A0A096M062_POEFO Loading...

Tyrosine-protein phosphatase non-receptor type 9

Protein-tyrosine phosphatase that could participate in the transfer of hydrophobic ligands or in functions of the Golgi apparatus.

AlphaFold DB , UniProt , Accession A0A096M062, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 578 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
1M34Very low77.9Confident242 Ų24294.5 Ų94.5100%1.19255%0.549SS*.  0114.50-72.8-172.5-86.900107.5A3M1-A3 PolarHBondContact O-N 3.34Å
2A43.3Very low79.4Confident88 Ų8887.4 Ų87.473%0.72751%0.509SS*.PPolyproline II helixtrans-62.8122.3173.800000107.5T4A2-T4 PolarHBondContact O-N 3.35Å
3A56.9Low80.6Confident43 Ų4380.8 Ų80.836%0.35547%0.471SS..PPolyproline II helixtrans-64.1128.6174.900000107.5M1 L5 F132M1-A3 PolarHBondContact O-N 3.34Å; A3-L5 PolarHBondContact O-N 3.23Å; A3-F132 HydrophobicContact CB-CD1 4.26Å; A3-F132 HydrophobicContact CB-CE1 3.36Å; A3-F132 HydrophobicContact CB-CZ 3.56Å
4T76.9Confident81.7Confident139 Ų13986.8 Ų86.885%0.85348%0.481SS*.PPolyproline II helixtrans-56.1121174.127.90000109.1A2A2-T4 PolarHBondContact O-N 3.35Å
5L85.3Confident82.5Confident20 Ų2086.7 Ų86.711%0.10548%0.476CS..PPolyproline II helixtrans-65147.3169.3-63.5-173.7000108.5A3 E9 E10 R34 V38 M42 F46A3-L5 PolarHBondContact O-N 3.23Å; L5-E9 HydrophobicContact CB-CB 3.86Å; L5-E9 HydrophobicContact CD1-CB 4.41Å; L5-E9 HydrophobicContact CD2-CB 4.35Å; L5-E9 HydrophobicContact CG-CB 4.43Å; L5-E10 HydrophobicContact CB-CG 3.9Å; L5-R34 VanDerWaalsContact CD1-NH2 3.26Å; L5-V38 HydrophobicContact CD1-CG2 3.79Å; L5-V38 HydrophobicContact CD2-CG1 4.49Å; L5-M42 HydrophobicContact CD2-CE 4.33Å; L5-F46 HydrophobicContact CD1-CE1 4.17Å; L5-F46 HydrophobicContact CD1-CZ 4.41Å; L5-F46 HydrophobicContact CD2-CE1 4.25Å; L5-F46 HydrophobicContact CD2-CZ 3.68Å
6S91.4Very high83.2Confident53 Ų5381.3 Ų81.337%0.37145%0.446SS..PPolyproline II helixtrans-64.8163167.662.50000110.9E8 E9 E10S6-E8 PolarHBondContact O-N 3.49Å; S6-E9 PolarHBondContact N-OE2 2.88Å; S6-E9 PolarHBondContact O-N 3.43Å; S6-E9 VanDerWaalsContact O-N 3.12Å; S6-E9 WeakPolarHBondContact OG-CB 3.46Å; S6-E9 VanDerWaalsContact OG-CD 3.31Å; S6-E9 WeakPolarHBondContact OG-CG 3.42Å; S6-E9 PolarHBondContact OG-N 3.12Å; S6-E9 PolarHBondContact OG-OE2 2.73Å; S6-E10 WeakPolarHBondContact O-CG 3.25Å; S6-E10 PolarHBondContact O-N 3.15Å
7A92.3Very high83.9Confident85 Ų8578.3 Ų78.370%0.70243%0.429SS*.Hα-helixtrans-57.6-37.6178.100000112.6E10 Q11A7-E10 PolarHBondContact O-N 2.84Å; A7-Q11 PolarHBondContact O-N 3.13Å
8E93.1Very high84.2Confident157 Ų15781 Ų8173%0.73444%0.438SS*.Hα-helixtrans-66.1-42.9175.9-65.3178.7-179.100111.8S6 Q11 A12S6-E8 PolarHBondContact O-N 3.49Å; E8-Q11 PolarHBondContact O-N 2.87Å; E8-A12 PolarHBondContact O-N 3.37Å
9E94.4Very high84.3Confident47 Ų4782.4 Ų82.422%0.2244%0.442CS..Hα-helixtrans-67-36.4177.1-71.5171.8140.700112L5 S6 T13 F46L5-E9 HydrophobicContact CB-CB 3.86Å; L5-E9 HydrophobicContact CD1-CB 4.41Å; L5-E9 HydrophobicContact CD2-CB 4.35Å; L5-E9 HydrophobicContact CG-CB 4.43Å; S6-E9 PolarHBondContact N-OE2 2.88Å; S6-E9 PolarHBondContact O-N 3.43Å; S6-E9 VanDerWaalsContact O-N 3.12Å; S6-E9 WeakPolarHBondContact OG-CB 3.46Å; S6-E9 VanDerWaalsContact OG-CD 3.31Å; S6-E9 WeakPolarHBondContact OG-CG 3.42Å; S6-E9 PolarHBondContact OG-N 3.12Å; S6-E9 PolarHBondContact OG-OE2 2.73Å; E9-T13 WeakPolarHBondContact O-CB 3.49Å; E9-T13 PolarHBondContact O-N 3.45Å; E9-T13 PolarHBondContact O-OG1 2.68Å; E9-F46 HydrophobicContact CB-CD1 3.72Å; E9-F46 HydrophobicContact CB-CD2 4.36Å; E9-F46 HydrophobicContact CB-CE1 3.63Å; E9-F46 HydrophobicContact CB-CE2 4.27Å; E9-F46 HydrophobicContact CB-CG 4.11Å; E9-F46 HydrophobicContact CB-CZ 3.92Å; E9-F46 HydrophobicContact CG-CB 4.35Å; E9-F46 HydrophobicContact CG-CD1 3.83Å; E9-F46 HydrophobicContact CG-CD2 3.6Å; E9-F46 HydrophobicContact CG-CE1 3.95Å; E9-F46 HydrophobicContact CG-CE2 3.71Å; E9-F46 HydrophobicContact CG-CG 3.66Å; E9-F46 HydrophobicContact CG-CZ 3.89Å; E9-F46 WeakPolarHBondContact OE1-CD2 3.36Å; E9-F46 WeakPolarHBondContact OE1-CE2 3.4Å
10E94.9Very high84.4Confident52 Ų5278.5 Ų78.524%0.24342%0.421CS..Hα-helixtrans-63.8-41.9171-70.9-67.9179.900111.4L5 S6 A7 T13 R14 R34L5-E10 HydrophobicContact CB-CG 3.9Å; S6-E10 WeakPolarHBondContact O-CG 3.25Å; S6-E10 PolarHBondContact O-N 3.15Å; A7-E10 PolarHBondContact O-N 2.84Å; E10-T13 WeakPolarHBondContact O-CB 3.47Å; E10-T13 PolarHBondContact O-N 3.41Å; E10-R14 WeakPolarHBondContact O-CG 3.34Å; E10-R14 PolarHBondContact O-N 3.42Å; E10-R34 IonicContact OE1-CZ 3.93Å; E10-R34 IonicContact OE1-NH2 3.22Å; E10-R34 PolarHBondContact OE1-NH2 3.13Å; E10-R34 IonicContact OE2-CZ 3.55Å; E10-R34 IonicContact OE2-NE 2.74Å; E10-R34 PolarHBondContact OE2-NE 2.95Å; E10-R34 IonicContact OE2-NH2 3.42Å; E10-R34 PolarHBondContact OE2-NH2 2.79Å
11Q94.8Very high84.6Confident114 Ų11476.5 Ų76.553%0.53341%0.41SS..Hα-helixtrans-64.1-45.8177.1-177.1173.23.900111.8A7 E8 T13 R14 Q15A7-Q11 PolarHBondContact O-N 3.13Å; E8-Q11 PolarHBondContact O-N 2.87Å; Q11-T13 VanDerWaalsContact C-N 3.26Å; Q11-T13 PolarHBondContact O-N 3.42Å; Q11-R14 PolarHBondContact O-N 2.98Å; Q11-Q15 WeakPolarHBondContact O-CG 3.27Å; Q11-Q15 PolarHBondContact O-N 3.3Å
12A94.9Very high86.8Confident9 Ų971 Ų717%0.07438%0.379CS..Hα-helixtrans-61-36.9174.700000111.8E8 Q15 F16 L41 F46 V48E8-A12 PolarHBondContact O-N 3.37Å; A12-Q15 PolarHBondContact O-N 2.98Å; A12-F16 WeakPolarHBondContact O-CB 3.38Å; A12-F16 PolarHBondContact O-N 2.78Å; A12-L41 HydrophobicContact CB-CD2 4.47Å; A12-F46 HydrophobicContact CB-CB 4.15Å; A12-F46 HydrophobicContact CB-CD1 4.22Å; A12-V48 HydrophobicContact CB-CG2 3.74Å
13T95.9Very high88.5Confident2 Ų268.4 Ų68.41%0.01235%0.351CS..Hα-helixtrans-63.4-42.8175-56.60000111.8E9 E10 Q11 L17 R34 A37 V38 L41E9-T13 WeakPolarHBondContact O-CB 3.49Å; E9-T13 PolarHBondContact O-N 3.45Å; E9-T13 PolarHBondContact O-OG1 2.68Å; E10-T13 WeakPolarHBondContact O-CB 3.47Å; E10-T13 PolarHBondContact O-N 3.41Å; Q11-T13 VanDerWaalsContact C-N 3.26Å; Q11-T13 PolarHBondContact O-N 3.42Å; T13-L17 HydrophobicContact CG2-CD1 4.06Å; T13-L17 WeakPolarHBondContact O-CB 3.48Å; T13-L17 VanDerWaalsContact O-CG 3.29Å; T13-L17 WeakPolarHBondContact O-CG 3.37Å; T13-L17 PolarHBondContact O-N 2.77Å; T13-R34 HydrophobicContact CG2-CG 3.94Å; T13-A37 HydrophobicContact CG2-CB 4.28Å; T13-V38 HydrophobicContact CG2-CG2 3.95Å; T13-L41 VanDerWaalsContact CA-CD1 3.47Å; T13-L41 HydrophobicContact CG2-CD1 4.39Å
14R95.2Very high89.4Confident164 Ų16466.3 Ų66.362%0.61933%0.334SS*.Hα-helixtrans-63.2-48.5175.1-69.6175.7-168.4171.93.5111.8E10 Q11 F16 L17 E18E10-R14 WeakPolarHBondContact O-CG 3.34Å; E10-R14 PolarHBondContact O-N 3.42Å; Q11-R14 PolarHBondContact O-N 2.98Å; R14-F16 VanDerWaalsContact C-N 3.35Å; R14-F16 PolarHBondContact O-N 3.32Å; R14-L17 PolarHBondContact O-N 3.1Å; R14-E18 WeakPolarHBondContact O-CB 3.42Å; R14-E18 WeakPolarHBondContact O-CG 3.5Å; R14-E18 PolarHBondContact O-N 2.91Å
15Q93.6Very high89.5Confident86 Ų8664 Ų6440%0.40232%0.323SS..Hα-helixtrans-59.5-44179.3-72176.1-13.900112.4Q11 A12 E18 E19 V48Q11-Q15 WeakPolarHBondContact O-CG 3.27Å; Q11-Q15 PolarHBondContact O-N 3.3Å; A12-Q15 PolarHBondContact O-N 2.98Å; Q15-E18 PolarHBondContact O-N 3.07Å; Q15-E19 PolarHBondContact O-N 3.07Å; Q15-V48 HydrophobicContact CB-CG1 4.24Å; Q15-V48 HydrophobicContact CB-CG2 4.26Å
16F94.9Very high88.9Confident0 Ų069 Ų690%035%0.346CS..Hα-helixtrans-61.4-46175.7179-84.5000111.8A12 R14 E19 I20 L32 A37 F40 L41 V48 A51 I52 F55A12-F16 WeakPolarHBondContact O-CB 3.38Å; A12-F16 PolarHBondContact O-N 2.78Å; R14-F16 VanDerWaalsContact C-N 3.35Å; R14-F16 PolarHBondContact O-N 3.32Å; F16-E19 PolarHBondContact O-N 3.48Å; F16-I20 HydrophobicContact CD1-CG1 4.18Å; F16-I20 HydrophobicContact CE1-CB 4.43Å; F16-I20 HydrophobicContact CE1-CG1 3.78Å; F16-I20 HydrophobicContact CE2-CG1 4.13Å; F16-I20 HydrophobicContact CZ-CG1 3.75Å; F16-I20 WeakPolarHBondContact O-CB 3.5Å; F16-I20 WeakPolarHBondContact O-CG1 3.42Å; F16-I20 PolarHBondContact O-N 2.86Å; F16-L32 HydrophobicContact CE1-CD2 3.59Å; F16-L32 HydrophobicContact CZ-CD2 4.4Å; F16-A37 HydrophobicContact CD1-CB 3.53Å; F16-A37 HydrophobicContact CE1-CB 3.78Å; F16-F40 HydrophobicContact CE2-CB 4.29Å; F16-F40 HydrophobicContact CZ-CB 4.02Å; F16-F40 HydrophobicContact CZ-CD2 4.39Å; F16-F40 HydrophobicContact CZ-CG 4.37Å; F16-L41 HydrophobicContact CB-CD1 3.9Å; F16-L41 HydrophobicContact CB-CD2 4.22Å; F16-L41 HydrophobicContact CB-CG 4.3Å; F16-L41 HydrophobicContact CD2-CD2 4.3Å; F16-L41 HydrophobicContact CD2-CG 4.32Å; F16-L41 HydrophobicContact CG-CD1 4.19Å; F16-L41 HydrophobicContact CG-CD2 4.46Å; F16-L41 HydrophobicContact CG-CG 4.26Å; F16-V48 HydrophobicContact CB-CG1 4.25Å; F16-A51 HydrophobicContact CD2-CB 3.85Å; F16-A51 HydrophobicContact CE2-CB 3.81Å; F16-I52 HydrophobicContact CD2-CG1 3.7Å; F16-I52 HydrophobicContact CE2-CG1 3.84Å; F16-F55 HydrophobicContact CE2-CB 4.45Å; F16-F55 HydrophobicContact CZ-CB 4.11Å; F16-F55 HydrophobicContact CZ-CG 4.38Å
17L93.8Very high87.7Confident30 Ų3069.1 Ų69.116%0.15734%0.34CS..Hα-helixtrans-65.3-39.2178.8-75.9170.4000111.9T13 R14 N21 L32 R34 A37T13-L17 HydrophobicContact CG2-CD1 4.06Å; T13-L17 WeakPolarHBondContact O-CB 3.48Å; T13-L17 VanDerWaalsContact O-CG 3.29Å; T13-L17 WeakPolarHBondContact O-CG 3.37Å; T13-L17 PolarHBondContact O-N 2.77Å; R14-L17 PolarHBondContact O-N 3.1Å; L17-N21 WeakPolarHBondContact O-CA 3.46Å; L17-N21 WeakPolarHBondContact O-CB 3.47Å; L17-N21 PolarHBondContact O-N 3.35Å; L17-N21 PolarHBondContact O-ND2 3.03Å; L17-L32 HydrophobicContact CD2-CB 4.1Å; L17-L32 HydrophobicContact CD2-CD2 4.5Å; L17-L32 WeakPolarHBondContact CD2-O 3.37Å; L17-R34 HydrophobicContact CD1-CB 4.45Å; L17-A37 HydrophobicContact CD1-CB 4.39Å; L17-A37 HydrophobicContact CD2-CB 3.63Å; L17-A37 HydrophobicContact CG-CB 3.79Å
18E90Very high86.7Confident127 Ų12768.5 Ų68.559%0.59334%0.343SS*.Hα-helixtrans-59.1-49176.7-77.4169-171.800111.4R14 Q15 K22R14-E18 WeakPolarHBondContact O-CB 3.42Å; R14-E18 WeakPolarHBondContact O-CG 3.5Å; R14-E18 PolarHBondContact O-N 2.91Å; Q15-E18 PolarHBondContact O-N 3.07Å; E18-K22 WeakPolarHBondContact O-CB 3.5Å; E18-K22 PolarHBondContact O-N 2.9Å
19E86.1Confident85.9Confident108 Ų10862.6 Ų62.651%0.50532%0.317SS..Hα-helixtrans-66.8-49.5179.5-72.2-59.8145.200112.4Q15 F16 W23 I52Q15-E19 PolarHBondContact O-N 3.07Å; F16-E19 PolarHBondContact O-N 3.48Å; E19-W23 PolarHBondContact O-N 3.45Å; E19-I52 HydrophobicContact CB-CD1 3.95Å; E19-I52 HydrophobicContact CG-CD1 4.24Å
20I86.4Confident85.2Confident3 Ų363.5 Ų63.52%0.01533%0.329CS..Hα-helixtrans-69.1-39.3-178.3-62.8-56.5000111.1F16 W23 T24 L32 I52 F55F16-I20 HydrophobicContact CD1-CG1 4.18Å; F16-I20 HydrophobicContact CE1-CB 4.43Å; F16-I20 HydrophobicContact CE1-CG1 3.78Å; F16-I20 HydrophobicContact CE2-CG1 4.13Å; F16-I20 HydrophobicContact CZ-CG1 3.75Å; F16-I20 WeakPolarHBondContact O-CB 3.5Å; F16-I20 WeakPolarHBondContact O-CG1 3.42Å; F16-I20 PolarHBondContact O-N 2.86Å; I20-W23 CarbonylContact O-C 3.54Å; I20-W23 WeakPolarHBondContact O-CA 3.38Å; I20-W23 WeakPolarHBondContact O-CB 3.48Å; I20-W23 PolarHBondContact O-N 2.71Å; I20-W23 VanDerWaalsContact O-N 3.13Å; I20-T24 HydrophobicContact CG2-CG2 4.31Å; I20-T24 WeakPolarHBondContact O-CG2 3.47Å; I20-T24 PolarHBondContact O-N 3.31Å; I20-L32 HydrophobicContact CG2-CB 4.32Å; I20-L32 HydrophobicContact CG2-CD2 4.29Å; I20-I52 HydrophobicContact CD1-CG1 4.2Å; I20-I52 HydrophobicContact CD1-CG2 4.16Å; I20-I52 HydrophobicContact CG1-CG1 4.47Å; I20-F55 HydrophobicContact CD1-CD1 3.66Å; I20-F55 HydrophobicContact CD1-CE1 3.93Å; I20-F55 HydrophobicContact CD1-CG 4.37Å; I20-F55 HydrophobicContact CG1-CD1 4.42Å; I20-F55 HydrophobicContact CG2-CE1 3.89Å; I20-F55 HydrophobicContact CG2-CZ 3.87Å
21N88.3Confident84.7Confident37 Ų3765.3 Ų65.320%0.19835%0.345CS..Hα-helixtrans-74.5-28.9-178.3-66.1-15.2000112.5L17 W23 T24 S25 P31 L32L17-N21 WeakPolarHBondContact O-CA 3.46Å; L17-N21 WeakPolarHBondContact O-CB 3.47Å; L17-N21 PolarHBondContact O-N 3.35Å; L17-N21 PolarHBondContact O-ND2 3.03Å; N21-W23 VanDerWaalsContact C-N 3.28Å; N21-W23 PolarHBondContact O-N 2.82Å; N21-T24 VanDerWaalsContact CA-OG1 3.23Å; N21-T24 WeakPolarHBondContact CA-OG1 3.33Å; N21-T24 PolarHBondContact O-N 3.02Å; N21-T24 PolarHBondContact O-OG1 2.95Å; N21-S25 WeakPolarHBondContact O-CB 3.45Å; N21-S25 PolarHBondContact O-N 3.37Å; N21-S25 PolarHBondContact O-OG 2.92Å; N21-S25 VanDerWaalsContact O-OG 3.09Å; N21-P31 HydrophobicContact CB-CB 4.25Å; N21-L32 WeakPolarHBondContact OD1-CB 3.35Å; N21-L32 PolarHBondContact OD1-N 3.48Å
22K80.7Confident84.4Confident126 Ų12660.4 Ų60.455%0.54832%0.323SS..Hα-helixtrans-58.4-45.2166.1-178.8-178.4177.8-173.80110.6E18 Q26E18-K22 WeakPolarHBondContact O-CB 3.5Å; E18-K22 PolarHBondContact O-N 2.9Å; K22-Q26 WeakPolarHBondContact O-CG 3.46Å; K22-Q26 PolarHBondContact O-N 3.36Å
23W78.3Confident84.2Confident34 Ų3462.4 Ų62.413%0.12934%0.336CS..Hα-helixtrans-65.2-42.2175.6177.585.8000112.6E19 I20 N21 S25 Q26 H27 R59 L254 I257E19-W23 PolarHBondContact O-N 3.45Å; I20-W23 CarbonylContact O-C 3.54Å; I20-W23 WeakPolarHBondContact O-CA 3.38Å; I20-W23 WeakPolarHBondContact O-CB 3.48Å; I20-W23 PolarHBondContact O-N 2.71Å; I20-W23 VanDerWaalsContact O-N 3.13Å; N21-W23 VanDerWaalsContact C-N 3.28Å; N21-W23 PolarHBondContact O-N 2.82Å; W23-S25 PolarHBondContact O-N 3.23Å; W23-Q26 PolarHBondContact O-N 3.05Å; W23-H27 AromaticContact CD1-CE1 3.61Å; W23-H27 AromaticContact CD1-ND1 3.85Å; W23-H27 AromaticContact CE2-CE1 3.76Å; W23-H27 AromaticContact CE2-ND1 3.71Å; W23-H27 AromaticContact NE1-CE1 3.22Å; W23-H27 PolarHBondContact NE1-CE1 3.12Å; W23-H27 AromaticContact NE1-ND1 3.59Å; W23-H27 AromaticContact NE1-NE2 3.93Å; W23-H27 PolarHBondContact O-N 3.41Å; W23-H27 PolarHBondContact O-ND1 2.99Å; W23-R59 VanDerWaalsContact CH2-NH2 3.26Å; W23-L254 HydrophobicContact CZ3-CD2 4.16Å; W23-I257 HydrophobicContact CH2-CB 3.79Å; W23-I257 HydrophobicContact CH2-CD1 3.42Å; W23-I257 VanDerWaalsContact CH2-CD1 3.42Å; W23-I257 HydrophobicContact CH2-CG1 4.21Å; W23-I257 HydrophobicContact CH2-CG2 3.75Å; W23-I257 HydrophobicContact CZ2-CB 4.11Å; W23-I257 HydrophobicContact CZ2-CD1 4.23Å; W23-I257 HydrophobicContact CZ2-CG2 3.57Å; W23-I257 HydrophobicContact CZ3-CD1 3.81Å
24T77.3Confident83.9Confident0 Ų066.9 Ų66.90%035%0.352CS..Hα-helixtrans-64.6-41177.260.40000112.3I20 N21 Q26 H27 G28 V29 L254I20-T24 HydrophobicContact CG2-CG2 4.31Å; I20-T24 WeakPolarHBondContact O-CG2 3.47Å; I20-T24 PolarHBondContact O-N 3.31Å; N21-T24 VanDerWaalsContact CA-OG1 3.23Å; N21-T24 WeakPolarHBondContact CA-OG1 3.33Å; N21-T24 PolarHBondContact O-N 3.02Å; N21-T24 PolarHBondContact O-OG1 2.95Å; T24-Q26 VanDerWaalsContact C-N 3.33Å; T24-Q26 PolarHBondContact O-N 2.91Å; T24-H27 CarbonylContact O-C 3.54Å; T24-H27 PolarHBondContact O-N 3.27Å; T24-H27 VanDerWaalsContact O-N 3.11Å; T24-G28 PolarHBondContact O-N 3.33Å; T24-G28 VanDerWaalsContact O-N 3.09Å; T24-V29 HydrophobicContact CG2-CG2 3.88Å; T24-V29 PolarHBondContact O-N 2.93Å; T24-V29 VanDerWaalsContact O-N 3.13Å; T24-L254 HydrophobicContact CG2-CD2 3.55Å
25S77.9Confident83.6Confident89 Ų8965.1 Ų65.162%0.62235%0.351SS*.Hα-helixtrans-62.5-38.5176.9-68.40000112.3N21 W23 H27 G28N21-S25 WeakPolarHBondContact O-CB 3.45Å; N21-S25 PolarHBondContact O-N 3.37Å; N21-S25 PolarHBondContact O-OG 2.92Å; N21-S25 VanDerWaalsContact O-OG 3.09Å; W23-S25 PolarHBondContact O-N 3.23Å; S25-H27 PolarHBondContact O-N 2.9Å; S25-G28 PolarHBondContact O-N 2.89Å
26Q72.8Confident83.4Confident126 Ų12661.7 Ų61.759%0.58934%0.335SS*.Hα-helixtrans-62.1-29.8174.7-73.4169.9-15.600112.9K22 W23 T24K22-Q26 WeakPolarHBondContact O-CG 3.46Å; K22-Q26 PolarHBondContact O-N 3.36Å; W23-Q26 PolarHBondContact O-N 3.05Å; T24-Q26 VanDerWaalsContact C-N 3.33Å; T24-Q26 PolarHBondContact O-N 2.91Å
27H66.3Low83.2Confident55 Ų5561.7 Ų61.726%0.25534%0.335SS..THydrogen-bonded Turntrans-102.39.5-176.8-64.681.6000113.3W23 T24 S25 V29 I257W23-H27 AromaticContact CD1-CE1 3.61Å; W23-H27 AromaticContact CD1-ND1 3.85Å; W23-H27 AromaticContact CE2-CE1 3.76Å; W23-H27 AromaticContact CE2-ND1 3.71Å; W23-H27 AromaticContact NE1-CE1 3.22Å; W23-H27 PolarHBondContact NE1-CE1 3.12Å; W23-H27 AromaticContact NE1-ND1 3.59Å; W23-H27 AromaticContact NE1-NE2 3.93Å; W23-H27 PolarHBondContact O-N 3.41Å; W23-H27 PolarHBondContact O-ND1 2.99Å; T24-H27 CarbonylContact O-C 3.54Å; T24-H27 PolarHBondContact O-N 3.27Å; T24-H27 VanDerWaalsContact O-N 3.11Å; S25-H27 PolarHBondContact O-N 2.9Å; H27-V29 VanDerWaalsContact C-N 3.33Å; H27-V29 PolarHBondContact O-N 3.23Å; H27-I257 HydrophobicContact CB-CD1 3.6Å; H27-I257 HydrophobicContact CB-CG1 4.16Å; H27-I257 HydrophobicContact CB-CG2 3.87Å; H27-I257 WeakPolarHBondContact CD2-CG2 3.39Å
28G71.3Confident83.2Confident73 Ų7360.5 Ų60.575%0.75333%0.33SS*.THydrogen-bonded Turntrans66.827.717400000114.9T24 S25T24-G28 PolarHBondContact O-N 3.33Å; T24-G28 VanDerWaalsContact O-N 3.09Å; S25-G28 PolarHBondContact O-N 2.89Å
29V77.3Confident83.3Confident32 Ų3255.3 Ų55.319%0.19431%0.305CS..  trans-115.3161.2177.5-60.60000112.5T24 H27 L254 I257T24-V29 HydrophobicContact CG2-CG2 3.88Å; T24-V29 PolarHBondContact O-N 2.93Å; T24-V29 VanDerWaalsContact O-N 3.13Å; H27-V29 VanDerWaalsContact C-N 3.33Å; H27-V29 PolarHBondContact O-N 3.23Å; V29-L254 HydrophobicContact CB-CD2 4.46Å; V29-L254 HydrophobicContact CG2-CD2 3.57Å; V29-I257 HydrophobicContact CB-CD1 4.02Å; V29-I257 HydrophobicContact CG1-CD1 3.51Å; V29-I257 HydrophobicContact CG1-CG1 3.92Å; V29-I257 HydrophobicContact CG2-CD1 3.35Å
30S79.3Confident83.6Confident66 Ų6650.1 Ų50.146%0.46228%0.281SS..PPolyproline II helixtrans-55.1139.3-179.9-54.10000112E253S30-E253 PolarHBondContact OG-OE2 2.8Å; S30-E253 VanDerWaalsContact OG-OE2 3.12Å
31P84.6Confident84Confident90 Ų9050 Ų5058%0.58428%0.28SS*.PPolyproline II helixtrans-64.1148.9175.227.4-33.8000111.1N21N21-P31 HydrophobicContact CB-CB 4.25Å
32L88.6Confident84.2Confident12 Ų1248.4 Ų48.46%0.06327%0.272CS..PPolyproline II helixtrans-66.8140.2177.9-155.380.1000111.1F16 L17 I20 N21 L36 A37 F55 L254F16-L32 HydrophobicContact CE1-CD2 3.59Å; F16-L32 HydrophobicContact CZ-CD2 4.4Å; L17-L32 HydrophobicContact CD2-CB 4.1Å; L17-L32 HydrophobicContact CD2-CD2 4.5Å; L17-L32 WeakPolarHBondContact CD2-O 3.37Å; I20-L32 HydrophobicContact CG2-CB 4.32Å; I20-L32 HydrophobicContact CG2-CD2 4.29Å; N21-L32 WeakPolarHBondContact OD1-CB 3.35Å; N21-L32 PolarHBondContact OD1-N 3.48Å; L32-L36 HydrophobicContact CD1-CB 4.45Å; L32-L36 HydrophobicContact CD1-CD2 3.29Å; L32-L36 HydrophobicContact CD1-CG 3.86Å; L32-L36 HydrophobicContact CD2-CB 4.39Å; L32-L36 HydrophobicContact CD2-CG 4.19Å; L32-L36 HydrophobicContact CG-CB 4.13Å; L32-L36 HydrophobicContact CG-CD2 3.87Å; L32-L36 HydrophobicContact CG-CG 4.03Å; L32-A37 HydrophobicContact CD2-CB 4.24Å; L32-F55 HydrophobicContact CD1-CE2 3.93Å; L32-F55 HydrophobicContact CD1-CZ 4.42Å; L32-F55 HydrophobicContact CD2-CE2 4.43Å; L32-L254 HydrophobicContact CD1-CD1 3.36Å
33S89.5Confident84.8Confident50 Ų5042.7 Ų42.735%0.3525%0.248SC..PPolyproline II helixtrans-74.9156.1174.697.40000112E35 L36 A37S33-E35 VanDerWaalsContact C-N 3.31Å; S33-E35 VanDerWaalsContact CB-OE2 3.23Å; S33-E35 WeakPolarHBondContact CB-OE2 3.22Å; S33-E35 PolarHBondContact O-N 3.47Å; S33-E35 PolarHBondContact OG-N 2.81Å; S33-E35 PolarHBondContact OG-OE2 3.07Å; S33-L36 PolarHBondContact O-N 3.23Å; S33-L36 PolarHBondContact OG-N 2.88Å; S33-A37 PolarHBondContact O-N 3.27Å
34R90.6Very high85.5Confident96 Ų9643 Ų4336%0.36225%0.249SC..Hα-helixtrans-61.4-40.2177.1-175.7178.4170.9-78.42.6111.8L5 E10 T13 L17 L36 A37 V38L5-R34 VanDerWaalsContact CD1-NH2 3.26Å; E10-R34 IonicContact OE1-CZ 3.93Å; E10-R34 IonicContact OE1-NH2 3.22Å; E10-R34 PolarHBondContact OE1-NH2 3.13Å; E10-R34 IonicContact OE2-CZ 3.55Å; E10-R34 IonicContact OE2-NE 2.74Å; E10-R34 PolarHBondContact OE2-NE 2.95Å; E10-R34 IonicContact OE2-NH2 3.42Å; E10-R34 PolarHBondContact OE2-NH2 2.79Å; T13-R34 HydrophobicContact CG2-CG 3.94Å; L17-R34 HydrophobicContact CD1-CB 4.45Å; R34-L36 VanDerWaalsContact C-N 3.28Å; R34-L36 PolarHBondContact O-N 2.82Å; R34-A37 PolarHBondContact O-N 2.99Å; R34-V38 HydrophobicContact CG-CG2 4.43Å; R34-V38 VanDerWaalsContact O-CG2 3.28Å; R34-V38 WeakPolarHBondContact O-CG2 3.49Å; R34-V38 PolarHBondContact O-N 2.99Å
35E88.3Confident86.2Confident127 Ų12751.1 Ų51.159%0.59328%0.284SS*.Hα-helixtrans-60.9-41.5-179.7-58.570.4-148.900111.1S33 V38 K39S33-E35 VanDerWaalsContact C-N 3.31Å; S33-E35 VanDerWaalsContact CB-OE2 3.23Å; S33-E35 WeakPolarHBondContact CB-OE2 3.22Å; S33-E35 PolarHBondContact O-N 3.47Å; S33-E35 PolarHBondContact OG-N 2.81Å; S33-E35 PolarHBondContact OG-OE2 3.07Å; E35-V38 PolarHBondContact O-N 3.47Å; E35-K39 PolarHBondContact O-N 2.93Å; E35-K39 VanDerWaalsContact O-N 3.1Å
36L88.9Confident87Confident14 Ų1448.2 Ų48.27%0.07326%0.26CS..Hα-helixtrans-71.3-41.1179.4-172.953.8000111.4L32 S33 R34 V38 K39 F40 P250 V251L32-L36 HydrophobicContact CD1-CB 4.45Å; L32-L36 HydrophobicContact CD1-CD2 3.29Å; L32-L36 HydrophobicContact CD1-CG 3.86Å; L32-L36 HydrophobicContact CD2-CB 4.39Å; L32-L36 HydrophobicContact CD2-CG 4.19Å; L32-L36 HydrophobicContact CG-CB 4.13Å; L32-L36 HydrophobicContact CG-CD2 3.87Å; L32-L36 HydrophobicContact CG-CG 4.03Å; S33-L36 PolarHBondContact O-N 3.23Å; S33-L36 PolarHBondContact OG-N 2.88Å; R34-L36 VanDerWaalsContact C-N 3.28Å; R34-L36 PolarHBondContact O-N 2.82Å; L36-V38 PolarHBondContact O-N 3.19Å; L36-K39 HydrophobicContact CD1-CD 4.31Å; L36-K39 WeakPolarHBondContact O-CB 3.21Å; L36-K39 PolarHBondContact O-N 2.84Å; L36-F40 HydrophobicContact CD1-CD2 4.27Å; L36-F40 HydrophobicContact CD1-CE2 3.61Å; L36-F40 HydrophobicContact CD1-CZ 4.5Å; L36-F40 HydrophobicContact CG-CD2 4.39Å; L36-F40 HydrophobicContact CG-CE2 3.93Å; L36-F40 WeakPolarHBondContact O-CD2 3.34Å; L36-F40 PolarHBondContact O-N 2.95Å; L36-P250 HydrophobicContact CD2-CB 4.39Å; L36-P250 HydrophobicContact CD2-CG 4.18Å; L36-V251 HydrophobicContact CD1-CG2 3.96Å; L36-V251 HydrophobicContact CD2-CG2 3.51Å; L36-V251 HydrophobicContact CG-CG2 4.3Å
37A92.1Very high88Confident0 Ų045.3 Ų45.30%025%0.249CC..Hα-helixtrans-57.3-47.417200000112.2T13 F16 L17 L32 S33 R34 K39 F40 L41T13-A37 HydrophobicContact CG2-CB 4.28Å; F16-A37 HydrophobicContact CD1-CB 3.53Å; F16-A37 HydrophobicContact CE1-CB 3.78Å; L17-A37 HydrophobicContact CD1-CB 4.39Å; L17-A37 HydrophobicContact CD2-CB 3.63Å; L17-A37 HydrophobicContact CG-CB 3.79Å; L32-A37 HydrophobicContact CD2-CB 4.24Å; S33-A37 PolarHBondContact O-N 3.27Å; R34-A37 PolarHBondContact O-N 2.99Å; A37-K39 VanDerWaalsContact C-N 3.29Å; A37-K39 PolarHBondContact O-N 3.32Å; A37-F40 PolarHBondContact O-N 2.96Å; A37-L41 WeakPolarHBondContact O-CG 3.47Å; A37-L41 PolarHBondContact O-N 3.49Å
38V92.3Very high89.2Confident6 Ų643.8 Ų43.84%0.03624%0.243CC..Hα-helixtrans-59.9-39.6178.5171.20000111.3L5 T13 R34 E35 L36 F40 L41 M42 F46L5-V38 HydrophobicContact CD1-CG2 3.79Å; L5-V38 HydrophobicContact CD2-CG1 4.49Å; T13-V38 HydrophobicContact CG2-CG2 3.95Å; R34-V38 HydrophobicContact CG-CG2 4.43Å; R34-V38 VanDerWaalsContact O-CG2 3.28Å; R34-V38 WeakPolarHBondContact O-CG2 3.49Å; R34-V38 PolarHBondContact O-N 2.99Å; E35-V38 PolarHBondContact O-N 3.47Å; L36-V38 PolarHBondContact O-N 3.19Å; V38-F40 PolarHBondContact O-N 3.38Å; V38-L41 PolarHBondContact O-N 3.17Å; V38-M42 HydrophobicContact CG1-CE 3.86Å; V38-M42 HydrophobicContact CG1-CG 4Å; V38-M42 HydrophobicContact CG1-SD 4.41Å; V38-M42 WeakPolarHBondContact O-CB 3.5Å; V38-M42 VanDerWaalsContact O-CG 3.28Å; V38-M42 WeakPolarHBondContact O-CG 3.48Å; V38-M42 PolarHBondContact O-N 2.83Å; V38-F46 HydrophobicContact CG1-CZ 4.4Å
39K91.9Very high90Very high17 Ų1747 Ų477%0.07424%0.243CC..Hα-helixtrans-57.1-45.9175.9174175.9164.8176.10112.3E35 L36 A37 A43 D126 V129 P170E35-K39 PolarHBondContact O-N 2.93Å; E35-K39 VanDerWaalsContact O-N 3.1Å; L36-K39 HydrophobicContact CD1-CD 4.31Å; L36-K39 WeakPolarHBondContact O-CB 3.21Å; L36-K39 PolarHBondContact O-N 2.84Å; A37-K39 VanDerWaalsContact C-N 3.29Å; A37-K39 PolarHBondContact O-N 3.32Å; K39-A43 PolarHBondContact O-N 3.18Å; K39-D126 IonicContact NZ-OD1 2.76Å; K39-D126 PolarHBondContact NZ-OD1 2.78Å; K39-V129 HydrophobicContact CD-CG2 4.35Å; K39-V129 VanDerWaalsContact CE-CG2 3.44Å; K39-P170 HydrophobicContact CD-CG 4.39Å; K39-P170 HydrophobicContact CG-CB 4.13Å; K39-P170 HydrophobicContact CG-CG 4.26Å
40F93.8Very high90.6Very high0 Ų051.4 Ų51.40%026%0.256CS..Hα-helixtrans-68.4-43.4176.9-72.8-75.2000112.6F16 L36 A37 V38 A43 A51 L54 F55 Y58 P170F16-F40 HydrophobicContact CE2-CB 4.29Å; F16-F40 HydrophobicContact CZ-CB 4.02Å; F16-F40 HydrophobicContact CZ-CD2 4.39Å; F16-F40 HydrophobicContact CZ-CG 4.37Å; L36-F40 HydrophobicContact CD1-CD2 4.27Å; L36-F40 HydrophobicContact CD1-CE2 3.61Å; L36-F40 HydrophobicContact CD1-CZ 4.5Å; L36-F40 HydrophobicContact CG-CD2 4.39Å; L36-F40 HydrophobicContact CG-CE2 3.93Å; L36-F40 WeakPolarHBondContact O-CD2 3.34Å; L36-F40 PolarHBondContact O-N 2.95Å; A37-F40 PolarHBondContact O-N 2.96Å; V38-F40 PolarHBondContact O-N 3.38Å; F40-A43 WeakPolarHBondContact O-CB 3.3Å; F40-A43 PolarHBondContact O-N 3.48Å; F40-A51 HydrophobicContact CB-CB 4.48Å; F40-L54 HydrophobicContact CD1-CD2 4.01Å; F40-L54 HydrophobicContact CD1-CG 3.88Å; F40-L54 HydrophobicContact CE1-CG 4.4Å; F40-F55 HydrophobicContact CD1-CB 4.09Å; F40-F55 HydrophobicContact CD2-CD2 4.02Å; F40-F55 HydrophobicContact CE1-CB 4.21Å; F40-F55 HydrophobicContact CE1-CD2 4.25Å; F40-F55 AromaticContact CE2-CD2 3.63Å; F40-F55 HydrophobicContact CE2-CD2 3.63Å; F40-F55 HydrophobicContact CE2-CE2 4.31Å; F40-F55 HydrophobicContact CG-CB 4.34Å; F40-F55 AromaticContact CZ-CD2 3.76Å; F40-F55 HydrophobicContact CZ-CD2 3.76Å; F40-Y58 AromaticContact CE1-CD1 3.95Å; F40-Y58 HydrophobicContact CE1-CD1 3.95Å; F40-Y58 AromaticContact CE1-CG 3.92Å; F40-Y58 HydrophobicContact CE1-CG 3.92Å; F40-Y58 AromaticContact CZ-CD1 3.61Å; F40-Y58 HydrophobicContact CZ-CD1 3.61Å; F40-Y58 HydrophobicContact CZ-CE1 4.02Å; F40-Y58 HydrophobicContact CZ-CG 4.07Å; F40-P170 HydrophobicContact CD1-CB 3.72Å; F40-P170 HydrophobicContact CE1-CB 3.74Å; F40-P170 HydrophobicContact CE1-CG 4.09Å; F40-P170 HydrophobicContact CG-CB 4.42Å; F40-P170 HydrophobicContact CZ-CB 4.45Å; F40-P170 HydrophobicContact CZ-CG 4.46Å
