WeakPolarHBondContact CD-OE1 3.27Å; R9-E26 IonicContact NH1-OE1 2.73Å; R9-V27 WeakPolarHBondContact CA-O 3.44Å; R9-E28 HydrophobicContact CG-CG 3.98Å; R9-E28 IonicContact CZ-OE1 3.22Å; R9-E28 IonicContact NE-OE1 3.41Å; R9-E28 PolarHBondContact NE-OE1 3.42Å; R9-E28 IonicContact NH2-OE1 3.4Å; R9-E28 PolarHBondContact NH2-OE1 2.86Å
10C98.6Very high93.4Very high8 Ų866.4 Ų66.45%0.05436%0.36CS..EExtended strand (participates in β ladder)trans-152.6167.8-177.970.80000111.7I8 E26 V27 V29 E149 Y150I8-C10 HydrophobicContact CG2-CB 4.03Å; C10-E26 CarbonylContact O-C 3.54Å; C10-E26 WeakPolarHBondContact O-CA 3.46Å; C10-V27 PolarHBondContact N-O 3.49Å; C10-V27 WeakPolarHBondContact O-CG2 3.19Å; C10-V27 PolarHBondContact O-N 3.23Å; C10-V29 VanDerWaalsContact SG-CG2 3.58Å; C10-E149 HydrophobicContact CB-CB 3.9Å; C10-E149 WeakPolarHBondContact CB-OE2 3.44Å; C10-Y150 HydrophobicContact CB-CD2 3.77Å; C10-Y150 HydrophobicContact CB-CE2 4.34Å
11K98.6Very high93.5Very high68 Ų6867.7 Ų67.730%0.29637%0.372SS..EExtended strand (participates in β ladder)trans-76.5139.1178.2-170.8-175-63.8-177.10111.3I24 E25 E149 L352 D353K11-I24 HydrophobicContact CD-CG2 3.64Å; K11-I24 HydrophobicContact CG-CG2 3.59Å; K11-E25 WeakPolarHBondContact CA-O 3.42Å; K11-E149 HydrophobicContact CB-CG 4.17Å; K11-E149 VanDerWaalsContact CB-OE2 3.29Å; K11-E149 WeakPolarHBondContact CB-OE2 3.36Å; K11-E149 PolarHBondContact N-OE2 3.06Å; K11-E149 PolarHBondContact O-N 2.98Å; K11-L352 HydrophobicContact CD-CD2 4.39Å; K11-L352 HydrophobicContact CG-CD2 4.3Å; K11-D353 WeakPolarHBondContact CD-OD1 3.28Å; K11-D353 WeakPolarHBondContact CE-OD1 3.4Å; K11-D353 IonicContact NZ-OD1 3.31Å; K11-D353 PolarHBondContact NZ-OD1 3.38Å; K11-D353 IonicContact NZ-OD2 2.94Å; K11-D353 PolarHBondContact NZ-OD2 3.01Å
12A98.8Very high95.6Very high0 Ų057.1 Ų57.10%032%0.32CS..EExtended strand (participates in β ladder)trans-143159.1169.300000111.8I24 E25 V27 I66 F147A12-I24 WeakPolarHBondContact O-CA 3.34Å; A12-E25 PolarHBondContact N-O 2.71Å; A12-E25 PolarHBondContact O-N 3.49Å; A12-V27 HydrophobicContact CB-CB 4.44Å; A12-V27 HydrophobicContact CB-CG1 3.88Å; A12-V27 HydrophobicContact CB-CG2 3.65Å; A12-I66 HydrophobicContact CB-CD1 3.76Å; A12-I66 HydrophobicContact CB-CG1 4.21Å; A12-F147 CarbonylContact C-O 3.57Å; A12-F147 WeakPolarHBondContact CA-O 3.27Å
13A98.7Very high96.3Very high0 Ų053.1 Ų53.10%030%0.302CS..EExtended strand (participates in β ladder)trans-99.7104.9170.800000109.7F22 S23 I24 F147 L352 I355A13-F22 HydrophobicContact CB-CB 4.08Å; A13-F22 HydrophobicContact CB-CD1 4.22Å; A13-F22 HydrophobicContact CB-CG 4.29Å; A13-S23 CarbonylContact C-O 3.55Å; A13-S23 WeakPolarHBondContact CA-O 3.22Å; A13-I24 HydrophobicContact CB-CD1 3.68Å; A13-F147 HydrophobicContact CB-CB 4.08Å; A13-F147 PolarHBondContact N-O 3.34Å; A13-L352 HydrophobicContact CB-CD1 4.09Å; A13-I355 HydrophobicContact CB-CD1 3.92Å; A13-I355 HydrophobicContact CB-CG2 4.12Å
14I98.4Very high96.4Very high0 Ų053.6 Ų53.60%030%0.302CS..EExtended strand (participates in β ladder)trans-95.4131-176.5-52.3175.9000109.8W16 S23 E25 V27 P64 I66 C133 I138I14-W16 HydrophobicContact CD1-CZ2 4.11Å; I14-W16 HydrophobicContact CG2-CD2 4.13Å; I14-W16 HydrophobicContact CG2-CG 4.27Å; I14-W16 HydrophobicContact CG2-CZ2 4.39Å; I14-S23 PolarHBondContact N-O 3.44Å; I14-S23 PolarHBondContact O-N 2.82Å; I14-E25 HydrophobicContact CD1-CB 4.07Å; I14-V27 HydrophobicContact CD1-CG1 3.63Å; I14-V27 HydrophobicContact CG1-CG1 4.17Å; I14-P64 HydrophobicContact CG2-CB 4.08Å; I14-I66 HydrophobicContact CG1-CG1 4.19Å; I14-C133 HydrophobicContact CD1-CB 3.76Å; I14-C133 VanDerWaalsContact CD1-SG 3.58Å; I14-I138 HydrophobicContact CD1-CD1 4.5Å; I14-I138 HydrophobicContact CD1-CG1 4.5Å; I14-I138 HydrophobicContact CG2-CD1 4.44Å; I14-I138 HydrophobicContact CG2-CG2 4.16Å
15L96.9Very high96.6Very high0 Ų052.2 Ų52.20%029%0.29CS..EExtended strand (participates in β ladder)trans-95.2101.2166-172.362.8000109.1A20 F22 I53 L54 Y63 P64 T65 L67L15-A20 HydrophobicContact CD1-CB 4.42Å; L15-A20 WeakPolarHBondContact CD1-O 3.08Å; L15-F22 HydrophobicContact CB-CD1 4.09Å; L15-F22 HydrophobicContact CB-CE1 4.03Å; L15-I53 HydrophobicContact CD2-CG2 4.43Å; L15-L54 HydrophobicContact CD1-CD2 3.89Å; L15-L54 HydrophobicContact CD2-CD2 3.93Å; L15-Y63 HydrophobicContact CD2-CD1 4.49Å; L15-Y63 HydrophobicContact CD2-CE1 3.62Å; L15-Y63 HydrophobicContact CG-CD1 4.25Å; L15-Y63 HydrophobicContact CG-CE1 3.8Å; L15-P64 WeakPolarHBondContact O-CA 3.24Å; L15-T65 HydrophobicContact CB-CG2 4.22Å; L15-T65 PolarHBondContact N-O 2.94Å; L15-T65 PolarHBondContact O-N 2.99Å; L15-L67 HydrophobicContact CD2-CD1 3.84Å; L15-L67 HydrophobicContact CD2-CG 4.4Å
16W96Very high96.7Very high73 Ų7355.1 Ų55.128%0.27729%0.289SS..  trans-72.3-32.9-174.2-78.6101.4000114.5I14 E25 P64 C133 K136 I138I14-W16 HydrophobicContact CD1-CZ2 4.11Å; I14-W16 HydrophobicContact CG2-CD2 4.13Å; I14-W16 HydrophobicContact CG2-CG 4.27Å; I14-W16 HydrophobicContact CG2-CZ2 4.39Å; W16-E25 PolarHBondContact NE1-OE1 2.54Å; W16-P64 HydrophobicContact CD2-CB 4.13Å; W16-P64 HydrophobicContact CE3-CB 3.5Å; W16-P64 HydrophobicContact CE3-CG 3.91Å; W16-P64 HydrophobicContact CZ3-CB 3.86Å; W16-P64 HydrophobicContact CZ3-CG 3.79Å; W16-C133 HydrophobicContact CH2-CB 4.35Å; W16-C133 HydrophobicContact CZ2-CB 4.47Å; W16-K136 HydrophobicContact CH2-CD 4.48Å; W16-K136 HydrophobicContact CZ3-CD 4.12Å; W16-I138 HydrophobicContact CH2-CD1 3.99Å; W16-I138 HydrophobicContact CZ3-CD1 4.16Å
17K92.9Very high96.7Very high138 Ų13849.5 Ų49.560%0.626%0.263SS*.SBendtrans-156.4158.8-177.763.8-177.8-179.6-178.80110.3G19 A20K17-G19 PolarHBondContact O-N 2.82Å; K17-A20 HydrophobicContact CG-CB 3.73Å; K17-A20 WeakPolarHBondContact O-CB 3.12Å; K17-A20 PolarHBondContact O-N 3.29Å
18P90.5Very high96.7Very high62 Ų6248.7 Ų48.740%0.40325%0.253SS..THydrogen-bonded Turntrans-52.6135.5176.1-23.930.2000112.6A20 Y63P18-A20 PolarHBondContact O-N 2.84Å; P18-Y63 HydrophobicContact CG-CD2 4.03Å; P18-Y63 HydrophobicContact CG-CE1 4.17Å; P18-Y63 HydrophobicContact CG-CE2 3.57Å
19G87.6Confident96.7Very high58 Ų5848.1 Ų48.160%0.59825%0.25SS*.THydrogen-bonded Turntrans71.51176.200000116.1K17K17-G19 PolarHBondContact O-N 2.82Å
20A92.1Very high96.8Very high17 Ų1742 Ų4214%0.1423%0.234CC..PPolyproline II helixtrans-76.1153.9170.900000111.3L15 K17 P18L15-A20 HydrophobicContact CD1-CB 4.42Å; L15-A20 WeakPolarHBondContact CD1-O 3.08Å; K17-A20 HydrophobicContact CG-CB 3.73Å; K17-A20 WeakPolarHBondContact O-CB 3.12Å; K17-A20 PolarHBondContact O-N 3.29Å; P18-A20 PolarHBondContact O-N 2.84Å
21P95.4Very high96.8Very high95 Ų9543.5 Ų43.562%0.61724%0.243SC*.PPolyproline II helixtrans-64.3161.1163.830-34.8000110.4
22F98Very high96.7Very high8 Ų841.1 Ų41.14%0.03524%0.235CC..PPolyproline II helixtrans-68137.3171.5-67.4-76.1000110.5A13 L15 L54 L67 F147 I355 N356 V359A13-F22 HydrophobicContact CB-CB 4.08Å; A13-F22 HydrophobicContact CB-CD1 4.22Å; A13-F22 HydrophobicContact CB-CG 4.29Å; L15-F22 HydrophobicContact CB-CD1 4.09Å; L15-F22 HydrophobicContact CB-CE1 4.03Å; F22-L54 HydrophobicContact CE2-CD1 3.85Å; F22-L54 HydrophobicContact CE2-CD2 4.2Å; F22-L54 HydrophobicContact CZ-CD1 4.22Å; F22-L54 HydrophobicContact CZ-CD2 4.11Å; F22-L67 HydrophobicContact CE1-CB 4.15Å; F22-L67 HydrophobicContact CE1-CD1 3.87Å; F22-L67 HydrophobicContact CE1-CG 3.99Å; F22-L67 HydrophobicContact CZ-CB 4.41Å; F22-L67 HydrophobicContact CZ-CD1 3.85Å; F22-L67 HydrophobicContact CZ-CG 4.39Å; F22-F147 HydrophobicContact CE1-CD2 4.06Å; F22-F147 HydrophobicContact CE1-CE2 4.32Å; F22-F147 HydrophobicContact CE2-CE2 4.41Å; F22-F147 HydrophobicContact CZ-CD2 4.03Å; F22-F147 AromaticContact CZ-CE2 3.83Å; F22-F147 HydrophobicContact CZ-CE2 3.83Å; F22-I355 HydrophobicContact CB-CG2 3.86Å; F22-I355 HydrophobicContact CD2-CD1 3.74Å; F22-I355 HydrophobicContact CD2-CG1 3.84Å; F22-I355 HydrophobicContact CD2-CG2 4.12Å; F22-I355 HydrophobicContact CE2-CD1 3.79Å; F22-I355 HydrophobicContact CE2-CG1 4.06Å; F22-I355 HydrophobicContact CG-CD1 4.1Å; F22-I355 HydrophobicContact CG-CG2 4.26Å; F22-I355 HydrophobicContact CZ-CD1 4.22Å; F22-N356 PolarHBondContact N-OD1 2.84Å; F22-N356 PolarHBondContact O-ND2 2.92Å; F22-V359 HydrophobicContact CD2-CG2 4.2Å; F22-V359 HydrophobicContact CE2-CG2 3.84Å
23S98.4Very high96.7Very high40 Ų4046.2 Ų46.228%0.2826%0.257SS..EExtended strand (participates in β ladder)trans-97.1124.9171.1-169.90000109.4A13 I14 E25A13-S23 CarbonylContact C-O 3.55Å; A13-S23 WeakPolarHBondContact CA-O 3.22Å; I14-S23 PolarHBondContact N-O 3.44Å; I14-S23 PolarHBondContact O-N 2.82Å; S23-E25 WeakPolarHBondContact CB-OE1 3.37Å; S23-E25 PolarHBondContact OG-OE1 2.93Å
24I98.6Very high96.7Very high53 Ų5349 Ų4927%0.27228%0.28SS..EExtended strand (participates in β ladder)trans-87.8110.1175.5-57.6-60.7000108.1K11 A12 A13 L352 I355K11-I24 HydrophobicContact CD-CG2 3.64Å; K11-I24 HydrophobicContact CG-CG2 3.59Å; A12-I24 WeakPolarHBondContact O-CA 3.34Å; A13-I24 HydrophobicContact CB-CD1 3.68Å; I24-L352 HydrophobicContact CD1-CG 4.38Å; I24-L352 WeakPolarHBondContact CD1-O 3.31Å; I24-I355 HydrophobicContact CD1-CG2 3.82Å
25E98.4Very high96.6Very high45 Ų4554.3 Ų54.321%0.2130%0.303CS..EExtended strand (participates in β ladder)trans-137.4159.3-173.6-76.5175.6-99.800111.7K11 A12 I14 W16 S23 N134K11-E25 WeakPolarHBondContact CA-O 3.42Å; A12-E25 PolarHBondContact N-O 2.71Å; A12-E25 PolarHBondContact O-N 3.49Å; I14-E25 HydrophobicContact CD1-CB 4.07Å; W16-E25 PolarHBondContact NE1-OE1 2.54Å; S23-E25 WeakPolarHBondContact CB-OE1 3.37Å; S23-E25 PolarHBondContact OG-OE1 2.93Å; E25-N134 PolarHBondContact OE2-ND2 2.69Å
26E98.7Very high96.7Very high119 Ų11954.6 Ų54.656%0.55630%0.304SS*.EExtended strand (participates in β ladder)trans-76.8129.2167.1-175.1179.596.100109.6R9 C10 C133R9-E26 HydrophobicContact CB-CG 4.06Å; R9-E26 WeakPolarHBondContact CD-OE1 3.27Å; R9-E26 IonicContact NH1-OE1 2.73Å; C10-E26 CarbonylContact O-C 3.54Å; C10-E26 WeakPolarHBondContact O-CA 3.46Å; E26-C133 PolarHBondContact O-SG 3.4Å; E26-C133 VanDerWaalsContact O-SG 3.4Å
27V98.8Very high96.8Very high1 Ų151.1 Ų51.11%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-120.2152.4176-60.30000110.8R9 C10 A12 I14 V29 I66 F131 T132 C133R9-V27 WeakPolarHBondContact CA-O 3.44Å; C10-V27 PolarHBondContact N-O 3.49Å; C10-V27 WeakPolarHBondContact O-CG2 3.19Å; C10-V27 PolarHBondContact O-N 3.23Å; A12-V27 HydrophobicContact CB-CB 4.44Å; A12-V27 HydrophobicContact CB-CG1 3.88Å; A12-V27 HydrophobicContact CB-CG2 3.65Å; I14-V27 HydrophobicContact CD1-CG1 3.63Å; I14-V27 HydrophobicContact CG1-CG1 4.17Å; V27-V29 HydrophobicContact CG2-CG2 4.06Å; V27-I66 HydrophobicContact CG1-CD1 4.41Å; V27-F131 HydrophobicContact CG2-CD1 4.47Å; V27-T132 WeakPolarHBondContact CA-O 3.43Å; V27-C133 HydrophobicContact CG1-CB 4.08Å
28E98.8Very high97.1Very high67 Ų6744.5 Ų44.531%0.31326%0.262SS..EExtended strand (participates in β ladder)trans-94.4118.6170.5-68.2179.4164.800109.3V7 I8 R9 F131 T132V7-E28 HydrophobicContact CG1-CB 3.76Å; V7-E28 HydrophobicContact CG1-CG 4.17Å; I8-E28 CarbonylContact O-C 3.6Å; I8-E28 WeakPolarHBondContact O-CA 3.4Å; R9-E28 HydrophobicContact CG-CG 3.98Å; R9-E28 IonicContact CZ-OE1 3.22Å; R9-E28 IonicContact NE-OE1 3.41Å; R9-E28 PolarHBondContact NE-OE1 3.42Å; R9-E28 IonicContact NH2-OE1 3.4Å; R9-E28 PolarHBondContact NH2-OE1 2.86Å; E28-F131 WeakPolarHBondContact O-CA 3.34Å; E28-T132 PolarHBondContact N-O 3.09Å; E28-T132 PolarHBondContact O-N 3.23Å
29V98.8Very high97.5Very high0 Ų041.6 Ų41.60%024%0.243CC..EExtended strand (participates in β ladder)trans-104.9109.8177.6-169.60000109.2V7 I8 C10 V27 R38 R130 F131 V152V7-V29 WeakPolarHBondContact CA-O 3.41Å; I8-V29 PolarHBondContact N-O 2.92Å; I8-V29 PolarHBondContact O-N 2.83Å; C10-V29 VanDerWaalsContact SG-CG2 3.58Å; V27-V29 HydrophobicContact CG2-CG2 4.06Å; V29-R38 PolarHBondContact O-NH1 3.38Å; V29-R130 WeakPolarHBondContact CA-O 3.2Å; V29-F131 HydrophobicContact CG1-CD1 4.39Å; V29-F131 HydrophobicContact CG1-CE1 4.07Å; V29-F131 HydrophobicContact CG2-CD1 3.87Å; V29-F131 HydrophobicContact CG2-CE1 3.79Å; V29-V152 HydrophobicContact CG1-CG2 3.78Å
30A98.8Very high98.1Very high30 Ų3043.4 Ų43.425%0.24824%0.235CC..PPolyproline II helixtrans-60.5154.9177.700000111.9R38 R130 V152A30-R38 PolarHBondContact O-NH1 3.12Å; A30-R130 HydrophobicContact CB-CB 4.4Å; A30-R130 PolarHBondContact N-O 3.35Å; A30-V152 WeakPolarHBondContact O-CG2 3.35Å
31P98.6Very high98.4Very high39 Ų3942.7 Ų42.725%0.25323%0.228SC..PPolyproline II helixtrans-63.9155170.428.7-35.5000111.6
32P98.5Very high98.6Very high19 Ų1940.2 Ų40.212%0.12321%0.212CC..PPolyproline II helixtrans-67.9136.5177.628.2-31.9000111.2E36 R38 S77 V152P32-E36 HydrophobicContact CB-CB 3.78Å; P32-E36 WeakPolarHBondContact CB-O 3.38Å; P32-R38 HydrophobicContact CB-CB 4.49Å; P32-R38 HydrophobicContact CG-CB 4.09Å; P32-S77 WeakPolarHBondContact CD-OG 3.37Å; P32-V152 HydrophobicContact CB-CG1 4.09Å
33K98.4Very high98.6Very high106 Ų10639.8 Ų39.846%0.46121%0.21SC..  trans-86.8-174.9168.5-61.1-166.8-166.9170.10111K35 E36 G79 D126K33-K35 PolarHBondContact O-N 2.89Å; K33-E36 PolarHBondContact N-OE2 2.72Å; K33-E36 VanDerWaalsContact O-CB 3.3Å; K33-E36 WeakPolarHBondContact O-CB 3.22Å; K33-E36 PolarHBondContact O-N 2.86Å; K33-G79 VanDerWaalsContact O-CA 3.31Å; K33-G79 WeakPolarHBondContact O-CA 3.3Å; K33-D126 WeakPolarHBondContact CD-OD2 3.38Å; K33-D126 WeakPolarHBondContact CE-OD2 3.46Å; K33-D126 IonicContact NZ-OD2 2.71Å; K33-D126 PolarHBondContact NZ-OD2 3.19Å
34A98.1Very high98.6Very high58 Ų5837.9 Ų37.948%0.47920%0.197SC..THydrogen-bonded Turntrans-48.9133.8177.100000112.3E36 E80A34-E36 PolarHBondContact O-N 3.24Å; A34-E80 CarbonylContact C-O 3.49Å; A34-E80 VanDerWaalsContact CA-O 3.24Å; A34-E80 WeakPolarHBondContact CA-O 3.48Å; A34-E80 HydrophobicContact CB-CB 4.13Å
35K97.2Very high98.6Very high112 Ų11235.4 Ų35.449%0.48718%0.184SC..THydrogen-bonded Turntrans60.221.7-177.6-56.2-63-168.7169.30115.2K33 E80 G81 E155K33-K35 PolarHBondContact O-N 2.89Å; K35-E80 PolarHBondContact N-O 2.77Å; K35-G81 WeakPolarHBondContact CE-O 3.35Å; K35-G81 PolarHBondContact NZ-O 2.75Å; K35-E155 IonicContact NZ-OE2 3.87Å; K35-E155 WeakPolarHBondContact O-CB 3.22Å; K35-E155 PolarHBondContact O-N 3.22Å
36E98.6Very high98.5Very high6 Ų633.2 Ų33.23%0.02817%0.174CC..EExtended strand (participates in β ladder)trans-114.8153.7175.1-57.8175.6170.400111.7P32 K33 A34 G79 V82 M124 R130 V152 I153P32-E36 HydrophobicContact CB-CB 3.78Å; P32-E36 WeakPolarHBondContact CB-O 3.38Å; K33-E36 PolarHBondContact N-OE2 2.72Å; K33-E36 VanDerWaalsContact O-CB 3.3Å; K33-E36 WeakPolarHBondContact O-CB 3.22Å; K33-E36 PolarHBondContact O-N 2.86Å; A34-E36 PolarHBondContact O-N 3.24Å; E36-G79 PolarHBondContact O-N 2.73Å; E36-V82 WeakPolarHBondContact O-CG2 3.31Å; E36-M124 HydrophobicContact CB-CE 4.37Å; E36-M124 VanDerWaalsContact CD-CE 3.45Å; E36-M124 HydrophobicContact CG-CE 3.61Å; E36-M124 WeakPolarHBondContact OE1-CB 3.48Å; E36-M124 VanDerWaalsContact OE1-CE 3.3Å; E36-M124 WeakPolarHBondContact OE1-CE 3.39Å; E36-R130 VanDerWaalsContact CD-NH2 3.28Å; E36-R130 IonicContact OE1-CZ 3.23Å; E36-R130 IonicContact OE1-NE 3.84Å; E36-R130 IonicContact OE1-NH2 3.8Å; E36-R130 PolarHBondContact OE1-NH2 3.07Å; E36-R130 IonicContact OE2-CZ 3.36Å; E36-R130 VanDerWaalsContact OE2-CZ 3.31Å; E36-R130 IonicContact OE2-NE 2.65Å; E36-R130 PolarHBondContact OE2-NE 2.8Å; E36-R130 IonicContact OE2-NH2 3.39Å; E36-R130 PolarHBondContact OE2-NH2 3.45Å; E36-R130 VanDerWaalsContact OE2-NH2 3.1Å; E36-V152 HydrophobicContact CB-CG1 3.89Å; E36-I153 CarbonylContact C-O 3.56Å; E36-I153 WeakPolarHBondContact CA-O 3.43Å
37V98.8Very high98.4Very high0 Ų027.7 Ų27.70%015%0.148CC..EExtended strand (participates in β ladder)trans-129.1128.6-178.3-177.50000107.9I39 V75 I78 V82 V85 V152 I153 E155 V158V37-I39 HydrophobicContact CG1-CG1 3.95Å; V37-V75 HydrophobicContact CG1-CB 4.5Å; V37-V75 HydrophobicContact CG1-CG1 3.83Å; V37-V75 HydrophobicContact CG1-CG2 4.02Å; V37-I78 HydrophobicContact CG1-CG2 4.35Å; V37-V82 HydrophobicContact CG2-CG1 4.04Å; V37-V82 HydrophobicContact CG2-CG2 4.16Å; V37-V85 HydrophobicContact CG1-CG2 4.04Å; V37-V85 HydrophobicContact CG2-CG2 3.78Å; V37-V152 WeakPolarHBondContact O-CA 3.32Å; V37-I153 PolarHBondContact N-O 2.71Å; V37-I153 PolarHBondContact O-N 3.21Å; V37-E155 HydrophobicContact CG2-CB 4.38Å; V37-V158 HydrophobicContact CB-CG2 4.14Å; V37-V158 HydrophobicContact CG1-CG2 4.47Å; V37-V158 HydrophobicContact CG2-CG2 4.25Å
38R98.9Very high98Very high0 Ų029.1 Ų29.10%016%0.163CC..EExtended strand (participates in β ladder)trans-96127.5170-167.8162.563-175.21.6109.9T3 Q6 I8 V29 A30 P32 E76 S77 T151 V152T3-R38 PolarHBondContact O-NH2 2.88Å; Q6-R38 PolarHBondContact O-NH1 3.5Å; Q6-R38 PolarHBondContact O-NH2 2.73Å; I8-R38 VanDerWaalsContact CD1-CZ 3.43Å; V29-R38 PolarHBondContact O-NH1 3.38Å; A30-R38 PolarHBondContact O-NH1 3.12Å; P32-R38 HydrophobicContact CB-CB 4.49Å; P32-R38 HydrophobicContact CG-CB 4.09Å; R38-E76 IonicContact CZ-OE2 2.91Å; R38-E76 VanDerWaalsContact CZ-OE2 3.23Å; R38-E76 IonicContact NE-OE2 2.73Å; R38-E76 PolarHBondContact NE-OE2 3.14Å; R38-E76 VanDerWaalsContact NH2-CD 3.32Å; R38-E76 IonicContact NH2-OE1 3.07Å; R38-E76 PolarHBondContact NH2-OE1 2.97Å; R38-E76 IonicContact NH2-OE2 2.74Å; R38-E76 PolarHBondContact NH2-OE2 2.86Å; R38-E76 PolarHBondContact O-N 3.13Å; R38-S77 PolarHBondContact N-O 3.1Å; R38-S77 PolarHBondContact O-N 2.8Å; R38-T151 CarbonylContact C-O 3.18Å; R38-T151 VanDerWaalsContact CA-O 3.31Å; R38-T151 WeakPolarHBondContact CA-O 3.38Å; R38-V152 HydrophobicContact CB-CG2 3.91Å; R38-V152 HydrophobicContact CG-CG2 3.71Å
39I98.9Very high97.7Very high0 Ų027.9 Ų27.90%016%0.16CC..EExtended strand (participates in β ladder)trans-118.6129.3-173.3-57.9172000108V37 V41 V91 T93 Y150 T151 I153 V158V37-I39 HydrophobicContact CG1-CG1 3.95Å; I39-V41 PolarHBondContact O-N 2.87Å; I39-V91 HydrophobicContact CD1-CG2 3.84Å; I39-V91 HydrophobicContact CG1-CG2 4.06Å; I39-V91 HydrophobicContact CG2-CG2 3.85Å; I39-T93 HydrophobicContact CD1-CG2 4.25Å; I39-Y150 VanDerWaalsContact O-CA 3.27Å; I39-Y150 WeakPolarHBondContact O-CA 3.37Å; I39-T151 HydrophobicContact CB-CG2 4.25Å; I39-T151 PolarHBondContact N-O 2.72Å; I39-T151 PolarHBondContact O-N 2.61Å; I39-I153 HydrophobicContact CD1-CD1 3.61Å; I39-I153 HydrophobicContact CD1-CG1 3.83Å; I39-V158 HydrophobicContact CD1-CG1 4.45Å; I39-V158 HydrophobicContact CD1-CG2 4.03Å
40K98.8Very high97.4Very high96 Ų9627.9 Ų27.942%0.41716%0.16SC..EExtended strand (participates in β ladder)trans-77.2106.7160.4-173.2179.4-178.2179.20107.8G73 I74 E149 Y150K40-G73 CarbonylContact O-C 3.57Å; K40-G73 WeakPolarHBondContact O-CA 3.36Å; K40-I74 PolarHBondContact N-O 3.11Å; K40-I74 PolarHBondContact O-N 3.47Å; K40-E149 CarbonylContact C-O 3.56Å; K40-E149 WeakPolarHBondContact CA-O 3.31Å; K40-Y150 HydrophobicContact CB-CD1 3.98Å; K40-Y150 HydrophobicContact CB-CE1 3.53Å; K40-Y150 HydrophobicContact CD-CE1 4.26Å; K40-Y150 HydrophobicContact CG-CD1 4.39Å; K40-Y150 HydrophobicContact CG-CE1 3.78Å; K40-Y150 HydrophobicContact CG-CE2 4.37Å
41V98.9Very high97Very high2 Ų227.9 Ų27.91%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-73.3133.6179.9-170.70000107.9I39 S148 E149 T151 L374I39-V41 PolarHBondContact O-N 2.87Å; V41-S148 WeakPolarHBondContact CG2-O 2.97Å; V41-E149 PolarHBondContact N-O 3.23Å; V41-T151 HydrophobicContact CG2-CG2 3.83Å; V41-L374 HydrophobicContact CB-CD1 4.31Å; V41-L374 HydrophobicContact CB-CD2 4.14Å; V41-L374 HydrophobicContact CG1-CD1 3.75Å; V41-L374 HydrophobicContact CG1-CD2 4.28Å
42V98.8Very high96.6Very high43 Ų4329.1 Ų29.126%0.26116%0.156SC..EExtended strand (participates in β ladder)trans-105.6-40.4-179.8172.20000110.4A72 I74 L167 L374V42-A72 PolarHBondContact N-O 3.47Å; V42-I74 HydrophobicContact CG2-CD1 4.28Å; V42-I74 HydrophobicContact CG2-CG1 4.38Å; V42-L167 HydrophobicContact CB-CB 4.15Å; V42-L167 HydrophobicContact CB-CD1 3.73Å; V42-L167 HydrophobicContact CG1-CB 3.99Å; V42-L167 HydrophobicContact CG1-CD1 4.07Å; V42-L167 HydrophobicContact CG2-CD1 3.69Å; V42-L374 PolarHBondContact O-N 3.03Å
43A98.8Very high96Very high0 Ų028.7 Ų28.70%015%0.153CC..EExtended strand (participates in β ladder)trans-147.2148.3177.700000111.5G71 A72 D168 C171 I371 L372 I373A43-G71 WeakPolarHBondContact O-CA 3.3Å; A43-A72 PolarHBondContact N-O 3.43Å; A43-A72 PolarHBondContact O-N 3.26Å; A43-D168 HydrophobicContact CB-CB 4.17Å; A43-C171 HydrophobicContact CB-CB 4.48Å; A43-I371 HydrophobicContact CB-CG2 3.95Å; A43-L372 CarbonylContact C-O 3.56Å; A43-L372 VanDerWaalsContact CA-O 3.3Å; A43-L372 WeakPolarHBondContact CA-O 3.39Å; A43-I373 HydrophobicContact CB-CD1 4Å
44T98.8Very high95.5Very high0 Ų024.7 Ų24.70%014%0.136CC..EExtended strand (participates in β ladder)trans-143.6137.5174.6-1750000111.6E70 T146 F147 L372 L374T44-E70 CarbonylContact C-O 3.56Å; T44-E70 VanDerWaalsContact CA-O 3.22Å; T44-E70 WeakPolarHBondContact CA-O 3.37Å; T44-E70 PolarHBondContact OG1-O 2.84Å; T44-T146 WeakPolarHBondContact OG1-CB 3.47Å; T44-T146 PolarHBondContact OG1-OG1 2.92Å; T44-F147 HydrophobicContact CG2-CD1 3.66Å; T44-F147 HydrophobicContact CG2-CE1 3.88Å; T44-L372 HydrophobicContact CG2-CB 3.83Å; T44-L372 HydrophobicContact CG2-CD1 4.27Å; T44-L372 PolarHBondContact N-O 2.7Å; T44-L372 PolarHBondContact O-N 3.06Å; T44-L374 HydrophobicContact CG2-CD1 3.88Å
45G98.1Very high94.8Very high0 Ų025.3 Ų25.30%015%0.148CC..EExtended strand (participates in β ladder)trans-79.7142.9172.300000112.1E70G45-E70 PolarHBondContact N-O 3.36Å
46L97.2Very high93.5Very high0 Ų021.7 Ų21.70%014%0.137CC..EExtended strand (participates in β ladder)trans-87.6114.6163.5-177.862.6000109.4E50 M51 F147 A358 V359 M362 C370L46-E50 HydrophobicContact CD1-CB 3.89Å; L46-E50 HydrophobicContact CD1-CG 4.31Å; L46-M51 HydrophobicContact CD1-SD 4.4Å; L46-M51 HydrophobicContact CD2-SD 4.2Å; L46-M51 HydrophobicContact CG-SD 4.35Å; L46-F147 HydrophobicContact CD1-CE2 4.22Å; L46-F147 HydrophobicContact CD1-CZ 3.72Å; L46-A358 HydrophobicContact CD2-CB 3.9Å; L46-V359 HydrophobicContact CD2-CG2 3.93Å; L46-M362 HydrophobicContact CD2-CG 3.8Å; L46-M362 HydrophobicContact CG-CG 4.29Å; L46-C370 PolarHBondContact N-O 3.43Å
47C95.3Very high91.6Very high3 Ų329.8 Ų29.82%0.0217%0.173CC..  trans-105.7162.5-173.6178.40000112T49 E50 M51C47-T49 PolarHBondContact O-N 3.28Å; C47-E50 VanDerWaalsContact CB-OE2 3.3Å; C47-E50 WeakPolarHBondContact CB-OE2 3.33Å; C47-E50 PolarHBondContact N-OE2 2.82Å; C47-E50 PolarHBondContact O-N 3.42Å; C47-M51 PolarHBondContact O-N 2.9Å
48G91.4Very high89.4Confident30 Ų3037.1 Ų37.131%0.30921%0.206SC..Hα-helixtrans-62.1-22.9177.300000113.6M51 K52G48-M51 PolarHBondContact O-N 3.25Å; G48-K52 WeakPolarHBondContact O-CG 3.43Å; G48-K52 PolarHBondContact O-N 3.49Å
49T91.4Very high87.6Confident41 Ų4140 Ų4025%0.25222%0.221SC..Hα-helixtrans-63-47.1174.5-55.80000111.3C47 M51 K52 I53 F141C47-T49 PolarHBondContact O-N 3.28Å; T49-M51 VanDerWaalsContact C-N 3.29Å; T49-M51 PolarHBondContact O-N 2.99Å; T49-K52 PolarHBondContact O-N 3.21Å; T49-I53 HydrophobicContact CG2-CD1 4.29Å; T49-I53 WeakPolarHBondContact O-CG1 3.43Å; T49-I53 PolarHBondContact O-N 2.8Å; T49-F141 HydrophobicContact CG2-CZ 4.37Å
50E92.4Very high86.2Confident0 Ų047.6 Ų47.60%026%0.262CS..Hα-helixtrans-59.8-41.1173.3-76.572.7-163.600111.4L46 C47 K52 I53 L54 L67 G68 H69 F141 F147L46-E50 HydrophobicContact CD1-CB 3.89Å; L46-E50 HydrophobicContact CD1-CG 4.31Å; C47-E50 VanDerWaalsContact CB-OE2 3.3Å; C47-E50 WeakPolarHBondContact CB-OE2 3.33Å; C47-E50 PolarHBondContact N-OE2 2.82Å; C47-E50 PolarHBondContact O-N 3.42Å; E50-K52 VanDerWaalsContact C-N 3.3Å; E50-K52 PolarHBondContact O-N 3.22Å; E50-I53 WeakPolarHBondContact O-CB 3.45Å; E50-I53 PolarHBondContact O-N 2.79Å; E50-I53 VanDerWaalsContact O-N 3.13Å; E50-L54 WeakPolarHBondContact O-CG 3.16Å; E50-L54 PolarHBondContact O-N 2.86Å; E50-L67 HydrophobicContact CG-CB 4.26Å; E50-L67 HydrophobicContact CG-CD1 4.37Å; E50-G68 WeakPolarHBondContact OE1-CA 3.49Å; E50-G68 PolarHBondContact OE1-N 3.02Å; E50-H69 IonicContact OE1-CE1 3.68Å; E50-H69 PolarHBondContact OE1-CE1 2.97Å; E50-H69 IonicContact OE1-CG 3.62Å; E50-H69 PolarHBondContact OE1-N 2.84Å; E50-H69 IonicContact OE1-ND1 3.96Å; E50-H69 PolarHBondContact OE1-ND1 2.78Å; E50-H69 IonicContact OE2-CE1 3Å; E50-H69 PolarHBondContact OE2-CE1 3.41Å; E50-H69 IonicContact OE2-ND1 2.76Å; E50-H69 PolarHBondContact OE2-ND1 3.38Å; E50-F141 WeakPolarHBondContact OE1-CE1 3.46Å; E50-F147 HydrophobicContact CG-CE2 3.83Å; E50-F147 HydrophobicContact CG-CZ 3.88Å
51M92.1Very high85.5Confident31 Ų3144 Ų4415%0.15325%0.248CC..Hα-helixtrans-62-39.2178.6-57.6-50.8-57.900112.2L46 C47 G48 T49 L54 G55 V359 M362 K363L46-M51 HydrophobicContact CD1-SD 4.4Å; L46-M51 HydrophobicContact CD2-SD 4.2Å; L46-M51 HydrophobicContact CG-SD 4.35Å; C47-M51 PolarHBondContact O-N 2.9Å; G48-M51 PolarHBondContact O-N 3.25Å; T49-M51 VanDerWaalsContact C-N 3.29Å; T49-M51 PolarHBondContact O-N 2.99Å; M51-L54 PolarHBondContact O-N 3.12Å; M51-L54 HydrophobicContact SD-CD1 4.37Å; M51-G55 PolarHBondContact O-N 2.88Å; M51-V359 HydrophobicContact CE-CB 4.49Å; M51-V359 HydrophobicContact CE-CG1 3.84Å; M51-V359 WeakPolarHBondContact CE-O 3.28Å; M51-V359 HydrophobicContact SD-CG1 4.39Å; M51-V359 HydrophobicContact SD-CG2 4.41Å; M51-M362 HydrophobicContact CE-CB 3.81Å; M51-M362 HydrophobicContact CG-CB 4.06Å; M51-M362 HydrophobicContact CG-CE 4.24Å; M51-M362 HydrophobicContact SD-CB 3.74Å; M51-M362 HydrophobicContact SD-CG 4.28Å; M51-K363 HydrophobicContact CE-CD 4.48Å; M51-K363 HydrophobicContact CE-CG 3.52Å
52K88.3Confident85Confident65 Ų6547.4 Ų47.428%0.28327%0.265SS..Hα-helixtrans-66.1-38.9174-72.8176.6179.8-178.50112.1G48 T49 E50 G55 S56 I270 V295G48-K52 WeakPolarHBondContact O-CG 3.43Å; G48-K52 PolarHBondContact O-N 3.49Å; T49-K52 PolarHBondContact O-N 3.21Å; E50-K52 VanDerWaalsContact C-N 3.3Å; E50-K52 PolarHBondContact O-N 3.22Å; K52-G55 PolarHBondContact O-N 3.42Å; K52-S56 WeakPolarHBondContact O-CB 3.38Å; K52-S56 PolarHBondContact O-N 2.9Å; K52-I270 WeakPolarHBondContact CE-O 3.43Å; K52-I270 PolarHBondContact NZ-O 3.03Å; K52-V295 HydrophobicContact CD-CB 4.35Å; K52-V295 PolarHBondContact NZ-O 3.18Å
53I87.6Confident84.8Confident9 Ų947.8 Ų47.85%0.04626%0.262CS..Hα-helixtrans-62.3-44.7174.6-69.9163.8000110.9L15 T49 E50 G55 S56 L59 L61 L67 F141L15-I53 HydrophobicContact CD2-CG2 4.43Å; T49-I53 HydrophobicContact CG2-CD1 4.29Å; T49-I53 WeakPolarHBondContact O-CG1 3.43Å; T49-I53 PolarHBondContact O-N 2.8Å; E50-I53 WeakPolarHBondContact O-CB 3.45Å; E50-I53 PolarHBondContact O-N 2.79Å; E50-I53 VanDerWaalsContact O-N 3.13Å; I53-G55 VanDerWaalsContact C-N 3.31Å; I53-G55 PolarHBondContact O-N 3.26Å; I53-S56 PolarHBondContact O-N 2.87Å; I53-L59 HydrophobicContact CB-CD1 4.37Å; I53-L59 HydrophobicContact CG1-CD1 3.6Å; I53-L61 HydrophobicContact CG2-CD2 3.53Å; I53-L67 HydrophobicContact CG2-CD1 3.92Å; I53-F141 HydrophobicContact CD1-CD2 4.3Å; I53-F141 HydrophobicContact CD1-CE1 4.38Å; I53-F141 HydrophobicContact CD1-CE2 3.27Å; I53-F141 HydrophobicContact CD1-CZ 3.32Å
54L88.2Confident84.6Confident22 Ų2248.8 Ų48.812%0.11527%0.269CS..Hα-helixtrans-66.3-33.1177.9-67.1171.4000112.6L15 F22 E50 M51 V359L15-L54 HydrophobicContact CD1-CD2 3.89Å; L15-L54 HydrophobicContact CD2-CD2 3.93Å; F22-L54 HydrophobicContact CE2-CD1 3.85Å; F22-L54 HydrophobicContact CE2-CD2 4.2Å; F22-L54 HydrophobicContact CZ-CD1 4.22Å; F22-L54 HydrophobicContact CZ-CD2 4.11Å; E50-L54 WeakPolarHBondContact O-CG 3.16Å; E50-L54 PolarHBondContact O-N 2.86Å; M51-L54 PolarHBondContact O-N 3.12Å; M51-L54 HydrophobicContact SD-CD1 4.37Å; L54-V359 HydrophobicContact CD1-CG1 3.84Å; L54-V359 HydrophobicContact CD1-CG2 3.85Å
55G81.6Confident84.5Confident71 Ų7148.8 Ų48.873%0.73227%0.269SS*.Hα-helixtrans-84.7-19.1179.200000115.2M51 K52 I53M51-G55 PolarHBondContact O-N 2.88Å; K52-G55 PolarHBondContact O-N 3.42Å; I53-G55 VanDerWaalsContact C-N 3.31Å; I53-G55 PolarHBondContact O-N 3.26Å
56S70.9Confident84.5Confident37 Ų3748.8 Ų48.826%0.25927%0.269SS..  trans-106.6131.9-174.7-176.90000112.2K52 I53 H58K52-S56 WeakPolarHBondContact O-CB 3.38Å; K52-S56 PolarHBondContact O-N 2.9Å; I53-S56 PolarHBondContact O-N 2.87Å; S56-H58 VanDerWaalsContact C-N 3.3Å; S56-H58 PolarHBondContact OG-N 2.96Å; S56-H58 VanDerWaalsContact OG-N 3.08Å