41L94.2Very high91.2Very high0 Ų048.2 Ų48.20%023%0.234CC..Hα-helixtrans-63.9-43.8178.7-75.7162.2000112A12 T13 F16 A37 V38 A43 R44 K45 F46 V48 A51A12-L41 HydrophobicContact CB-CD2 4.47Å; T13-L41 VanDerWaalsContact CA-CD1 3.47Å; T13-L41 HydrophobicContact CG2-CD1 4.39Å; F16-L41 HydrophobicContact CB-CD1 3.9Å; F16-L41 HydrophobicContact CB-CD2 4.22Å; F16-L41 HydrophobicContact CB-CG 4.3Å; F16-L41 HydrophobicContact CD2-CD2 4.3Å; F16-L41 HydrophobicContact CD2-CG 4.32Å; F16-L41 HydrophobicContact CG-CD1 4.19Å; F16-L41 HydrophobicContact CG-CD2 4.46Å; F16-L41 HydrophobicContact CG-CG 4.26Å; A37-L41 WeakPolarHBondContact O-CG 3.47Å; A37-L41 PolarHBondContact O-N 3.49Å; V38-L41 PolarHBondContact O-N 3.17Å; L41-A43 VanDerWaalsContact C-N 3.26Å; L41-A43 PolarHBondContact O-N 3.18Å; L41-R44 CarbonylContact O-C 3.56Å; L41-R44 VanDerWaalsContact O-C 3.25Å; L41-R44 WeakPolarHBondContact O-CA 3.25Å; L41-R44 PolarHBondContact O-N 3.49Å; L41-K45 PolarHBondContact O-N 3.26Å; L41-F46 HydrophobicContact CB-CD1 3.66Å; L41-F46 HydrophobicContact CB-CE1 3.91Å; L41-F46 HydrophobicContact CB-CG 4.14Å; L41-F46 HydrophobicContact CD1-CD1 4.17Å; L41-F46 HydrophobicContact CD1-CE1 4.39Å; L41-F46 HydrophobicContact CD2-CD1 4.47Å; L41-F46 HydrophobicContact CG-CD1 4.33Å; L41-F46 PolarHBondContact O-N 3.23Å; L41-V48 HydrophobicContact CD2-CG2 4.25Å; L41-A51 HydrophobicContact CD2-CB 3.72Å; L41-A51 HydrophobicContact CG-CB 4.11Å
42M92.8Very high91.3Very high4 Ų445.4 Ų45.42%0.0221%0.214CC..Hα-helixtrans-58.7-38.1176.2-79-151.7174.700112.8L5 V38 R44 K45 F46 F132 Q135 R136 R172L5-M42 HydrophobicContact CD2-CE 4.33Å; V38-M42 HydrophobicContact CG1-CE 3.86Å; V38-M42 HydrophobicContact CG1-CG 4Å; V38-M42 HydrophobicContact CG1-SD 4.41Å; V38-M42 WeakPolarHBondContact O-CB 3.5Å; V38-M42 VanDerWaalsContact O-CG 3.28Å; V38-M42 WeakPolarHBondContact O-CG 3.48Å; V38-M42 PolarHBondContact O-N 2.83Å; M42-R44 PolarHBondContact O-N 3.03Å; M42-R44 VanDerWaalsContact O-N 3.14Å; M42-K45 PolarHBondContact O-N 2.89Å; M42-F46 HydrophobicContact CE-CE2 4.46Å; M42-F46 HydrophobicContact CE-CZ 4.29Å; M42-F46 HydrophobicContact CG-CE2 3.87Å; M42-F46 HydrophobicContact CG-CZ 3.95Å; M42-F132 HydrophobicContact CE-CD2 3.88Å; M42-F132 HydrophobicContact CE-CE1 3.88Å; M42-F132 HydrophobicContact CE-CE2 3.16Å; M42-F132 HydrophobicContact CE-CZ 3.17Å; M42-F132 HydrophobicContact SD-CE2 4.36Å; M42-Q135 HydrophobicContact CB-CB 4.19Å; M42-Q135 HydrophobicContact CG-CB 4.42Å; M42-Q135 HydrophobicContact SD-CB 3.47Å; M42-Q135 WeakPolarHBondContact SD-CB 3.33Å; M42-R136 HydrophobicContact SD-CB 4.32Å; M42-R172 PolarHBondContact O-NE 3.36Å; M42-R172 PolarHBondContact O-NH2 2.88Å
43A92.6Very high91.3Very high6 Ų650.4 Ų50.45%0.0524%0.236CC..THydrogen-bonded Turntrans-64.1-16.9176.500000112.9K39 F40 L41 L54 P170K39-A43 PolarHBondContact O-N 3.18Å; F40-A43 WeakPolarHBondContact O-CB 3.3Å; F40-A43 PolarHBondContact O-N 3.48Å; L41-A43 VanDerWaalsContact C-N 3.26Å; L41-A43 PolarHBondContact O-N 3.18Å; A43-L54 HydrophobicContact CB-CD2 3.57Å; A43-P170 HydrophobicContact CB-CB 4.45Å
44R93.6Very high91.4Very high40 Ų4048 Ų4815%0.15122%0.22CC..THydrogen-bonded Turntrans-123.618.4-178.9-63.3-64.3179.9-98.80.7113.9L41 M42 F46 D47 R50 A51 L54L41-R44 CarbonylContact O-C 3.56Å; L41-R44 VanDerWaalsContact O-C 3.25Å; L41-R44 WeakPolarHBondContact O-CA 3.25Å; L41-R44 PolarHBondContact O-N 3.49Å; M42-R44 PolarHBondContact O-N 3.03Å; M42-R44 VanDerWaalsContact O-N 3.14Å; R44-F46 PolarHBondContact O-N 3.43Å; R44-D47 HydrophobicContact CB-CB 4.44Å; R44-D47 VanDerWaalsContact O-CB 3.29Å; R44-D47 WeakPolarHBondContact O-CB 3.45Å; R44-D47 PolarHBondContact O-N 2.92Å; R44-R50 HydrophobicContact CB-CB 4.17Å; R44-R50 HydrophobicContact CG-CB 4.06Å; R44-A51 HydrophobicContact CB-CB 4.34Å; R44-A51 HydrophobicContact CG-CB 4.49Å; R44-L54 HydrophobicContact CG-CB 4.44Å; R44-L54 HydrophobicContact CG-CD2 3.94Å
45K92.6Very high91.4Very high170 Ų17043.5 Ų43.574%0.73920%0.203SC*.THydrogen-bonded Turntrans54.340.7-179.7-53.6-177.7175.7-170.10112.3L41 M42 D47L41-K45 PolarHBondContact O-N 3.26Å; M42-K45 PolarHBondContact O-N 2.89Å; K45-D47 PolarHBondContact O-N 3.45Å
46F94.3Very high91.2Very high28 Ų2839.8 Ų39.812%0.12319%0.185CC..THydrogen-bonded Turntrans6118.7-178.3-67.3-96.6000115.5L5 E9 A12 V38 L41 M42 R44 V48L5-F46 HydrophobicContact CD1-CE1 4.17Å; L5-F46 HydrophobicContact CD1-CZ 4.41Å; L5-F46 HydrophobicContact CD2-CE1 4.25Å; L5-F46 HydrophobicContact CD2-CZ 3.68Å; E9-F46 HydrophobicContact CB-CD1 3.72Å; E9-F46 HydrophobicContact CB-CD2 4.36Å; E9-F46 HydrophobicContact CB-CE1 3.63Å; E9-F46 HydrophobicContact CB-CE2 4.27Å; E9-F46 HydrophobicContact CB-CG 4.11Å; E9-F46 HydrophobicContact CB-CZ 3.92Å; E9-F46 HydrophobicContact CG-CB 4.35Å; E9-F46 HydrophobicContact CG-CD1 3.83Å; E9-F46 HydrophobicContact CG-CD2 3.6Å; E9-F46 HydrophobicContact CG-CE1 3.95Å; E9-F46 HydrophobicContact CG-CE2 3.71Å; E9-F46 HydrophobicContact CG-CG 3.66Å; E9-F46 HydrophobicContact CG-CZ 3.89Å; E9-F46 WeakPolarHBondContact OE1-CD2 3.36Å; E9-F46 WeakPolarHBondContact OE1-CE2 3.4Å; A12-F46 HydrophobicContact CB-CB 4.15Å; A12-F46 HydrophobicContact CB-CD1 4.22Å; V38-F46 HydrophobicContact CG1-CZ 4.4Å; L41-F46 HydrophobicContact CB-CD1 3.66Å; L41-F46 HydrophobicContact CB-CE1 3.91Å; L41-F46 HydrophobicContact CB-CG 4.14Å; L41-F46 HydrophobicContact CD1-CD1 4.17Å; L41-F46 HydrophobicContact CD1-CE1 4.39Å; L41-F46 HydrophobicContact CD2-CD1 4.47Å; L41-F46 HydrophobicContact CG-CD1 4.33Å; L41-F46 PolarHBondContact O-N 3.23Å; M42-F46 HydrophobicContact CE-CE2 4.46Å; M42-F46 HydrophobicContact CE-CZ 4.29Å; M42-F46 HydrophobicContact CG-CE2 3.87Å; M42-F46 HydrophobicContact CG-CZ 3.95Å; R44-F46 PolarHBondContact O-N 3.43Å; F46-V48 PolarHBondContact O-N 3.45Å
47D93.9Very high91.1Very high65 Ų6541.6 Ų41.635%0.34820%0.195SC..  trans-70.9107.2164.5-175.4-48.2000109.5R44 K45 L49 R50 A51R44-D47 HydrophobicContact CB-CB 4.44Å; R44-D47 VanDerWaalsContact O-CB 3.29Å; R44-D47 WeakPolarHBondContact O-CB 3.45Å; R44-D47 PolarHBondContact O-N 2.92Å; K45-D47 PolarHBondContact O-N 3.45Å; D47-L49 PolarHBondContact OD1-N 3.26Å; D47-R50 HydrophobicContact CB-CB 4.18Å; D47-R50 HydrophobicContact CB-CG 4.46Å; D47-R50 WeakPolarHBondContact OD1-CB 3.41Å; D47-R50 WeakPolarHBondContact OD1-CG 3.4Å; D47-R50 PolarHBondContact OD1-N 3.48Å; D47-R50 WeakPolarHBondContact OD2-CD 3.05Å; D47-A51 VanDerWaalsContact O-CB 3.26Å; D47-A51 WeakPolarHBondContact O-CB 3.18Å; D47-A51 PolarHBondContact O-N 3.25Å
48V91Very high91Very high23 Ų2341.6 Ų41.614%0.13920%0.195CC..Hα-helixtrans-61.1-49.1-172.7178.30000111.6A12 Q15 F16 L41 F46 R50 A51 I52A12-V48 HydrophobicContact CB-CG2 3.74Å; Q15-V48 HydrophobicContact CB-CG1 4.24Å; Q15-V48 HydrophobicContact CB-CG2 4.26Å; F16-V48 HydrophobicContact CB-CG1 4.25Å; L41-V48 HydrophobicContact CD2-CG2 4.25Å; F46-V48 PolarHBondContact O-N 3.45Å; V48-R50 PolarHBondContact O-N 2.94Å; V48-A51 WeakPolarHBondContact O-CB 3.37Å; V48-A51 PolarHBondContact O-N 2.78Å; V48-I52 HydrophobicContact CG1-CD1 3.95Å; V48-I52 WeakPolarHBondContact O-CG1 3.4Å; V48-I52 PolarHBondContact O-N 3.14Å
49L87.7Confident90.7Very high140 Ų14041.5 Ų41.573%0.73319%0.194SC*.Hα-helixtrans-62.8-45.4-177.1-67.3176.9000111.4D47 A51 I52 E53D47-L49 PolarHBondContact OD1-N 3.26Å; L49-A51 VanDerWaalsContact C-N 3.28Å; L49-A51 PolarHBondContact O-N 3.11Å; L49-I52 PolarHBondContact O-N 2.86Å; L49-E53 PolarHBondContact O-N 3.42Å
50R89.4Confident90.2Very high125 Ų12545.3 Ų45.347%0.47221%0.212SC..Hα-helixtrans-70.1-27.7178.7-65.7178.564.8-156.7-5112.6R44 D47 V48 L54R44-R50 HydrophobicContact CB-CB 4.17Å; R44-R50 HydrophobicContact CG-CB 4.06Å; D47-R50 HydrophobicContact CB-CB 4.18Å; D47-R50 HydrophobicContact CB-CG 4.46Å; D47-R50 WeakPolarHBondContact OD1-CB 3.41Å; D47-R50 WeakPolarHBondContact OD1-CG 3.4Å; D47-R50 PolarHBondContact OD1-N 3.48Å; D47-R50 WeakPolarHBondContact OD2-CD 3.05Å; V48-R50 PolarHBondContact O-N 2.94Å; R50-L54 VanDerWaalsContact O-CB 3.31Å; R50-L54 WeakPolarHBondContact O-CB 3.38Å; R50-L54 PolarHBondContact O-N 3.25Å
51A93Very high89.8Confident0 Ų046.6 Ų46.60%022%0.22CC..Hα-helixtrans-70.5-40.7173.200000111.2F16 F40 L41 R44 D47 V48 L49 L54 F55F16-A51 HydrophobicContact CD2-CB 3.85Å; F16-A51 HydrophobicContact CE2-CB 3.81Å; F40-A51 HydrophobicContact CB-CB 4.48Å; L41-A51 HydrophobicContact CD2-CB 3.72Å; L41-A51 HydrophobicContact CG-CB 4.11Å; R44-A51 HydrophobicContact CB-CB 4.34Å; R44-A51 HydrophobicContact CG-CB 4.49Å; D47-A51 VanDerWaalsContact O-CB 3.26Å; D47-A51 WeakPolarHBondContact O-CB 3.18Å; D47-A51 PolarHBondContact O-N 3.25Å; V48-A51 WeakPolarHBondContact O-CB 3.37Å; V48-A51 PolarHBondContact O-N 2.78Å; L49-A51 VanDerWaalsContact C-N 3.28Å; L49-A51 PolarHBondContact O-N 3.11Å; A51-L54 PolarHBondContact O-N 3.27Å; A51-F55 PolarHBondContact O-N 3Å
52I86.9Confident89.4Confident31 Ų3146.7 Ų46.716%0.15922%0.22CC..Hα-helixtrans-61.5-48.2174.4-69.5168.7000110F16 E19 I20 V48 L49 L54 F55 H56F16-I52 HydrophobicContact CD2-CG1 3.7Å; F16-I52 HydrophobicContact CE2-CG1 3.84Å; E19-I52 HydrophobicContact CB-CD1 3.95Å; E19-I52 HydrophobicContact CG-CD1 4.24Å; I20-I52 HydrophobicContact CD1-CG1 4.2Å; I20-I52 HydrophobicContact CD1-CG2 4.16Å; I20-I52 HydrophobicContact CG1-CG1 4.47Å; V48-I52 HydrophobicContact CG1-CD1 3.95Å; V48-I52 WeakPolarHBondContact O-CG1 3.4Å; V48-I52 PolarHBondContact O-N 3.14Å; L49-I52 PolarHBondContact O-N 2.86Å; I52-L54 VanDerWaalsContact C-N 3.32Å; I52-L54 PolarHBondContact O-N 3.41Å; I52-F55 WeakPolarHBondContact O-CB 3.47Å; I52-F55 PolarHBondContact O-N 2.6Å; I52-F55 VanDerWaalsContact O-N 3.09Å; I52-H56 PolarHBondContact O-CD2 3.4Å; I52-H56 VanDerWaalsContact O-CD2 3.24Å; I52-H56 PolarHBondContact O-N 2.82Å
53E87.2Confident88.9Confident116 Ų11651 Ų5154%0.54224%0.243SC..Hα-helixtrans-56.6-46175.6-170.8-164.7173.600111.5L49 F55 H56 N57L49-E53 PolarHBondContact O-N 3.42Å; E53-F55 VanDerWaalsContact C-N 3.34Å; E53-F55 PolarHBondContact O-N 2.86Å; E53-H56 PolarHBondContact O-N 3.46Å; E53-N57 WeakPolarHBondContact O-CB 3.5Å; E53-N57 VanDerWaalsContact O-CG 3.23Å; E53-N57 PolarHBondContact O-N 2.9Å; E53-N57 PolarHBondContact O-ND2 3.05Å
54L91.6Very high88.3Confident1 Ų157.4 Ų57.41%0.00527%0.27CS..Hα-helixtrans-61.5-40175.7167.365.2000112.2F40 A43 R44 R50 A51 I52 N57 Y58 G167 P170F40-L54 HydrophobicContact CD1-CD2 4.01Å; F40-L54 HydrophobicContact CD1-CG 3.88Å; F40-L54 HydrophobicContact CE1-CG 4.4Å; A43-L54 HydrophobicContact CB-CD2 3.57Å; R44-L54 HydrophobicContact CG-CB 4.44Å; R44-L54 HydrophobicContact CG-CD2 3.94Å; R50-L54 VanDerWaalsContact O-CB 3.31Å; R50-L54 WeakPolarHBondContact O-CB 3.38Å; R50-L54 PolarHBondContact O-N 3.25Å; A51-L54 PolarHBondContact O-N 3.27Å; I52-L54 VanDerWaalsContact C-N 3.32Å; I52-L54 PolarHBondContact O-N 3.41Å; L54-N57 PolarHBondContact O-N 2.93Å; L54-Y58 WeakPolarHBondContact O-CB 3.29Å; L54-Y58 PolarHBondContact O-N 3.05Å; L54-G167 WeakPolarHBondContact CD1-O 3.27Å; L54-P170 HydrophobicContact CD2-CB 4.24Å
55F90.8Very high87.7Confident0 Ų056.9 Ų56.90%027%0.269CS..Hα-helixtrans-61.3-46.6177.6170.2-97.2000111.6F16 I20 L32 F40 A51 I52 E53 Y58 R59 L254F16-F55 HydrophobicContact CE2-CB 4.45Å; F16-F55 HydrophobicContact CZ-CB 4.11Å; F16-F55 HydrophobicContact CZ-CG 4.38Å; I20-F55 HydrophobicContact CD1-CD1 3.66Å; I20-F55 HydrophobicContact CD1-CE1 3.93Å; I20-F55 HydrophobicContact CD1-CG 4.37Å; I20-F55 HydrophobicContact CG1-CD1 4.42Å; I20-F55 HydrophobicContact CG2-CE1 3.89Å; I20-F55 HydrophobicContact CG2-CZ 3.87Å; L32-F55 HydrophobicContact CD1-CE2 3.93Å; L32-F55 HydrophobicContact CD1-CZ 4.42Å; L32-F55 HydrophobicContact CD2-CE2 4.43Å; F40-F55 HydrophobicContact CD1-CB 4.09Å; F40-F55 HydrophobicContact CD2-CD2 4.02Å; F40-F55 HydrophobicContact CE1-CB 4.21Å; F40-F55 HydrophobicContact CE1-CD2 4.25Å; F40-F55 AromaticContact CE2-CD2 3.63Å; F40-F55 HydrophobicContact CE2-CD2 3.63Å; F40-F55 HydrophobicContact CE2-CE2 4.31Å; F40-F55 HydrophobicContact CG-CB 4.34Å; F40-F55 AromaticContact CZ-CD2 3.76Å; F40-F55 HydrophobicContact CZ-CD2 3.76Å; A51-F55 PolarHBondContact O-N 3Å; I52-F55 WeakPolarHBondContact O-CB 3.47Å; I52-F55 PolarHBondContact O-N 2.6Å; I52-F55 VanDerWaalsContact O-N 3.09Å; E53-F55 VanDerWaalsContact C-N 3.34Å; E53-F55 PolarHBondContact O-N 2.86Å; F55-Y58 PolarHBondContact O-N 3.35Å; F55-R59 VanDerWaalsContact CE1-CD 3.45Å; F55-R59 HydrophobicContact CE2-CG 4.49Å; F55-R59 VanDerWaalsContact CZ-CD 3.41Å; F55-R59 HydrophobicContact CZ-CG 4.34Å; F55-R59 WeakPolarHBondContact O-CG 3.24Å; F55-R59 PolarHBondContact O-N 3.2Å; F55-L254 HydrophobicContact CE2-CD1 4.19Å; F55-L254 HydrophobicContact CZ-CD1 4.05Å
56H85.2Confident87.1Confident49 Ų4950.5 Ų50.523%0.22725%0.252CS..Hα-helixtrans-65.6-45.4176.5-72.1-72.7000112.1I52 E53 Y58 R59 E60I52-H56 PolarHBondContact O-CD2 3.4Å; I52-H56 VanDerWaalsContact O-CD2 3.24Å; I52-H56 PolarHBondContact O-N 2.82Å; E53-H56 PolarHBondContact O-N 3.46Å; H56-Y58 VanDerWaalsContact C-N 3.29Å; H56-Y58 PolarHBondContact O-N 2.98Å; H56-R59 PolarHBondContact O-N 2.98Å; H56-E60 PolarHBondContact O-N 3.31Å
57N86.5Confident86.7Confident52 Ų5249.2 Ų49.228%0.27825%0.246SC..Hα-helixtrans-61-37.5176.7-72.4-23.8000112.5E53 L54 T61E53-N57 WeakPolarHBondContact O-CB 3.5Å; E53-N57 VanDerWaalsContact O-CG 3.23Å; E53-N57 PolarHBondContact O-N 2.9Å; E53-N57 PolarHBondContact O-ND2 3.05Å; L54-N57 PolarHBondContact O-N 2.93Å; N57-T61 VanDerWaalsContact O-CB 3.31Å; N57-T61 WeakPolarHBondContact O-CB 3.17Å; N57-T61 PolarHBondContact O-N 3.16Å; N57-T61 PolarHBondContact O-OG1 2.88Å
58Y89.7Confident86.1Confident1 Ų148.2 Ų48.20%0.00424%0.242CC..Hα-helixtrans-63.3-48174.9178.4-104000111.3F40 L54 F55 H56 T61 R62 F122 D126 A168 F169 P170 V251F40-Y58 AromaticContact CE1-CD1 3.95Å; F40-Y58 HydrophobicContact CE1-CD1 3.95Å; F40-Y58 AromaticContact CE1-CG 3.92Å; F40-Y58 HydrophobicContact CE1-CG 3.92Å; F40-Y58 AromaticContact CZ-CD1 3.61Å; F40-Y58 HydrophobicContact CZ-CD1 3.61Å; F40-Y58 HydrophobicContact CZ-CE1 4.02Å; F40-Y58 HydrophobicContact CZ-CG 4.07Å; L54-Y58 WeakPolarHBondContact O-CB 3.29Å; L54-Y58 PolarHBondContact O-N 3.05Å; F55-Y58 PolarHBondContact O-N 3.35Å; H56-Y58 VanDerWaalsContact C-N 3.29Å; H56-Y58 PolarHBondContact O-N 2.98Å; Y58-T61 PolarHBondContact O-N 2.86Å; Y58-R62 WeakPolarHBondContact O-CG 3.42Å; Y58-R62 PolarHBondContact O-N 2.93Å; Y58-R62 PolarHBondContact OH-NH1 2.77Å; Y58-F122 HydrophobicContact CD2-CE2 4.33Å; Y58-F122 HydrophobicContact CD2-CZ 4.08Å; Y58-F122 HydrophobicContact CE1-CZ 4.49Å; Y58-F122 HydrophobicContact CE2-CE1 4.14Å; Y58-F122 AromaticContact CE2-CE2 3.76Å; Y58-F122 HydrophobicContact CE2-CE2 3.76Å; Y58-F122 AromaticContact CE2-CZ 3.2Å; Y58-F122 HydrophobicContact CE2-CZ 3.2Å; Y58-F122 AromaticContact CZ-CZ 3.45Å; Y58-F122 VanDerWaalsContact CZ-CZ 3.45Å; Y58-F122 WeakPolarHBondContact OH-CE1 3.43Å; Y58-F122 VanDerWaalsContact OH-CZ 3.31Å; Y58-F122 WeakPolarHBondContact OH-CZ 3.47Å; Y58-D126 PolarHBondContact OH-OD1 3.39Å; Y58-A168 VanDerWaalsContact CD2-O 3.3Å; Y58-A168 WeakPolarHBondContact CD2-O 3.32Å; Y58-F169 HydrophobicContact CD2-CD2 4.5Å; Y58-F169 AromaticContact CE2-CD2 3.99Å; Y58-F169 HydrophobicContact CE2-CD2 3.99Å; Y58-F169 HydrophobicContact CE2-CE2 4.18Å; Y58-P170 HydrophobicContact CD2-CG 4.17Å; Y58-P170 HydrophobicContact CE2-CG 3.94Å; Y58-V251 HydrophobicContact CD1-CG1 4.18Å; Y58-V251 HydrophobicContact CE1-CB 4.46Å; Y58-V251 HydrophobicContact CE1-CG1 3.85Å; Y58-V251 HydrophobicContact CE1-CG2 4.32Å
59R86.9Confident85.6Confident4 Ų456.1 Ų56.12%0.01527%0.269CS..Hα-helixtrans-60.8-48.3176.5-75.8177.857.1-121.4-12.6112.2W23 F55 H56 T61 R62 L63 V251 L254 V255 I257W23-R59 VanDerWaalsContact CH2-NH2 3.26Å; F55-R59 VanDerWaalsContact CE1-CD 3.45Å; F55-R59 HydrophobicContact CE2-CG 4.49Å; F55-R59 VanDerWaalsContact CZ-CD 3.41Å; F55-R59 HydrophobicContact CZ-CG 4.34Å; F55-R59 WeakPolarHBondContact O-CG 3.24Å; F55-R59 PolarHBondContact O-N 3.2Å; H56-R59 PolarHBondContact O-N 2.98Å; R59-T61 VanDerWaalsContact C-N 3.34Å; R59-T61 PolarHBondContact O-N 2.77Å; R59-R62 PolarHBondContact O-N 2.81Å; R59-L63 PolarHBondContact O-N 3Å; R59-V251 HydrophobicContact CG-CG1 4.3Å; R59-L254 PolarHBondContact NE-O 3Å; R59-L254 PolarHBondContact NH2-O 2.98Å; R59-V255 HydrophobicContact CB-CG2 4.47Å; R59-V255 HydrophobicContact CG-CG2 4.31Å; R59-I257 PolarHBondContact NH2-O 3.35Å
60E81.3Confident85.4Confident97 Ų9751.1 Ų51.145%0.45324%0.243SC..Hα-helixtrans-60.6-44.6179.6-171-170.1159.500111.3H56 R62 L63 K64 L259H56-E60 PolarHBondContact O-N 3.31Å; E60-R62 VanDerWaalsContact C-N 3.33Å; E60-R62 PolarHBondContact O-N 3.19Å; E60-L63 PolarHBondContact O-N 3.42Å; E60-K64 VanDerWaalsContact O-CB 3.22Å; E60-K64 WeakPolarHBondContact O-CB 3.5Å; E60-K64 PolarHBondContact O-N 2.93Å; E60-L259 HydrophobicContact CB-CD1 4.21Å; E60-L259 HydrophobicContact CG-CD1 4.3Å
61T83.7Confident85.2Confident26 Ų2650.4 Ų50.416%0.1625%0.245CC..Hα-helixtrans-65-39.6179.3-58.70000111.3N57 Y58 R59 E65 L164 A168N57-T61 VanDerWaalsContact O-CB 3.31Å; N57-T61 WeakPolarHBondContact O-CB 3.17Å; N57-T61 PolarHBondContact O-N 3.16Å; N57-T61 PolarHBondContact O-OG1 2.88Å; Y58-T61 PolarHBondContact O-N 2.86Å; R59-T61 VanDerWaalsContact C-N 3.34Å; R59-T61 PolarHBondContact O-N 2.77Å; T61-E65 HydrophobicContact CG2-CG 4.21Å; T61-E65 VanDerWaalsContact O-CB 3.32Å; T61-E65 WeakPolarHBondContact O-CB 3.29Å; T61-E65 WeakPolarHBondContact O-CG 3.41Å; T61-E65 PolarHBondContact O-N 2.86Å; T61-L164 HydrophobicContact CG2-CD2 3.54Å; T61-L164 HydrophobicContact CG2-CG 4.27Å; T61-A168 HydrophobicContact CG2-CB 4.25Å; T61-A168 VanDerWaalsContact OG1-CB 3.22Å; T61-A168 WeakPolarHBondContact OG1-CB 3.2Å
62R86.4Confident85Confident3 Ų351.1 Ų51.11%0.01125%0.25CC..Hα-helixtrans-61.4-46.1174.1-77-177.171.4153.94.3112.3Y58 R59 E60 G66 I67 F122 D249 D252 V255Y58-R62 WeakPolarHBondContact O-CG 3.42Å; Y58-R62 PolarHBondContact O-N 2.93Å; Y58-R62 PolarHBondContact OH-NH1 2.77Å; R59-R62 PolarHBondContact O-N 2.81Å; E60-R62 VanDerWaalsContact C-N 3.33Å; E60-R62 PolarHBondContact O-N 3.19Å; R62-G66 PolarHBondContact O-N 3.45Å; R62-G66 VanDerWaalsContact O-N 3.15Å; R62-I67 HydrophobicContact CB-CB 4.23Å; R62-I67 WeakPolarHBondContact CB-O 3.33Å; R62-I67 HydrophobicContact CG-CB 4.16Å; R62-I67 HydrophobicContact CG-CG2 4.24Å; R62-I67 PolarHBondContact NE-O 2.93Å; R62-I67 PolarHBondContact NH2-O 2.95Å; R62-I67 PolarHBondContact O-N 3.19Å; R62-F122 HydrophobicContact CG-CE1 4.17Å; R62-F122 HydrophobicContact CG-CE2 3.97Å; R62-F122 HydrophobicContact CG-CZ 3.44Å; R62-F122 VanDerWaalsContact CG-CZ 3.44Å; R62-D249 IonicContact CZ-OD2 3.83Å; R62-D249 IonicContact NH1-OD1 2.7Å; R62-D249 IonicContact NH1-OD2 2.85Å; R62-D249 PolarHBondContact NH1-OD2 3.46Å; R62-D249 IonicContact NH2-OD2 2.69Å; R62-D249 PolarHBondContact NH2-OD2 3.06Å; R62-D252 IonicContact CZ-OD1 3.64Å; R62-D252 IonicContact NH2-OD1 2.93Å; R62-D252 PolarHBondContact NH2-OD1 3.03Å; R62-V255 HydrophobicContact CB-CG1 4.04Å; R62-V255 HydrophobicContact CB-CG2 3.92Å
63L81.8Confident85Confident95 Ų9553.1 Ų53.150%0.49726%0.259SS..Hα-helixtrans-62.1-50.8178.4-175.361.3000111.2R59 E60 E65 G66 V255R59-L63 PolarHBondContact O-N 3Å; E60-L63 PolarHBondContact O-N 3.42Å; L63-E65 VanDerWaalsContact C-N 3.29Å; L63-E65 PolarHBondContact O-N 3.28Å; L63-G66 PolarHBondContact O-N 3.42Å; L63-V255 HydrophobicContact CB-CG1 3.71Å; L63-V255 HydrophobicContact CD1-CG1 4.19Å
64K81Confident85.1Confident140 Ų14052.5 Ų52.561%0.60926%0.255SS*.Hα-helixtrans-60.4-37.9-177179.3178.9175.3176.50112.9E60E60-K64 VanDerWaalsContact O-CB 3.22Å; E60-K64 WeakPolarHBondContact O-CB 3.5Å; E60-K64 PolarHBondContact O-N 2.93Å
65E81.6Confident84.9Confident29 Ų2958.1 Ų58.114%0.13628%0.282CS..THydrogen-bonded Turntrans-97.66.6-175.3-58.3-61.115800113.2T61 L63 I67 L118 K160T61-E65 HydrophobicContact CG2-CG 4.21Å; T61-E65 VanDerWaalsContact O-CB 3.32Å; T61-E65 WeakPolarHBondContact O-CB 3.29Å; T61-E65 WeakPolarHBondContact O-CG 3.41Å; T61-E65 PolarHBondContact O-N 2.86Å; L63-E65 VanDerWaalsContact C-N 3.29Å; L63-E65 PolarHBondContact O-N 3.28Å; E65-I67 VanDerWaalsContact C-N 3.33Å; E65-I67 HydrophobicContact CB-CD1 3.92Å; E65-I67 HydrophobicContact CB-CG1 3.96Å; E65-I67 PolarHBondContact O-N 2.72Å; E65-L118 HydrophobicContact CB-CD2 3.82Å; E65-L118 HydrophobicContact CG-CD2 3.81Å; E65-K160 WeakPolarHBondContact OE2-CD 3.47Å; E65-K160 VanDerWaalsContact OE2-CE 3.24Å; E65-K160 WeakPolarHBondContact OE2-CE 3.35Å; E65-K160 IonicContact OE2-NZ 3.75Å; E65-K160 PolarHBondContact OE2-NZ 2.72Å
66G78.9Confident85Confident36 Ų3661.5 Ų61.537%0.37130%0.304SS..THydrogen-bonded Turntrans67.630.7178.400000113.7R62 L63 V68 Q119R62-G66 PolarHBondContact O-N 3.45Å; R62-G66 VanDerWaalsContact O-N 3.15Å; L63-G66 PolarHBondContact O-N 3.42Å; G66-V68 VanDerWaalsContact C-N 3.31Å; G66-V68 PolarHBondContact O-N 3.06Å; G66-Q119 PolarHBondContact O-NE2 3.37Å
67I85.8Confident85.2Confident0 Ų059.6 Ų59.60%030%0.295CS..  trans-95.464.4-179.9-49.9175.1000108.4R62 E65 L70 L118 Q119 F122R62-I67 HydrophobicContact CB-CB 4.23Å; R62-I67 WeakPolarHBondContact CB-O 3.33Å; R62-I67 HydrophobicContact CG-CB 4.16Å; R62-I67 HydrophobicContact CG-CG2 4.24Å; R62-I67 PolarHBondContact NE-O 2.93Å; R62-I67 PolarHBondContact NH2-O 2.95Å; R62-I67 PolarHBondContact O-N 3.19Å; E65-I67 VanDerWaalsContact C-N 3.33Å; E65-I67 HydrophobicContact CB-CD1 3.92Å; E65-I67 HydrophobicContact CB-CG1 3.96Å; E65-I67 PolarHBondContact O-N 2.72Å; I67-L70 HydrophobicContact CG2-CD1 3.87Å; I67-L70 HydrophobicContact CG2-CG 4.34Å; I67-L118 HydrophobicContact CD1-CG 4.43Å; I67-Q119 HydrophobicContact CG1-CG 4.25Å; I67-F122 HydrophobicContact CD1-CB 3.92Å; I67-F122 HydrophobicContact CD1-CD2 3.57Å; I67-F122 HydrophobicContact CD1-CE2 4.11Å; I67-F122 HydrophobicContact CD1-CG 3.77Å; I67-F122 HydrophobicContact CG2-CB 4.19Å; I67-F122 HydrophobicContact CG2-CD1 3.37Å; I67-F122 HydrophobicContact CG2-CD2 4.22Å; I67-F122 HydrophobicContact CG2-CE1 3.62Å; I67-F122 HydrophobicContact CG2-CE2 4.41Å; I67-F122 HydrophobicContact CG2-CG 3.68Å; I67-F122 HydrophobicContact CG2-CZ 4.11Å
68V81.1Confident85.5Confident45 Ų4562.3 Ų62.327%0.27330%0.302SS..SBendtrans-137.4131.8-174.6-171.40000108.2G66 L70 D252 V255G66-V68 VanDerWaalsContact C-N 3.31Å; G66-V68 PolarHBondContact O-N 3.06Å; V68-L70 VanDerWaalsContact C-N 3.28Å; V68-L70 PolarHBondContact O-N 3.27Å; V68-D252 WeakPolarHBondContact CA-OD1 3.33Å; V68-V255 HydrophobicContact CG2-CB 4.33Å; V68-V255 HydrophobicContact CG2-CG1 3.5Å
69R80.6Confident85.6Confident188 Ų18865 Ų6571%0.70932%0.321SS*.SBendtrans51.347.3179.6-63.4174.8-176.3-176.60.3112.5Q71 D252R69-Q71 PolarHBondContact O-N 2.93Å; R69-D252 WeakPolarHBondContact CA-OD2 3.32Å; R69-D252 HydrophobicContact CG-CB 4.17Å; R69-D252 PolarHBondContact N-OD1 2.85Å; R69-D252 PolarHBondContact N-OD2 2.79Å
70L84.6Confident85.9Confident36 Ų3665.3 Ų65.319%0.18832%0.322CS..  trans-60.4133.2-180-64-176.3000110.6I67 V68 P72 L77 Q119 Y123I67-L70 HydrophobicContact CG2-CD1 3.87Å; I67-L70 HydrophobicContact CG2-CG 4.34Å; V68-L70 VanDerWaalsContact C-N 3.28Å; V68-L70 PolarHBondContact O-N 3.27Å; L70-P72 WeakPolarHBondContact O-CD 3.47Å; L70-L77 HydrophobicContact CB-CD2 4.13Å; L70-L77 HydrophobicContact CD2-CD2 4.31Å; L70-Q119 HydrophobicContact CD2-CB 4.04Å; L70-Q119 HydrophobicContact CD2-CG 3.79Å; L70-Y123 HydrophobicContact CD1-CD2 4.35Å
71Q85.5Confident86.5Confident110 Ų11060.7 Ų60.751%0.51430%0.3SS..  trans-108.184.4175.3-70.4166.8-45.200108.8R69 Q73 E74R69-Q71 PolarHBondContact O-N 2.93Å; Q71-Q73 PolarHBondContact O-N 2.65Å; Q71-E74 HydrophobicContact CB-CB 4.01Å; Q71-E74 HydrophobicContact CB-CG 3.86Å; Q71-E74 VanDerWaalsContact CD-CD 3.42Å; Q71-E74 PolarHBondContact NE2-OE1 3.01Å; Q71-E74 PolarHBondContact O-N 3.22Å; Q71-E74 VanDerWaalsContact OE1-CD 3.3Å; Q71-E74 PolarHBondContact OE1-OE1 3.06Å; Q71-E74 PolarHBondContact OE1-OE2 3.4Å
72P87.7Confident86.9Confident14 Ų1461.6 Ų61.69%0.09130%0.304CS..THydrogen-bonded Turntrans-66.8-11.9-170.728.7-37.9000114.2L70 R78 L81 Y123 L241L70-P72 WeakPolarHBondContact O-CD 3.47Å; P72-R78 WeakPolarHBondContact O-CA 3.48Å; P72-R78 WeakPolarHBondContact O-CB 3.48Å; P72-L81 HydrophobicContact CB-CD1 3.7Å; P72-Y123 HydrophobicContact CB-CD2 4.39Å; P72-Y123 HydrophobicContact CB-CE1 4.18Å; P72-Y123 HydrophobicContact CB-CE2 3.9Å; P72-Y123 HydrophobicContact CG-CE2 3.83Å; P72-L241 HydrophobicContact CB-CD2 3.83Å
73Q87.3Confident87.3Confident74 Ų7463.7 Ų63.735%0.34632%0.319SS..THydrogen-bonded Turntrans-92.1-9.4176.3-60.9-64.9-11.600113.1Q71 R78 L241Q71-Q73 PolarHBondContact O-N 2.65Å; Q73-R78 VanDerWaalsContact O-CD 3.25Å; Q73-R78 WeakPolarHBondContact O-CD 3.37Å; Q73-L241 PolarHBondContact NE2-O 3.3Å
74E88.2Confident87.7Confident102 Ų10259.5 Ų59.548%0.47730%0.299SS..SBendtrans-97.3150.8-178.7-65.8-173.7-156.500111.8Q71 L77 R78Q71-E74 HydrophobicContact CB-CB 4.01Å; Q71-E74 HydrophobicContact CB-CG 3.86Å; Q71-E74 VanDerWaalsContact CD-CD 3.42Å; Q71-E74 PolarHBondContact NE2-OE1 3.01Å; Q71-E74 PolarHBondContact O-N 3.22Å; Q71-E74 VanDerWaalsContact OE1-CD 3.3Å; Q71-E74 PolarHBondContact OE1-OE1 3.06Å; Q71-E74 PolarHBondContact OE1-OE2 3.4Å; E74-L77 PolarHBondContact O-N 2.68Å; E74-L77 VanDerWaalsContact O-N 3.13Å; E74-R78 WeakPolarHBondContact O-CB 3.39Å; E74-R78 PolarHBondContact O-N 2.94Å
75E89.1Confident88.3Confident119 Ų11953.2 Ų53.256%0.55627%0.272SS*.THydrogen-bonded Turntrans-78.9147.1173.4-67.5-58.3153.800110.9S79E75-S79 PolarHBondContact OE1-N 2.98Å; E75-S79 WeakPolarHBondContact OE2-CB 3.14Å; E75-S79 PolarHBondContact OE2-N 3.4Å; E75-S79 PolarHBondContact OE2-OG 3Å
76P91.3Very high88.9Confident71 Ų7152.3 Ų52.346%0.46127%0.268SS..THydrogen-bonded Turncis-86.70.54.334.9-36.9000114.5S79 E80 V116P76-S79 PolarHBondContact O-OG 3.39Å; P76-S79 VanDerWaalsContact O-OG 3.06Å; P76-E80 PolarHBondContact O-N 3.38Å; P76-V116 HydrophobicContact CB-CG1 4.19Å; P76-V116 HydrophobicContact CB-CG2 4.47Å; P76-V116 HydrophobicContact CG-CB 4.43Å; P76-V116 HydrophobicContact CG-CG1 3.9Å; P76-V116 HydrophobicContact CG-CG2 3.63Å
77L90.4Very high89.7Confident9 Ų950.7 Ų50.75%0.04725%0.25CS..Hα-helixtrans-68.5-39.5-171.6179.357.5000112.3L70 E74 E80 L81 V116 Q119 A120L70-L77 HydrophobicContact CB-CD2 4.13Å; L70-L77 HydrophobicContact CD2-CD2 4.31Å; E74-L77 PolarHBondContact O-N 2.68Å; E74-L77 VanDerWaalsContact O-N 3.13Å; L77-E80 PolarHBondContact O-N 2.95Å; L77-L81 HydrophobicContact CD1-CD1 3.93Å; L77-L81 HydrophobicContact CD1-CG 4.08Å; L77-L81 HydrophobicContact CD2-CD1 4.39Å; L77-L81 HydrophobicContact CG-CD1 3.69Å; L77-L81 HydrophobicContact CG-CG 4.33Å; L77-L81 WeakPolarHBondContact O-CB 3.44Å; L77-L81 VanDerWaalsContact O-CG 3.28Å; L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 2.95Å; L77-V116 HydrophobicContact CD1-CG1 4.46Å; L77-Q119 HydrophobicContact CD1-CB 3.95Å; L77-A120 HydrophobicContact CD1-CB 3.88Å
78R91.8Very high90Very high110 Ų11051.4 Ų51.442%0.41526%0.255SS..Hα-helixtrans-59.6-50.5178.9178.8177.4173.4178.8-0.4112.7P72 Q73 E74 E80 L81 L82P72-R78 WeakPolarHBondContact O-CA 3.48Å; P72-R78 WeakPolarHBondContact O-CB 3.48Å; Q73-R78 VanDerWaalsContact O-CD 3.25Å; Q73-R78 WeakPolarHBondContact O-CD 3.37Å; E74-R78 WeakPolarHBondContact O-CB 3.39Å; E74-R78 PolarHBondContact O-N 2.94Å; R78-E80 VanDerWaalsContact C-N 3.28Å; R78-E80 PolarHBondContact O-N 3.41Å; R78-L81 PolarHBondContact O-N 2.99Å; R78-L82 HydrophobicContact CG-CD1 4.12Å; R78-L82 WeakPolarHBondContact O-CG 3.37Å; R78-L82 PolarHBondContact O-N 2.71Å
79S92.3Very high90.6Very high58 Ų5849.6 Ų49.641%0.40624%0.243SC..Hα-helixtrans-63-37178.655.40000112E75 P76 L82 S83E75-S79 PolarHBondContact OE1-N 2.98Å; E75-S79 WeakPolarHBondContact OE2-CB 3.14Å; E75-S79 PolarHBondContact OE2-N 3.4Å; E75-S79 PolarHBondContact OE2-OG 3Å; P76-S79 PolarHBondContact O-OG 3.39Å; P76-S79 VanDerWaalsContact O-OG 3.06Å; S79-L82 PolarHBondContact O-N 3.13Å; S79-S83 PolarHBondContact O-N 3.27Å
80E94.6Very high91.1Very high9 Ų944.4 Ų44.44%0.04224%0.236CC..Hα-helixtrans-66.1-43175.8-173.858.7-153.700112P76 L77 R78 L82 S83 K85 T112 V116 V117 A120P76-E80 PolarHBondContact O-N 3.38Å; L77-E80 PolarHBondContact O-N 2.95Å; R78-E80 VanDerWaalsContact C-N 3.28Å; R78-E80 PolarHBondContact O-N 3.41Å; E80-L82 VanDerWaalsContact C-N 3.32Å; E80-L82 PolarHBondContact O-N 2.56Å; E80-S83 VanDerWaalsContact O-CB 3.31Å; E80-S83 WeakPolarHBondContact O-CB 3.26Å; E80-S83 PolarHBondContact O-N 3.04Å; E80-S83 PolarHBondContact O-OG 3.01Å; E80-K85 WeakPolarHBondContact OE1-CD 3.36Å; E80-K85 WeakPolarHBondContact OE1-CE 3.37Å; E80-K85 IonicContact OE1-NZ 3.06Å; E80-K85 PolarHBondContact OE1-NZ 3.17Å; E80-K85 IonicContact OE2-NZ 3.4Å; E80-K85 PolarHBondContact OE2-NZ 3.04Å; E80-T112 HydrophobicContact CB-CG2 4.46Å; E80-T112 HydrophobicContact CG-CG2 4.19Å; E80-T112 WeakPolarHBondContact OE2-CB 3.47Å; E80-T112 VanDerWaalsContact OE2-CG2 3.32Å; E80-T112 WeakPolarHBondContact OE2-CG2 3.16Å; E80-T112 PolarHBondContact OE2-OG1 3.11Å; E80-V116 HydrophobicContact CB-CG1 3.87Å; E80-V116 HydrophobicContact CG-CG1 4.13Å; E80-V117 HydrophobicContact CG-CG2 4.5Å; E80-A120 HydrophobicContact CB-CB 4.26Å; E80-A120 HydrophobicContact CG-CB 3.66Å
81L92.6Very high91.5Very high0 Ų044.7 Ų44.70%024%0.239CC..Hα-helixtrans-61.2-38.2174.6-75.5164000112.3P72 L77 R78 A120 Y123 L124 N237 L241P72-L81 HydrophobicContact CB-CD1 3.7Å; L77-L81 HydrophobicContact CD1-CD1 3.93Å; L77-L81 HydrophobicContact CD1-CG 4.08Å; L77-L81 HydrophobicContact CD2-CD1 4.39Å; L77-L81 HydrophobicContact CG-CD1 3.69Å; L77-L81 HydrophobicContact CG-CG 4.33Å; L77-L81 WeakPolarHBondContact O-CB 3.44Å; L77-L81 VanDerWaalsContact O-CG 3.28Å; L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 2.95Å; R78-L81 PolarHBondContact O-N 2.99Å; L81-A120 HydrophobicContact CD2-CB 3.79Å; L81-A120 HydrophobicContact CG-CB 3.95Å; L81-Y123 HydrophobicContact CD1-CD1 4.16Å; L81-Y123 HydrophobicContact CD2-CD1 3.69Å; L81-Y123 HydrophobicContact CD2-CG 4.31Å; L81-L124 HydrophobicContact CD2-CD1 3.86Å; L81-L124 HydrophobicContact CD2-CD2 4.13Å; L81-L124 HydrophobicContact CD2-CG 3.63Å; L81-N237 WeakPolarHBondContact O-CB 3.25Å; L81-N237 PolarHBondContact O-ND2 2.98Å; L81-L241 HydrophobicContact CB-CD2 4.23Å; L81-L241 HydrophobicContact CD1-CD2 3.61Å; L81-L241 HydrophobicContact CG-CD2 4.37Å
82L93.3Very high91.9Very high45 Ų4542.3 Ų42.324%0.23623%0.225CC..Hα-helixtrans-86.7-4.1-179.9-66.1177.3000114R78 S79 E80 G84 Q238 L241R78-L82 HydrophobicContact CG-CD1 4.12Å; R78-L82 WeakPolarHBondContact O-CG 3.37Å; R78-L82 PolarHBondContact O-N 2.71Å; S79-L82 PolarHBondContact O-N 3.13Å; E80-L82 VanDerWaalsContact C-N 3.32Å; E80-L82 PolarHBondContact O-N 2.56Å; L82-G84 PolarHBondContact O-N 2.8Å; L82-G84 VanDerWaalsContact O-N 3.11Å; L82-Q238 HydrophobicContact CD2-CB 4.05Å; L82-L241 HydrophobicContact CD1-CD1 4.37Å; L82-L241 HydrophobicContact CD2-CD1 3.6Å; L82-L241 HydrophobicContact CG-CD1 3.9Å
83S93.6Very high92.3Very high47 Ų4742.6 Ų42.633%0.32923%0.226SC..THydrogen-bonded Turntrans-63-18.9-179.1710000113.9S79 E80 K85S79-S83 PolarHBondContact O-N 3.27Å; E80-S83 VanDerWaalsContact O-CB 3.31Å; E80-S83 WeakPolarHBondContact O-CB 3.26Å; E80-S83 PolarHBondContact O-N 3.04Å; E80-S83 PolarHBondContact O-OG 3.01Å; S83-K85 PolarHBondContact O-N 3.4Å; S83-K85 VanDerWaalsContact O-N 3.15Å; S83-K85 WeakPolarHBondContact OG-CE 3.5Å; S83-K85 WeakPolarHBondContact OG-CG 3.37Å; S83-K85 PolarHBondContact OG-N 3.2Å
84G90.3Very high92.6Very high8 Ų843.7 Ų43.78%0.08224%0.24CC..SBendtrans69.42.8-176.600000114.4L82 F86L82-G84 PolarHBondContact O-N 2.8Å; L82-G84 VanDerWaalsContact O-N 3.11Å; G84-F86 VanDerWaalsContact C-N 3.27Å; G84-F86 PolarHBondContact O-N 2.59Å
85K93.2Very high92.8Very high8 Ų842.3 Ų42.34%0.03524%0.238CC..SBendtrans-67.6-30177.682.9177.366.3156.90112.3E80 S83 Y102 T103 L106 H107E80-K85 WeakPolarHBondContact OE1-CD 3.36Å; E80-K85 WeakPolarHBondContact OE1-CE 3.37Å; E80-K85 IonicContact OE1-NZ 3.06Å; E80-K85 PolarHBondContact OE1-NZ 3.17Å; E80-K85 IonicContact OE2-NZ 3.4Å; E80-K85 PolarHBondContact OE2-NZ 3.04Å; S83-K85 PolarHBondContact O-N 3.4Å; S83-K85 VanDerWaalsContact O-N 3.15Å; S83-K85 WeakPolarHBondContact OG-CE 3.5Å; S83-K85 WeakPolarHBondContact OG-CG 3.37Å; S83-K85 PolarHBondContact OG-N 3.2Å; K85-Y102 CarbonylContact O-C 3.53Å; K85-Y102 VanDerWaalsContact O-CA 3.27Å; K85-Y102 WeakPolarHBondContact O-CA 3.49Å; K85-T103 PolarHBondContact O-N 2.85Å; K85-L106 HydrophobicContact CB-CB 3.71Å; K85-L106 HydrophobicContact CB-CD1 4.45Å; K85-H107 HydrophobicContact CD-CB 4.45Å; K85-H107 PolarHBondContact NZ-ND1 3.47Å
86F95.2Very high93Very high10 Ų1037.1 Ų37.14%0.04422%0.217CC..EExtended strand (participates in β ladder)trans-125.5132170.4-173.8-105.7000109.1G84 A100 L101 Y102 L121 L124 L125 F141 N237G84-F86 VanDerWaalsContact C-N 3.27Å; G84-F86 PolarHBondContact O-N 2.59Å; F86-A100 HydrophobicContact CE2-CB 4Å; F86-A100 HydrophobicContact CZ-CB 3.86Å; F86-L101 WeakPolarHBondContact CA-O 3.42Å; F86-L101 WeakPolarHBondContact CD2-O 3.38Å; F86-Y102 HydrophobicContact CB-CD2 4.1Å; F86-Y102 AromaticContact CD2-CD2 3.77Å; F86-Y102 HydrophobicContact CD2-CD2 3.77Å; F86-Y102 HydrophobicContact CD2-CG 4.37Å; F86-Y102 HydrophobicContact CG-CD2 4.34Å; F86-L121 HydrophobicContact CD1-CB 4.28Å; F86-L121 HydrophobicContact CD1-CG 4.17Å; F86-L121 HydrophobicContact CD2-CD1 4.16Å; F86-L121 HydrophobicContact CD2-CG 4.32Å; F86-L121 HydrophobicContact CE1-CG 4.03Å; F86-L121 HydrophobicContact CE2-CD1 4.17Å; F86-L121 HydrophobicContact CE2-CG 4.16Å; F86-L121 HydrophobicContact CG-CD1 4.47Å; F86-L121 HydrophobicContact CG-CG 4.31Å; F86-L121 HydrophobicContact CZ-CG 4.02Å; F86-L124 HydrophobicContact CD1-CB 3.82Å; F86-L124 HydrophobicContact CD1-CD1 3.69Å; F86-L124 HydrophobicContact CD1-CG 4.39Å; F86-L124 HydrophobicContact CE1-CB 3.74Å; F86-L124 HydrophobicContact CE1-CD1 4.47Å; F86-L124 WeakPolarHBondContact O-CD1 3.46Å; F86-L125 HydrophobicContact CE1-CD2 4.19Å; F86-L125 HydrophobicContact CE1-CG 3.9Å; F86-L125 HydrophobicContact CZ-CD1 4.31Å; F86-L125 HydrophobicContact CZ-CD2 3.67Å; F86-L125 HydrophobicContact CZ-CG 3.7Å; F86-F141 HydrophobicContact CE2-CD1 4.38Å; F86-F141 AromaticContact CE2-CE1 3.88Å; F86-F141 HydrophobicContact CE2-CE1 3.88Å; F86-F141 HydrophobicContact CZ-CE1 4.03Å; F86-N237 PolarHBondContact O-ND2 2.67Å
87T94.8Very high93.2Very high1 Ų133.7 Ų33.71%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-152.3159.5177.2-167.90000110.6L89 L101 L231 A233 N237T87-L89 HydrophobicContact CG2-CD2 4.21Å; T87-L101 HydrophobicContact CG2-CB 4.21Å; T87-L101 PolarHBondContact N-O 2.86Å; T87-L101 PolarHBondContact O-N 2.95Å; T87-L231 HydrophobicContact CG2-CD1 4.37Å; T87-A233 HydrophobicContact CG2-CB 3.9Å; T87-N237 WeakPolarHBondContact CB-OD1 3.41Å; T87-N237 PolarHBondContact OG1-OD1 2.92Å
88V93.2Very high93.4Very high15 Ų1533.6 Ų33.69%0.09120%0.195CC..EExtended strand (participates in β ladder)trans-108.3120.1173.1179.40000106.1S98 I99 A128V88-S98 VanDerWaalsContact CG1-OG 3.25Å; V88-S98 WeakPolarHBondContact CG1-OG 3.39Å; V88-I99 WeakPolarHBondContact CA-O 3.38Å; V88-A128 HydrophobicContact CB-CB 4.43Å; V88-A128 HydrophobicContact CG1-CB 3.92Å; V88-A128 HydrophobicContact CG2-CB 3.89Å
89L94.1Very high93.6Very high7 Ų728.3 Ų28.34%0.03718%0.175CC..EExtended strand (participates in β ladder)trans-64.2147.7-175.9-53-173.9000110.2T87 V91 I99 L101 P222 L229 L231 W236T87-L89 HydrophobicContact CG2-CD2 4.21Å; L89-V91 HydrophobicContact CB-CG2 4.16Å; L89-V91 PolarHBondContact O-N 2.77Å; L89-V91 VanDerWaalsContact O-N 3.16Å; L89-I99 HydrophobicContact CB-CB 4.31Å; L89-I99 HydrophobicContact CD1-CB 3.93Å; L89-I99 HydrophobicContact CD1-CD1 4.47Å; L89-I99 HydrophobicContact CD1-CG2 3.59Å; L89-I99 HydrophobicContact CG-CB 4.14Å; L89-I99 HydrophobicContact CG-CG2 4.07Å; L89-I99 PolarHBondContact N-O 2.93Å; L89-L101 HydrophobicContact CD2-CB 4.11Å; L89-L101 HydrophobicContact CD2-CD2 4.17Å; L89-P222 HydrophobicContact CD1-CG 4.32Å; L89-P222 HydrophobicContact CD2-CG 4.31Å; L89-L229 HydrophobicContact CB-CD2 4.29Å; L89-L229 HydrophobicContact CD1-CD2 4.26Å; L89-L229 HydrophobicContact CD2-CD2 4.47Å; L89-L231 HydrophobicContact CD2-CD1 4.04Å; L89-W236 HydrophobicContact CB-CZ3 4.38Å; L89-W236 HydrophobicContact CD2-CZ3 3.73Å
90S90.1Very high93.8Very high80 Ų8025.6 Ų25.656%0.55916%0.155SC*.EExtended strand (participates in β ladder)trans-67.6-9.7176.156.80000113.9W236S90-W236 WeakPolarHBondContact OG-CZ2 3.4Å
91V93.3Very high93.9Very high41 Ų4125.2 Ų25.225%0.24815%0.154CC..EExtended strand (participates in β ladder)trans-113.1158.9-179.6-61.40000111.4L89 L229L89-V91 HydrophobicContact CB-CG2 4.16Å; L89-V91 PolarHBondContact O-N 2.77Å; L89-V91 VanDerWaalsContact O-N 3.16Å; V91-L229 HydrophobicContact CG1-CD1 3.97Å; V91-L229 HydrophobicContact CG2-CD2 3.73Å
92R94.5Very high94.1Very high60 Ų6026 Ų2623%0.22616%0.157CC..EExtended strand (participates in β ladder)trans-110.2162.3178.5-67.1176.7177-68.9-12110.8G96 A97 S131 E133 T134 C220R92-G96 WeakPolarHBondContact CD-O 3.38Å; R92-G96 PolarHBondContact NH1-O 3.5Å; R92-A97 VanDerWaalsContact CA-O 3.31Å; R92-A97 WeakPolarHBondContact CA-O 3.46Å; R92-A97 WeakPolarHBondContact CB-O 3.29Å; R92-S131 PolarHBondContact NH2-OG 3.09Å; R92-E133 VanDerWaalsContact CD-OE1 3.24Å; R92-E133 WeakPolarHBondContact CD-OE1 3.41Å; R92-E133 WeakPolarHBondContact CD-OE2 3.4Å; R92-E133 IonicContact CZ-OE2 2.88Å; R92-E133 IonicContact NE-OE1 3.06Å; R92-E133 IonicContact NE-OE2 3.01Å; R92-E133 PolarHBondContact NE-OE2 3.39Å; R92-E133 IonicContact NH2-OE2 3.44Å; R92-T134 PolarHBondContact NH1-OG1 3.28Å; R92-T134 PolarHBondContact NH2-OG1 3.1Å; R92-C220 PolarHBondContact O-SG 3.1Å
93D94.8Very high94.2Very high20 Ų2024.1 Ų24.111%0.10715%0.147CC..  trans-71.2167.7167.690.9-16.9000111T95 G96 A97 I99 L216D93-T95 PolarHBondContact O-N 2.92Å; D93-T95 VanDerWaalsContact OD1-C 3.23Å; D93-T95 VanDerWaalsContact OD1-CA 3.25Å; D93-T95 WeakPolarHBondContact OD1-CA 3.33Å; D93-T95 WeakPolarHBondContact OD1-CB 3.48Å; D93-T95 PolarHBondContact OD1-N 3.37Å; D93-T95 PolarHBondContact OD1-OG1 3.5Å; D93-T95 PolarHBondContact OD2-OG1 2.83Å; D93-G96 PolarHBondContact O-N 3.34Å; D93-G96 PolarHBondContact OD1-N 3.35Å; D93-A97 PolarHBondContact N-O 3.22Å; D93-A97 VanDerWaalsContact OD1-CB 3.25Å; D93-A97 WeakPolarHBondContact OD1-CB 3.27Å; D93-A97 PolarHBondContact OD1-N 2.82Å; D93-I99 HydrophobicContact CB-CD1 4.27Å; D93-I99 HydrophobicContact CB-CG1 4.37Å; D93-L216 HydrophobicContact CB-CD2 3.7Å
94P93.9Very high94.3Very high97 Ų9722 Ų2263%0.6313%0.132SC*.THydrogen-bonded Turntrans-59.3-15.9178.9-29.338.6000115.2P217P94-P217 HydrophobicContact CG-CG 3.49Å; P94-P217 VanDerWaalsContact CG-CG 3.49Å
95T93.6Very high94.6Very high73 Ų7326 Ų2645%0.44815%0.148SC..THydrogen-bonded Turntrans-96.78.9177.976.40000112.4D93 A97 N137 K174D93-T95 PolarHBondContact O-N 2.92Å; D93-T95 VanDerWaalsContact OD1-C 3.23Å; D93-T95 VanDerWaalsContact OD1-CA 3.25Å; D93-T95 WeakPolarHBondContact OD1-CA 3.33Å; D93-T95 WeakPolarHBondContact OD1-CB 3.48Å; D93-T95 PolarHBondContact OD1-N 3.37Å; D93-T95 PolarHBondContact OD1-OG1 3.5Å; D93-T95 PolarHBondContact OD2-OG1 2.83Å; T95-A97 VanDerWaalsContact C-N 3.3Å; T95-A97 PolarHBondContact O-N 3.19Å; T95-N137 WeakPolarHBondContact O-CB 3.46Å; T95-N137 VanDerWaalsContact O-CG 3.29Å; T95-K174 PolarHBondContact O-NZ 3.27Å; T95-K174 PolarHBondContact OG1-NZ 3.13Å
96G93.1Very high94.6Very high10 Ų1029 Ų2910%0.10316%0.164CC..SBendtrans76.97.6-179.400000114.8R92 D93 N137R92-G96 WeakPolarHBondContact CD-O 3.38Å; R92-G96 PolarHBondContact NH1-O 3.5Å; D93-G96 PolarHBondContact O-N 3.34Å; D93-G96 PolarHBondContact OD1-N 3.35Å; G96-N137 WeakPolarHBondContact O-CB 3.31Å; G96-N137 PolarHBondContact O-ND2 2.98Å
97A94.7Very high94.6Very high0 Ų028.7 Ų28.70%016%0.162CC..PPolyproline II helixtrans-72.9139.9179.800000110.8R92 D93 T95 G138 V140 K174R92-A97 VanDerWaalsContact CA-O 3.31Å; R92-A97 WeakPolarHBondContact CA-O 3.46Å; R92-A97 WeakPolarHBondContact CB-O 3.29Å; D93-A97 PolarHBondContact N-O 3.22Å; D93-A97 VanDerWaalsContact OD1-CB 3.25Å; D93-A97 WeakPolarHBondContact OD1-CB 3.27Å; D93-A97 PolarHBondContact OD1-N 2.82Å; T95-A97 VanDerWaalsContact C-N 3.3Å; T95-A97 PolarHBondContact O-N 3.19Å; A97-G138 WeakPolarHBondContact CA-O 3.32Å; A97-V140 HydrophobicContact CB-CG2 4.02Å; A97-K174 HydrophobicContact CB-CD 3.79Å
98S95.4Very high94.6Very high6 Ų632.3 Ų32.34%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-72.4141.4174-1530000109.8V88 G138 L139 V140V88-S98 VanDerWaalsContact CG1-OG 3.25Å; V88-S98 WeakPolarHBondContact CG1-OG 3.39Å; S98-G138 PolarHBondContact N-O 3.33Å; S98-L139 CarbonylContact O-C 3.5Å; S98-L139 WeakPolarHBondContact O-CA 3.31Å; S98-V140 PolarHBondContact O-N 3.37Å
99I96.2Very high94.4Very high0 Ų032.8 Ų32.80%018%0.182CC..EExtended strand (participates in β ladder)trans-103.5117.5-179.2-55171.1000108.9V88 L89 D93 V140 I142 L216 C220V88-I99 WeakPolarHBondContact CA-O 3.38Å; L89-I99 HydrophobicContact CB-CB 4.31Å; L89-I99 HydrophobicContact CD1-CB 3.93Å; L89-I99 HydrophobicContact CD1-CD1 4.47Å; L89-I99 HydrophobicContact CD1-CG2 3.59Å; L89-I99 HydrophobicContact CG-CB 4.14Å; L89-I99 HydrophobicContact CG-CG2 4.07Å; L89-I99 PolarHBondContact N-O 2.93Å; D93-I99 HydrophobicContact CB-CD1 4.27Å; D93-I99 HydrophobicContact CB-CG1 4.37Å; I99-V140 CarbonylContact C-O 3.54Å; I99-V140 WeakPolarHBondContact CA-O 3.09Å; I99-V140 HydrophobicContact CG1-CB 4.48Å; I99-I142 HydrophobicContact CG2-CD1 3.6Å; I99-I142 HydrophobicContact CG2-CG1 4Å; I99-L216 HydrophobicContact CD1-CD1 4.43Å; I99-L216 HydrophobicContact CD1-CD2 4.38Å; I99-C220 HydrophobicContact CD1-CB 3.86Å
100A95.4Very high94.1Very high0 Ų040.4 Ų40.40%022%0.223CC..EExtended strand (participates in β ladder)trans-100.2128.1173.300000109.5F86 L125 V140 F141 I142F86-A100 HydrophobicContact CE2-CB 4Å; F86-A100 HydrophobicContact CZ-CB 3.86Å; A100-L125 HydrophobicContact CB-CD2 4.2Å; A100-V140 PolarHBondContact N-O 3.06Å; A100-F141 HydrophobicContact CB-CD1 3.88Å; A100-F141 HydrophobicContact CB-CE1 3.83Å; A100-F141 HydrophobicContact CB-CE2 4.48Å; A100-F141 HydrophobicContact CB-CG 4.26Å; A100-F141 HydrophobicContact CB-CZ 4.16Å; A100-F141 CarbonylContact O-C 3.58Å; A100-F141 WeakPolarHBondContact O-CA 3.29Å; A100-I142 PolarHBondContact O-N 2.87Å
101L96.7Very high93.9Very high1 Ų144.6 Ų44.61%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-113.6127.1-178.9175.264.6000109.9F86 T87 L89 I142 D144 P222 L225 L231F86-L101 WeakPolarHBondContact CA-O 3.42Å; F86-L101 WeakPolarHBondContact CD2-O 3.38Å; T87-L101 HydrophobicContact CG2-CB 4.21Å; T87-L101 PolarHBondContact N-O 2.86Å; T87-L101 PolarHBondContact O-N 2.95Å; L89-L101 HydrophobicContact CD2-CB 4.11Å; L89-L101 HydrophobicContact CD2-CD2 4.17Å; L101-I142 WeakPolarHBondContact CA-O 3.3Å; L101-I142 HydrophobicContact CD1-CB 3.79Å; L101-I142 HydrophobicContact CD1-CG2 3.62Å; L101-D144 HydrophobicContact CD1-CB 4.12Å; L101-P222 HydrophobicContact CD2-CG 3.94Å; L101-L225 HydrophobicContact CD1-CD1 3.97Å; L101-L231 HydrophobicContact CD2-CD1 4.15Å
102Y96.4Very high93.5Very high17 Ų1743.8 Ų43.87%0.06723%0.226CC..EExtended strand (participates in β ladder)trans-115.6121.5168.6-168.2-73.7000109.9K85 F86 H107 L121 I142 Y143 D144K85-Y102 CarbonylContact O-C 3.53Å; K85-Y102 VanDerWaalsContact O-CA 3.27Å; K85-Y102 WeakPolarHBondContact O-CA 3.49Å; F86-Y102 HydrophobicContact CB-CD2 4.1Å; F86-Y102 AromaticContact CD2-CD2 3.77Å; F86-Y102 HydrophobicContact CD2-CD2 3.77Å; F86-Y102 HydrophobicContact CD2-CG 4.37Å; F86-Y102 HydrophobicContact CG-CD2 4.34Å; Y102-H107 HydrophobicContact CE1-CB 4.33Å; Y102-H107 VanDerWaalsContact OH-CG 3.31Å; Y102-L121 HydrophobicContact CD2-CD1 4.29Å; Y102-L121 HydrophobicContact CE2-CD1 4.49Å; Y102-I142 PolarHBondContact N-O 3.09Å; Y102-Y143 AromaticContact CD1-CD2 3.6Å; Y102-Y143 HydrophobicContact CD1-CD2 3.6Å; Y102-Y143 AromaticContact CD1-CE2 3.42Å; Y102-Y143 HydrophobicContact CD1-CE2 3.42Å; Y102-Y143 VanDerWaalsContact CD1-CE2 3.42Å; Y102-Y143 HydrophobicContact CE1-CD2 4.44Å; Y102-Y143 AromaticContact CE1-CE2 3.83Å; Y102-Y143 HydrophobicContact CE1-CE2 3.83Å; Y102-Y143 HydrophobicContact CG-CD2 4.12Å; Y102-Y143 HydrophobicContact CG-CE2 4.31Å; Y102-D144 PolarHBondContact O-N 3.4Å
103T96.2Very high93.1Very high6 Ų642.6 Ų42.64%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-101.898.8-177.5-54.10000110.1K85 K105 L106K85-T103 PolarHBondContact O-N 2.85Å; T103-K105 HydrophobicContact CG2-CG 3.87Å; T103-K105 PolarHBondContact O-N 3.35Å; T103-L106 HydrophobicContact CG2-CD1 3.97Å; T103-L106 HydrophobicContact CG2-CG 3.9Å; T103-L106 PolarHBondContact O-N 3.01Å
104A96.1Very high92.6Very high1 Ų143.5 Ų43.51%0.00824%0.238CC..G310 helixtrans-61.2-37.9-168.400000114L106 H107 Y143 D144 M145 N152A104-L106 PolarHBondContact O-N 2.81Å; A104-L106 VanDerWaalsContact O-N 3.12Å; A104-H107 WeakPolarHBondContact O-CB 3.44Å; A104-H107 PolarHBondContact O-N 2.84Å; A104-Y143 HydrophobicContact CB-CD2 4.48Å; A104-Y143 HydrophobicContact CB-CE2 3.65Å; A104-D144 VanDerWaalsContact CB-O 3.24Å; A104-D144 WeakPolarHBondContact CB-O 3.42Å; A104-D144 PolarHBondContact N-O 3.34Å; A104-M145 HydrophobicContact CB-CG 4.39Å; A104-N152 WeakPolarHBondContact O-CB 3.03Å
105K95.4Very high92.3Very high93 Ų9343.8 Ų43.840%0.40423%0.231SC..G310 helixtrans-61.7-21-179.265179.4177-1690114.2T103 H107 N152T103-K105 HydrophobicContact CG2-CG 3.87Å; T103-K105 PolarHBondContact O-N 3.35Å; K105-H107 VanDerWaalsContact C-N 3.35Å; K105-N152 PolarHBondContact O-ND2 2.69Å
106L94.7Very high92.1Very high71 Ų7140.5 Ų40.537%0.37221%0.21SC..G310 helixtrans-86-8.8176.9-59.5-178.4000112.4K85 T103 A104 H108K85-L106 HydrophobicContact CB-CB 3.71Å; K85-L106 HydrophobicContact CB-CD1 4.45Å; T103-L106 HydrophobicContact CG2-CD1 3.97Å; T103-L106 HydrophobicContact CG2-CG 3.9Å; T103-L106 PolarHBondContact O-N 3.01Å; A104-L106 PolarHBondContact O-N 2.81Å; A104-L106 VanDerWaalsContact O-N 3.12Å; L106-H108 PolarHBondContact O-CD2 3.34Å
107H95.3Very high92.1Very high3 Ų340.1 Ų40.11%0.01421%0.206CC..  trans-80.7124.8176.3-17139.3000110.7K85 Y102 A104 K105 N152 E154K85-H107 HydrophobicContact CD-CB 4.45Å; K85-H107 PolarHBondContact NZ-ND1 3.47Å; Y102-H107 HydrophobicContact CE1-CB 4.33Å; Y102-H107 VanDerWaalsContact OH-CG 3.31Å; A104-H107 WeakPolarHBondContact O-CB 3.44Å; A104-H107 PolarHBondContact O-N 2.84Å; K105-H107 VanDerWaalsContact C-N 3.35Å; H107-N152 PolarHBondContact CD2-O 2.75Å; H107-N152 PolarHBondContact O-ND2 3.38Å; H107-E154 IonicContact CD2-OE2 3.67Å; H107-E154 IonicContact CE1-OE2 3.49Å; H107-E154 PolarHBondContact CE1-OE2 2.88Å; H107-E154 IonicContact NE2-OE2 2.75Å; H107-E154 PolarHBondContact NE2-OE2 2.91Å
108H92.7Very high91.9Very high78 Ų7840.2 Ų40.236%0.36121%0.207SC..  trans-127.791.8179.5-63.3-63.6000109.1L106 N110 K111 T112L106-H108 PolarHBondContact O-CD2 3.34Å; H108-N110 PolarHBondContact O-N 3.32Å; H108-N110 VanDerWaalsContact O-N 3.08Å; H108-K111 HydrophobicContact CB-CB 4.12Å; H108-K111 HydrophobicContact CB-CD 3.96Å; H108-K111 HydrophobicContact CB-CG 4.01Å; H108-K111 PolarHBondContact O-N 2.9Å; H108-T112 PolarHBondContact O-N 2.8Å
109P89.7Confident91.7Very high25 Ų2541.5 Ų41.516%0.16221%0.212CC..THydrogen-bonded Turntrans-49.1-35.5-178.6-34.640.3000115K111 T151 E154P109-K111 VanDerWaalsContact C-N 3.28Å; P109-K111 PolarHBondContact O-N 3.09Å; P109-T151 WeakPolarHBondContact CD-O 3.3Å; P109-T151 VanDerWaalsContact CG-O 3.28Å; P109-T151 WeakPolarHBondContact CG-O 3.42Å; P109-E154 WeakPolarHBondContact CA-OE2 3.14Å; P109-E154 HydrophobicContact CB-CG 3.81Å; P109-E154 VanDerWaalsContact CB-OE2 3.24Å; P109-E154 WeakPolarHBondContact CB-OE2 3.45Å; P109-E154 HydrophobicContact CG-CG 3.57Å; P109-E154 VanDerWaalsContact CG-OE2 3.29Å; P109-E154 WeakPolarHBondContact CG-OE2 3.13Å
110N87.5Confident91.5Very high167 Ų16741.7 Ų41.789%0.89321%0.214SC*.THydrogen-bonded Turntrans-76.7-12.2-177.8-60.5-18.5000113.7H108H108-N110 PolarHBondContact O-N 3.32Å; H108-N110 VanDerWaalsContact O-N 3.08Å
111K86.1Confident91.4Very high167 Ų16742 Ų4273%0.72622%0.215SC*.THydrogen-bonded Turntrans-100-41.5-177.8-68.6-172.6176.6-179.20112.6H108 P109H108-K111 HydrophobicContact CB-CB 4.12Å; H108-K111 HydrophobicContact CB-CD 3.96Å; H108-K111 HydrophobicContact CB-CG 4.01Å; H108-K111 PolarHBondContact O-N 2.9Å; P109-K111 VanDerWaalsContact C-N 3.28Å; P109-K111 PolarHBondContact O-N 3.09Å
112T85.6Confident91.1Very high24 Ų2442 Ų4215%0.14722%0.215CC..SBendtrans-126.8125.6-177.7-48.70000109.6E80 H108 V116 V117E80-T112 HydrophobicContact CB-CG2 4.46Å; E80-T112 HydrophobicContact CG-CG2 4.19Å; E80-T112 WeakPolarHBondContact OE2-CB 3.47Å; E80-T112 VanDerWaalsContact OE2-CG2 3.32Å; E80-T112 WeakPolarHBondContact OE2-CG2 3.16Å; E80-T112 PolarHBondContact OE2-OG1 3.11Å; H108-T112 PolarHBondContact O-N 2.8Å; T112-V116 HydrophobicContact CG2-CB 3.64Å; T112-V116 HydrophobicContact CG2-CG1 3.94Å; T112-V116 HydrophobicContact CG2-CG2 4.23Å; T112-V117 HydrophobicContact CG2-CG2 3.88Å
113G85.5Confident90.8Very high36 Ų3641.7 Ų41.737%0.37121%0.214SC..  trans-65145.8176.800000112.7H115 V116 V117G113-H115 PolarHBondContact O-N 3.22Å; G113-V116 PolarHBondContact O-N 2.84Å; G113-V117 PolarHBondContact O-N 2.88Å
114N85.4Confident90.5Very high38 Ų3841.5 Ų41.520%0.20321%0.213CC..Hα-helixtrans-49.3-33.7-178.5-78.1-35.8000115.5L118 E154 L157N114-L118 WeakPolarHBondContact O-CB 3.03Å; N114-L118 PolarHBondContact O-N 3.42Å; N114-E154 VanDerWaalsContact CG-OE1 3.25Å; N114-E154 PolarHBondContact ND2-OE1 3.44Å; N114-E154 PolarHBondContact OD1-OE1 3.13Å; N114-E154 VanDerWaalsContact OD1-OE1 3.09Å; N114-E154 PolarHBondContact OD1-OE2 3.35Å; N114-L157 WeakPolarHBondContact OD1-CB 3.44Å
115H86.3Confident90.3Very high103 Ų10341.6 Ų41.648%0.47721%0.213SC..Hα-helixtrans-65.9-42179.766.1-82.7000111.8G113 L118 Q119G113-H115 PolarHBondContact O-N 3.22Å; H115-L118 PolarHBondContact O-N 2.82Å; H115-Q119 VanDerWaalsContact O-CG 3.25Å; H115-Q119 WeakPolarHBondContact O-CG 3.35Å; H115-Q119 PolarHBondContact O-N 2.62Å
116V89.6Confident89.9Confident4 Ų437.6 Ų37.62%0.02420%0.196CC..Hα-helixtrans-67.7-42.2179.2-1710000110.7P76 L77 E80 T112 G113 L118 Q119 A120P76-V116 HydrophobicContact CB-CG1 4.19Å; P76-V116 HydrophobicContact CB-CG2 4.47Å; P76-V116 HydrophobicContact CG-CB 4.43Å; P76-V116 HydrophobicContact CG-CG1 3.9Å; P76-V116 HydrophobicContact CG-CG2 3.63Å; L77-V116 HydrophobicContact CD1-CG1 4.46Å; E80-V116 HydrophobicContact CB-CG1 3.87Å; E80-V116 HydrophobicContact CG-CG1 4.13Å; T112-V116 HydrophobicContact CG2-CB 3.64Å; T112-V116 HydrophobicContact CG2-CG1 3.94Å; T112-V116 HydrophobicContact CG2-CG2 4.23Å; G113-V116 PolarHBondContact O-N 2.84Å; V116-L118 VanDerWaalsContact C-N 3.29Å; V116-L118 PolarHBondContact O-N 3.48Å; V116-Q119 PolarHBondContact O-N 3.48Å; V116-A120 WeakPolarHBondContact O-CB 3.23Å; V116-A120 PolarHBondContact O-N 2.93Å
117V92.9Very high89.5Confident3 Ų335.3 Ų35.32%0.01818%0.183CC..Hα-helixtrans-60.4-42.8176.6-174.90000110.7E80 T112 G113 A120 L121 L157E80-V117 HydrophobicContact CG-CG2 4.5Å; T112-V117 HydrophobicContact CG2-CG2 3.88Å; G113-V117 PolarHBondContact O-N 2.88Å; V117-A120 PolarHBondContact O-N 2.95Å; V117-L121 WeakPolarHBondContact O-CB 3.35Å; V117-L121 PolarHBondContact O-N 2.89Å; V117-L157 HydrophobicContact CB-CD1 4.48Å; V117-L157 HydrophobicContact CB-CD2 4.29Å; V117-L157 HydrophobicContact CG1-CD1 4.45Å; V117-L157 HydrophobicContact CG1-CD2 3.84Å
118L91.6Very high89.1Confident1 Ų135.7 Ų35.71%0.00519%0.186CC..Hα-helixtrans-67-41.7177.5-168.967.3000112.2E65 I67 N114 H115 V116 L121 F122 L157 K160 I161 L164E65-L118 HydrophobicContact CB-CD2 3.82Å; E65-L118 HydrophobicContact CG-CD2 3.81Å; I67-L118 HydrophobicContact CD1-CG 4.43Å; N114-L118 WeakPolarHBondContact O-CB 3.03Å; N114-L118 PolarHBondContact O-N 3.42Å; H115-L118 PolarHBondContact O-N 2.82Å; V116-L118 VanDerWaalsContact C-N 3.29Å; V116-L118 PolarHBondContact O-N 3.48Å; L118-L121 PolarHBondContact O-N 3.48Å; L118-F122 VanDerWaalsContact O-CB 3.23Å; L118-F122 WeakPolarHBondContact O-CB 3.39Å; L118-F122 PolarHBondContact O-N 3.22Å; L118-L157 HydrophobicContact CB-CD1 4.32Å; L118-L157 HydrophobicContact CD1-CD1 4.39Å; L118-K160 HydrophobicContact CD1-CB 4.23Å; L118-K160 HydrophobicContact CD2-CB 4.05Å; L118-K160 HydrophobicContact CD2-CD 3.92Å; L118-I161 HydrophobicContact CD1-CG1 4.11Å; L118-L164 HydrophobicContact CD1-CD1 3.54Å; L118-L164 HydrophobicContact CG-CD1 4.32Å
119Q90.6Very high88.9Confident34 Ų3432 Ų3216%0.15917%0.169CC..Hα-helixtrans-60-45.3174.3-73.5171.1-27.500111.3G66 I67 L70 L77 H115 V116 F122 Y123G66-Q119 PolarHBondContact O-NE2 3.37Å; I67-Q119 HydrophobicContact CG1-CG 4.25Å; L70-Q119 HydrophobicContact CD2-CB 4.04Å; L70-Q119 HydrophobicContact CD2-CG 3.79Å; L77-Q119 HydrophobicContact CD1-CB 3.95Å; H115-Q119 VanDerWaalsContact O-CG 3.25Å; H115-Q119 WeakPolarHBondContact O-CG 3.35Å; H115-Q119 PolarHBondContact O-N 2.62Å; V116-Q119 PolarHBondContact O-N 3.48Å; Q119-F122 PolarHBondContact O-N 3.3Å; Q119-Y123 VanDerWaalsContact O-CB 3.32Å; Q119-Y123 WeakPolarHBondContact O-CB 3.44Å; Q119-Y123 PolarHBondContact O-N 2.97Å
120A91.9Very high88.7Confident4 Ų436.1 Ų36.13%0.03319%0.186CC..Hα-helixtrans-63.7-46.5178.100000112.2L77 E80 L81 V116 V117 F122 Y123 L124L77-A120 HydrophobicContact CD1-CB 3.88Å; E80-A120 HydrophobicContact CB-CB 4.26Å; E80-A120 HydrophobicContact CG-CB 3.66Å; L81-A120 HydrophobicContact CD2-CB 3.79Å; L81-A120 HydrophobicContact CG-CB 3.95Å; V116-A120 WeakPolarHBondContact O-CB 3.23Å; V116-A120 PolarHBondContact O-N 2.93Å; V117-A120 PolarHBondContact O-N 2.95Å; A120-F122 PolarHBondContact O-N 3.23Å; A120-Y123 PolarHBondContact O-N 3.36Å; A120-L124 WeakPolarHBondContact O-CG 3.35Å; A120-L124 PolarHBondContact O-N 3.18Å