57K58.8Low84.5Confident176 Ų17648.8 Ų48.877%0.76527%0.269SS*.SBendtrans-85.8-2.1168.7-63.7-176.4-179178.60113
58H51.7Low84.6Confident153 Ų15348.7 Ų48.771%0.70827%0.268SS*.  trans-119.816.9-162.5-59.6-68.6000114.5S56S56-H58 VanDerWaalsContact C-N 3.3Å; S56-H58 PolarHBondContact OG-N 2.96Å; S56-H58 VanDerWaalsContact OG-N 3.08Å
59L61.8Low84.9Confident60 Ų6047.5 Ų47.531%0.31425%0.254SS..SBendtrans-92.5135.3169.3-71.1169.6000109.3I53 L61I53-L59 HydrophobicContact CB-CD1 4.37Å; I53-L59 HydrophobicContact CG1-CD1 3.6Å; L59-L61 PolarHBondContact O-N 3.41Å
60D69.5Low85.2Confident161 Ų16145.6 Ų45.686%0.86124%0.242SC*.  trans-66.967.2176.6-69.7-31.1000111.3Q122D60-Q122 PolarHBondContact O-NE2 2.8Å
61L83.3Confident85.5Confident21 Ų2145.6 Ų45.611%0.1124%0.242CC..  trans-109.4137.4178.4-170.564.9000109.6I53 L59 Y63 T65 L67 Q122 F141I53-L61 HydrophobicContact CG2-CD2 3.53Å; L59-L61 PolarHBondContact O-N 3.41Å; L61-Y63 HydrophobicContact CB-CE2 3.89Å; L61-Y63 HydrophobicContact CD2-CE1 4.19Å; L61-Y63 HydrophobicContact CD2-CE2 4.23Å; L61-Y63 HydrophobicContact CG-CE2 4.15Å; L61-Y63 VanDerWaalsContact O-CD2 3.31Å; L61-Y63 WeakPolarHBondContact O-CD2 3.42Å; L61-Y63 WeakPolarHBondContact O-CE2 3.42Å; L61-T65 HydrophobicContact CD2-CG2 3.93Å; L61-T65 HydrophobicContact CG-CG2 4.2Å; L61-L67 HydrophobicContact CD2-CD2 3.98Å; L61-Q122 HydrophobicContact CD1-CG 4.37Å; L61-F141 HydrophobicContact CD1-CD2 3.84Å; L61-F141 HydrophobicContact CD1-CE2 4.41Å
62L89.8Confident85.8Confident72 Ų7244.1 Ų44.138%0.37724%0.235SC..  trans-88.1141174.5-59.5-179.5000109.6T65 Q122 Y139L62-T65 WeakPolarHBondContact O-CB 3.4Å; L62-Q122 HydrophobicContact CB-CG 4.46Å; L62-Q122 HydrophobicContact CD1-CB 4.06Å; L62-Q122 HydrophobicContact CD1-CG 4.45Å; L62-Q122 HydrophobicContact CG-CB 4.42Å; L62-Q122 HydrophobicContact CG-CG 4.33Å; L62-Y139 HydrophobicContact CB-CD1 3.95Å; L62-Y139 HydrophobicContact CB-CD2 3.46Å; L62-Y139 VanDerWaalsContact CB-CD2 3.46Å; L62-Y139 HydrophobicContact CB-CE1 4.19Å; L62-Y139 HydrophobicContact CB-CE2 3.75Å; L62-Y139 HydrophobicContact CB-CG 3.58Å; L62-Y139 HydrophobicContact CD1-CD1 3.73Å; L62-Y139 HydrophobicContact CD1-CE1 3.57Å; L62-Y139 HydrophobicContact CD1-CE2 4.49Å; L62-Y139 HydrophobicContact CD1-CG 4.26Å
63Y92.8Very high86.3Confident52 Ų5241 Ų4120%0.20422%0.222CC..SBendtrans-124.3148.8-179.9-65.4-95.1000110.1L15 P18 L61 T65L15-Y63 HydrophobicContact CD2-CD1 4.49Å; L15-Y63 HydrophobicContact CD2-CE1 3.62Å; L15-Y63 HydrophobicContact CG-CD1 4.25Å; L15-Y63 HydrophobicContact CG-CE1 3.8Å; P18-Y63 HydrophobicContact CG-CD2 4.03Å; P18-Y63 HydrophobicContact CG-CE1 4.17Å; P18-Y63 HydrophobicContact CG-CE2 3.57Å; L61-Y63 HydrophobicContact CB-CE2 3.89Å; L61-Y63 HydrophobicContact CD2-CE1 4.19Å; L61-Y63 HydrophobicContact CD2-CE2 4.23Å; L61-Y63 HydrophobicContact CG-CE2 4.15Å; L61-Y63 VanDerWaalsContact O-CD2 3.31Å; L61-Y63 WeakPolarHBondContact O-CD2 3.42Å; L61-Y63 WeakPolarHBondContact O-CE2 3.42Å; Y63-T65 HydrophobicContact CD1-CG2 4.24Å; Y63-T65 HydrophobicContact CE1-CG2 4.41Å
64P96.1Very high86.9Confident21 Ų2143.4 Ų43.414%0.13623%0.234CC..SBendcis-71.8153.6-4.132.5-38.2000112.7I14 L15 W16 I138 Y139I14-P64 HydrophobicContact CG2-CB 4.08Å; L15-P64 WeakPolarHBondContact O-CA 3.24Å; W16-P64 HydrophobicContact CD2-CB 4.13Å; W16-P64 HydrophobicContact CE3-CB 3.5Å; W16-P64 HydrophobicContact CE3-CG 3.91Å; W16-P64 HydrophobicContact CZ3-CB 3.86Å; W16-P64 HydrophobicContact CZ3-CG 3.79Å; P64-I138 HydrophobicContact CB-CD1 3.86Å; P64-I138 HydrophobicContact CG-CD1 3.37Å; P64-Y139 VanDerWaalsContact O-CD2 3.3Å; P64-Y139 WeakPolarHBondContact O-CD2 3.09Å; P64-Y139 PolarHBondContact O-N 3.45Å
65T96.7Very high87.4Confident0 Ų042.5 Ų42.50%023%0.229CC..EExtended strand (participates in β ladder)trans-143.7152.6-177-176.50000113.4L15 L61 L62 Y63 L67 Y139 H140L15-T65 HydrophobicContact CB-CG2 4.22Å; L15-T65 PolarHBondContact N-O 2.94Å; L15-T65 PolarHBondContact O-N 2.99Å; L61-T65 HydrophobicContact CD2-CG2 3.93Å; L61-T65 HydrophobicContact CG-CG2 4.2Å; L62-T65 WeakPolarHBondContact O-CB 3.4Å; Y63-T65 HydrophobicContact CD1-CG2 4.24Å; Y63-T65 HydrophobicContact CE1-CG2 4.41Å; T65-L67 HydrophobicContact CG2-CD2 3.67Å; T65-L67 HydrophobicContact CG2-CG 4.4Å; T65-Y139 VanDerWaalsContact CA-O 3.29Å; T65-Y139 WeakPolarHBondContact CA-O 3.43Å; T65-Y139 PolarHBondContact OG1-O 2.65Å; T65-H140 PolarHBondContact OG1-O 2.95Å
66I98.2Very high88.2Confident0 Ų040.4 Ų40.40%020%0.2CC..EExtended strand (participates in β ladder)trans-100.6116.8166.9-67.2163.6000107.9A12 I14 V27 F131 I138 Y139 F141 S145 F147A12-I66 HydrophobicContact CB-CD1 3.76Å; A12-I66 HydrophobicContact CB-CG1 4.21Å; I14-I66 HydrophobicContact CG1-CG1 4.19Å; V27-I66 HydrophobicContact CG1-CD1 4.41Å; I66-F131 HydrophobicContact CD1-CB 4.21Å; I66-F131 HydrophobicContact CD1-CD1 3.76Å; I66-F131 HydrophobicContact CD1-CD2 4.08Å; I66-F131 HydrophobicContact CD1-CE1 4.05Å; I66-F131 HydrophobicContact CD1-CE2 4.34Å; I66-F131 HydrophobicContact CD1-CG 3.77Å; I66-F131 HydrophobicContact CD1-CZ 4.32Å; I66-I138 HydrophobicContact CD1-CG2 4.16Å; I66-I138 HydrophobicContact CG1-CG2 3.87Å; I66-Y139 PolarHBondContact N-O 2.82Å; I66-Y139 VanDerWaalsContact N-O 3.13Å; I66-F141 VanDerWaalsContact O-CB 3.23Å; I66-F141 WeakPolarHBondContact O-CB 3.29Å; I66-S145 WeakPolarHBondContact O-CB 3.44Å; I66-S145 PolarHBondContact O-OG 2.74Å; I66-F147 HydrophobicContact CG2-CB 4.19Å
67L97.4Very high89.5Confident0 Ų038.7 Ų38.70%019%0.189CC..  trans-82.7-165.8178.9-57.7-169.2000112.2L15 F22 E50 I53 L61 T65 F141 S145 T146 F147L15-L67 HydrophobicContact CD2-CD1 3.84Å; L15-L67 HydrophobicContact CD2-CG 4.4Å; F22-L67 HydrophobicContact CE1-CB 4.15Å; F22-L67 HydrophobicContact CE1-CD1 3.87Å; F22-L67 HydrophobicContact CE1-CG 3.99Å; F22-L67 HydrophobicContact CZ-CB 4.41Å; F22-L67 HydrophobicContact CZ-CD1 3.85Å; F22-L67 HydrophobicContact CZ-CG 4.39Å; E50-L67 HydrophobicContact CG-CB 4.26Å; E50-L67 HydrophobicContact CG-CD1 4.37Å; I53-L67 HydrophobicContact CG2-CD1 3.92Å; L61-L67 HydrophobicContact CD2-CD2 3.98Å; T65-L67 HydrophobicContact CG2-CD2 3.67Å; T65-L67 HydrophobicContact CG2-CG 4.4Å; L67-F141 HydrophobicContact CB-CD1 4.28Å; L67-F141 HydrophobicContact CD2-CB 3.92Å; L67-F141 HydrophobicContact CD2-CD1 4.19Å; L67-F141 HydrophobicContact CD2-CD2 3.76Å; L67-F141 HydrophobicContact CD2-CE2 4.36Å; L67-F141 HydrophobicContact CD2-CG 3.66Å; L67-S145 CarbonylContact O-C 3.57Å; L67-S145 WeakPolarHBondContact O-CA 3.48Å; L67-T146 PolarHBondContact O-N 3.15Å; L67-T146 VanDerWaalsContact O-N 3.16Å; L67-F147 HydrophobicContact CB-CD2 3.74Å; L67-F147 HydrophobicContact CB-CE2 3.87Å; L67-F147 WeakPolarHBondContact O-CB 3.16Å; L67-F147 WeakPolarHBondContact O-CG 3.3Å; L67-F147 PolarHBondContact O-N 3.36Å
68G97.4Very high91.4Very high0 Ų033.2 Ų33.20%017%0.167CC..  trans92.5129.2179.800000111.5E50 T144 S145 T146E50-G68 WeakPolarHBondContact OE1-CA 3.49Å; E50-G68 PolarHBondContact OE1-N 3.02Å; G68-T144 PolarHBondContact O-OG1 3.05Å; G68-S145 WeakPolarHBondContact O-CA 3.46Å; G68-S145 PolarHBondContact O-N 2.99Å; G68-S145 VanDerWaalsContact O-N 3.08Å; G68-T146 WeakPolarHBondContact CA-OG1 3.48Å; G68-T146 PolarHBondContact O-N 2.93Å; G68-T146 PolarHBondContact O-OG1 2.9Å
69H97.4Very high93.7Very high6 Ų626.4 Ų26.43%0.02814%0.139CC..  trans-139.4-0.1178.570.3-77.2000114.6E50 F95 F141 T144 T146 S174 C175E50-H69 IonicContact OE1-CE1 3.68Å; E50-H69 PolarHBondContact OE1-CE1 2.97Å; E50-H69 IonicContact OE1-CG 3.62Å; E50-H69 PolarHBondContact OE1-N 2.84Å; E50-H69 IonicContact OE1-ND1 3.96Å; E50-H69 PolarHBondContact OE1-ND1 2.78Å; E50-H69 IonicContact OE2-CE1 3Å; E50-H69 PolarHBondContact OE2-CE1 3.41Å; E50-H69 IonicContact OE2-ND1 2.76Å; E50-H69 PolarHBondContact OE2-ND1 3.38Å; H69-F95 HydrophobicContact CB-CB 4.11Å; H69-F95 AromaticContact CD2-CD1 3.84Å; H69-F141 HydrophobicContact CB-CD1 4.48Å; H69-F141 HydrophobicContact CB-CE1 4.11Å; H69-F141 AromaticContact ND1-CE1 3.93Å; H69-T144 VanDerWaalsContact CA-OG1 3.24Å; H69-T144 WeakPolarHBondContact CA-OG1 3.42Å; H69-T144 VanDerWaalsContact CB-OG1 3.26Å; H69-T144 WeakPolarHBondContact CB-OG1 3.27Å; H69-T146 PolarHBondContact N-OG1 2.62Å; H69-S174 PolarHBondContact O-OG 2.8Å; H69-S174 VanDerWaalsContact O-OG 3.07Å; H69-C175 PolarHBondContact NE2-SG 2.95Å
70E97.8Very high95.4Very high0 Ų031.2 Ų31.20%016%0.159CC..EExtended strand (participates in β ladder)trans-109.559.5-175.3-167.6168.2127.800109.6T44 G45 C171 L172 C175 G176 R369T44-E70 CarbonylContact C-O 3.56Å; T44-E70 VanDerWaalsContact CA-O 3.22Å; T44-E70 WeakPolarHBondContact CA-O 3.37Å; T44-E70 PolarHBondContact OG1-O 2.84Å; G45-E70 PolarHBondContact N-O 3.36Å; E70-C171 WeakPolarHBondContact CG-O 3.23Å; E70-L172 WeakPolarHBondContact OE1-CD2 3.41Å; E70-C175 HydrophobicContact CB-CB 4.16Å; E70-C175 HydrophobicContact CG-CB 3.98Å; E70-C175 WeakPolarHBondContact OE2-CB 3.21Å; E70-G176 PolarHBondContact OE2-N 2.93Å; E70-R369 IonicContact OE1-NE 3.45Å; E70-R369 PolarHBondContact OE1-NE 2.61Å; E70-R369 IonicContact OE2-NE 3.76Å
71G98.2Very high96.7Very high0 Ų025.6 Ų25.60%014%0.139CC..EExtended strand (participates in β ladder)trans-114.6152.2-16800000115.7A43 T93 S174A43-G71 WeakPolarHBondContact O-CA 3.3Å; G71-T93 PolarHBondContact N-OG1 3.11Å; G71-T93 PolarHBondContact O-N 3.1Å; G71-T93 PolarHBondContact O-OG1 2.91Å; G71-T93 VanDerWaalsContact O-OG1 3.07Å; G71-S174 PolarHBondContact N-OG 2.53Å
72A98.8Very high97.5Very high0 Ų025.4 Ų25.40%014%0.139CC..EExtended strand (participates in β ladder)trans-137.4146.9168.800000110.7V42 A43 V91 I92 L167 V170 C171V42-A72 PolarHBondContact N-O 3.47Å; A43-A72 PolarHBondContact N-O 3.43Å; A43-A72 PolarHBondContact O-N 3.26Å; A72-V91 WeakPolarHBondContact CA-O 3.48Å; A72-I92 HydrophobicContact CB-CG1 3.89Å; A72-L167 HydrophobicContact CB-CB 4.25Å; A72-L167 HydrophobicContact CB-CD2 3.95Å; A72-V170 HydrophobicContact CB-CG2 4.47Å; A72-C171 HydrophobicContact CB-CB 3.85Å
73G98.8Very high97.8Very high0 Ų026.7 Ų26.70%015%0.154CC..EExtended strand (participates in β ladder)trans-165-166.2-170.600000113.6K40 K90 V91K40-G73 CarbonylContact O-C 3.57Å; K40-G73 WeakPolarHBondContact O-CA 3.36Å; G73-K90 WeakPolarHBondContact O-CA 3.21Å; G73-V91 PolarHBondContact N-O 2.9Å; G73-V91 PolarHBondContact O-N 3.31Å
74I98.9Very high98.1Very high59 Ų5927 Ų2730%0.30316%0.161SC..EExtended strand (participates in β ladder)trans-123.4133.4179.9-60.3166.4000107.9K40 V42 E76 D89 K90 L167K40-I74 PolarHBondContact N-O 3.11Å; K40-I74 PolarHBondContact O-N 3.47Å; V42-I74 HydrophobicContact CG2-CD1 4.28Å; V42-I74 HydrophobicContact CG2-CG1 4.38Å; I74-E76 PolarHBondContact O-N 2.86Å; I74-D89 WeakPolarHBondContact CA-O 3.27Å; I74-K90 HydrophobicContact CG1-CG 4.24Å; I74-L167 HydrophobicContact CG1-CD1 4.08Å
75V98.9Very high98.2Very high3 Ų326.4 Ų26.42%0.01816%0.157CC..EExtended strand (participates in β ladder)trans-62.8123.4175.1179.80000109.3V37 I78 V85 K86 P87 G88 D89 V91V37-V75 HydrophobicContact CG1-CB 4.5Å; V37-V75 HydrophobicContact CG1-CG1 3.83Å; V37-V75 HydrophobicContact CG1-CG2 4.02Å; V75-I78 HydrophobicContact CG1-CG2 3.75Å; V75-V85 HydrophobicContact CG2-CB 4.15Å; V75-V85 HydrophobicContact CG2-CG2 4.22Å; V75-K86 WeakPolarHBondContact CB-O 3.35Å; V75-P87 WeakPolarHBondContact O-CA 3.48Å; V75-G88 PolarHBondContact O-N 2.59Å; V75-D89 HydrophobicContact CG2-CB 4.41Å; V75-D89 PolarHBondContact N-O 3.38Å; V75-V91 HydrophobicContact CG2-CB 4.44Å; V75-V91 HydrophobicContact CG2-CG1 3.54Å; V75-V91 HydrophobicContact CG2-CG2 3.98Å
76E98.8Very high98.3Very high27 Ų2731.7 Ų31.713%0.12618%0.181CC..EExtended strand (participates in β ladder)trans-91.1-49.9174.8179.2-84165.200110.6T3 T4 I8 R38 I74 Y150T3-E76 VanDerWaalsContact CB-OE1 3.27Å; T3-E76 WeakPolarHBondContact CB-OE1 3.44Å; T3-E76 PolarHBondContact OG1-OE1 3.31Å; T4-E76 PolarHBondContact N-OE1 2.77Å; I8-E76 HydrophobicContact CD1-CG 4.47Å; R38-E76 IonicContact CZ-OE2 2.91Å; R38-E76 VanDerWaalsContact CZ-OE2 3.23Å; R38-E76 IonicContact NE-OE2 2.73Å; R38-E76 PolarHBondContact NE-OE2 3.14Å; R38-E76 VanDerWaalsContact NH2-CD 3.32Å; R38-E76 IonicContact NH2-OE1 3.07Å; R38-E76 PolarHBondContact NH2-OE1 2.97Å; R38-E76 IonicContact NH2-OE2 2.74Å; R38-E76 PolarHBondContact NH2-OE2 2.86Å; R38-E76 PolarHBondContact O-N 3.13Å; I74-E76 PolarHBondContact O-N 2.86Å; E76-Y150 HydrophobicContact CB-CD1 4.4Å; E76-Y150 HydrophobicContact CB-CE1 4.1Å; E76-Y150 HydrophobicContact CG-CE1 3.97Å
77S98.8Very high98.3Very high2 Ų235 Ų351%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-149.7161176.258.60000111.5P32 R38P32-S77 WeakPolarHBondContact CD-OG 3.37Å; R38-S77 PolarHBondContact N-O 3.1Å; R38-S77 PolarHBondContact O-N 2.8Å
78I98.8Very high98.4Very high60 Ų6037.7 Ų37.731%0.30823%0.23SC..EExtended strand (participates in β ladder)trans-124.6145.7178.662.1175000109.2V37 V75 V82 V85V37-I78 HydrophobicContact CG1-CG2 4.35Å; V75-I78 HydrophobicContact CG1-CG2 3.75Å; I78-V82 HydrophobicContact CB-CB 3.98Å; I78-V82 HydrophobicContact CB-CG1 3.99Å; I78-V82 HydrophobicContact CB-CG2 4.31Å; I78-V82 HydrophobicContact CD1-CB 4.32Å; I78-V82 HydrophobicContact CD1-CG1 4.33Å; I78-V82 HydrophobicContact CG2-CB 4.47Å; I78-V82 HydrophobicContact CG2-CG1 3.91Å; I78-V85 HydrophobicContact CG2-CG2 4.19Å
79G98.6Very high98.4Very high11 Ų1138.6 Ų38.611%0.11324%0.235CC..  trans-88177.817100000112.7K33 E36 V82K33-G79 VanDerWaalsContact O-CA 3.31Å; K33-G79 WeakPolarHBondContact O-CA 3.3Å; E36-G79 PolarHBondContact O-N 2.73Å; G79-V82 WeakPolarHBondContact O-CG2 3.34Å; G79-V82 PolarHBondContact O-N 3.36Å
80E98.4Very high98.5Very high160 Ų16040.5 Ų40.575%0.74824%0.243SC*.THydrogen-bonded Turntrans-55.7138.2-176.4-171.8-178.4172.200112.8A34 K35 V82A34-E80 CarbonylContact C-O 3.49Å; A34-E80 VanDerWaalsContact CA-O 3.24Å; A34-E80 WeakPolarHBondContact CA-O 3.48Å; A34-E80 HydrophobicContact CB-CB 4.13Å; K35-E80 PolarHBondContact N-O 2.77Å; E80-V82 PolarHBondContact O-N 2.69Å
81G97.7Very high98.6Very high43 Ų4340.6 Ų40.644%0.44324%0.243SC..THydrogen-bonded Turntrans76.4-217500000115.5K35 S83K35-G81 WeakPolarHBondContact CE-O 3.35Å; K35-G81 PolarHBondContact NZ-O 2.75Å; G81-S83 PolarHBondContact O-N 2.92Å
82V98.5Very high98.6Very high17 Ų1740.6 Ų40.610%0.10324%0.243CC..  trans-65.4131.2169173.80000109.3E36 V37 I78 G79 E80 V85 E155E36-V82 WeakPolarHBondContact O-CG2 3.31Å; V37-V82 HydrophobicContact CG2-CG1 4.04Å; V37-V82 HydrophobicContact CG2-CG2 4.16Å; I78-V82 HydrophobicContact CB-CB 3.98Å; I78-V82 HydrophobicContact CB-CG1 3.99Å; I78-V82 HydrophobicContact CB-CG2 4.31Å; I78-V82 HydrophobicContact CD1-CB 4.32Å; I78-V82 HydrophobicContact CD1-CG1 4.33Å; I78-V82 HydrophobicContact CG2-CB 4.47Å; I78-V82 HydrophobicContact CG2-CG1 3.91Å; G79-V82 WeakPolarHBondContact O-CG2 3.34Å; G79-V82 PolarHBondContact O-N 3.36Å; E80-V82 PolarHBondContact O-N 2.69Å; V82-V85 HydrophobicContact CG1-CG2 3.85Å; V82-E155 HydrophobicContact CG1-CG 4.23Å; V82-E155 HydrophobicContact CG2-CB 4.32Å
83S97.5Very high98.5Very high100 Ų10040.6 Ų40.670%0.69924%0.243SC*.  trans-131.5-9-175.962.20000114.4G81 E155G81-S83 PolarHBondContact O-N 2.92Å; S83-E155 PolarHBondContact N-OE1 2.71Å
84T98Very high98.5Very high57 Ų5740.6 Ų40.635%0.3524%0.243SC..SBendtrans-101.9-10-170.858.10000115E155 R325T84-E155 WeakPolarHBondContact CB-OE1 3.19Å; T84-E155 WeakPolarHBondContact CG2-OE1 3.44Å; T84-E155 PolarHBondContact N-OE1 3.03Å; T84-E155 VanDerWaalsContact OG1-CG 3.22Å; T84-E155 WeakPolarHBondContact OG1-CG 3.43Å; T84-E155 PolarHBondContact OG1-OE1 3.33Å; T84-R325 PolarHBondContact OG1-NH2 2.81Å
85V98.6Very high98.2Very high9 Ų940.1 Ų40.16%0.05524%0.239CC..  trans-144.5160.4175.9-64.30000109.9V37 V75 I78 V82 V91 V158 K160V37-V85 HydrophobicContact CG1-CG2 4.04Å; V37-V85 HydrophobicContact CG2-CG2 3.78Å; V75-V85 HydrophobicContact CG2-CB 4.15Å; V75-V85 HydrophobicContact CG2-CG2 4.22Å; I78-V85 HydrophobicContact CG2-CG2 4.19Å; V82-V85 HydrophobicContact CG1-CG2 3.85Å; V85-V91 HydrophobicContact CG1-CG1 3.97Å; V85-V158 HydrophobicContact CG1-CG1 3.97Å; V85-K160 HydrophobicContact CG1-CB 4.18Å
86K98.6Very high98.1Very high112 Ų11240 Ų4049%0.48724%0.239SC..  trans-137.5161.6173.767.4-179.8-173.2-58.40111.3V75 G88 D89V75-K86 WeakPolarHBondContact CB-O 3.35Å; K86-G88 PolarHBondContact O-N 2.95Å; K86-D89 PolarHBondContact N-OD2 3.17Å; K86-D89 IonicContact NZ-OD1 3.27Å; K86-D89 PolarHBondContact NZ-OD1 2.89Å; K86-D89 IonicContact NZ-OD2 2.84Å; K86-D89 WeakPolarHBondContact O-CB 3.32Å; K86-D89 PolarHBondContact O-N 2.9Å; K86-D89 VanDerWaalsContact O-N 3.09Å
87P98.8Very high97.9Very high70 Ų7038.8 Ų38.846%0.45523%0.233SC..THydrogen-bonded Turntrans-48.2136.1173.1-29.136.9000112.9V75 D89V75-P87 WeakPolarHBondContact O-CA 3.48Å; P87-D89 VanDerWaalsContact C-N 3.33Å
88G98.4Very high97.8Very high56 Ų5639.8 Ų39.858%0.57724%0.237SC*.THydrogen-bonded Turntrans86.3-13.7-176.900000115.5V75 K86 K90V75-G88 PolarHBondContact O-N 2.59Å; K86-G88 PolarHBondContact O-N 2.95Å; G88-K90 PolarHBondContact O-N 3.45Å
89D98.9Very high97.7Very high19 Ų1938 Ų3810%0.10223%0.23CC..  trans-66.4135.2173.4-77.2-13000110.3I74 V75 K86 P87 K160I74-D89 WeakPolarHBondContact CA-O 3.27Å; V75-D89 HydrophobicContact CG2-CB 4.41Å; V75-D89 PolarHBondContact N-O 3.38Å; K86-D89 PolarHBondContact N-OD2 3.17Å; K86-D89 IonicContact NZ-OD1 3.27Å; K86-D89 PolarHBondContact NZ-OD1 2.89Å; K86-D89 IonicContact NZ-OD2 2.84Å; K86-D89 WeakPolarHBondContact O-CB 3.32Å; K86-D89 PolarHBondContact O-N 2.9Å; K86-D89 VanDerWaalsContact O-N 3.09Å; P87-D89 VanDerWaalsContact C-N 3.33Å; D89-K160 HydrophobicContact CB-CG 4.47Å; D89-K160 IonicContact OD1-NZ 3Å; D89-K160 PolarHBondContact OD1-NZ 3.15Å; D89-K160 WeakPolarHBondContact OD2-CD 3.15Å; D89-K160 WeakPolarHBondContact OD2-CE 3.43Å; D89-K160 IonicContact OD2-NZ 2.88Å; D89-K160 PolarHBondContact OD2-NZ 3.15Å
90K98.9Very high97.5Very high46 Ų4639.5 Ų39.520%0.225%0.245CC..EExtended strand (participates in β ladder)trans-72.5136.9166.4-76.1-172.6179.5168.20109.8G73 I74 G88 I161 A163 A165 L167G73-K90 WeakPolarHBondContact O-CA 3.21Å; I74-K90 HydrophobicContact CG1-CG 4.24Å; G88-K90 PolarHBondContact O-N 3.45Å; K90-I161 HydrophobicContact CB-CD1 4.3Å; K90-I161 HydrophobicContact CB-CG1 3.87Å; K90-I161 WeakPolarHBondContact O-CG1 3.45Å; K90-I161 PolarHBondContact O-N 3.05Å; K90-A163 WeakPolarHBondContact CD-O 3.4Å; K90-A163 WeakPolarHBondContact CE-O 3.09Å; K90-A163 PolarHBondContact NZ-O 2.71Å; K90-A165 PolarHBondContact NZ-O 3.25Å; K90-L167 HydrophobicContact CB-CD2 4.23Å; K90-L167 HydrophobicContact CD-CD1 4.22Å; K90-L167 HydrophobicContact CD-CD2 3.8Å; K90-L167 HydrophobicContact CD-CG 4.03Å; K90-L167 HydrophobicContact CG-CD1 4.24Å; K90-L167 HydrophobicContact CG-CD2 4.16Å
91V98.9Very high97.4Very high1 Ų138.8 Ų38.81%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-140.1153.2-174.4-68.30000112.2I39 A72 G73 V75 V85 V158 A159I39-V91 HydrophobicContact CD1-CG2 3.84Å; I39-V91 HydrophobicContact CG1-CG2 4.06Å; I39-V91 HydrophobicContact CG2-CG2 3.85Å; A72-V91 WeakPolarHBondContact CA-O 3.48Å; G73-V91 PolarHBondContact N-O 2.9Å; G73-V91 PolarHBondContact O-N 3.31Å; V75-V91 HydrophobicContact CG2-CB 4.44Å; V75-V91 HydrophobicContact CG2-CG1 3.54Å; V75-V91 HydrophobicContact CG2-CG2 3.98Å; V85-V91 HydrophobicContact CG1-CG1 3.97Å; V91-V158 HydrophobicContact CB-CG1 3.69Å; V91-V158 HydrophobicContact CG1-CG1 3.55Å; V91-V158 HydrophobicContact CG2-CG1 4.25Å; V91-A159 CarbonylContact C-O 3.54Å; V91-A159 WeakPolarHBondContact CA-O 3.18Å; V91-A159 WeakPolarHBondContact CB-O 3.21Å
92I98.4Very high97.3Very high0 Ų037.2 Ų37.20%022%0.224CC..EExtended strand (participates in β ladder)trans-108.6140.5165-80.3174.4000109A72 L94 A159 I161 V170 I173 I328 V332A72-I92 HydrophobicContact CB-CG1 3.89Å; I92-L94 HydrophobicContact CG2-CD2 4.13Å; I92-A159 PolarHBondContact N-O 3.08Å; I92-A159 PolarHBondContact O-N 2.93Å; I92-A159 VanDerWaalsContact O-N 3.11Å; I92-I161 HydrophobicContact CB-CG2 4.3Å; I92-I161 HydrophobicContact CD1-CD1 4.23Å; I92-I161 HydrophobicContact CD1-CG2 4.1Å; I92-I161 HydrophobicContact CG1-CD1 4.02Å; I92-I161 HydrophobicContact CG1-CG2 4.17Å; I92-V170 HydrophobicContact CD1-CB 4.23Å; I92-V170 HydrophobicContact CD1-CG2 4.19Å; I92-V170 VanDerWaalsContact CD1-O 3.25Å; I92-V170 WeakPolarHBondContact CD1-O 3.43Å; I92-I173 HydrophobicContact CD1-CB 4.21Å; I92-I328 HydrophobicContact CB-CG2 4.46Å; I92-I328 HydrophobicContact CD1-CG2 4.22Å; I92-I328 HydrophobicContact CG2-CG2 4.06Å; I92-V332 HydrophobicContact CD1-CG2 3.61Å
93T98.1Very high97.1Very high1 Ų141.7 Ų41.71%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-77.1146.2173.8610000110.8I39 G71 T146 I153 S174I39-T93 HydrophobicContact CD1-CG2 4.25Å; G71-T93 PolarHBondContact N-OG1 3.11Å; G71-T93 PolarHBondContact O-N 3.1Å; G71-T93 PolarHBondContact O-OG1 2.91Å; G71-T93 VanDerWaalsContact O-OG1 3.07Å; T93-T146 HydrophobicContact CG2-CG2 3.86Å; T93-I153 HydrophobicContact CG2-CD1 3.9Å; T93-S174 PolarHBondContact O-OG 2.94Å; T93-S174 PolarHBondContact OG1-OG 3.07Å
94L97.1Very high97Very high0 Ų038.5 Ų38.50%023%0.229CC..  trans-127.1105.9-178.5-56172.6000110I92 L96 S157 A159 F319 R325 I328I92-L94 HydrophobicContact CG2-CD2 4.13Å; L94-L96 PolarHBondContact O-N 3.47Å; L94-S157 WeakPolarHBondContact CB-O 3.48Å; L94-S157 PolarHBondContact N-O 3Å; L94-S157 VanDerWaalsContact O-CB 3.27Å; L94-S157 WeakPolarHBondContact O-CB 3.36Å; L94-S157 PolarHBondContact O-OG 3.46Å; L94-S157 VanDerWaalsContact O-OG 3.09Å; L94-A159 HydrophobicContact CD1-CB 3.86Å; L94-A159 HydrophobicContact CD2-CB 4.41Å; L94-A159 HydrophobicContact CG-CB 4.32Å; L94-F319 HydrophobicContact CD2-CE1 4.32Å; L94-F319 HydrophobicContact CD2-CZ 4.37Å; L94-R325 HydrophobicContact CD1-CB 4.3Å; L94-R325 HydrophobicContact CD1-CG 3.41Å; L94-R325 VanDerWaalsContact CD1-CG 3.41Å; L94-I328 HydrophobicContact CD2-CB 4.31Å; L94-I328 HydrophobicContact CD2-CG1 4.04Å; L94-I328 HydrophobicContact CD2-CG2 4.28Å
95F94.4Very high96.9Very high48 Ų4836.3 Ų36.321%0.21122%0.217CC..SBendtrans-63.6-30.8174.378.6-93000111.9H69 P97 G142 T144 C175 V318 F319H69-F95 HydrophobicContact CB-CB 4.11Å; H69-F95 AromaticContact CD2-CD1 3.84Å; F95-P97 VanDerWaalsContact O-CD 3.28Å; F95-P97 WeakPolarHBondContact O-CD 3.33Å; F95-G142 VanDerWaalsContact CA-O 3.27Å; F95-G142 WeakPolarHBondContact CA-O 3.41Å; F95-G142 WeakPolarHBondContact CB-O 3.43Å; F95-T144 HydrophobicContact CB-CG2 4.26Å; F95-C175 HydrophobicContact CD1-CB 4.4Å; F95-C175 HydrophobicContact CE1-CB 4.14Å; F95-V318 HydrophobicContact CE2-CG1 4.16Å; F95-V318 HydrophobicContact CZ-CG1 4.4Å; F95-F319 HydrophobicContact CE1-CB 4.21Å; F95-F319 AromaticContact CE1-CD2 3.54Å; F95-F319 HydrophobicContact CE1-CD2 3.54Å; F95-F319 HydrophobicContact CE1-CE2 4.05Å; F95-F319 AromaticContact CE1-CG 3.95Å; F95-F319 HydrophobicContact CE1-CG 3.95Å; F95-F319 HydrophobicContact CZ-CB 3.8Å; F95-F319 AromaticContact CZ-CD2 4Å; F95-F319 HydrophobicContact CZ-CD2 4Å; F95-F319 HydrophobicContact CZ-CG 4.07Å
96L95.6Very high96.8Very high2 Ų241.8 Ų41.81%0.0125%0.245CC..SBendtrans-95.2101.1170.8-167.371.6000109.3L94 N111 F112 V116 V318 F319 S324L94-L96 PolarHBondContact O-N 3.47Å; L96-N111 HydrophobicContact CD2-CB 4.4Å; L96-N111 WeakPolarHBondContact CD2-ND2 3.45Å; L96-N111 WeakPolarHBondContact CD2-O 3.38Å; L96-F112 HydrophobicContact CD1-CD2 3.6Å; L96-F112 HydrophobicContact CD1-CE2 3.9Å; L96-F112 HydrophobicContact CD1-CG 4.36Å; L96-V116 HydrophobicContact CD1-CG2 3.63Å; L96-V318 HydrophobicContact CD1-CG1 4.18Å; L96-V318 HydrophobicContact CD2-CG1 4.26Å; L96-F319 HydrophobicContact CB-CD1 4.39Å; L96-F319 HydrophobicContact CD2-CB 3.95Å; L96-F319 HydrophobicContact CD2-CD1 4.35Å; L96-S324 WeakPolarHBondContact O-CB 3.39Å; L96-S324 PolarHBondContact O-OG 3.23Å
97P95.4Very high96.7Very high1 Ų140.6 Ų40.61%0.00624%0.244CC..  trans-67.2160.7178.928.2-34.9000112F95 C113 Q115 V116 I156F95-P97 VanDerWaalsContact O-CD 3.28Å; F95-P97 WeakPolarHBondContact O-CD 3.33Å; P97-C113 HydrophobicContact CG-CB 4.36Å; P97-C113 WeakPolarHBondContact O-CB 3.41Å; P97-Q115 HydrophobicContact CG-CB 4.16Å; P97-V116 HydrophobicContact CG-CG2 3.92Å; P97-I156 CarbonylContact C-O 3.53Å; P97-I156 WeakPolarHBondContact CA-O 3.5Å; P97-I156 HydrophobicContact CB-CB 4.29Å; P97-I156 HydrophobicContact CB-CD1 3.87Å; P97-I156 HydrophobicContact CB-CG1 3.86Å; P97-I156 WeakPolarHBondContact CB-O 3.41Å
98Q96.8Very high96.5Very high22 Ų2241.8 Ų41.810%0.10325%0.254CS..  trans-134.1105.4168.4-179.1179.2-5.600109.2I156 K323 S324 R325 E326Q98-I156 PolarHBondContact N-O 3.16Å; Q98-K323 PolarHBondContact OE1-O 3.04Å; Q98-S324 WeakPolarHBondContact CB-OG 3.49Å; Q98-S324 VanDerWaalsContact OE1-N 3.12Å; Q98-R325 HydrophobicContact CB-CB 4.12Å; Q98-R325 HydrophobicContact CB-CG 3.91Å; Q98-R325 WeakPolarHBondContact O-CD 3Å; Q98-E326 VanDerWaalsContact OE1-N 3.11Å
99C95.4Very high96.2Very high22 Ų2245.8 Ų45.815%0.14926%0.258CS..  trans-80.4-22.2179.667.80000113.3E101 C102 C113 Q115 I156C99-E101 VanDerWaalsContact C-N 3.25Å; C99-E101 HydrophobicContact CB-CG 4.15Å; C99-E101 PolarHBondContact O-N 2.98Å; C99-C102 PolarHBondContact SG-N 3.4Å; C99-C113 VanDerWaalsContact SG-SG 3.68Å; C99-Q115 HydrophobicContact CB-CG 4.15Å; C99-I156 HydrophobicContact CB-CG2 4.25Å
100G95.6Very high95.9Very high43 Ų4345.7 Ų45.744%0.44326%0.261SS..SBendtrans81.8-7.9178.500000115.4L106G100-L106 WeakPolarHBondContact O-CD2 3.42Å
101E95.7Very high95.8Very high145 Ų14544.6 Ų44.668%0.67826%0.257SS*.SBendtrans-120.4-20.1-172.561.3-174.7-175.900114.2C99 L106C99-E101 VanDerWaalsContact C-N 3.25Å; C99-E101 HydrophobicContact CB-CG 4.15Å; C99-E101 PolarHBondContact O-N 2.98Å; E101-L106 WeakPolarHBondContact O-CD1 3.37Å
102C96Very high95.6Very high10 Ų1048.3 Ų48.37%0.06827%0.273CS..SBendtrans-78.3159.3-179.573.30000112.7C99 S104 C105 L106 I114C99-C102 PolarHBondContact SG-N 3.4Å; C102-S104 VanDerWaalsContact C-N 3.26Å; C102-S104 PolarHBondContact O-N 2.99Å; C102-C105 WeakPolarHBondContact O-CA 3.5Å; C102-C105 WeakPolarHBondContact O-CB 3.46Å; C102-C105 PolarHBondContact O-N 3.03Å; C102-C105 PolarHBondContact SG-N 3.25Å; C102-C105 VanDerWaalsContact SG-N 3.4Å; C102-C105 PolarHBondContact SG-SG 3.03Å; C102-L106 WeakPolarHBondContact O-CG 3.41Å; C102-L106 PolarHBondContact O-N 3.18Å; C102-I114 HydrophobicContact CB-CB 4.41Å; C102-I114 HydrophobicContact CB-CD1 3.49Å; C102-I114 VanDerWaalsContact CB-CD1 3.49Å; C102-I114 HydrophobicContact CB-CG1 3.51Å; C102-I114 HydrophobicContact CB-CG2 4.17Å
103T94.9Very high95.5Very high111 Ų11148.3 Ų48.368%0.68127%0.273SS*.Hα-helixtrans-51-42.8178.652.30000113C105 L106 N107T103-C105 PolarHBondContact O-N 3.21Å; T103-L106 PolarHBondContact O-N 2.97Å; T103-N107 WeakPolarHBondContact O-CB 3.47Å; T103-N107 PolarHBondContact O-N 3.27Å
104S94.5Very high95.2Very high33 Ų3350.8 Ų50.823%0.23129%0.286CS..Hα-helixtrans-66-35.4176.3-54.80000113.3C102 G110 F112C102-S104 VanDerWaalsContact C-N 3.26Å; C102-S104 PolarHBondContact O-N 2.99Å; S104-G110 CarbonylContact O-C 3.6Å; S104-G110 VanDerWaalsContact O-O 3.13Å; S104-F112 WeakPolarHBondContact CB-O 3.44Å; S104-F112 PolarHBondContact OG-O 3.4Å
105C96.7Very high94.9Very high12 Ų1253 Ų538%0.08130%0.296CS..Hα-helixtrans-74.2-34.3176.3-750000112C102 T103 K323C102-C105 WeakPolarHBondContact O-CA 3.5Å; C102-C105 WeakPolarHBondContact O-CB 3.46Å; C102-C105 PolarHBondContact O-N 3.03Å; C102-C105 PolarHBondContact SG-N 3.25Å; C102-C105 VanDerWaalsContact SG-N 3.4Å; C102-C105 PolarHBondContact SG-SG 3.03Å; T103-C105 PolarHBondContact O-N 3.21Å; C105-K323 PolarHBondContact O-NZ 2.96Å
106L96.6Very high94.4Very high124 Ų12452.2 Ų52.265%0.64930%0.295SS*.Hα-helixtrans-79.9-23.1-180-63.6177.4000113.2G100 E101 C102 T103G100-L106 WeakPolarHBondContact O-CD2 3.42Å; E101-L106 WeakPolarHBondContact O-CD1 3.37Å; C102-L106 WeakPolarHBondContact O-CG 3.41Å; C102-L106 PolarHBondContact O-N 3.18Å; T103-L106 PolarHBondContact O-N 2.97Å