121L92.8Very high88.6Confident5 Ų530.3 Ų30.33%0.02616%0.158CC..Hα-helixtrans-60.2-46.3175.9179.6151.8000111.1F86 Y102 V117 L118 L124 L125 I161 L164F86-L121 HydrophobicContact CD1-CB 4.28Å; F86-L121 HydrophobicContact CD1-CG 4.17Å; F86-L121 HydrophobicContact CD2-CD1 4.16Å; F86-L121 HydrophobicContact CD2-CG 4.32Å; F86-L121 HydrophobicContact CE1-CG 4.03Å; F86-L121 HydrophobicContact CE2-CD1 4.17Å; F86-L121 HydrophobicContact CE2-CG 4.16Å; F86-L121 HydrophobicContact CG-CD1 4.47Å; F86-L121 HydrophobicContact CG-CG 4.31Å; F86-L121 HydrophobicContact CZ-CG 4.02Å; Y102-L121 HydrophobicContact CD2-CD1 4.29Å; Y102-L121 HydrophobicContact CE2-CD1 4.49Å; V117-L121 WeakPolarHBondContact O-CB 3.35Å; V117-L121 PolarHBondContact O-N 2.89Å; L118-L121 PolarHBondContact O-N 3.48Å; L121-L124 PolarHBondContact O-N 3.01Å; L121-L125 HydrophobicContact CD2-CD1 3.48Å; L121-L125 VanDerWaalsContact CD2-CD1 3.48Å; L121-L125 HydrophobicContact CD2-CG 4.33Å; L121-L125 HydrophobicContact CG-CD1 4.28Å; L121-L125 WeakPolarHBondContact O-CB 3.23Å; L121-L125 WeakPolarHBondContact O-CG 3.36Å; L121-L125 PolarHBondContact O-N 3.36Å; L121-I161 HydrophobicContact CD1-CD1 3.72Å; L121-I161 HydrophobicContact CD1-CG1 3.96Å; L121-I161 HydrophobicContact CD1-CG2 4.48Å; L121-L164 HydrophobicContact CD2-CD1 4.44Å
122F91.4Very high88.6Confident3 Ų325.2 Ų25.21%0.01314%0.136CC..Hα-helixtrans-62.1-46.3178.9-171.9-78.7000111.3Y58 R62 I67 L118 Q119 A120 L124 L125 D126 L164 F169Y58-F122 HydrophobicContact CD2-CE2 4.33Å; Y58-F122 HydrophobicContact CD2-CZ 4.08Å; Y58-F122 HydrophobicContact CE1-CZ 4.49Å; Y58-F122 HydrophobicContact CE2-CE1 4.14Å; Y58-F122 AromaticContact CE2-CE2 3.76Å; Y58-F122 HydrophobicContact CE2-CE2 3.76Å; Y58-F122 AromaticContact CE2-CZ 3.2Å; Y58-F122 HydrophobicContact CE2-CZ 3.2Å; Y58-F122 AromaticContact CZ-CZ 3.45Å; Y58-F122 VanDerWaalsContact CZ-CZ 3.45Å; Y58-F122 WeakPolarHBondContact OH-CE1 3.43Å; Y58-F122 VanDerWaalsContact OH-CZ 3.31Å; Y58-F122 WeakPolarHBondContact OH-CZ 3.47Å; R62-F122 HydrophobicContact CG-CE1 4.17Å; R62-F122 HydrophobicContact CG-CE2 3.97Å; R62-F122 HydrophobicContact CG-CZ 3.44Å; R62-F122 VanDerWaalsContact CG-CZ 3.44Å; I67-F122 HydrophobicContact CD1-CB 3.92Å; I67-F122 HydrophobicContact CD1-CD2 3.57Å; I67-F122 HydrophobicContact CD1-CE2 4.11Å; I67-F122 HydrophobicContact CD1-CG 3.77Å; I67-F122 HydrophobicContact CG2-CB 4.19Å; I67-F122 HydrophobicContact CG2-CD1 3.37Å; I67-F122 HydrophobicContact CG2-CD2 4.22Å; I67-F122 HydrophobicContact CG2-CE1 3.62Å; I67-F122 HydrophobicContact CG2-CE2 4.41Å; I67-F122 HydrophobicContact CG2-CG 3.68Å; I67-F122 HydrophobicContact CG2-CZ 4.11Å; L118-F122 VanDerWaalsContact O-CB 3.23Å; L118-F122 WeakPolarHBondContact O-CB 3.39Å; L118-F122 PolarHBondContact O-N 3.22Å; Q119-F122 PolarHBondContact O-N 3.3Å; A120-F122 PolarHBondContact O-N 3.23Å; F122-L124 PolarHBondContact O-N 3.32Å; F122-L125 PolarHBondContact O-N 2.85Å; F122-D126 HydrophobicContact CD1-CB 4.43Å; F122-D126 HydrophobicContact CE1-CB 4.43Å; F122-D126 VanDerWaalsContact O-CB 3.3Å; F122-D126 WeakPolarHBondContact O-CB 3.35Å; F122-D126 PolarHBondContact O-N 3.46Å; F122-L164 HydrophobicContact CD2-CD1 4.34Å; F122-L164 HydrophobicContact CD2-CD2 3.87Å; F122-L164 HydrophobicContact CE2-CD2 3.95Å; F122-F169 HydrophobicContact CD2-CD2 4.13Å; F122-F169 HydrophobicContact CD2-CE2 4.21Å; F122-F169 HydrophobicContact CE1-CE2 4.47Å; F122-F169 AromaticContact CE2-CD2 3.85Å; F122-F169 HydrophobicContact CE2-CD2 3.85Å; F122-F169 HydrophobicContact CE2-CE2 4.07Å; F122-F169 HydrophobicContact CZ-CD2 4.34Å; F122-F169 HydrophobicContact CZ-CE2 4.22Å
123Y89.9Confident88.8Confident9 Ų928.3 Ų28.34%0.03515%0.149CC..Hα-helixtrans-57.1-51.9178.3-180-92.4000111.4L70 P72 L81 Q119 A120 L125 D126 R127 L241L70-Y123 HydrophobicContact CD1-CD2 4.35Å; P72-Y123 HydrophobicContact CB-CD2 4.39Å; P72-Y123 HydrophobicContact CB-CE1 4.18Å; P72-Y123 HydrophobicContact CB-CE2 3.9Å; P72-Y123 HydrophobicContact CG-CE2 3.83Å; L81-Y123 HydrophobicContact CD1-CD1 4.16Å; L81-Y123 HydrophobicContact CD2-CD1 3.69Å; L81-Y123 HydrophobicContact CD2-CG 4.31Å; Q119-Y123 VanDerWaalsContact O-CB 3.32Å; Q119-Y123 WeakPolarHBondContact O-CB 3.44Å; Q119-Y123 PolarHBondContact O-N 2.97Å; A120-Y123 PolarHBondContact O-N 3.36Å; Y123-L125 VanDerWaalsContact C-N 3.33Å; Y123-L125 PolarHBondContact O-N 2.87Å; Y123-D126 WeakPolarHBondContact O-CB 3.47Å; Y123-D126 PolarHBondContact O-N 2.88Å; Y123-D126 VanDerWaalsContact O-N 3.12Å; Y123-R127 HydrophobicContact CD1-CG 4.17Å; Y123-R127 HydrophobicContact CE1-CG 3.79Å; Y123-R127 WeakPolarHBondContact O-CG 3.45Å; Y123-R127 PolarHBondContact O-N 2.91Å; Y123-L241 HydrophobicContact CE1-CD2 3.88Å
124L90.7Very high89Confident3 Ų326.7 Ų26.72%0.01613%0.132CC..Hα-helixtrans-64-37.9-178.8-71.8169.6000112.3L81 F86 A120 L121 F122 A128 N237 L240L81-L124 HydrophobicContact CD2-CD1 3.86Å; L81-L124 HydrophobicContact CD2-CD2 4.13Å; L81-L124 HydrophobicContact CD2-CG 3.63Å; F86-L124 HydrophobicContact CD1-CB 3.82Å; F86-L124 HydrophobicContact CD1-CD1 3.69Å; F86-L124 HydrophobicContact CD1-CG 4.39Å; F86-L124 HydrophobicContact CE1-CB 3.74Å; F86-L124 HydrophobicContact CE1-CD1 4.47Å; F86-L124 WeakPolarHBondContact O-CD1 3.46Å; A120-L124 WeakPolarHBondContact O-CG 3.35Å; A120-L124 PolarHBondContact O-N 3.18Å; L121-L124 PolarHBondContact O-N 3.01Å; F122-L124 PolarHBondContact O-N 3.32Å; L124-A128 PolarHBondContact O-N 3.46Å; L124-N237 HydrophobicContact CD2-CB 4.38Å; L124-L240 HydrophobicContact CD2-CB 4.34Å; L124-L240 HydrophobicContact CD2-CD1 3.7Å
125L90.6Very high89.3Confident3 Ų325.8 Ų25.82%0.01613%0.127CC..Hα-helixtrans-65.9-41172.5-75178.3000112.4F86 A100 L121 F122 Y123 R127 A128 V129 L139 F141 F169F86-L125 HydrophobicContact CE1-CD2 4.19Å; F86-L125 HydrophobicContact CE1-CG 3.9Å; F86-L125 HydrophobicContact CZ-CD1 4.31Å; F86-L125 HydrophobicContact CZ-CD2 3.67Å; F86-L125 HydrophobicContact CZ-CG 3.7Å; A100-L125 HydrophobicContact CB-CD2 4.2Å; L121-L125 HydrophobicContact CD2-CD1 3.48Å; L121-L125 VanDerWaalsContact CD2-CD1 3.48Å; L121-L125 HydrophobicContact CD2-CG 4.33Å; L121-L125 HydrophobicContact CG-CD1 4.28Å; L121-L125 WeakPolarHBondContact O-CB 3.23Å; L121-L125 WeakPolarHBondContact O-CG 3.36Å; L121-L125 PolarHBondContact O-N 3.36Å; F122-L125 PolarHBondContact O-N 2.85Å; Y123-L125 VanDerWaalsContact C-N 3.33Å; Y123-L125 PolarHBondContact O-N 2.87Å; L125-R127 VanDerWaalsContact C-N 3.31Å; L125-R127 PolarHBondContact O-N 2.85Å; L125-A128 WeakPolarHBondContact O-CB 3.42Å; L125-A128 PolarHBondContact O-N 3.43Å; L125-A128 VanDerWaalsContact O-N 3.15Å; L125-V129 WeakPolarHBondContact O-CG2 3.33Å; L125-V129 PolarHBondContact O-N 2.81Å; L125-V129 VanDerWaalsContact O-N 3.09Å; L125-L139 HydrophobicContact CD2-CD1 3.94Å; L125-F141 HydrophobicContact CD1-CE1 4.2Å; L125-F141 HydrophobicContact CD1-CZ 3.66Å; L125-F141 HydrophobicContact CD2-CE1 4.12Å; L125-F141 HydrophobicContact CD2-CE2 4.34Å; L125-F141 HydrophobicContact CD2-CZ 3.52Å; L125-F141 HydrophobicContact CG-CZ 4.19Å; L125-F169 HydrophobicContact CB-CE1 3.85Å; L125-F169 HydrophobicContact CB-CE2 4.06Å; L125-F169 HydrophobicContact CB-CZ 3.48Å; L125-F169 VanDerWaalsContact CB-CZ 3.48Å
126D88.4Confident89.4Confident8 Ų827 Ų274%0.04313%0.127CC..Hα-helixtrans-62.4-41.5179-171.564.5000111K39 Y58 F122 Y123 V129 E130 F169K39-D126 IonicContact NZ-OD1 2.76Å; K39-D126 PolarHBondContact NZ-OD1 2.78Å; Y58-D126 PolarHBondContact OH-OD1 3.39Å; F122-D126 HydrophobicContact CD1-CB 4.43Å; F122-D126 HydrophobicContact CE1-CB 4.43Å; F122-D126 VanDerWaalsContact O-CB 3.3Å; F122-D126 WeakPolarHBondContact O-CB 3.35Å; F122-D126 PolarHBondContact O-N 3.46Å; Y123-D126 WeakPolarHBondContact O-CB 3.47Å; Y123-D126 PolarHBondContact O-N 2.88Å; Y123-D126 VanDerWaalsContact O-N 3.12Å; D126-V129 WeakPolarHBondContact O-CG2 3.47Å; D126-V129 PolarHBondContact O-N 2.9Å; D126-E130 PolarHBondContact O-N 2.8Å; D126-F169 HydrophobicContact CB-CZ 4.44Å
127R85.8Confident89.6Confident24 Ų2428.6 Ų28.69%0.09114%0.135CC..Hα-helixtrans-60.1-44.7170.7-63.3-5386.9-178.61.6112.1Y123 L125 V129 E130 L240 Q244Y123-R127 HydrophobicContact CD1-CG 4.17Å; Y123-R127 HydrophobicContact CE1-CG 3.79Å; Y123-R127 WeakPolarHBondContact O-CG 3.45Å; Y123-R127 PolarHBondContact O-N 2.91Å; L125-R127 VanDerWaalsContact C-N 3.31Å; L125-R127 PolarHBondContact O-N 2.85Å; R127-V129 PolarHBondContact O-N 3.14Å; R127-E130 IonicContact CZ-OE1 2.94Å; R127-E130 IonicContact CZ-OE2 3.66Å; R127-E130 IonicContact NE-OE1 2.93Å; R127-E130 VanDerWaalsContact NH1-CD 3.31Å; R127-E130 IonicContact NH1-OE1 3.49Å; R127-E130 PolarHBondContact NH1-OE1 3.3Å; R127-E130 IonicContact NH1-OE2 3.88Å; R127-E130 PolarHBondContact NH1-OE2 3.42Å; R127-E130 IonicContact NH2-OE1 3.92Å; R127-E130 PolarHBondContact NH2-OE1 3.06Å; R127-E130 VanDerWaalsContact NH2-OE1 3.16Å; R127-E130 WeakPolarHBondContact O-CB 3.37Å; R127-E130 PolarHBondContact O-N 3.28Å; R127-E130 VanDerWaalsContact O-N 3.09Å; R127-L240 HydrophobicContact CB-CD2 4.13Å; R127-L240 HydrophobicContact CG-CB 4.46Å; R127-Q244 VanDerWaalsContact NH1-CD 3.3Å; R127-Q244 VanDerWaalsContact NH1-NE2 3.14Å
128A86.2Confident89.6Confident10 Ų1028.4 Ų28.48%0.08313%0.134CC..Hα-helixtrans-60.4-34.918000000113.1V88 L124 L125 E130 T134V88-A128 HydrophobicContact CB-CB 4.43Å; V88-A128 HydrophobicContact CG1-CB 3.92Å; V88-A128 HydrophobicContact CG2-CB 3.89Å; L124-A128 PolarHBondContact O-N 3.46Å; L125-A128 WeakPolarHBondContact O-CB 3.42Å; L125-A128 PolarHBondContact O-N 3.43Å; L125-A128 VanDerWaalsContact O-N 3.15Å; A128-E130 VanDerWaalsContact C-N 3.33Å; A128-T134 WeakPolarHBondContact O-CB 3.45Å; A128-T134 WeakPolarHBondContact O-CG2 3.41Å; A128-T134 PolarHBondContact O-OG1 3.26Å
129V88.9Confident89.7Confident0 Ų028.5 Ų28.50%014%0.135CC..THydrogen-bonded Turntrans-87.35.1179-590000113.7K39 L125 D126 R127 T134 Q135 F169 A171K39-V129 HydrophobicContact CD-CG2 4.35Å; K39-V129 VanDerWaalsContact CE-CG2 3.44Å; L125-V129 WeakPolarHBondContact O-CG2 3.33Å; L125-V129 PolarHBondContact O-N 2.81Å; L125-V129 VanDerWaalsContact O-N 3.09Å; D126-V129 WeakPolarHBondContact O-CG2 3.47Å; D126-V129 PolarHBondContact O-N 2.9Å; R127-V129 PolarHBondContact O-N 3.14Å; V129-T134 HydrophobicContact CG1-CG2 3.98Å; V129-Q135 WeakPolarHBondContact O-CG 3.41Å; V129-Q135 PolarHBondContact O-NE2 3.42Å; V129-F169 HydrophobicContact CG1-CE1 3.88Å; V129-F169 HydrophobicContact CG1-CZ 4.47Å; V129-F169 HydrophobicContact CG2-CE1 4.15Å; V129-F169 HydrophobicContact CG2-CZ 4Å; V129-A171 HydrophobicContact CG1-CB 3.87Å
130E85.4Confident90Very high112 Ų11227 Ų2752%0.52313%0.128SC..THydrogen-bonded Turntrans-68.4-27.9163.4-66.1-172144.400111D126 R127 A128 F132D126-E130 PolarHBondContact O-N 2.8Å; R127-E130 IonicContact CZ-OE1 2.94Å; R127-E130 IonicContact CZ-OE2 3.66Å; R127-E130 IonicContact NE-OE1 2.93Å; R127-E130 VanDerWaalsContact NH1-CD 3.31Å; R127-E130 IonicContact NH1-OE1 3.49Å; R127-E130 PolarHBondContact NH1-OE1 3.3Å; R127-E130 IonicContact NH1-OE2 3.88Å; R127-E130 PolarHBondContact NH1-OE2 3.42Å; R127-E130 IonicContact NH2-OE1 3.92Å; R127-E130 PolarHBondContact NH2-OE1 3.06Å; R127-E130 VanDerWaalsContact NH2-OE1 3.16Å; R127-E130 WeakPolarHBondContact O-CB 3.37Å; R127-E130 PolarHBondContact O-N 3.28Å; R127-E130 VanDerWaalsContact O-N 3.09Å; A128-E130 VanDerWaalsContact C-N 3.33Å; E130-F132 PolarHBondContact O-N 3.37Å
131S86.1Confident90.2Very high45 Ų4527.4 Ų27.432%0.31513%0.129SC..SBendtrans-70.6122.2173.7175.80000111.3R92 E133 T134 Q135R92-S131 PolarHBondContact NH2-OG 3.09Å; S131-E133 PolarHBondContact O-N 3.2Å; S131-E133 PolarHBondContact OG-N 2.9Å; S131-T134 WeakPolarHBondContact O-CA 3.29Å; S131-T134 WeakPolarHBondContact O-CB 3.14Å; S131-T134 PolarHBondContact O-N 3.25Å; S131-Q135 WeakPolarHBondContact O-CG 3.32Å; S131-Q135 PolarHBondContact O-N 3.34Å
132F85.9Confident90.4Very high60 Ų6027.2 Ų27.226%0.26313%0.128SC..Hα-helixtrans-55.5-35.8174.3-172.1-89.4000112.6A3 M42 E130 T134 Q135 R136A3-F132 HydrophobicContact CB-CD1 4.26Å; A3-F132 HydrophobicContact CB-CE1 3.36Å; A3-F132 HydrophobicContact CB-CZ 3.56Å; M42-F132 HydrophobicContact CE-CD2 3.88Å; M42-F132 HydrophobicContact CE-CE1 3.88Å; M42-F132 HydrophobicContact CE-CE2 3.16Å; M42-F132 HydrophobicContact CE-CZ 3.17Å; M42-F132 HydrophobicContact SD-CE2 4.36Å; E130-F132 PolarHBondContact O-N 3.37Å; F132-T134 VanDerWaalsContact C-N 3.34Å; F132-Q135 PolarHBondContact O-N 2.98Å; F132-R136 WeakPolarHBondContact O-CB 3.5Å; F132-R136 PolarHBondContact O-N 3.31Å
133E88.9Confident90.6Very high90 Ų9029 Ų2942%0.42114%0.135SC..Hα-helixtrans-64.9-40.5176.7-168-179.5-17800111.1R92 S131 R136 N137R92-E133 VanDerWaalsContact CD-OE1 3.24Å; R92-E133 WeakPolarHBondContact CD-OE1 3.41Å; R92-E133 WeakPolarHBondContact CD-OE2 3.4Å; R92-E133 IonicContact CZ-OE2 2.88Å; R92-E133 IonicContact NE-OE1 3.06Å; R92-E133 IonicContact NE-OE2 3.01Å; R92-E133 PolarHBondContact NE-OE2 3.39Å; R92-E133 IonicContact NH2-OE2 3.44Å; S131-E133 PolarHBondContact O-N 3.2Å; S131-E133 PolarHBondContact OG-N 2.9Å; E133-R136 PolarHBondContact O-N 3.48Å; E133-N137 WeakPolarHBondContact CG-ND2 3.28Å; E133-N137 VanDerWaalsContact O-CB 3.26Å; E133-N137 WeakPolarHBondContact O-CB 3.42Å; E133-N137 PolarHBondContact O-N 3.47Å; E133-N137 PolarHBondContact O-ND2 3.18Å
134T90.7Very high91Very high1 Ų128.6 Ų28.61%0.00613%0.133CC..Hα-helixtrans-66.3-40.5173.2-54.40000111.9R92 A128 V129 S131 F132 R136 G138 L139R92-T134 PolarHBondContact NH1-OG1 3.28Å; R92-T134 PolarHBondContact NH2-OG1 3.1Å; A128-T134 WeakPolarHBondContact O-CB 3.45Å; A128-T134 WeakPolarHBondContact O-CG2 3.41Å; A128-T134 PolarHBondContact O-OG1 3.26Å; V129-T134 HydrophobicContact CG1-CG2 3.98Å; S131-T134 WeakPolarHBondContact O-CA 3.29Å; S131-T134 WeakPolarHBondContact O-CB 3.14Å; S131-T134 PolarHBondContact O-N 3.25Å; F132-T134 VanDerWaalsContact C-N 3.34Å; T134-R136 VanDerWaalsContact C-N 3.29Å; T134-R136 PolarHBondContact O-N 2.95Å; T134-G138 VanDerWaalsContact O-CA 3.26Å; T134-G138 WeakPolarHBondContact O-CA 3.41Å; T134-G138 PolarHBondContact O-N 2.87Å; T134-L139 HydrophobicContact CG2-CD2 3.57Å; T134-L139 HydrophobicContact CG2-CG 4.43Å
135Q90.9Very high91.2Very high20 Ų2028.4 Ų28.49%0.09313%0.132CC..Hα-helixtrans-61.6-39.6175-62.5173.71000111.4M42 V129 S131 F132 R172M42-Q135 HydrophobicContact CB-CB 4.19Å; M42-Q135 HydrophobicContact CG-CB 4.42Å; M42-Q135 HydrophobicContact SD-CB 3.47Å; M42-Q135 WeakPolarHBondContact SD-CB 3.33Å; V129-Q135 WeakPolarHBondContact O-CG 3.41Å; V129-Q135 PolarHBondContact O-NE2 3.42Å; S131-Q135 WeakPolarHBondContact O-CG 3.32Å; S131-Q135 PolarHBondContact O-N 3.34Å; F132-Q135 PolarHBondContact O-N 2.98Å; Q135-R172 PolarHBondContact O-NH2 3.32Å
136R89.4Confident91.4Very high129 Ų12929.7 Ų29.749%0.48714%0.143SC..Hα-helixtrans-75.8-35.4-179.4-170.1175.1-177.4113.5-1.5113.7M42 F132 E133 T134 R172M42-R136 HydrophobicContact SD-CB 4.32Å; F132-R136 WeakPolarHBondContact O-CB 3.5Å; F132-R136 PolarHBondContact O-N 3.31Å; E133-R136 PolarHBondContact O-N 3.48Å; T134-R136 VanDerWaalsContact C-N 3.29Å; T134-R136 PolarHBondContact O-N 2.95Å; R136-R172 PolarHBondContact O-NH1 3.07Å; R136-R172 PolarHBondContact O-NH2 3.41Å
137N92.3Very high91.6Very high36 Ų3632.7 Ų32.719%0.19318%0.176CC..Hα-helixtrans-109.9-10.5-171.9-63.6-34.3000113T95 G96 E133 K174T95-N137 WeakPolarHBondContact O-CB 3.46Å; T95-N137 VanDerWaalsContact O-CG 3.29Å; G96-N137 WeakPolarHBondContact O-CB 3.31Å; G96-N137 PolarHBondContact O-ND2 2.98Å; E133-N137 WeakPolarHBondContact CG-ND2 3.28Å; E133-N137 VanDerWaalsContact O-CB 3.26Å; E133-N137 WeakPolarHBondContact O-CB 3.42Å; E133-N137 PolarHBondContact O-N 3.47Å; E133-N137 PolarHBondContact O-ND2 3.18Å; N137-K174 WeakPolarHBondContact O-CD 3.4Å; N137-K174 WeakPolarHBondContact O-CE 3.28Å; N137-K174 PolarHBondContact O-NZ 2.82Å
138G93.4Very high92.1Very high0 Ų032.1 Ų32.10%018%0.176CC..  trans78-162.8176.300000114.3A97 S98 T134 R172A97-G138 WeakPolarHBondContact CA-O 3.32Å; S98-G138 PolarHBondContact N-O 3.33Å; T134-G138 VanDerWaalsContact O-CA 3.26Å; T134-G138 WeakPolarHBondContact O-CA 3.41Å; T134-G138 PolarHBondContact O-N 2.87Å; G138-R172 CarbonylContact C-O 3.54Å; G138-R172 WeakPolarHBondContact CA-O 3.46Å
139L93.9Very high92.5Very high3 Ų335.4 Ų35.42%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-123.1139.6-172.6-61.8174.4000111.3S98 L125 T134 F141 F169 A171 R172 K174S98-L139 CarbonylContact O-C 3.5Å; S98-L139 WeakPolarHBondContact O-CA 3.31Å; L125-L139 HydrophobicContact CD2-CD1 3.94Å; T134-L139 HydrophobicContact CG2-CD2 3.57Å; T134-L139 HydrophobicContact CG2-CG 4.43Å; L139-F141 HydrophobicContact CB-CD2 4.24Å; L139-F141 HydrophobicContact CB-CE2 3.91Å; L139-F141 HydrophobicContact CD1-CE2 3.84Å; L139-F141 HydrophobicContact CD1-CZ 4.33Å; L139-F169 HydrophobicContact CD1-CE1 4.44Å; L139-A171 HydrophobicContact CD1-CB 3.49Å; L139-A171 VanDerWaalsContact CD1-CB 3.49Å; L139-A171 HydrophobicContact CG-CB 3.96Å; L139-R172 PolarHBondContact N-O 3.24Å; L139-K174 PolarHBondContact O-N 3.28Å
140V95.7Very high92.7Very high2 Ų242.7 Ų42.71%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-109.8126.4163.1172.50000107.6A97 S98 I99 A100 K174 K175 L177 L216A97-V140 HydrophobicContact CB-CG2 4.02Å; S98-V140 PolarHBondContact O-N 3.37Å; I99-V140 CarbonylContact C-O 3.54Å; I99-V140 WeakPolarHBondContact CA-O 3.09Å; I99-V140 HydrophobicContact CG1-CB 4.48Å; A100-V140 PolarHBondContact N-O 3.06Å; V140-K174 HydrophobicContact CG2-CB 4.21Å; V140-K175 WeakPolarHBondContact CA-O 3.48Å; V140-K175 HydrophobicContact CG1-CB 4.28Å; V140-K175 HydrophobicContact CG2-CB 4.26Å; V140-L177 HydrophobicContact CG1-CD1 4.45Å; V140-L216 HydrophobicContact CG1-CD1 4.32Å
141F95.9Very high93.1Very high13 Ų1342 Ų426%0.05722%0.224CC..EExtended strand (participates in β ladder)trans-100.5133.4174.9-83.2-100.4000110.5F86 A100 L125 L139 L165 L173 K175 V176 L177F86-F141 HydrophobicContact CE2-CD1 4.38Å; F86-F141 AromaticContact CE2-CE1 3.88Å; F86-F141 HydrophobicContact CE2-CE1 3.88Å; F86-F141 HydrophobicContact CZ-CE1 4.03Å; A100-F141 HydrophobicContact CB-CD1 3.88Å; A100-F141 HydrophobicContact CB-CE1 3.83Å; A100-F141 HydrophobicContact CB-CE2 4.48Å; A100-F141 HydrophobicContact CB-CG 4.26Å; A100-F141 HydrophobicContact CB-CZ 4.16Å; A100-F141 CarbonylContact O-C 3.58Å; A100-F141 WeakPolarHBondContact O-CA 3.29Å; L125-F141 HydrophobicContact CD1-CE1 4.2Å; L125-F141 HydrophobicContact CD1-CZ 3.66Å; L125-F141 HydrophobicContact CD2-CE1 4.12Å; L125-F141 HydrophobicContact CD2-CE2 4.34Å; L125-F141 HydrophobicContact CD2-CZ 3.52Å; L125-F141 HydrophobicContact CG-CZ 4.19Å; L139-F141 HydrophobicContact CB-CD2 4.24Å; L139-F141 HydrophobicContact CB-CE2 3.91Å; L139-F141 HydrophobicContact CD1-CE2 3.84Å; L139-F141 HydrophobicContact CD1-CZ 4.33Å; F141-L165 HydrophobicContact CD2-CD2 4.13Å; F141-L165 HydrophobicContact CE1-CD2 4.41Å; F141-L165 HydrophobicContact CE2-CD2 3.47Å; F141-L165 VanDerWaalsContact CE2-CD2 3.47Å; F141-L165 HydrophobicContact CZ-CD2 3.62Å; F141-L173 HydrophobicContact CD2-CD1 3.53Å; F141-L173 HydrophobicContact CE2-CD1 4.08Å; F141-K175 PolarHBondContact N-O 2.77Å; F141-V176 HydrophobicContact CB-CG1 4.29Å; F141-V176 HydrophobicContact CB-CG2 4.27Å; F141-V176 CarbonylContact O-C 3.4Å; F141-V176 WeakPolarHBondContact O-CA 3.43Å; F141-L177 PolarHBondContact O-N 3.42Å
142I97.3Very high93.5Very high1 Ų140.1 Ų40.11%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-111.6117.2167.7-56.6177.6000106.7I99 A100 L101 Y102 L177 V179 L216 L221 L225I99-I142 HydrophobicContact CG2-CD1 3.6Å; I99-I142 HydrophobicContact CG2-CG1 4Å; A100-I142 PolarHBondContact O-N 2.87Å; L101-I142 WeakPolarHBondContact CA-O 3.3Å; L101-I142 HydrophobicContact CD1-CB 3.79Å; L101-I142 HydrophobicContact CD1-CG2 3.62Å; Y102-I142 PolarHBondContact N-O 3.09Å; I142-L177 CarbonylContact C-O 3.52Å; I142-L177 WeakPolarHBondContact CA-O 3.46Å; I142-V179 HydrophobicContact CG2-CG2 3.75Å; I142-L216 HydrophobicContact CD1-CD1 3.72Å; I142-L216 HydrophobicContact CG1-CD1 4.27Å; I142-L221 HydrophobicContact CD1-CD2 3.9Å; I142-L225 HydrophobicContact CG2-CD1 4.01Å
143Y97.1Very high93.9Very high39 Ų3938.1 Ų38.115%0.15320%0.202CC..EExtended strand (participates in β ladder)trans-101.794.6169.2-176.1-140.5000107.9Y102 A104 M145 L177 I178 V179 F185Y102-Y143 AromaticContact CD1-CD2 3.6Å; Y102-Y143 HydrophobicContact CD1-CD2 3.6Å; Y102-Y143 AromaticContact CD1-CE2 3.42Å; Y102-Y143 HydrophobicContact CD1-CE2 3.42Å; Y102-Y143 VanDerWaalsContact CD1-CE2 3.42Å; Y102-Y143 HydrophobicContact CE1-CD2 4.44Å; Y102-Y143 AromaticContact CE1-CE2 3.83Å; Y102-Y143 HydrophobicContact CE1-CE2 3.83Å; Y102-Y143 HydrophobicContact CG-CD2 4.12Å; Y102-Y143 HydrophobicContact CG-CE2 4.31Å; A104-Y143 HydrophobicContact CB-CD2 4.48Å; A104-Y143 HydrophobicContact CB-CE2 3.65Å; Y143-M145 HydrophobicContact CD1-CG 3.64Å; Y143-M145 HydrophobicContact CD1-SD 3.84Å; Y143-M145 HydrophobicContact CE1-CE 3.84Å; Y143-M145 HydrophobicContact CE1-CG 3.49Å; Y143-M145 VanDerWaalsContact CE1-CG 3.49Å; Y143-M145 HydrophobicContact CE1-SD 3.43Å; Y143-M145 WeakPolarHBondContact CE1-SD 3.28Å; Y143-M145 HydrophobicContact CE2-CG 4.4Å; Y143-M145 HydrophobicContact CG-CG 4.16Å; Y143-M145 PolarHBondContact O-N 2.79Å; Y143-L177 PolarHBondContact N-O 2.86Å; Y143-I178 HydrophobicContact CD1-CG1 4.38Å; Y143-I178 HydrophobicContact CD1-CG2 3.99Å; Y143-V179 PolarHBondContact O-N 2.83Å; Y143-F185 HydrophobicContact CE1-CE2 4.24Å; Y143-F185 HydrophobicContact CE1-CZ 4.12Å
144D97.1Very high94Very high1 Ų135.8 Ų35.81%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-77.5108.1177175.428.6000109.9L101 Y102 A104 A146 H224 L225L101-D144 HydrophobicContact CD1-CB 4.12Å; Y102-D144 PolarHBondContact O-N 3.4Å; A104-D144 VanDerWaalsContact CB-O 3.24Å; A104-D144 WeakPolarHBondContact CB-O 3.42Å; A104-D144 PolarHBondContact N-O 3.34Å; D144-A146 WeakPolarHBondContact OD1-CB 3.46Å; D144-A146 PolarHBondContact OD1-N 3.42Å; D144-H224 IonicContact OD2-CD2 3.97Å; D144-H224 IonicContact OD2-NE2 3.75Å; D144-L225 HydrophobicContact CB-CD2 4.21Å
145M96.4Very high93.9Very high0 Ų038.5 Ų38.50%021%0.205CC..  trans-100.12.4177.1-61.5-165.378.900112.9A104 Y143 G147 S148 I178 V179 A181 W184 F185A104-M145 HydrophobicContact CB-CG 4.39Å; Y143-M145 HydrophobicContact CD1-CG 3.64Å; Y143-M145 HydrophobicContact CD1-SD 3.84Å; Y143-M145 HydrophobicContact CE1-CE 3.84Å; Y143-M145 HydrophobicContact CE1-CG 3.49Å; Y143-M145 VanDerWaalsContact CE1-CG 3.49Å; Y143-M145 HydrophobicContact CE1-SD 3.43Å; Y143-M145 WeakPolarHBondContact CE1-SD 3.28Å; Y143-M145 HydrophobicContact CE2-CG 4.4Å; Y143-M145 HydrophobicContact CG-CG 4.16Å; Y143-M145 PolarHBondContact O-N 2.79Å; M145-G147 PolarHBondContact O-N 3.07Å; M145-S148 WeakPolarHBondContact O-CB 3.43Å; M145-S148 PolarHBondContact O-N 3.31Å; M145-S148 PolarHBondContact O-OG 3.42Å; M145-I178 HydrophobicContact CG-CG2 4.09Å; M145-I178 HydrophobicContact SD-CG2 3.63Å; M145-V179 WeakPolarHBondContact CB-O 3.39Å; M145-V179 PolarHBondContact N-O 3.34Å; M145-A181 HydrophobicContact SD-CB 4.01Å; M145-W184 HydrophobicContact CE-CH2 3.59Å; M145-W184 HydrophobicContact CE-CZ2 3.89Å; M145-W184 HydrophobicContact CE-CZ3 4.48Å; M145-F185 HydrophobicContact CE-CB 3.97Å; M145-F185 HydrophobicContact CE-CD1 4.19Å; M145-F185 HydrophobicContact CE-CD2 3.31Å; M145-F185 HydrophobicContact CE-CE2 3.76Å; M145-F185 HydrophobicContact CE-CG 3.55Å; M145-F185 HydrophobicContact CE-CZ 4.36Å; M145-F185 HydrophobicContact SD-CB 4.3Å; M145-F185 HydrophobicContact SD-CD1 3.61Å; M145-F185 HydrophobicContact SD-CD2 3.82Å; M145-F185 HydrophobicContact SD-CE1 3.79Å; M145-F185 HydrophobicContact SD-CE2 3.97Å; M145-F185 HydrophobicContact SD-CG 3.62Å; M145-F185 HydrophobicContact SD-CZ 3.95Å
146A93.9Very high93.7Very high30 Ų3041.9 Ų41.925%0.24822%0.224CC..THydrogen-bonded Turntrans-62.4126.4-177.800000111.1D144 S148 M209D144-A146 WeakPolarHBondContact OD1-CB 3.46Å; D144-A146 PolarHBondContact OD1-N 3.42Å; A146-S148 PolarHBondContact O-N 3.32Å; A146-M209 HydrophobicContact CB-CE 3.53Å
147G93.3Very high93.7Very high71 Ų7136 Ų3673%0.73220%0.202SC*.THydrogen-bonded Turntrans72.48.1-177.200000114.9M145M145-G147 PolarHBondContact O-N 3.07Å
148S95.9Very high93.7Very high11 Ų1135.3 Ų35.38%0.07720%0.2CC..  trans-80.2151.1171.2700000111.9M145 A146M145-S148 WeakPolarHBondContact O-CB 3.43Å; M145-S148 PolarHBondContact O-N 3.31Å; M145-S148 PolarHBondContact O-OG 3.42Å; A146-S148 PolarHBondContact O-N 3.32Å
149N94.9Very high93.4Very high79 Ų7938.7 Ų38.742%0.42222%0.215SC..  trans-122.4175.1172.766.466.2000110.6T151 N152N149-T151 PolarHBondContact O-N 2.88Å; N149-T151 VanDerWaalsContact O-N 3.15Å; N149-T151 WeakPolarHBondContact OD1-CB 3.35Å; N149-T151 PolarHBondContact OD1-N 2.88Å; N149-T151 PolarHBondContact OD1-OG1 2.8Å; N149-N152 PolarHBondContact N-OD1 2.81Å; N149-N152 PolarHBondContact ND2-OD1 3.16Å; N149-N152 WeakPolarHBondContact O-CB 3.41Å; N149-N152 PolarHBondContact O-N 2.88Å; N149-N152 PolarHBondContact O-OD1 2.9Å
150Y93Very high93.2Very high153 Ų15341.6 Ų41.660%0.623%0.227SC*.G310 helixtrans-59.2-29.6-175.3-170.3-94.7000113.2N152 F153 W184Y150-N152 PolarHBondContact O-N 2.65Å; Y150-F153 PolarHBondContact O-N 2.81Å; Y150-F153 VanDerWaalsContact O-N 3.14Å; Y150-W184 HydrophobicContact CD2-CD2 4.09Å; Y150-W184 AromaticContact CD2-CE3 3.59Å; Y150-W184 HydrophobicContact CD2-CE3 3.59Å; Y150-W184 HydrophobicContact CD2-CZ3 4.08Å; Y150-W184 HydrophobicContact CE2-CE3 4.28Å
151T93.8Very high92.9Very high97 Ų9743 Ų4360%0.59523%0.234SC*.G310 helixtrans-73.1-14.3179.672.60000113.2P109 N149 F153P109-T151 WeakPolarHBondContact CD-O 3.3Å; P109-T151 VanDerWaalsContact CG-O 3.28Å; P109-T151 WeakPolarHBondContact CG-O 3.42Å; N149-T151 PolarHBondContact O-N 2.88Å; N149-T151 VanDerWaalsContact O-N 3.15Å; N149-T151 WeakPolarHBondContact OD1-CB 3.35Å; N149-T151 PolarHBondContact OD1-N 2.88Å; N149-T151 PolarHBondContact OD1-OG1 2.8Å; T151-F153 VanDerWaalsContact C-N 3.3Å
152N94.9Very high92.5Very high7 Ų743.5 Ų43.54%0.03724%0.237CC..G310 helixtrans-82.1-5.8172-59.1119000113A104 K105 H107 N149 Y150A104-N152 WeakPolarHBondContact O-CB 3.03Å; K105-N152 PolarHBondContact O-ND2 2.69Å; H107-N152 PolarHBondContact CD2-O 2.75Å; H107-N152 PolarHBondContact O-ND2 3.38Å; N149-N152 PolarHBondContact N-OD1 2.81Å; N149-N152 PolarHBondContact ND2-OD1 3.16Å; N149-N152 WeakPolarHBondContact O-CB 3.41Å; N149-N152 PolarHBondContact O-N 2.88Å; N149-N152 PolarHBondContact O-OD1 2.9Å; Y150-N152 PolarHBondContact O-N 2.65Å
153F93.5Very high91.9Very high17 Ų1747.2 Ų47.28%0.07526%0.257CS..  trans-109.7132.3-170.8178.6-98.4000112.6Y150 T151 L155 S158 W184 F185 P188 L192Y150-F153 PolarHBondContact O-N 2.81Å; Y150-F153 VanDerWaalsContact O-N 3.14Å; T151-F153 VanDerWaalsContact C-N 3.3Å; F153-L155 HydrophobicContact CE1-CB 3.95Å; F153-L155 HydrophobicContact CE1-CD1 4.26Å; F153-L155 HydrophobicContact CZ-CB 4.4Å; F153-L155 HydrophobicContact CZ-CD1 4.15Å; F153-S158 WeakPolarHBondContact CE2-OG 3.41Å; F153-W184 HydrophobicContact CB-CH2 3.53Å; F153-W184 HydrophobicContact CB-CZ3 3.79Å; F153-W184 HydrophobicContact CD1-CZ3 4.14Å; F153-W184 HydrophobicContact CD2-CH2 4.28Å; F153-W184 HydrophobicContact CD2-CZ3 4.35Å; F153-W184 AromaticContact CG-CH2 3.92Å; F153-W184 HydrophobicContact CG-CH2 3.92Å; F153-W184 AromaticContact CG-CZ3 3.82Å; F153-W184 HydrophobicContact CG-CZ3 3.82Å; F153-F185 HydrophobicContact CD2-CD2 4.37Å; F153-F185 HydrophobicContact CD2-CE2 4.05Å; F153-F185 HydrophobicContact CE2-CD2 4.27Å; F153-F185 AromaticContact CE2-CE2 3.63Å; F153-F185 HydrophobicContact CE2-CE2 3.63Å; F153-F185 HydrophobicContact CZ-CE2 4.26Å; F153-P188 HydrophobicContact CD1-CB 4.43Å; F153-P188 HydrophobicContact CD1-CG 4.31Å; F153-P188 HydrophobicContact CE1-CB 3.54Å; F153-P188 HydrophobicContact CE1-CG 3.82Å; F153-P188 HydrophobicContact CE2-CB 4.46Å; F153-P188 HydrophobicContact CZ-CB 3.56Å; F153-P188 HydrophobicContact CZ-CG 4.3Å; F153-L192 HydrophobicContact CZ-CD1 4.31Å
154E90.8Very high91.3Very high42 Ų4245.6 Ų45.620%0.19625%0.251CS..  trans-124.3118.3172.3-75.5179.498.700110.5H107 P109 N114 D156 L157 S158H107-E154 IonicContact CD2-OE2 3.67Å; H107-E154 IonicContact CE1-OE2 3.49Å; H107-E154 PolarHBondContact CE1-OE2 2.88Å; H107-E154 IonicContact NE2-OE2 2.75Å; H107-E154 PolarHBondContact NE2-OE2 2.91Å; P109-E154 WeakPolarHBondContact CA-OE2 3.14Å; P109-E154 HydrophobicContact CB-CG 3.81Å; P109-E154 VanDerWaalsContact CB-OE2 3.24Å; P109-E154 WeakPolarHBondContact CB-OE2 3.45Å; P109-E154 HydrophobicContact CG-CG 3.57Å; P109-E154 VanDerWaalsContact CG-OE2 3.29Å; P109-E154 WeakPolarHBondContact CG-OE2 3.13Å; N114-E154 VanDerWaalsContact CG-OE1 3.25Å; N114-E154 PolarHBondContact ND2-OE1 3.44Å; N114-E154 PolarHBondContact OD1-OE1 3.13Å; N114-E154 VanDerWaalsContact OD1-OE1 3.09Å; N114-E154 PolarHBondContact OD1-OE2 3.35Å; E154-D156 VanDerWaalsContact C-N 3.32Å; E154-D156 PolarHBondContact O-N 2.89Å; E154-L157 HydrophobicContact CB-CB 3.97Å; E154-S158 WeakPolarHBondContact O-CB 3.43Å; E154-S158 PolarHBondContact O-N 3.15Å; E154-S158 VanDerWaalsContact O-N 3.09Å; E154-S158 PolarHBondContact O-OG 3.38Å
155L88.5Confident90.5Very high57 Ų5747.2 Ų47.230%0.29826%0.26SS..Hα-helixtrans-63.6-40.5-178.3-178.162.1000111.4F153 S158 K159 L192F153-L155 HydrophobicContact CE1-CB 3.95Å; F153-L155 HydrophobicContact CE1-CD1 4.26Å; F153-L155 HydrophobicContact CZ-CB 4.4Å; F153-L155 HydrophobicContact CZ-CD1 4.15Å; L155-S158 WeakPolarHBondContact O-CB 3.36Å; L155-S158 PolarHBondContact O-N 3.23Å; L155-K159 WeakPolarHBondContact O-CG 3.46Å; L155-K159 PolarHBondContact O-N 2.87Å; L155-L192 HydrophobicContact CD1-CD2 3.93Å; L155-L192 HydrophobicContact CD1-CG 4.04Å
156D87Confident89.6Confident92 Ų9251.4 Ų51.449%0.49228%0.278SS..Hα-helixtrans-72.6-38.8-176.4-69-23.8000112.6E154 S158 K159 K160E154-D156 VanDerWaalsContact C-N 3.32Å; E154-D156 PolarHBondContact O-N 2.89Å; D156-S158 VanDerWaalsContact C-N 3.3Å; D156-S158 PolarHBondContact O-N 2.95Å; D156-K159 PolarHBondContact O-N 2.61Å; D156-K159 IonicContact OD1-NZ 3.85Å; D156-K159 PolarHBondContact OD1-NZ 3.28Å; D156-K160 WeakPolarHBondContact O-CG 3.47Å; D156-K160 PolarHBondContact O-N 3.05Å
157L90.1Very high89Confident5 Ų550.7 Ų50.73%0.02627%0.274CS..Hα-helixtrans-58.8-44.7169.5-179.659.5000111.1N114 V117 L118 E154 K159 K160 I161N114-L157 WeakPolarHBondContact OD1-CB 3.44Å; V117-L157 HydrophobicContact CB-CD1 4.48Å; V117-L157 HydrophobicContact CB-CD2 4.29Å; V117-L157 HydrophobicContact CG1-CD1 4.45Å; V117-L157 HydrophobicContact CG1-CD2 3.84Å; L118-L157 HydrophobicContact CB-CD1 4.32Å; L118-L157 HydrophobicContact CD1-CD1 4.39Å; E154-L157 HydrophobicContact CB-CB 3.97Å; L157-K159 VanDerWaalsContact C-N 3.34Å; L157-K159 PolarHBondContact O-N 2.84Å; L157-K160 PolarHBondContact O-N 3.05Å; L157-K160 VanDerWaalsContact O-N 3.12Å; L157-I161 HydrophobicContact CD1-CD1 4.09Å; L157-I161 HydrophobicContact CD1-CG1 4.25Å; L157-I161 HydrophobicContact CG-CD1 3.89Å; L157-I161 HydrophobicContact CG-CG1 4.46Å; L157-I161 WeakPolarHBondContact O-CG1 3.23Å; L157-I161 PolarHBondContact O-N 3.34Å
158S90.6Very high88.6Confident22 Ų2247.7 Ų47.715%0.15424%0.242CC..Hα-helixtrans-61-40.6178.4-580000112.2F153 E154 L155 D156 L162F153-S158 WeakPolarHBondContact CE2-OG 3.41Å; E154-S158 WeakPolarHBondContact O-CB 3.43Å; E154-S158 PolarHBondContact O-N 3.15Å; E154-S158 VanDerWaalsContact O-N 3.09Å; E154-S158 PolarHBondContact O-OG 3.38Å; L155-S158 WeakPolarHBondContact O-CB 3.36Å; L155-S158 PolarHBondContact O-N 3.23Å; D156-S158 VanDerWaalsContact C-N 3.3Å; D156-S158 PolarHBondContact O-N 2.95Å; S158-L162 VanDerWaalsContact O-CB 3.24Å; S158-L162 WeakPolarHBondContact O-CB 3.26Å; S158-L162 PolarHBondContact O-N 2.75Å
159K88.7Confident88.4Confident71 Ų7147.6 Ų47.631%0.30924%0.24SC..Hα-helixtrans-62.4-42.6173.3-70.5171.1-170.6152.90111.8L155 D156 L157 L162 N163 L192 L195L155-K159 WeakPolarHBondContact O-CG 3.46Å; L155-K159 PolarHBondContact O-N 2.87Å; D156-K159 PolarHBondContact O-N 2.61Å; D156-K159 IonicContact OD1-NZ 3.85Å; D156-K159 PolarHBondContact OD1-NZ 3.28Å; L157-K159 VanDerWaalsContact C-N 3.34Å; L157-K159 PolarHBondContact O-N 2.84Å; K159-L162 PolarHBondContact O-N 3.44Å; K159-N163 WeakPolarHBondContact O-CB 3.44Å; K159-N163 VanDerWaalsContact O-CG 3.24Å; K159-N163 PolarHBondContact O-N 3.32Å; K159-N163 PolarHBondContact O-ND2 3.2Å; K159-L192 HydrophobicContact CG-CD2 3.87Å; K159-L195 HydrophobicContact CG-CD1 4Å
160K89.2Confident88.3Confident64 Ų6443.9 Ų43.928%0.27822%0.221SC..Hα-helixtrans-64.6-47.1178.9-70.2179.4178-156.20111.8E65 L118 D156 L157 L162 N163 L164E65-K160 WeakPolarHBondContact OE2-CD 3.47Å; E65-K160 VanDerWaalsContact OE2-CE 3.24Å; E65-K160 WeakPolarHBondContact OE2-CE 3.35Å; E65-K160 IonicContact OE2-NZ 3.75Å; E65-K160 PolarHBondContact OE2-NZ 2.72Å; L118-K160 HydrophobicContact CD1-CB 4.23Å; L118-K160 HydrophobicContact CD2-CB 4.05Å; L118-K160 HydrophobicContact CD2-CD 3.92Å; D156-K160 WeakPolarHBondContact O-CG 3.47Å; D156-K160 PolarHBondContact O-N 3.05Å; L157-K160 PolarHBondContact O-N 3.05Å; L157-K160 VanDerWaalsContact O-N 3.12Å; K160-L162 VanDerWaalsContact C-N 3.3Å; K160-L162 PolarHBondContact O-N 2.96Å; K160-N163 PolarHBondContact O-N 3.48Å; K160-L164 PolarHBondContact O-N 3.3Å
161I89.9Confident88.2Confident31 Ų3137.2 Ų37.216%0.15920%0.197CC..Hα-helixtrans-59.2-44.2173.9-65.6170.2000110.2L118 L121 L157 N163 L164 L165L118-I161 HydrophobicContact CD1-CG1 4.11Å; L121-I161 HydrophobicContact CD1-CD1 3.72Å; L121-I161 HydrophobicContact CD1-CG1 3.96Å; L121-I161 HydrophobicContact CD1-CG2 4.48Å; L157-I161 HydrophobicContact CD1-CD1 4.09Å; L157-I161 HydrophobicContact CD1-CG1 4.25Å; L157-I161 HydrophobicContact CG-CD1 3.89Å; L157-I161 HydrophobicContact CG-CG1 4.46Å; L157-I161 WeakPolarHBondContact O-CG1 3.23Å; L157-I161 PolarHBondContact O-N 3.34Å; I161-N163 VanDerWaalsContact C-N 3.34Å; I161-N163 PolarHBondContact O-N 3.18Å; I161-L164 WeakPolarHBondContact O-CB 3.45Å; I161-L164 PolarHBondContact O-N 3.09Å; I161-L165 HydrophobicContact CG2-CD1 4.08Å; I161-L165 HydrophobicContact CG2-CG 4.47Å; I161-L165 WeakPolarHBondContact O-CG 3.13Å; I161-L165 PolarHBondContact O-N 3.39Å
162L86.6Confident88.1Confident23 Ų2335.9 Ų35.912%0.1218%0.181CC..Hα-helixtrans-60.8-43.2177.9-167.665.1000112S158 K159 K160 L165 K166 L195 L196S158-L162 VanDerWaalsContact O-CB 3.24Å; S158-L162 WeakPolarHBondContact O-CB 3.26Å; S158-L162 PolarHBondContact O-N 2.75Å; K159-L162 PolarHBondContact O-N 3.44Å; K160-L162 VanDerWaalsContact C-N 3.3Å; K160-L162 PolarHBondContact O-N 2.96Å; L162-L165 PolarHBondContact O-N 3.3Å; L162-K166 WeakPolarHBondContact O-CB 3.35Å; L162-K166 PolarHBondContact O-N 3.28Å; L162-L195 HydrophobicContact CD2-CB 4.01Å; L162-L195 HydrophobicContact CD2-CD1 4.47Å; L162-L196 HydrophobicContact CD1-CD2 3.41Å; L162-L196 VanDerWaalsContact CD1-CD2 3.41Å; L162-L196 HydrophobicContact CD1-CG 4.34Å; L162-L196 HydrophobicContact CD2-CD2 3.81Å; L162-L196 HydrophobicContact CD2-CG 4.19Å; L162-L196 HydrophobicContact CG-CD2 3.86Å
163N84.4Confident87.9Confident79 Ų7936.1 Ų36.142%0.42218%0.182SC..Hα-helixtrans-63.6-40.8177.5-73.3-25.4000112.2K159 K160 I161 L165 K166K159-N163 WeakPolarHBondContact O-CB 3.44Å; K159-N163 VanDerWaalsContact O-CG 3.24Å; K159-N163 PolarHBondContact O-N 3.32Å; K159-N163 PolarHBondContact O-ND2 3.2Å; K160-N163 PolarHBondContact O-N 3.48Å; I161-N163 VanDerWaalsContact C-N 3.34Å; I161-N163 PolarHBondContact O-N 3.18Å; N163-L165 VanDerWaalsContact C-N 3.35Å; N163-L165 PolarHBondContact O-N 3.26Å; N163-K166 WeakPolarHBondContact O-CB 2.99Å; N163-K166 PolarHBondContact O-N 2.88Å; N163-K166 VanDerWaalsContact O-N 3.16Å
164L85Confident87.9Confident5 Ų539 Ų393%0.02620%0.195CC..Iπ-helixtrans-55.1-51.2171.2-78.5170000110.9T61 L118 L121 F122 K160 I161 K166 G167 A168 F169T61-L164 HydrophobicContact CG2-CD2 3.54Å; T61-L164 HydrophobicContact CG2-CG 4.27Å; L118-L164 HydrophobicContact CD1-CD1 3.54Å; L118-L164 HydrophobicContact CG-CD1 4.32Å; L121-L164 HydrophobicContact CD2-CD1 4.44Å; F122-L164 HydrophobicContact CD2-CD1 4.34Å; F122-L164 HydrophobicContact CD2-CD2 3.87Å; F122-L164 HydrophobicContact CE2-CD2 3.95Å; K160-L164 PolarHBondContact O-N 3.3Å; I161-L164 WeakPolarHBondContact O-CB 3.45Å; I161-L164 PolarHBondContact O-N 3.09Å; L164-K166 PolarHBondContact O-N 3.47Å; L164-G167 PolarHBondContact O-N 2.68Å; L164-A168 PolarHBondContact O-N 2.87Å; L164-A168 VanDerWaalsContact O-N 3.16Å; L164-F169 PolarHBondContact O-N 3.22Å; L164-F169 VanDerWaalsContact O-N 3.13Å
165L79.8Confident88Confident35 Ų3539.7 Ų39.718%0.18320%0.197CC..Iπ-helixtrans-66.1-22.9179.7-65.6178000113.7F141 I161 L162 N163 G167 L173F141-L165 HydrophobicContact CD2-CD2 4.13Å; F141-L165 HydrophobicContact CE1-CD2 4.41Å; F141-L165 HydrophobicContact CE2-CD2 3.47Å; F141-L165 VanDerWaalsContact CE2-CD2 3.47Å; F141-L165 HydrophobicContact CZ-CD2 3.62Å; I161-L165 HydrophobicContact CG2-CD1 4.08Å; I161-L165 HydrophobicContact CG2-CG 4.47Å; I161-L165 WeakPolarHBondContact O-CG 3.13Å; I161-L165 PolarHBondContact O-N 3.39Å; L162-L165 PolarHBondContact O-N 3.3Å; N163-L165 VanDerWaalsContact C-N 3.35Å; N163-L165 PolarHBondContact O-N 3.26Å; L165-G167 VanDerWaalsContact C-N 3.33Å; L165-G167 PolarHBondContact O-N 3.03Å; L165-L173 HydrophobicContact CB-CD2 3.95Å; L165-L173 HydrophobicContact CD1-CD2 4.26Å; L165-L173 HydrophobicContact CD2-CD1 4.47Å; L165-L173 HydrophobicContact CD2-CD2 4.31Å; L165-L173 HydrophobicContact CG-CD2 4.4Å
166K78.3Confident88.3Confident88 Ų8837.8 Ų37.838%0.38319%0.188SC..Iπ-helixtrans-78.2-13.1-175-143.2177.5174.3-167.50114.5L162 N163 L164 L195 L200L162-K166 WeakPolarHBondContact O-CB 3.35Å; L162-K166 PolarHBondContact O-N 3.28Å; N163-K166 WeakPolarHBondContact O-CB 2.99Å; N163-K166 PolarHBondContact O-N 2.88Å; N163-K166 VanDerWaalsContact O-N 3.16Å; L164-K166 PolarHBondContact O-N 3.47Å; K166-L195 WeakPolarHBondContact CE-O 3.44Å; K166-L195 PolarHBondContact NZ-O 2.86Å; K166-L200 HydrophobicContact CB-CD2 4.28Å; K166-L200 HydrophobicContact CG-CD2 3.7Å
167G80.2Confident88.8Confident16 Ų1633.4 Ų33.417%0.16517%0.165CC..Iπ-helixtrans1509.1-179.500000116L54 L164 L165L54-G167 WeakPolarHBondContact CD1-O 3.27Å; L164-G167 PolarHBondContact O-N 2.68Å; L165-G167 VanDerWaalsContact C-N 3.33Å; L165-G167 PolarHBondContact O-N 3.03Å
168A86.1Confident89.1Confident8 Ų833.7 Ų33.77%0.06617%0.166CC..Iπ-helixtrans-108.39.4178.900000113.1Y58 T61 L164Y58-A168 VanDerWaalsContact CD2-O 3.3Å; Y58-A168 WeakPolarHBondContact CD2-O 3.32Å; T61-A168 HydrophobicContact CG2-CB 4.25Å; T61-A168 VanDerWaalsContact OG1-CB 3.22Å; T61-A168 WeakPolarHBondContact OG1-CB 3.2Å; L164-A168 PolarHBondContact O-N 2.87Å; L164-A168 VanDerWaalsContact O-N 3.16Å
169F91.8Very high89.4Confident9 Ų932.6 Ų32.64%0.03916%0.158CC..SBendtrans-128.9134.5174.2-165.7-99000110.8Y58 F122 L125 D126 V129 L139 L164 A171Y58-F169 HydrophobicContact CD2-CD2 4.5Å; Y58-F169 AromaticContact CE2-CD2 3.99Å; Y58-F169 HydrophobicContact CE2-CD2 3.99Å; Y58-F169 HydrophobicContact CE2-CE2 4.18Å; F122-F169 HydrophobicContact CD2-CD2 4.13Å; F122-F169 HydrophobicContact CD2-CE2 4.21Å; F122-F169 HydrophobicContact CE1-CE2 4.47Å; F122-F169 AromaticContact CE2-CD2 3.85Å; F122-F169 HydrophobicContact CE2-CD2 3.85Å; F122-F169 HydrophobicContact CE2-CE2 4.07Å; F122-F169 HydrophobicContact CZ-CD2 4.34Å; F122-F169 HydrophobicContact CZ-CE2 4.22Å; L125-F169 HydrophobicContact CB-CE1 3.85Å; L125-F169 HydrophobicContact CB-CE2 4.06Å; L125-F169 HydrophobicContact CB-CZ 3.48Å; L125-F169 VanDerWaalsContact CB-CZ 3.48Å; D126-F169 HydrophobicContact CB-CZ 4.44Å; V129-F169 HydrophobicContact CG1-CE1 3.88Å; V129-F169 HydrophobicContact CG1-CZ 4.47Å; V129-F169 HydrophobicContact CG2-CE1 4.15Å; V129-F169 HydrophobicContact CG2-CZ 4Å; L139-F169 HydrophobicContact CD1-CE1 4.44Å; L164-F169 PolarHBondContact O-N 3.22Å; L164-F169 VanDerWaalsContact O-N 3.13Å; F169-A171 HydrophobicContact CD1-CB 3.69Å; F169-A171 HydrophobicContact CE1-CB 3.91Å; F169-A171 PolarHBondContact O-N 2.84Å
170P92.4Very high89.7Confident1 Ų130.5 Ų30.51%0.00616%0.157CC..SBendtrans-80.658.6-172.734.5-38.5000112.4K39 F40 A43 L54 Y58K39-P170 HydrophobicContact CD-CG 4.39Å; K39-P170 HydrophobicContact CG-CB 4.13Å; K39-P170 HydrophobicContact CG-CG 4.26Å; F40-P170 HydrophobicContact CD1-CB 3.72Å; F40-P170 HydrophobicContact CE1-CB 3.74Å; F40-P170 HydrophobicContact CE1-CG 4.09Å; F40-P170 HydrophobicContact CG-CB 4.42Å; F40-P170 HydrophobicContact CZ-CB 4.45Å; F40-P170 HydrophobicContact CZ-CG 4.46Å; A43-P170 HydrophobicContact CB-CB 4.45Å; L54-P170 HydrophobicContact CD2-CB 4.24Å; Y58-P170 HydrophobicContact CD2-CG 4.17Å; Y58-P170 HydrophobicContact CE2-CG 3.94Å
171A91.8Very high90Very high13 Ų1328.9 Ų28.911%0.10716%0.155CC..SBendtrans-139.7155.5173.900000110.7V129 L139 F169V129-A171 HydrophobicContact CG1-CB 3.87Å; L139-A171 HydrophobicContact CD1-CB 3.49Å; L139-A171 VanDerWaalsContact CD1-CB 3.49Å; L139-A171 HydrophobicContact CG-CB 3.96Å; F169-A171 HydrophobicContact CD1-CB 3.69Å; F169-A171 HydrophobicContact CE1-CB 3.91Å; F169-A171 PolarHBondContact O-N 2.84Å
172R90.3Very high90.2Very high68 Ų6828.9 Ų28.926%0.25716%0.158SC..  trans-87.8113.8168.8-77.5177.1-77.7-177.4-25.2109.5M42 Q135 R136 G138 L139 K174M42-R172 PolarHBondContact O-NE 3.36Å; M42-R172 PolarHBondContact O-NH2 2.88Å; Q135-R172 PolarHBondContact O-NH2 3.32Å; R136-R172 PolarHBondContact O-NH1 3.07Å; R136-R172 PolarHBondContact O-NH2 3.41Å; G138-R172 CarbonylContact C-O 3.54Å; G138-R172 WeakPolarHBondContact CA-O 3.46Å; L139-R172 PolarHBondContact N-O 3.24Å; R172-K174 PolarHBondContact O-N 3.37Å
173L91.3Very high90.5Very high12 Ų1234.3 Ų34.36%0.06319%0.191CC..EExtended strand (participates in β ladder)trans-75.9110.7169.7-179.758.2000109.9F141 L165 V176 L200 R203F141-L173 HydrophobicContact CD2-CD1 3.53Å; F141-L173 HydrophobicContact CE2-CD1 4.08Å; L165-L173 HydrophobicContact CB-CD2 3.95Å; L165-L173 HydrophobicContact CD1-CD2 4.26Å; L165-L173 HydrophobicContact CD2-CD1 4.47Å; L165-L173 HydrophobicContact CD2-CD2 4.31Å; L165-L173 HydrophobicContact CG-CD2 4.4Å; L173-V176 HydrophobicContact CD1-CG2 3.78Å; L173-V176 HydrophobicContact CD2-CG2 3.68Å; L173-V176 HydrophobicContact CG-CG2 4.1Å; L173-L200 HydrophobicContact CD2-CD1 3.6Å; L173-R203 WeakPolarHBondContact O-CD 3.5Å; L173-R203 PolarHBondContact O-NH1 3.26Å
174K92.4Very high90.9Very high78 Ų7833.6 Ų33.634%0.33918%0.182SC..EExtended strand (participates in β ladder)trans-81.9-48.3176.7-85.6-176.6168162.60111.9T95 A97 N137 L139 V140 R172T95-K174 PolarHBondContact O-NZ 3.27Å; T95-K174 PolarHBondContact OG1-NZ 3.13Å; A97-K174 HydrophobicContact CB-CD 3.79Å; N137-K174 WeakPolarHBondContact O-CD 3.4Å; N137-K174 WeakPolarHBondContact O-CE 3.28Å; N137-K174 PolarHBondContact O-NZ 2.82Å; L139-K174 PolarHBondContact O-N 3.28Å; V140-K174 HydrophobicContact CG2-CB 4.21Å; R172-K174 PolarHBondContact O-N 3.37Å
175K93.4Very high91.4Very high56 Ų5633.6 Ų33.624%0.24318%0.182CC..EExtended strand (participates in β ladder)trans-154.2146.7-171.7-154.4170.4-166.1174.90110.9V140 F141 L177 H215V140-K175 WeakPolarHBondContact CA-O 3.48Å; V140-K175 HydrophobicContact CG1-CB 4.28Å; V140-K175 HydrophobicContact CG2-CB 4.26Å; F141-K175 PolarHBondContact N-O 2.77Å; K175-L177 HydrophobicContact CD-CD2 3.95Å; K175-L177 HydrophobicContact CD-CG 4.34Å; K175-L177 HydrophobicContact CG-CD2 4.07Å; K175-L177 HydrophobicContact CG-CG 4.3Å; K175-H215 WeakPolarHBondContact CE-ND1 3.43Å; K175-H215 PolarHBondContact NZ-ND1 3.08Å
176V95.2Very high91.9Very high18 Ų1840.6 Ų40.611%0.10921%0.206CC..EExtended strand (participates in β ladder)trans-124.4117.8169.2-1770000107.5F141 L173 I178 R203 V204 Q205F141-V176 HydrophobicContact CB-CG1 4.29Å; F141-V176 HydrophobicContact CB-CG2 4.27Å; F141-V176 CarbonylContact O-C 3.4Å; F141-V176 WeakPolarHBondContact O-CA 3.43Å; L173-V176 HydrophobicContact CD1-CG2 3.78Å; L173-V176 HydrophobicContact CD2-CG2 3.68Å; L173-V176 HydrophobicContact CG-CG2 4.1Å; V176-I178 HydrophobicContact CG1-CG1 4.4Å; V176-R203 PolarHBondContact N-O 2.87Å; V176-V204 HydrophobicContact CB-CB 4.41Å; V176-V204 HydrophobicContact CB-CG1 4.34Å; V176-V204 HydrophobicContact CB-CG2 4.07Å; V176-V204 HydrophobicContact CG1-CG1 4.34Å; V176-V204 HydrophobicContact CG2-CG2 4.23Å; V176-V204 WeakPolarHBondContact O-CA 3.38Å; V176-Q205 PolarHBondContact O-N 3.4Å
177L96.9Very high92.5Very high0 Ų041.1 Ų41.10%022%0.217CC..EExtended strand (participates in β ladder)trans-107.3109.6179.8-61.6173.5000108.3V140 F141 I142 Y143 K175 V179 Q205 V207 L212 H215 L216V140-L177 HydrophobicContact CG1-CD1 4.45Å; F141-L177 PolarHBondContact O-N 3.42Å; I142-L177 CarbonylContact C-O 3.52Å; I142-L177 WeakPolarHBondContact CA-O 3.46Å; Y143-L177 PolarHBondContact N-O 2.86Å; K175-L177 HydrophobicContact CD-CD2 3.95Å; K175-L177 HydrophobicContact CD-CG 4.34Å; K175-L177 HydrophobicContact CG-CD2 4.07Å; K175-L177 HydrophobicContact CG-CG 4.3Å; L177-V179 HydrophobicContact CB-CG2 4.26Å; L177-Q205 WeakPolarHBondContact CA-O 3.4Å; L177-Q205 HydrophobicContact CD2-CB 4.25Å; L177-V207 HydrophobicContact CB-CG2 4.42Å; L177-V207 HydrophobicContact CD2-CG1 4.26Å; L177-L212 HydrophobicContact CB-CD1 4.4Å; L177-L212 HydrophobicContact CD1-CD1 3.78Å; L177-H215 HydrophobicContact CD1-CB 3.95Å; L177-H215 HydrophobicContact CD2-CB 4.05Å; L177-L216 HydrophobicContact CD1-CD1 3.83Å; L177-L216 HydrophobicContact CD1-CG 4.19Å
178I96.9Very high93.1Very high10 Ų1040.9 Ų40.95%0.05121%0.212CC..EExtended strand (participates in β ladder)trans-91.8106.5173.7-54.7179.9000107.2Y143 M145 V176 A181 F185 Y189 V204 Q205 M206 V207Y143-I178 HydrophobicContact CD1-CG1 4.38Å; Y143-I178 HydrophobicContact CD1-CG2 3.99Å; M145-I178 HydrophobicContact CG-CG2 4.09Å; M145-I178 HydrophobicContact SD-CG2 3.63Å; V176-I178 HydrophobicContact CG1-CG1 4.4Å; I178-A181 HydrophobicContact CG2-CB 4.03Å; I178-F185 HydrophobicContact CD1-CE1 3.92Å; I178-F185 HydrophobicContact CD1-CZ 4.34Å; I178-F185 HydrophobicContact CG2-CD1 4.41Å; I178-F185 HydrophobicContact CG2-CE1 3.93Å; I178-Y189 HydrophobicContact CD1-CD2 4.01Å; I178-Y189 HydrophobicContact CD1-CE2 3.96Å; I178-V204 HydrophobicContact CD1-CG1 3.85Å; I178-V204 HydrophobicContact CG1-CG1 4.32Å; I178-Q205 PolarHBondContact N-O 3.02Å; I178-M206 HydrophobicContact CB-CG 4.44Å; I178-M206 HydrophobicContact CG2-CG 4.49Å; I178-M206 WeakPolarHBondContact O-CA 3.4Å; I178-V207 PolarHBondContact O-N 3.02Å
179V97.2Very high93.3Very high0 Ų042.6 Ų42.60%022%0.217CC..EExtended strand (participates in β ladder)trans-102.6129.6-168.2-169.80000110.3I142 Y143 M145 L177 A181 V207 M209 L212I142-V179 HydrophobicContact CG2-CG2 3.75Å; Y143-V179 PolarHBondContact O-N 2.83Å; M145-V179 WeakPolarHBondContact CB-O 3.39Å; M145-V179 PolarHBondContact N-O 3.34Å; L177-V179 HydrophobicContact CB-CG2 4.26Å; V179-A181 VanDerWaalsContact C-N 3.28Å; V179-A181 PolarHBondContact O-N 2.87Å; V179-V207 WeakPolarHBondContact CA-O 3.39Å; V179-V207 HydrophobicContact CB-CG2 4.31Å; V179-V207 HydrophobicContact CG1-CG2 4.41Å; V179-V207 HydrophobicContact CG2-CG2 3.77Å; V179-M209 HydrophobicContact CG1-CE 3.71Å; V179-M209 HydrophobicContact CG1-SD 3.53Å; V179-M209 VanDerWaalsContact CG1-SD 3.53Å; V179-L212 HydrophobicContact CG1-CD2 4.21Å; V179-L212 HydrophobicContact CG2-CD1 3.79Å; V179-L212 HydrophobicContact CG2-CD2 4.18Å
180G94.8Very high93.2Very high27 Ų2746.2 Ų46.228%0.27824%0.237SC..SBendtrans65.331.2172.800000113.8P182 V207G180-P182 WeakPolarHBondContact O-CD 3.41Å; G180-V207 PolarHBondContact N-O 3.31Å; G180-V207 VanDerWaalsContact N-O 3.1Å
181A94.8Very high93Very high29 Ų2950.5 Ų50.524%0.2426%0.259CS..  trans-55.5123.4179.100000111.7M145 I178 V179 F185 M206M145-A181 HydrophobicContact SD-CB 4.01Å; I178-A181 HydrophobicContact CG2-CB 4.03Å; V179-A181 VanDerWaalsContact C-N 3.28Å; V179-A181 PolarHBondContact O-N 2.87Å; A181-F185 HydrophobicContact CB-CB 4.48Å; A181-F185 HydrophobicContact CB-CD1 3.99Å; A181-M206 HydrophobicContact CB-CG 3.88Å; A181-M206 HydrophobicContact CB-SD 3.72Å
182P94.3Very high92.8Very high32 Ų3250.8 Ų50.821%0.20826%0.259CS..  trans-65.6157.9172.2-22.433.8000112.1G180 W184 F185G180-P182 WeakPolarHBondContact O-CD 3.41Å; P182-W184 VanDerWaalsContact CB-CD1 3.43Å; P182-W184 HydrophobicContact CB-CD2 4.48Å; P182-W184 HydrophobicContact CB-CG 4.18Å; P182-W184 HydrophobicContact CG-CZ2 4.18Å; P182-W184 PolarHBondContact O-N 2.78Å; P182-W184 VanDerWaalsContact O-N 3.15Å; P182-F185 VanDerWaalsContact O-CB 3.31Å; P182-F185 WeakPolarHBondContact O-CB 3.48Å; P182-F185 PolarHBondContact O-N 3.1Å
183V92.8Very high92.6Very high136 Ų13648.4 Ų48.482%0.82425%0.253SS*.G310 helixtrans-55.1-38-179.3178.30000112.5F185 R186V183-F185 PolarHBondContact O-N 2.77Å; V183-F185 VanDerWaalsContact O-N 3.16Å; V183-R186 WeakPolarHBondContact O-CB 3.44Å; V183-R186 PolarHBondContact O-N 3.32Å
184W93.3Very high92.3Very high64 Ų6454.1 Ų54.124%0.24228%0.283CS..G310 helixtrans-60.5-25.7179.766.5-106.3000112.9M145 Y150 F153 P182 R186 P188M145-W184 HydrophobicContact CE-CH2 3.59Å; M145-W184 HydrophobicContact CE-CZ2 3.89Å; M145-W184 HydrophobicContact CE-CZ3 4.48Å; Y150-W184 HydrophobicContact CD2-CD2 4.09Å; Y150-W184 AromaticContact CD2-CE3 3.59Å; Y150-W184 HydrophobicContact CD2-CE3 3.59Å; Y150-W184 HydrophobicContact CD2-CZ3 4.08Å; Y150-W184 HydrophobicContact CE2-CE3 4.28Å; F153-W184 HydrophobicContact CB-CH2 3.53Å; F153-W184 HydrophobicContact CB-CZ3 3.79Å; F153-W184 HydrophobicContact CD1-CZ3 4.14Å; F153-W184 HydrophobicContact CD2-CH2 4.28Å; F153-W184 HydrophobicContact CD2-CZ3 4.35Å; F153-W184 AromaticContact CG-CH2 3.92Å; F153-W184 HydrophobicContact CG-CH2 3.92Å; F153-W184 AromaticContact CG-CZ3 3.82Å; F153-W184 HydrophobicContact CG-CZ3 3.82Å; P182-W184 VanDerWaalsContact CB-CD1 3.43Å; P182-W184 HydrophobicContact CB-CD2 4.48Å; P182-W184 HydrophobicContact CB-CG 4.18Å; P182-W184 HydrophobicContact CG-CZ2 4.18Å; P182-W184 PolarHBondContact O-N 2.78Å; P182-W184 VanDerWaalsContact O-N 3.15Å; W184-R186 PolarHBondContact O-N 3.46Å; W184-P188 HydrophobicContact CE3-CG 4.44Å; W184-P188 HydrophobicContact CZ3-CG 4.35Å; W184-P188 VanDerWaalsContact O-CD 3.23Å; W184-P188 WeakPolarHBondContact O-CD 3.44Å
185F94.8Very high91.7Very high6 Ų653.7 Ų53.73%0.02628%0.284CS..G310 helixtrans-71.5-16-177.2-173.5-110.8000113.4Y143 M145 F153 I178 A181 P182 V183 V187 P188 Y189 M206Y143-F185 HydrophobicContact CE1-CE2 4.24Å; Y143-F185 HydrophobicContact CE1-CZ 4.12Å; M145-F185 HydrophobicContact CE-CB 3.97Å; M145-F185 HydrophobicContact CE-CD1 4.19Å; M145-F185 HydrophobicContact CE-CD2 3.31Å; M145-F185 HydrophobicContact CE-CE2 3.76Å; M145-F185 HydrophobicContact CE-CG 3.55Å; M145-F185 HydrophobicContact CE-CZ 4.36Å; M145-F185 HydrophobicContact SD-CB 4.3Å; M145-F185 HydrophobicContact SD-CD1 3.61Å; M145-F185 HydrophobicContact SD-CD2 3.82Å; M145-F185 HydrophobicContact SD-CE1 3.79Å; M145-F185 HydrophobicContact SD-CE2 3.97Å; M145-F185 HydrophobicContact SD-CG 3.62Å; M145-F185 HydrophobicContact SD-CZ 3.95Å; F153-F185 HydrophobicContact CD2-CD2 4.37Å; F153-F185 HydrophobicContact CD2-CE2 4.05Å; F153-F185 HydrophobicContact CE2-CD2 4.27Å; F153-F185 AromaticContact CE2-CE2 3.63Å; F153-F185 HydrophobicContact CE2-CE2 3.63Å; F153-F185 HydrophobicContact CZ-CE2 4.26Å; I178-F185 HydrophobicContact CD1-CE1 3.92Å; I178-F185 HydrophobicContact CD1-CZ 4.34Å; I178-F185 HydrophobicContact CG2-CD1 4.41Å; I178-F185 HydrophobicContact CG2-CE1 3.93Å; A181-F185 HydrophobicContact CB-CB 4.48Å; A181-F185 HydrophobicContact CB-CD1 3.99Å; P182-F185 VanDerWaalsContact O-CB 3.31Å; P182-F185 WeakPolarHBondContact O-CB 3.48Å; P182-F185 PolarHBondContact O-N 3.1Å; V183-F185 PolarHBondContact O-N 2.77Å; V183-F185 VanDerWaalsContact O-N 3.16Å; F185-V187 PolarHBondContact O-N 2.85Å; F185-P188 HydrophobicContact CD2-CB 4.36Å; F185-P188 HydrophobicContact CE2-CB 4.46Å; F185-P188 WeakPolarHBondContact O-CD 3.38Å; F185-Y189 HydrophobicContact CE1-CD2 4.03Å; F185-Y189 HydrophobicContact CE1-CG 4.28Å; F185-Y189 VanDerWaalsContact O-CB 3.25Å; F185-Y189 WeakPolarHBondContact O-CB 3.32Å; F185-Y189 PolarHBondContact O-N 3.35Å; F185-M206 HydrophobicContact CD1-CE 4.14Å; F185-M206 HydrophobicContact CE1-CE 4.31Å
186R91.3Very high91.2Very high182 Ų18251.7 Ų51.769%0.68728%0.276SS*.Hα-helixtrans-57.4-38.4179.1-170.1174.1-178175.7-0.6112.5V183 W184 N190V183-R186 WeakPolarHBondContact O-CB 3.44Å; V183-R186 PolarHBondContact O-N 3.32Å; W184-R186 PolarHBondContact O-N 3.46Å; R186-N190 PolarHBondContact O-N 2.96Å; R186-N190 PolarHBondContact O-ND2 2.79Å; R186-N190 PolarHBondContact O-OD1 2.9Å
187V91.1Very high90.5Very high99 Ų9958.5 Ų58.560%0.630%0.304SS*.Hα-helixtrans-70.4-55-179.4172.70000111.4F185 Y189 N190 L191F185-V187 PolarHBondContact O-N 2.85Å; V187-Y189 VanDerWaalsContact C-N 3.29Å; V187-Y189 PolarHBondContact O-N 3.41Å; V187-N190 PolarHBondContact O-N 3.4Å; V187-L191 PolarHBondContact O-N 3.35Å
188P91.6Very high89.7Confident10 Ų1065.9 Ų65.97%0.06534%0.338CS..Hα-helixtrans-56.4-40.1173.1-26.433000113.9F153 W184 F185 N190 L191 L192F153-P188 HydrophobicContact CD1-CB 4.43Å; F153-P188 HydrophobicContact CD1-CG 4.31Å; F153-P188 HydrophobicContact CE1-CB 3.54Å; F153-P188 HydrophobicContact CE1-CG 3.82Å; F153-P188 HydrophobicContact CE2-CB 4.46Å; F153-P188 HydrophobicContact CZ-CB 3.56Å; F153-P188 HydrophobicContact CZ-CG 4.3Å; W184-P188 HydrophobicContact CE3-CG 4.44Å; W184-P188 HydrophobicContact CZ3-CG 4.35Å; W184-P188 VanDerWaalsContact O-CD 3.23Å; W184-P188 WeakPolarHBondContact O-CD 3.44Å; F185-P188 HydrophobicContact CD2-CB 4.36Å; F185-P188 HydrophobicContact CE2-CB 4.46Å; F185-P188 WeakPolarHBondContact O-CD 3.38Å; P188-N190 PolarHBondContact O-N 2.92Å; P188-L191 PolarHBondContact O-N 3.19Å; P188-L192 WeakPolarHBondContact O-CG 3.31Å; P188-L192 PolarHBondContact O-N 3.04Å
189Y91.6Very high89Confident44 Ų4472.3 Ų72.317%0.17337%0.366CS..Hα-helixtrans-60.5-45.1177.5178.7-103.1000112I178 F185 V187 L191 L192 S193 V204 M206I178-Y189 HydrophobicContact CD1-CD2 4.01Å; I178-Y189 HydrophobicContact CD1-CE2 3.96Å; F185-Y189 HydrophobicContact CE1-CD2 4.03Å; F185-Y189 HydrophobicContact CE1-CG 4.28Å; F185-Y189 VanDerWaalsContact O-CB 3.25Å; F185-Y189 WeakPolarHBondContact O-CB 3.32Å; F185-Y189 PolarHBondContact O-N 3.35Å; V187-Y189 VanDerWaalsContact C-N 3.29Å; V187-Y189 PolarHBondContact O-N 3.41Å; Y189-L191 VanDerWaalsContact C-N 3.3Å; Y189-L191 PolarHBondContact O-N 3.47Å; Y189-L192 PolarHBondContact O-N 2.89Å; Y189-S193 VanDerWaalsContact O-CB 3.29Å; Y189-S193 WeakPolarHBondContact O-CB 3.47Å; Y189-S193 PolarHBondContact O-N 2.85Å; Y189-V204 HydrophobicContact CE2-CG1 3.95Å; Y189-M206 HydrophobicContact CD1-CE 3.88Å; Y189-M206 HydrophobicContact CD2-CE 4.09Å; Y189-M206 HydrophobicContact CE1-CE 4.24Å; Y189-M206 HydrophobicContact CE2-CE 4.45Å; Y189-M206 HydrophobicContact CG-CE 3.79Å