107N96.6Very high93.4Very high86 Ų8660.6 Ų60.646%0.4633%0.332SS..SBendtrans-72.3132.7175.1-175-72.1000111.3T103 E109 G110 K323T103-N107 WeakPolarHBondContact O-CB 3.47Å; T103-N107 PolarHBondContact O-N 3.27Å; N107-E109 PolarHBondContact O-N 2.91Å; N107-E109 PolarHBondContact OD1-N 3.19Å; N107-G110 PolarHBondContact O-N 2.95Å; N107-G110 PolarHBondContact OD1-N 2.85Å; N107-G110 VanDerWaalsContact OD1-N 3.13Å; N107-K323 PolarHBondContact O-NZ 2.74Å
108S93.7Very high92.4Very high96 Ų9666.5 Ų66.567%0.67136%0.359SS*.THydrogen-bonded Turntrans-63.7-35.3-176.657.80000114.3
109E91.4Very high90.9Very high140 Ų14066 Ų6665%0.65436%0.358SS*.THydrogen-bonded Turntrans-91.7-5.3179.1-55.6-61116.500112.3N107 K189N107-E109 PolarHBondContact O-N 2.91Å; N107-E109 PolarHBondContact OD1-N 3.19Å; E109-K189 IonicContact OE2-NZ 2.73Å; E109-K189 PolarHBondContact OE2-NZ 2.95Å
110G93.1Very high90Very high17 Ų1772.1 Ų72.118%0.17538%0.382CS..  trans-91.6132.8-177.500000113.5S104 N107 K323S104-G110 CarbonylContact O-C 3.6Å; S104-G110 VanDerWaalsContact O-O 3.13Å; N107-G110 PolarHBondContact O-N 2.95Å; N107-G110 PolarHBondContact OD1-N 2.85Å; N107-G110 VanDerWaalsContact OD1-N 3.13Å; G110-K323 PolarHBondContact O-NZ 2.94Å
111N96.4Very high89.3Confident22 Ų2271.9 Ų71.912%0.11837%0.373CS..  trans-126.4-14.6167.476.7-31.4000114.7L96 C113 V318 G321 W322L96-N111 HydrophobicContact CD2-CB 4.4Å; L96-N111 WeakPolarHBondContact CD2-ND2 3.45Å; L96-N111 WeakPolarHBondContact CD2-O 3.38Å; N111-C113 PolarHBondContact O-N 2.73Å; N111-V318 PolarHBondContact ND2-O 2.98Å; N111-G321 VanDerWaalsContact ND2-C 3.29Å; N111-G321 WeakPolarHBondContact ND2-CA 3.31Å; N111-W322 VanDerWaalsContact CB-O 3.29Å; N111-W322 WeakPolarHBondContact CB-O 3.37Å; N111-W322 PolarHBondContact ND2-N 3Å; N111-W322 PolarHBondContact ND2-O 3.36Å; N111-W322 VanDerWaalsContact ND2-O 3.1Å
112F95.4Very high88.9Confident79 Ų7966.7 Ų66.735%0.34635%0.349SS..  trans-80.583-176.9-159.2-97.6000111.8L96 S104 V116 K117 V318L96-F112 HydrophobicContact CD1-CD2 3.6Å; L96-F112 HydrophobicContact CD1-CE2 3.9Å; L96-F112 HydrophobicContact CD1-CG 4.36Å; S104-F112 WeakPolarHBondContact CB-O 3.44Å; S104-F112 PolarHBondContact OG-O 3.4Å; F112-V116 HydrophobicContact CE1-CB 4.1Å; F112-V116 HydrophobicContact CE1-CG1 4.04Å; F112-V116 HydrophobicContact CE2-CG1 4.2Å; F112-V116 HydrophobicContact CZ-CB 4.07Å; F112-V116 HydrophobicContact CZ-CG1 3.56Å; F112-V116 HydrophobicContact CZ-CG2 4.38Å; F112-K117 HydrophobicContact CE1-CG 4.44Å; F112-V318 HydrophobicContact CD2-CB 4.11Å; F112-V318 HydrophobicContact CD2-CG1 3.97Å; F112-V318 HydrophobicContact CD2-CG2 4.06Å; F112-V318 HydrophobicContact CE2-CB 4.49Å; F112-V318 HydrophobicContact CE2-CG1 4.08Å; F112-V318 HydrophobicContact CE2-CG2 4.17Å
113C95.6Very high88.7Confident0 Ų067.3 Ų67.30%035%0.351CS..  trans-54.5137-177.6-178.20000112.6P97 C99 N111 Q115 V116P97-C113 HydrophobicContact CG-CB 4.36Å; P97-C113 WeakPolarHBondContact O-CB 3.41Å; C99-C113 VanDerWaalsContact SG-SG 3.68Å; N111-C113 PolarHBondContact O-N 2.73Å; C113-Q115 PolarHBondContact O-N 3.03Å; C113-Q115 VanDerWaalsContact O-N 3.1Å; C113-V116 WeakPolarHBondContact O-CB 3.47Å; C113-V116 VanDerWaalsContact O-CG2 3.29Å; C113-V116 WeakPolarHBondContact O-CG2 3.42Å; C113-V116 PolarHBondContact O-N 2.79Å
114I92.6Very high88.7Confident54 Ų5462.5 Ų62.528%0.27732%0.321SS..THydrogen-bonded Turntrans-61.4-24.4-179.172.1174.8000112.7C102 V116 K117 Q118C102-I114 HydrophobicContact CB-CB 4.41Å; C102-I114 HydrophobicContact CB-CD1 3.49Å; C102-I114 VanDerWaalsContact CB-CD1 3.49Å; C102-I114 HydrophobicContact CB-CG1 3.51Å; C102-I114 HydrophobicContact CB-CG2 4.17Å; I114-V116 PolarHBondContact O-N 3.04Å; I114-V116 VanDerWaalsContact O-N 3.16Å; I114-K117 PolarHBondContact O-N 3.07Å; I114-Q118 PolarHBondContact O-N 3.02Å; I114-Q118 VanDerWaalsContact O-N 3.1Å
115Q89.8Confident88.5Confident46 Ų4665.5 Ų65.522%0.21534%0.342CS..Hα-helixtrans-62-20.9177.2-66.1-62.2-27.100112.5P97 C99 C113 K117 S119 I156P97-Q115 HydrophobicContact CG-CB 4.16Å; C99-Q115 HydrophobicContact CB-CG 4.15Å; C113-Q115 PolarHBondContact O-N 3.03Å; C113-Q115 VanDerWaalsContact O-N 3.1Å; Q115-K117 VanDerWaalsContact C-N 3.31Å; Q115-K117 PolarHBondContact O-N 3.03Å; Q115-S119 VanDerWaalsContact O-CB 3.23Å; Q115-S119 WeakPolarHBondContact O-CB 3.4Å; Q115-S119 PolarHBondContact O-N 3.18Å; Q115-S119 PolarHBondContact O-OG 2.67Å; Q115-I156 HydrophobicContact CB-CD1 4Å; Q115-I156 HydrophobicContact CG-CD1 3.98Å
116V85.1Confident88.3Confident31 Ų3168.1 Ų68.119%0.18836%0.355CS..Hα-helixtrans-61-41.1172178.70000111.7L96 P97 F112 C113 I114L96-V116 HydrophobicContact CD1-CG2 3.63Å; P97-V116 HydrophobicContact CG-CG2 3.92Å; F112-V116 HydrophobicContact CE1-CB 4.1Å; F112-V116 HydrophobicContact CE1-CG1 4.04Å; F112-V116 HydrophobicContact CE2-CG1 4.2Å; F112-V116 HydrophobicContact CZ-CB 4.07Å; F112-V116 HydrophobicContact CZ-CG1 3.56Å; F112-V116 HydrophobicContact CZ-CG2 4.38Å; C113-V116 WeakPolarHBondContact O-CB 3.47Å; C113-V116 VanDerWaalsContact O-CG2 3.29Å; C113-V116 WeakPolarHBondContact O-CG2 3.42Å; C113-V116 PolarHBondContact O-N 2.79Å; I114-V116 PolarHBondContact O-N 3.04Å; I114-V116 VanDerWaalsContact O-N 3.16Å
117K74.9Confident88.1Confident179 Ų17964.4 Ų64.478%0.77835%0.347SS*.Hα-helixtrans-84.4-37.7-179-67.3-175.2178.3-177.80112F112 I114 Q115F112-K117 HydrophobicContact CE1-CG 4.44Å; I114-K117 PolarHBondContact O-N 3.07Å; Q115-K117 VanDerWaalsContact C-N 3.31Å; Q115-K117 PolarHBondContact O-N 3.03Å
118Q74.8Confident88Confident125 Ų12563 Ų6358%0.58434%0.341SS*.Hα-helixtrans-77.8-34.5-174.8-68.8178.2-22.400112.5I114I114-Q118 PolarHBondContact O-N 3.02Å; I114-Q118 VanDerWaalsContact O-N 3.1Å
119S64.4Low88.2Confident11 Ų1159.3 Ų59.38%0.07732%0.315CS..SBendtrans-94.4115.7177.280.50000108.7Q115 P121 K154Q115-S119 VanDerWaalsContact O-CB 3.23Å; Q115-S119 WeakPolarHBondContact O-CB 3.4Å; Q115-S119 PolarHBondContact O-N 3.18Å; Q115-S119 PolarHBondContact O-OG 2.67Å; S119-P121 WeakPolarHBondContact O-CD 3.29Å; S119-K154 PolarHBondContact OG-NZ 3.21Å
120K75.8Confident88.5Confident151 Ų15152.9 Ų52.966%0.65729%0.285SS*.  trans-54109.4173.1-66178-179.8179.30107.3Q122 L123K120-Q122 PolarHBondContact O-N 3.15Å; K120-L123 HydrophobicContact CB-CB 4.48Å; K120-L123 HydrophobicContact CD-CD1 4.22Å; K120-L123 PolarHBondContact O-N 2.84Å
121P80.8Confident88.8Confident38 Ų3852.1 Ų52.125%0.24728%0.277CS..THydrogen-bonded Turntrans-68.4-5.4-168.926.7-34.3000113.4S119 G142 N143S119-P121 WeakPolarHBondContact O-CD 3.29Å; P121-G142 PolarHBondContact O-N 2.96Å; P121-N143 PolarHBondContact O-N 3.49Å
122Q88.6Confident88.9Confident35 Ų3553.2 Ų53.216%0.16429%0.285CS..THydrogen-bonded Turntrans-91-3.6174.2-53.782.44.300114D60 L61 L62 K120 Y139 H140D60-Q122 PolarHBondContact O-NE2 2.8Å; L61-Q122 HydrophobicContact CD1-CG 4.37Å; L62-Q122 HydrophobicContact CB-CG 4.46Å; L62-Q122 HydrophobicContact CD1-CB 4.06Å; L62-Q122 HydrophobicContact CD1-CG 4.45Å; L62-Q122 HydrophobicContact CG-CB 4.42Å; L62-Q122 HydrophobicContact CG-CG 4.33Å; K120-Q122 PolarHBondContact O-N 3.15Å; Q122-Y139 HydrophobicContact CB-CD1 4.45Å; Q122-H140 VanDerWaalsContact CA-O 3.24Å; Q122-H140 WeakPolarHBondContact CA-O 3.14Å; Q122-H140 PolarHBondContact O-N 3.16Å
123L91.6Very high89Confident23 Ų2349.6 Ų49.612%0.1227%0.269CS..SBendtrans-140.9162.4-177.9-67.1168.2000111.8K120 Y139 K154K120-L123 HydrophobicContact CB-CB 4.48Å; K120-L123 HydrophobicContact CD-CD1 4.22Å; K120-L123 PolarHBondContact O-N 2.84Å; L123-Y139 HydrophobicContact CD2-CD1 3.82Å; L123-Y139 HydrophobicContact CD2-CE1 3.97Å; L123-Y139 HydrophobicContact CG-CD1 4.29Å; L123-Y139 HydrophobicContact CG-CE1 4.47Å; L123-K154 PolarHBondContact O-NZ 3.31Å
124M93.7Very high89.1Confident11 Ų1155.8 Ų55.85%0.05430%0.302CS..  trans-75.7172.1170.7-57.7-50.1-72.200111.3E36 D126 G127 T128 R130 V152 K154E36-M124 HydrophobicContact CB-CE 4.37Å; E36-M124 VanDerWaalsContact CD-CE 3.45Å; E36-M124 HydrophobicContact CG-CE 3.61Å; E36-M124 WeakPolarHBondContact OE1-CB 3.48Å; E36-M124 VanDerWaalsContact OE1-CE 3.3Å; E36-M124 WeakPolarHBondContact OE1-CE 3.39Å; M124-D126 PolarHBondContact O-N 3.13Å; M124-D126 VanDerWaalsContact O-N 3.16Å; M124-G127 PolarHBondContact O-N 3.38Å; M124-T128 WeakPolarHBondContact CB-O 3.25Å; M124-T128 PolarHBondContact N-O 3.27Å; M124-R130 HydrophobicContact CG-CG 3.81Å; M124-R130 HydrophobicContact SD-CG 4.48Å; M124-V152 HydrophobicContact CE-CG1 4.34Å; M124-K154 HydrophobicContact CE-CG 3.94Å
125S90.6Very high89.2Confident95 Ų9556.7 Ų56.766%0.66433%0.325SS*.THydrogen-bonded Turntrans-62-24.2-175.9-56.30000113.6G127 K154S125-G127 VanDerWaalsContact C-N 3.26Å; S125-G127 PolarHBondContact O-N 2.79Å; S125-K154 WeakPolarHBondContact OG-CE 3.42Å
126D92.6Very high89.6Confident68 Ų6860.6 Ų60.636%0.36434%0.341SS..THydrogen-bonded Turntrans-85.16.5175.666.22.5000113.5K33 M124 T128 R130K33-D126 WeakPolarHBondContact CD-OD2 3.38Å; K33-D126 WeakPolarHBondContact CE-OD2 3.46Å; K33-D126 IonicContact NZ-OD2 2.71Å; K33-D126 PolarHBondContact NZ-OD2 3.19Å; M124-D126 PolarHBondContact O-N 3.13Å; M124-D126 VanDerWaalsContact O-N 3.16Å; D126-T128 VanDerWaalsContact C-N 3.27Å; D126-T128 PolarHBondContact O-N 2.63Å; D126-T128 WeakPolarHBondContact OD1-CB 3.29Å; D126-T128 PolarHBondContact OD1-N 2.74Å; D126-T128 PolarHBondContact OD1-OG1 2.97Å; D126-T128 PolarHBondContact OD2-OG1 3.15Å; D126-R130 IonicContact OD1-NH1 3.07Å; D126-R130 IonicContact OD1-NH2 3.92Å; D126-R130 IonicContact OD2-CZ 2.72Å; D126-R130 IonicContact OD2-NH1 2.89Å; D126-R130 IonicContact OD2-NH2 2.79Å; D126-R130 PolarHBondContact OD2-NH2 3.34Å
127G92.7Very high90.2Very high45 Ų4562 Ų6246%0.46435%0.353SS..SBendtrans74.811.6-17900000114.5M124 S125M124-G127 PolarHBondContact O-N 3.38Å; S125-G127 VanDerWaalsContact C-N 3.26Å; S125-G127 PolarHBondContact O-N 2.79Å
128T95.3Very high91.3Very high56 Ų5653.5 Ų53.534%0.34432%0.315SS..  trans-111.6164.7-179.869.70000112.2M124 D126 R130M124-T128 WeakPolarHBondContact CB-O 3.25Å; M124-T128 PolarHBondContact N-O 3.27Å; D126-T128 VanDerWaalsContact C-N 3.27Å; D126-T128 PolarHBondContact O-N 2.63Å; D126-T128 WeakPolarHBondContact OD1-CB 3.29Å; D126-T128 PolarHBondContact OD1-N 2.74Å; D126-T128 PolarHBondContact OD1-OG1 2.97Å; D126-T128 PolarHBondContact OD2-OG1 3.15Å; T128-R130 PolarHBondContact OG1-NH1 3.09Å
129S97Very high92.3Very high19 Ų1950.8 Ų50.813%0.13330%0.3CS..  trans-92.1165.5168.5-171.20000111.3F131 S137 I138 H140S129-F131 PolarHBondContact OG-N 3.2Å; S129-F131 VanDerWaalsContact OG-N 3.09Å; S129-S137 WeakPolarHBondContact CB-OG 3.42Å; S129-I138 WeakPolarHBondContact CB-O 3.33Å; S129-I138 PolarHBondContact OG-O 2.9Å; S129-H140 PolarHBondContact OG-CD2 2.92Å
130R98.4Very high93.9Very high6 Ų650.4 Ų50.42%0.02330%0.297CS..SBendtrans-109.6-1.4169.9-64-75.6173.2-80.2-6.1111.9V29 A30 E36 M124 D126 T128 H140 V152V29-R130 WeakPolarHBondContact CA-O 3.2Å; A30-R130 HydrophobicContact CB-CB 4.4Å; A30-R130 PolarHBondContact N-O 3.35Å; E36-R130 VanDerWaalsContact CD-NH2 3.28Å; E36-R130 IonicContact OE1-CZ 3.23Å; E36-R130 IonicContact OE1-NE 3.84Å; E36-R130 IonicContact OE1-NH2 3.8Å; E36-R130 PolarHBondContact OE1-NH2 3.07Å; E36-R130 IonicContact OE2-CZ 3.36Å; E36-R130 VanDerWaalsContact OE2-CZ 3.31Å; E36-R130 IonicContact OE2-NE 2.65Å; E36-R130 PolarHBondContact OE2-NE 2.8Å; E36-R130 IonicContact OE2-NH2 3.39Å; E36-R130 PolarHBondContact OE2-NH2 3.45Å; E36-R130 VanDerWaalsContact OE2-NH2 3.1Å; M124-R130 HydrophobicContact CG-CG 3.81Å; M124-R130 HydrophobicContact SD-CG 4.48Å; D126-R130 IonicContact OD1-NH1 3.07Å; D126-R130 IonicContact OD1-NH2 3.92Å; D126-R130 IonicContact OD2-CZ 2.72Å; D126-R130 IonicContact OD2-NH1 2.89Å; D126-R130 IonicContact OD2-NH2 2.79Å; D126-R130 PolarHBondContact OD2-NH2 3.34Å; T128-R130 PolarHBondContact OG1-NH1 3.09Å; R130-H140 PolarHBondContact N-NE2 3.4Å; R130-V152 HydrophobicContact CB-CB 3.83Å; R130-V152 HydrophobicContact CB-CG1 4.38Å; R130-V152 HydrophobicContact CB-CG2 4.1Å; R130-V152 HydrophobicContact CG-CB 3.75Å; R130-V152 HydrophobicContact CG-CG1 3.74Å; R130-V152 HydrophobicContact CG-CG2 4.3Å
131F98.7Very high94.7Very high0 Ų044.3 Ų44.30%027%0.271CS..EExtended strand (participates in β ladder)trans-112.9132.7-178.5-61.6-66.9000111.2V27 E28 V29 I66 S129 I138 H140 Y150V27-F131 HydrophobicContact CG2-CD1 4.47Å; E28-F131 WeakPolarHBondContact O-CA 3.34Å; V29-F131 HydrophobicContact CG1-CD1 4.39Å; V29-F131 HydrophobicContact CG1-CE1 4.07Å; V29-F131 HydrophobicContact CG2-CD1 3.87Å; V29-F131 HydrophobicContact CG2-CE1 3.79Å; I66-F131 HydrophobicContact CD1-CB 4.21Å; I66-F131 HydrophobicContact CD1-CD1 3.76Å; I66-F131 HydrophobicContact CD1-CD2 4.08Å; I66-F131 HydrophobicContact CD1-CE1 4.05Å; I66-F131 HydrophobicContact CD1-CE2 4.34Å; I66-F131 HydrophobicContact CD1-CG 3.77Å; I66-F131 HydrophobicContact CD1-CZ 4.32Å; S129-F131 PolarHBondContact OG-N 3.2Å; S129-F131 VanDerWaalsContact OG-N 3.09Å; F131-I138 HydrophobicContact CB-CB 3.85Å; F131-I138 PolarHBondContact O-N 2.93Å; F131-H140 AromaticContact CD2-CD2 3.99Å; F131-H140 AromaticContact CD2-CE1 3.67Å; F131-H140 AromaticContact CD2-NE2 3.65Å; F131-H140 AromaticContact CE2-CE1 3.3Å; F131-H140 WeakPolarHBondContact CE2-CE1 3.32Å; F131-H140 AromaticContact CE2-ND1 3.48Å; F131-H140 WeakPolarHBondContact CE2-ND1 3.4Å; F131-H140 AromaticContact CE2-NE2 3.8Å; F131-Y150 WeakPolarHBondContact CE1-O 3.18Å
132T98.7Very high95Very high46 Ų4643.3 Ų43.328%0.28227%0.268SS..EExtended strand (participates in β ladder)trans-130.2141.1170-53.10000109.1V27 E28 K136V27-T132 WeakPolarHBondContact CA-O 3.43Å; E28-T132 PolarHBondContact N-O 3.09Å; E28-T132 PolarHBondContact O-N 3.23Å; T132-K136 CarbonylContact C-O 3.47Å; T132-K136 VanDerWaalsContact CA-O 3.3Å; T132-K136 WeakPolarHBondContact CA-O 3.33Å; T132-K136 WeakPolarHBondContact CG2-O 3.17Å
133C98.6Very high94.9Very high2 Ų242.1 Ų42.11%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-134.6123.8170.8-168.40000108.7I14 W16 E26 V27 G135 K136 I138I14-C133 HydrophobicContact CD1-CB 3.76Å; I14-C133 VanDerWaalsContact CD1-SG 3.58Å; W16-C133 HydrophobicContact CH2-CB 4.35Å; W16-C133 HydrophobicContact CZ2-CB 4.47Å; E26-C133 PolarHBondContact O-SG 3.4Å; E26-C133 VanDerWaalsContact O-SG 3.4Å; V27-C133 HydrophobicContact CG1-CB 4.08Å; C133-G135 PolarHBondContact O-N 3.46Å; C133-K136 PolarHBondContact N-O 3.09Å; C133-K136 WeakPolarHBondContact O-CB 3.29Å; C133-K136 PolarHBondContact O-N 2.91Å; C133-I138 HydrophobicContact CB-CD1 3.82Å; C133-I138 HydrophobicContact CB-CG1 3.78Å
134N95.9Very high95.1Very high131 Ų13141 Ų4170%0.70126%0.257SS*.THydrogen-bonded Turntrans50.643.2-179.7-59.1-41.6000113.2E25 K136E25-N134 PolarHBondContact OE2-ND2 2.69Å; N134-K136 PolarHBondContact O-N 2.87Å
135G95.6Very high95.3Very high73 Ų7340.5 Ų40.575%0.75325%0.254SS*.THydrogen-bonded Turntrans73.71.6-178.300000115.6C133C133-G135 PolarHBondContact O-N 3.46Å
136K97.4Very high95.7Very high128 Ų12836 Ų3656%0.55722%0.222SC*.EExtended strand (participates in β ladder)trans-101.8134176.8-62.9-179.3-178.5176.30111W16 T132 C133 N134W16-K136 HydrophobicContact CH2-CD 4.48Å; W16-K136 HydrophobicContact CZ3-CD 4.12Å; T132-K136 CarbonylContact C-O 3.47Å; T132-K136 VanDerWaalsContact CA-O 3.3Å; T132-K136 WeakPolarHBondContact CA-O 3.33Å; T132-K136 WeakPolarHBondContact CG2-O 3.17Å; C133-K136 PolarHBondContact N-O 3.09Å; C133-K136 WeakPolarHBondContact O-CB 3.29Å; C133-K136 PolarHBondContact O-N 2.91Å; N134-K136 PolarHBondContact O-N 2.87Å
137S97.5Very high96Very high61 Ų6132.8 Ų32.843%0.42721%0.205SC..EExtended strand (participates in β ladder)trans-64.6133.4171.7-176.20000110.5S129S129-S137 WeakPolarHBondContact CB-OG 3.42Å
138I98.4Very high96.3Very high0 Ų030.6 Ų30.60%018%0.183CC..EExtended strand (participates in β ladder)trans-111128.8176.3-48.5-57.7000108.6I14 W16 P64 I66 S129 F131 C133I14-I138 HydrophobicContact CD1-CD1 4.5Å; I14-I138 HydrophobicContact CD1-CG1 4.5Å; I14-I138 HydrophobicContact CG2-CD1 4.44Å; I14-I138 HydrophobicContact CG2-CG2 4.16Å; W16-I138 HydrophobicContact CH2-CD1 3.99Å; W16-I138 HydrophobicContact CZ3-CD1 4.16Å; P64-I138 HydrophobicContact CB-CD1 3.86Å; P64-I138 HydrophobicContact CG-CD1 3.37Å; I66-I138 HydrophobicContact CD1-CG2 4.16Å; I66-I138 HydrophobicContact CG1-CG2 3.87Å; S129-I138 WeakPolarHBondContact CB-O 3.33Å; S129-I138 PolarHBondContact OG-O 2.9Å; F131-I138 HydrophobicContact CB-CB 3.85Å; F131-I138 PolarHBondContact O-N 2.93Å; C133-I138 HydrophobicContact CB-CD1 3.82Å; C133-I138 HydrophobicContact CB-CG1 3.78Å
139Y97.4Very high96.4Very high68 Ų6830.4 Ų30.427%0.26718%0.178SC..BIsolated β-bridgetrans-74.8148.9-176.7-67.6-76.2000112.8L62 P64 T65 I66 Q122 L123L62-Y139 HydrophobicContact CB-CD1 3.95Å; L62-Y139 HydrophobicContact CB-CD2 3.46Å; L62-Y139 VanDerWaalsContact CB-CD2 3.46Å; L62-Y139 HydrophobicContact CB-CE1 4.19Å; L62-Y139 HydrophobicContact CB-CE2 3.75Å; L62-Y139 HydrophobicContact CB-CG 3.58Å; L62-Y139 HydrophobicContact CD1-CD1 3.73Å; L62-Y139 HydrophobicContact CD1-CE1 3.57Å; L62-Y139 HydrophobicContact CD1-CE2 4.49Å; L62-Y139 HydrophobicContact CD1-CG 4.26Å; P64-Y139 VanDerWaalsContact O-CD2 3.3Å; P64-Y139 WeakPolarHBondContact O-CD2 3.09Å; P64-Y139 PolarHBondContact O-N 3.45Å; T65-Y139 VanDerWaalsContact CA-O 3.29Å; T65-Y139 WeakPolarHBondContact CA-O 3.43Å; T65-Y139 PolarHBondContact OG1-O 2.65Å; I66-Y139 PolarHBondContact N-O 2.82Å; I66-Y139 VanDerWaalsContact N-O 3.13Å; Q122-Y139 HydrophobicContact CB-CD1 4.45Å; L123-Y139 HydrophobicContact CD2-CD1 3.82Å; L123-Y139 HydrophobicContact CD2-CE1 3.97Å; L123-Y139 HydrophobicContact CG-CD1 4.29Å; L123-Y139 HydrophobicContact CG-CE1 4.47Å
140H96.4Very high96.5Very high2 Ų231.4 Ų31.41%0.00918%0.179CC..  trans-72.5170.4169.3-71.2-105.2000111.2T65 Q122 S129 R130 F131 S145 V152T65-H140 PolarHBondContact OG1-O 2.95Å; Q122-H140 VanDerWaalsContact CA-O 3.24Å; Q122-H140 WeakPolarHBondContact CA-O 3.14Å; Q122-H140 PolarHBondContact O-N 3.16Å; S129-H140 PolarHBondContact OG-CD2 2.92Å; R130-H140 PolarHBondContact N-NE2 3.4Å; F131-H140 AromaticContact CD2-CD2 3.99Å; F131-H140 AromaticContact CD2-CE1 3.67Å; F131-H140 AromaticContact CD2-NE2 3.65Å; F131-H140 AromaticContact CE2-CE1 3.3Å; F131-H140 WeakPolarHBondContact CE2-CE1 3.32Å; F131-H140 AromaticContact CE2-ND1 3.48Å; F131-H140 WeakPolarHBondContact CE2-ND1 3.4Å; F131-H140 AromaticContact CE2-NE2 3.8Å; H140-S145 VanDerWaalsContact CA-OG 3.23Å; H140-S145 WeakPolarHBondContact CA-OG 3.37Å; H140-V152 PolarHBondContact CE1-O 3.07Å
141F93.8Very high96.6Very high24 Ų2431.1 Ų31.111%0.10518%0.178CC..  trans-137.2129.5174.4173.8-109.3000109.8T49 E50 I53 L61 I66 L67 H69 N143 T144 S145T49-F141 HydrophobicContact CG2-CZ 4.37Å; E50-F141 WeakPolarHBondContact OE1-CE1 3.46Å; I53-F141 HydrophobicContact CD1-CD2 4.3Å; I53-F141 HydrophobicContact CD1-CE1 4.38Å; I53-F141 HydrophobicContact CD1-CE2 3.27Å; I53-F141 HydrophobicContact CD1-CZ 3.32Å; L61-F141 HydrophobicContact CD1-CD2 3.84Å; L61-F141 HydrophobicContact CD1-CE2 4.41Å; I66-F141 VanDerWaalsContact O-CB 3.23Å; I66-F141 WeakPolarHBondContact O-CB 3.29Å; L67-F141 HydrophobicContact CB-CD1 4.28Å; L67-F141 HydrophobicContact CD2-CB 3.92Å; L67-F141 HydrophobicContact CD2-CD1 4.19Å; L67-F141 HydrophobicContact CD2-CD2 3.76Å; L67-F141 HydrophobicContact CD2-CE2 4.36Å; L67-F141 HydrophobicContact CD2-CG 3.66Å; H69-F141 HydrophobicContact CB-CD1 4.48Å; H69-F141 HydrophobicContact CB-CE1 4.11Å; H69-F141 AromaticContact ND1-CE1 3.93Å; F141-N143 PolarHBondContact O-N 3.4Å; F141-T144 PolarHBondContact O-N 3.1Å; F141-T144 PolarHBondContact O-OG1 3.32Å; F141-T144 VanDerWaalsContact O-OG1 3.11Å; F141-S145 PolarHBondContact N-OG 3.15Å; F141-S145 PolarHBondContact O-N 2.91Å; F141-S145 VanDerWaalsContact O-N 3.15Å
142G86.4Confident96.6Very high17 Ų1731.1 Ų31.118%0.17518%0.178CC..THydrogen-bonded Turntrans52.434.6170.300000114.5F95 P121 T144F95-G142 VanDerWaalsContact CA-O 3.27Å; F95-G142 WeakPolarHBondContact CA-O 3.41Å; F95-G142 WeakPolarHBondContact CB-O 3.43Å; P121-G142 PolarHBondContact O-N 2.96Å; G142-T144 WeakPolarHBondContact O-CG2 3.44Å; G142-T144 PolarHBondContact O-N 3.48Å; G142-T144 VanDerWaalsContact O-N 3.13Å; G142-T144 PolarHBondContact O-OG1 2.83Å; G142-T144 VanDerWaalsContact O-OG1 3.05Å
143N86.5Confident96.5Very high10 Ų1029 Ų295%0.05317%0.165CC..THydrogen-bonded Turntrans56.520.4-174.6-57.3-64.2000115.4P121 F141 I153 K154P121-N143 PolarHBondContact O-N 3.49Å; F141-N143 PolarHBondContact O-N 3.4Å; N143-I153 WeakPolarHBondContact O-CB 3.3Å; N143-I153 VanDerWaalsContact O-CG2 3.27Å; N143-I153 WeakPolarHBondContact O-CG2 3.42Å; N143-K154 PolarHBondContact OD1-NZ 2.69Å
144T95.8Very high96.4Very high0 Ų029.3 Ų29.30%017%0.166CC..THydrogen-bonded Turntrans-136.1-62.3-167.145.50000113.6G68 H69 F95 F141 G142 T151 I153G68-T144 PolarHBondContact O-OG1 3.05Å; H69-T144 VanDerWaalsContact CA-OG1 3.24Å; H69-T144 WeakPolarHBondContact CA-OG1 3.42Å; H69-T144 VanDerWaalsContact CB-OG1 3.26Å; H69-T144 WeakPolarHBondContact CB-OG1 3.27Å; F95-T144 HydrophobicContact CB-CG2 4.26Å; F141-T144 PolarHBondContact O-N 3.1Å; F141-T144 PolarHBondContact O-OG1 3.32Å; F141-T144 VanDerWaalsContact O-OG1 3.11Å; G142-T144 WeakPolarHBondContact O-CG2 3.44Å; G142-T144 PolarHBondContact O-N 3.48Å; G142-T144 VanDerWaalsContact O-N 3.13Å; G142-T144 PolarHBondContact O-OG1 2.83Å; G142-T144 VanDerWaalsContact O-OG1 3.05Å; T144-T151 PolarHBondContact O-OG1 2.73Å; T144-I153 WeakPolarHBondContact O-CG2 3.37Å
145S98Very high96.5Very high0 Ų023.7 Ų23.70%014%0.136CC..  trans51.357.8179.8-72.90000114.3I66 L67 G68 H140 F141 F147I66-S145 WeakPolarHBondContact O-CB 3.44Å; I66-S145 PolarHBondContact O-OG 2.74Å; L67-S145 CarbonylContact O-C 3.57Å; L67-S145 WeakPolarHBondContact O-CA 3.48Å; G68-S145 WeakPolarHBondContact O-CA 3.46Å; G68-S145 PolarHBondContact O-N 2.99Å; G68-S145 VanDerWaalsContact O-N 3.08Å; H140-S145 VanDerWaalsContact CA-OG 3.23Å; H140-S145 WeakPolarHBondContact CA-OG 3.37Å; F141-S145 PolarHBondContact N-OG 3.15Å; F141-S145 PolarHBondContact O-N 2.91Å; F141-S145 VanDerWaalsContact O-N 3.15Å; S145-F147 VanDerWaalsContact C-N 3.35Å; S145-F147 PolarHBondContact O-N 3.25Å
146T98.7Very high96.5Very high0 Ų021.9 Ų21.90%011%0.108CC..  trans-84-3.4-17161.90000114.6T44 L67 G68 H69 T93 S148T44-T146 WeakPolarHBondContact OG1-CB 3.47Å; T44-T146 PolarHBondContact OG1-OG1 2.92Å; L67-T146 PolarHBondContact O-N 3.15Å; L67-T146 VanDerWaalsContact O-N 3.16Å; G68-T146 WeakPolarHBondContact CA-OG1 3.48Å; G68-T146 PolarHBondContact O-N 2.93Å; G68-T146 PolarHBondContact O-OG1 2.9Å; H69-T146 PolarHBondContact N-OG1 2.62Å; T93-T146 HydrophobicContact CG2-CG2 3.86Å; T146-S148 PolarHBondContact O-N 3.38Å
147F98.8Very high96.5Very high0 Ų015.8 Ų15.80%08%0.082CC..SBendtrans-82.344.3172.1-61.3-14.9000112.4A12 A13 F22 T44 L46 E50 I66 L67 S145 L352 I355 L372A12-F147 CarbonylContact C-O 3.57Å; A12-F147 WeakPolarHBondContact CA-O 3.27Å; A13-F147 HydrophobicContact CB-CB 4.08Å; A13-F147 PolarHBondContact N-O 3.34Å; F22-F147 HydrophobicContact CE1-CD2 4.06Å; F22-F147 HydrophobicContact CE1-CE2 4.32Å; F22-F147 HydrophobicContact CE2-CE2 4.41Å; F22-F147 HydrophobicContact CZ-CD2 4.03Å; F22-F147 AromaticContact CZ-CE2 3.83Å; F22-F147 HydrophobicContact CZ-CE2 3.83Å; T44-F147 HydrophobicContact CG2-CD1 3.66Å; T44-F147 HydrophobicContact CG2-CE1 3.88Å; L46-F147 HydrophobicContact CD1-CE2 4.22Å; L46-F147 HydrophobicContact CD1-CZ 3.72Å; E50-F147 HydrophobicContact CG-CE2 3.83Å; E50-F147 HydrophobicContact CG-CZ 3.88Å; I66-F147 HydrophobicContact CG2-CB 4.19Å; L67-F147 HydrophobicContact CB-CD2 3.74Å; L67-F147 HydrophobicContact CB-CE2 3.87Å; L67-F147 WeakPolarHBondContact O-CB 3.16Å; L67-F147 WeakPolarHBondContact O-CG 3.3Å; L67-F147 PolarHBondContact O-N 3.36Å; S145-F147 VanDerWaalsContact C-N 3.35Å; S145-F147 PolarHBondContact O-N 3.25Å; F147-L352 HydrophobicContact CB-CD1 4.28Å; F147-I355 HydrophobicContact CB-CD1 4.45Å; F147-I355 HydrophobicContact CD1-CD1 4.32Å; F147-I355 HydrophobicContact CD2-CD1 3.46Å; F147-I355 VanDerWaalsContact CD2-CD1 3.46Å; F147-I355 HydrophobicContact CE1-CD1 4.46Å; F147-I355 HydrophobicContact CE2-CD1 3.63Å; F147-I355 HydrophobicContact CG-CD1 3.85Å; F147-I355 HydrophobicContact CZ-CD1 4.14Å; F147-L372 HydrophobicContact CD1-CD1 4.24Å; F147-L372 HydrophobicContact CE1-CD1 4.01Å
148S98.8Very high96.6Very high0 Ų012.9 Ų12.90%06%0.061CC..BIsolated β-bridgetrans-149.7138.9178.5176.80000109.2V41 T146 Y150 L374V41-S148 WeakPolarHBondContact CG2-O 2.97Å; T146-S148 PolarHBondContact O-N 3.38Å; S148-Y150 WeakPolarHBondContact CB-O 3.23Å; S148-Y150 PolarHBondContact O-N 3.29Å; S148-Y150 VanDerWaalsContact O-N 3.15Å; S148-Y150 PolarHBondContact OG-O 3.31Å; S148-L374 WeakPolarHBondContact O-CD2 3.5Å
149E98.8Very high96.6Very high52 Ų5213 Ų1324%0.2436%0.063CC..SBendtrans-56.3-31.8178.9-72.4-177.810400112C10 K11 K40 V41 L374C10-E149 HydrophobicContact CB-CB 3.9Å; C10-E149 WeakPolarHBondContact CB-OE2 3.44Å; K11-E149 HydrophobicContact CB-CG 4.17Å; K11-E149 VanDerWaalsContact CB-OE2 3.29Å; K11-E149 WeakPolarHBondContact CB-OE2 3.36Å; K11-E149 PolarHBondContact N-OE2 3.06Å; K11-E149 PolarHBondContact O-N 2.98Å; K40-E149 CarbonylContact C-O 3.56Å; K40-E149 WeakPolarHBondContact CA-O 3.31Å; V41-E149 PolarHBondContact N-O 3.23Å; E149-L374 HydrophobicContact CG-CB 4.3Å
150Y98.9Very high96.6Very high39 Ų3914.1 Ų14.115%0.1537%0.069CC..EExtended strand (participates in β ladder)trans-127.9139.5170.7-65.9-96.6000111.1I8 C10 I39 K40 E76 F131 S148I8-Y150 HydrophobicContact CD1-CD1 3.78Å; I8-Y150 HydrophobicContact CD1-CD2 4.5Å; I8-Y150 HydrophobicContact CD1-CE1 3.81Å; I8-Y150 HydrophobicContact CD1-CG 4.14Å; I8-Y150 HydrophobicContact CG2-CD2 3.7Å; I8-Y150 HydrophobicContact CG2-CE2 3.94Å; I8-Y150 HydrophobicContact CG2-CG 4.14Å; C10-Y150 HydrophobicContact CB-CD2 3.77Å; C10-Y150 HydrophobicContact CB-CE2 4.34Å; I39-Y150 VanDerWaalsContact O-CA 3.27Å; I39-Y150 WeakPolarHBondContact O-CA 3.37Å; K40-Y150 HydrophobicContact CB-CD1 3.98Å; K40-Y150 HydrophobicContact CB-CE1 3.53Å; K40-Y150 HydrophobicContact CD-CE1 4.26Å; K40-Y150 HydrophobicContact CG-CD1 4.39Å; K40-Y150 HydrophobicContact CG-CE1 3.78Å; K40-Y150 HydrophobicContact CG-CE2 4.37Å; E76-Y150 HydrophobicContact CB-CD1 4.4Å; E76-Y150 HydrophobicContact CB-CE1 4.1Å; E76-Y150 HydrophobicContact CG-CE1 3.97Å; F131-Y150 WeakPolarHBondContact CE1-O 3.18Å; S148-Y150 WeakPolarHBondContact CB-O 3.23Å; S148-Y150 PolarHBondContact O-N 3.29Å; S148-Y150 VanDerWaalsContact O-N 3.15Å; S148-Y150 PolarHBondContact OG-O 3.31Å
151T98.8Very high96.7Very high0 Ų014.5 Ų14.50%07%0.071CC..EExtended strand (participates in β ladder)trans-132.5152.8171.4-1730000110.8R38 I39 V41 T144 I153R38-T151 CarbonylContact C-O 3.18Å; R38-T151 VanDerWaalsContact CA-O 3.31Å; R38-T151 WeakPolarHBondContact CA-O 3.38Å; I39-T151 HydrophobicContact CB-CG2 4.25Å; I39-T151 PolarHBondContact N-O 2.72Å; I39-T151 PolarHBondContact O-N 2.61Å; V41-T151 HydrophobicContact CG2-CG2 3.83Å; T144-T151 PolarHBondContact O-OG1 2.73Å; T151-I153 HydrophobicContact CG2-CG2 4.17Å
152V98.7Very high96.9Very high0 Ų016.7 Ų16.70%08%0.084CC..EExtended strand (participates in β ladder)trans-117.3120174.3178.70000108.6V29 A30 P32 E36 V37 R38 M124 R130 H140V29-V152 HydrophobicContact CG1-CG2 3.78Å; A30-V152 WeakPolarHBondContact O-CG2 3.35Å; P32-V152 HydrophobicContact CB-CG1 4.09Å; E36-V152 HydrophobicContact CB-CG1 3.89Å; V37-V152 WeakPolarHBondContact O-CA 3.32Å; R38-V152 HydrophobicContact CB-CG2 3.91Å; R38-V152 HydrophobicContact CG-CG2 3.71Å; M124-V152 HydrophobicContact CE-CG1 4.34Å; R130-V152 HydrophobicContact CB-CB 3.83Å; R130-V152 HydrophobicContact CB-CG1 4.38Å; R130-V152 HydrophobicContact CB-CG2 4.1Å; R130-V152 HydrophobicContact CG-CB 3.75Å; R130-V152 HydrophobicContact CG-CG1 3.74Å; R130-V152 HydrophobicContact CG-CG2 4.3Å; H140-V152 PolarHBondContact CE1-O 3.07Å
153I97.5Very high97.4Very high1 Ų119.5 Ų19.51%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-133.4162.2-175.665.6175.5000111.5E36 V37 I39 T93 N143 T144 T151 S157 V158E36-I153 CarbonylContact C-O 3.56Å; E36-I153 WeakPolarHBondContact CA-O 3.43Å; V37-I153 PolarHBondContact N-O 2.71Å; V37-I153 PolarHBondContact O-N 3.21Å; I39-I153 HydrophobicContact CD1-CD1 3.61Å; I39-I153 HydrophobicContact CD1-CG1 3.83Å; T93-I153 HydrophobicContact CG2-CD1 3.9Å; N143-I153 WeakPolarHBondContact O-CB 3.3Å; N143-I153 VanDerWaalsContact O-CG2 3.27Å; N143-I153 WeakPolarHBondContact O-CG2 3.42Å; T144-I153 WeakPolarHBondContact O-CG2 3.37Å; T151-I153 HydrophobicContact CG2-CG2 4.17Å; I153-S157 WeakPolarHBondContact CD1-O 2.98Å; I153-V158 HydrophobicContact CD1-CG2 3.61Å; I153-V158 HydrophobicContact CG1-CG2 3.6Å