190N89.2Confident88.3Confident85 Ų8573.2 Ų73.246%0.45537%0.371SS..Hα-helixtrans-57.8-44.5176.6-73.7-13.8000111.1R186 V187 P188 S193 L194R186-N190 PolarHBondContact O-N 2.96Å; R186-N190 PolarHBondContact O-ND2 2.79Å; R186-N190 PolarHBondContact O-OD1 2.9Å; V187-N190 PolarHBondContact O-N 3.4Å; P188-N190 PolarHBondContact O-N 2.92Å; N190-S193 PolarHBondContact O-N 3.02Å; N190-S193 PolarHBondContact O-OG 2.89Å; N190-L194 PolarHBondContact O-N 2.75Å
191L88Confident87.9Confident92 Ų9277.3 Ų77.348%0.48238%0.378SS..Hα-helixtrans-62-45.9176.3-65.7174.6000112.4V187 P188 Y189 S193 L194V187-L191 PolarHBondContact O-N 3.35Å; P188-L191 PolarHBondContact O-N 3.19Å; Y189-L191 VanDerWaalsContact C-N 3.3Å; Y189-L191 PolarHBondContact O-N 3.47Å; L191-S193 VanDerWaalsContact C-N 3.31Å; L191-S193 PolarHBondContact O-N 3.21Å; L191-L194 PolarHBondContact O-N 2.78Å
192L87.6Confident87.6Confident18 Ų1882.2 Ų82.29%0.09440%0.396CS..Hα-helixtrans-65.5-34.8177.7-69.3170.3000111.8F153 L155 K159 P188 Y189 L194 L195F153-L192 HydrophobicContact CZ-CD1 4.31Å; L155-L192 HydrophobicContact CD1-CD2 3.93Å; L155-L192 HydrophobicContact CD1-CG 4.04Å; K159-L192 HydrophobicContact CG-CD2 3.87Å; P188-L192 WeakPolarHBondContact O-CG 3.31Å; P188-L192 PolarHBondContact O-N 3.04Å; Y189-L192 PolarHBondContact O-N 2.89Å; L192-L194 VanDerWaalsContact C-N 3.28Å; L192-L194 PolarHBondContact O-N 2.92Å; L192-L195 WeakPolarHBondContact O-CB 3.09Å; L192-L195 PolarHBondContact O-N 3.45Å
193S87Confident87.5Confident18 Ų1884.8 Ų84.813%0.12640%0.401CS..Hα-helixtrans-66.7-27.2-178.979.80000113.3Y189 N190 L191 L195 L196 R201Y189-S193 VanDerWaalsContact O-CB 3.29Å; Y189-S193 WeakPolarHBondContact O-CB 3.47Å; Y189-S193 PolarHBondContact O-N 2.85Å; N190-S193 PolarHBondContact O-N 3.02Å; N190-S193 PolarHBondContact O-OG 2.89Å; L191-S193 VanDerWaalsContact C-N 3.31Å; L191-S193 PolarHBondContact O-N 3.21Å; S193-L195 PolarHBondContact O-N 2.94Å; S193-L196 WeakPolarHBondContact O-CB 3.33Å; S193-L196 PolarHBondContact O-N 3.38Å; S193-R201 PolarHBondContact O-NE 3.48Å; S193-R201 PolarHBondContact O-NH2 3.44Å
194L85.1Confident87.5Confident133 Ų13379.2 Ų79.270%0.69637%0.367SS*.THydrogen-bonded Turntrans-64-25.6172.9-64.6174.5000111.8N190 L191 L192 L196N190-L194 PolarHBondContact O-N 2.75Å; L191-L194 PolarHBondContact O-N 2.78Å; L192-L194 VanDerWaalsContact C-N 3.28Å; L192-L194 PolarHBondContact O-N 2.92Å; L194-L196 VanDerWaalsContact C-N 3.3Å
195L79.8Confident87.5Confident69 Ų6979.4 Ų79.436%0.36137%0.371SS..THydrogen-bonded Turntrans-82.7-5.7176-53.9176.3000112.2K159 L162 K166 L192 S193K159-L195 HydrophobicContact CG-CD1 4Å; L162-L195 HydrophobicContact CD2-CB 4.01Å; L162-L195 HydrophobicContact CD2-CD1 4.47Å; K166-L195 WeakPolarHBondContact CE-O 3.44Å; K166-L195 PolarHBondContact NZ-O 2.86Å; L192-L195 WeakPolarHBondContact O-CB 3.09Å; L192-L195 PolarHBondContact O-N 3.45Å; S193-L195 PolarHBondContact O-N 2.94Å
196L81.3Confident87.5Confident14 Ų1483.3 Ų83.37%0.07339%0.39CS..SBendtrans-94.9129.2-176.9-66.6178.4000112L162 S193 L194 L200 R201 V204L162-L196 HydrophobicContact CD1-CD2 3.41Å; L162-L196 VanDerWaalsContact CD1-CD2 3.41Å; L162-L196 HydrophobicContact CD1-CG 4.34Å; L162-L196 HydrophobicContact CD2-CD2 3.81Å; L162-L196 HydrophobicContact CD2-CG 4.19Å; L162-L196 HydrophobicContact CG-CD2 3.86Å; S193-L196 WeakPolarHBondContact O-CB 3.33Å; S193-L196 PolarHBondContact O-N 3.38Å; L194-L196 VanDerWaalsContact C-N 3.3Å; L196-L200 HydrophobicContact CD2-CB 4.39Å; L196-L200 HydrophobicContact CD2-CD2 3.47Å; L196-L200 VanDerWaalsContact CD2-CD2 3.47Å; L196-L200 HydrophobicContact CD2-CG 3.74Å; L196-R201 HydrophobicContact CB-CB 4.05Å; L196-R201 HydrophobicContact CD1-CB 4.46Å; L196-V204 HydrophobicContact CD1-CG2 4.02Å
197K80.6Confident87.7Confident161 Ų16175 Ų7570%0.736%0.36SS*.  trans-66.6150.2164.7-67.9-173.6178.1-177.80108.9K199 L200 R201K197-K199 PolarHBondContact O-N 2.87Å; K197-L200 PolarHBondContact O-N 3Å; K197-R201 PolarHBondContact O-N 2.87Å
198E80.8Confident87.8Confident154 Ų15476.9 Ų76.972%0.7236%0.36SS*.Hα-helixtrans-45.3-54.3-175.8-169.8170.2-158.500113.2L200 R201 E202E198-L200 VanDerWaalsContact C-N 3.27Å; E198-L200 PolarHBondContact O-N 3.27Å; E198-L200 VanDerWaalsContact O-N 3.16Å; E198-R201 WeakPolarHBondContact O-CB 3.21Å; E198-R201 PolarHBondContact O-N 3.41Å; E198-E202 WeakPolarHBondContact O-CG 3.42Å; E198-E202 PolarHBondContact O-N 3.04Å
199K81.7Confident87.7Confident146 Ų14679.2 Ų79.264%0.63537%0.371SS*.Hα-helixtrans-59.3-28.8178.7-169171.6-170.4162.70115.5K197K197-K199 PolarHBondContact O-N 2.87Å
200L82.4Confident87.6Confident19 Ų1980.5 Ų80.510%0.09939%0.39CS..Hα-helixtrans-85.3-35.8176-177.859.1000110.8K166 L173 L196 K197 E198 E202 R203K166-L200 HydrophobicContact CB-CD2 4.28Å; K166-L200 HydrophobicContact CG-CD2 3.7Å; L173-L200 HydrophobicContact CD2-CD1 3.6Å; L196-L200 HydrophobicContact CD2-CB 4.39Å; L196-L200 HydrophobicContact CD2-CD2 3.47Å; L196-L200 VanDerWaalsContact CD2-CD2 3.47Å; L196-L200 HydrophobicContact CD2-CG 3.74Å; K197-L200 PolarHBondContact O-N 3Å; E198-L200 VanDerWaalsContact C-N 3.27Å; E198-L200 PolarHBondContact O-N 3.27Å; E198-L200 VanDerWaalsContact O-N 3.16Å; L200-E202 VanDerWaalsContact C-N 3.27Å; L200-E202 PolarHBondContact O-N 2.73Å; L200-R203 WeakPolarHBondContact O-CB 3.29Å; L200-R203 PolarHBondContact O-N 2.83Å
201R86.8Confident87.8Confident112 Ų11279.5 Ų79.542%0.42338%0.383SS..Hα-helixtrans-58.3-40.4174.8-170.3-177-70.9168.8-2.7111.3S193 L196 K197 E198 R203 V204S193-R201 PolarHBondContact O-NE 3.48Å; S193-R201 PolarHBondContact O-NH2 3.44Å; L196-R201 HydrophobicContact CB-CB 4.05Å; L196-R201 HydrophobicContact CD1-CB 4.46Å; K197-R201 PolarHBondContact O-N 2.87Å; E198-R201 WeakPolarHBondContact O-CB 3.21Å; E198-R201 PolarHBondContact O-N 3.41Å; R201-R203 PolarHBondContact O-N 3.32Å; R201-V204 PolarHBondContact O-N 3.41Å; R201-V204 VanDerWaalsContact O-N 3.09Å
202E88.9Confident88.1Confident132 Ų13275.1 Ų75.162%0.61736%0.36SS*.THydrogen-bonded Turntrans-59.2-26.1174.6-70.6170.7177.800114E198 L200E198-E202 WeakPolarHBondContact O-CG 3.42Å; E198-E202 PolarHBondContact O-N 3.04Å; L200-E202 VanDerWaalsContact C-N 3.27Å; L200-E202 PolarHBondContact O-N 2.73Å
203R91Very high88.3Confident86 Ų8681.1 Ų81.133%0.32538%0.381SS..THydrogen-bonded Turntrans-83.5-15.4179.7-61178.6-175.9-175.3-1.1112.8L173 V176 L200 R201L173-R203 WeakPolarHBondContact O-CD 3.5Å; L173-R203 PolarHBondContact O-NH1 3.26Å; V176-R203 PolarHBondContact N-O 2.87Å; L200-R203 WeakPolarHBondContact O-CB 3.29Å; L200-R203 PolarHBondContact O-N 2.83Å; R201-R203 PolarHBondContact O-N 3.32Å
204V93Very high88.6Confident19 Ų1987.6 Ų87.612%0.11541%0.41CS..EExtended strand (participates in β ladder)trans-96119-179-174.10000109.1V176 I178 Y189 L196 R201V176-V204 HydrophobicContact CB-CB 4.41Å; V176-V204 HydrophobicContact CB-CG1 4.34Å; V176-V204 HydrophobicContact CB-CG2 4.07Å; V176-V204 HydrophobicContact CG1-CG1 4.34Å; V176-V204 HydrophobicContact CG2-CG2 4.23Å; V176-V204 WeakPolarHBondContact O-CA 3.38Å; I178-V204 HydrophobicContact CD1-CG1 3.85Å; I178-V204 HydrophobicContact CG1-CG1 4.32Å; Y189-V204 HydrophobicContact CE2-CG1 3.95Å; L196-V204 HydrophobicContact CD1-CG2 4.02Å; R201-V204 PolarHBondContact O-N 3.41Å; R201-V204 VanDerWaalsContact O-N 3.09Å
205Q93.9Very high89Confident68 Ų6883.7 Ų83.732%0.31839%0.388SS..EExtended strand (participates in β ladder)trans-128126.9-177.1-64-177.3-26.500109.8V176 L177 I178 V207 H215V176-Q205 PolarHBondContact O-N 3.4Å; L177-Q205 WeakPolarHBondContact CA-O 3.4Å; L177-Q205 HydrophobicContact CD2-CB 4.25Å; I178-Q205 PolarHBondContact N-O 3.02Å; Q205-V207 HydrophobicContact CB-CG1 4.26Å; Q205-H215 PolarHBondContact OE1-CE1 3.23Å; Q205-H215 PolarHBondContact OE1-ND1 3.02Å
206M94.6Very high89.8Confident88 Ų8880.7 Ų80.743%0.43337%0.372SS..EExtended strand (participates in β ladder)trans-89.5121.3171.4-163.3178-59.100108.2I178 A181 F185 Y189I178-M206 HydrophobicContact CB-CG 4.44Å; I178-M206 HydrophobicContact CG2-CG 4.49Å; I178-M206 WeakPolarHBondContact O-CA 3.4Å; A181-M206 HydrophobicContact CB-CG 3.88Å; A181-M206 HydrophobicContact CB-SD 3.72Å; F185-M206 HydrophobicContact CD1-CE 4.14Å; F185-M206 HydrophobicContact CE1-CE 4.31Å; Y189-M206 HydrophobicContact CD1-CE 3.88Å; Y189-M206 HydrophobicContact CD2-CE 4.09Å; Y189-M206 HydrophobicContact CE1-CE 4.24Å; Y189-M206 HydrophobicContact CE2-CE 4.45Å; Y189-M206 HydrophobicContact CG-CE 3.79Å
207V95.5Very high90.4Very high8 Ų882.3 Ų82.35%0.04838%0.384CS..EExtended strand (participates in β ladder)trans-128.2142.1-171.1-61.90000110.8L177 I178 V179 G180 Q205 L212L177-V207 HydrophobicContact CB-CG2 4.42Å; L177-V207 HydrophobicContact CD2-CG1 4.26Å; I178-V207 PolarHBondContact O-N 3.02Å; V179-V207 WeakPolarHBondContact CA-O 3.39Å; V179-V207 HydrophobicContact CB-CG2 4.31Å; V179-V207 HydrophobicContact CG1-CG2 4.41Å; V179-V207 HydrophobicContact CG2-CG2 3.77Å; G180-V207 PolarHBondContact N-O 3.31Å; G180-V207 VanDerWaalsContact N-O 3.1Å; Q205-V207 HydrophobicContact CB-CG1 4.26Å; V207-L212 HydrophobicContact CG2-CD1 4.07Å
208K92.9Very high91.1Very high139 Ų13980.6 Ų80.660%0.60437%0.373SS*.  trans-72.7153.3169.1-61.9-179.1-170.6160.60109.4A210 E211 L212K208-A210 PolarHBondContact O-N 3.3Å; K208-E211 HydrophobicContact CB-CB 4.47Å; K208-E211 HydrophobicContact CB-CG 4.19Å; K208-E211 WeakPolarHBondContact CD-OE1 3.31Å; K208-E211 PolarHBondContact N-OE2 3.37Å; K208-E211 VanDerWaalsContact N-OE2 3.16Å; K208-E211 IonicContact NZ-OE1 2.89Å; K208-E211 PolarHBondContact O-N 3.1Å; K208-L212 PolarHBondContact O-N 3.46Å
209M89.8Confident91.7Very high58 Ų5878.1 Ų78.129%0.28636%0.364SS..G310 helixtrans-54.6-41.5179.5-16763.575.400112.4A146 V179 E211 L212 L225A146-M209 HydrophobicContact CB-CE 3.53Å; V179-M209 HydrophobicContact CG1-CE 3.71Å; V179-M209 HydrophobicContact CG1-SD 3.53Å; V179-M209 VanDerWaalsContact CG1-SD 3.53Å; M209-E211 VanDerWaalsContact C-N 3.27Å; M209-E211 PolarHBondContact O-N 3.44Å; M209-L212 WeakPolarHBondContact O-CB 3.16Å; M209-L212 PolarHBondContact O-N 3.09Å; M209-L225 HydrophobicContact CE-CD2 3.52Å; M209-L225 HydrophobicContact SD-CB 4.18Å; M209-L225 HydrophobicContact SD-CD2 3.6Å; M209-L225 VanDerWaalsContact SD-CD2 3.6Å
210A90.3Very high92.3Very high71 Ų7171.4 Ų71.459%0.58734%0.336SS*.G310 helixtrans-66.2-26.7179.300000114K208K208-A210 PolarHBondContact O-N 3.3Å
211E93.2Very high92.9Very high65 Ų6570.5 Ų70.530%0.30433%0.331SS..G310 helixtrans-87.8-16.3-176.7-66.6162.8-175.100112.1K208 M209 R213 Q214 H215K208-E211 HydrophobicContact CB-CB 4.47Å; K208-E211 HydrophobicContact CB-CG 4.19Å; K208-E211 WeakPolarHBondContact CD-OE1 3.31Å; K208-E211 PolarHBondContact N-OE2 3.37Å; K208-E211 VanDerWaalsContact N-OE2 3.16Å; K208-E211 IonicContact NZ-OE1 2.89Å; K208-E211 PolarHBondContact O-N 3.1Å; M209-E211 VanDerWaalsContact C-N 3.27Å; M209-E211 PolarHBondContact O-N 3.44Å; E211-R213 PolarHBondContact O-N 2.62Å; E211-Q214 VanDerWaalsContact O-CB 3.27Å; E211-Q214 WeakPolarHBondContact O-CB 3.49Å; E211-Q214 WeakPolarHBondContact O-CG 3.41Å; E211-Q214 PolarHBondContact O-N 3.12Å; E211-H215 PolarHBondContact O-CD2 2.8Å
212L93.4Very high93.3Very high0 Ų065.2 Ų65.20%031%0.311CS..G310 helixtrans-53.7-33-176.9-173.960.8000113.1L177 V179 V207 K208 M209 Q214 H215 L216 L221 L225L177-L212 HydrophobicContact CB-CD1 4.4Å; L177-L212 HydrophobicContact CD1-CD1 3.78Å; V179-L212 HydrophobicContact CG1-CD2 4.21Å; V179-L212 HydrophobicContact CG2-CD1 3.79Å; V179-L212 HydrophobicContact CG2-CD2 4.18Å; V207-L212 HydrophobicContact CG2-CD1 4.07Å; K208-L212 PolarHBondContact O-N 3.46Å; M209-L212 WeakPolarHBondContact O-CB 3.16Å; M209-L212 PolarHBondContact O-N 3.09Å; L212-Q214 PolarHBondContact O-N 3.41Å; L212-H215 PolarHBondContact O-N 3.06Å; L212-L216 PolarHBondContact O-N 3.18Å; L212-L216 VanDerWaalsContact O-N 3.08Å; L212-L221 HydrophobicContact CD2-CD1 4.01Å; L212-L221 HydrophobicContact CD2-CD2 3.72Å; L212-L221 HydrophobicContact CG-CD1 3.9Å; L212-L221 HydrophobicContact CG-CD2 4.05Å; L212-L225 HydrophobicContact CD2-CB 3.85Å; L212-L225 HydrophobicContact CD2-CD1 4.28Å
213R91.9Very high93.6Very high143 Ų14364.6 Ų64.654%0.5431%0.308SS..G310 helixtrans-64.7-18.2177.5-64.8179.4-66.71710.3114.4E211 L216 R218E211-R213 PolarHBondContact O-N 2.62Å; R213-L216 WeakPolarHBondContact CA-O 3.2Å; R213-R218 HydrophobicContact CG-CG 4.46Å
214Q93.3Very high93.6Very high155 Ų15564.4 Ų64.472%0.72431%0.311SS*.G310 helixtrans-76.7-18.2172.8-57.5173.27.100111.5E211 L212E211-Q214 VanDerWaalsContact O-CB 3.27Å; E211-Q214 WeakPolarHBondContact O-CB 3.49Å; E211-Q214 WeakPolarHBondContact O-CG 3.41Å; E211-Q214 PolarHBondContact O-N 3.12Å; L212-Q214 PolarHBondContact O-N 3.41Å
215H94.3Very high93.7Very high51 Ų5163.5 Ų63.524%0.23631%0.305CS..THydrogen-bonded Turntrans-104.4-33-177.1-60.4-108.9000112.3K175 L177 Q205 E211 L212K175-H215 WeakPolarHBondContact CE-ND1 3.43Å; K175-H215 PolarHBondContact NZ-ND1 3.08Å; L177-H215 HydrophobicContact CD1-CB 3.95Å; L177-H215 HydrophobicContact CD2-CB 4.05Å; Q205-H215 PolarHBondContact OE1-CE1 3.23Å; Q205-H215 PolarHBondContact OE1-ND1 3.02Å; E211-H215 PolarHBondContact O-CD2 2.8Å; L212-H215 PolarHBondContact O-N 3.06Å
216L95.3Very high93.5Very high6 Ų662 Ų623%0.03131%0.309CS..SBendtrans-139.6137.5179.8-70.6172.1000111.1D93 I99 V140 I142 L177 L212 R213 L221D93-L216 HydrophobicContact CB-CD2 3.7Å; I99-L216 HydrophobicContact CD1-CD1 4.43Å; I99-L216 HydrophobicContact CD1-CD2 4.38Å; V140-L216 HydrophobicContact CG1-CD1 4.32Å; I142-L216 HydrophobicContact CD1-CD1 3.72Å; I142-L216 HydrophobicContact CG1-CD1 4.27Å; L177-L216 HydrophobicContact CD1-CD1 3.83Å; L177-L216 HydrophobicContact CD1-CG 4.19Å; L212-L216 PolarHBondContact O-N 3.18Å; L212-L216 VanDerWaalsContact O-N 3.08Å; R213-L216 WeakPolarHBondContact CA-O 3.2Å; L216-L221 HydrophobicContact CB-CD1 4.13Å; L216-L221 HydrophobicContact CB-CD2 3.96Å; L216-L221 HydrophobicContact CB-CG 3.96Å; L216-L221 HydrophobicContact CD1-CD2 3.81Å
217P95Very high93.5Very high48 Ų4858.2 Ų58.231%0.31229%0.292SS..  trans-59.5160173.3-27.638.3000114P94 D219 C220 L221P94-P217 HydrophobicContact CG-CG 3.49Å; P94-P217 VanDerWaalsContact CG-CG 3.49Å; P217-D219 WeakPolarHBondContact CB-OD1 3.4Å; P217-D219 PolarHBondContact O-N 3.27Å; P217-C220 WeakPolarHBondContact O-CB 3.4Å; P217-C220 PolarHBondContact O-N 3.5Å; P217-L221 WeakPolarHBondContact O-CG 3.47Å
218R94.3Very high93.5Very high125 Ų12562.3 Ų62.347%0.47231%0.313SS..G310 helixtrans-66.7-36.1-174.8-67.6-174.868.4-160.4-3.6113.1R213 C220 L221 G227 L228R213-R218 HydrophobicContact CG-CG 4.46Å; R218-C220 PolarHBondContact O-N 2.74Å; R218-L221 PolarHBondContact O-N 3Å; R218-G227 CarbonylContact O-C 3.55Å; R218-G227 WeakPolarHBondContact O-CA 3.41Å; R218-L228 HydrophobicContact CB-CD1 4.25Å; R218-L228 HydrophobicContact CB-CG 4.09Å; R218-L228 PolarHBondContact O-N 3.35Å
219D94.3Very high93.5Very high101 Ų10156.7 Ų56.754%0.5429%0.289SS..G310 helixtrans-65.4-25.3175.453.8-43.3000112.9P217P217-D219 WeakPolarHBondContact CB-OD1 3.4Å; P217-D219 PolarHBondContact O-N 3.27Å
220C94.3Very high93.6Very high6 Ų658 Ų584%0.04130%0.302CS..G310 helixtrans-82.8-10174.4-57.40000113.9R92 I99 P217 R218R92-C220 PolarHBondContact O-SG 3.1Å; I99-C220 HydrophobicContact CD1-CB 3.86Å; P217-C220 WeakPolarHBondContact O-CB 3.4Å; P217-C220 PolarHBondContact O-N 3.5Å; R218-C220 PolarHBondContact O-N 2.74Å
221L95.1Very high93.5Very high0 Ų057.8 Ų57.80%029%0.291CS..SBendtrans-111.8141.3-168.8-72.4174.3000112.1I142 L212 L216 P217 R218 G227 L228 L229I142-L221 HydrophobicContact CD1-CD2 3.9Å; L212-L221 HydrophobicContact CD2-CD1 4.01Å; L212-L221 HydrophobicContact CD2-CD2 3.72Å; L212-L221 HydrophobicContact CG-CD1 3.9Å; L212-L221 HydrophobicContact CG-CD2 4.05Å; L216-L221 HydrophobicContact CB-CD1 4.13Å; L216-L221 HydrophobicContact CB-CD2 3.96Å; L216-L221 HydrophobicContact CB-CG 3.96Å; L216-L221 HydrophobicContact CD1-CD2 3.81Å; P217-L221 WeakPolarHBondContact O-CG 3.47Å; R218-L221 PolarHBondContact O-N 3Å; L221-G227 CarbonylContact O-C 3.53Å; L221-G227 VanDerWaalsContact O-CA 3.27Å; L221-G227 WeakPolarHBondContact O-CA 3.27Å; L221-L228 PolarHBondContact O-N 3.45Å; L221-L228 VanDerWaalsContact O-N 3.16Å; L221-L229 WeakPolarHBondContact O-CB 3.19Å; L221-L229 PolarHBondContact O-N 2.93Å
222P95.3Very high93.3Very high0 Ų058.9 Ų58.90%030%0.299CS..BIsolated β-bridgetrans-56.9148.1168.1-25.133.7000113.1L89 L101 H224 L225 G226 G227 L229 L231L89-P222 HydrophobicContact CD1-CG 4.32Å; L89-P222 HydrophobicContact CD2-CG 4.31Å; L101-P222 HydrophobicContact CD2-CG 3.94Å; P222-H224 VanDerWaalsContact C-N 3.29Å; P222-H224 WeakPolarHBondContact CB-CE1 3.42Å; P222-H224 WeakPolarHBondContact CB-ND1 3.48Å; P222-H224 PolarHBondContact O-N 3.24Å; P222-L225 HydrophobicContact CB-CG 4.4Å; P222-L225 HydrophobicContact CG-CD1 4.15Å; P222-L225 HydrophobicContact CG-CG 4.49Å; P222-L225 CarbonylContact O-C 3.57Å; P222-L225 WeakPolarHBondContact O-CA 3.49Å; P222-L225 PolarHBondContact O-N 3.1Å; P222-G226 PolarHBondContact O-N 3.27Å; P222-G227 PolarHBondContact O-N 3.2Å; P222-L229 CarbonylContact C-O 3.38Å; P222-L229 WeakPolarHBondContact CA-O 3.42Å; P222-L231 HydrophobicContact CB-CB 4.47Å; P222-L231 HydrophobicContact CG-CD1 4.28Å
223Q94.3Very high92.9Very high119 Ų11959.3 Ų59.356%0.55630%0.302SS*.G310 helixtrans-54.7-41.5177.7-73.5173.8-10.400113.1L225 G226 L229Q223-L225 PolarHBondContact O-N 3.08Å; Q223-G226 PolarHBondContact O-N 3.23Å; Q223-L229 PolarHBondContact N-O 3.37Å
224H92.4Very high92.6Very high82 Ų8255 Ų5538%0.3829%0.294SS..G310 helixtrans-68.5-15.9178.673.6-84.5000113.8D144 P222D144-H224 IonicContact OD2-CD2 3.97Å; D144-H224 IonicContact OD2-NE2 3.75Å; P222-H224 VanDerWaalsContact C-N 3.29Å; P222-H224 WeakPolarHBondContact CB-CE1 3.42Å; P222-H224 WeakPolarHBondContact CB-ND1 3.48Å; P222-H224 PolarHBondContact O-N 3.24Å
225L94.1Very high92.3Very high0 Ų048.3 Ų48.30%027%0.267CS..G310 helixtrans-99.515.2172.2-58.2-176.7000112.4L101 I142 D144 M209 L212 P222 Q223L101-L225 HydrophobicContact CD1-CD1 3.97Å; I142-L225 HydrophobicContact CG2-CD1 4.01Å; D144-L225 HydrophobicContact CB-CD2 4.21Å; M209-L225 HydrophobicContact CE-CD2 3.52Å; M209-L225 HydrophobicContact SD-CB 4.18Å; M209-L225 HydrophobicContact SD-CD2 3.6Å; M209-L225 VanDerWaalsContact SD-CD2 3.6Å; L212-L225 HydrophobicContact CD2-CB 3.85Å; L212-L225 HydrophobicContact CD2-CD1 4.28Å; P222-L225 HydrophobicContact CB-CG 4.4Å; P222-L225 HydrophobicContact CG-CD1 4.15Å; P222-L225 HydrophobicContact CG-CG 4.49Å; P222-L225 CarbonylContact O-C 3.57Å; P222-L225 WeakPolarHBondContact O-CA 3.49Å; P222-L225 PolarHBondContact O-N 3.1Å; Q223-L225 PolarHBondContact O-N 3.08Å
226G90.9Very high92Very high38 Ų3847.5 Ų47.539%0.39226%0.262SS..THydrogen-bonded Turntrans84.912.5178.300000115.2P222 Q223P222-G226 PolarHBondContact O-N 3.27Å; Q223-G226 PolarHBondContact O-N 3.23Å
227G94.3Very high91.8Very high7 Ų747.2 Ų47.27%0.07226%0.26CS..SBendtrans-93.5-157.417700000114.7R218 L221 P222R218-G227 CarbonylContact O-C 3.55Å; R218-G227 WeakPolarHBondContact O-CA 3.41Å; L221-G227 CarbonylContact O-C 3.53Å; L221-G227 VanDerWaalsContact O-CA 3.27Å; L221-G227 WeakPolarHBondContact O-CA 3.27Å; P222-G227 PolarHBondContact O-N 3.2Å
228L94.4Very high91.4Very high95 Ų9550.7 Ų50.750%0.49727%0.272SS..SBendtrans-118-14.4-179.2-64.1174.9000112.8R218 L221 P230R218-L228 HydrophobicContact CB-CD1 4.25Å; R218-L228 HydrophobicContact CB-CG 4.09Å; R218-L228 PolarHBondContact O-N 3.35Å; L221-L228 PolarHBondContact O-N 3.45Å; L221-L228 VanDerWaalsContact O-N 3.16Å; L228-P230 VanDerWaalsContact O-CD 3.29Å; L228-P230 WeakPolarHBondContact O-CD 3.44Å
229L93.2Very high90.8Very high21 Ų2151.4 Ų51.411%0.1128%0.281CS..BIsolated β-bridgetrans-74.5118.7-174.1-172.569.7000111.1L89 V91 L221 P222 Q223 L231 W236L89-L229 HydrophobicContact CB-CD2 4.29Å; L89-L229 HydrophobicContact CD1-CD2 4.26Å; L89-L229 HydrophobicContact CD2-CD2 4.47Å; V91-L229 HydrophobicContact CG1-CD1 3.97Å; V91-L229 HydrophobicContact CG2-CD2 3.73Å; L221-L229 WeakPolarHBondContact O-CB 3.19Å; L221-L229 PolarHBondContact O-N 2.93Å; P222-L229 CarbonylContact C-O 3.38Å; P222-L229 WeakPolarHBondContact CA-O 3.42Å; Q223-L229 PolarHBondContact N-O 3.37Å; L229-L231 PolarHBondContact O-N 3.34Å; L229-W236 HydrophobicContact CD1-CH2 4.4Å; L229-W236 HydrophobicContact CD2-CH2 3.66Å; L229-W236 HydrophobicContact CD2-CZ3 4.37Å; L229-W236 HydrophobicContact CG-CH2 3.96Å
230P91.5Very high90Very high86 Ų8649.2 Ų49.256%0.55827%0.269SS*.  trans-65124.3167.6-1631.3000109L228 D232L228-P230 VanDerWaalsContact O-CD 3.29Å; L228-P230 WeakPolarHBondContact O-CD 3.44Å; P230-D232 PolarHBondContact O-N 3.36Å
231L88.7Confident89.3Confident66 Ų6649.2 Ų49.235%0.34627%0.269SS..  trans-86.3109.8-177.6-175.175.5000110.4T87 L89 L101 P222 L229 A233 W236T87-L231 HydrophobicContact CG2-CD1 4.37Å; L89-L231 HydrophobicContact CD2-CD1 4.04Å; L101-L231 HydrophobicContact CD2-CD1 4.15Å; P222-L231 HydrophobicContact CB-CB 4.47Å; P222-L231 HydrophobicContact CG-CD1 4.28Å; L229-L231 PolarHBondContact O-N 3.34Å; L231-A233 HydrophobicContact CD1-CB 4.39Å; L231-A233 HydrophobicContact CD2-CB 4.42Å; L231-A233 HydrophobicContact CG-CB 4.21Å; L231-W236 HydrophobicContact CD1-CH2 4.2Å; L231-W236 HydrophobicContact CD1-CZ3 3.73Å
232D89.3Confident88Confident87 Ų8753 Ų5347%0.46530%0.3SS..  trans-113.465.5168.4-177.817.9000110.3P230 S234 G235 W236P230-D232 PolarHBondContact O-N 3.36Å; D232-S234 VanDerWaalsContact C-N 3.29Å; D232-S234 PolarHBondContact O-N 2.9Å; D232-G235 PolarHBondContact O-N 3.23Å; D232-G235 PolarHBondContact OD1-N 3.05Å; D232-W236 WeakPolarHBondContact O-CB 3.18Å; D232-W236 PolarHBondContact O-N 3.04Å
233A86Confident86.2Confident9 Ų955.6 Ų55.67%0.07433%0.327CS..Hα-helixtrans-60.4-39-174.700000112.4T87 L231 N237T87-A233 HydrophobicContact CG2-CB 3.9Å; L231-A233 HydrophobicContact CD1-CB 4.39Å; L231-A233 HydrophobicContact CD2-CB 4.42Å; L231-A233 HydrophobicContact CG-CB 4.21Å; A233-N237 VanDerWaalsContact O-CB 3.29Å; A233-N237 WeakPolarHBondContact O-CB 3.42Å; A233-N237 PolarHBondContact O-N 3.16Å; A233-N237 PolarHBondContact O-OD1 2.69Å
234S85.6Confident84.5Confident54 Ų5451.8 Ų51.838%0.37831%0.309SS..Hα-helixtrans-70.2-45.3179.8-173.50000111.4D232 W236 N237 Q238D232-S234 VanDerWaalsContact C-N 3.29Å; D232-S234 PolarHBondContact O-N 2.9Å; S234-W236 PolarHBondContact O-N 2.68Å; S234-N237 PolarHBondContact O-N 2.73Å; S234-Q238 VanDerWaalsContact O-CB 3.29Å; S234-Q238 WeakPolarHBondContact O-CB 3.39Å; S234-Q238 PolarHBondContact O-N 3.27Å
235G86.9Confident82.4Confident14 Ų1455.4 Ų55.414%0.14433%0.331CS..Hα-helixtrans-62.8-41.7176.600000112.9D232 Q238 Q239D232-G235 PolarHBondContact O-N 3.23Å; D232-G235 PolarHBondContact OD1-N 3.05Å; G235-Q238 PolarHBondContact O-N 2.74Å; G235-Q239 WeakPolarHBondContact O-CG 3.46Å; G235-Q239 PolarHBondContact O-N 3.38Å
236W86.5Confident80.4Confident34 Ų3459 Ų5913%0.12937%0.369CS..Hα-helixtrans-65.5-44.1175.2-61.7-17.6000112.3L89 S90 L229 L231 D232 S234 Q238 Q239 L240L89-W236 HydrophobicContact CB-CZ3 4.38Å; L89-W236 HydrophobicContact CD2-CZ3 3.73Å; S90-W236 WeakPolarHBondContact OG-CZ2 3.4Å; L229-W236 HydrophobicContact CD1-CH2 4.4Å; L229-W236 HydrophobicContact CD2-CH2 3.66Å; L229-W236 HydrophobicContact CD2-CZ3 4.37Å; L229-W236 HydrophobicContact CG-CH2 3.96Å; L231-W236 HydrophobicContact CD1-CH2 4.2Å; L231-W236 HydrophobicContact CD1-CZ3 3.73Å; D232-W236 WeakPolarHBondContact O-CB 3.18Å; D232-W236 PolarHBondContact O-N 3.04Å; S234-W236 PolarHBondContact O-N 2.68Å; W236-Q238 VanDerWaalsContact C-N 3.3Å; W236-Q238 PolarHBondContact O-N 3.44Å; W236-Q239 WeakPolarHBondContact O-CB 3.41Å; W236-Q239 PolarHBondContact O-N 3.46Å; W236-L240 WeakPolarHBondContact O-CG 3.37Å; W236-L240 PolarHBondContact O-N 3.04Å
237N90.6Very high78.9Confident0 Ų066.3 Ų66.30%038%0.384CS..Hα-helixtrans-63.6-39.4176.2-70.32.3000110.5L81 F86 T87 L124 A233 S234 Q239 L240 L241L81-N237 WeakPolarHBondContact O-CB 3.25Å; L81-N237 PolarHBondContact O-ND2 2.98Å; F86-N237 PolarHBondContact O-ND2 2.67Å; T87-N237 WeakPolarHBondContact CB-OD1 3.41Å; T87-N237 PolarHBondContact OG1-OD1 2.92Å; L124-N237 HydrophobicContact CD2-CB 4.38Å; A233-N237 VanDerWaalsContact O-CB 3.29Å; A233-N237 WeakPolarHBondContact O-CB 3.42Å; A233-N237 PolarHBondContact O-N 3.16Å; A233-N237 PolarHBondContact O-OD1 2.69Å; S234-N237 PolarHBondContact O-N 2.73Å; N237-Q239 VanDerWaalsContact C-N 3.33Å; N237-Q239 PolarHBondContact O-N 2.77Å; N237-L240 WeakPolarHBondContact O-CB 3.47Å; N237-L240 PolarHBondContact O-N 2.89Å; N237-L240 VanDerWaalsContact O-N 3.09Å; N237-L241 WeakPolarHBondContact O-CG 3.47Å; N237-L241 PolarHBondContact O-N 2.85Å
238Q87Confident77.4Confident120 Ų12071 Ų7156%0.56141%0.411SS*.Hα-helixtrans-61.1-38.4175.8-170.917511.400112.7L82 S234 G235 W236 L240 L241 A242L82-Q238 HydrophobicContact CD2-CB 4.05Å; S234-Q238 VanDerWaalsContact O-CB 3.29Å; S234-Q238 WeakPolarHBondContact O-CB 3.39Å; S234-Q238 PolarHBondContact O-N 3.27Å; G235-Q238 PolarHBondContact O-N 2.74Å; W236-Q238 VanDerWaalsContact C-N 3.3Å; W236-Q238 PolarHBondContact O-N 3.44Å; Q238-L240 VanDerWaalsContact C-N 3.32Å; Q238-L240 PolarHBondContact O-N 2.78Å; Q238-L241 PolarHBondContact O-N 2.75Å; Q238-A242 PolarHBondContact O-N 2.81Å; Q238-A242 VanDerWaalsContact O-N 3.07Å
239Q83.1Confident76.4Confident141 Ų14167.7 Ų67.766%0.65939%0.394SS*.Hα-helixtrans-62.3-40173.2-70.8170.92.200111.9G235 W236 N237 L241 A242G235-Q239 WeakPolarHBondContact O-CG 3.46Å; G235-Q239 PolarHBondContact O-N 3.38Å; W236-Q239 WeakPolarHBondContact O-CB 3.41Å; W236-Q239 PolarHBondContact O-N 3.46Å; N237-Q239 VanDerWaalsContact C-N 3.33Å; N237-Q239 PolarHBondContact O-N 2.77Å; Q239-L241 VanDerWaalsContact C-N 3.28Å; Q239-L241 PolarHBondContact O-N 3.06Å; Q239-A242 PolarHBondContact O-N 3.46Å
240L76.9Confident75.2Confident54 Ų5470.6 Ų70.628%0.28341%0.414SS..Hα-helixtrans-67.2-27.5175.9-64173.9000112.5L124 R127 W236 N237 Q238L124-L240 HydrophobicContact CD2-CB 4.34Å; L124-L240 HydrophobicContact CD2-CD1 3.7Å; R127-L240 HydrophobicContact CB-CD2 4.13Å; R127-L240 HydrophobicContact CG-CB 4.46Å; W236-L240 WeakPolarHBondContact O-CG 3.37Å; W236-L240 PolarHBondContact O-N 3.04Å; N237-L240 WeakPolarHBondContact O-CB 3.47Å; N237-L240 PolarHBondContact O-N 2.89Å; N237-L240 VanDerWaalsContact O-N 3.09Å; Q238-L240 VanDerWaalsContact C-N 3.32Å; Q238-L240 PolarHBondContact O-N 2.78Å