154K96.6Very high97.9Very high9 Ų924 Ų244%0.03913%0.133CC..EExtended strand (participates in β ladder)trans-67.5144.1179.9-59165.4-172.8143.90109.3S119 L123 M124 S125 N143 I156 S157S119-K154 PolarHBondContact OG-NZ 3.21Å; L123-K154 PolarHBondContact O-NZ 3.31Å; M124-K154 HydrophobicContact CE-CG 3.94Å; S125-K154 WeakPolarHBondContact OG-CE 3.42Å; N143-K154 PolarHBondContact OD1-NZ 2.69Å; K154-I156 HydrophobicContact CB-CG1 3.88Å; K154-I156 PolarHBondContact O-N 2.95Å; K154-I156 VanDerWaalsContact O-N 3.14Å; K154-S157 WeakPolarHBondContact O-CA 3.49Å; K154-S157 WeakPolarHBondContact O-CB 3.3Å; K154-S157 PolarHBondContact O-N 3.04Å
155E97.5Very high98Very high13 Ų1324 Ų246%0.06113%0.133CC..G310 helixtrans-53.6-37.3177.3179.7178.7-15600112.4K35 V37 V82 S83 T84 S157 V158K35-E155 IonicContact NZ-OE2 3.87Å; K35-E155 WeakPolarHBondContact O-CB 3.22Å; K35-E155 PolarHBondContact O-N 3.22Å; V37-E155 HydrophobicContact CG2-CB 4.38Å; V82-E155 HydrophobicContact CG1-CG 4.23Å; V82-E155 HydrophobicContact CG2-CB 4.32Å; S83-E155 PolarHBondContact N-OE1 2.71Å; T84-E155 WeakPolarHBondContact CB-OE1 3.19Å; T84-E155 WeakPolarHBondContact CG2-OE1 3.44Å; T84-E155 PolarHBondContact N-OE1 3.03Å; T84-E155 VanDerWaalsContact OG1-CG 3.22Å; T84-E155 WeakPolarHBondContact OG1-CG 3.43Å; T84-E155 PolarHBondContact OG1-OE1 3.33Å; E155-S157 PolarHBondContact O-N 2.83Å; E155-S157 VanDerWaalsContact O-N 3.13Å; E155-V158 PolarHBondContact O-N 3.4Å; E155-V158 VanDerWaalsContact O-N 3.11Å
156I96.9Very high98.1Very high35 Ų3526 Ų2618%0.17915%0.146CC..G310 helixtrans-67.4-9177.762.4172.4000114.1P97 Q98 C99 Q115 K154 R325P97-I156 CarbonylContact C-O 3.53Å; P97-I156 WeakPolarHBondContact CA-O 3.5Å; P97-I156 HydrophobicContact CB-CB 4.29Å; P97-I156 HydrophobicContact CB-CD1 3.87Å; P97-I156 HydrophobicContact CB-CG1 3.86Å; P97-I156 WeakPolarHBondContact CB-O 3.41Å; Q98-I156 PolarHBondContact N-O 3.16Å; C99-I156 HydrophobicContact CB-CG2 4.25Å; Q115-I156 HydrophobicContact CB-CD1 4Å; Q115-I156 HydrophobicContact CG-CD1 3.98Å; K154-I156 HydrophobicContact CB-CG1 3.88Å; K154-I156 PolarHBondContact O-N 2.95Å; K154-I156 VanDerWaalsContact O-N 3.14Å; I156-R325 WeakPolarHBondContact O-CD 3.22Å
157S97.3Very high98.1Very high0 Ų026.5 Ų26.50%015%0.149CC..G310 helixtrans-107.617.7176.2-77.60000112.2L94 I153 K154 E155L94-S157 WeakPolarHBondContact CB-O 3.48Å; L94-S157 PolarHBondContact N-O 3Å; L94-S157 VanDerWaalsContact O-CB 3.27Å; L94-S157 WeakPolarHBondContact O-CB 3.36Å; L94-S157 PolarHBondContact O-OG 3.46Å; L94-S157 VanDerWaalsContact O-OG 3.09Å; I153-S157 WeakPolarHBondContact CD1-O 2.98Å; K154-S157 WeakPolarHBondContact O-CA 3.49Å; K154-S157 WeakPolarHBondContact O-CB 3.3Å; K154-S157 PolarHBondContact O-N 3.04Å; E155-S157 PolarHBondContact O-N 2.83Å; E155-S157 VanDerWaalsContact O-N 3.13Å
158V97.9Very high98Very high0 Ų029.3 Ų29.30%016%0.163CC..EExtended strand (participates in β ladder)trans-125.5135.9178.2-173.80000110.4V37 I39 V85 V91 I153 E155 R325V37-V158 HydrophobicContact CB-CG2 4.14Å; V37-V158 HydrophobicContact CG1-CG2 4.47Å; V37-V158 HydrophobicContact CG2-CG2 4.25Å; I39-V158 HydrophobicContact CD1-CG1 4.45Å; I39-V158 HydrophobicContact CD1-CG2 4.03Å; V85-V158 HydrophobicContact CG1-CG1 3.97Å; V91-V158 HydrophobicContact CB-CG1 3.69Å; V91-V158 HydrophobicContact CG1-CG1 3.55Å; V91-V158 HydrophobicContact CG2-CG1 4.25Å; I153-V158 HydrophobicContact CD1-CG2 3.61Å; I153-V158 HydrophobicContact CG1-CG2 3.6Å; E155-V158 PolarHBondContact O-N 3.4Å; E155-V158 VanDerWaalsContact O-N 3.11Å; V158-R325 PolarHBondContact O-NE 2.95Å; V158-R325 VanDerWaalsContact O-NE 3.1Å
159A98.4Very high98Very high3 Ų331.6 Ų31.63%0.02517%0.173CC..EExtended strand (participates in β ladder)trans-120127.616700000110.6V91 I92 L94 P329V91-A159 CarbonylContact C-O 3.54Å; V91-A159 WeakPolarHBondContact CA-O 3.18Å; V91-A159 WeakPolarHBondContact CB-O 3.21Å; I92-A159 PolarHBondContact N-O 3.08Å; I92-A159 PolarHBondContact O-N 2.93Å; I92-A159 VanDerWaalsContact O-N 3.11Å; L94-A159 HydrophobicContact CD1-CB 3.86Å; L94-A159 HydrophobicContact CD2-CB 4.41Å; L94-A159 HydrophobicContact CG-CB 4.32Å; A159-P329 HydrophobicContact CB-CG 4.02Å
160K98.8Very high98Very high91 Ų9129.1 Ų29.140%0.39616%0.162SC..EExtended strand (participates in β ladder)trans-67.7138.3166.8-178.8174.6178.9153.10110V85 D89 P329V85-K160 HydrophobicContact CG1-CB 4.18Å; D89-K160 HydrophobicContact CB-CG 4.47Å; D89-K160 IonicContact OD1-NZ 3Å; D89-K160 PolarHBondContact OD1-NZ 3.15Å; D89-K160 WeakPolarHBondContact OD2-CD 3.15Å; D89-K160 WeakPolarHBondContact OD2-CE 3.43Å; D89-K160 IonicContact OD2-NZ 2.88Å; D89-K160 PolarHBondContact OD2-NZ 3.15Å; K160-P329 WeakPolarHBondContact O-CB 3.48Å; K160-P329 VanDerWaalsContact O-CG 3.29Å; K160-P329 WeakPolarHBondContact O-CG 3.38Å
161I98.7Very high98Very high11 Ų1127.2 Ų27.26%0.05615%0.154CC..  trans-127.9178.2178.561.3159.8000110.9K90 I92 A163 A165 L167 V170 V332K90-I161 HydrophobicContact CB-CD1 4.3Å; K90-I161 HydrophobicContact CB-CG1 3.87Å; K90-I161 WeakPolarHBondContact O-CG1 3.45Å; K90-I161 PolarHBondContact O-N 3.05Å; I92-I161 HydrophobicContact CB-CG2 4.3Å; I92-I161 HydrophobicContact CD1-CD1 4.23Å; I92-I161 HydrophobicContact CD1-CG2 4.1Å; I92-I161 HydrophobicContact CG1-CD1 4.02Å; I92-I161 HydrophobicContact CG1-CG2 4.17Å; I161-A163 PolarHBondContact O-N 3.11Å; I161-A165 HydrophobicContact CD1-CB 4.03Å; I161-L167 HydrophobicContact CD1-CD2 3.83Å; I161-V170 HydrophobicContact CD1-CG2 3.77Å; I161-V332 HydrophobicContact CB-CB 4.41Å; I161-V332 HydrophobicContact CB-CG1 4.16Å; I161-V332 HydrophobicContact CB-CG2 4.26Å; I161-V332 HydrophobicContact CD1-CG1 4.43Å; I161-V332 HydrophobicContact CG2-CB 4.36Å; I161-V332 HydrophobicContact CG2-CG2 3.82Å
162D96.9Very high98Very high69 Ų6927.3 Ų27.337%0.36916%0.155SC..  trans-55.3133.4177.4-166.6-47.9000111.4V164 A165 V332 M336D162-V164 PolarHBondContact O-N 2.79Å; D162-V164 WeakPolarHBondContact OD1-CG2 3.21Å; D162-V164 PolarHBondContact OD1-N 2.87Å; D162-A165 HydrophobicContact CB-CB 4.24Å; D162-A165 WeakPolarHBondContact O-CB 3.22Å; D162-A165 PolarHBondContact O-N 3.21Å; D162-V332 HydrophobicContact CB-CG1 4.47Å; D162-M336 HydrophobicContact CB-CG 4.36Å
163A97.7Very high98Very high76 Ų7627.3 Ų27.363%0.62816%0.155SC*.THydrogen-bonded Turntrans-65.4-22.9-178.300000113.3K90 I161K90-A163 WeakPolarHBondContact CD-O 3.4Å; K90-A163 WeakPolarHBondContact CE-O 3.09Å; K90-A163 PolarHBondContact NZ-O 2.71Å; I161-A163 PolarHBondContact O-N 3.11Å
164V97.4Very high98Very high106 Ų10627.2 Ų27.264%0.64215%0.154SC*.THydrogen-bonded Turntrans-97-3.3177.5-60.90000113.6D162 M336D162-V164 PolarHBondContact O-N 2.79Å; D162-V164 WeakPolarHBondContact OD1-CG2 3.21Å; D162-V164 PolarHBondContact OD1-N 2.87Å; V164-M336 HydrophobicContact CG2-CE 3.95Å
165A98.2Very high98Very high0 Ų027.2 Ų27.20%016%0.155CC..  trans-57.6134.5-178.200000113.2K90 I161 D162 L167 V170 V332 M336K90-A165 PolarHBondContact NZ-O 3.25Å; I161-A165 HydrophobicContact CD1-CB 4.03Å; D162-A165 HydrophobicContact CB-CB 4.24Å; D162-A165 WeakPolarHBondContact O-CB 3.22Å; D162-A165 PolarHBondContact O-N 3.21Å; A165-L167 PolarHBondContact O-N 2.92Å; A165-V170 HydrophobicContact CB-CG1 4.22Å; A165-V170 HydrophobicContact CB-CG2 4.19Å; A165-V332 HydrophobicContact CB-CG1 3.9Å; A165-M336 HydrophobicContact CB-SD 3.98Å
166P98.4Very high98Very high41 Ų4126.6 Ų26.627%0.26615%0.152SC..  trans-75.2105.6175.729.6-32.4000110D168 K169 V170 Y335P166-D168 PolarHBondContact O-N 3.31Å; P166-K169 HydrophobicContact CB-CB 4.43Å; P166-K169 HydrophobicContact CB-CG 4Å; P166-K169 HydrophobicContact CG-CB 4.08Å; P166-K169 HydrophobicContact CG-CG 3.95Å; P166-K169 PolarHBondContact O-N 3.1Å; P166-V170 WeakPolarHBondContact O-CG2 3.24Å; P166-V170 PolarHBondContact O-N 3.13Å; P166-Y335 HydrophobicContact CG-CE1 3.67Å
167L98.7Very high98.1Very high11 Ų1125 Ų256%0.05814%0.144CC..Hα-helixtrans-63.6-28.7-170.4-64.4-176.3000113.4V42 A72 I74 K90 I161 A165 K169 V170 C171V42-L167 HydrophobicContact CB-CB 4.15Å; V42-L167 HydrophobicContact CB-CD1 3.73Å; V42-L167 HydrophobicContact CG1-CB 3.99Å; V42-L167 HydrophobicContact CG1-CD1 4.07Å; V42-L167 HydrophobicContact CG2-CD1 3.69Å; A72-L167 HydrophobicContact CB-CB 4.25Å; A72-L167 HydrophobicContact CB-CD2 3.95Å; I74-L167 HydrophobicContact CG1-CD1 4.08Å; K90-L167 HydrophobicContact CB-CD2 4.23Å; K90-L167 HydrophobicContact CD-CD1 4.22Å; K90-L167 HydrophobicContact CD-CD2 3.8Å; K90-L167 HydrophobicContact CD-CG 4.03Å; K90-L167 HydrophobicContact CG-CD1 4.24Å; K90-L167 HydrophobicContact CG-CD2 4.16Å; I161-L167 HydrophobicContact CD1-CD2 3.83Å; A165-L167 PolarHBondContact O-N 2.92Å; L167-K169 PolarHBondContact O-N 3.15Å; L167-V170 HydrophobicContact CD2-CG2 4.17Å; L167-C171 WeakPolarHBondContact O-CB 3.26Å; L167-C171 PolarHBondContact O-N 3.36Å
168D98.3Very high98.2Very high58 Ų5825 Ų2531%0.3114%0.144SC..Hα-helixtrans-70.6-10174.666.1-46.3000114A43 P166 I371 I373A43-D168 HydrophobicContact CB-CB 4.17Å; P166-D168 PolarHBondContact O-N 3.31Å; D168-I371 HydrophobicContact CB-CG2 4.41Å; D168-I373 HydrophobicContact CB-CD1 3.82Å
169K98.4Very high98.2Very high48 Ų4825.5 Ų25.521%0.20915%0.147CC..Hα-helixtrans-107.9-53.5175-51.1-61.7-173.7153.70111P166 L167 C171 L172 Y335 L342 D343 I346P166-K169 HydrophobicContact CB-CB 4.43Å; P166-K169 HydrophobicContact CB-CG 4Å; P166-K169 HydrophobicContact CG-CB 4.08Å; P166-K169 HydrophobicContact CG-CG 3.95Å; P166-K169 PolarHBondContact O-N 3.1Å; L167-K169 PolarHBondContact O-N 3.15Å; K169-C171 PolarHBondContact O-N 2.89Å; K169-C171 VanDerWaalsContact O-N 3.15Å; K169-L172 PolarHBondContact O-N 3.03Å; K169-L172 VanDerWaalsContact O-N 3.15Å; K169-Y335 HydrophobicContact CB-CE1 4.36Å; K169-L342 WeakPolarHBondContact O-CD1 3.33Å; K169-D343 WeakPolarHBondContact CD-OD1 3.42Å; K169-D343 VanDerWaalsContact CE-OD1 3.32Å; K169-D343 WeakPolarHBondContact CE-OD1 3.44Å; K169-D343 IonicContact NZ-OD1 3.1Å; K169-D343 PolarHBondContact NZ-OD1 3.12Å; K169-I346 HydrophobicContact CD-CD1 3.33Å
170V98.4Very high98.2Very high0 Ų025.4 Ų25.40%015%0.146CC..Hα-helixtrans-71.1-12.1-172.5-56.60000113A72 I92 I161 A165 P166 L167 L172 I173 V332 Y335A72-V170 HydrophobicContact CB-CG2 4.47Å; I92-V170 HydrophobicContact CD1-CB 4.23Å; I92-V170 HydrophobicContact CD1-CG2 4.19Å; I92-V170 VanDerWaalsContact CD1-O 3.25Å; I92-V170 WeakPolarHBondContact CD1-O 3.43Å; I161-V170 HydrophobicContact CD1-CG2 3.77Å; A165-V170 HydrophobicContact CB-CG1 4.22Å; A165-V170 HydrophobicContact CB-CG2 4.19Å; P166-V170 WeakPolarHBondContact O-CG2 3.24Å; P166-V170 PolarHBondContact O-N 3.13Å; L167-V170 HydrophobicContact CD2-CG2 4.17Å; V170-L172 PolarHBondContact O-N 2.84Å; V170-I173 HydrophobicContact CB-CD1 4.2Å; V170-I173 HydrophobicContact CG1-CD1 4.32Å; V170-I173 VanDerWaalsContact O-CB 3.29Å; V170-I173 WeakPolarHBondContact O-CB 3.38Å; V170-I173 PolarHBondContact O-N 3.13Å; V170-V332 HydrophobicContact CB-CG2 4.33Å; V170-V332 HydrophobicContact CG1-CG1 4.14Å; V170-Y335 HydrophobicContact CG1-CD1 3.55Å; V170-Y335 HydrophobicContact CG1-CE1 3.76Å; V170-Y335 HydrophobicContact CG1-CG 4.42Å
171C98.4Very high98.2Very high0 Ų022 Ų220%013%0.132CC..G310 helixtrans-55.5-29.9169.265.10000112.4A43 E70 A72 L167 K169 I173 S174A43-C171 HydrophobicContact CB-CB 4.48Å; E70-C171 WeakPolarHBondContact CG-O 3.23Å; A72-C171 HydrophobicContact CB-CB 3.85Å; L167-C171 WeakPolarHBondContact O-CB 3.26Å; L167-C171 PolarHBondContact O-N 3.36Å; K169-C171 PolarHBondContact O-N 2.89Å; K169-C171 VanDerWaalsContact O-N 3.15Å; C171-I173 PolarHBondContact O-N 3.4Å; C171-S174 WeakPolarHBondContact O-CB 3.3Å; C171-S174 PolarHBondContact O-N 2.93Å
172L98.4Very high98.2Very high1 Ų121.5 Ų21.51%0.00513%0.129CC..G310 helixtrans-62.6-26.4175.2-63.7-172.7000113.6E70 K169 V170 S174 C175 G176 F177 L342 L345 I346 R369 I371E70-L172 WeakPolarHBondContact OE1-CD2 3.41Å; K169-L172 PolarHBondContact O-N 3.03Å; K169-L172 VanDerWaalsContact O-N 3.15Å; V170-L172 PolarHBondContact O-N 2.84Å; L172-S174 PolarHBondContact O-N 2.94Å; L172-C175 CarbonylContact O-C 3.58Å; L172-C175 PolarHBondContact O-N 3.13Å; L172-G176 PolarHBondContact O-N 3.26Å; L172-F177 HydrophobicContact CB-CB 4.26Å; L172-F177 WeakPolarHBondContact O-CB 3.4Å; L172-F177 PolarHBondContact O-N 3.38Å; L172-L342 HydrophobicContact CD1-CB 4.39Å; L172-L345 HydrophobicContact CD1-CB 3.91Å; L172-L345 HydrophobicContact CD1-CD1 4.4Å; L172-I346 HydrophobicContact CD1-CD1 4.13Å; L172-I346 HydrophobicContact CD1-CG1 3.6Å; L172-I346 HydrophobicContact CG-CG1 4.45Å; L172-R369 HydrophobicContact CD2-CB 4.02Å; L172-R369 HydrophobicContact CD2-CG 3.75Å; L172-I371 HydrophobicContact CD2-CD1 3.56Å; L172-I371 HydrophobicContact CG-CD1 4.09Å
173I98.5Very high98.3Very high0 Ų018.2 Ų18.20%011%0.111CC..G310 helixtrans-69.7-21176.2-58.4176.5000110.3I92 V170 C171 C175 F177 S178 I328 L331 V332 L342I92-I173 HydrophobicContact CD1-CB 4.21Å; V170-I173 HydrophobicContact CB-CD1 4.2Å; V170-I173 HydrophobicContact CG1-CD1 4.32Å; V170-I173 VanDerWaalsContact O-CB 3.29Å; V170-I173 WeakPolarHBondContact O-CB 3.38Å; V170-I173 PolarHBondContact O-N 3.13Å; C171-I173 PolarHBondContact O-N 3.4Å; I173-C175 PolarHBondContact O-N 3.21Å; I173-F177 HydrophobicContact CG1-CD1 4.02Å; I173-S178 WeakPolarHBondContact CA-OG 3.46Å; I173-S178 WeakPolarHBondContact CG2-OG 3.48Å; I173-S178 WeakPolarHBondContact O-CB 3.3Å; I173-S178 PolarHBondContact O-OG 3.16Å; I173-I328 HydrophobicContact CG2-CD1 4.07Å; I173-I328 HydrophobicContact CG2-CG2 3.87Å; I173-L331 HydrophobicContact CG2-CB 3.84Å; I173-L331 HydrophobicContact CG2-CD2 4.29Å; I173-V332 HydrophobicContact CD1-CB 4.42Å; I173-V332 HydrophobicContact CD1-CG2 3.8Å; I173-V332 HydrophobicContact CG2-CG2 4.34Å; I173-L342 HydrophobicContact CD1-CD1 3.9Å; I173-L342 HydrophobicContact CG1-CD1 3.82Å; I173-L342 HydrophobicContact CG1-CD2 4.39Å
174S97.5Very high98.4Very high0 Ų014.6 Ų14.60%08%0.081CC..G310 helixtrans-64.4-21175-172.40000113.8H69 G71 T93 C171 L172 F319H69-S174 PolarHBondContact O-OG 2.8Å; H69-S174 VanDerWaalsContact O-OG 3.07Å; G71-S174 PolarHBondContact N-OG 2.53Å; T93-S174 PolarHBondContact O-OG 2.94Å; T93-S174 PolarHBondContact OG1-OG 3.07Å; C171-S174 WeakPolarHBondContact O-CB 3.3Å; C171-S174 PolarHBondContact O-N 2.93Å; L172-S174 PolarHBondContact O-N 2.94Å; S174-F319 WeakPolarHBondContact O-CE2 3.37Å
175C98.1Very high98.4Very high8 Ų812 Ų125%0.0546%0.064CC..THydrogen-bonded Turntrans-155.6-80.6174.2-179.80000112.8H69 E70 F95 L172 I173 F177 S178 T179H69-C175 PolarHBondContact NE2-SG 2.95Å; E70-C175 HydrophobicContact CB-CB 4.16Å; E70-C175 HydrophobicContact CG-CB 3.98Å; E70-C175 WeakPolarHBondContact OE2-CB 3.21Å; F95-C175 HydrophobicContact CD1-CB 4.4Å; F95-C175 HydrophobicContact CE1-CB 4.14Å; L172-C175 CarbonylContact O-C 3.58Å; L172-C175 PolarHBondContact O-N 3.13Å; I173-C175 PolarHBondContact O-N 3.21Å; C175-F177 PolarHBondContact O-N 3.03Å; C175-S178 PolarHBondContact O-N 3.03Å; C175-T179 VanDerWaalsContact O-CB 3.28Å; C175-T179 WeakPolarHBondContact O-CB 3.42Å; C175-T179 PolarHBondContact O-N 2.93Å; C175-T179 PolarHBondContact O-OG1 3.1Å
176G97.1Very high98.4Very high0 Ų014.2 Ų14.20%08%0.076CC..Hα-helixtrans-55.3-47.3-161.200000115.2E70 L172 G180E70-G176 PolarHBondContact OE2-N 2.93Å; L172-G176 PolarHBondContact O-N 3.26Å; G176-G180 PolarHBondContact O-N 2.94Å
177F98.6Very high98.4Very high1 Ų113.4 Ų13.40%0.0047%0.07CC..Hα-helixtrans-66.2-57.1-179.4173.4-98.7000111.5L172 I173 C175 T179 G180 F181 S207 M210 L331 L340 L342 L345L172-F177 HydrophobicContact CB-CB 4.26Å; L172-F177 WeakPolarHBondContact O-CB 3.4Å; L172-F177 PolarHBondContact O-N 3.38Å; I173-F177 HydrophobicContact CG1-CD1 4.02Å; C175-F177 PolarHBondContact O-N 3.03Å; F177-T179 PolarHBondContact O-N 3.23Å; F177-G180 PolarHBondContact O-N 3.46Å; F177-F181 HydrophobicContact CE1-CB 4.26Å; F177-F181 HydrophobicContact CE1-CG 4.31Å; F177-F181 HydrophobicContact CE2-CB 4.18Å; F177-F181 HydrophobicContact CE2-CD2 4.13Å; F177-F181 HydrophobicContact CE2-CG 4.27Å; F177-F181 HydrophobicContact CZ-CB 4Å; F177-F181 HydrophobicContact CZ-CD1 4.31Å; F177-F181 AromaticContact CZ-CD2 3.91Å; F177-F181 HydrophobicContact CZ-CD2 3.91Å; F177-F181 HydrophobicContact CZ-CE2 4.49Å; F177-F181 AromaticContact CZ-CG 3.82Å; F177-F181 HydrophobicContact CZ-CG 3.82Å; F177-F181 VanDerWaalsContact O-CB 3.27Å; F177-F181 WeakPolarHBondContact O-CB 3.47Å; F177-F181 PolarHBondContact O-N 3.07Å; F177-S207 WeakPolarHBondContact CA-OG 3.33Å; F177-S207 WeakPolarHBondContact O-CB 3.37Å; F177-M210 HydrophobicContact CD2-CE 4.46Å; F177-M210 HydrophobicContact CE2-CE 3.79Å; F177-M210 HydrophobicContact CE2-SD 4.38Å; F177-L331 HydrophobicContact CE1-CD2 4.21Å; F177-L340 HydrophobicContact CE1-CD1 3.85Å; F177-L340 HydrophobicContact CZ-CB 4.28Å; F177-L340 HydrophobicContact CZ-CD1 3.91Å; F177-L340 HydrophobicContact CZ-CD2 4.07Å; F177-L340 HydrophobicContact CZ-CG 4.32Å; F177-L342 HydrophobicContact CB-CD2 3.94Å; F177-L342 HydrophobicContact CD1-CD2 3.69Å; F177-L342 HydrophobicContact CD2-CD2 3.39Å; F177-L342 HydrophobicContact CE1-CD2 4.03Å; F177-L342 HydrophobicContact CE2-CD2 3.76Å; F177-L342 HydrophobicContact CG-CD2 3.34Å; F177-L342 HydrophobicContact CZ-CD2 4.06Å; F177-L345 HydrophobicContact CB-CD1 4.39Å; F177-L345 HydrophobicContact CD2-CD1 3.92Å
178S98.7Very high98.4Very high0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-58.3-36.7-177.8-57.80000112.1I173 C175 G182 W322 L331I173-S178 WeakPolarHBondContact CA-OG 3.46Å; I173-S178 WeakPolarHBondContact CG2-OG 3.48Å; I173-S178 WeakPolarHBondContact O-CB 3.3Å; I173-S178 PolarHBondContact O-OG 3.16Å; C175-S178 PolarHBondContact O-N 3.03Å; S178-G182 WeakPolarHBondContact O-CA 3.42Å; S178-G182 PolarHBondContact O-N 3.04Å; S178-W322 PolarHBondContact O-NE1 2.99Å; S178-L331 WeakPolarHBondContact OG-CD2 3.44Å
179T98.8Very high98.4Very high12 Ų1215.9 Ų15.97%0.0748%0.078CC..Hα-helixtrans-62.3-54.8177.8-590000111.7C175 F177 A183 V204 V293 G320C175-T179 VanDerWaalsContact O-CB 3.28Å; C175-T179 WeakPolarHBondContact O-CB 3.42Å; C175-T179 PolarHBondContact O-N 2.93Å; C175-T179 PolarHBondContact O-OG1 3.1Å; F177-T179 PolarHBondContact O-N 3.23Å; T179-A183 VanDerWaalsContact O-CB 3.27Å; T179-A183 WeakPolarHBondContact O-CB 3.33Å; T179-A183 PolarHBondContact O-N 2.97Å; T179-V204 HydrophobicContact CG2-CG1 4.1Å; T179-V293 HydrophobicContact CG2-CG1 3.6Å; T179-G320 WeakPolarHBondContact O-CA 3.29Å
180G98.7Very high98.4Very high0 Ų014.2 Ų14.20%07%0.072CC..Hα-helixtrans-70.4-46.8-177.900000112.5G176 F177 G182 A183 A184 V208G176-G180 PolarHBondContact O-N 2.94Å; F177-G180 PolarHBondContact O-N 3.46Å; G180-G182 PolarHBondContact O-N 3.01Å; G180-A183 WeakPolarHBondContact O-CB 3.41Å; G180-A183 PolarHBondContact O-N 3.04Å; G180-A184 PolarHBondContact O-N 3.02Å; G180-V208 WeakPolarHBondContact O-CA 3.48Å; G180-V208 WeakPolarHBondContact O-CG2 3.37Å
181F98.8Very high98.5Very high20 Ų2017.6 Ų17.69%0.0889%0.093CC..Hα-helixtrans-60.2-49.4-179.4-169-99.3000111F177 A183 A184 I185 S207 M210 G211 A214 W322 L340F177-F181 HydrophobicContact CE1-CB 4.26Å; F177-F181 HydrophobicContact CE1-CG 4.31Å; F177-F181 HydrophobicContact CE2-CB 4.18Å; F177-F181 HydrophobicContact CE2-CD2 4.13Å; F177-F181 HydrophobicContact CE2-CG 4.27Å; F177-F181 HydrophobicContact CZ-CB 4Å; F177-F181 HydrophobicContact CZ-CD1 4.31Å; F177-F181 AromaticContact CZ-CD2 3.91Å; F177-F181 HydrophobicContact CZ-CD2 3.91Å; F177-F181 HydrophobicContact CZ-CE2 4.49Å; F177-F181 AromaticContact CZ-CG 3.82Å; F177-F181 HydrophobicContact CZ-CG 3.82Å; F177-F181 VanDerWaalsContact O-CB 3.27Å; F177-F181 WeakPolarHBondContact O-CB 3.47Å; F177-F181 PolarHBondContact O-N 3.07Å; F181-A183 PolarHBondContact O-N 3.2Å; F181-A184 PolarHBondContact O-N 3.33Å; F181-I185 HydrophobicContact CD1-CD1 3.75Å; F181-I185 HydrophobicContact CD1-CG1 4.12Å; F181-I185 HydrophobicContact CE1-CD1 3.4Å; F181-I185 VanDerWaalsContact CE1-CD1 3.4Å; F181-I185 HydrophobicContact CE1-CG1 4.14Å; F181-I185 HydrophobicContact CE1-CG2 4.41Å; F181-I185 HydrophobicContact CZ-CD1 4.33Å; F181-I185 HydrophobicContact CZ-CG2 4.49Å; F181-I185 WeakPolarHBondContact O-CG1 3.16Å; F181-I185 PolarHBondContact O-N 2.79Å; F181-I185 VanDerWaalsContact O-N 3.09Å; F181-S207 WeakPolarHBondContact CA-O 3.49Å; F181-S207 PolarHBondContact N-O 2.59Å; F181-M210 HydrophobicContact CD2-CB 4.36Å; F181-G211 VanDerWaalsContact CD2-CA 3.45Å; F181-A214 HydrophobicContact CE2-CB 3.84Å; F181-A214 HydrophobicContact CZ-CB 3.95Å; F181-W322 HydrophobicContact CD1-CZ2 4.3Å; F181-L340 HydrophobicContact CE1-CD2 4.24Å; F181-L340 HydrophobicContact CE2-CD2 4.12Å; F181-L340 HydrophobicContact CZ-CD2 3.77Å
182G98.7Very high98.5Very high0 Ų022.9 Ų22.90%013%0.127CC..Hα-helixtrans-67.4-30.2177.700000114.1S178 G180 A184 I185 N186 T187 G320S178-G182 WeakPolarHBondContact O-CA 3.42Å; S178-G182 PolarHBondContact O-N 3.04Å; G180-G182 PolarHBondContact O-N 3.01Å; G182-A184 VanDerWaalsContact C-N 3.25Å; G182-A184 PolarHBondContact O-N 2.97Å; G182-I185 PolarHBondContact O-N 3.01Å; G182-N186 WeakPolarHBondContact O-CA 3.48Å; G182-N186 VanDerWaalsContact O-CB 3.28Å; G182-N186 WeakPolarHBondContact O-CB 3.27Å; G182-N186 PolarHBondContact O-N 2.87Å; G182-T187 PolarHBondContact O-N 2.88Å; G182-T187 VanDerWaalsContact O-N 3.16Å; G182-G320 CarbonylContact C-O 3.55Å; G182-G320 VanDerWaalsContact CA-O 3.27Å; G182-G320 WeakPolarHBondContact CA-O 3.28Å
183A98.8Very high98.5Very high0 Ų025.3 Ų25.30%015%0.153CC..Iπ-helixtrans-58.9-41.4173.600000110.9T179 G180 F181 T187 A188 F267 V291 V293T179-A183 VanDerWaalsContact O-CB 3.27Å; T179-A183 WeakPolarHBondContact O-CB 3.33Å; T179-A183 PolarHBondContact O-N 2.97Å; G180-A183 WeakPolarHBondContact O-CB 3.41Å; G180-A183 PolarHBondContact O-N 3.04Å; F181-A183 PolarHBondContact O-N 3.2Å; A183-T187 WeakPolarHBondContact O-CB 3.08Å; A183-A188 WeakPolarHBondContact O-CB 3.29Å; A183-A188 PolarHBondContact O-N 3.29Å; A183-F267 HydrophobicContact CB-CD1 4.37Å; A183-F267 HydrophobicContact CB-CE1 4.41Å; A183-V291 HydrophobicContact CB-CG1 4.41Å; A183-V293 HydrophobicContact CB-CG2 3.69Å
184A98.9Very high98.5Very high0 Ų025.5 Ų25.50%015%0.154CC..Iπ-helixtrans-69.5-55.517500000112.3G180 F181 G182 K189 V190 V208 F267G180-A184 PolarHBondContact O-N 3.02Å; F181-A184 PolarHBondContact O-N 3.33Å; G182-A184 VanDerWaalsContact C-N 3.25Å; G182-A184 PolarHBondContact O-N 2.97Å; A184-K189 PolarHBondContact O-N 2.82Å; A184-V190 HydrophobicContact CB-CG2 4.15Å; A184-V190 WeakPolarHBondContact O-CG2 3.39Å; A184-V190 PolarHBondContact O-N 3.31Å; A184-V190 VanDerWaalsContact O-N 3.11Å; A184-V208 HydrophobicContact CB-CG1 4.47Å; A184-F267 HydrophobicContact CB-CE1 4.33Å; A184-F267 HydrophobicContact CB-CZ 4.12Å
185I98.4Very high98.6Very high52 Ų5226.5 Ų26.527%0.26716%0.16SC..Iπ-helixtrans-82-32.4-168.565.1159.8000114.2F181 G182 A215 W322F181-I185 HydrophobicContact CD1-CD1 3.75Å; F181-I185 HydrophobicContact CD1-CG1 4.12Å; F181-I185 HydrophobicContact CE1-CD1 3.4Å; F181-I185 VanDerWaalsContact CE1-CD1 3.4Å; F181-I185 HydrophobicContact CE1-CG1 4.14Å; F181-I185 HydrophobicContact CE1-CG2 4.41Å; F181-I185 HydrophobicContact CZ-CD1 4.33Å; F181-I185 HydrophobicContact CZ-CG2 4.49Å; F181-I185 WeakPolarHBondContact O-CG1 3.16Å; F181-I185 PolarHBondContact O-N 2.79Å; F181-I185 VanDerWaalsContact O-N 3.09Å; G182-I185 PolarHBondContact O-N 3.01Å; I185-A215 HydrophobicContact CG2-CB 4.42Å; I185-W322 HydrophobicContact CD1-CH2 3.58Å; I185-W322 HydrophobicContact CD1-CZ2 3.69Å; I185-W322 HydrophobicContact CG1-CH2 4.35Å; I185-W322 HydrophobicContact CG1-CZ2 4.16Å
186N98.3Very high98.6Very high47 Ų4726.1 Ų26.125%0.25116%0.158SC..Iπ-helixtrans-102.1-45.3-175.6-55.9-37.2000112.5G182 K189 G320 W322G182-N186 WeakPolarHBondContact O-CA 3.48Å; G182-N186 VanDerWaalsContact O-CB 3.28Å; G182-N186 WeakPolarHBondContact O-CB 3.27Å; G182-N186 PolarHBondContact O-N 2.87Å; N186-K189 VanDerWaalsContact O-CE 3.23Å; N186-K189 WeakPolarHBondContact O-CE 3.38Å; N186-K189 WeakPolarHBondContact O-CG 3.26Å; N186-G320 WeakPolarHBondContact CB-O 3.4Å; N186-G320 PolarHBondContact ND2-O 3.47Å; N186-W322 VanDerWaalsContact ND2-CE3 3.27Å; N186-W322 WeakPolarHBondContact ND2-CH2 3.41Å; N186-W322 WeakPolarHBondContact ND2-CZ2 3.42Å; N186-W322 VanDerWaalsContact ND2-CZ3 3.29Å; N186-W322 WeakPolarHBondContact ND2-CZ3 3.28Å
187T98.4Very high98.7Very high23 Ų2326.1 Ų26.114%0.14116%0.158CC..Iπ-helixtrans-84.2-53.5-173.2-52.30000112.3G182 A183 V291 K315 S317G182-T187 PolarHBondContact O-N 2.88Å; G182-T187 VanDerWaalsContact O-N 3.16Å; A183-T187 WeakPolarHBondContact O-CB 3.08Å; T187-V291 HydrophobicContact CG2-CG1 3.93Å; T187-V291 HydrophobicContact CG2-CG2 4.36Å; T187-K315 HydrophobicContact CG2-CB 4.35Å; T187-S317 WeakPolarHBondContact OG1-CB 3.31Å; T187-S317 PolarHBondContact OG1-OG 3.26Å
188A98.6Very high98.7Very high6 Ų626.1 Ų26.15%0.0516%0.157CC..Iπ-helixtrans-72.5-35.5174.400000111.2A183 V190 F265 F267 V291A183-A188 WeakPolarHBondContact O-CB 3.29Å; A183-A188 PolarHBondContact O-N 3.29Å; A188-V190 VanDerWaalsContact C-N 3.34Å; A188-V190 HydrophobicContact CB-CG2 3.98Å; A188-F265 HydrophobicContact CB-CD1 3.86Å; A188-F265 HydrophobicContact CB-CE1 4.42Å; A188-F265 WeakPolarHBondContact O-CE1 3.29Å; A188-F267 HydrophobicContact CB-CE1 3.61Å; A188-F267 HydrophobicContact CB-CZ 3.49Å; A188-F267 VanDerWaalsContact CB-CZ 3.49Å; A188-V291 HydrophobicContact CB-CG2 3.88Å
189K98.5Very high98.7Very high115 Ų11526.4 Ų26.450%0.516%0.159SC..  trans56.152-170.8-54.7-177.2-177.2179.40109.7E109 A184 N186 T191E109-K189 IonicContact OE2-NZ 2.73Å; E109-K189 PolarHBondContact OE2-NZ 2.95Å; A184-K189 PolarHBondContact O-N 2.82Å; N186-K189 VanDerWaalsContact O-CE 3.23Å; N186-K189 WeakPolarHBondContact O-CE 3.38Å; N186-K189 WeakPolarHBondContact O-CG 3.26Å; K189-T191 PolarHBondContact O-N 2.93Å
190V98.9Very high98.7Very high13 Ų1326 Ų268%0.07916%0.157CC..PPolyproline II helixtrans-48.5135.1179.3172.90000109.8A184 A188 S194 A215 A217 F265 F267A184-V190 HydrophobicContact CB-CG2 4.15Å; A184-V190 WeakPolarHBondContact O-CG2 3.39Å; A184-V190 PolarHBondContact O-N 3.31Å; A184-V190 VanDerWaalsContact O-N 3.11Å; A188-V190 VanDerWaalsContact C-N 3.34Å; A188-V190 HydrophobicContact CB-CG2 3.98Å; V190-S194 WeakPolarHBondContact CG1-OG 3.42Å; V190-A215 HydrophobicContact CB-CB 3.73Å; V190-A215 HydrophobicContact CG1-CB 3.72Å; V190-A217 HydrophobicContact CG1-CB 4.05Å; V190-F265 HydrophobicContact CB-CD2 4.4Å; V190-F265 HydrophobicContact CG1-CD2 4.28Å; V190-F265 HydrophobicContact CG1-CE2 4.5Å; V190-F265 HydrophobicContact CG2-CB 4.26Å; V190-F265 HydrophobicContact CG2-CD1 4.44Å; V190-F265 HydrophobicContact CG2-CD2 4.12Å; V190-F265 HydrophobicContact CG2-CG 4.02Å; V190-F267 HydrophobicContact CG2-CE2 4.23Å; V190-F267 HydrophobicContact CG2-CZ 3.73Å
191T98.8Very high98.7Very high71 Ų7126 Ų2644%0.43616%0.157SC..PPolyproline II helixtrans-104150.4-175.1520000111.8K189 G193 S194 F265K189-T191 PolarHBondContact O-N 2.93Å; T191-G193 PolarHBondContact O-N 3.48Å; T191-S194 VanDerWaalsContact O-CB 3.32Å; T191-S194 WeakPolarHBondContact O-CB 3.39Å; T191-S194 PolarHBondContact O-N 3.48Å; T191-S194 PolarHBondContact O-OG 3.02Å; T191-F265 HydrophobicContact CG2-CZ 4.42Å
192P98.8Very high98.6Very high112 Ų11226.5 Ų26.573%0.72717%0.168SC*.THydrogen-bonded Turntrans-55.7137.8173.1-26.234.9000111.9S194 G216P192-S194 VanDerWaalsContact C-N 3.26Å; P192-S194 PolarHBondContact O-N 2.98Å; P192-G216 CarbonylContact C-O 3.51Å; P192-G216 WeakPolarHBondContact CA-O 3.17Å
193G98.4Very high98.5Very high52 Ų5226.6 Ų26.654%0.53617%0.169SC..THydrogen-bonded Turntrans82.4-7.9-179.500000115.4T191 G216 A218T191-G193 PolarHBondContact O-N 3.48Å; G193-G216 PolarHBondContact N-O 2.82Å; G193-A218 WeakPolarHBondContact O-CB 3.36Å