241L78.4Confident74.4Confident7 Ų766.6 Ų66.64%0.03739%0.388CS..Hα-helixtrans-77.2-33.7175-61.6174.4000113.5P72 Q73 L81 L82 Y123 N237 Q238 Q239 G243P72-L241 HydrophobicContact CB-CD2 3.83Å; Q73-L241 PolarHBondContact NE2-O 3.3Å; L81-L241 HydrophobicContact CB-CD2 4.23Å; L81-L241 HydrophobicContact CD1-CD2 3.61Å; L81-L241 HydrophobicContact CG-CD2 4.37Å; L82-L241 HydrophobicContact CD1-CD1 4.37Å; L82-L241 HydrophobicContact CD2-CD1 3.6Å; L82-L241 HydrophobicContact CG-CD1 3.9Å; Y123-L241 HydrophobicContact CE1-CD2 3.88Å; N237-L241 WeakPolarHBondContact O-CG 3.47Å; N237-L241 PolarHBondContact O-N 2.85Å; Q238-L241 PolarHBondContact O-N 2.75Å; Q239-L241 VanDerWaalsContact C-N 3.28Å; Q239-L241 PolarHBondContact O-N 3.06Å; L241-G243 PolarHBondContact O-N 2.92Å
242A68.1Low73.9Confident80 Ų8064 Ų6466%0.66138%0.375SS*.Hα-helixtrans-68.3-16.7-174.900000113.7Q238 Q239 Q244Q238-A242 PolarHBondContact O-N 2.81Å; Q238-A242 VanDerWaalsContact O-N 3.07Å; Q239-A242 PolarHBondContact O-N 3.46Å; A242-Q244 VanDerWaalsContact C-N 3.33Å; A242-Q244 PolarHBondContact O-N 3.16Å
243G58.7Low73.2Confident54 Ų5464.4 Ų64.456%0.55737%0.374SS*.THydrogen-bonded Turntrans-77.80.5-174.700000116.9L241L241-G243 PolarHBondContact O-N 2.92Å
244Q58.1Low72.5Confident38 Ų3864.2 Ų64.218%0.17837%0.371CS..  trans-142.861.9-172-77.1-161-39.800115.1R127 A242 G246 R247R127-Q244 VanDerWaalsContact NH1-CD 3.3Å; R127-Q244 VanDerWaalsContact NH1-NE2 3.14Å; A242-Q244 VanDerWaalsContact C-N 3.33Å; A242-Q244 PolarHBondContact O-N 3.16Å; Q244-G246 PolarHBondContact O-N 3.27Å; Q244-R247 HydrophobicContact CG-CB 4.21Å
245N48.7Very low71.7Confident158 Ų15861.7 Ų61.785%0.84535%0.353SS*.SBendtrans-72.3100.4154.6-85.7-4.4000109.1
246G52.1Low70.3Confident77 Ų7763.7 Ų63.779%0.79437%0.374SS*.SBendtrans90.312.5163.800000118.3Q244Q244-G246 PolarHBondContact O-N 3.27Å
247R58.8Low69Low190 Ų19062.7 Ų62.772%0.71737%0.371SS*.  trans-86.3113.6174.4-79.4-175.7173.7179.6-1.3111.2Q244Q244-R247 HydrophobicContact CG-CB 4.21Å
248V63.1Low67Low105 Ų10566.8 Ų66.864%0.63640%0.398SS*.  trans-67.9133.1170.5-178.10000109.1P250V248-P250 WeakPolarHBondContact O-CD 3.4Å
249D72.8Confident65.4Low27 Ų2763.3 Ų63.314%0.14438%0.383CS..  trans-67.3120.8173.1-179.3-19.6000108.6R62 V251 D252R62-D249 IonicContact CZ-OD2 3.83Å; R62-D249 IonicContact NH1-OD1 2.7Å; R62-D249 IonicContact NH1-OD2 2.85Å; R62-D249 PolarHBondContact NH1-OD2 3.46Å; R62-D249 IonicContact NH2-OD2 2.69Å; R62-D249 PolarHBondContact NH2-OD2 3.06Å; D249-V251 PolarHBondContact O-N 3.31Å; D249-V251 WeakPolarHBondContact OD1-CB 3.27Å; D249-V251 PolarHBondContact OD1-N 3.07Å; D249-D252 HydrophobicContact CB-CB 4.46Å; D249-D252 WeakPolarHBondContact O-CB 3.31Å; D249-D252 PolarHBondContact O-N 2.95Å
250P67.9Low63.9Low81 Ų8163.5 Ų63.553%0.52638%0.384SS..THydrogen-bonded Turntrans-60.9-16.3-177.924.7-34.6000113.4L36 V248L36-P250 HydrophobicContact CD2-CB 4.39Å; L36-P250 HydrophobicContact CD2-CG 4.18Å; V248-P250 WeakPolarHBondContact O-CD 3.4Å
251V74.8Confident62.9Low2 Ų267 Ų671%0.01240%0.403CS..THydrogen-bonded Turntrans-86.4-16.4175.7-175.20000112.4L36 Y58 R59 D249 E253 L254 V255L36-V251 HydrophobicContact CD1-CG2 3.96Å; L36-V251 HydrophobicContact CD2-CG2 3.51Å; L36-V251 HydrophobicContact CG-CG2 4.3Å; Y58-V251 HydrophobicContact CD1-CG1 4.18Å; Y58-V251 HydrophobicContact CE1-CB 4.46Å; Y58-V251 HydrophobicContact CE1-CG1 3.85Å; Y58-V251 HydrophobicContact CE1-CG2 4.32Å; R59-V251 HydrophobicContact CG-CG1 4.3Å; D249-V251 PolarHBondContact O-N 3.31Å; D249-V251 WeakPolarHBondContact OD1-CB 3.27Å; D249-V251 PolarHBondContact OD1-N 3.07Å; V251-E253 PolarHBondContact O-N 3.15Å; V251-L254 CarbonylContact O-C 3.25Å; V251-L254 WeakPolarHBondContact O-CA 3.44Å; V251-L254 WeakPolarHBondContact O-CB 3.48Å; V251-L254 PolarHBondContact O-N 2.93Å; V251-V255 HydrophobicContact CG1-CG2 3.78Å; V251-V255 VanDerWaalsContact O-CG2 3.25Å; V251-V255 WeakPolarHBondContact O-CG2 3.34Å; V251-V255 PolarHBondContact O-N 3.22Å
252D78.9Confident62.6Low13 Ų1368.9 Ų68.97%0.0742%0.416CS..Hα-helixtrans-64-37.9-179-81.4-27.8000112.8R62 V68 R69 D249 L254 V255 G256R62-D252 IonicContact CZ-OD1 3.64Å; R62-D252 IonicContact NH2-OD1 2.93Å; R62-D252 PolarHBondContact NH2-OD1 3.03Å; V68-D252 WeakPolarHBondContact CA-OD1 3.33Å; R69-D252 WeakPolarHBondContact CA-OD2 3.32Å; R69-D252 HydrophobicContact CG-CB 4.17Å; R69-D252 PolarHBondContact N-OD1 2.85Å; R69-D252 PolarHBondContact N-OD2 2.79Å; D249-D252 HydrophobicContact CB-CB 4.46Å; D249-D252 WeakPolarHBondContact O-CB 3.31Å; D249-D252 PolarHBondContact O-N 2.95Å; D252-L254 PolarHBondContact O-N 2.82Å; D252-V255 PolarHBondContact O-N 3Å; D252-G256 PolarHBondContact O-N 2.98Å
253E73.5Confident63.7Low95 Ų9565.4 Ų65.444%0.44439%0.387SS..Hα-helixtrans-61.6-36.9172.5-67.7-174.917800111.2S30 V251S30-E253 PolarHBondContact OG-OE2 2.8Å; S30-E253 VanDerWaalsContact OG-OE2 3.12Å; V251-E253 PolarHBondContact O-N 3.15Å
254L71.1Confident65.2Low4 Ų465.5 Ų65.52%0.02138%0.375CS..Hα-helixtrans-76.1-35-177.9-58169.7000111.8W23 T24 V29 L32 F55 R59 V251 D252 G256 I257W23-L254 HydrophobicContact CZ3-CD2 4.16Å; T24-L254 HydrophobicContact CG2-CD2 3.55Å; V29-L254 HydrophobicContact CB-CD2 4.46Å; V29-L254 HydrophobicContact CG2-CD2 3.57Å; L32-L254 HydrophobicContact CD1-CD1 3.36Å; F55-L254 HydrophobicContact CE2-CD1 4.19Å; F55-L254 HydrophobicContact CZ-CD1 4.05Å; R59-L254 PolarHBondContact NE-O 3Å; R59-L254 PolarHBondContact NH2-O 2.98Å; V251-L254 CarbonylContact O-C 3.25Å; V251-L254 WeakPolarHBondContact O-CA 3.44Å; V251-L254 WeakPolarHBondContact O-CB 3.48Å; V251-L254 PolarHBondContact O-N 2.93Å; D252-L254 PolarHBondContact O-N 2.82Å; L254-G256 VanDerWaalsContact C-N 3.26Å; L254-G256 PolarHBondContact O-N 2.83Å; L254-I257 PolarHBondContact O-N 2.96Å
255V69.6Low66.9Low1 Ų163.8 Ų63.81%0.00637%0.367CS..Hα-helixtrans-66.8-30.7-179.7177.50000111.5R59 R62 L63 V68 V251 D252 I257R59-V255 HydrophobicContact CB-CG2 4.47Å; R59-V255 HydrophobicContact CG-CG2 4.31Å; R62-V255 HydrophobicContact CB-CG1 4.04Å; R62-V255 HydrophobicContact CB-CG2 3.92Å; L63-V255 HydrophobicContact CB-CG1 3.71Å; L63-V255 HydrophobicContact CD1-CG1 4.19Å; V68-V255 HydrophobicContact CG2-CB 4.33Å; V68-V255 HydrophobicContact CG2-CG1 3.5Å; V251-V255 HydrophobicContact CG1-CG2 3.78Å; V251-V255 VanDerWaalsContact O-CG2 3.25Å; V251-V255 WeakPolarHBondContact O-CG2 3.34Å; V251-V255 PolarHBondContact O-N 3.22Å; D252-V255 PolarHBondContact O-N 3Å; V255-I257 VanDerWaalsContact C-N 3.26Å; V255-I257 PolarHBondContact O-N 3Å
256G58.7Low68.7Low56 Ų5659.4 Ų59.458%0.57735%0.345SS*.THydrogen-bonded Turntrans-71.7-13.2177.900000115.2D252 L254 P258D252-G256 PolarHBondContact O-N 2.98Å; L254-G256 VanDerWaalsContact C-N 3.26Å; L254-G256 PolarHBondContact O-N 2.83Å; G256-P258 WeakPolarHBondContact O-CD 3.43Å
257I57.6Low70.1Confident13 Ų1358.1 Ų58.17%0.06732%0.323CS..SBendtrans-75.7117.6175.4-62.7168.6000109.2W23 H27 V29 R59 L254 V255 L259W23-I257 HydrophobicContact CH2-CB 3.79Å; W23-I257 HydrophobicContact CH2-CD1 3.42Å; W23-I257 VanDerWaalsContact CH2-CD1 3.42Å; W23-I257 HydrophobicContact CH2-CG1 4.21Å; W23-I257 HydrophobicContact CH2-CG2 3.75Å; W23-I257 HydrophobicContact CZ2-CB 4.11Å; W23-I257 HydrophobicContact CZ2-CD1 4.23Å; W23-I257 HydrophobicContact CZ2-CG2 3.57Å; W23-I257 HydrophobicContact CZ3-CD1 3.81Å; H27-I257 HydrophobicContact CB-CD1 3.6Å; H27-I257 HydrophobicContact CB-CG1 4.16Å; H27-I257 HydrophobicContact CB-CG2 3.87Å; H27-I257 WeakPolarHBondContact CD2-CG2 3.39Å; V29-I257 HydrophobicContact CB-CD1 4.02Å; V29-I257 HydrophobicContact CG1-CD1 3.51Å; V29-I257 HydrophobicContact CG1-CG1 3.92Å; V29-I257 HydrophobicContact CG2-CD1 3.35Å; R59-I257 PolarHBondContact NH2-O 3.35Å; L254-I257 PolarHBondContact O-N 2.96Å; V255-I257 VanDerWaalsContact C-N 3.26Å; V255-I257 PolarHBondContact O-N 3Å; I257-L259 PolarHBondContact O-N 3.16Å
258P50.2Low70.9Confident86 Ų8650.6 Ų50.656%0.55830%0.304SS*.PPolyproline II helixtrans-55.8128.3172.1-18.630.9000109.2G256 E260G256-P258 WeakPolarHBondContact O-CD 3.43Å; P258-E260 PolarHBondContact O-N 3.13Å
259L53.2Low71.4Confident47 Ų4751.7 Ų51.725%0.24632%0.317CS..PPolyproline II helixtrans-59.3136.1165.8-71.5163.1000106.5E60 I257 D261 S262E60-L259 HydrophobicContact CB-CD1 4.21Å; E60-L259 HydrophobicContact CG-CD1 4.3Å; I257-L259 PolarHBondContact O-N 3.16Å; L259-D261 PolarHBondContact O-N 3.13Å; L259-S262 PolarHBondContact N-OG 3.5Å; L259-S262 PolarHBondContact O-N 3.07Å; L259-S262 PolarHBondContact O-OG 3.47Å
260E51.6Low71.7Confident146 Ų14656 Ų5668%0.68234%0.336SS*.THydrogen-bonded Turntrans-50.4-25.5178.2-72.4-175.4156.600111.5P258 K354P258-E260 PolarHBondContact O-N 3.13Å; E260-K354 WeakPolarHBondContact O-CE 3.21Å; E260-K354 PolarHBondContact O-NZ 3.07Å
261D56Low72.7Confident128 Ų12853.2 Ų53.268%0.68432%0.32SS*.THydrogen-bonded Turntrans-96.17.3177.7-76.1-26.7000117.5L259 K354L259-D261 PolarHBondContact O-N 3.13Å; D261-K354 HydrophobicContact CB-CD 4.39Å; D261-K354 WeakPolarHBondContact O-CB 3.37Å; D261-K354 IonicContact OD1-NZ 2.79Å; D261-K354 PolarHBondContact OD1-NZ 2.95Å
262S72.3Confident73.5Confident45 Ų4554.5 Ų54.532%0.31533%0.326SS..SBendtrans-87.9137176.661.70000112L259L259-S262 PolarHBondContact N-OG 3.5Å; L259-S262 PolarHBondContact O-N 3.07Å; L259-S262 PolarHBondContact O-OG 3.47Å
263S90.2Very high74.3Confident8 Ų861.6 Ų61.66%0.05635%0.352CS..  trans-63.6140.8174.6166.20000111.3H265 D349 G350 Q353S263-H265 PolarHBondContact O-N 3.45Å; S263-H265 PolarHBondContact OG-N 3.41Å; S263-D349 WeakPolarHBondContact CA-OD2 3.39Å; S263-D349 WeakPolarHBondContact OG-CB 3.18Å; S263-G350 WeakPolarHBondContact CB-O 3.48Å; S263-G350 PolarHBondContact OG-O 2.94Å; S263-Q353 VanDerWaalsContact CB-N 3.35Å
264I90.1Very high75.4Confident56 Ų5657.5 Ų57.529%0.28733%0.333SS..SBendtrans-66.7-15.5169.865.6178.8000112.7V266 D349 R534 Q538I264-V266 PolarHBondContact O-N 2.86Å; I264-D349 HydrophobicContact CG1-CB 4.15Å; I264-D349 PolarHBondContact N-OD2 3.48Å; I264-R534 HydrophobicContact CD1-CB 3.86Å; I264-R534 WeakPolarHBondContact CD1-O 3.49Å; I264-R534 HydrophobicContact CG1-CB 4.2Å; I264-R534 VanDerWaalsContact O-CD 3.28Å; I264-R534 WeakPolarHBondContact O-CD 3.37Å; I264-R534 PolarHBondContact O-NH1 3.28Å; I264-Q538 VanDerWaalsContact CD1-CD 3.41Å; I264-Q538 HydrophobicContact CD1-CG 3.75Å
265H94.5Very high76.5Confident2 Ų262.3 Ų62.31%0.00936%0.356CS..  trans-94.780.1178.1-60.7-68.7000111.8S263 D349 Y351 K352 I515 T531S263-H265 PolarHBondContact O-N 3.45Å; S263-H265 PolarHBondContact OG-N 3.41Å; H265-D349 PolarHBondContact CD2-O 2.82Å; H265-D349 VanDerWaalsContact CD2-O 3.3Å; H265-Y351 WeakPolarHBondContact O-CD2 3.28Å; H265-K352 PolarHBondContact O-N 2.86Å; H265-I515 HydrophobicContact CB-CG2 3.94Å; H265-T531 PolarHBondContact CE1-O 3.43Å
266V85.4Confident77.7Confident66 Ų6667 Ų6740%0.438%0.378SS..  trans-115.7154169.2-65.60000111I264 G268 K352 R534I264-V266 PolarHBondContact O-N 2.86Å; V266-G268 PolarHBondContact O-N 3.22Å; V266-K352 HydrophobicContact CG1-CG 4.49Å; V266-R534 PolarHBondContact O-NH1 3.44Å
267P82.1Confident79.5Confident49 Ų4964.3 Ų64.332%0.31835%0.35SS..  trans-54.9125.6176.4-24.735.3000111.2Y351 Q519 V523P267-Y351 HydrophobicContact CG-CE2 3.86Å; P267-Y351 WeakPolarHBondContact CG-OH 3.11Å; P267-Q519 HydrophobicContact CG-CG 4.32Å; P267-V523 HydrophobicContact CB-CG2 4.21Å; P267-V523 HydrophobicContact CG-CG1 4.21Å; P267-V523 HydrophobicContact CG-CG2 3.93Å
268G75Confident81.3Confident32 Ų3265.4 Ų65.433%0.3336%0.356SS..  trans-98.5164.1176.200000112.2V266 E270 A271V266-G268 PolarHBondContact O-N 3.22Å; G268-E270 PolarHBondContact O-N 2.87Å; G268-A271 VanDerWaalsContact O-CB 3.26Å; G268-A271 WeakPolarHBondContact O-CB 3.44Å; G268-A271 PolarHBondContact O-N 2.86Å
269S73.1Confident83.5Confident129 Ų12964.5 Ų64.590%0.90236%0.356SS*.THydrogen-bonded Turntrans-62.4-26.3172.648.30000113.2A271S269-A271 VanDerWaalsContact C-N 3.27Å; S269-A271 PolarHBondContact O-N 3.42Å
270E80.1Confident85.4Confident118 Ų11863.6 Ų63.655%0.55135%0.35SS*.THydrogen-bonded Turntrans-8612.7177.3-58.9177.4173.100113.3G268 N527 Q530G268-E270 PolarHBondContact O-N 2.87Å; E270-N527 PolarHBondContact O-ND2 3.23Å; E270-Q530 PolarHBondContact OE2-NE2 3.25Å
271A88.1Confident87.5Confident21 Ų2156.8 Ų56.817%0.17432%0.318CS..PPolyproline II helixtrans-73.2135.4179.700000111.5G268 S269 S525G268-A271 VanDerWaalsContact O-CB 3.26Å; G268-A271 WeakPolarHBondContact O-CB 3.44Å; G268-A271 PolarHBondContact O-N 2.86Å; S269-A271 VanDerWaalsContact C-N 3.27Å; S269-A271 PolarHBondContact O-N 3.42Å; A271-S525 WeakPolarHBondContact CB-OG 3.2Å
272M93.1Very high89.3Confident29 Ų2952.3 Ų52.314%0.14330%0.302CS..BIsolated β-bridgetrans-103.8137.4-178.8-69.4178.2-88.900110.9E276 L277 H280 S525 L526M272-E276 WeakPolarHBondContact CA-OE2 3.5Å; M272-E276 HydrophobicContact CB-CB 3.96Å; M272-E276 HydrophobicContact CG-CB 4.22Å; M272-L277 HydrophobicContact CB-CB 4.39Å; M272-L277 HydrophobicContact CE-CD1 4.21Å; M272-H280 HydrophobicContact SD-CB 3.67Å; M272-S525 CarbonylContact O-C 3.48Å; M272-S525 VanDerWaalsContact O-CA 3.25Å; M272-S525 WeakPolarHBondContact O-CA 2.94Å; M272-L526 PolarHBondContact N-O 3.1Å; M272-L526 PolarHBondContact O-N 3.21Å
273R95Very high90.4Very high162 Ų16258.4 Ų58.461%0.61132%0.318SS*.PPolyproline II helixtrans-70.6162.7164.3-64.2-175.2178.2-155.5-0.1110.5Q275 E276 L277R273-Q275 VanDerWaalsContact C-N 3.28Å; R273-Q275 PolarHBondContact O-N 3.23Å; R273-Q275 VanDerWaalsContact O-N 3.17Å; R273-E276 HydrophobicContact CB-CG 4.44Å; R273-E276 WeakPolarHBondContact CB-OE2 3.33Å; R273-E276 PolarHBondContact N-OE2 2.88Å; R273-E276 WeakPolarHBondContact O-CB 3.34Å; R273-E276 PolarHBondContact O-N 3.37Å; R273-L277 PolarHBondContact O-N 3.09Å
274P95.6Very high90.6Very high9 Ų959.6 Ų59.66%0.05832%0.324CS..Hα-helixtrans-52.3-40-179.5-30.837.5000115L277 L278 L520 A560 L565 L566P274-L277 PolarHBondContact O-N 2.78Å; P274-L278 WeakPolarHBondContact O-CB 3.25Å; P274-L278 PolarHBondContact O-N 3.35Å; P274-L520 HydrophobicContact CG-CD1 3.75Å; P274-A560 HydrophobicContact CB-CB 4.04Å; P274-A560 HydrophobicContact CG-CB 4.32Å; P274-L565 HydrophobicContact CG-CB 4.25Å; P274-L565 HydrophobicContact CG-CD1 4.34Å; P274-L566 HydrophobicContact CB-CD1 4.17Å; P274-L566 HydrophobicContact CB-CD2 3.98Å; P274-L566 HydrophobicContact CB-CG 3.9Å
275Q94.6Very high90.8Very high106 Ų10661.5 Ų61.550%0.49533%0.332SS..Hα-helixtrans-66.9-40.5177.9-65.778.1800112R273 L278 A279 L565 L566R273-Q275 VanDerWaalsContact C-N 3.28Å; R273-Q275 PolarHBondContact O-N 3.23Å; R273-Q275 VanDerWaalsContact O-N 3.17Å; Q275-L278 PolarHBondContact O-N 2.79Å; Q275-A279 WeakPolarHBondContact O-CB 3.44Å; Q275-A279 PolarHBondContact O-N 2.98Å; Q275-L565 PolarHBondContact NE2-O 3.38Å; Q275-L566 HydrophobicContact CG-CD2 3.95Å
276E95.5Very high90.8Very high99 Ų9967.6 Ų67.646%0.46336%0.355SS..Hα-helixtrans-68.8-39.4177.7-63.7167.7152.800110.7M272 R273 A279 H280M272-E276 WeakPolarHBondContact CA-OE2 3.5Å; M272-E276 HydrophobicContact CB-CB 3.96Å; M272-E276 HydrophobicContact CG-CB 4.22Å; R273-E276 HydrophobicContact CB-CG 4.44Å; R273-E276 WeakPolarHBondContact CB-OE2 3.33Å; R273-E276 PolarHBondContact N-OE2 2.88Å; R273-E276 WeakPolarHBondContact O-CB 3.34Å; R273-E276 PolarHBondContact O-N 3.37Å; E276-A279 PolarHBondContact O-N 2.9Å; E276-H280 WeakPolarHBondContact O-CB 3.36Å; E276-H280 PolarHBondContact O-N 3.48Å
277L96.2Very high91.3Very high0 Ų068.2 Ų68.20%036%0.362CS..Hα-helixtrans-62.5-42.6174.1-172.271.7000111.5M272 R273 P274 H280 L281 L526 Y553 I556 L557M272-L277 HydrophobicContact CB-CB 4.39Å; M272-L277 HydrophobicContact CE-CD1 4.21Å; R273-L277 PolarHBondContact O-N 3.09Å; P274-L277 PolarHBondContact O-N 2.78Å; L277-H280 PolarHBondContact O-N 2.63Å; L277-L281 WeakPolarHBondContact O-CB 3.25Å; L277-L281 PolarHBondContact O-N 3.28Å; L277-L526 HydrophobicContact CD1-CD1 4.22Å; L277-L526 HydrophobicContact CD2-CD1 3.99Å; L277-L526 HydrophobicContact CD2-CD2 4.4Å; L277-Y553 HydrophobicContact CD1-CD1 3.68Å; L277-Y553 HydrophobicContact CD1-CE1 3.57Å; L277-Y553 HydrophobicContact CG-CD1 4.3Å; L277-I556 HydrophobicContact CD2-CB 4.34Å; L277-I556 HydrophobicContact CD2-CG2 3.55Å; L277-L557 HydrophobicContact CB-CD2 4.31Å; L277-L557 HydrophobicContact CD2-CD2 3.89Å; L277-L557 HydrophobicContact CD2-CG 4.19Å; L277-L557 HydrophobicContact CG-CD2 4.16Å
278L95.9Very high92Very high36 Ų3666.3 Ų66.319%0.18835%0.351CS..Hα-helixtrans-62.9-46175.8-179.864.4000111.3P274 Q275 H280 L281 G282 L557 L566 H570P274-L278 WeakPolarHBondContact O-CB 3.25Å; P274-L278 PolarHBondContact O-N 3.35Å; Q275-L278 PolarHBondContact O-N 2.79Å; L278-H280 VanDerWaalsContact C-N 3.34Å; L278-L281 PolarHBondContact O-N 3.26Å; L278-G282 PolarHBondContact O-N 3Å; L278-L557 HydrophobicContact CB-CD2 4Å; L278-L557 HydrophobicContact CD1-CD1 4.07Å; L278-L557 HydrophobicContact CD1-CD2 4.43Å; L278-L566 HydrophobicContact CD2-CD2 4.29Å; L278-H570 HydrophobicContact CD2-CB 4.01Å
279A95.1Very high93.1Very high67 Ų6764.8 Ų64.855%0.55434%0.335SS*.Hα-helixtrans-64.1-39.4176.200000112Q275 E276 G282 R283Q275-A279 WeakPolarHBondContact O-CB 3.44Å; Q275-A279 PolarHBondContact O-N 2.98Å; E276-A279 PolarHBondContact O-N 2.9Å; A279-G282 PolarHBondContact O-N 3.46Å; A279-R283 WeakPolarHBondContact O-CB 2.82Å; A279-R283 PolarHBondContact O-N 3.25Å
280H94.6Very high94.3Very high28 Ų2861 Ų6113%0.1330%0.301CS..Hα-helixtrans-62.2-48.5175.6177.389.7000111.4M272 E276 L277 L278 G282 R283 L284 E292M272-H280 HydrophobicContact SD-CB 3.67Å; E276-H280 WeakPolarHBondContact O-CB 3.36Å; E276-H280 PolarHBondContact O-N 3.48Å; L277-H280 PolarHBondContact O-N 2.63Å; L278-H280 VanDerWaalsContact C-N 3.34Å; H280-G282 VanDerWaalsContact C-N 3.34Å; H280-G282 PolarHBondContact O-N 3.44Å; H280-R283 PolarHBondContact ND1-NH2 3.07Å; H280-R283 VanDerWaalsContact ND1-NH2 3.12Å; H280-R283 PolarHBondContact O-N 2.97Å; H280-L284 WeakPolarHBondContact NE2-CD1 3.43Å; H280-L284 PolarHBondContact O-N 3.02Å; H280-E292 IonicContact NE2-OE2 2.98Å
281L94.8Very high95.1Very high2 Ų261.5 Ų61.51%0.0130%0.304CS..Hα-helixtrans-61.9-41.2175.3-17364000111.7L277 L278 R283 L284 Q285 V289 Y550 Y553 L557 L572L277-L281 WeakPolarHBondContact O-CB 3.25Å; L277-L281 PolarHBondContact O-N 3.28Å; L278-L281 PolarHBondContact O-N 3.26Å; L281-R283 VanDerWaalsContact C-N 3.29Å; L281-R283 PolarHBondContact O-N 2.86Å; L281-L284 PolarHBondContact O-N 2.92Å; L281-Q285 WeakPolarHBondContact O-CA 3.11Å; L281-Q285 PolarHBondContact O-N 3.04Å; L281-V289 HydrophobicContact CD1-CG2 3.57Å; L281-Y550 HydrophobicContact CD1-CD2 4.31Å; L281-Y550 HydrophobicContact CD1-CE2 3.8Å; L281-Y553 HydrophobicContact CD1-CG 4.37Å; L281-L557 HydrophobicContact CB-CD1 4.39Å; L281-L557 HydrophobicContact CD2-CD1 3.33Å; L281-L557 HydrophobicContact CG-CD1 4.48Å; L281-L572 HydrophobicContact CD2-CD1 4.19Å
282G93.9Very high95.6Very high34 Ų3461.6 Ų61.635%0.35130%0.3SS..Hα-helixtrans-63.9-30.2175.400000113.7L278 A279 H280 Q285L278-G282 PolarHBondContact O-N 3Å; A279-G282 PolarHBondContact O-N 3.46Å; H280-G282 VanDerWaalsContact C-N 3.34Å; H280-G282 PolarHBondContact O-N 3.44Å; G282-Q285 PolarHBondContact O-NE2 3.45Å
283R96Very high95.8Very high173 Ų17360.6 Ų60.665%0.65330%0.295SS*.Hα-helixtrans-77.6-45.7174.4177.2175.353.393.1-1.4112.3A279 H280 L281A279-R283 WeakPolarHBondContact O-CB 2.82Å; A279-R283 PolarHBondContact O-N 3.25Å; H280-R283 PolarHBondContact ND1-NH2 3.07Å; H280-R283 VanDerWaalsContact ND1-NH2 3.12Å; H280-R283 PolarHBondContact O-N 2.97Å; L281-R283 VanDerWaalsContact C-N 3.29Å; L281-R283 PolarHBondContact O-N 2.86Å
284L94.3Very high96Very high34 Ų3455.7 Ų55.718%0.17828%0.279CS..Hα-helixtrans-70.3-35.3-179-72.3-173.4000112.3H280 L281 G288 V289 E292H280-L284 WeakPolarHBondContact NE2-CD1 3.43Å; H280-L284 PolarHBondContact O-N 3.02Å; L281-L284 PolarHBondContact O-N 2.92Å; L284-G288 WeakPolarHBondContact O-CA 3.4Å; L284-G288 PolarHBondContact O-N 2.84Å; L284-V289 HydrophobicContact CB-CG2 4.05Å; L284-V289 HydrophobicContact CD1-CG2 4Å; L284-E292 WeakPolarHBondContact CD1-OE2 3.48Å
285Q94.5Very high96.1Very high95 Ų9560.4 Ų60.444%0.44430%0.3SS..Hα-helixtrans54.6-177.5-165.9-60.7-69.5-3300111.2L281 G282 S287 G288 V289L281-Q285 WeakPolarHBondContact O-CA 3.11Å; L281-Q285 PolarHBondContact O-N 3.04Å; G282-Q285 PolarHBondContact O-NE2 3.45Å; Q285-S287 VanDerWaalsContact C-N 3.31Å; Q285-S287 PolarHBondContact O-N 2.61Å; Q285-G288 PolarHBondContact O-N 2.58Å; Q285-V289 WeakPolarHBondContact O-CG2 3.21Å; Q285-V289 PolarHBondContact O-N 3.16Å
286R94.2Very high96.1Very high131 Ų13155.3 Ų55.349%0.49428%0.277SS..Hα-helixtrans-59.6-41.9179.8-172.3177.1-179.2-178.70.2112.3V289 Y290 Y550R286-V289 PolarHBondContact O-N 2.66Å; R286-Y290 HydrophobicContact CG-CD1 3.97Å; R286-Y290 HydrophobicContact CG-CE1 3.64Å; R286-Y290 PolarHBondContact NE-OH 2.9Å; R286-Y290 PolarHBondContact NH2-OH 3.49Å; R286-Y290 WeakPolarHBondContact O-CD1 3.33Å; R286-Y290 PolarHBondContact O-N 2.71Å; R286-Y550 HydrophobicContact CB-CE2 4.15Å; R286-Y550 HydrophobicContact CG-CD1 4.46Å; R286-Y550 HydrophobicContact CG-CD2 4.39Å; R286-Y550 HydrophobicContact CG-CE1 4.33Å; R286-Y550 HydrophobicContact CG-CE2 4.26Å
287S96.1Very high96.1Very high79 Ų7957.6 Ų57.655%0.55228%0.281SS*.Hα-helixtrans-63.7-41.7-179.3510000112.7Q285 Y290 Q291Q285-S287 VanDerWaalsContact C-N 3.31Å; Q285-S287 PolarHBondContact O-N 2.61Å; S287-Y290 WeakPolarHBondContact O-CB 3.45Å; S287-Y290 PolarHBondContact O-N 2.73Å; S287-Q291 WeakPolarHBondContact O-CG 3.1Å; S287-Q291 PolarHBondContact O-N 2.88Å
288G97.5Very high96Very high8 Ų867.1 Ų67.18%0.08232%0.317CS..Hα-helixtrans-67.8-38.8177.100000112.7L284 Q285 Y290 Q291 E292L284-G288 WeakPolarHBondContact O-CA 3.4Å; L284-G288 PolarHBondContact O-N 2.84Å; Q285-G288 PolarHBondContact O-N 2.58Å; G288-Y290 VanDerWaalsContact C-N 3.28Å; G288-Y290 PolarHBondContact O-N 2.95Å; G288-Q291 WeakPolarHBondContact O-CB 3.26Å; G288-Q291 PolarHBondContact O-N 2.95Å; G288-E292 PolarHBondContact O-N 3.34Å
289V97.4Very high95.7Very high0 Ų068.9 Ų68.90%032%0.324CS..Hα-helixtrans-65.4-34.2174.3177.30000111.6L281 L284 Q285 R286 E292 Y293 Y549 Y550 Y553L281-V289 HydrophobicContact CD1-CG2 3.57Å; L284-V289 HydrophobicContact CB-CG2 4.05Å; L284-V289 HydrophobicContact CD1-CG2 4Å; Q285-V289 WeakPolarHBondContact O-CG2 3.21Å; Q285-V289 PolarHBondContact O-N 3.16Å; R286-V289 PolarHBondContact O-N 2.66Å; V289-E292 PolarHBondContact O-N 2.75Å; V289-Y293 PolarHBondContact O-N 3.24Å; V289-Y549 HydrophobicContact CG1-CD1 3.62Å; V289-Y549 HydrophobicContact CG1-CE1 3.89Å; V289-Y550 HydrophobicContact CB-CD2 3.89Å; V289-Y550 HydrophobicContact CG1-CD2 3.83Å; V289-Y550 HydrophobicContact CG1-CG 4.49Å; V289-Y550 HydrophobicContact CG2-CD2 4.1Å; V289-Y550 HydrophobicContact CG2-CE2 4.44Å; V289-Y553 HydrophobicContact CG1-CD2 3.95Å; V289-Y553 HydrophobicContact CG1-CE2 4.02Å
290Y98Very high95.2Very high49 Ų4969.7 Ų69.719%0.19233%0.331CS..Hα-helixtrans-67.1-38.2174-83.241000111.3R286 S287 G288 Y293 E294 P546 E547 Y550R286-Y290 HydrophobicContact CG-CD1 3.97Å; R286-Y290 HydrophobicContact CG-CE1 3.64Å; R286-Y290 PolarHBondContact NE-OH 2.9Å; R286-Y290 PolarHBondContact NH2-OH 3.49Å; R286-Y290 WeakPolarHBondContact O-CD1 3.33Å; R286-Y290 PolarHBondContact O-N 2.71Å; S287-Y290 WeakPolarHBondContact O-CB 3.45Å; S287-Y290 PolarHBondContact O-N 2.73Å; G288-Y290 VanDerWaalsContact C-N 3.28Å; G288-Y290 PolarHBondContact O-N 2.95Å; Y290-Y293 PolarHBondContact O-N 3.46Å; Y290-E294 WeakPolarHBondContact O-CG 3.44Å; Y290-E294 PolarHBondContact O-N 3.44Å; Y290-P546 HydrophobicContact CD1-CB 3.79Å; Y290-P546 HydrophobicContact CD2-CB 3.56Å; Y290-P546 HydrophobicContact CD2-CG 3.68Å; Y290-P546 HydrophobicContact CE1-CB 3.95Å; Y290-P546 HydrophobicContact CE2-CB 3.7Å; Y290-P546 HydrophobicContact CE2-CG 3.58Å; Y290-P546 HydrophobicContact CG-CB 3.59Å; Y290-P546 HydrophobicContact CG-CG 4.25Å; Y290-E547 WeakPolarHBondContact CE2-OE1 3.31Å; Y290-E547 VanDerWaalsContact OH-CD 3.25Å; Y290-E547 VanDerWaalsContact OH-CG 3.3Å; Y290-E547 WeakPolarHBondContact OH-CG 3.29Å; Y290-E547 PolarHBondContact OH-OE1 2.94Å; Y290-Y550 HydrophobicContact CE1-CG 4.37Å
291Q97.9Very high94.8Very high129 Ų12969.9 Ų69.960%0.60334%0.335SS*.Hα-helixtrans-64.6-43.7173.6-71171.51.400111.6S287 G288 Y293 E294 E295S287-Q291 WeakPolarHBondContact O-CG 3.1Å; S287-Q291 PolarHBondContact O-N 2.88Å; G288-Q291 WeakPolarHBondContact O-CB 3.26Å; G288-Q291 PolarHBondContact O-N 2.95Å; Q291-Y293 VanDerWaalsContact C-N 3.3Å; Q291-Y293 PolarHBondContact O-N 2.85Å; Q291-E294 WeakPolarHBondContact O-CA 3.37Å; Q291-E294 WeakPolarHBondContact O-CB 3.26Å; Q291-E294 PolarHBondContact O-N 3.37Å; Q291-E295 PolarHBondContact O-N 3.43Å
292E97.5Very high94Very high23 Ų2373.4 Ų73.411%0.10736%0.358CS..Hα-helixtrans-59.2-39.4174.6-176.5179.9109.600112H280 L284 G288 V289 E295 L296 F529 Y549 Y553H280-E292 IonicContact NE2-OE2 2.98Å; L284-E292 WeakPolarHBondContact CD1-OE2 3.48Å; G288-E292 PolarHBondContact O-N 3.34Å; V289-E292 PolarHBondContact O-N 2.75Å; E292-E295 WeakPolarHBondContact O-CB 3.35Å; E292-E295 PolarHBondContact O-N 2.9Å; E292-L296 PolarHBondContact O-N 3.37Å; E292-F529 HydrophobicContact CG-CD2 3.31Å; E292-F529 HydrophobicContact CG-CE2 3.67Å; E292-F529 HydrophobicContact CG-CG 4.33Å; E292-Y549 HydrophobicContact CB-CE1 4.29Å; E292-Y549 HydrophobicContact CG-CE1 4.03Å; E292-Y549 VanDerWaalsContact OE1-CE1 3.29Å; E292-Y549 WeakPolarHBondContact OE1-CE1 3.42Å; E292-Y549 VanDerWaalsContact OE1-CZ 3.28Å; E292-Y549 PolarHBondContact OE1-OH 3.34Å; E292-Y553 PolarHBondContact OE1-OH 2.89Å
293Y98.3Very high93.5Very high9 Ų973.5 Ų73.54%0.03536%0.359CS..Hα-helixtrans-63-41.9171.4173.3-101.3000112.5V289 Y290 Q291 E295 L296 R297 I543 Q544 T545 P546 Y549V289-Y293 PolarHBondContact O-N 3.24Å; Y290-Y293 PolarHBondContact O-N 3.46Å; Q291-Y293 VanDerWaalsContact C-N 3.3Å; Q291-Y293 PolarHBondContact O-N 2.85Å; Y293-E295 VanDerWaalsContact C-N 3.25Å; Y293-E295 PolarHBondContact O-N 2.93Å; Y293-L296 WeakPolarHBondContact O-CB 3.43Å; Y293-L296 PolarHBondContact O-N 3.5Å; Y293-R297 HydrophobicContact CE1-CB 4.41Å; Y293-R297 WeakPolarHBondContact O-CB 3.36Å; Y293-R297 PolarHBondContact O-N 2.92Å; Y293-I543 HydrophobicContact CD2-CG2 4.31Å; Y293-I543 HydrophobicContact CE2-CG2 3.97Å; Y293-I543 PolarHBondContact OH-O 3.42Å; Y293-Q544 PolarHBondContact OH-O 3.26Å; Y293-T545 PolarHBondContact OH-N 3.32Å; Y293-P546 HydrophobicContact CD1-CB 3.68Å; Y293-P546 HydrophobicContact CD1-CG 4.21Å; Y293-P546 HydrophobicContact CE1-CB 4.36Å; Y293-P546 HydrophobicContact CG-CB 4.05Å; Y293-Y549 HydrophobicContact CD2-CD1 4.5Å; Y293-Y549 HydrophobicContact CD2-CD2 4.38Å; Y293-Y549 AromaticContact CD2-CG 3.98Å; Y293-Y549 HydrophobicContact CD2-CG 3.98Å; Y293-Y549 HydrophobicContact CG-CG 4.41Å