194S98.6Very high98.5Very high4 Ų427.9 Ų27.93%0.02818%0.176CC..  trans-72163.1-178.661.70000113.8V190 T191 P192 A217 A218 R219 D264V190-S194 WeakPolarHBondContact CG1-OG 3.42Å; T191-S194 VanDerWaalsContact O-CB 3.32Å; T191-S194 WeakPolarHBondContact O-CB 3.39Å; T191-S194 PolarHBondContact O-N 3.48Å; T191-S194 PolarHBondContact O-OG 3.02Å; P192-S194 VanDerWaalsContact C-N 3.26Å; P192-S194 PolarHBondContact O-N 2.98Å; S194-A217 CarbonylContact O-C 3.52Å; S194-A217 WeakPolarHBondContact O-CA 3.49Å; S194-A217 WeakPolarHBondContact O-CB 3.48Å; S194-A218 PolarHBondContact O-N 2.75Å; S194-R219 PolarHBondContact O-N 3.07Å; S194-D264 WeakPolarHBondContact CA-OD2 3.31Å; S194-D264 VanDerWaalsContact CB-OD2 3.24Å; S194-D264 WeakPolarHBondContact CB-OD2 2.94Å
195T98.8Very high98.5Very high21 Ų2127.9 Ų27.913%0.12918%0.177CC..EExtended strand (participates in β ladder)trans-102.9126.3171-59.50000110.2R219 I221 T259 I263 D264 F265T195-R219 CarbonylContact C-O 3.59Å; T195-R219 WeakPolarHBondContact CA-O 3.28Å; T195-R219 HydrophobicContact CG2-CB 3.9Å; T195-I221 HydrophobicContact CG2-CD1 4.32Å; T195-T259 HydrophobicContact CG2-CG2 4.07Å; T195-I263 HydrophobicContact CG2-CD1 3.72Å; T195-I263 WeakPolarHBondContact O-CG2 3.33Å; T195-D264 PolarHBondContact N-OD2 3.1Å; T195-D264 WeakPolarHBondContact O-CB 3.49Å; T195-D264 PolarHBondContact O-N 3.44Å; T195-D264 VanDerWaalsContact O-N 3.16Å; T195-F265 PolarHBondContact O-N 3.37Å
196C98.9Very high98.5Very high0 Ų025.4 Ų25.40%016%0.164CC..EExtended strand (participates in β ladder)trans-114.5147.8176.9-57.70000111.9C212 R219 I220 I221 F265 F267C196-C212 HydrophobicContact CB-CB 4.3Å; C196-C212 VanDerWaalsContact SG-SG 3.67Å; C196-R219 PolarHBondContact N-O 3.32Å; C196-I220 WeakPolarHBondContact O-CA 3.41Å; C196-I221 PolarHBondContact O-N 3.14Å; C196-F265 CarbonylContact C-O 3.59Å; C196-F265 WeakPolarHBondContact CA-O 3.42Å; C196-F267 HydrophobicContact CB-CE2 4.37Å
197A98.9Very high98.6Very high0 Ų023.2 Ų23.20%015%0.152CC..EExtended strand (participates in β ladder)trans-123.9130.5167.600000110.6F199 I221 L255 I263 F265 C266 F267A197-F199 HydrophobicContact CB-CE2 4.02Å; A197-I221 CarbonylContact C-O 3.54Å; A197-I221 WeakPolarHBondContact CA-O 3.27Å; A197-L255 HydrophobicContact CB-CD1 4.26Å; A197-I263 HydrophobicContact CB-CD1 4.25Å; A197-I263 HydrophobicContact CB-CG1 4.07Å; A197-I263 HydrophobicContact CB-CG2 3.86Å; A197-F265 PolarHBondContact N-O 3.04Å; A197-C266 CarbonylContact O-C 3.49Å; A197-C266 WeakPolarHBondContact O-CA 3.43Å; A197-F267 PolarHBondContact O-N 3.32Å
198V98.9Very high98.6Very high0 Ų022.1 Ų22.10%015%0.146CC..EExtended strand (participates in β ladder)trans-119.2109.4-177.1-1740000109.8V208 V209 I220 I221 V223 F267V198-V208 HydrophobicContact CG1-CB 4.08Å; V198-V208 HydrophobicContact CG1-CG1 4.13Å; V198-V208 HydrophobicContact CG2-CB 4.34Å; V198-V208 HydrophobicContact CG2-CG1 3.68Å; V198-V209 HydrophobicContact CB-CG2 4.26Å; V198-V209 HydrophobicContact CG1-CG2 4.44Å; V198-V209 HydrophobicContact CG2-CG2 3.99Å; V198-I220 HydrophobicContact CG2-CG2 4.48Å; V198-I221 PolarHBondContact N-O 2.9Å; V198-V223 PolarHBondContact O-N 3.2Å; V198-F267 HydrophobicContact CG1-CB 4.49Å; V198-F267 HydrophobicContact CG2-CD2 4.18Å
199F98.8Very high98.6Very high6 Ų621.8 Ų21.83%0.02614%0.143CC..EExtended strand (participates in β ladder)trans-88.2113.6178.4-66.8-105.9000109.8A197 V223 I251 L255 F267 A269 I270 A279A197-F199 HydrophobicContact CB-CE2 4.02Å; F199-V223 HydrophobicContact CD1-CB 4.06Å; F199-V223 HydrophobicContact CD1-CG1 3.88Å; F199-V223 HydrophobicContact CD1-CG2 4.48Å; F199-V223 HydrophobicContact CE1-CB 4.36Å; F199-V223 HydrophobicContact CE1-CG1 4.05Å; F199-V223 HydrophobicContact CE1-CG2 4.36Å; F199-V223 HydrophobicContact CG-CB 4.31Å; F199-V223 HydrophobicContact CZ-CG2 4.46Å; F199-I251 HydrophobicContact CE1-CG1 4.12Å; F199-I251 HydrophobicContact CE1-CG2 3.96Å; F199-I251 HydrophobicContact CZ-CG1 4.5Å; F199-L255 HydrophobicContact CE2-CD1 4.26Å; F199-L255 HydrophobicContact CZ-CD1 3.69Å; F199-F267 PolarHBondContact N-O 3.27Å; F199-A269 WeakPolarHBondContact O-CA 3.28Å; F199-A269 WeakPolarHBondContact O-CB 3.41Å; F199-A269 PolarHBondContact O-N 3.37Å; F199-I270 HydrophobicContact CB-CD1 4.48Å; F199-A279 HydrophobicContact CD2-CB 3.64Å; F199-A279 HydrophobicContact CE2-CB 3.64Å; F199-A279 HydrophobicContact CG-CB 4.17Å; F199-A279 HydrophobicContact CZ-CB 4.15Å
200G98.3Very high98.6Very high4 Ų417.5 Ų17.54%0.04113%0.125CC..  trans94.5116.7-17500000112.3G205 V223 I270G200-G205 WeakPolarHBondContact O-CA 3.41Å; G200-V223 PolarHBondContact N-O 3.16Å; G200-I270 VanDerWaalsContact CA-CG1 3.47Å
201L98.3Very high98.6Very high0 Ų016.9 Ų16.90%012%0.121CC..  trans-108.137.8-176.5-61.8173.8000112.1L206 V209 D224 K229 F230 A233L201-L206 HydrophobicContact CB-CD2 4.39Å; L201-L206 HydrophobicContact CD2-CD2 4.43Å; L201-V209 HydrophobicContact CD2-CG2 4.34Å; L201-D224 HydrophobicContact CB-CB 4.04Å; L201-D224 HydrophobicContact CD1-CB 3.82Å; L201-D224 HydrophobicContact CG-CB 3.91Å; L201-D224 PolarHBondContact N-OD2 2.71Å; L201-K229 HydrophobicContact CB-CB 3.99Å; L201-K229 HydrophobicContact CB-CD 4.08Å; L201-F230 HydrophobicContact CD1-CD1 3.74Å; L201-F230 HydrophobicContact CD1-CE1 4Å; L201-A233 HydrophobicContact CD1-CB 3.88Å; L201-A233 HydrophobicContact CD2-CB 3.99Å; L201-A233 HydrophobicContact CG-CB 4.42Å
202G96.9Very high98.6Very high30 Ų3013.5 Ų13.531%0.30910%0.1SC..SBendtrans-78.5-176.5165.900000111.7V204 G205 L206G202-V204 PolarHBondContact O-N 3.23Å; G202-V204 VanDerWaalsContact O-N 3.1Å; G202-G205 PolarHBondContact O-N 3.21Å; G202-G205 VanDerWaalsContact O-N 3.08Å; G202-L206 WeakPolarHBondContact O-CG 3.35Å; G202-L206 PolarHBondContact O-N 3.39Å
203G97.8Very high98.6Very high2 Ų213.9 Ų13.92%0.0219%0.091CC..Hα-helixtrans-57.2-31.7-175.400000115.3S207G203-S207 WeakPolarHBondContact O-CB 3.27Å; G203-S207 PolarHBondContact O-N 2.8Å; G203-S207 PolarHBondContact O-OG 3.49Å
204V98.5Very high98.6Very high27 Ų2714.8 Ų14.816%0.1649%0.093CC..Hα-helixtrans-70.5-50.4173.8-179.20000111.2T179 G202 L206 S207 V208 V293T179-V204 HydrophobicContact CG2-CG1 4.1Å; G202-V204 PolarHBondContact O-N 3.23Å; G202-V204 VanDerWaalsContact O-N 3.1Å; V204-L206 VanDerWaalsContact C-N 3.34Å; V204-L206 PolarHBondContact O-N 3.27Å; V204-S207 CarbonylContact O-C 3.54Å; V204-S207 WeakPolarHBondContact O-CA 3.44Å; V204-S207 WeakPolarHBondContact O-CB 3.42Å; V204-S207 PolarHBondContact O-N 2.68Å; V204-V208 PolarHBondContact O-N 3.42Å; V204-V293 HydrophobicContact CG1-CG1 3.55Å
205G98.7Very high98.6Very high1 Ų115.5 Ų15.51%0.0110%0.099CC..Hα-helixtrans-64-36.7179.400000113.4G200 G202 S207 V208 V209G200-G205 WeakPolarHBondContact O-CA 3.41Å; G202-G205 PolarHBondContact O-N 3.21Å; G202-G205 VanDerWaalsContact O-N 3.08Å; G205-S207 VanDerWaalsContact C-N 3.25Å; G205-S207 PolarHBondContact O-N 3.28Å; G205-V208 WeakPolarHBondContact O-CA 3.42Å; G205-V208 VanDerWaalsContact O-CB 3.3Å; G205-V208 WeakPolarHBondContact O-CB 3.36Å; G205-V208 PolarHBondContact O-N 3.11Å; G205-V208 VanDerWaalsContact O-N 3.09Å; G205-V209 PolarHBondContact O-N 3.47Å
206L98.8Very high98.6Very high0 Ų016.3 Ų16.30%011%0.112CC..Hα-helixtrans-63.2-34171.1-67.7175.7000112L201 G202 V204 V208 V209 M210 K232 A233 L236 L345 I368L201-L206 HydrophobicContact CB-CD2 4.39Å; L201-L206 HydrophobicContact CD2-CD2 4.43Å; G202-L206 WeakPolarHBondContact O-CG 3.35Å; G202-L206 PolarHBondContact O-N 3.39Å; V204-L206 VanDerWaalsContact C-N 3.34Å; V204-L206 PolarHBondContact O-N 3.27Å; L206-V208 VanDerWaalsContact C-N 3.35Å; L206-V209 WeakPolarHBondContact O-CB 3.3Å; L206-V209 PolarHBondContact O-N 2.96Å; L206-M210 VanDerWaalsContact O-CG 3.31Å; L206-M210 WeakPolarHBondContact O-CG 3.38Å; L206-M210 PolarHBondContact O-N 3.09Å; L206-K232 HydrophobicContact CD1-CG 3.93Å; L206-A233 HydrophobicContact CD2-CB 3.73Å; L206-L236 HydrophobicContact CB-CD1 3.95Å; L206-L236 HydrophobicContact CD1-CD1 4.25Å; L206-L236 HydrophobicContact CD2-CD1 4.19Å; L206-L236 HydrophobicContact CG-CD1 4.36Å; L206-L345 HydrophobicContact CB-CD2 3.67Å; L206-L345 HydrophobicContact CD1-CD2 4.3Å; L206-I368 HydrophobicContact CD1-CD1 3.59Å; L206-I368 HydrophobicContact CD1-CG1 4.13Å; L206-I368 HydrophobicContact CD1-CG2 3.75Å
207S98.8Very high98.6Very high0 Ų017 Ų170%012%0.118CC..Hα-helixtrans-70.8-30.9173.1-54.10000112.3F177 F181 G203 V204 G205 M210 G211 L345F177-S207 WeakPolarHBondContact CA-OG 3.33Å; F177-S207 WeakPolarHBondContact O-CB 3.37Å; F181-S207 WeakPolarHBondContact CA-O 3.49Å; F181-S207 PolarHBondContact N-O 2.59Å; G203-S207 WeakPolarHBondContact O-CB 3.27Å; G203-S207 PolarHBondContact O-N 2.8Å; G203-S207 PolarHBondContact O-OG 3.49Å; V204-S207 CarbonylContact O-C 3.54Å; V204-S207 WeakPolarHBondContact O-CA 3.44Å; V204-S207 WeakPolarHBondContact O-CB 3.42Å; V204-S207 PolarHBondContact O-N 2.68Å; G205-S207 VanDerWaalsContact C-N 3.25Å; G205-S207 PolarHBondContact O-N 3.28Å; S207-M210 PolarHBondContact O-N 3.04Å; S207-G211 PolarHBondContact O-N 3.33Å; S207-L345 WeakPolarHBondContact OG-CD1 3.38Å
208V98.9Very high98.6Very high0 Ų020 Ų200%014%0.143CC..Hα-helixtrans-62.7-48168.1177.30000110.2G180 A184 V198 V204 G205 L206 M210 G211 C212 F267G180-V208 WeakPolarHBondContact O-CA 3.48Å; G180-V208 WeakPolarHBondContact O-CG2 3.37Å; A184-V208 HydrophobicContact CB-CG1 4.47Å; V198-V208 HydrophobicContact CG1-CB 4.08Å; V198-V208 HydrophobicContact CG1-CG1 4.13Å; V198-V208 HydrophobicContact CG2-CB 4.34Å; V198-V208 HydrophobicContact CG2-CG1 3.68Å; V204-V208 PolarHBondContact O-N 3.42Å; G205-V208 WeakPolarHBondContact O-CA 3.42Å; G205-V208 VanDerWaalsContact O-CB 3.3Å; G205-V208 WeakPolarHBondContact O-CB 3.36Å; G205-V208 PolarHBondContact O-N 3.11Å; G205-V208 VanDerWaalsContact O-N 3.09Å; L206-V208 VanDerWaalsContact C-N 3.35Å; V208-M210 VanDerWaalsContact C-N 3.3Å; V208-M210 PolarHBondContact O-N 3.36Å; V208-G211 CarbonylContact O-C 3.57Å; V208-G211 WeakPolarHBondContact O-CA 3.46Å; V208-G211 PolarHBondContact O-N 3.44Å; V208-C212 PolarHBondContact O-N 3.16Å; V208-C212 PolarHBondContact O-SG 3.46Å; V208-F267 HydrophobicContact CG1-CB 3.83Å; V208-F267 HydrophobicContact CG1-CD1 3.67Å; V208-F267 HydrophobicContact CG1-CD2 3.54Å; V208-F267 HydrophobicContact CG1-CE1 4.08Å; V208-F267 HydrophobicContact CG1-CE2 3.96Å; V208-F267 HydrophobicContact CG1-CG 3.39Å; V208-F267 HydrophobicContact CG1-CZ 4.21Å; V208-F267 HydrophobicContact CG2-CD1 4.5Å
209V98.9Very high98.6Very high0 Ų023.3 Ų23.30%016%0.155CC..Hα-helixtrans-54.7-46.8176.3169.20000111V198 L201 G205 L206 G211 C212 K213 I220 L236 A238V198-V209 HydrophobicContact CB-CG2 4.26Å; V198-V209 HydrophobicContact CG1-CG2 4.44Å; V198-V209 HydrophobicContact CG2-CG2 3.99Å; L201-V209 HydrophobicContact CD2-CG2 4.34Å; G205-V209 PolarHBondContact O-N 3.47Å; L206-V209 WeakPolarHBondContact O-CB 3.3Å; L206-V209 PolarHBondContact O-N 2.96Å; V209-G211 VanDerWaalsContact C-N 3.32Å; V209-G211 PolarHBondContact O-N 3.23Å; V209-C212 PolarHBondContact O-N 2.82Å; V209-K213 PolarHBondContact O-N 2.95Å; V209-I220 HydrophobicContact CB-CG2 4.44Å; V209-I220 HydrophobicContact CG1-CG2 4.17Å; V209-I220 HydrophobicContact CG2-CG2 4.09Å; V209-L236 HydrophobicContact CG1-CB 4.41Å; V209-A238 HydrophobicContact CG1-CB 4.31Å
210M98.8Very high98.6Very high24 Ų2423.1 Ų23.112%0.11815%0.154CC..Hα-helixtrans-60.4-41.2175.7-67.216870.200112.1F177 F181 L206 S207 V208 K213 A214 L236 N341 L345F177-M210 HydrophobicContact CD2-CE 4.46Å; F177-M210 HydrophobicContact CE2-CE 3.79Å; F177-M210 HydrophobicContact CE2-SD 4.38Å; F181-M210 HydrophobicContact CD2-CB 4.36Å; L206-M210 VanDerWaalsContact O-CG 3.31Å; L206-M210 WeakPolarHBondContact O-CG 3.38Å; L206-M210 PolarHBondContact O-N 3.09Å; S207-M210 PolarHBondContact O-N 3.04Å; V208-M210 VanDerWaalsContact C-N 3.3Å; V208-M210 PolarHBondContact O-N 3.36Å; M210-K213 PolarHBondContact O-N 3.24Å; M210-A214 WeakPolarHBondContact O-CB 3.4Å; M210-A214 PolarHBondContact O-N 3.14Å; M210-L236 HydrophobicContact CG-CB 4.08Å; M210-L236 HydrophobicContact CG-CD2 4.1Å; M210-L236 HydrophobicContact CG-CG 4.46Å; M210-L236 HydrophobicContact SD-CD1 4.38Å; M210-L236 HydrophobicContact SD-CD2 4.05Å; M210-N341 WeakPolarHBondContact CE-O 3.38Å; M210-L345 HydrophobicContact SD-CD1 4.24Å; M210-L345 HydrophobicContact SD-CD2 4.24Å; M210-L345 HydrophobicContact SD-CG 4.34Å
211G98.8Very high98.6Very high0 Ų023 Ų230%015%0.152CC..Hα-helixtrans-65.4-43.5176.200000113.2F181 S207 V208 V209 K213 A214 A215F181-G211 VanDerWaalsContact CD2-CA 3.45Å; S207-G211 PolarHBondContact O-N 3.33Å; V208-G211 CarbonylContact O-C 3.57Å; V208-G211 WeakPolarHBondContact O-CA 3.46Å; V208-G211 PolarHBondContact O-N 3.44Å; V209-G211 VanDerWaalsContact C-N 3.32Å; V209-G211 PolarHBondContact O-N 3.23Å; G211-K213 VanDerWaalsContact C-N 3.34Å; G211-K213 PolarHBondContact O-N 3.01Å; G211-A214 PolarHBondContact O-N 3.36Å; G211-A215 WeakPolarHBondContact O-CB 3.4Å; G211-A215 PolarHBondContact O-N 2.65Å
212C98.9Very high98.6Very high0 Ų023 Ų230%015%0.152CC..Hα-helixtrans-62.1-42.4175.5-63.50000111.5C196 V208 V209 A215 G216 A217 I220C196-C212 HydrophobicContact CB-CB 4.3Å; C196-C212 VanDerWaalsContact SG-SG 3.67Å; V208-C212 PolarHBondContact O-N 3.16Å; V208-C212 PolarHBondContact O-SG 3.46Å; V209-C212 PolarHBondContact O-N 2.82Å; C212-A215 PolarHBondContact O-N 3.5Å; C212-G216 PolarHBondContact O-N 3.43Å; C212-A217 HydrophobicContact CB-CB 4.23Å; C212-A217 WeakPolarHBondContact O-CB 3.27Å; C212-A217 PolarHBondContact O-N 2.85Å; C212-A217 VanDerWaalsContact O-N 3.1Å; C212-I220 HydrophobicContact CB-CD1 3.71Å; C212-I220 HydrophobicContact CB-CG1 4.02Å
213K98.8Very high98.7Very high121 Ų12121.7 Ų21.753%0.52614%0.139SC..Hα-helixtrans-62.9-46.1175.4-178.1179.6-178.6175.60111.3V209 M210 G211 A215 G216 I220 L236V209-K213 PolarHBondContact O-N 2.95Å; M210-K213 PolarHBondContact O-N 3.24Å; G211-K213 VanDerWaalsContact C-N 3.34Å; G211-K213 PolarHBondContact O-N 3.01Å; K213-A215 PolarHBondContact O-N 2.9Å; K213-G216 PolarHBondContact O-N 2.74Å; K213-I220 HydrophobicContact CB-CD1 3.94Å; K213-L236 WeakPolarHBondContact CD-O 3.34Å
214A98.4Very high98.7Very high70 Ų7022.2 Ų22.258%0.57914%0.141SC*.Hα-helixtrans-62.2-31.5177.600000112.6F181 M210 G211 G216F181-A214 HydrophobicContact CE2-CB 3.84Å; F181-A214 HydrophobicContact CZ-CB 3.95Å; M210-A214 WeakPolarHBondContact O-CB 3.4Å; M210-A214 PolarHBondContact O-N 3.14Å; G211-A214 PolarHBondContact O-N 3.36Å; A214-G216 VanDerWaalsContact C-N 3.27Å; A214-G216 PolarHBondContact O-N 3.13Å
215A98.7Very high98.7Very high20 Ų2025 Ų2517%0.16516%0.158CC..THydrogen-bonded Turntrans-77.8-6.5174.600000114.3I185 V190 G211 C212 K213I185-A215 HydrophobicContact CG2-CB 4.42Å; V190-A215 HydrophobicContact CB-CB 3.73Å; V190-A215 HydrophobicContact CG1-CB 3.72Å; G211-A215 WeakPolarHBondContact O-CB 3.4Å; G211-A215 PolarHBondContact O-N 2.65Å; C212-A215 PolarHBondContact O-N 3.5Å; K213-A215 PolarHBondContact O-N 2.9Å
216G98.6Very high98.6Very high38 Ų3826.8 Ų26.839%0.39217%0.167SC..THydrogen-bonded Turntrans83.923.8177.400000115P192 G193 C212 K213 A214 A218P192-G216 CarbonylContact C-O 3.51Å; P192-G216 WeakPolarHBondContact CA-O 3.17Å; G193-G216 PolarHBondContact N-O 2.82Å; C212-G216 PolarHBondContact O-N 3.43Å; K213-G216 PolarHBondContact O-N 2.74Å; A214-G216 VanDerWaalsContact C-N 3.27Å; A214-G216 PolarHBondContact O-N 3.13Å; G216-A218 PolarHBondContact O-N 3.01Å
217A98.8Very high98.5Very high15 Ų1531.7 Ų31.712%0.12419%0.189CC..  trans-56135.6171.200000110.9V190 S194 C212 I220V190-A217 HydrophobicContact CG1-CB 4.05Å; S194-A217 CarbonylContact O-C 3.52Å; S194-A217 WeakPolarHBondContact O-CA 3.49Å; S194-A217 WeakPolarHBondContact O-CB 3.48Å; C212-A217 HydrophobicContact CB-CB 4.23Å; C212-A217 WeakPolarHBondContact O-CB 3.27Å; C212-A217 PolarHBondContact O-N 2.85Å; C212-A217 VanDerWaalsContact O-N 3.1Å; A217-I220 HydrophobicContact CB-CD1 4.23Å; A217-I220 HydrophobicContact CB-CG1 3.92Å
218A98.4Very high98.4Very high63 Ų6338.5 Ų38.552%0.52122%0.221SC..SBendtrans-79.3-34.1-179.500000112.4G193 S194 G216G193-A218 WeakPolarHBondContact O-CB 3.36Å; S194-A218 PolarHBondContact O-N 2.75Å; G216-A218 PolarHBondContact O-N 3.01Å
219R98.6Very high98.2Very high68 Ų6840.8 Ų40.826%0.25723%0.23SC..EExtended strand (participates in β ladder)trans-130.7133.5178.9-69.6179.270.2-169.53109.9S194 T195 C196 E240 M258S194-R219 PolarHBondContact O-N 3.07Å; T195-R219 CarbonylContact C-O 3.59Å; T195-R219 WeakPolarHBondContact CA-O 3.28Å; T195-R219 HydrophobicContact CG2-CB 3.9Å; C196-R219 PolarHBondContact N-O 3.32Å; R219-E240 IonicContact CZ-OE2 2.74Å; R219-E240 IonicContact NE-OE2 2.82Å; R219-E240 PolarHBondContact NE-OE2 2.94Å; R219-E240 IonicContact NH2-OE1 3.09Å; R219-E240 PolarHBondContact NH2-OE1 3.09Å; R219-E240 VanDerWaalsContact NH2-OE1 3.14Å; R219-E240 IonicContact NH2-OE2 3.41Å; R219-E240 PolarHBondContact NH2-OE2 3.38Å; R219-M258 PolarHBondContact NH1-O 3.45Å; R219-M258 PolarHBondContact NH2-O 2.71Å
220I98.9Very high98.2Very high3 Ų342.2 Ų42.22%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-133.4105.2178.7-56.3169.4000107.9C196 V198 V209 C212 K213 A217 A238 T239 E240C196-I220 WeakPolarHBondContact O-CA 3.41Å; V198-I220 HydrophobicContact CG2-CG2 4.48Å; V209-I220 HydrophobicContact CB-CG2 4.44Å; V209-I220 HydrophobicContact CG1-CG2 4.17Å; V209-I220 HydrophobicContact CG2-CG2 4.09Å; C212-I220 HydrophobicContact CB-CD1 3.71Å; C212-I220 HydrophobicContact CB-CG1 4.02Å; K213-I220 HydrophobicContact CB-CD1 3.94Å; A217-I220 HydrophobicContact CB-CD1 4.23Å; A217-I220 HydrophobicContact CB-CG1 3.92Å; I220-A238 CarbonylContact O-C 3.6Å; I220-A238 WeakPolarHBondContact O-CA 3.35Å; I220-T239 PolarHBondContact N-OG1 3.35Å; I220-T239 PolarHBondContact O-N 3.31Å; I220-T239 PolarHBondContact O-OG1 2.82Å; I220-E240 PolarHBondContact O-N 2.73Å
221I98.9Very high98.2Very high0 Ų048.2 Ų48.20%026%0.262CS..EExtended strand (participates in β ladder)trans-96.7111.5-175.7-52.7171.2000108.9T195 C196 A197 V198 V223 E240 L242 L255 M258 I263T195-I221 HydrophobicContact CG2-CD1 4.32Å; C196-I221 PolarHBondContact O-N 3.14Å; A197-I221 CarbonylContact C-O 3.54Å; A197-I221 WeakPolarHBondContact CA-O 3.27Å; V198-I221 PolarHBondContact N-O 2.9Å; I221-V223 HydrophobicContact CG2-CG2 4.47Å; I221-E240 WeakPolarHBondContact CA-O 3.42Å; I221-E240 HydrophobicContact CG1-CB 4.38Å; I221-E240 HydrophobicContact CG2-CB 4.46Å; I221-L242 HydrophobicContact CG2-CD1 3.83Å; I221-L242 HydrophobicContact CG2-CG 4.06Å; I221-L255 HydrophobicContact CB-CD2 4.38Å; I221-L255 HydrophobicContact CD1-CD2 3.79Å; I221-L255 HydrophobicContact CG2-CD2 3.85Å; I221-M258 HydrophobicContact CD1-CE 4.29Å; I221-I263 HydrophobicContact CD1-CD1 3.98Å
222G98.9Very high98.1Very high0 Ų050.7 Ų50.70%027%0.273CS..EExtended strand (participates in β ladder)trans-82.1134.2173.400000111.8E240 C241 L242G222-E240 PolarHBondContact N-O 2.92Å; G222-C241 CarbonylContact O-C 3.5Å; G222-C241 VanDerWaalsContact O-CA 3.22Å; G222-C241 WeakPolarHBondContact O-CA 3.37Å; G222-L242 PolarHBondContact O-N 3.02Å
223V98.9Very high98.1Very high4 Ų450.7 Ų50.72%0.02427%0.273CS..EExtended strand (participates in β ladder)trans-124.2115.5178.4-176.40000109.5V198 F199 G200 I221 L242 P244 I251V198-V223 PolarHBondContact O-N 3.2Å; F199-V223 HydrophobicContact CD1-CB 4.06Å; F199-V223 HydrophobicContact CD1-CG1 3.88Å; F199-V223 HydrophobicContact CD1-CG2 4.48Å; F199-V223 HydrophobicContact CE1-CB 4.36Å; F199-V223 HydrophobicContact CE1-CG1 4.05Å; F199-V223 HydrophobicContact CE1-CG2 4.36Å; F199-V223 HydrophobicContact CG-CB 4.31Å; F199-V223 HydrophobicContact CZ-CG2 4.46Å; G200-V223 PolarHBondContact N-O 3.16Å; I221-V223 HydrophobicContact CG2-CG2 4.47Å; V223-L242 WeakPolarHBondContact CA-O 3.47Å; V223-P244 HydrophobicContact CG1-CG 3.59Å; V223-I251 HydrophobicContact CG1-CD1 4.24Å; V223-I251 HydrophobicContact CG1-CG1 4.06Å; V223-I251 HydrophobicContact CG2-CD1 4.4Å; V223-I251 HydrophobicContact CG2-CG1 4.47Å
224D98.6Very high98.1Very high12 Ų1249.9 Ų49.96%0.06427%0.271CS..  trans-152.8148.3174.8-156.7-67.9000110.4L201 N226 K229 F230 L242 N243L201-D224 HydrophobicContact CB-CB 4.04Å; L201-D224 HydrophobicContact CD1-CB 3.82Å; L201-D224 HydrophobicContact CG-CB 3.91Å; L201-D224 PolarHBondContact N-OD2 2.71Å; D224-N226 VanDerWaalsContact C-N 3.29Å; D224-N226 PolarHBondContact OD1-N 3.41Å; D224-K229 HydrophobicContact CB-CD 4.39Å; D224-K229 VanDerWaalsContact CG-NZ 3.26Å; D224-K229 IonicContact OD1-NZ 2.78Å; D224-K229 PolarHBondContact OD1-NZ 3.07Å; D224-K229 VanDerWaalsContact OD2-CD 3.29Å; D224-K229 WeakPolarHBondContact OD2-CD 3.23Å; D224-K229 IonicContact OD2-NZ 2.69Å; D224-K229 PolarHBondContact OD2-NZ 3.45Å; D224-F230 HydrophobicContact CB-CE1 4.02Å; D224-F230 WeakPolarHBondContact O-CE1 3.34Å; D224-F230 WeakPolarHBondContact O-CZ 3.23Å; D224-L242 PolarHBondContact N-O 3.15Å; D224-N243 WeakPolarHBondContact O-CA 3.27Å
225V97.6Very high98.1Very high87 Ų8751.3 Ų51.353%0.52727%0.266SS..SBendtrans-76.3-20.2176.7-62.20000112.4N243 L245V225-N243 PolarHBondContact O-ND2 3.43Å; V225-L245 HydrophobicContact CB-CD1 4.07Å; V225-L245 HydrophobicContact CB-CG 4.44Å; V225-L245 HydrophobicContact CG1-CD1 4.26Å; V225-L245 HydrophobicContact CG1-CG 4.16Å
226N96.6Very high98Very high38 Ų3851.1 Ų51.120%0.20326%0.262CS..  trans-96.5104.4174.9-176.3-0.9000110.9D224 E228 K229D224-N226 VanDerWaalsContact C-N 3.29Å; D224-N226 PolarHBondContact OD1-N 3.41Å; N226-E228 PolarHBondContact O-N 3.36Å; N226-E228 VanDerWaalsContact OD1-CB 3.28Å; N226-E228 WeakPolarHBondContact OD1-CB 3.28Å; N226-E228 WeakPolarHBondContact OD1-CG 3.49Å; N226-E228 PolarHBondContact OD1-N 3.48Å; N226-K229 HydrophobicContact CB-CD 4.19Å; N226-K229 HydrophobicContact CB-CG 4.49Å; N226-K229 PolarHBondContact O-N 3.08Å
227K97.2Very high98Very high103 Ų10349.9 Ų49.945%0.44825%0.249SC..G310 helixtrans-64.1-22.1179.7-55.6-172.3-169.9-178.70113.7K229 F230 N243 D246K227-K229 PolarHBondContact O-N 3.17Å; K227-K229 VanDerWaalsContact O-N 3.1Å; K227-F230 HydrophobicContact CB-CD2 4.03Å; K227-F230 HydrophobicContact CB-CE2 3.96Å; K227-F230 HydrophobicContact CB-CZ 4.44Å; K227-F230 HydrophobicContact CD-CE2 4.47Å; K227-F230 HydrophobicContact CG-CD2 4.32Å; K227-F230 HydrophobicContact CG-CE2 3.76Å; K227-F230 HydrophobicContact CG-CZ 4.15Å; K227-F230 WeakPolarHBondContact O-CB 3.29Å; K227-F230 WeakPolarHBondContact O-CG 3.44Å; K227-F230 PolarHBondContact O-N 3.02Å; K227-N243 VanDerWaalsContact CE-ND2 3.31Å; K227-N243 WeakPolarHBondContact CE-ND2 3.47Å; K227-N243 HydrophobicContact CG-CB 4.18Å; K227-N243 WeakPolarHBondContact CG-ND2 3.37Å; K227-D246 WeakPolarHBondContact CE-OD1 3.4Å; K227-D246 WeakPolarHBondContact CE-OD2 3.34Å; K227-D246 IonicContact NZ-OD1 3.97Å; K227-D246 PolarHBondContact NZ-OD1 3.23Å; K227-D246 IonicContact NZ-OD2 3.45Å; K227-D246 PolarHBondContact NZ-OD2 3.27Å
228E95.5Very high98Very high143 Ų14349.5 Ų49.567%0.66825%0.246SC*.G310 helixtrans-60.5-22.5177.9-61.9-176.216400112.3N226N226-E228 PolarHBondContact O-N 3.36Å; N226-E228 VanDerWaalsContact OD1-CB 3.28Å; N226-E228 WeakPolarHBondContact OD1-CB 3.28Å; N226-E228 WeakPolarHBondContact OD1-CG 3.49Å; N226-E228 PolarHBondContact OD1-N 3.48Å
229K96.4Very high98Very high48 Ų4849.6 Ų49.621%0.20924%0.24CC..G310 helixtrans-79.2-18.6177.9-63.8169.8177.9167.90113.9L201 D224 N226 K227 K231 K232 A233L201-K229 HydrophobicContact CB-CB 3.99Å; L201-K229 HydrophobicContact CB-CD 4.08Å; D224-K229 HydrophobicContact CB-CD 4.39Å; D224-K229 VanDerWaalsContact CG-NZ 3.26Å; D224-K229 IonicContact OD1-NZ 2.78Å; D224-K229 PolarHBondContact OD1-NZ 3.07Å; D224-K229 VanDerWaalsContact OD2-CD 3.29Å; D224-K229 WeakPolarHBondContact OD2-CD 3.23Å; D224-K229 IonicContact OD2-NZ 2.69Å; D224-K229 PolarHBondContact OD2-NZ 3.45Å; N226-K229 HydrophobicContact CB-CD 4.19Å; N226-K229 HydrophobicContact CB-CG 4.49Å; N226-K229 PolarHBondContact O-N 3.08Å; K227-K229 PolarHBondContact O-N 3.17Å; K227-K229 VanDerWaalsContact O-N 3.1Å; K229-K231 PolarHBondContact O-N 3.05Å; K229-K232 PolarHBondContact O-N 3.24Å; K229-A233 PolarHBondContact O-N 3.04Å
230F98.3Very high98Very high29 Ų2949.1 Ų49.113%0.12724%0.241CC..Hα-helixtrans-64-42.4-170.7-66.2-6.8000112.3L201 D224 K227 K232 A233 Q234 C241 L242 N243L201-F230 HydrophobicContact CD1-CD1 3.74Å; L201-F230 HydrophobicContact CD1-CE1 4Å; D224-F230 HydrophobicContact CB-CE1 4.02Å; D224-F230 WeakPolarHBondContact O-CE1 3.34Å; D224-F230 WeakPolarHBondContact O-CZ 3.23Å; K227-F230 HydrophobicContact CB-CD2 4.03Å; K227-F230 HydrophobicContact CB-CE2 3.96Å; K227-F230 HydrophobicContact CB-CZ 4.44Å; K227-F230 HydrophobicContact CD-CE2 4.47Å; K227-F230 HydrophobicContact CG-CD2 4.32Å; K227-F230 HydrophobicContact CG-CE2 3.76Å; K227-F230 HydrophobicContact CG-CZ 4.15Å; K227-F230 WeakPolarHBondContact O-CB 3.29Å; K227-F230 WeakPolarHBondContact O-CG 3.44Å; K227-F230 PolarHBondContact O-N 3.02Å; F230-K232 VanDerWaalsContact C-N 3.3Å; F230-K232 PolarHBondContact O-N 3.29Å; F230-A233 WeakPolarHBondContact O-CB 3.21Å; F230-A233 PolarHBondContact O-N 3.01Å; F230-A233 VanDerWaalsContact O-N 3.1Å; F230-Q234 WeakPolarHBondContact O-CG 3.4Å; F230-Q234 PolarHBondContact O-N 3.34Å; F230-C241 HydrophobicContact CB-CB 3.81Å; F230-C241 HydrophobicContact CD1-CB 3.67Å; F230-C241 HydrophobicContact CD2-CB 3.61Å; F230-C241 HydrophobicContact CE1-CB 4.07Å; F230-C241 HydrophobicContact CE2-CB 4.01Å; F230-C241 HydrophobicContact CG-CB 3.42Å; F230-C241 VanDerWaalsContact CG-CB 3.42Å; F230-C241 HydrophobicContact CZ-CB 4.23Å; F230-L242 WeakPolarHBondContact CZ-O 3.48Å; F230-N243 HydrophobicContact CE2-CB 4.27Å; F230-N243 HydrophobicContact CZ-CB 3.92Å
231K97.6Very high98Very high150 Ų15050.2 Ų50.265%0.65225%0.248SC*.Hα-helixtrans-54.9-47.9177.8-176.9-179176.7-177.30111.3K229 Q234 E235K229-K231 PolarHBondContact O-N 3.05Å; K231-Q234 PolarHBondContact O-N 3.49Å; K231-E235 VanDerWaalsContact CE-OE1 3.28Å; K231-E235 WeakPolarHBondContact CE-OE1 3.24Å; K231-E235 WeakPolarHBondContact O-CG 3.35Å; K231-E235 PolarHBondContact O-N 2.9Å
232K97.8Very high98Very high53 Ų5351.6 Ų51.623%0.2326%0.255CS..Hα-helixtrans-67.2-38.6178.8-176.560.966.3-169.40112.1L206 K229 F230 Q234 E235 L236 P344 I368L206-K232 HydrophobicContact CD1-CG 3.93Å; K229-K232 PolarHBondContact O-N 3.24Å; F230-K232 VanDerWaalsContact C-N 3.3Å; F230-K232 PolarHBondContact O-N 3.29Å; K232-Q234 VanDerWaalsContact C-N 3.32Å; K232-Q234 PolarHBondContact O-N 3.31Å; K232-E235 WeakPolarHBondContact CE-OE2 3.3Å; K232-E235 IonicContact NZ-OE2 3Å; K232-E235 PolarHBondContact NZ-OE2 2.85Å; K232-E235 PolarHBondContact O-N 2.94Å; K232-L236 HydrophobicContact CD-CD1 4.03Å; K232-L236 HydrophobicContact CD-CG 4.34Å; K232-L236 HydrophobicContact CG-CD1 4.04Å; K232-L236 WeakPolarHBondContact O-CG 3.36Å; K232-L236 PolarHBondContact O-N 2.85Å; K232-L236 VanDerWaalsContact O-N 3.14Å; K232-P344 HydrophobicContact CD-CB 4.25Å; K232-I368 HydrophobicContact CB-CD1 4.21Å; K232-I368 HydrophobicContact CG-CD1 3.64Å
233A98.6Very high98Very high0 Ų052 Ų520%026%0.258CS..Hα-helixtrans-60.3-43.2175.300000111.8L201 L206 K229 F230 L236 G237 A238L201-A233 HydrophobicContact CD1-CB 3.88Å; L201-A233 HydrophobicContact CD2-CB 3.99Å; L201-A233 HydrophobicContact CG-CB 4.42Å; L206-A233 HydrophobicContact CD2-CB 3.73Å; K229-A233 PolarHBondContact O-N 3.04Å; F230-A233 WeakPolarHBondContact O-CB 3.21Å; F230-A233 PolarHBondContact O-N 3.01Å; F230-A233 VanDerWaalsContact O-N 3.1Å; A233-L236 PolarHBondContact O-N 3.46Å; A233-G237 PolarHBondContact O-N 2.83Å; A233-A238 HydrophobicContact CB-CB 3.92Å; A233-A238 WeakPolarHBondContact O-CB 3.32Å; A233-A238 PolarHBondContact O-N 2.98Å
234Q98.6Very high97.9Very high103 Ų10353.9 Ų53.948%0.48127%0.27SS..Hα-helixtrans-66.2-43.3177.3-69.4176.3-4800112.4F230 K231 K232 L236 G237 A238F230-Q234 WeakPolarHBondContact O-CG 3.4Å; F230-Q234 PolarHBondContact O-N 3.34Å; K231-Q234 PolarHBondContact O-N 3.49Å; K232-Q234 VanDerWaalsContact C-N 3.32Å; K232-Q234 PolarHBondContact O-N 3.31Å; Q234-L236 PolarHBondContact O-N 3.45Å; Q234-L236 VanDerWaalsContact O-N 3.16Å; Q234-G237 PolarHBondContact O-N 3.37Å; Q234-G237 VanDerWaalsContact O-N 3.17Å; Q234-A238 WeakPolarHBondContact CA-O 3.45Å
235E97.9Very high97.9Very high100 Ų10059.6 Ų59.647%0.46730%0.3SS..Hα-helixtrans-53.9-34.6172.4-74170-168.400112K231 K232K231-E235 VanDerWaalsContact CE-OE1 3.28Å; K231-E235 WeakPolarHBondContact CE-OE1 3.24Å; K231-E235 WeakPolarHBondContact O-CG 3.35Å; K231-E235 PolarHBondContact O-N 2.9Å; K232-E235 WeakPolarHBondContact CE-OE2 3.3Å; K232-E235 IonicContact NZ-OE2 3Å; K232-E235 PolarHBondContact NZ-OE2 2.85Å; K232-E235 PolarHBondContact O-N 2.94Å
236L98.3Very high97.9Very high17 Ų1760 Ų609%0.08930%0.299CS..Hα-helixtrans-91.2-12.3-177.2-68.2171.5000114.8L206 V209 M210 K213 K232 A233 Q234 P344 L345L206-L236 HydrophobicContact CB-CD1 3.95Å; L206-L236 HydrophobicContact CD1-CD1 4.25Å; L206-L236 HydrophobicContact CD2-CD1 4.19Å; L206-L236 HydrophobicContact CG-CD1 4.36Å; V209-L236 HydrophobicContact CG1-CB 4.41Å; M210-L236 HydrophobicContact CG-CB 4.08Å; M210-L236 HydrophobicContact CG-CD2 4.1Å; M210-L236 HydrophobicContact CG-CG 4.46Å; M210-L236 HydrophobicContact SD-CD1 4.38Å; M210-L236 HydrophobicContact SD-CD2 4.05Å; K213-L236 WeakPolarHBondContact CD-O 3.34Å; K232-L236 HydrophobicContact CD-CD1 4.03Å; K232-L236 HydrophobicContact CD-CG 4.34Å; K232-L236 HydrophobicContact CG-CD1 4.04Å; K232-L236 WeakPolarHBondContact O-CG 3.36Å; K232-L236 PolarHBondContact O-N 2.85Å; K232-L236 VanDerWaalsContact O-N 3.14Å; A233-L236 PolarHBondContact O-N 3.46Å; Q234-L236 PolarHBondContact O-N 3.45Å; Q234-L236 VanDerWaalsContact O-N 3.16Å; L236-P344 HydrophobicContact CD1-CB 4.25Å; L236-P344 HydrophobicContact CD2-CB 3.5Å; L236-P344 VanDerWaalsContact CD2-CB 3.5Å; L236-P344 HydrophobicContact CD2-CG 3.79Å; L236-P344 HydrophobicContact CG-CB 4.24Å; L236-L345 HydrophobicContact CD1-CD2 4.09Å
237G98.4Very high97.9Very high12 Ų1260.7 Ų60.712%0.12430%0.302CS..THydrogen-bonded Turntrans139.6-7.4173.500000116.8A233 Q234 T239A233-G237 PolarHBondContact O-N 2.83Å; Q234-G237 PolarHBondContact O-N 3.37Å; Q234-G237 VanDerWaalsContact O-N 3.17Å; G237-T239 PolarHBondContact O-N 3.1Å
238A98.8Very high97.8Very high7 Ų766.1 Ų66.16%0.05833%0.326CS..  trans-62.3127.5175.200000109.6V209 I220 A233 Q234V209-A238 HydrophobicContact CG1-CB 4.31Å; I220-A238 CarbonylContact O-C 3.6Å; I220-A238 WeakPolarHBondContact O-CA 3.35Å; A233-A238 HydrophobicContact CB-CB 3.92Å; A233-A238 WeakPolarHBondContact O-CB 3.32Å; A233-A238 PolarHBondContact O-N 2.98Å; Q234-A238 WeakPolarHBondContact CA-O 3.45Å
239T98.8Very high97.9Very high65 Ų6564.1 Ų64.140%0.39932%0.315SS..SBendtrans-80.7-34.9176.754.80000110.7I220 G237I220-T239 PolarHBondContact N-OG1 3.35Å; I220-T239 PolarHBondContact O-N 3.31Å; I220-T239 PolarHBondContact O-OG1 2.82Å; G237-T239 PolarHBondContact O-N 3.1Å
240E98.2Very high98Very high57 Ų5764.7 Ų64.727%0.26632%0.324SS..EExtended strand (participates in β ladder)trans-139.3152.3-175.4-64.8161.284.900108.8R219 I220 I221 G222 M258R219-E240 IonicContact CZ-OE2 2.74Å; R219-E240 IonicContact NE-OE2 2.82Å; R219-E240 PolarHBondContact NE-OE2 2.94Å; R219-E240 IonicContact NH2-OE1 3.09Å; R219-E240 PolarHBondContact NH2-OE1 3.09Å; R219-E240 VanDerWaalsContact NH2-OE1 3.14Å; R219-E240 IonicContact NH2-OE2 3.41Å; R219-E240 PolarHBondContact NH2-OE2 3.38Å; I220-E240 PolarHBondContact O-N 2.73Å; I221-E240 WeakPolarHBondContact CA-O 3.42Å; I221-E240 HydrophobicContact CG1-CB 4.38Å; I221-E240 HydrophobicContact CG2-CB 4.46Å; G222-E240 PolarHBondContact N-O 2.92Å; E240-M258 WeakPolarHBondContact OE1-CE 3.41Å
241C98.7Very high98Very high26 Ų2664.1 Ų64.118%0.17632%0.322CS..EExtended strand (participates in β ladder)trans-135.8136.9173.3-73.70000110.4G222 F230G222-C241 CarbonylContact O-C 3.5Å; G222-C241 VanDerWaalsContact O-CA 3.22Å; G222-C241 WeakPolarHBondContact O-CA 3.37Å; F230-C241 HydrophobicContact CB-CB 3.81Å; F230-C241 HydrophobicContact CD1-CB 3.67Å; F230-C241 HydrophobicContact CD2-CB 3.61Å; F230-C241 HydrophobicContact CE1-CB 4.07Å; F230-C241 HydrophobicContact CE2-CB 4.01Å; F230-C241 HydrophobicContact CG-CB 3.42Å; F230-C241 VanDerWaalsContact CG-CB 3.42Å; F230-C241 HydrophobicContact CZ-CB 4.23Å
242L98.6Very high97.9Very high29 Ų2959.4 Ų59.415%0.15230%0.302CS..EExtended strand (participates in β ladder)trans-124.6136.4-178.1-60174.9000110.3I221 G222 V223 D224 F230 I251 V254 L255 M258I221-L242 HydrophobicContact CG2-CD1 3.83Å; I221-L242 HydrophobicContact CG2-CG 4.06Å; G222-L242 PolarHBondContact O-N 3.02Å; V223-L242 WeakPolarHBondContact CA-O 3.47Å; D224-L242 PolarHBondContact N-O 3.15Å; F230-L242 WeakPolarHBondContact CZ-O 3.48Å; L242-I251 HydrophobicContact CB-CD1 4.12Å; L242-I251 HydrophobicContact CD1-CD1 3.85Å; L242-V254 HydrophobicContact CD1-CG1 4.46Å; L242-L255 HydrophobicContact CD1-CD2 3.81Å; L242-M258 HydrophobicContact CD1-CE 4.24Å; L242-M258 HydrophobicContact CD1-SD 3.65Å; L242-M258 HydrophobicContact CD2-CE 4.47Å; L242-M258 HydrophobicContact CD2-SD 4.23Å
243N98.5Very high97.8Very high10 Ų1061.1 Ų61.15%0.05331%0.311CS..  trans-102.7115.1166.5-173.1-24.4000108.7D224 V225 K227 F230 L245 D246D224-N243 WeakPolarHBondContact O-CA 3.27Å; V225-N243 PolarHBondContact O-ND2 3.43Å; K227-N243 VanDerWaalsContact CE-ND2 3.31Å; K227-N243 WeakPolarHBondContact CE-ND2 3.47Å; K227-N243 HydrophobicContact CG-CB 4.18Å; K227-N243 WeakPolarHBondContact CG-ND2 3.37Å; F230-N243 HydrophobicContact CE2-CB 4.27Å; F230-N243 HydrophobicContact CZ-CB 3.92Å; N243-L245 PolarHBondContact O-N 3.18Å; N243-L245 VanDerWaalsContact OD1-CB 3.3Å; N243-L245 WeakPolarHBondContact OD1-CB 3.44Å; N243-L245 WeakPolarHBondContact OD1-CG 3.41Å; N243-L245 PolarHBondContact OD1-N 2.86Å; N243-D246 WeakPolarHBondContact CB-OD2 3.43Å; N243-D246 PolarHBondContact O-N 3.08Å
244P98Very high97.8Very high42 Ų4262.2 Ų62.227%0.27332%0.318SS..G310 helixtrans-55.3-26.1178.2-27.335.9000114.5V223 D246 L247 I251V223-P244 HydrophobicContact CG1-CG 3.59Å; P244-D246 VanDerWaalsContact C-N 3.29Å; P244-D246 PolarHBondContact O-N 3.1Å; P244-L247 PolarHBondContact O-N 3.23Å; P244-I251 HydrophobicContact CB-CB 4.48Å; P244-I251 HydrophobicContact CG-CB 4.44Å; P244-I251 HydrophobicContact CG-CD1 4.5Å; P244-I251 HydrophobicContact CG-CG1 4.42Å
245L97.1Very high97.7Very high133 Ų13357.3 Ų57.370%0.69630%0.295SS*.G310 helixtrans-73.9-16.8-179.6-56.7179000113.9V225 N243V225-L245 HydrophobicContact CB-CD1 4.07Å; V225-L245 HydrophobicContact CB-CG 4.44Å; V225-L245 HydrophobicContact CG1-CD1 4.26Å; V225-L245 HydrophobicContact CG1-CG 4.16Å; N243-L245 PolarHBondContact O-N 3.18Å; N243-L245 VanDerWaalsContact OD1-CB 3.3Å; N243-L245 WeakPolarHBondContact OD1-CB 3.44Å; N243-L245 WeakPolarHBondContact OD1-CG 3.41Å; N243-L245 PolarHBondContact OD1-N 2.86Å
246D97.6Very high97.6Very high96 Ų9655.2 Ų55.251%0.51328%0.284SS..G310 helixtrans-88.2-8175.3-60.5-34.8000112.5K227 N243 P244K227-D246 WeakPolarHBondContact CE-OD1 3.4Å; K227-D246 WeakPolarHBondContact CE-OD2 3.34Å; K227-D246 IonicContact NZ-OD1 3.97Å; K227-D246 PolarHBondContact NZ-OD1 3.23Å; K227-D246 IonicContact NZ-OD2 3.45Å; K227-D246 PolarHBondContact NZ-OD2 3.27Å; N243-D246 WeakPolarHBondContact CB-OD2 3.43Å; N243-D246 PolarHBondContact O-N 3.08Å; P244-D246 VanDerWaalsContact C-N 3.29Å; P244-D246 PolarHBondContact O-N 3.1Å
247L96.2Very high97.5Very high51 Ų5158.8 Ų58.827%0.26730%0.303SS..  trans-92.9144-169.8-54.7178000111.2P244 K249 I251 V254P244-L247 PolarHBondContact O-N 3.23Å; L247-K249 WeakPolarHBondContact CB-O 3.35Å; L247-I251 HydrophobicContact CD1-CB 4.41Å; L247-I251 HydrophobicContact CD1-CD1 3.45Å; L247-I251 VanDerWaalsContact CD1-CD1 3.45Å; L247-V254 HydrophobicContact CB-CG2 4.44Å; L247-V254 HydrophobicContact CD1-CB 4.19Å; L247-V254 HydrophobicContact CD1-CG1 4.25Å; L247-V254 HydrophobicContact CD1-CG2 3.97Å; L247-V254 HydrophobicContact CD2-CG1 4.38Å; L247-V254 HydrophobicContact CD2-CG2 4.46Å
248K96.8Very high97.3Very high218 Ų21860.7 Ų60.795%0.94831%0.31SS*.SBendtrans-85-23.3173.7-63.9-178.1-179.7178.90113
249K97.6Very high97Very high100 Ų10061.2 Ų61.244%0.43531%0.312SS..SBendtrans-109.5157.3178.2-64.6-174.9-176.3-178.20109.7L247 E253 V254 D257L247-K249 WeakPolarHBondContact CB-O 3.35Å; K249-E253 HydrophobicContact CB-CB 4.34Å; K249-E253 HydrophobicContact CD-CB 4.34Å; K249-V254 HydrophobicContact CB-CG2 3.89Å; K249-D257 IonicContact NZ-OD2 2.7Å; K249-D257 PolarHBondContact NZ-OD2 3.38Å
250P97.3Very high96.6Very high60 Ų6065.5 Ų65.539%0.3933%0.333SS..  trans-52.4143.1167.7-24.634.6000111.9Q252 E253 V254P250-Q252 VanDerWaalsContact CB-CD 3.47Å; P250-Q252 HydrophobicContact CB-CG 4.48Å; P250-Q252 VanDerWaalsContact CB-NE2 3.31Å; P250-Q252 PolarHBondContact O-N 3.4Å; P250-Q252 VanDerWaalsContact O-N 3.16Å; P250-E253 PolarHBondContact O-N 3.41Å; P250-V254 PolarHBondContact O-N 3.29Å
251I97.8Very high96.2Very high17 Ų1765.2 Ų65.29%0.08734%0.337CS..Hα-helixtrans-56.2-36.6-174.8-176.662.9000112.8F199 V223 L242 P244 L247 E253 V254 L255 A278F199-I251 HydrophobicContact CE1-CG1 4.12Å; F199-I251 HydrophobicContact CE1-CG2 3.96Å; F199-I251 HydrophobicContact CZ-CG1 4.5Å; V223-I251 HydrophobicContact CG1-CD1 4.24Å; V223-I251 HydrophobicContact CG1-CG1 4.06Å; V223-I251 HydrophobicContact CG2-CD1 4.4Å; V223-I251 HydrophobicContact CG2-CG1 4.47Å; L242-I251 HydrophobicContact CB-CD1 4.12Å; L242-I251 HydrophobicContact CD1-CD1 3.85Å; P244-I251 HydrophobicContact CB-CB 4.48Å; P244-I251 HydrophobicContact CG-CB 4.44Å; P244-I251 HydrophobicContact CG-CD1 4.5Å; P244-I251 HydrophobicContact CG-CG1 4.42Å; L247-I251 HydrophobicContact CD1-CB 4.41Å; L247-I251 HydrophobicContact CD1-CD1 3.45Å; L247-I251 VanDerWaalsContact CD1-CD1 3.45Å; I251-E253 VanDerWaalsContact C-N 3.33Å; I251-E253 PolarHBondContact O-N 3.26Å; I251-V254 PolarHBondContact O-N 3.41Å; I251-L255 HydrophobicContact CD1-CD1 4.49Å; I251-L255 HydrophobicContact CD1-CG 4.32Å; I251-L255 HydrophobicContact CG1-CD1 4.05Å; I251-L255 HydrophobicContact CG1-CG 4.33Å; I251-L255 WeakPolarHBondContact O-CG 3.38Å; I251-L255 PolarHBondContact O-N 3.22Å; I251-A278 HydrophobicContact CG2-CB 4Å
252Q96.1Very high96Very high52 Ų5264 Ų6424%0.24333%0.329CS..Hα-helixtrans-64.4-35.8178.965.8-82.914.500113P250 F256 A281 S282P250-Q252 VanDerWaalsContact CB-CD 3.47Å; P250-Q252 HydrophobicContact CB-CG 4.48Å; P250-Q252 VanDerWaalsContact CB-NE2 3.31Å; P250-Q252 PolarHBondContact O-N 3.4Å; P250-Q252 VanDerWaalsContact O-N 3.16Å; Q252-F256 VanDerWaalsContact O-CD2 3.31Å; Q252-F256 WeakPolarHBondContact O-CD2 3.4Å; Q252-F256 PolarHBondContact O-N 2.85Å; Q252-F256 VanDerWaalsContact O-N 3.11Å; Q252-A281 HydrophobicContact CB-CB 4.01Å; Q252-A281 HydrophobicContact CG-CB 3.97Å; Q252-S282 VanDerWaalsContact CA-OG 3.28Å; Q252-S282 WeakPolarHBondContact CA-OG 3.43Å; Q252-S282 VanDerWaalsContact CB-OG 3.26Å; Q252-S282 WeakPolarHBondContact CB-OG 3.36Å
253E96.5Very high96Very high88 Ų8862.7 Ų62.741%0.41132%0.322SS..Hα-helixtrans-70.1-41.1175.6-67.6177.1-150.200110.6K249 P250 I251 L255 F256 D257K249-E253 HydrophobicContact CB-CB 4.34Å; K249-E253 HydrophobicContact CD-CB 4.34Å; P250-E253 PolarHBondContact O-N 3.41Å; I251-E253 VanDerWaalsContact C-N 3.33Å; I251-E253 PolarHBondContact O-N 3.26Å; E253-L255 VanDerWaalsContact C-N 3.32Å; E253-L255 PolarHBondContact O-N 3.4Å; E253-F256 WeakPolarHBondContact O-CB 3.47Å; E253-F256 PolarHBondContact O-N 3.4Å; E253-D257 VanDerWaalsContact O-CG 3.32Å; E253-D257 PolarHBondContact O-N 2.65Å
254V97.9Very high96Very high24 Ų2463.5 Ų63.515%0.14533%0.327CS..Hα-helixtrans-62.2-41.4176.3176.90000111.2L242 L247 K249 P250 I251 F256 D257 M258L242-V254 HydrophobicContact CD1-CG1 4.46Å; L247-V254 HydrophobicContact CB-CG2 4.44Å; L247-V254 HydrophobicContact CD1-CB 4.19Å; L247-V254 HydrophobicContact CD1-CG1 4.25Å; L247-V254 HydrophobicContact CD1-CG2 3.97Å; L247-V254 HydrophobicContact CD2-CG1 4.38Å; L247-V254 HydrophobicContact CD2-CG2 4.46Å; K249-V254 HydrophobicContact CB-CG2 3.89Å; P250-V254 PolarHBondContact O-N 3.29Å; I251-V254 PolarHBondContact O-N 3.41Å; V254-F256 VanDerWaalsContact C-N 3.35Å; V254-F256 PolarHBondContact O-N 3.2Å; V254-D257 PolarHBondContact O-N 3.13Å; V254-M258 HydrophobicContact CG1-CG 4.35Å; V254-M258 HydrophobicContact CG1-SD 3.87Å; V254-M258 WeakPolarHBondContact O-CB 3.47Å; V254-M258 WeakPolarHBondContact O-CG 3.43Å; V254-M258 PolarHBondContact O-N 2.89Å
255L97.6Very high96Very high0 Ų062.4 Ų62.40%032%0.318CS..Hα-helixtrans-66.4-35.4177.3-71.6172.8000112.5A197 F199 I221 L242 I251 E253 T259 I263 S282A197-L255 HydrophobicContact CB-CD1 4.26Å; F199-L255 HydrophobicContact CE2-CD1 4.26Å; F199-L255 HydrophobicContact CZ-CD1 3.69Å; I221-L255 HydrophobicContact CB-CD2 4.38Å; I221-L255 HydrophobicContact CD1-CD2 3.79Å; I221-L255 HydrophobicContact CG2-CD2 3.85Å; L242-L255 HydrophobicContact CD1-CD2 3.81Å; I251-L255 HydrophobicContact CD1-CD1 4.49Å; I251-L255 HydrophobicContact CD1-CG 4.32Å; I251-L255 HydrophobicContact CG1-CD1 4.05Å; I251-L255 HydrophobicContact CG1-CG 4.33Å; I251-L255 WeakPolarHBondContact O-CG 3.38Å; I251-L255 PolarHBondContact O-N 3.22Å; E253-L255 VanDerWaalsContact C-N 3.32Å; E253-L255 PolarHBondContact O-N 3.4Å; L255-T259 WeakPolarHBondContact O-CG2 3.36Å; L255-T259 PolarHBondContact O-N 3.24Å; L255-T259 PolarHBondContact O-OG1 2.89Å; L255-I263 HydrophobicContact CB-CD1 4.38Å; L255-I263 HydrophobicContact CB-CG1 4.25Å; L255-I263 HydrophobicContact CD2-CD1 4.32Å; L255-S282 WeakPolarHBondContact CD1-OG 3.47Å
256F95.4Very high96.1Very high55 Ų5556.1 Ų56.124%0.24128%0.284CS..Hα-helixtrans-63.5-51.3170.3-94.4-71.2000111.7Q252 E253 V254 M258 T259 D260 G262 A281 C283 E285Q252-F256 VanDerWaalsContact O-CD2 3.31Å; Q252-F256 WeakPolarHBondContact O-CD2 3.4Å; Q252-F256 PolarHBondContact O-N 2.85Å; Q252-F256 VanDerWaalsContact O-N 3.11Å; E253-F256 WeakPolarHBondContact O-CB 3.47Å; E253-F256 PolarHBondContact O-N 3.4Å; V254-F256 VanDerWaalsContact C-N 3.35Å; V254-F256 PolarHBondContact O-N 3.2Å; F256-M258 PolarHBondContact O-N 3.04Å; F256-T259 PolarHBondContact O-N 2.9Å; F256-T259 PolarHBondContact O-OG1 2.73Å; F256-D260 PolarHBondContact O-N 3.41Å; F256-G262 VanDerWaalsContact CD1-CA 3.49Å; F256-G262 VanDerWaalsContact CE1-CA 3.43Å; F256-A281 WeakPolarHBondContact CE2-O 3.3Å; F256-C283 WeakPolarHBondContact CZ-O 3.2Å; F256-E285 HydrophobicContact CE1-CG 4.3Å; F256-E285 HydrophobicContact CZ-CG 4Å
257D94.8Very high96.2Very high92 Ų9251.5 Ų51.549%0.49226%0.26SS..Hα-helixtrans-58.1-32.6179-69.7-12.8000111.8K249 E253 V254K249-D257 IonicContact NZ-OD2 2.7Å; K249-D257 PolarHBondContact NZ-OD2 3.38Å; E253-D257 VanDerWaalsContact O-CG 3.32Å; E253-D257 PolarHBondContact O-N 2.65Å; V254-D257 PolarHBondContact O-N 3.13Å
258M95.3Very high96.3Very high52 Ų5249.1 Ų49.126%0.25625%0.247SC..THydrogen-bonded Turntrans-78.7-14.2179.2-76176.366.500115R219 I221 E240 L242 V254 F256R219-M258 PolarHBondContact NH1-O 3.45Å; R219-M258 PolarHBondContact NH2-O 2.71Å; I221-M258 HydrophobicContact CD1-CE 4.29Å; E240-M258 WeakPolarHBondContact OE1-CE 3.41Å; L242-M258 HydrophobicContact CD1-CE 4.24Å; L242-M258 HydrophobicContact CD1-SD 3.65Å; L242-M258 HydrophobicContact CD2-CE 4.47Å; L242-M258 HydrophobicContact CD2-SD 4.23Å; V254-M258 HydrophobicContact CG1-CG 4.35Å; V254-M258 HydrophobicContact CG1-SD 3.87Å; V254-M258 WeakPolarHBondContact O-CB 3.47Å; V254-M258 WeakPolarHBondContact O-CG 3.43Å; V254-M258 PolarHBondContact O-N 2.89Å; F256-M258 PolarHBondContact O-N 3.04Å
259T93.4Very high96.4Very high19 Ų1939.7 Ų39.712%0.11721%0.21CC..THydrogen-bonded Turntrans-123.7-11.5-173.555.70000113.5T195 L255 F256 S261 G262 I263T195-T259 HydrophobicContact CG2-CG2 4.07Å; L255-T259 WeakPolarHBondContact O-CG2 3.36Å; L255-T259 PolarHBondContact O-N 3.24Å; L255-T259 PolarHBondContact O-OG1 2.89Å; F256-T259 PolarHBondContact O-N 2.9Å; F256-T259 PolarHBondContact O-OG1 2.73Å; T259-S261 PolarHBondContact O-N 2.81Å; T259-S261 PolarHBondContact O-OG 3Å; T259-G262 VanDerWaalsContact OG1-CA 3.28Å; T259-G262 WeakPolarHBondContact OG1-CA 3.2Å; T259-G262 PolarHBondContact OG1-N 3.17Å; T259-I263 HydrophobicContact CG2-CD1 3.73Å
260D88.9Confident96.3Very high155 Ų15538.5 Ų38.583%0.82921%0.208SC*.SBendtrans57.5-1.5-175.3-58.4-49.1000115F256F256-D260 PolarHBondContact O-N 3.41Å
261S90.1Very high96.1Very high51 Ų5136.1 Ų36.136%0.35719%0.194SC..SBendtrans-142.1-9.6-175.864.50000114.3T259 N284T259-S261 PolarHBondContact O-N 2.81Å; T259-S261 PolarHBondContact O-OG 3Å; S261-N284 WeakPolarHBondContact O-CA 3.45Å; S261-N284 WeakPolarHBondContact O-CB 3.32Å; S261-N284 PolarHBondContact O-ND2 2.83Å
262G94.9Very high95.9Very high1 Ų138.3 Ų38.31%0.0121%0.206CC..  trans82.3174.1-167.600000112.6F256 T259F256-G262 VanDerWaalsContact CD1-CA 3.49Å; F256-G262 VanDerWaalsContact CE1-CA 3.43Å; T259-G262 VanDerWaalsContact OG1-CA 3.28Å; T259-G262 WeakPolarHBondContact OG1-CA 3.2Å; T259-G262 PolarHBondContact OG1-N 3.17Å
263I98.4Very high95.8Very high0 Ų037.8 Ų37.80%021%0.205CC..BIsolated β-bridgetrans-89.6136.9-170.2-54.2-67.6000111.7T195 A197 I221 L255 T259 F265 S282 C283 N284T195-I263 HydrophobicContact CG2-CD1 3.72Å; T195-I263 WeakPolarHBondContact O-CG2 3.33Å; A197-I263 HydrophobicContact CB-CD1 4.25Å; A197-I263 HydrophobicContact CB-CG1 4.07Å; A197-I263 HydrophobicContact CB-CG2 3.86Å; I221-I263 HydrophobicContact CD1-CD1 3.98Å; L255-I263 HydrophobicContact CB-CD1 4.38Å; L255-I263 HydrophobicContact CB-CG1 4.25Å; L255-I263 HydrophobicContact CD2-CD1 4.32Å; T259-I263 HydrophobicContact CG2-CD1 3.73Å; I263-F265 WeakPolarHBondContact CG2-O 3.35Å; I263-S282 WeakPolarHBondContact CB-O 3.24Å; I263-S282 WeakPolarHBondContact CG1-O 3.45Å; I263-S282 PolarHBondContact N-O 3.48Å; I263-C283 CarbonylContact O-C 3.53Å; I263-C283 VanDerWaalsContact O-CA 3.27Å; I263-C283 WeakPolarHBondContact O-CA 3.34Å; I263-N284 PolarHBondContact O-N 3.35Å
264D98.7Very high95.7Very high28 Ų2839.5 Ų39.515%0.1522%0.217CC..SBendtrans-68.2-46177.7-55-44.3000111.3S194 T195 Y287 G288 V289S194-D264 WeakPolarHBondContact CA-OD2 3.31Å; S194-D264 VanDerWaalsContact CB-OD2 3.24Å; S194-D264 WeakPolarHBondContact CB-OD2 2.94Å; T195-D264 PolarHBondContact N-OD2 3.1Å; T195-D264 WeakPolarHBondContact O-CB 3.49Å; T195-D264 PolarHBondContact O-N 3.44Å; T195-D264 VanDerWaalsContact O-N 3.16Å; D264-Y287 VanDerWaalsContact OD1-CE2 3.31Å; D264-Y287 WeakPolarHBondContact OD1-CE2 3.44Å; D264-G288 WeakPolarHBondContact O-CA 3.43Å; D264-V289 PolarHBondContact O-N 2.89Å
265F98.9Very high95.6Very high19 Ų1940 Ų408%0.08322%0.22CC..EExtended strand (participates in β ladder)trans-133.4112.8-177.6-56-80000112.3A188 V190 T191 T195 C196 A197 I263 F267 V289A188-F265 HydrophobicContact CB-CD1 3.86Å; A188-F265 HydrophobicContact CB-CE1 4.42Å; A188-F265 WeakPolarHBondContact O-CE1 3.29Å; V190-F265 HydrophobicContact CB-CD2 4.4Å; V190-F265 HydrophobicContact CG1-CD2 4.28Å; V190-F265 HydrophobicContact CG1-CE2 4.5Å; V190-F265 HydrophobicContact CG2-CB 4.26Å; V190-F265 HydrophobicContact CG2-CD1 4.44Å; V190-F265 HydrophobicContact CG2-CD2 4.12Å; V190-F265 HydrophobicContact CG2-CG 4.02Å; T191-F265 HydrophobicContact CG2-CZ 4.42Å; T195-F265 PolarHBondContact O-N 3.37Å; C196-F265 CarbonylContact C-O 3.59Å; C196-F265 WeakPolarHBondContact CA-O 3.42Å; A197-F265 PolarHBondContact N-O 3.04Å; I263-F265 WeakPolarHBondContact CG2-O 3.35Å; F265-F267 HydrophobicContact CB-CE2 3.78Å; F265-F267 HydrophobicContact CB-CZ 4.12Å; F265-V289 CarbonylContact C-O 3.57Å; F265-V289 WeakPolarHBondContact CA-O 3.15Å; F265-V289 HydrophobicContact CD1-CB 3.9Å; F265-V289 HydrophobicContact CD1-CG2 4.29Å; F265-V289 HydrophobicContact CE1-CB 4.23Å; F265-V289 HydrophobicContact CE1-CG2 4.11Å
266C98.8Very high95.5Very high0 Ų040.1 Ų40.10%022%0.221CC..EExtended strand (participates in β ladder)trans-101.4144.3171.2-72.70000111.2A197 A279 C283 V289 C290 V291A197-C266 CarbonylContact O-C 3.49Å; A197-C266 WeakPolarHBondContact O-CA 3.43Å; C266-A279 HydrophobicContact CB-CB 4.2Å; C266-A279 WeakPolarHBondContact CB-O 3.37Å; C266-A279 PolarHBondContact SG-O 2.85Å; C266-C283 VanDerWaalsContact CB-SG 3.58Å; C266-V289 PolarHBondContact N-O 3.46Å; C266-C290 HydrophobicContact CB-CB 4.38Å; C266-C290 CarbonylContact O-C 3.19Å; C266-C290 WeakPolarHBondContact O-CA 3.45Å; C266-V291 PolarHBondContact O-N 3.2Å
267F98.9Very high95.5Very high0 Ų039.5 Ų39.50%023%0.225CC..EExtended strand (participates in β ladder)trans-128.4123.6176.3-58.8-93.3000110.3A183 A184 A188 V190 C196 A197 V198 F199 V208 F265 V291 V293A183-F267 HydrophobicContact CB-CD1 4.37Å; A183-F267 HydrophobicContact CB-CE1 4.41Å; A184-F267 HydrophobicContact CB-CE1 4.33Å; A184-F267 HydrophobicContact CB-CZ 4.12Å; A188-F267 HydrophobicContact CB-CE1 3.61Å; A188-F267 HydrophobicContact CB-CZ 3.49Å; A188-F267 VanDerWaalsContact CB-CZ 3.49Å; V190-F267 HydrophobicContact CG2-CE2 4.23Å; V190-F267 HydrophobicContact CG2-CZ 3.73Å; C196-F267 HydrophobicContact CB-CE2 4.37Å; A197-F267 PolarHBondContact O-N 3.32Å; V198-F267 HydrophobicContact CG1-CB 4.49Å; V198-F267 HydrophobicContact CG2-CD2 4.18Å; F199-F267 PolarHBondContact N-O 3.27Å; V208-F267 HydrophobicContact CG1-CB 3.83Å; V208-F267 HydrophobicContact CG1-CD1 3.67Å; V208-F267 HydrophobicContact CG1-CD2 3.54Å; V208-F267 HydrophobicContact CG1-CE1 4.08Å; V208-F267 HydrophobicContact CG1-CE2 3.96Å; V208-F267 HydrophobicContact CG1-CG 3.39Å; V208-F267 HydrophobicContact CG1-CZ 4.21Å; V208-F267 HydrophobicContact CG2-CD1 4.5Å; F265-F267 HydrophobicContact CB-CE2 3.78Å; F265-F267 HydrophobicContact CB-CZ 4.12Å; F267-V291 WeakPolarHBondContact CA-O 3.34Å; F267-V291 HydrophobicContact CD1-CB 3.83Å; F267-V291 HydrophobicContact CD1-CG1 4.42Å; F267-V291 HydrophobicContact CD1-CG2 4.3Å; F267-V291 HydrophobicContact CE1-CB 4.12Å; F267-V291 HydrophobicContact CE1-CG2 4.09Å; F267-V293 HydrophobicContact CD1-CG2 4.46Å
268E98.5Very high95.6Very high0 Ų035.7 Ų35.70%021%0.207CC..EExtended strand (participates in β ladder)trans-96.8109.3171.4-158.5-67146.200108.7I270 G271 N272 T275 L276 A279 V291 V293 G294E268-I270 WeakPolarHBondContact OE1-CA 3.38Å; E268-I270 WeakPolarHBondContact OE1-CB 3.46Å; E268-I270 PolarHBondContact OE1-N 3.48Å; E268-I270 VanDerWaalsContact OE1-N 3.16Å; E268-I270 PolarHBondContact OE2-N 3.27Å; E268-G271 VanDerWaalsContact CD-N 3.26Å; E268-G271 PolarHBondContact OE1-N 3.35Å; E268-G271 WeakPolarHBondContact OE2-CA 3.31Å; E268-G271 PolarHBondContact OE2-N 3.27Å; E268-N272 PolarHBondContact OE1-N 3.42Å; E268-T275 PolarHBondContact OE1-OG1 2.81Å; E268-L276 HydrophobicContact CB-CD1 3.9Å; E268-L276 HydrophobicContact CG-CB 3.89Å; E268-L276 HydrophobicContact CG-CD1 4.2Å; E268-A279 HydrophobicContact CB-CB 4.49Å; E268-V291 PolarHBondContact N-O 3.27Å; E268-V293 CarbonylContact O-C 3.56Å; E268-V293 WeakPolarHBondContact O-CA 3.38Å; E268-V293 WeakPolarHBondContact O-CB 3.27Å; E268-V293 PolarHBondContact O-N 3.36Å; E268-G294 PolarHBondContact O-N 2.87Å
269A98.1Very high95.7Very high21 Ų2133.2 Ų33.217%0.17420%0.195CC..  trans-118.720.7-175.800000113.1F199F199-A269 WeakPolarHBondContact O-CA 3.28Å; F199-A269 WeakPolarHBondContact O-CB 3.41Å; F199-A269 PolarHBondContact O-N 3.37Å
270I96Very high95.8Very high74 Ų7433.1 Ų33.138%0.37919%0.193SC..SBendtrans-105.6-43.4178.3-50.8166.3000109.8K52 F199 G200 E268 N272 T275K52-I270 WeakPolarHBondContact CE-O 3.43Å; K52-I270 PolarHBondContact NZ-O 3.03Å; F199-I270 HydrophobicContact CB-CD1 4.48Å; G200-I270 VanDerWaalsContact CA-CG1 3.47Å; E268-I270 WeakPolarHBondContact OE1-CA 3.38Å; E268-I270 WeakPolarHBondContact OE1-CB 3.46Å; E268-I270 PolarHBondContact OE1-N 3.48Å; E268-I270 VanDerWaalsContact OE1-N 3.16Å; E268-I270 PolarHBondContact OE2-N 3.27Å; I270-N272 HydrophobicContact CG2-CB 4.5Å; I270-T275 HydrophobicContact CD1-CG2 4Å
271G93.4Very high96.1Very high10 Ų1027.2 Ų27.210%0.10317%0.166CC..  trans86.243-173.400000112.4E268 V295E268-G271 VanDerWaalsContact CD-N 3.26Å; E268-G271 PolarHBondContact OE1-N 3.35Å; E268-G271 WeakPolarHBondContact OE2-CA 3.31Å; E268-G271 PolarHBondContact OE2-N 3.27Å; G271-V295 WeakPolarHBondContact CA-O 3.35Å
272N93.4Very high96.4Very high64 Ų6424.8 Ų24.834%0.34215%0.149SC..  trans-118.6141.5172.7169.5-72.6000109.9E268 I270 D274 T275 L276E268-N272 PolarHBondContact OE1-N 3.42Å; I270-N272 HydrophobicContact CG2-CB 4.5Å; N272-D274 WeakPolarHBondContact OD1-CA 3.32Å; N272-D274 WeakPolarHBondContact OD1-CB 3.38Å; N272-D274 PolarHBondContact OD1-N 3.49Å; N272-T275 HydrophobicContact CB-CG2 4.43Å; N272-T275 WeakPolarHBondContact CB-OG1 3.45Å; N272-T275 PolarHBondContact O-OG1 2.89Å; N272-T275 PolarHBondContact OD1-N 3.22Å; N272-T275 PolarHBondContact OD1-OG1 3.4Å; N272-L276 WeakPolarHBondContact O-CB 3.4Å; N272-L276 PolarHBondContact O-N 3.19Å
273L93.8Very high96.5Very high40 Ų4024.8 Ų24.821%0.20915%0.149CC..Hα-helixtrans-71.5-35.7-174.1-70.8169.6000112.5L276 A277 L296 L302L273-L276 PolarHBondContact O-N 3.43Å; L273-A277 WeakPolarHBondContact O-CB 3.47Å; L273-A277 PolarHBondContact O-N 3.33Å; L273-L296 HydrophobicContact CD2-CD1 4.04Å; L273-L296 HydrophobicContact CD2-CD2 4.02Å; L273-L296 HydrophobicContact CG-CD2 4.45Å; L273-L302 HydrophobicContact CD2-CB 4.27Å
274D94.3Very high96.4Very high124 Ų12425.5 Ų25.566%0.66315%0.153SC*.Hα-helixtrans-71.3-41.8179.9-54.3-41.1000110.6N272 L276 A277 A278N272-D274 WeakPolarHBondContact OD1-CA 3.32Å; N272-D274 WeakPolarHBondContact OD1-CB 3.38Å; N272-D274 PolarHBondContact OD1-N 3.49Å; D274-L276 VanDerWaalsContact C-N 3.29Å; D274-L276 PolarHBondContact O-N 3.4Å; D274-A277 PolarHBondContact O-N 2.94Å; D274-A278 WeakPolarHBondContact O-CB 3.4Å; D274-A278 PolarHBondContact O-N 3.25Å
275T96.1Very high96.3Very high35 Ų3528 Ų2822%0.21516%0.163CC..Hα-helixtrans-66.6-33.3174.253.80000111.7E268 I270 N272 A279E268-T275 PolarHBondContact OE1-OG1 2.81Å; I270-T275 HydrophobicContact CD1-CG2 4Å; N272-T275 HydrophobicContact CB-CG2 4.43Å; N272-T275 WeakPolarHBondContact CB-OG1 3.45Å; N272-T275 PolarHBondContact O-OG1 2.89Å; N272-T275 PolarHBondContact OD1-N 3.22Å; N272-T275 PolarHBondContact OD1-OG1 3.4Å; T275-A279 VanDerWaalsContact O-CB 3.23Å; T275-A279 WeakPolarHBondContact O-CB 3.48Å; T275-A279 PolarHBondContact O-N 3.43Å
276L96.5Very high96.1Very high3 Ų331.1 Ų31.12%0.01619%0.188CC..Hα-helixtrans-65.8-46172.5-18051.4000112.1E268 N272 L273 D274 A278 A279 L280 V292 L296 L302 L314E268-L276 HydrophobicContact CB-CD1 3.9Å; E268-L276 HydrophobicContact CG-CB 3.89Å; E268-L276 HydrophobicContact CG-CD1 4.2Å; N272-L276 WeakPolarHBondContact O-CB 3.4Å; N272-L276 PolarHBondContact O-N 3.19Å; L273-L276 PolarHBondContact O-N 3.43Å; D274-L276 VanDerWaalsContact C-N 3.29Å; D274-L276 PolarHBondContact O-N 3.4Å; L276-A278 VanDerWaalsContact C-N 3.32Å; L276-A278 PolarHBondContact O-N 2.95Å; L276-A279 PolarHBondContact O-N 3.12Å; L276-L280 WeakPolarHBondContact O-CB 3.49Å; L276-L280 PolarHBondContact O-N 2.81Å; L276-V292 HydrophobicContact CD1-CG2 3.64Å; L276-V292 HydrophobicContact CD2-CG1 4.21Å; L276-V292 HydrophobicContact CD2-CG2 3.71Å; L276-V292 HydrophobicContact CG-CG2 4.35Å; L276-L296 HydrophobicContact CD2-CD1 3.89Å; L276-L296 HydrophobicContact CD2-CD2 4.31Å; L276-L302 HydrophobicContact CB-CD1 4.3Å; L276-L302 HydrophobicContact CD2-CD1 4.21Å; L276-L302 HydrophobicContact CD2-CD2 3.79Å; L276-L302 HydrophobicContact CD2-CG 4.5Å; L276-L302 HydrophobicContact CG-CD1 4.07Å; L276-L302 HydrophobicContact CG-CD2 3.95Å; L276-L314 HydrophobicContact CD1-CD1 4.08Å
277A95.1Very high96Very high41 Ų4137.1 Ų37.134%0.33921%0.212SC..Hα-helixtrans-59.9-44.5176.100000111.1L273 D274 L280 A281 L302L273-A277 WeakPolarHBondContact O-CB 3.47Å; L273-A277 PolarHBondContact O-N 3.33Å; D274-A277 PolarHBondContact O-N 2.94Å; A277-L280 PolarHBondContact O-N 2.88Å; A277-A281 WeakPolarHBondContact O-CB 3.35Å; A277-A281 PolarHBondContact O-N 2.78Å; A277-L302 HydrophobicContact CB-CD1 4.06Å
278A95.8Very high96Very high13 Ų1337.1 Ų37.111%0.10721%0.212CC..Hα-helixtrans-63.7-43.317600000112.4I251 D274 L276 A281 S282I251-A278 HydrophobicContact CG2-CB 4Å; D274-A278 WeakPolarHBondContact O-CB 3.4Å; D274-A278 PolarHBondContact O-N 3.25Å; L276-A278 VanDerWaalsContact C-N 3.32Å; L276-A278 PolarHBondContact O-N 2.95Å; A278-A281 PolarHBondContact O-N 3.04Å; A278-S282 WeakPolarHBondContact O-CB 3.11Å; A278-S282 PolarHBondContact O-N 3.26Å; A278-S282 PolarHBondContact O-OG 2.92Å
279A97.2Very high96Very high0 Ų037.8 Ų37.80%022%0.216CC..Hα-helixtrans-61.5-44.8177.100000111.7F199 C266 E268 T275 L276 S282 C283F199-A279 HydrophobicContact CD2-CB 3.64Å; F199-A279 HydrophobicContact CE2-CB 3.64Å; F199-A279 HydrophobicContact CG-CB 4.17Å; F199-A279 HydrophobicContact CZ-CB 4.15Å; C266-A279 HydrophobicContact CB-CB 4.2Å; C266-A279 WeakPolarHBondContact CB-O 3.37Å; C266-A279 PolarHBondContact SG-O 2.85Å; E268-A279 HydrophobicContact CB-CB 4.49Å; T275-A279 VanDerWaalsContact O-CB 3.23Å; T275-A279 WeakPolarHBondContact O-CB 3.48Å; T275-A279 PolarHBondContact O-N 3.43Å; L276-A279 PolarHBondContact O-N 3.12Å; A279-S282 PolarHBondContact O-N 3.37Å; A279-C283 PolarHBondContact O-N 2.84Å
280L96.1Very high96Very high16 Ų1636.8 Ų36.88%0.08421%0.207CC..Hα-helixtrans-64.1-42.7175.3178.462.1000111.8L276 A277 S282 C283 C290 I304 L308 R312 L314L276-L280 WeakPolarHBondContact O-CB 3.49Å; L276-L280 PolarHBondContact O-N 2.81Å; A277-L280 PolarHBondContact O-N 2.88Å; L280-S282 VanDerWaalsContact C-N 3.28Å; L280-S282 PolarHBondContact O-N 3.16Å; L280-C283 WeakPolarHBondContact O-CB 3.38Å; L280-C283 PolarHBondContact O-N 2.87Å; L280-C290 HydrophobicContact CB-CB 4.19Å; L280-C290 HydrophobicContact CD1-CB 3.77Å; L280-I304 HydrophobicContact CD2-CG2 4.32Å; L280-L308 HydrophobicContact CD1-CD1 4.48Å; L280-R312 HydrophobicContact CD1-CB 4.33Å; L280-R312 WeakPolarHBondContact O-CD 3.28Å; L280-R312 PolarHBondContact O-NE 3.23Å; L280-L314 HydrophobicContact CD1-CB 4.38Å; L280-L314 HydrophobicContact CD2-CD2 4.43Å
281A94.8Very high96.1Very high32 Ų3233.3 Ų33.326%0.26419%0.189SC..Hα-helixtrans-62.3-37.1177.200000111.6Q252 F256 A277 A278 C283 R312Q252-A281 HydrophobicContact CB-CB 4.01Å; Q252-A281 HydrophobicContact CG-CB 3.97Å; F256-A281 WeakPolarHBondContact CE2-O 3.3Å; A277-A281 WeakPolarHBondContact O-CB 3.35Å; A277-A281 PolarHBondContact O-N 2.78Å; A278-A281 PolarHBondContact O-N 3.04Å; A281-C283 PolarHBondContact O-N 3.16Å; A281-R312 PolarHBondContact O-NH2 2.72Å; A281-R312 VanDerWaalsContact O-NH2 3.14Å
282S96.4Very high96.3Very high0 Ų034 Ų340%019%0.192CC..Hα-helixtrans-67.2-17.9179.9-52.70000114Q252 L255 I263 A278 A279 L280Q252-S282 VanDerWaalsContact CA-OG 3.28Å; Q252-S282 WeakPolarHBondContact CA-OG 3.43Å; Q252-S282 VanDerWaalsContact CB-OG 3.26Å; Q252-S282 WeakPolarHBondContact CB-OG 3.36Å; L255-S282 WeakPolarHBondContact CD1-OG 3.47Å; I263-S282 WeakPolarHBondContact CB-O 3.24Å; I263-S282 WeakPolarHBondContact CG1-O 3.45Å; I263-S282 PolarHBondContact N-O 3.48Å; A278-S282 WeakPolarHBondContact O-CB 3.11Å; A278-S282 PolarHBondContact O-N 3.26Å; A278-S282 PolarHBondContact O-OG 2.92Å; A279-S282 PolarHBondContact O-N 3.37Å; L280-S282 VanDerWaalsContact C-N 3.28Å; L280-S282 PolarHBondContact O-N 3.16Å
283C96.8Very high96.6Very high0 Ų031.8 Ų31.80%018%0.18CC..BIsolated β-bridgetrans-65.9146.5178.8-72.10000111.7F256 I263 C266 A279 L280 A281 E285 R312F256-C283 WeakPolarHBondContact CZ-O 3.2Å; I263-C283 CarbonylContact O-C 3.53Å; I263-C283 VanDerWaalsContact O-CA 3.27Å; I263-C283 WeakPolarHBondContact O-CA 3.34Å; C266-C283 VanDerWaalsContact CB-SG 3.58Å; A279-C283 PolarHBondContact O-N 2.84Å; L280-C283 WeakPolarHBondContact O-CB 3.38Å; L280-C283 PolarHBondContact O-N 2.87Å; A281-C283 PolarHBondContact O-N 3.16Å; C283-E285 PolarHBondContact O-N 3.37Å; C283-R312 HydrophobicContact CB-CG 4.21Å; C283-R312 PolarHBondContact O-NE 2.87Å; C283-R312 PolarHBondContact O-NH2 2.88Å
284N97.3Very high96.6Very high15 Ų1530.3 Ų30.38%0.0818%0.175CC..  trans-49.6134.5165.7177.1-76.3000110.1S261 I263 S286 Y287 G288 R312S261-N284 WeakPolarHBondContact O-CA 3.45Å; S261-N284 WeakPolarHBondContact O-CB 3.32Å; S261-N284 PolarHBondContact O-ND2 2.83Å; I263-N284 PolarHBondContact O-N 3.35Å; N284-S286 VanDerWaalsContact C-N 3.32Å; N284-S286 PolarHBondContact O-N 2.98Å; N284-S286 PolarHBondContact OD1-N 2.71Å; N284-Y287 HydrophobicContact CB-CD2 4.32Å; N284-Y287 HydrophobicContact CB-CE2 3.9Å; N284-Y287 PolarHBondContact ND2-OH 2.9Å; N284-Y287 VanDerWaalsContact OD1-CD1 3.28Å; N284-Y287 WeakPolarHBondContact OD1-CD1 3.45Å; N284-Y287 WeakPolarHBondContact OD1-CE1 3.2Å; N284-Y287 PolarHBondContact OD1-N 3.43Å; N284-G288 WeakPolarHBondContact O-CA 3.43Å; N284-G288 PolarHBondContact O-N 3.4Å; N284-R312 WeakPolarHBondContact O-CG 3.47Å
285E95.3Very high96.3Very high80 Ų8028.1 Ų28.137%0.37417%0.166SC..THydrogen-bonded Turntrans-70.6-27.6-167.9-45.3-143.7106.400113.7F256 C283 S310 G311 R312F256-E285 HydrophobicContact CE1-CG 4.3Å; F256-E285 HydrophobicContact CZ-CG 4Å; C283-E285 PolarHBondContact O-N 3.37Å; E285-S310 CarbonylContact O-C 3.37Å; E285-S310 WeakPolarHBondContact O-CB 3.36Å; E285-S310 PolarHBondContact O-OG 2.73Å; E285-G311 PolarHBondContact O-N 2.99Å; E285-R312 PolarHBondContact O-N 3.34Å; E285-R312 IonicContact OE1-CZ 2.92Å; E285-R312 IonicContact OE1-NH1 2.71Å; E285-R312 PolarHBondContact OE1-NH1 2.97Å; E285-R312 VanDerWaalsContact OE1-NH1 3.09Å; E285-R312 IonicContact OE1-NH2 3.66Å; E285-R312 PolarHBondContact OE1-NH2 3.27Å
286S95.9Very high96Very high85 Ų8529 Ų2959%0.59417%0.169SC*.THydrogen-bonded Turntrans-93.9-27.9-171.9-59.90000113.8N284 G311N284-S286 VanDerWaalsContact C-N 3.32Å; N284-S286 PolarHBondContact O-N 2.98Å; N284-S286 PolarHBondContact OD1-N 2.71Å; S286-G311 CarbonylContact O-C 3.34Å; S286-G311 WeakPolarHBondContact O-CA 3.48Å
287Y96.8Very high95.4Very high127 Ų12732.5 Ų32.550%0.49819%0.192SC..THydrogen-bonded Turntrans-149-2-173.656.2-101.9000114.9D264 N284D264-Y287 VanDerWaalsContact OD1-CE2 3.31Å; D264-Y287 WeakPolarHBondContact OD1-CE2 3.44Å; N284-Y287 HydrophobicContact CB-CD2 4.32Å; N284-Y287 HydrophobicContact CB-CE2 3.9Å; N284-Y287 PolarHBondContact ND2-OH 2.9Å; N284-Y287 VanDerWaalsContact OD1-CD1 3.28Å; N284-Y287 WeakPolarHBondContact OD1-CD1 3.45Å; N284-Y287 WeakPolarHBondContact OD1-CE1 3.2Å; N284-Y287 PolarHBondContact OD1-N 3.43Å
288G98.1Very high94.7Very high0 Ų033.8 Ų33.80%020%0.203CC..  trans-65.8145.3-173.500000113.1D264 N284 R312 S313D264-G288 WeakPolarHBondContact O-CA 3.43Å; N284-G288 WeakPolarHBondContact O-CA 3.43Å; N284-G288 PolarHBondContact O-N 3.4Å; G288-R312 CarbonylContact O-C 3.58Å; G288-R312 WeakPolarHBondContact O-CA 3.43Å; G288-S313 PolarHBondContact O-N 3.07Å
289V98.6Very high94.1Very high14 Ų1437 Ų379%0.08524%0.236CC..EExtended strand (participates in β ladder)trans-116.3121.8-176.3-176.30000110D264 F265 C266 V291 S313 K315D264-V289 PolarHBondContact O-N 2.89Å; F265-V289 CarbonylContact C-O 3.57Å; F265-V289 WeakPolarHBondContact CA-O 3.15Å; F265-V289 HydrophobicContact CD1-CB 3.9Å; F265-V289 HydrophobicContact CD1-CG2 4.29Å; F265-V289 HydrophobicContact CE1-CB 4.23Å; F265-V289 HydrophobicContact CE1-CG2 4.11Å; C266-V289 PolarHBondContact N-O 3.46Å; V289-V291 HydrophobicContact CG1-CG2 4.14Å; V289-S313 WeakPolarHBondContact CA-O 3.4Å; V289-K315 HydrophobicContact CG1-CD 4.11Å
290C98.1Very high93.5Very high0 Ų038.6 Ų38.60%025%0.254CS..EExtended strand (participates in β ladder)trans-102.5127170.9-1730000110.2C266 L280 S313 L314 K315C266-C290 HydrophobicContact CB-CB 4.38Å; C266-C290 CarbonylContact O-C 3.19Å; C266-C290 WeakPolarHBondContact O-CA 3.45Å; L280-C290 HydrophobicContact CB-CB 4.19Å; L280-C290 HydrophobicContact CD1-CB 3.77Å; C290-S313 PolarHBondContact N-O 2.84Å; C290-L314 HydrophobicContact CB-CD1 4.07Å; C290-L314 WeakPolarHBondContact O-CA 3.49Å; C290-K315 PolarHBondContact O-N 3.26Å
291V98.7Very high93.2Very high0 Ų046.1 Ų46.10%029%0.288CS..EExtended strand (participates in β ladder)trans-111.8120.4178.4-175.50000110.7A183 T187 A188 C266 F267 E268 V289 V293 K315A183-V291 HydrophobicContact CB-CG1 4.41Å; T187-V291 HydrophobicContact CG2-CG1 3.93Å; T187-V291 HydrophobicContact CG2-CG2 4.36Å; A188-V291 HydrophobicContact CB-CG2 3.88Å; C266-V291 PolarHBondContact O-N 3.2Å; F267-V291 WeakPolarHBondContact CA-O 3.34Å; F267-V291 HydrophobicContact CD1-CB 3.83Å; F267-V291 HydrophobicContact CD1-CG1 4.42Å; F267-V291 HydrophobicContact CD1-CG2 4.3Å; F267-V291 HydrophobicContact CE1-CB 4.12Å; F267-V291 HydrophobicContact CE1-CG2 4.09Å; E268-V291 PolarHBondContact N-O 3.27Å; V289-V291 HydrophobicContact CG1-CG2 4.14Å; V291-V293 HydrophobicContact CG1-CG2 3.97Å; V291-K315 CarbonylContact C-O 3.58Å; V291-K315 WeakPolarHBondContact CA-O 3.31Å
292V98.1Very high92.9Very high25 Ų2546.7 Ų46.715%0.15229%0.286CS..EExtended strand (participates in β ladder)trans-79.1116.2169.9-166.20000109L276 L296 L314 K315 S317L276-V292 HydrophobicContact CD1-CG2 3.64Å; L276-V292 HydrophobicContact CD2-CG1 4.21Å; L276-V292 HydrophobicContact CD2-CG2 3.71Å; L276-V292 HydrophobicContact CG-CG2 4.35Å; V292-L296 HydrophobicContact CG1-CD1 4.28Å; V292-L296 HydrophobicContact CG1-CG 4.36Å; V292-L314 HydrophobicContact CG2-CD1 3.83Å; V292-K315 PolarHBondContact N-O 3.43Å; V292-S317 PolarHBondContact O-N 2.94Å
293V98.1Very high92.3Very high17 Ų1753.8 Ų53.810%0.10333%0.325CS..  trans-115.2-34.9176.3-169.40000110.5T179 A183 V204 F267 E268 V291T179-V293 HydrophobicContact CG2-CG1 3.6Å; A183-V293 HydrophobicContact CB-CG2 3.69Å; V204-V293 HydrophobicContact CG1-CG1 3.55Å; F267-V293 HydrophobicContact CD1-CG2 4.46Å; E268-V293 CarbonylContact O-C 3.56Å; E268-V293 WeakPolarHBondContact O-CA 3.38Å; E268-V293 WeakPolarHBondContact O-CB 3.27Å; E268-V293 PolarHBondContact O-N 3.36Å; V291-V293 HydrophobicContact CG1-CG2 3.97Å
294G93.9Very high91.5Very high10 Ų1057.1 Ų57.110%0.10334%0.342CS..SBendtrans-69136.8177.300000113.2E268 L296E268-G294 PolarHBondContact O-N 2.87Å; G294-L296 PolarHBondContact O-N 2.83Å
295V89.7Confident90.7Very high77 Ų7759.4 Ų59.447%0.46736%0.359SS..  trans-67113.2172.6-178.60000110.3K52 G271K52-V295 HydrophobicContact CD-CB 4.35Å; K52-V295 PolarHBondContact NZ-O 3.18Å; G271-V295 WeakPolarHBondContact CA-O 3.35Å
296L88.8Confident90.1Very high54 Ų5458.8 Ų58.828%0.28337%0.374SS..PPolyproline II helixtrans-75.6157.5177.2-64.2174.4000112L273 L276 V292 G294L273-L296 HydrophobicContact CD2-CD1 4.04Å; L273-L296 HydrophobicContact CD2-CD2 4.02Å; L273-L296 HydrophobicContact CG-CD2 4.45Å; L276-L296 HydrophobicContact CD2-CD1 3.89Å; L276-L296 HydrophobicContact CD2-CD2 4.31Å; V292-L296 HydrophobicContact CG1-CD1 4.28Å; V292-L296 HydrophobicContact CG1-CG 4.36Å; G294-L296 PolarHBondContact O-N 2.83Å
297P84.4Confident89.1Confident76 Ų7660.1 Ų60.149%0.49437%0.371SS..PPolyproline II helixtrans-60.1145.1175-22.133.4000112.9G299 G300P297-G299 PolarHBondContact O-N 2.87Å; P297-G300 PolarHBondContact O-N 2.79Å
298A80.5Confident88.7Confident69 Ų6957.2 Ų57.257%0.5736%0.363SS*.THydrogen-bonded Turntrans-59.8131.8174.900000110.9G300A298-G300 PolarHBondContact O-N 2.93Å
299G82.9Confident88.3Confident79 Ų7966.7 Ų66.781%0.81441%0.405SS*.THydrogen-bonded Turntrans73.6-0.4-176.600000115.1P297P297-G299 PolarHBondContact O-N 2.87Å
300G84.9Confident88Confident35 Ų3568.5 Ų68.536%0.36142%0.418SS..  trans-62.2134.7175.800000111.9P297 A298P297-G300 PolarHBondContact O-N 2.79Å; A298-G300 PolarHBondContact O-N 2.93Å
301Q88.9Confident87.9Confident174 Ų17470 Ų7081%0.81343%0.434SS*.  trans-115.4126.6177.2-66.3-176.7-8.100109.5
302L88.1Confident87.7Confident43 Ų4370.9 Ų70.923%0.22544%0.437CS..  trans-84.3122.6171.9-177.568.8000108.7L273 L276 A277 I304 L314L273-L302 HydrophobicContact CD2-CB 4.27Å; L276-L302 HydrophobicContact CB-CD1 4.3Å; L276-L302 HydrophobicContact CD2-CD1 4.21Å; L276-L302 HydrophobicContact CD2-CD2 3.79Å; L276-L302 HydrophobicContact CD2-CG 4.5Å; L276-L302 HydrophobicContact CG-CD1 4.07Å; L276-L302 HydrophobicContact CG-CD2 3.95Å; A277-L302 HydrophobicContact CB-CD1 4.06Å; L302-I304 HydrophobicContact CD2-CD1 4.15Å; L302-I304 HydrophobicContact CD2-CG1 3.76Å; L302-I304 HydrophobicContact CG-CG1 3.92Å; L302-I304 PolarHBondContact O-N 2.83Å; L302-L314 HydrophobicContact CD2-CD2 3.71Å
303N85.2Confident87.6Confident150 Ų15072 Ų7280%0.80245%0.446SS*.  trans-81.8112.7169.1-167.7-8.7000108.8
304I79.8Confident87.5Confident70 Ų7074 Ų7436%0.35946%0.456SS..  trans-99.1125-177.3-60.4176.3000108.9L280 L302 L308 L314L280-I304 HydrophobicContact CD2-CG2 4.32Å; L302-I304 HydrophobicContact CD2-CD1 4.15Å; L302-I304 HydrophobicContact CD2-CG1 3.76Å; L302-I304 HydrophobicContact CG-CG1 3.92Å; L302-I304 PolarHBondContact O-N 2.83Å; I304-L308 HydrophobicContact CG2-CB 3.99Å; I304-L308 HydrophobicContact CG2-CD2 4.06Å; I304-L308 HydrophobicContact CG2-CG 4.47Å; I304-L314 HydrophobicContact CD1-CD2 3.89Å
305S80.8Confident87.7Confident62 Ų6277.6 Ų77.643%0.43447%0.469SS..  trans-60.1141172.8176.50000111.2Q307 L308S305-Q307 PolarHBondContact O-N 2.89Å; S305-Q307 WeakPolarHBondContact OG-CB 3.35Å; S305-Q307 WeakPolarHBondContact OG-CG 3.37Å; S305-Q307 PolarHBondContact OG-N 3.19Å; S305-Q307 PolarHBondContact OG-OE1 2.99Å; S305-L308 PolarHBondContact O-N 3.28Å
306G81.5Confident88Confident68 Ų6876.7 Ų76.770%0.70148%0.476SS*.G310 helixtrans-57.6-15.417200000113.6L308 F309G306-L308 PolarHBondContact O-N 2.81Å; G306-L308 VanDerWaalsContact O-N 3.11Å; G306-F309 WeakPolarHBondContact O-CB 3.37Å; G306-F309 PolarHBondContact O-N 2.88Å; G306-F309 VanDerWaalsContact O-N 3.13Å
307Q75.5Confident88.4Confident113 Ų11374.6 Ų74.653%0.52847%0.465SS..G310 helixtrans-59.6-13.5170.1-68.9172.9-33.600113.9S305 F309 S310S305-Q307 PolarHBondContact O-N 2.89Å; S305-Q307 WeakPolarHBondContact OG-CB 3.35Å; S305-Q307 WeakPolarHBondContact OG-CG 3.37Å; S305-Q307 PolarHBondContact OG-N 3.19Å; S305-Q307 PolarHBondContact OG-OE1 2.99Å; Q307-F309 PolarHBondContact O-N 3.08Å; Q307-F309 VanDerWaalsContact O-N 3.11Å; Q307-S310 WeakPolarHBondContact O-CB 3.37Å; Q307-S310 PolarHBondContact O-N 3.06Å; Q307-S310 PolarHBondContact O-OG 3.04Å
308L87.9Confident88.9Confident65 Ų6573.7 Ų73.734%0.3446%0.458SS..G310 helixtrans-53.7-30.7170.1-171.971.4000111.9L280 I304 S305 G306 S310 G311 R312L280-L308 HydrophobicContact CD1-CD1 4.48Å; I304-L308 HydrophobicContact CG2-CB 3.99Å; I304-L308 HydrophobicContact CG2-CD2 4.06Å; I304-L308 HydrophobicContact CG2-CG 4.47Å; S305-L308 PolarHBondContact O-N 3.28Å; G306-L308 PolarHBondContact O-N 2.81Å; G306-L308 VanDerWaalsContact O-N 3.11Å; L308-S310 PolarHBondContact O-N 3.4Å; L308-S310 VanDerWaalsContact O-N 3.08Å; L308-G311 PolarHBondContact O-N 3.1Å; L308-R312 HydrophobicContact CD1-CB 3.96Å; L308-R312 VanDerWaalsContact CD1-O 3.31Å; L308-R312 WeakPolarHBondContact CD1-O 3.2Å
309F91.1Very high89.8Confident199 Ų19970.5 Ų70.587%0.87343%0.432SS*.G310 helixtrans-54.1-26.2176.1177.8-98.9000113.9G306 Q307 G311G306-F309 WeakPolarHBondContact O-CB 3.37Å; G306-F309 PolarHBondContact O-N 2.88Å; G306-F309 VanDerWaalsContact O-N 3.13Å; Q307-F309 PolarHBondContact O-N 3.08Å; Q307-F309 VanDerWaalsContact O-N 3.11Å; F309-G311 PolarHBondContact O-N 3.25Å
310S92.1Very high90.5Very high52 Ų5266.8 Ų66.836%0.36439%0.393SS..G310 helixtrans-70.1-15.2-176.365.70000114.5E285 Q307 L308E285-S310 CarbonylContact O-C 3.37Å; E285-S310 WeakPolarHBondContact O-CB 3.36Å; E285-S310 PolarHBondContact O-OG 2.73Å; Q307-S310 WeakPolarHBondContact O-CB 3.37Å; Q307-S310 PolarHBondContact O-N 3.06Å; Q307-S310 PolarHBondContact O-OG 3.04Å; L308-S310 PolarHBondContact O-N 3.4Å; L308-S310 VanDerWaalsContact O-N 3.08Å
311G94.4Very high91.1Very high32 Ų3266.4 Ų66.433%0.3339%0.389SS..SBendtrans130.6-2.4174.800000116.1E285 S286 L308 F309E285-G311 PolarHBondContact O-N 2.99Å; S286-G311 CarbonylContact O-C 3.34Å; S286-G311 WeakPolarHBondContact O-CA 3.48Å; L308-G311 PolarHBondContact O-N 3.1Å; F309-G311 PolarHBondContact O-N 3.25Å
312R95.8Very high91.5Very high18 Ų1859.4 Ų59.47%0.06836%0.355CS..  trans-58.9147.1172.5-73.1179.2-178.499.5-13.8111.7L280 A281 C283 N284 E285 G288 L308L280-R312 HydrophobicContact CD1-CB 4.33Å; L280-R312 WeakPolarHBondContact O-CD 3.28Å; L280-R312 PolarHBondContact O-NE 3.23Å; A281-R312 PolarHBondContact O-NH2 2.72Å; A281-R312 VanDerWaalsContact O-NH2 3.14Å; C283-R312 HydrophobicContact CB-CG 4.21Å; C283-R312 PolarHBondContact O-NE 2.87Å; C283-R312 PolarHBondContact O-NH2 2.88Å; N284-R312 WeakPolarHBondContact O-CG 3.47Å; E285-R312 PolarHBondContact O-N 3.34Å; E285-R312 IonicContact OE1-CZ 2.92Å; E285-R312 IonicContact OE1-NH1 2.71Å; E285-R312 PolarHBondContact OE1-NH1 2.97Å; E285-R312 VanDerWaalsContact OE1-NH1 3.09Å; E285-R312 IonicContact OE1-NH2 3.66Å; E285-R312 PolarHBondContact OE1-NH2 3.27Å; G288-R312 CarbonylContact O-C 3.58Å; G288-R312 WeakPolarHBondContact O-CA 3.43Å; L308-R312 HydrophobicContact CD1-CB 3.96Å; L308-R312 VanDerWaalsContact CD1-O 3.31Å; L308-R312 WeakPolarHBondContact CD1-O 3.2Å
313S96.2Very high92Very high49 Ų4958.3 Ų58.334%0.34335%0.348SS..EExtended strand (participates in β ladder)trans-114.6134.2172.9-69.40000111.5G288 V289 C290G288-S313 PolarHBondContact O-N 3.07Å; V289-S313 WeakPolarHBondContact CA-O 3.4Å; C290-S313 PolarHBondContact N-O 2.84Å
314L96.1Very high92.5Very high58 Ų5851.2 Ų51.230%0.30431%0.311SS..EExtended strand (participates in β ladder)trans-112.8122.7170-179.864.3000109.7L276 L280 C290 V292 L302 I304L276-L314 HydrophobicContact CD1-CD1 4.08Å; L280-L314 HydrophobicContact CD1-CB 4.38Å; L280-L314 HydrophobicContact CD2-CD2 4.43Å; C290-L314 HydrophobicContact CB-CD1 4.07Å; C290-L314 WeakPolarHBondContact O-CA 3.49Å; V292-L314 HydrophobicContact CG2-CD1 3.83Å; L302-L314 HydrophobicContact CD2-CD2 3.71Å; I304-L314 HydrophobicContact CD1-CD2 3.89Å
315K96.2Very high93.3Very high86 Ų8650.8 Ų50.837%0.37431%0.305SS..EExtended strand (participates in β ladder)trans-129.2151-177.8-60.5-179-176.6175.40110.9T187 V289 C290 V291 V292T187-K315 HydrophobicContact CG2-CB 4.35Å; V289-K315 HydrophobicContact CG1-CD 4.11Å; C290-K315 PolarHBondContact O-N 3.26Å; V291-K315 CarbonylContact C-O 3.58Å; V291-K315 WeakPolarHBondContact CA-O 3.31Å; V292-K315 PolarHBondContact N-O 3.43Å
316G97Very high94.1Very high59 Ų5952 Ų5261%0.60830%0.304SS*.EExtended strand (participates in β ladder)trans-100.2149.5167.100000111.3
317S97.4Very high94.9Very high9 Ų950.9 Ų50.96%0.06328%0.28CS..  trans-128.5112.8172-164.70000110.8T187 V292 G320T187-S317 WeakPolarHBondContact OG1-CB 3.31Å; T187-S317 PolarHBondContact OG1-OG 3.26Å; V292-S317 PolarHBondContact O-N 2.94Å; S317-G320 WeakPolarHBondContact OG-CA 3.47Å
318V95.6Very high95.9Very high58 Ų5845.5 Ų45.535%0.35226%0.255SS..SBendtrans-99.3128168.91800000108.1F95 L96 N111 F112 G320 G321F95-V318 HydrophobicContact CE2-CG1 4.16Å; F95-V318 HydrophobicContact CZ-CG1 4.4Å; L96-V318 HydrophobicContact CD1-CG1 4.18Å; L96-V318 HydrophobicContact CD2-CG1 4.26Å; N111-V318 PolarHBondContact ND2-O 2.98Å; F112-V318 HydrophobicContact CD2-CB 4.11Å; F112-V318 HydrophobicContact CD2-CG1 3.97Å; F112-V318 HydrophobicContact CD2-CG2 4.06Å; F112-V318 HydrophobicContact CE2-CB 4.49Å; F112-V318 HydrophobicContact CE2-CG1 4.08Å; F112-V318 HydrophobicContact CE2-CG2 4.17Å; V318-G320 PolarHBondContact O-N 3Å; V318-G320 VanDerWaalsContact O-N 3.07Å; V318-G321 PolarHBondContact O-N 2.87Å; V318-G321 VanDerWaalsContact O-N 3.12Å
319F97.6Very high96.4Very high2 Ų244.2 Ų44.21%0.00925%0.25CS..G310 helixtrans49.536.6179.6-160.2-137.8000112.7L94 F95 L96 S174 G321 W322 I328L94-F319 HydrophobicContact CD2-CE1 4.32Å; L94-F319 HydrophobicContact CD2-CZ 4.37Å; F95-F319 HydrophobicContact CE1-CB 4.21Å; F95-F319 AromaticContact CE1-CD2 3.54Å; F95-F319 HydrophobicContact CE1-CD2 3.54Å; F95-F319 HydrophobicContact CE1-CE2 4.05Å; F95-F319 AromaticContact CE1-CG 3.95Å; F95-F319 HydrophobicContact CE1-CG 3.95Å; F95-F319 HydrophobicContact CZ-CB 3.8Å; F95-F319 AromaticContact CZ-CD2 4Å; F95-F319 HydrophobicContact CZ-CD2 4Å; F95-F319 HydrophobicContact CZ-CG 4.07Å; L96-F319 HydrophobicContact CB-CD1 4.39Å; L96-F319 HydrophobicContact CD2-CB 3.95Å; L96-F319 HydrophobicContact CD2-CD1 4.35Å; S174-F319 WeakPolarHBondContact O-CE2 3.37Å; F319-G321 PolarHBondContact O-N 2.91Å; F319-G321 VanDerWaalsContact O-N 3.15Å; F319-W322 HydrophobicContact CD1-CB 4.29Å; F319-W322 PolarHBondContact O-N 2.76Å; F319-W322 VanDerWaalsContact O-N 3.13Å; F319-I328 HydrophobicContact CE1-CD1 3.48Å; F319-I328 VanDerWaalsContact CE1-CD1 3.48Å; F319-I328 HydrophobicContact CE1-CG1 3.5Å; F319-I328 HydrophobicContact CE2-CD1 4.19Å; F319-I328 HydrophobicContact CZ-CD1 3.28Å; F319-I328 HydrophobicContact CZ-CG1 3.61Å
320G97.9Very high96.7Very high0 Ų039.9 Ų39.90%023%0.231CC..G310 helixtrans64.820.1175.300000114.9T179 G182 N186 S317 V318 W322T179-G320 WeakPolarHBondContact O-CA 3.29Å; G182-G320 CarbonylContact C-O 3.55Å; G182-G320 VanDerWaalsContact CA-O 3.27Å; G182-G320 WeakPolarHBondContact CA-O 3.28Å; N186-G320 WeakPolarHBondContact CB-O 3.4Å; N186-G320 PolarHBondContact ND2-O 3.47Å; S317-G320 WeakPolarHBondContact OG-CA 3.47Å; V318-G320 PolarHBondContact O-N 3Å; V318-G320 VanDerWaalsContact O-N 3.07Å; G320-W322 PolarHBondContact O-N 3.14Å
321G97.6Very high97Very high27 Ų2737.7 Ų37.728%0.27822%0.215SC..G310 helixtrans72.98.3-175.800000114.3N111 V318 F319N111-G321 VanDerWaalsContact ND2-C 3.29Å; N111-G321 WeakPolarHBondContact ND2-CA 3.31Å; V318-G321 PolarHBondContact O-N 2.87Å; V318-G321 VanDerWaalsContact O-N 3.12Å; F319-G321 PolarHBondContact O-N 2.91Å; F319-G321 VanDerWaalsContact O-N 3.15Å
322W97.9Very high97.2Very high27 Ų2736.2 Ų36.210%0.10220%0.2CC..  trans-75.2127.9-179.9-59.8115.5000111.7N111 S178 F181 I185 N186 F319 G320 S324 H327 I328 L331N111-W322 VanDerWaalsContact CB-O 3.29Å; N111-W322 WeakPolarHBondContact CB-O 3.37Å; N111-W322 PolarHBondContact ND2-N 3Å; N111-W322 PolarHBondContact ND2-O 3.36Å; N111-W322 VanDerWaalsContact ND2-O 3.1Å; S178-W322 PolarHBondContact O-NE1 2.99Å; F181-W322 HydrophobicContact CD1-CZ2 4.3Å; I185-W322 HydrophobicContact CD1-CH2 3.58Å; I185-W322 HydrophobicContact CD1-CZ2 3.69Å; I185-W322 HydrophobicContact CG1-CH2 4.35Å; I185-W322 HydrophobicContact CG1-CZ2 4.16Å; N186-W322 VanDerWaalsContact ND2-CE3 3.27Å; N186-W322 WeakPolarHBondContact ND2-CH2 3.41Å; N186-W322 WeakPolarHBondContact ND2-CZ2 3.42Å; N186-W322 VanDerWaalsContact ND2-CZ3 3.29Å; N186-W322 WeakPolarHBondContact ND2-CZ3 3.28Å; F319-W322 HydrophobicContact CD1-CB 4.29Å; F319-W322 PolarHBondContact O-N 2.76Å; F319-W322 VanDerWaalsContact O-N 3.13Å; G320-W322 PolarHBondContact O-N 3.14Å; W322-S324 PolarHBondContact O-N 3.4Å; W322-S324 VanDerWaalsContact O-N 3.15Å; W322-H327 HydrophobicContact CB-CB 4.19Å; W322-H327 HydrophobicContact CD2-CB 4.24Å; W322-H327 HydrophobicContact CE3-CB 3.55Å; W322-H327 AromaticContact CE3-CG 3.75Å; W322-H327 AromaticContact CE3-ND1 3.57Å; W322-H327 HydrophobicContact CZ3-CB 4.29Å; W322-I328 HydrophobicContact CB-CD1 4.5Å; W322-L331 HydrophobicContact CD2-CD1 4Å; W322-L331 HydrophobicContact CE3-CD1 3.99Å; W322-L331 HydrophobicContact CH2-CD1 3.93Å; W322-L331 HydrophobicContact CZ2-CD1 3.94Å; W322-L331 HydrophobicContact CZ2-CD2 4Å; W322-L331 HydrophobicContact CZ2-CG 4.37Å; W322-L331 HydrophobicContact CZ3-CD1 3.96Å
323K97.8Very high97.3Very high20 Ų2037.6 Ų37.69%0.08722%0.215CC..  trans-63.4106.7156.5-69.5-178.2-174-70.90108.2Q98 C105 N107 G110 E326 H327Q98-K323 PolarHBondContact OE1-O 3.04Å; C105-K323 PolarHBondContact O-NZ 2.96Å; N107-K323 PolarHBondContact O-NZ 2.74Å; G110-K323 PolarHBondContact O-NZ 2.94Å; K323-E326 HydrophobicContact CB-CB 4.1Å; K323-E326 WeakPolarHBondContact CD-OE2 3.48Å; K323-E326 PolarHBondContact O-N 3.29Å; K323-H327 PolarHBondContact N-ND1 2.76Å; K323-H327 VanDerWaalsContact N-ND1 3.19Å; K323-H327 WeakPolarHBondContact O-CB 3.49Å; K323-H327 PolarHBondContact O-N 2.86Å
324S96.7Very high97.4Very high1 Ų137.8 Ų37.81%0.00721%0.212CC..Hα-helixtrans-61-54.2-158.955.30000114.2L96 Q98 W322 E326 I328L96-S324 WeakPolarHBondContact O-CB 3.39Å; L96-S324 PolarHBondContact O-OG 3.23Å; Q98-S324 WeakPolarHBondContact CB-OG 3.49Å; Q98-S324 VanDerWaalsContact OE1-N 3.12Å; W322-S324 PolarHBondContact O-N 3.4Å; W322-S324 VanDerWaalsContact O-N 3.15Å; S324-E326 VanDerWaalsContact C-N 3.29Å; S324-E326 PolarHBondContact O-N 2.85Å; S324-I328 WeakPolarHBondContact O-CB 3.29Å; S324-I328 WeakPolarHBondContact O-CG1 3.33Å; S324-I328 PolarHBondContact O-N 3.17Å; S324-I328 VanDerWaalsContact O-N 3.13Å
325R97.1Very high97.5Very high62 Ų6236.6 Ų36.623%0.23420%0.204CC..Hα-helixtrans-69.3-28-179.4-64.4-179.879.1-160-1.2113.3T84 L94 Q98 I156 V158 P329T84-R325 PolarHBondContact OG1-NH2 2.81Å; L94-R325 HydrophobicContact CD1-CB 4.3Å; L94-R325 HydrophobicContact CD1-CG 3.41Å; L94-R325 VanDerWaalsContact CD1-CG 3.41Å; Q98-R325 HydrophobicContact CB-CB 4.12Å; Q98-R325 HydrophobicContact CB-CG 3.91Å; Q98-R325 WeakPolarHBondContact O-CD 3Å; I156-R325 WeakPolarHBondContact O-CD 3.22Å; V158-R325 PolarHBondContact O-NE 2.95Å; V158-R325 VanDerWaalsContact O-NE 3.1Å; R325-P329 WeakPolarHBondContact O-CD 3.5Å; R325-P329 WeakPolarHBondContact O-CG 3.45Å
326E96.5Very high97.5Very high88 Ų8835.6 Ų35.641%0.41120%0.202SC..Hα-helixtrans-82.1-43.6-178.1-174.4-178.3163.900113Q98 K323 S324 K330Q98-E326 VanDerWaalsContact OE1-N 3.11Å; K323-E326 HydrophobicContact CB-CB 4.1Å; K323-E326 WeakPolarHBondContact CD-OE2 3.48Å; K323-E326 PolarHBondContact O-N 3.29Å; S324-E326 VanDerWaalsContact C-N 3.29Å; S324-E326 PolarHBondContact O-N 2.85Å; E326-K330 WeakPolarHBondContact O-CE 3.21Å; E326-K330 IonicContact OE1-NZ 2.76Å
327H97.7Very high97.6Very high43 Ų4335.5 Ų35.520%0.19920%0.195CC..Hα-helixtrans-96.2-33-170.3-61.8156000113.3W322 K323 K330 L331W322-H327 HydrophobicContact CB-CB 4.19Å; W322-H327 HydrophobicContact CD2-CB 4.24Å; W322-H327 HydrophobicContact CE3-CB 3.55Å; W322-H327 AromaticContact CE3-CG 3.75Å; W322-H327 AromaticContact CE3-ND1 3.57Å; W322-H327 HydrophobicContact CZ3-CB 4.29Å; K323-H327 PolarHBondContact N-ND1 2.76Å; K323-H327 VanDerWaalsContact N-ND1 3.19Å; K323-H327 WeakPolarHBondContact O-CB 3.49Å; K323-H327 PolarHBondContact O-N 2.86Å; H327-K330 WeakPolarHBondContact O-CA 3.47Å; H327-K330 VanDerWaalsContact O-CB 3.3Å; H327-K330 WeakPolarHBondContact O-CB 3.44Å; H327-K330 PolarHBondContact O-N 2.99Å; H327-L331 HydrophobicContact CB-CD1 4.32Å; H327-L331 WeakPolarHBondContact O-CD1 3.46Å; H327-L331 PolarHBondContact O-N 3.26Å
328I97.8Very high97.5Very high0 Ų043.7 Ų43.70%023%0.232CC..Hα-helixtrans-61.4-40.9-175.8-64.3-58.6000113.7I92 L94 I173 F319 W322 S324 K330 L331 V332I92-I328 HydrophobicContact CB-CG2 4.46Å; I92-I328 HydrophobicContact CD1-CG2 4.22Å; I92-I328 HydrophobicContact CG2-CG2 4.06Å; L94-I328 HydrophobicContact CD2-CB 4.31Å; L94-I328 HydrophobicContact CD2-CG1 4.04Å; L94-I328 HydrophobicContact CD2-CG2 4.28Å; I173-I328 HydrophobicContact CG2-CD1 4.07Å; I173-I328 HydrophobicContact CG2-CG2 3.87Å; F319-I328 HydrophobicContact CE1-CD1 3.48Å; F319-I328 VanDerWaalsContact CE1-CD1 3.48Å; F319-I328 HydrophobicContact CE1-CG1 3.5Å; F319-I328 HydrophobicContact CE2-CD1 4.19Å; F319-I328 HydrophobicContact CZ-CD1 3.28Å; F319-I328 HydrophobicContact CZ-CG1 3.61Å; W322-I328 HydrophobicContact CB-CD1 4.5Å; S324-I328 WeakPolarHBondContact O-CB 3.29Å; S324-I328 WeakPolarHBondContact O-CG1 3.33Å; S324-I328 PolarHBondContact O-N 3.17Å; S324-I328 VanDerWaalsContact O-N 3.13Å; I328-K330 PolarHBondContact O-N 2.91Å; I328-L331 PolarHBondContact O-N 3.27Å; I328-V332 PolarHBondContact O-N 3.18Å
329P98.4Very high97.6Very high38 Ų3847.9 Ų47.925%0.24725%0.246CC..Hα-helixtrans-58-34.2171.9-2636.2000113.4A159 K160 R325 V332 A333A159-P329 HydrophobicContact CB-CG 4.02Å; K160-P329 WeakPolarHBondContact O-CB 3.48Å; K160-P329 VanDerWaalsContact O-CG 3.29Å; K160-P329 WeakPolarHBondContact O-CG 3.38Å; R325-P329 WeakPolarHBondContact O-CD 3.5Å; R325-P329 WeakPolarHBondContact O-CG 3.45Å; P329-V332 PolarHBondContact O-N 3.39Å; P329-A333 PolarHBondContact O-N 3.44Å
330K98.1Very high97.4Very high109 Ų10948.9 Ų48.947%0.47425%0.251SS..Hα-helixtrans-69.8-41.2177.3-55.3175.9-174.1171.60111.2E326 H327 I328 V332 A333 D334E326-K330 WeakPolarHBondContact O-CE 3.21Å; E326-K330 IonicContact OE1-NZ 2.76Å; H327-K330 WeakPolarHBondContact O-CA 3.47Å; H327-K330 VanDerWaalsContact O-CB 3.3Å; H327-K330 WeakPolarHBondContact O-CB 3.44Å; H327-K330 PolarHBondContact O-N 2.99Å; I328-K330 PolarHBondContact O-N 2.91Å; K330-V332 VanDerWaalsContact C-N 3.3Å; K330-V332 PolarHBondContact O-N 3.49Å; K330-A333 CarbonylContact O-C 3.56Å; K330-A333 WeakPolarHBondContact O-CB 3.39Å; K330-A333 PolarHBondContact O-N 3.31Å; K330-A333 VanDerWaalsContact O-N 3.12Å; K330-D334 PolarHBondContact O-N 3.47Å
331L97.9Very high97.3Very high6 Ų652.9 Ų52.93%0.03127%0.272CS..Hα-helixtrans-62-38.1173.7-84.879.8000111.9I173 F177 S178 W322 H327 I328 D334 Y335I173-L331 HydrophobicContact CG2-CB 3.84Å; I173-L331 HydrophobicContact CG2-CD2 4.29Å; F177-L331 HydrophobicContact CE1-CD2 4.21Å; S178-L331 WeakPolarHBondContact OG-CD2 3.44Å; W322-L331 HydrophobicContact CD2-CD1 4Å; W322-L331 HydrophobicContact CE3-CD1 3.99Å; W322-L331 HydrophobicContact CH2-CD1 3.93Å; W322-L331 HydrophobicContact CZ2-CD1 3.94Å; W322-L331 HydrophobicContact CZ2-CD2 4Å; W322-L331 HydrophobicContact CZ2-CG 4.37Å; W322-L331 HydrophobicContact CZ3-CD1 3.96Å; H327-L331 HydrophobicContact CB-CD1 4.32Å; H327-L331 WeakPolarHBondContact O-CD1 3.46Å; H327-L331 PolarHBondContact O-N 3.26Å; I328-L331 PolarHBondContact O-N 3.27Å; L331-D334 PolarHBondContact O-N 3.46Å; L331-Y335 PolarHBondContact O-N 3.05Å
332V98.3Very high97.3Very high0 Ų051.6 Ų51.60%026%0.259CS..Hα-helixtrans-63.2-45.1172.6176.30000110.5I92 I161 D162 A165 V170 I173 I328 P329 K330 D334 Y335 M336I92-V332 HydrophobicContact CD1-CG2 3.61Å; I161-V332 HydrophobicContact CB-CB 4.41Å; I161-V332 HydrophobicContact CB-CG1 4.16Å; I161-V332 HydrophobicContact CB-CG2 4.26Å; I161-V332 HydrophobicContact CD1-CG1 4.43Å; I161-V332 HydrophobicContact CG2-CB 4.36Å; I161-V332 HydrophobicContact CG2-CG2 3.82Å; D162-V332 HydrophobicContact CB-CG1 4.47Å; A165-V332 HydrophobicContact CB-CG1 3.9Å; V170-V332 HydrophobicContact CB-CG2 4.33Å; V170-V332 HydrophobicContact CG1-CG1 4.14Å; I173-V332 HydrophobicContact CD1-CB 4.42Å; I173-V332 HydrophobicContact CD1-CG2 3.8Å; I173-V332 HydrophobicContact CG2-CG2 4.34Å; I328-V332 PolarHBondContact O-N 3.18Å; P329-V332 PolarHBondContact O-N 3.39Å; K330-V332 VanDerWaalsContact C-N 3.3Å; K330-V332 PolarHBondContact O-N 3.49Å; V332-D334 VanDerWaalsContact C-N 3.31Å; V332-D334 PolarHBondContact O-N 3.38Å; V332-Y335 WeakPolarHBondContact O-CB 3.45Å; V332-Y335 PolarHBondContact O-N 3.33Å; V332-M336 HydrophobicContact CG1-CG 4.34Å; V332-M336 WeakPolarHBondContact O-CG 3.45Å; V332-M336 PolarHBondContact O-N 2.93Å
333A97.9Very high97.2Very high48 Ų4853.7 Ų53.740%0.39727%0.272SS..Hα-helixtrans-60.7-38.9176.500000112.4P329 K330 M336 A337P329-A333 PolarHBondContact O-N 3.44Å; K330-A333 CarbonylContact O-C 3.56Å; K330-A333 WeakPolarHBondContact O-CB 3.39Å; K330-A333 PolarHBondContact O-N 3.31Å; K330-A333 VanDerWaalsContact O-N 3.12Å; A333-M336 PolarHBondContact O-N 2.85Å; A333-A337 WeakPolarHBondContact O-CB 3.23Å; A333-A337 PolarHBondContact O-N 3.47Å
334D97.9Very high97.2Very high53 Ų5354 Ų5428%0.28328%0.277SS..Hα-helixtrans-66-35.7175.4-74.6-31.8000112.5K330 L331 V332 A337 E338 K339 L340K330-D334 PolarHBondContact O-N 3.47Å; L331-D334 PolarHBondContact O-N 3.46Å; V332-D334 VanDerWaalsContact C-N 3.31Å; V332-D334 PolarHBondContact O-N 3.38Å; D334-A337 CarbonylContact O-C 3.56Å; D334-A337 PolarHBondContact O-N 3Å; D334-E338 PolarHBondContact O-N 3.35Å; D334-K339 HydrophobicContact CB-CB 4.34Å; D334-K339 HydrophobicContact CB-CD 4.29Å; D334-K339 WeakPolarHBondContact O-CB 3.48Å; D334-K339 PolarHBondContact O-N 3.38Å; D334-K339 WeakPolarHBondContact OD1-CD 3.38Å; D334-K339 IonicContact OD1-NZ 3.59Å; D334-K339 PolarHBondContact OD1-NZ 3.37Å; D334-L340 HydrophobicContact CB-CD1 3.77Å; D334-L340 HydrophobicContact CB-CG 4.1Å
335Y97.9Very high97.2Very high33 Ų3354.1 Ų54.113%0.12928%0.277CS..Hα-helixtrans-64.5-45.4169.7169.4-100000111.7P166 K169 V170 L331 V332 A337 E338 L340 L342P166-Y335 HydrophobicContact CG-CE1 3.67Å; K169-Y335 HydrophobicContact CB-CE1 4.36Å; V170-Y335 HydrophobicContact CG1-CD1 3.55Å; V170-Y335 HydrophobicContact CG1-CE1 3.76Å; V170-Y335 HydrophobicContact CG1-CG 4.42Å; L331-Y335 PolarHBondContact O-N 3.05Å; V332-Y335 WeakPolarHBondContact O-CB 3.45Å; V332-Y335 PolarHBondContact O-N 3.33Å; Y335-A337 PolarHBondContact O-N 3.3Å; Y335-E338 PolarHBondContact O-N 3.36Å; Y335-L340 WeakPolarHBondContact CD2-O 3.33Å; Y335-L342 HydrophobicContact CD2-CB 4.34Å; Y335-L342 HydrophobicContact CD2-CD1 3.76Å; Y335-L342 HydrophobicContact CD2-CG 3.65Å; Y335-L342 HydrophobicContact CE2-CB 4.08Å; Y335-L342 HydrophobicContact CE2-CD1 3.99Å; Y335-L342 HydrophobicContact CE2-CG 3.88Å; Y335-L342 HydrophobicContact CG-CD1 4.08Å; Y335-L342 HydrophobicContact CG-CG 4.4Å
336M97.7Very high97.2Very high65 Ų6552.4 Ų52.432%0.3227%0.272SS..Hα-helixtrans-63.1-28.2177.1-65-50.2-58.100112.8D162 V164 A165 V332 A333 E338D162-M336 HydrophobicContact CB-CG 4.36Å; V164-M336 HydrophobicContact CG2-CE 3.95Å; A165-M336 HydrophobicContact CB-SD 3.98Å; V332-M336 HydrophobicContact CG1-CG 4.34Å; V332-M336 WeakPolarHBondContact O-CG 3.45Å; V332-M336 PolarHBondContact O-N 2.93Å; A333-M336 PolarHBondContact O-N 2.85Å; M336-E338 VanDerWaalsContact C-N 3.26Å; M336-E338 PolarHBondContact O-N 2.83Å
337A97.8Very high97.3Very high57 Ų5750.7 Ų50.747%0.47127%0.268SS..THydrogen-bonded Turntrans-87.213.9174.300000113.4A333 D334 Y335 K339A333-A337 WeakPolarHBondContact O-CB 3.23Å; A333-A337 PolarHBondContact O-N 3.47Å; D334-A337 CarbonylContact O-C 3.56Å; D334-A337 PolarHBondContact O-N 3Å; Y335-A337 PolarHBondContact O-N 3.3Å; A337-K339 HydrophobicContact CB-CG 4.3Å; A337-K339 PolarHBondContact O-N 2.91Å
338E96.5Very high97.3Very high181 Ų18150.7 Ų50.785%0.84627%0.268SS*.THydrogen-bonded Turntrans59.216178.2-56.1-176.8169.500115.1D334 Y335 M336 L340D334-E338 PolarHBondContact O-N 3.35Å; Y335-E338 PolarHBondContact O-N 3.36Å; M336-E338 VanDerWaalsContact C-N 3.26Å; M336-E338 PolarHBondContact O-N 2.83Å; E338-L340 VanDerWaalsContact C-N 3.26Å; E338-L340 PolarHBondContact O-N 2.61Å
339K95.9Very high97.3Very high146 Ų14653.9 Ų53.964%0.63529%0.287SS*.SBendtrans-75-21.1175.2-56.9-177.8-165.7160.70112.2D334 A337D334-K339 HydrophobicContact CB-CB 4.34Å; D334-K339 HydrophobicContact CB-CD 4.29Å; D334-K339 WeakPolarHBondContact O-CB 3.48Å; D334-K339 PolarHBondContact O-N 3.38Å; D334-K339 WeakPolarHBondContact OD1-CD 3.38Å; D334-K339 IonicContact OD1-NZ 3.59Å; D334-K339 PolarHBondContact OD1-NZ 3.37Å; A337-K339 HydrophobicContact CB-CG 4.3Å; A337-K339 PolarHBondContact O-N 2.91Å
340L95Very high97.3Very high23 Ų2356.4 Ų56.412%0.1229%0.292CS..SBendtrans-127.7140.5-178.5-54.5174.4000108.8F177 F181 D334 Y335 E338F177-L340 HydrophobicContact CE1-CD1 3.85Å; F177-L340 HydrophobicContact CZ-CB 4.28Å; F177-L340 HydrophobicContact CZ-CD1 3.91Å; F177-L340 HydrophobicContact CZ-CD2 4.07Å; F177-L340 HydrophobicContact CZ-CG 4.32Å; F181-L340 HydrophobicContact CE1-CD2 4.24Å; F181-L340 HydrophobicContact CE2-CD2 4.12Å; F181-L340 HydrophobicContact CZ-CD2 3.77Å; D334-L340 HydrophobicContact CB-CD1 3.77Å; D334-L340 HydrophobicContact CB-CG 4.1Å; Y335-L340 WeakPolarHBondContact CD2-O 3.33Å; E338-L340 VanDerWaalsContact C-N 3.26Å; E338-L340 PolarHBondContact O-N 2.61Å
341N94.8Very high97.3Very high83 Ų8353.6 Ų53.644%0.44429%0.286SS..  trans-121.2109.5175.2-174.30.4000110.9M210 D343 P344M210-N341 WeakPolarHBondContact CE-O 3.38Å; N341-D343 WeakPolarHBondContact OD1-CB 3.33Å; N341-D343 PolarHBondContact OD1-N 2.9Å; N341-P344 VanDerWaalsContact OD1-CD 3.3Å; N341-P344 WeakPolarHBondContact OD1-CD 3.43Å
342L97.1Very high97.3Very high0 Ų053.5 Ų53.50%029%0.286CS..  trans-86.8-21.3-179.5-58.4178.1000113.2K169 L172 I173 F177 Y335 P344 L345K169-L342 WeakPolarHBondContact O-CD1 3.33Å; L172-L342 HydrophobicContact CD1-CB 4.39Å; I173-L342 HydrophobicContact CD1-CD1 3.9Å; I173-L342 HydrophobicContact CG1-CD1 3.82Å; I173-L342 HydrophobicContact CG1-CD2 4.39Å; F177-L342 HydrophobicContact CB-CD2 3.94Å; F177-L342 HydrophobicContact CD1-CD2 3.69Å; F177-L342 HydrophobicContact CD2-CD2 3.39Å; F177-L342 HydrophobicContact CE1-CD2 4.03Å; F177-L342 HydrophobicContact CE2-CD2 3.76Å; F177-L342 HydrophobicContact CG-CD2 3.34Å; F177-L342 HydrophobicContact CZ-CD2 4.06Å; Y335-L342 HydrophobicContact CD2-CB 4.34Å; Y335-L342 HydrophobicContact CD2-CD1 3.76Å; Y335-L342 HydrophobicContact CD2-CG 3.65Å; Y335-L342 HydrophobicContact CE2-CB 4.08Å; Y335-L342 HydrophobicContact CE2-CD1 3.99Å; Y335-L342 HydrophobicContact CE2-CG 3.88Å; Y335-L342 HydrophobicContact CG-CD1 4.08Å; Y335-L342 HydrophobicContact CG-CG 4.4Å; L342-P344 VanDerWaalsContact C-CD 3.43Å; L342-L345 WeakPolarHBondContact O-CB 3.48Å; L342-L345 PolarHBondContact O-N 3.25Å
343D96.7Very high97.3Very high71 Ų7157 Ų5738%0.3831%0.305SS..G310 helixtrans-56.2-40.3-170.9-72-25.6000114.1K169 N341 L345 I346K169-D343 WeakPolarHBondContact CD-OD1 3.42Å; K169-D343 VanDerWaalsContact CE-OD1 3.32Å; K169-D343 WeakPolarHBondContact CE-OD1 3.44Å; K169-D343 IonicContact NZ-OD1 3.1Å; K169-D343 PolarHBondContact NZ-OD1 3.12Å; N341-D343 WeakPolarHBondContact OD1-CB 3.33Å; N341-D343 PolarHBondContact OD1-N 2.9Å; D343-L345 PolarHBondContact O-N 3.26Å; D343-I346 PolarHBondContact O-N 2.93Å
344P96.6Very high97.4Very high28 Ų2859 Ų5918%0.18230%0.304CS..G310 helixtrans-61.5-19.9179.4-26.536.2000114.7K232 L236 N341 L342K232-P344 HydrophobicContact CD-CB 4.25Å; L236-P344 HydrophobicContact CD1-CB 4.25Å; L236-P344 HydrophobicContact CD2-CB 3.5Å; L236-P344 VanDerWaalsContact CD2-CB 3.5Å; L236-P344 HydrophobicContact CD2-CG 3.79Å; L236-P344 HydrophobicContact CG-CB 4.24Å; N341-P344 VanDerWaalsContact OD1-CD 3.3Å; N341-P344 WeakPolarHBondContact OD1-CD 3.43Å; L342-P344 VanDerWaalsContact C-CD 3.43Å
345L97.8Very high97.4Very high2 Ų256.5 Ų56.51%0.0129%0.291CS..G310 helixtrans-80.5-25177.9-58.9175.3000111.8L172 F177 L206 S207 M210 L236 L342 D343 T347 I368 R369L172-L345 HydrophobicContact CD1-CB 3.91Å; L172-L345 HydrophobicContact CD1-CD1 4.4Å; F177-L345 HydrophobicContact CB-CD1 4.39Å; F177-L345 HydrophobicContact CD2-CD1 3.92Å; L206-L345 HydrophobicContact CB-CD2 3.67Å; L206-L345 HydrophobicContact CD1-CD2 4.3Å; S207-L345 WeakPolarHBondContact OG-CD1 3.38Å; M210-L345 HydrophobicContact SD-CD1 4.24Å; M210-L345 HydrophobicContact SD-CD2 4.24Å; M210-L345 HydrophobicContact SD-CG 4.34Å; L236-L345 HydrophobicContact CD1-CD2 4.09Å; L342-L345 WeakPolarHBondContact O-CB 3.48Å; L342-L345 PolarHBondContact O-N 3.25Å; D343-L345 PolarHBondContact O-N 3.26Å; L345-T347 PolarHBondContact O-N 2.82Å; L345-I368 WeakPolarHBondContact O-CG2 3.46Å; L345-R369 VanDerWaalsContact O-CB 3.27Å; L345-R369 WeakPolarHBondContact O-CB 3.46Å; L345-R369 PolarHBondContact O-N 3.26Å
346I98Very high97.4Very high26 Ų2657.4 Ų57.413%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-86.5105-178-56.6173.2000108.7K169 L172 D343 I371K169-I346 HydrophobicContact CD-CD1 3.33Å; L172-I346 HydrophobicContact CD1-CD1 4.13Å; L172-I346 HydrophobicContact CD1-CG1 3.6Å; L172-I346 HydrophobicContact CG-CG1 4.45Å; D343-I346 PolarHBondContact O-N 2.93Å; I346-I371 HydrophobicContact CD1-CG1 4.13Å; I346-I371 HydrophobicContact CG1-CD1 4.32Å; I346-I371 HydrophobicContact CG1-CG1 4.07Å; I346-I371 HydrophobicContact CG2-CG1 3.77Å
347T97.4Very high97.4Very high53 Ų5358.7 Ų58.733%0.32530%0.303SS..EExtended strand (participates in β ladder)trans-99.9-22177.360.30000113.1L345 I368 R369L345-T347 PolarHBondContact O-N 2.82Å; T347-I368 HydrophobicContact CG2-CB 3.89Å; T347-I368 HydrophobicContact CG2-CD1 3.78Å; T347-I368 HydrophobicContact CG2-CG1 3.99Å; T347-I368 PolarHBondContact OG1-N 3.08Å; T347-I368 VanDerWaalsContact OG1-N 3.15Å; T347-R369 PolarHBondContact N-O 3.04Å; T347-R369 VanDerWaalsContact N-O 3.07Å
348H98.1Very high97.4Very high42 Ų4256 Ų5619%0.19428%0.281CS..EExtended strand (participates in β ladder)trans-141.3145.6-179-63.879.5000111.1K366 R369 C370 I371H348-K366 PolarHBondContact CE1-O 2.82Å; H348-K366 VanDerWaalsContact CE1-O 3.27Å; H348-R369 PolarHBondContact N-O 2.78Å; H348-C370 HydrophobicContact CB-CB 4.16Å; H348-C370 CarbonylContact O-C 3.58Å; H348-C370 VanDerWaalsContact O-CA 3.29Å; H348-C370 WeakPolarHBondContact O-CA 3.45Å; H348-I371 PolarHBondContact O-N 3.05Å
349T98.3Very high97.4Very high67 Ų6747.6 Ų47.641%0.41124%0.242SC..EExtended strand (participates in β ladder)trans-125.4134.2165.8-55.40000108.4I371 I373T349-I371 CarbonylContact C-O 3.53Å; T349-I371 VanDerWaalsContact CA-O 3.31Å; T349-I371 WeakPolarHBondContact CA-O 3.3Å; T349-I373 HydrophobicContact CG2-CD1 4.18Å; T349-I373 HydrophobicContact CG2-CG1 3.65Å
350R98.2Very high97.5Very high91 Ų9145.2 Ų45.234%0.34323%0.233SC..EExtended strand (participates in β ladder)trans-141.4160.6-178.1-67.9-62.9-179.2-91.73.5109.5K354 I371 L372 I373R350-K354 HydrophobicContact CB-CB 4.09Å; R350-K354 HydrophobicContact CG-CB 4.49Å; R350-I371 PolarHBondContact N-O 3.32Å; R350-L372 HydrophobicContact CB-CD2 4.04Å; R350-L372 CarbonylContact O-C 3.48Å; R350-L372 VanDerWaalsContact O-CA 3.26Å; R350-L372 WeakPolarHBondContact O-CA 2.89Å; R350-I373 PolarHBondContact O-N 3.24Å
351S98.3Very high97.5Very high51 Ų5145.8 Ų45.836%0.35724%0.236SC..EExtended strand (participates in β ladder)trans-77.6161.116663.20000110.4D353 K354 I373S351-D353 PolarHBondContact O-N 3.11Å; S351-K354 PolarHBondContact O-N 3.11Å; S351-I373 CarbonylContact C-O 3.57Å; S351-I373 WeakPolarHBondContact CA-O 3.44Å
352L98.3Very high97.5Very high3 Ų343.3 Ų43.32%0.01622%0.222CC..G310 helixtrans-53.5-35.5173.9-175.165.5000112.7K11 A13 I24 F147 K354 I355 L372 I373 L374K11-L352 HydrophobicContact CD-CD2 4.39Å; K11-L352 HydrophobicContact CG-CD2 4.3Å; A13-L352 HydrophobicContact CB-CD1 4.09Å; I24-L352 HydrophobicContact CD1-CG 4.38Å; I24-L352 WeakPolarHBondContact CD1-O 3.31Å; F147-L352 HydrophobicContact CB-CD1 4.28Å; L352-K354 PolarHBondContact O-N 3.44Å; L352-I355 HydrophobicContact CD1-CD1 4.44Å; L352-I355 WeakPolarHBondContact O-CB 3.2Å; L352-I355 WeakPolarHBondContact O-CG2 3.39Å; L352-I355 PolarHBondContact O-N 2.84Å; L352-L372 HydrophobicContact CD1-CD1 4.33Å; L352-I373 PolarHBondContact N-O 3.03Å; L352-L374 HydrophobicContact CB-CG 4.39Å; L352-L374 HydrophobicContact CD2-CD2 3.97Å; L352-L374 HydrophobicContact CD2-CG 4.41Å
353D98.3Very high97.3Very high75 Ų7549.3 Ų49.340%0.40125%0.248SC..G310 helixtrans-57.1-23.9177.1-60.6-63.7000113.4K11 S351K11-D353 WeakPolarHBondContact CD-OD1 3.28Å; K11-D353 WeakPolarHBondContact CE-OD1 3.4Å; K11-D353 IonicContact NZ-OD1 3.31Å; K11-D353 PolarHBondContact NZ-OD1 3.38Å; K11-D353 IonicContact NZ-OD2 2.94Å; K11-D353 PolarHBondContact NZ-OD2 3.01Å; S351-D353 PolarHBondContact O-N 3.11Å
354K98.3Very high97.1Very high89 Ų8949.6 Ų49.639%0.38725%0.253SS..G310 helixtrans-101.317.1-178.2-58.6-51.7-155.5160.60112.9R350 S351 L352 N356 E357 A358R350-K354 HydrophobicContact CB-CB 4.09Å; R350-K354 HydrophobicContact CG-CB 4.49Å; S351-K354 PolarHBondContact O-N 3.11Å; L352-K354 PolarHBondContact O-N 3.44Å; K354-N356 VanDerWaalsContact C-N 3.27Å; K354-N356 PolarHBondContact O-N 3.13Å; K354-E357 VanDerWaalsContact CD-OE1 3.32Å; K354-E357 WeakPolarHBondContact CD-OE1 3.36Å; K354-E357 WeakPolarHBondContact CE-OE1 3.1Å; K354-E357 IonicContact NZ-OE1 3.14Å; K354-E357 PolarHBondContact NZ-OE1 2.75Å; K354-E357 WeakPolarHBondContact O-CB 3.48Å; K354-E357 PolarHBondContact O-N 2.87Å; K354-A358 PolarHBondContact O-N 2.98Å; K354-A358 VanDerWaalsContact O-N 3.08Å
355I98.4Very high96.8Very high0 Ų049.4 Ų49.40%026%0.255CS..Hα-helixtrans-55-39.7-179.6-171.8167.5000113.1A13 F22 I24 F147 L352 E357 A358 V359 L372A13-I355 HydrophobicContact CB-CD1 3.92Å; A13-I355 HydrophobicContact CB-CG2 4.12Å; F22-I355 HydrophobicContact CB-CG2 3.86Å; F22-I355 HydrophobicContact CD2-CD1 3.74Å; F22-I355 HydrophobicContact CD2-CG1 3.84Å; F22-I355 HydrophobicContact CD2-CG2 4.12Å; F22-I355 HydrophobicContact CE2-CD1 3.79Å; F22-I355 HydrophobicContact CE2-CG1 4.06Å; F22-I355 HydrophobicContact CG-CD1 4.1Å; F22-I355 HydrophobicContact CG-CG2 4.26Å; F22-I355 HydrophobicContact CZ-CD1 4.22Å; I24-I355 HydrophobicContact CD1-CG2 3.82Å; F147-I355 HydrophobicContact CB-CD1 4.45Å; F147-I355 HydrophobicContact CD1-CD1 4.32Å; F147-I355 HydrophobicContact CD2-CD1 3.46Å; F147-I355 VanDerWaalsContact CD2-CD1 3.46Å; F147-I355 HydrophobicContact CE1-CD1 4.46Å; F147-I355 HydrophobicContact CE2-CD1 3.63Å; F147-I355 HydrophobicContact CG-CD1 3.85Å; F147-I355 HydrophobicContact CZ-CD1 4.14Å; L352-I355 HydrophobicContact CD1-CD1 4.44Å; L352-I355 WeakPolarHBondContact O-CB 3.2Å; L352-I355 WeakPolarHBondContact O-CG2 3.39Å; L352-I355 PolarHBondContact O-N 2.84Å; I355-E357 VanDerWaalsContact C-N 3.33Å; I355-E357 PolarHBondContact O-N 3.05Å; I355-A358 WeakPolarHBondContact O-CB 3.31Å; I355-A358 PolarHBondContact O-N 3.2Å; I355-A358 VanDerWaalsContact O-N 3.17Å; I355-V359 WeakPolarHBondContact O-CG2 3.37Å; I355-V359 PolarHBondContact O-N 2.94Å; I355-L372 HydrophobicContact CB-CD1 4.14Å; I355-L372 HydrophobicContact CD1-CD1 3.77Å; I355-L372 HydrophobicContact CG1-CD1 3.74Å
356N98.3Very high96.6Very high52 Ų5255.7 Ų55.728%0.27828%0.283SS..Hα-helixtrans-67.6-33.9179.2-69.3-52.3000112F22 K354 A358 V359 E360F22-N356 PolarHBondContact N-OD1 2.84Å; F22-N356 PolarHBondContact O-ND2 2.92Å; K354-N356 VanDerWaalsContact C-N 3.27Å; K354-N356 PolarHBondContact O-N 3.13Å; N356-A358 VanDerWaalsContact C-N 3.35Å; N356-V359 WeakPolarHBondContact O-CB 3.26Å; N356-V359 PolarHBondContact O-N 3.34Å; N356-E360 WeakPolarHBondContact O-CG 3.45Å; N356-E360 PolarHBondContact O-N 2.91Å; N356-E360 VanDerWaalsContact O-N 3.12Å
357E97.8Very high96.4Very high92 Ų9255.1 Ų55.143%0.4328%0.281SS..Hα-helixtrans-66-39.9172.1-63.2175.1-163.900110.9K354 I355 V359 E360 L361K354-E357 VanDerWaalsContact CD-OE1 3.32Å; K354-E357 WeakPolarHBondContact CD-OE1 3.36Å; K354-E357 WeakPolarHBondContact CE-OE1 3.1Å; K354-E357 IonicContact NZ-OE1 3.14Å; K354-E357 PolarHBondContact NZ-OE1 2.75Å; K354-E357 WeakPolarHBondContact O-CB 3.48Å; K354-E357 PolarHBondContact O-N 2.87Å; I355-E357 VanDerWaalsContact C-N 3.33Å; I355-E357 PolarHBondContact O-N 3.05Å; E357-V359 VanDerWaalsContact C-N 3.34Å; E357-V359 PolarHBondContact O-N 3.36Å; E357-E360 PolarHBondContact O-N 3.36Å; E357-L361 WeakPolarHBondContact O-CG 3.33Å; E357-L361 PolarHBondContact O-N 3.25Å
358A97.6Very high96.3Very high0 Ų053.5 Ų53.50%027%0.27CS..Hα-helixtrans-63.3-3917500000112.4L46 K354 I355 N356 L361 M362 C370 L372L46-A358 HydrophobicContact CD2-CB 3.9Å; K354-A358 PolarHBondContact O-N 2.98Å; K354-A358 VanDerWaalsContact O-N 3.08Å; I355-A358 WeakPolarHBondContact O-CB 3.31Å; I355-A358 PolarHBondContact O-N 3.2Å; I355-A358 VanDerWaalsContact O-N 3.17Å; N356-A358 VanDerWaalsContact C-N 3.35Å; A358-L361 PolarHBondContact O-N 3.11Å; A358-M362 WeakPolarHBondContact O-CG 3.5Å; A358-M362 PolarHBondContact O-N 3.45Å; A358-C370 HydrophobicContact CB-CB 4Å; A358-C370 VanDerWaalsContact CB-SG 3.56Å; A358-L372 HydrophobicContact CB-CD2 4.15Å
359V97.2Very high96.2Very high5 Ų551.9 Ų51.93%0.0326%0.262CS..Hα-helixtrans-59.1-45.4173.2166.40000110.8F22 L46 M51 L54 I355 N356 E357 M362 K363F22-V359 HydrophobicContact CD2-CG2 4.2Å; F22-V359 HydrophobicContact CE2-CG2 3.84Å; L46-V359 HydrophobicContact CD2-CG2 3.93Å; M51-V359 HydrophobicContact CE-CB 4.49Å; M51-V359 HydrophobicContact CE-CG1 3.84Å; M51-V359 WeakPolarHBondContact CE-O 3.28Å; M51-V359 HydrophobicContact SD-CG1 4.39Å; M51-V359 HydrophobicContact SD-CG2 4.41Å; L54-V359 HydrophobicContact CD1-CG1 3.84Å; L54-V359 HydrophobicContact CD1-CG2 3.85Å; I355-V359 WeakPolarHBondContact O-CG2 3.37Å; I355-V359 PolarHBondContact O-N 2.94Å; N356-V359 WeakPolarHBondContact O-CB 3.26Å; N356-V359 PolarHBondContact O-N 3.34Å; E357-V359 VanDerWaalsContact C-N 3.34Å; E357-V359 PolarHBondContact O-N 3.36Å; V359-M362 PolarHBondContact O-N 3.16Å; V359-K363 HydrophobicContact CG1-CD 4.4Å; V359-K363 WeakPolarHBondContact O-CG 3.42Å; V359-K363 PolarHBondContact O-N 3.41Å
360E96.7Very high96.2Very high96 Ų9648.7 Ų48.745%0.44924%0.243SC..Hα-helixtrans-67.1-36.9178.3-66.6-50.8125.300112.9N356 E357 M362 K363 T364N356-E360 WeakPolarHBondContact O-CG 3.45Å; N356-E360 PolarHBondContact O-N 2.91Å; N356-E360 VanDerWaalsContact O-N 3.12Å; E357-E360 PolarHBondContact O-N 3.36Å; E360-M362 VanDerWaalsContact C-N 3.31Å; E360-M362 PolarHBondContact O-N 3.27Å; E360-K363 PolarHBondContact O-N 2.89Å; E360-K363 IonicContact OE1-NZ 2.61Å; E360-K363 PolarHBondContact OE1-NZ 3.5Å; E360-T364 WeakPolarHBondContact O-CB 3.38Å; E360-T364 WeakPolarHBondContact O-CG2 3.4Å; E360-T364 PolarHBondContact O-N 3.14Å; E360-T364 PolarHBondContact O-OG1 3.3Å
361L95.8Very high96.2Very high36 Ų3644.4 Ų44.419%0.18823%0.226CC..Hα-helixtrans-61.4-39.2172.5-70.9170.9000112.1E357 A358 T364 G365 K366 C367E357-L361 WeakPolarHBondContact O-CG 3.33Å; E357-L361 PolarHBondContact O-N 3.25Å; A358-L361 PolarHBondContact O-N 3.11Å; L361-T364 PolarHBondContact O-OG1 2.9Å; L361-G365 PolarHBondContact O-N 2.92Å; L361-K366 HydrophobicContact CD2-CB 4.34Å; L361-K366 PolarHBondContact O-N 3.31Å; L361-K366 VanDerWaalsContact O-N 3.07Å; L361-C367 HydrophobicContact CB-CB 3.86Å; L361-C367 PolarHBondContact O-N 3.09Å
362M94.1Very high96.3Very high30 Ų3042 Ų4215%0.14821%0.209CC..Hα-helixtrans-67.9-44175.5-71-69.5-74.300111.8L46 M51 A358 V359 E360 T364 G365 C367L46-M362 HydrophobicContact CD2-CG 3.8Å; L46-M362 HydrophobicContact CG-CG 4.29Å; M51-M362 HydrophobicContact CE-CB 3.81Å; M51-M362 HydrophobicContact CG-CB 4.06Å; M51-M362 HydrophobicContact CG-CE 4.24Å; M51-M362 HydrophobicContact SD-CB 3.74Å; M51-M362 HydrophobicContact SD-CG 4.28Å; A358-M362 WeakPolarHBondContact O-CG 3.5Å; A358-M362 PolarHBondContact O-N 3.45Å; V359-M362 PolarHBondContact O-N 3.16Å; E360-M362 VanDerWaalsContact C-N 3.31Å; E360-M362 PolarHBondContact O-N 3.27Å; M362-T364 VanDerWaalsContact C-N 3.32Å; M362-T364 PolarHBondContact O-N 3.44Å; M362-G365 PolarHBondContact O-N 2.66Å; M362-C367 HydrophobicContact CG-CB 4.22Å; M362-C367 HydrophobicContact SD-CB 3.73Å; M362-C367 PolarHBondContact SD-SG 3.24Å
363K93.3Very high96.3Very high126 Ų12644.7 Ų44.755%0.54822%0.224SC..Hα-helixtrans-61.4-39.7177.7-73.5178.1-173.8164.20112.7M51 V359 E360 G365M51-K363 HydrophobicContact CE-CD 4.48Å; M51-K363 HydrophobicContact CE-CG 3.52Å; V359-K363 HydrophobicContact CG1-CD 4.4Å; V359-K363 WeakPolarHBondContact O-CG 3.42Å; V359-K363 PolarHBondContact O-N 3.41Å; E360-K363 PolarHBondContact O-N 2.89Å; E360-K363 IonicContact OE1-NZ 2.61Å; E360-K363 PolarHBondContact OE1-NZ 3.5Å; K363-G365 PolarHBondContact O-N 3Å
364T92.7Very high96.1Very high78 Ų7843.9 Ų43.948%0.47922%0.219SC..THydrogen-bonded Turntrans-80.61.4-179.555.40000113.4E360 L361 M362 K366E360-T364 WeakPolarHBondContact O-CB 3.38Å; E360-T364 WeakPolarHBondContact O-CG2 3.4Å; E360-T364 PolarHBondContact O-N 3.14Å; E360-T364 PolarHBondContact O-OG1 3.3Å; L361-T364 PolarHBondContact O-OG1 2.9Å; M362-T364 VanDerWaalsContact C-N 3.32Å; M362-T364 PolarHBondContact O-N 3.44Å; T364-K366 PolarHBondContact O-N 2.88Å
365G91.3Very high96Very high23 Ų2341.6 Ų41.624%0.23721%0.21CC..THydrogen-bonded Turntrans72.88.117800000114.7L361 M362 K363 C367L361-G365 PolarHBondContact O-N 2.92Å; M362-G365 PolarHBondContact O-N 2.66Å; K363-G365 PolarHBondContact O-N 3Å; G365-C367 VanDerWaalsContact C-N 3.29Å; G365-C367 PolarHBondContact O-N 3.23Å
366K92.4Very high95.9Very high135 Ų13543.8 Ų43.859%0.58722%0.221SC*.  trans-85.2-0.3-178.4-64-177.1179.8-179.40113.3H348 L361 T364H348-K366 PolarHBondContact CE1-O 2.82Å; H348-K366 VanDerWaalsContact CE1-O 3.27Å; L361-K366 HydrophobicContact CD2-CB 4.34Å; L361-K366 PolarHBondContact O-N 3.31Å; L361-K366 VanDerWaalsContact O-N 3.07Å; T364-K366 PolarHBondContact O-N 2.88Å
367C94.2Very high95.8Very high13 Ų1343.3 Ų43.39%0.08822%0.218CC..  trans-130.9137.7-177.4-179.90000111.7L361 M362 G365 C370L361-C367 HydrophobicContact CB-CB 3.86Å; L361-C367 PolarHBondContact O-N 3.09Å; M362-C367 HydrophobicContact CG-CB 4.22Å; M362-C367 HydrophobicContact SD-CB 3.73Å; M362-C367 PolarHBondContact SD-SG 3.24Å; G365-C367 VanDerWaalsContact C-N 3.29Å; G365-C367 PolarHBondContact O-N 3.23Å; C367-C370 PolarHBondContact SG-N 2.99Å; C367-C370 VanDerWaalsContact SG-N 3.36Å
368I94.9Very high95.7Very high19 Ų1940.5 Ų40.510%0.09721%0.206CC..SBendtrans-95.3-57.1172.6-66.2170.2000109L206 K232 L345 T347L206-I368 HydrophobicContact CD1-CD1 3.59Å; L206-I368 HydrophobicContact CD1-CG1 4.13Å; L206-I368 HydrophobicContact CD1-CG2 3.75Å; K232-I368 HydrophobicContact CB-CD1 4.21Å; K232-I368 HydrophobicContact CG-CD1 3.64Å; L345-I368 WeakPolarHBondContact O-CG2 3.46Å; T347-I368 HydrophobicContact CG2-CB 3.89Å; T347-I368 HydrophobicContact CG2-CD1 3.78Å; T347-I368 HydrophobicContact CG2-CG1 3.99Å; T347-I368 PolarHBondContact OG1-N 3.08Å; T347-I368 VanDerWaalsContact OG1-N 3.15Å
369R96.9Very high95.5Very high9 Ų943 Ų433%0.03422%0.219CC..EExtended strand (participates in β ladder)trans-137.3132.9166.9-69.4-70.6-175.7-91.48.4109.9E70 L172 L345 T347 H348E70-R369 IonicContact OE1-NE 3.45Å; E70-R369 PolarHBondContact OE1-NE 2.61Å; E70-R369 IonicContact OE2-NE 3.76Å; L172-R369 HydrophobicContact CD2-CB 4.02Å; L172-R369 HydrophobicContact CD2-CG 3.75Å; L345-R369 VanDerWaalsContact O-CB 3.27Å; L345-R369 WeakPolarHBondContact O-CB 3.46Å; L345-R369 PolarHBondContact O-N 3.26Å; T347-R369 PolarHBondContact N-O 3.04Å; T347-R369 VanDerWaalsContact N-O 3.07Å; H348-R369 PolarHBondContact N-O 2.78Å
370C97.9Very high95.4Very high0 Ų045.5 Ų45.50%023%0.231CC..EExtended strand (participates in β ladder)trans-105.1122.6165.4-172.40000107.9L46 H348 A358 C367L46-C370 PolarHBondContact N-O 3.43Å; H348-C370 HydrophobicContact CB-CB 4.16Å; H348-C370 CarbonylContact O-C 3.58Å; H348-C370 VanDerWaalsContact O-CA 3.29Å; H348-C370 WeakPolarHBondContact O-CA 3.45Å; A358-C370 HydrophobicContact CB-CB 4Å; A358-C370 VanDerWaalsContact CB-SG 3.56Å; C367-C370 PolarHBondContact SG-N 2.99Å; C367-C370 VanDerWaalsContact SG-N 3.36Å
371I98.6Very high95.3Very high0 Ų041.9 Ų41.90%022%0.216CC..EExtended strand (participates in β ladder)trans-88.4125.6170.4-54.3-52.6000108.1A43 D168 L172 I346 H348 T349 R350 I373A43-I371 HydrophobicContact CB-CG2 3.95Å; D168-I371 HydrophobicContact CB-CG2 4.41Å; L172-I371 HydrophobicContact CD2-CD1 3.56Å; L172-I371 HydrophobicContact CG-CD1 4.09Å; I346-I371 HydrophobicContact CD1-CG1 4.13Å; I346-I371 HydrophobicContact CG1-CD1 4.32Å; I346-I371 HydrophobicContact CG1-CG1 4.07Å; I346-I371 HydrophobicContact CG2-CG1 3.77Å; H348-I371 PolarHBondContact O-N 3.05Å; T349-I371 CarbonylContact C-O 3.53Å; T349-I371 VanDerWaalsContact CA-O 3.31Å; T349-I371 WeakPolarHBondContact CA-O 3.3Å; R350-I371 PolarHBondContact N-O 3.32Å; I371-I373 HydrophobicContact CG2-CD1 3.96Å
372L98.6Very high95.3Very high0 Ų042.4 Ų42.40%022%0.218CC..EExtended strand (participates in β ladder)trans-95.7123171.3-56.3174.3000108.1A43 T44 F147 R350 L352 I355 A358A43-L372 CarbonylContact C-O 3.56Å; A43-L372 VanDerWaalsContact CA-O 3.3Å; A43-L372 WeakPolarHBondContact CA-O 3.39Å; T44-L372 HydrophobicContact CG2-CB 3.83Å; T44-L372 HydrophobicContact CG2-CD1 4.27Å; T44-L372 PolarHBondContact N-O 2.7Å; T44-L372 PolarHBondContact O-N 3.06Å; F147-L372 HydrophobicContact CD1-CD1 4.24Å; F147-L372 HydrophobicContact CE1-CD1 4.01Å; R350-L372 HydrophobicContact CB-CD2 4.04Å; R350-L372 CarbonylContact O-C 3.48Å; R350-L372 VanDerWaalsContact O-CA 3.26Å; R350-L372 WeakPolarHBondContact O-CA 2.89Å; L352-L372 HydrophobicContact CD1-CD1 4.33Å; I355-L372 HydrophobicContact CB-CD1 4.14Å; I355-L372 HydrophobicContact CD1-CD1 3.77Å; I355-L372 HydrophobicContact CG1-CD1 3.74Å; A358-L372 HydrophobicContact CB-CD2 4.15Å
373I98.4Very high95.4Very high61 Ų6143.4 Ų43.431%0.31322%0.223SC..EExtended strand (participates in β ladder)trans-92.4136.7171.9-54.2-59000108.4A43 D168 T349 R350 S351 L352 I371A43-I373 HydrophobicContact CB-CD1 4Å; D168-I373 HydrophobicContact CB-CD1 3.82Å; T349-I373 HydrophobicContact CG2-CD1 4.18Å; T349-I373 HydrophobicContact CG2-CG1 3.65Å; R350-I373 PolarHBondContact O-N 3.24Å; S351-I373 CarbonylContact C-O 3.57Å; S351-I373 WeakPolarHBondContact CA-O 3.44Å; L352-I373 PolarHBondContact N-O 3.03Å; I371-I373 HydrophobicContact CG2-CD1 3.96Å
374L95.7Very high95.6Very high57 Ų5735.9 Ų35.930%0.29819%0.194SC..  trans-107.40-177.7-6393.1000112.3V41 V42 T44 S148 E149 L352V41-L374 HydrophobicContact CB-CD1 4.31Å; V41-L374 HydrophobicContact CB-CD2 4.14Å; V41-L374 HydrophobicContact CG1-CD1 3.75Å; V41-L374 HydrophobicContact CG1-CD2 4.28Å; V42-L374 PolarHBondContact O-N 3.03Å; T44-L374 HydrophobicContact CG2-CD1 3.88Å; S148-L374 WeakPolarHBondContact O-CD2 3.5Å; E149-L374 HydrophobicContact CG-CB 4.3Å; L352-L374 HydrophobicContact CB-CG 4.39Å; L352-L374 HydrophobicContact CD2-CD2 3.97Å; L352-L374 HydrophobicContact CD2-CG 4.41Å

Retrieved 374 of 374 residues in 74.4 ms (Link to these results)

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