294E97.9Very high93Very high59 Ų5967.6 Ų67.628%0.27634%0.342SS..Hα-helixtrans-65.4-29.2177.8-72.3-62.7136.900112.2Y290 Q291 R297 R298Y290-E294 WeakPolarHBondContact O-CG 3.44Å; Y290-E294 PolarHBondContact O-N 3.44Å; Q291-E294 WeakPolarHBondContact O-CA 3.37Å; Q291-E294 WeakPolarHBondContact O-CB 3.26Å; Q291-E294 PolarHBondContact O-N 3.37Å; E294-R297 PolarHBondContact O-N 3.46Å; E294-R297 IonicContact OE1-NH1 3.98Å; E294-R297 PolarHBondContact OE1-NH1 3.37Å; E294-R297 IonicContact OE2-NH1 3.65Å; E294-R297 PolarHBondContact OE2-NH1 3.05Å; E294-R298 VanDerWaalsContact O-CG 3.24Å; E294-R298 WeakPolarHBondContact O-CG 3.24Å; E294-R298 PolarHBondContact O-N 3.31Å
295E97.1Very high92.8Very high107 Ų10767.6 Ų67.650%0.534%0.34SS..Hα-helixtrans-62-50.7168.9-66.6172.2-168.900111.2Q291 E292 Y293 R297 R298 E299Q291-E295 PolarHBondContact O-N 3.43Å; E292-E295 WeakPolarHBondContact O-CB 3.35Å; E292-E295 PolarHBondContact O-N 2.9Å; Y293-E295 VanDerWaalsContact C-N 3.25Å; Y293-E295 PolarHBondContact O-N 2.93Å; E295-R297 PolarHBondContact O-N 3.33Å; E295-R298 PolarHBondContact O-N 2.98Å; E295-R298 VanDerWaalsContact O-N 3.17Å; E295-E299 PolarHBondContact O-N 3.33Å
296L96.1Very high92.5Very high0 Ų069.2 Ų69.20%035%0.348CS..Hα-helixtrans-60.4-32.6175.7-65.9173.2000113.1E292 Y293 F529 V532 R533 R536 Y549E292-L296 PolarHBondContact O-N 3.37Å; Y293-L296 WeakPolarHBondContact O-CB 3.43Å; Y293-L296 PolarHBondContact O-N 3.5Å; L296-F529 HydrophobicContact CD1-CD2 3.97Å; L296-F529 HydrophobicContact CD1-CE2 4.19Å; L296-F529 HydrophobicContact CD2-CD2 3.85Å; L296-F529 HydrophobicContact CD2-CE1 4.41Å; L296-F529 HydrophobicContact CD2-CE2 3.48Å; L296-F529 VanDerWaalsContact CD2-CE2 3.48Å; L296-F529 HydrophobicContact CD2-CZ 3.79Å; L296-F529 HydrophobicContact CG-CD2 3.89Å; L296-F529 HydrophobicContact CG-CE2 3.59Å; L296-F529 HydrophobicContact CG-CZ 4.35Å; L296-V532 HydrophobicContact CD1-CB 4.16Å; L296-V532 HydrophobicContact CD1-CG1 3.9Å; L296-R533 HydrophobicContact CD2-CB 3.56Å; L296-R533 HydrophobicContact CD2-CG 3.83Å; L296-R536 PolarHBondContact O-NE 2.97Å; L296-R536 PolarHBondContact O-NH2 3.11Å; L296-Y549 HydrophobicContact CD1-CD2 4.27Å; L296-Y549 HydrophobicContact CD1-CE2 3.57Å
297R95Very high92.3Very high146 Ų14664 Ų6455%0.55133%0.331SS*.Hα-helixtrans-73-32.8179.3-174.2-179.1171.2-164.8-2112.3Y293 E294 E295 E299Y293-R297 HydrophobicContact CE1-CB 4.41Å; Y293-R297 WeakPolarHBondContact O-CB 3.36Å; Y293-R297 PolarHBondContact O-N 2.92Å; E294-R297 PolarHBondContact O-N 3.46Å; E294-R297 IonicContact OE1-NH1 3.98Å; E294-R297 PolarHBondContact OE1-NH1 3.37Å; E294-R297 IonicContact OE2-NH1 3.65Å; E294-R297 PolarHBondContact OE2-NH1 3.05Å; E295-R297 PolarHBondContact O-N 3.33Å; R297-E299 VanDerWaalsContact C-N 3.32Å
298R94.1Very high92.2Very high201 Ų20160.2 Ų60.276%0.75831%0.305SS*.Hα-helixtrans-73.8-23177.3-73.3169-172.6175.73.4112.8E294 E295 A300E294-R298 VanDerWaalsContact O-CG 3.24Å; E294-R298 WeakPolarHBondContact O-CG 3.24Å; E294-R298 PolarHBondContact O-N 3.31Å; E295-R298 PolarHBondContact O-N 2.98Å; E295-R298 VanDerWaalsContact O-N 3.17Å; R298-A300 PolarHBondContact O-N 2.68Å
299E89.1Confident92.1Very high73 Ų7364.6 Ų64.634%0.34132%0.323SS..SBendtrans-65.7124.5174.3-64-168.6163.900111.1E295 R297 R533E295-E299 PolarHBondContact O-N 3.33Å; R297-E299 VanDerWaalsContact C-N 3.32Å; E299-R533 IonicContact OE1-CZ 2.77Å; E299-R533 IonicContact OE1-NE 3.8Å; E299-R533 PolarHBondContact OE1-NE 3.36Å; E299-R533 IonicContact OE1-NH2 2.71Å; E299-R533 PolarHBondContact OE1-NH2 3.26Å; E299-R533 WeakPolarHBondContact OE2-CG 3.27Å; E299-R533 IonicContact OE2-CZ 2.78Å; E299-R533 IonicContact OE2-NE 3.31Å; E299-R533 PolarHBondContact OE2-NE 2.95Å; E299-R533 IonicContact OE2-NH2 3.97Å
300A84.9Confident92Very high84 Ų8466.8 Ų66.869%0.69434%0.339SS*.PPolyproline II helixtrans-69.8137.2173.700000110.1R298R298-A300 PolarHBondContact O-N 2.68Å
301P86.4Confident91.8Very high31 Ų3168.6 Ų68.620%0.20136%0.364CS..PPolyproline II helixtrans-57132.6173.9-25.534.7000111.4G303 F305 L325 A540 F541P301-G303 PolarHBondContact O-N 3.06Å; P301-F305 HydrophobicContact CB-CE2 4.33Å; P301-F305 HydrophobicContact CB-CZ 3.92Å; P301-F305 HydrophobicContact CG-CE2 4.42Å; P301-F305 HydrophobicContact CG-CZ 4.02Å; P301-L325 HydrophobicContact CB-CD2 4.01Å; P301-A540 HydrophobicContact CB-CB 3.94Å; P301-A540 HydrophobicContact CG-CB 3.98Å; P301-F541 HydrophobicContact CG-CD1 4.27Å; P301-F541 HydrophobicContact CG-CE1 3.54Å; P301-F541 HydrophobicContact CG-CZ 3.69Å
302P78.1Confident91.5Very high77 Ų7767.7 Ų67.750%0.536%0.355SS..SBendtrans-77.492.5178.331.2-33.7000109.6T537P302-T537 VanDerWaalsContact CG-CB 3.45Å; P302-T537 HydrophobicContact CG-CG2 3.67Å
303G83.6Confident91.5Very high36 Ų3666.6 Ų66.637%0.37135%0.35SS..SBendtrans152.9-161.8176.700000113.7P301 Q327P301-G303 PolarHBondContact O-N 3.06Å; G303-Q327 VanDerWaalsContact CA-OE1 3.3Å
304T84Confident91.3Very high49 Ų4971.8 Ų71.830%0.30138%0.375SS..  trans-128160.4-174.856.30000110.7L325 D326 Q327T304-L325 CarbonylContact O-C 3.46Å; T304-L325 WeakPolarHBondContact O-CA 3.19Å; T304-D326 VanDerWaalsContact CB-OD2 3.27Å; T304-D326 WeakPolarHBondContact CB-OD2 3.48Å; T304-D326 PolarHBondContact O-N 3.2Å; T304-D326 PolarHBondContact OG1-OD2 2.9Å; T304-Q327 VanDerWaalsContact N-OE1 3.08Å; T304-Q327 PolarHBondContact OG1-NE2 2.91Å
305F90.4Very high91.3Very high33 Ų3374 Ų7415%0.14539%0.385CS..  trans-121.320.6-179.1-60-82.1000112.3P301 C307 S308 Q309 L323 C324 L325 D326 A540 F541P301-F305 HydrophobicContact CB-CE2 4.33Å; P301-F305 HydrophobicContact CB-CZ 3.92Å; P301-F305 HydrophobicContact CG-CE2 4.42Å; P301-F305 HydrophobicContact CG-CZ 4.02Å; F305-C307 PolarHBondContact O-N 3.38Å; F305-S308 WeakPolarHBondContact O-CB 3.49Å; F305-S308 PolarHBondContact O-N 3.37Å; F305-S308 VanDerWaalsContact O-N 3.16Å; F305-Q309 HydrophobicContact CB-CG 4.19Å; F305-Q309 WeakPolarHBondContact O-CB 3.34Å; F305-Q309 VanDerWaalsContact O-CG 3.29Å; F305-Q309 WeakPolarHBondContact O-CG 3.11Å; F305-Q309 PolarHBondContact O-N 2.9Å; F305-L323 HydrophobicContact CB-CB 4.25Å; F305-L323 HydrophobicContact CB-CD1 4.01Å; F305-L323 HydrophobicContact CD1-CB 3.51Å; F305-L323 HydrophobicContact CE1-CB 4.15Å; F305-L323 HydrophobicContact CG-CB 4.12Å; F305-L323 HydrophobicContact CG-CD1 4.35Å; F305-C324 WeakPolarHBondContact CD1-O 3.48Å; F305-L325 HydrophobicContact CD1-CD2 4.28Å; F305-L325 HydrophobicContact CE1-CD2 3.62Å; F305-L325 HydrophobicContact CE1-CG 4.01Å; F305-L325 HydrophobicContact CE2-CD2 4.07Å; F305-L325 HydrophobicContact CZ-CD2 3.49Å; F305-L325 VanDerWaalsContact CZ-CD2 3.49Å; F305-L325 HydrophobicContact CZ-CG 4.27Å; F305-D326 PolarHBondContact N-OD2 3.09Å; F305-A540 HydrophobicContact CE1-CB 3.88Å; F305-A540 HydrophobicContact CZ-CB 3.83Å; F305-F541 HydrophobicContact CE1-CE2 4.26Å; F305-F541 AromaticContact CZ-CE2 3.97Å; F305-F541 HydrophobicContact CZ-CE2 3.97Å; F305-F541 HydrophobicContact CZ-CZ 4.05Å
306H89.4Confident91.3Very high129 Ų12970 Ų7060%0.59737%0.366SS*.Hα-helixtrans-59.4-43.1-168.8-65-53000112.6Q309 S310 D326H306-Q309 PolarHBondContact O-N 3.23Å; H306-S310 PolarHBondContact O-N 3.24Å; H306-D326 WeakPolarHBondContact CB-OD2 3.06Å; H306-D326 IonicContact CD2-OD2 2.73Å; H306-D326 IonicContact CG-OD2 3.33Å; H306-D326 PolarHBondContact N-OD1 3.03Å; H306-D326 PolarHBondContact N-OD2 3.47Å
307C90.5Very high91.4Very high22 Ų2270.7 Ų70.715%0.14937%0.37CS..Hα-helixtrans-65.9-43.7179.2-170.70000111.1F305 Q309 S310 N313 D326 Y342F305-C307 PolarHBondContact O-N 3.38Å; C307-Q309 VanDerWaalsContact C-N 3.29Å; C307-Q309 PolarHBondContact O-N 3.28Å; C307-S310 PolarHBondContact O-N 2.74Å; C307-S310 PolarHBondContact O-OG 2.96Å; C307-N313 WeakPolarHBondContact O-CB 3.48Å; C307-N313 PolarHBondContact O-ND2 3.48Å; C307-N313 PolarHBondContact SG-ND2 2.8Å; C307-D326 WeakPolarHBondContact CB-OD1 3.39Å; C307-D326 PolarHBondContact N-OD1 3.39Å; C307-Y342 HydrophobicContact CB-CD2 4.43Å
308S94Very high91.5Very high0 Ų065.6 Ų65.60%035%0.351CS..Hα-helixtrans-64.1-32.2177.7-167.80000112.9F305 N317 L323 C324 Y342F305-S308 WeakPolarHBondContact O-CB 3.49Å; F305-S308 PolarHBondContact O-N 3.37Å; F305-S308 VanDerWaalsContact O-N 3.16Å; S308-N317 PolarHBondContact O-ND2 3.03Å; S308-L323 WeakPolarHBondContact OG-CA 3.31Å; S308-L323 VanDerWaalsContact OG-CB 3.29Å; S308-L323 WeakPolarHBondContact OG-CB 3.46Å; S308-L323 WeakPolarHBondContact OG-CD2 3.47Å; S308-C324 PolarHBondContact OG-N 2.95Å; S308-Y342 WeakPolarHBondContact CB-OH 3.44Å; S308-Y342 PolarHBondContact OG-OH 3.3Å
309Q94.6Very high91.6Very high100 Ų10059.7 Ų59.747%0.46733%0.329SS..Hα-helixtrans-87.1-16.6-179.4-70.1176.6-3500114F305 H306 C307 A311 Q314 L323F305-Q309 HydrophobicContact CB-CG 4.19Å; F305-Q309 WeakPolarHBondContact O-CB 3.34Å; F305-Q309 VanDerWaalsContact O-CG 3.29Å; F305-Q309 WeakPolarHBondContact O-CG 3.11Å; F305-Q309 PolarHBondContact O-N 2.9Å; H306-Q309 PolarHBondContact O-N 3.23Å; C307-Q309 VanDerWaalsContact C-N 3.29Å; C307-Q309 PolarHBondContact O-N 3.28Å; Q309-A311 PolarHBondContact O-N 2.93Å; Q309-Q314 PolarHBondContact O-NE2 3.02Å; Q309-L323 HydrophobicContact CG-CD1 3.53Å
310S94.9Very high91.9Very high46 Ų4659.4 Ų59.432%0.32235%0.346SS..SBendtrans-56.1140.6-17971.30000111.3H306 C307 Y312 N313 Q314H306-S310 PolarHBondContact O-N 3.24Å; C307-S310 PolarHBondContact O-N 2.74Å; C307-S310 PolarHBondContact O-OG 2.96Å; S310-Y312 PolarHBondContact O-N 3.21Å; S310-N313 PolarHBondContact O-N 3.39Å; S310-N313 WeakPolarHBondContact OG-CB 3.43Å; S310-N313 PolarHBondContact OG-ND2 3.01Å; S310-Q314 PolarHBondContact O-N 2.88Å
311A94.3Very high92.2Very high87 Ų8761.1 Ų61.172%0.71934%0.344SS*.THydrogen-bonded Turntrans-53.9-34.9-171.500000113.4Q309 N313Q309-A311 PolarHBondContact O-N 2.93Å; A311-N313 VanDerWaalsContact C-N 3.31Å; A311-N313 PolarHBondContact O-N 2.85Å
312Y91.7Very high92.7Very high109 Ų10960 Ų6043%0.42734%0.336SS..THydrogen-bonded Turntrans-71.4-23.6179-164.5-98.4000113.7S310 R339S310-Y312 PolarHBondContact O-N 3.21Å; Y312-R339 HydrophobicContact CD1-CB 4.14Å; Y312-R339 HydrophobicContact CD2-CB 4.42Å; Y312-R339 HydrophobicContact CE1-CB 3.73Å; Y312-R339 HydrophobicContact CE2-CB 4.07Å; Y312-R339 HydrophobicContact CE2-CG 4.32Å; Y312-R339 HydrophobicContact CG-CB 4.45Å
313N96.4Very high93.5Very high0 Ų057.2 Ų57.20%032%0.317CS..THydrogen-bonded Turntrans-102-13-174-70.2-19.9000113.8C307 S310 A311 E315 K316 N317 S340 Y342C307-N313 WeakPolarHBondContact O-CB 3.48Å; C307-N313 PolarHBondContact O-ND2 3.48Å; C307-N313 PolarHBondContact SG-ND2 2.8Å; S310-N313 PolarHBondContact O-N 3.39Å; S310-N313 WeakPolarHBondContact OG-CB 3.43Å; S310-N313 PolarHBondContact OG-ND2 3.01Å; A311-N313 VanDerWaalsContact C-N 3.31Å; A311-N313 PolarHBondContact O-N 2.85Å; N313-E315 PolarHBondContact O-N 3.37Å; N313-K316 WeakPolarHBondContact O-CB 3.3Å; N313-K316 PolarHBondContact O-N 3.34Å; N313-N317 PolarHBondContact O-ND2 2.87Å; N313-S340 PolarHBondContact ND2-OG 3.04Å; N313-S340 VanDerWaalsContact OD1-CB 3.27Å; N313-S340 WeakPolarHBondContact OD1-CB 3.22Å; N313-S340 PolarHBondContact OD1-OG 3.28Å; N313-Y342 HydrophobicContact CB-CD1 3.57Å; N313-Y342 HydrophobicContact CB-CE1 4.01Å; N313-Y342 HydrophobicContact CB-CG 3.91Å; N313-Y342 VanDerWaalsContact CG-CB 3.41Å; N313-Y342 WeakPolarHBondContact ND2-CB 3.43Å; N313-Y342 WeakPolarHBondContact OD1-CB 3.45Å
314Q95.8Very high94Very high118 Ų11855.5 Ų55.555%0.55130%0.299SS*.G310 helixtrans-56.1-41-178.7-72.1179.617.900112.1Q309 S310 K316 N317Q309-Q314 PolarHBondContact O-NE2 3.02Å; S310-Q314 PolarHBondContact O-N 2.88Å; Q314-K316 PolarHBondContact O-N 3.39Å; Q314-N317 WeakPolarHBondContact O-CB 3.16Å; Q314-N317 PolarHBondContact O-N 2.81Å; Q314-N317 VanDerWaalsContact O-N 3.11Å
315E95.9Very high94.1Very high105 Ų10553.2 Ų53.249%0.49129%0.285SS..G310 helixtrans-69.9-15.5178.560.2169-139.800114.4N313 N317 R366N313-E315 PolarHBondContact O-N 3.37Å; E315-N317 VanDerWaalsContact C-N 3.32Å; E315-R366 WeakPolarHBondContact O-CD 2.99Å; E315-R366 IonicContact OE1-NH1 3.19Å; E315-R366 PolarHBondContact OE1-NH1 2.9Å; E315-R366 IonicContact OE2-CZ 3.16Å; E315-R366 IonicContact OE2-NH1 2.66Å; E315-R366 PolarHBondContact OE2-NH1 3.27Å
316K97.3Very high93.6Very high24 Ų2452.7 Ų52.710%0.10428%0.284CS..G310 helixtrans-84.7-7.8173.9-61-171.5173.9-154.20112.4N313 Q314 Y342 Q361 T367 D370N313-K316 WeakPolarHBondContact O-CB 3.3Å; N313-K316 PolarHBondContact O-N 3.34Å; Q314-K316 PolarHBondContact O-N 3.39Å; K316-Y342 HydrophobicContact CB-CD1 4.01Å; K316-Y342 HydrophobicContact CB-CE1 4.06Å; K316-Y342 HydrophobicContact CD-CD1 4.05Å; K316-Y342 PolarHBondContact NZ-O 3.24Å; K316-Q361 PolarHBondContact O-NE2 3.18Å; K316-T367 HydrophobicContact CB-CG2 4.05Å; K316-T367 HydrophobicContact CG-CG2 4.21Å; K316-D370 IonicContact NZ-OD1 3.7Å; K316-D370 IonicContact NZ-OD2 3.73Å; K316-D370 PolarHBondContact NZ-OD2 3.38Å
317N98.1Very high93.6Very high15 Ų1551.6 Ų51.68%0.0828%0.279CS..  trans-92.3129.1175.5-59.6-45.1000110.4S308 N313 Q314 E315 Y319 Y342 N344S308-N317 PolarHBondContact O-ND2 3.03Å; N313-N317 PolarHBondContact O-ND2 2.87Å; Q314-N317 WeakPolarHBondContact O-CB 3.16Å; Q314-N317 PolarHBondContact O-N 2.81Å; Q314-N317 VanDerWaalsContact O-N 3.11Å; E315-N317 VanDerWaalsContact C-N 3.32Å; N317-Y319 VanDerWaalsContact C-N 3.28Å; N317-Y319 PolarHBondContact O-N 3.17Å; N317-Y342 WeakPolarHBondContact OD1-CE1 3.45Å; N317-Y342 PolarHBondContact OD1-OH 2.98Å; N317-N344 PolarHBondContact OD1-ND2 2.91Å
318R97.3Very high93.7Very high39 Ų3951.7 Ų51.715%0.14728%0.279CS..SBendtrans-67-34.1175.1178.3175.3-70.8-80.7-0.4111.7G362 P363 L364 K396 S501R318-G362 PolarHBondContact NE-O 2.56Å; R318-G362 PolarHBondContact NH2-O 2.7Å; R318-P363 PolarHBondContact NH2-O 2.95Å; R318-L364 HydrophobicContact CB-CD1 4.46Å; R318-L364 HydrophobicContact CB-CD2 4.09Å; R318-L364 HydrophobicContact CB-CG 4.4Å; R318-L364 HydrophobicContact CG-CD2 4.15Å; R318-K396 VanDerWaalsContact CZ-O 3.28Å; R318-K396 PolarHBondContact NE-O 2.71Å; R318-S501 WeakPolarHBondContact CD-O 3.49Å
319Y97.1Very high93.8Very high76 Ų7652.9 Ų52.930%0.29828%0.283SS..SBendtrans-132.1128.9179.9-57.2-70.7000109N317 D321 V322 S501 A502N317-Y319 VanDerWaalsContact C-N 3.28Å; N317-Y319 PolarHBondContact O-N 3.17Å; Y319-D321 WeakPolarHBondContact CB-OD1 3.22Å; Y319-D321 PolarHBondContact O-N 3.06Å; Y319-V322 PolarHBondContact O-N 3.44Å; Y319-S501 PolarHBondContact OH-OG 3.06Å; Y319-A502 HydrophobicContact CD2-CB 3.57Å; Y319-A502 HydrophobicContact CE2-CB 3.66Å
320G94.6Very high94Very high68 Ų6848.1 Ų48.170%0.70126%0.261SS*.THydrogen-bonded Turntrans-68.2-19.6-177.600000113.9
321D92.7Very high94.1Very high120 Ų12052.8 Ų52.864%0.64227%0.272SS*.THydrogen-bonded Turntrans-96.4-4177.564.6-38.8000113.4Y319Y319-D321 WeakPolarHBondContact CB-OD1 3.22Å; Y319-D321 PolarHBondContact O-N 3.06Å
322V96Very high94.1Very high6 Ų648.9 Ų48.94%0.03624%0.239CC..  trans-115.690.5176.6-1720000110.5Y319 N344 A502 I504Y319-V322 PolarHBondContact O-N 3.44Å; V322-N344 PolarHBondContact O-ND2 3.26Å; V322-A502 HydrophobicContact CB-CB 4.35Å; V322-A502 HydrophobicContact CG1-CB 4.07Å; V322-A502 HydrophobicContact CG2-CB 4.12Å; V322-I504 HydrophobicContact CG1-CD1 3.8Å; V322-I504 HydrophobicContact CG1-CG1 4.16Å; V322-I504 HydrophobicContact CG1-CG2 3.92Å; V322-I504 HydrophobicContact CG2-CD1 3.97Å
323L95.6Very high94.1Very high20 Ų2049.5 Ų49.511%0.10524%0.244CC..  trans-105.1158.8-175-55.4176.7000111F305 S308 Q309F305-L323 HydrophobicContact CB-CB 4.25Å; F305-L323 HydrophobicContact CB-CD1 4.01Å; F305-L323 HydrophobicContact CD1-CB 3.51Å; F305-L323 HydrophobicContact CE1-CB 4.15Å; F305-L323 HydrophobicContact CG-CB 4.12Å; F305-L323 HydrophobicContact CG-CD1 4.35Å; S308-L323 WeakPolarHBondContact OG-CA 3.31Å; S308-L323 VanDerWaalsContact OG-CB 3.29Å; S308-L323 WeakPolarHBondContact OG-CB 3.46Å; S308-L323 WeakPolarHBondContact OG-CD2 3.47Å; Q309-L323 HydrophobicContact CG-CD1 3.53Å
324C92.7Very high93.5Very high0 Ų055 Ų550%028%0.279CS..  trans-102.5144.3174.170.60000111.9F305 S308 Y342F305-C324 WeakPolarHBondContact CD1-O 3.48Å; S308-C324 PolarHBondContact OG-N 2.95Å; C324-Y342 WeakPolarHBondContact SG-CE2 3.45Å; C324-Y342 PolarHBondContact SG-OH 3.23Å
325L86.4Confident92.8Very high1 Ų152.5 Ų52.51%0.00527%0.265CS..  trans-67.7136.6179.5-69167.8000110.8P301 T304 F305 Q327 T328 R329 T537 A540P301-L325 HydrophobicContact CB-CD2 4.01Å; T304-L325 CarbonylContact O-C 3.46Å; T304-L325 WeakPolarHBondContact O-CA 3.19Å; F305-L325 HydrophobicContact CD1-CD2 4.28Å; F305-L325 HydrophobicContact CE1-CD2 3.62Å; F305-L325 HydrophobicContact CE1-CG 4.01Å; F305-L325 HydrophobicContact CE2-CD2 4.07Å; F305-L325 HydrophobicContact CZ-CD2 3.49Å; F305-L325 VanDerWaalsContact CZ-CD2 3.49Å; F305-L325 HydrophobicContact CZ-CG 4.27Å; L325-Q327 PolarHBondContact O-N 2.96Å; L325-T328 PolarHBondContact O-N 2.81Å; L325-R329 WeakPolarHBondContact O-CB 3.39Å; L325-R329 PolarHBondContact O-N 3.32Å; L325-T537 VanDerWaalsContact CD1-O 3.28Å; L325-T537 WeakPolarHBondContact CD1-O 3.39Å; L325-A540 HydrophobicContact CD1-CB 4.12Å; L325-A540 HydrophobicContact CD2-CB 4.36Å; L325-A540 HydrophobicContact CG-CB 3.97Å
326D80.4Confident92Very high21 Ų2159 Ų5911%0.11229%0.285CS..THydrogen-bonded Turntrans-60.8-30.7179-67.3-43.2000112.7T304 F305 H306 C307T304-D326 VanDerWaalsContact CB-OD2 3.27Å; T304-D326 WeakPolarHBondContact CB-OD2 3.48Å; T304-D326 PolarHBondContact O-N 3.2Å; T304-D326 PolarHBondContact OG1-OD2 2.9Å; F305-D326 PolarHBondContact N-OD2 3.09Å; H306-D326 WeakPolarHBondContact CB-OD2 3.06Å; H306-D326 IonicContact CD2-OD2 2.73Å; H306-D326 IonicContact CG-OD2 3.33Å; H306-D326 PolarHBondContact N-OD1 3.03Å; H306-D326 PolarHBondContact N-OD2 3.47Å; C307-D326 WeakPolarHBondContact CB-OD1 3.39Å; C307-D326 PolarHBondContact N-OD1 3.39Å
327Q89.9Confident91Very high107 Ų10765.8 Ų65.850%0.532%0.322SS..THydrogen-bonded Turntrans-72.6-32.6-174.6-6669.530.900112.3G303 T304 L325G303-Q327 VanDerWaalsContact CA-OE1 3.3Å; T304-Q327 VanDerWaalsContact N-OE1 3.08Å; T304-Q327 PolarHBondContact OG1-NE2 2.91Å; L325-Q327 PolarHBondContact O-N 2.96Å
328T91.9Very high90.3Very high24 Ų2468.6 Ų68.615%0.14734%0.335CS..THydrogen-bonded Turntrans-120.5-1.6-172.759.10000113.3L325 S346 F347 Q538L325-T328 PolarHBondContact O-N 2.81Å; T328-S346 CarbonylContact O-C 3.55Å; T328-S346 WeakPolarHBondContact O-CA 3.47Å; T328-F347 PolarHBondContact O-N 3.05Å; T328-Q538 WeakPolarHBondContact CB-O 3.38Å; T328-Q538 HydrophobicContact CG2-CB 4.21Å; T328-Q538 HydrophobicContact CG2-CG 4.28Å; T328-Q538 PolarHBondContact OG1-O 2.68Å
329R97Very high89.6Confident24 Ų2476.7 Ų76.79%0.09137%0.366CS..EExtended strand (participates in β ladder)trans-57.2141.7178.470.7-177.7-174.287.8-0.1111.3L325 R331 D341 A345L325-R329 WeakPolarHBondContact O-CB 3.39Å; L325-R329 PolarHBondContact O-N 3.32Å; R329-R331 HydrophobicContact CG-CG 4.33Å; R329-R331 PolarHBondContact O-N 2.86Å; R329-D341 IonicContact CZ-OD1 3.55Å; R329-D341 VanDerWaalsContact CZ-OD1 3.29Å; R329-D341 IonicContact CZ-OD2 2.8Å; R329-D341 VanDerWaalsContact NH1-CG 3.26Å; R329-D341 IonicContact NH1-OD1 3.01Å; R329-D341 PolarHBondContact NH1-OD1 3.01Å; R329-D341 IonicContact NH1-OD2 3.79Å; R329-D341 PolarHBondContact NH1-OD2 3.22Å; R329-D341 IonicContact NH2-OD1 2.63Å; R329-D341 PolarHBondContact NH2-OD1 3.42Å; R329-D341 IonicContact NH2-OD2 3.47Å; R329-D341 PolarHBondContact NH2-OD2 2.9Å; R329-A345 CarbonylContact C-O 3.57Å; R329-A345 VanDerWaalsContact CA-O 3.23Å; R329-A345 WeakPolarHBondContact CA-O 3.41Å
330V98.1Very high89.2Confident1 Ų174 Ų741%0.00636%0.358CS..EExtended strand (participates in β ladder)trans-71.2130.8167.4-172.50000108.1I343 A345 F347 I358 M374 Q378V330-I343 HydrophobicContact CB-CG2 4.3Å; V330-A345 HydrophobicContact CB-CB 4.16Å; V330-A345 HydrophobicContact CG2-CB 3.94Å; V330-A345 PolarHBondContact N-O 2.82Å; V330-F347 HydrophobicContact CB-CE2 4.22Å; V330-F347 HydrophobicContact CB-CZ 4.46Å; V330-F347 HydrophobicContact CG1-CE2 4.18Å; V330-F347 HydrophobicContact CG1-CZ 4.04Å; V330-F347 HydrophobicContact CG2-CD1 4.36Å; V330-F347 HydrophobicContact CG2-CD2 3.98Å; V330-F347 HydrophobicContact CG2-CE1 4.25Å; V330-F347 HydrophobicContact CG2-CE2 3.87Å; V330-F347 HydrophobicContact CG2-CG 4.24Å; V330-F347 HydrophobicContact CG2-CZ 4.01Å; V330-I358 HydrophobicContact CG2-CD1 4.18Å; V330-I358 HydrophobicContact CG2-CG1 3.99Å; V330-I358 HydrophobicContact CG2-CG2 3.79Å; V330-M374 HydrophobicContact CB-SD 4.15Å; V330-M374 HydrophobicContact CG1-CG 3.78Å; V330-M374 HydrophobicContact CG1-SD 4.06Å; V330-M374 HydrophobicContact CG2-SD 4.22Å; V330-Q378 HydrophobicContact CG1-CG 4.22Å
331R96.6Very high89.2Confident144 Ų14472.6 Ų72.654%0.54334%0.335SS..EExtended strand (participates in β ladder)trans-105.1120.5178.3-50.6-166.9-179-177.4-0.8108.4R329R329-R331 HydrophobicContact CG-CG 4.33Å; R329-R331 PolarHBondContact O-N 2.86Å
332L95.8Very high89.4Confident4 Ų466.9 Ų66.92%0.02130%0.304CS..PPolyproline II helixtrans-70.6143.2175.8-60.8176.8000109.5D341 I343 D370 R373 M374L332-D341 PolarHBondContact N-O 2.58Å; L332-D341 WeakPolarHBondContact O-CB 3.31Å; L332-I343 HydrophobicContact CD1-CB 4.05Å; L332-I343 HydrophobicContact CD1-CG2 4.2Å; L332-I343 HydrophobicContact CD2-CB 4.49Å; L332-I343 HydrophobicContact CD2-CG2 3.9Å; L332-I343 HydrophobicContact CG-CB 4.28Å; L332-I343 HydrophobicContact CG-CG2 3.86Å; L332-D370 HydrophobicContact CD1-CB 3.7Å; L332-D370 VanDerWaalsContact CD1-OD1 3.3Å; L332-D370 WeakPolarHBondContact CD1-OD1 3.44Å; L332-R373 HydrophobicContact CD2-CG 4.32Å; L332-M374 HydrophobicContact CD2-CB 3.74Å; L332-M374 HydrophobicContact CD2-CG 4.44Å
333K89.6Confident89.5Confident123 Ų12367 Ų6754%0.53530%0.304SS..PPolyproline II helixtrans-62.2126.5174.9-70.7-177.3-168144.80109.2R335 R373 D377K333-R335 PolarHBondContact O-N 2.93Å; K333-R373 PolarHBondContact O-NH1 3.22Å; K333-D377 WeakPolarHBondContact CD-OD1 3.48Å; K333-D377 WeakPolarHBondContact CE-OD1 3.42Å; K333-D377 WeakPolarHBondContact CG-OD2 3.38Å; K333-D377 IonicContact NZ-OD1 3.74Å; K333-D377 PolarHBondContact NZ-OD1 3.04Å
334P84.4Confident89.7Confident116 Ų11666.1 Ų66.175%0.75330%0.3SS*.PPolyproline II helixtrans-64134.4-176.324.7-32.4000110.3
335R82.4Confident90Very high65 Ų6566.1 Ų66.125%0.24530%0.3CS..  trans-106.4160.2170.9-74.3-174.3165.7138.3-1.8110.9K333 N337 E338 H413 E438K333-R335 PolarHBondContact O-N 2.93Å; R335-N337 PolarHBondContact O-N 3.25Å; R335-E338 HydrophobicContact CB-CG 4.18Å; R335-E338 PolarHBondContact O-N 3.04Å; R335-H413 PolarHBondContact NH1-CD2 2.9Å; R335-H413 PolarHBondContact NH2-CD2 3.12Å; R335-E438 IonicContact CZ-OE2 2.69Å; R335-E438 IonicContact NE-OE1 3.16Å; R335-E438 IonicContact NE-OE2 3.59Å; R335-E438 IonicContact NH2-OE2 3.03Å; R335-E438 PolarHBondContact NH2-OE2 3.39Å
336R77.3Confident90.5Very high240 Ų24066.1 Ų66.191%0.90630%0.299SS*.THydrogen-bonded Turntrans-55.8132.7174.8-70.5-175178.4-173.50.2109.1E338R336-E338 VanDerWaalsContact C-N 3.29Å; R336-E338 PolarHBondContact O-N 2.87Å
337N77.8Confident91.4Very high168 Ų16866.8 Ų66.890%0.89830%0.302SS*.THydrogen-bonded Turntrans70.55.7178.7-49.3-33.2000116.8R335R335-N337 PolarHBondContact O-N 3.25Å
338E83.4Confident91.8Very high74 Ų7461.7 Ų61.735%0.34628%0.278SS..  trans-82.3135.1170.3-75.1-176.1-169.600111.4R335 R336 R373R335-E338 HydrophobicContact CB-CG 4.18Å; R335-E338 PolarHBondContact O-N 3.04Å; R336-E338 VanDerWaalsContact C-N 3.29Å; R336-E338 PolarHBondContact O-N 2.87Å; E338-R373 VanDerWaalsContact CD-NH1 3.27Å; E338-R373 IonicContact OE1-CZ 3.87Å; E338-R373 IonicContact OE1-NH1 3.55Å; E338-R373 PolarHBondContact OE1-NH1 3.25Å; E338-R373 VanDerWaalsContact OE1-NH1 3.1Å; E338-R373 IonicContact OE1-NH2 3.9Å; E338-R373 PolarHBondContact OE1-NH2 3.24Å; E338-R373 IonicContact OE2-CZ 3.63Å; E338-R373 VanDerWaalsContact OE2-CZ 3.29Å; E338-R373 IonicContact OE2-NH1 3.62Å; E338-R373 PolarHBondContact OE2-NH1 3.18Å; E338-R373 IonicContact OE2-NH2 3.82Å; E338-R373 PolarHBondContact OE2-NH2 2.79Å
339R80.9Confident92.1Very high208 Ų20860.8 Ų60.879%0.78527%0.272SS*.SBendtrans-90.7-9.2-178.4-58.8-175.4178.8-153.10.1113.7Y312Y312-R339 HydrophobicContact CD1-CB 4.14Å; Y312-R339 HydrophobicContact CD2-CB 4.42Å; Y312-R339 HydrophobicContact CE1-CB 3.73Å; Y312-R339 HydrophobicContact CE2-CB 4.07Å; Y312-R339 HydrophobicContact CE2-CG 4.32Å; Y312-R339 HydrophobicContact CG-CB 4.45Å
340S89Confident92.2Very high20 Ų2059.7 Ų59.714%0.1427%0.268CS..  trans-153.4145.2178.7-167.40000112.5N313 Y342N313-S340 PolarHBondContact ND2-OG 3.04Å; N313-S340 VanDerWaalsContact OD1-CB 3.27Å; N313-S340 WeakPolarHBondContact OD1-CB 3.22Å; N313-S340 PolarHBondContact OD1-OG 3.28Å; S340-Y342 VanDerWaalsContact C-N 3.26Å; S340-Y342 VanDerWaalsContact OG-CB 3.25Å; S340-Y342 WeakPolarHBondContact OG-CB 3.34Å; S340-Y342 PolarHBondContact OG-N 3.42Å
341D94.9Very high92.1Very high39 Ų3960.6 Ų60.621%0.20927%0.271CS..  trans-89.914.5172.867.9-8.2000112.6R329 L332R329-D341 IonicContact CZ-OD1 3.55Å; R329-D341 VanDerWaalsContact CZ-OD1 3.29Å; R329-D341 IonicContact CZ-OD2 2.8Å; R329-D341 VanDerWaalsContact NH1-CG 3.26Å; R329-D341 IonicContact NH1-OD1 3.01Å; R329-D341 PolarHBondContact NH1-OD1 3.01Å; R329-D341 IonicContact NH1-OD2 3.79Å; R329-D341 PolarHBondContact NH1-OD2 3.22Å; R329-D341 IonicContact NH2-OD1 2.63Å; R329-D341 PolarHBondContact NH2-OD1 3.42Å; R329-D341 IonicContact NH2-OD2 3.47Å; R329-D341 PolarHBondContact NH2-OD2 2.9Å; L332-D341 PolarHBondContact N-O 2.58Å; L332-D341 WeakPolarHBondContact O-CB 3.31Å
342Y97.4Very high91.9Very high0 Ų058 Ų580%026%0.264CS..EExtended strand (participates in β ladder)trans-86.5134.8-166.8-178.5-99.2000114.2C307 S308 N313 K316 N317 C324 S340 N344C307-Y342 HydrophobicContact CB-CD2 4.43Å; S308-Y342 WeakPolarHBondContact CB-OH 3.44Å; S308-Y342 PolarHBondContact OG-OH 3.3Å; N313-Y342 HydrophobicContact CB-CD1 3.57Å; N313-Y342 HydrophobicContact CB-CE1 4.01Å; N313-Y342 HydrophobicContact CB-CG 3.91Å; N313-Y342 VanDerWaalsContact CG-CB 3.41Å; N313-Y342 WeakPolarHBondContact ND2-CB 3.43Å; N313-Y342 WeakPolarHBondContact OD1-CB 3.45Å; K316-Y342 HydrophobicContact CB-CD1 4.01Å; K316-Y342 HydrophobicContact CB-CE1 4.06Å; K316-Y342 HydrophobicContact CD-CD1 4.05Å; K316-Y342 PolarHBondContact NZ-O 3.24Å; N317-Y342 WeakPolarHBondContact OD1-CE1 3.45Å; N317-Y342 PolarHBondContact OD1-OH 2.98Å; C324-Y342 WeakPolarHBondContact SG-CE2 3.45Å; C324-Y342 PolarHBondContact SG-OH 3.23Å; S340-Y342 VanDerWaalsContact C-N 3.26Å; S340-Y342 VanDerWaalsContact OG-CB 3.25Å; S340-Y342 WeakPolarHBondContact OG-CB 3.34Å; S340-Y342 PolarHBondContact OG-N 3.42Å; Y342-N344 HydrophobicContact CE1-CB 4.3Å; Y342-N344 WeakPolarHBondContact OH-CB 3.22Å; Y342-N344 PolarHBondContact OH-ND2 3.04Å
343I98.5Very high91.8Very high9 Ų958.5 Ų58.55%0.04627%0.266CS..EExtended strand (participates in β ladder)trans-138.7143.9160.3-179165.3000107.8V330 L332 A345 D370 F371 M374V330-I343 HydrophobicContact CB-CG2 4.3Å; L332-I343 HydrophobicContact CD1-CB 4.05Å; L332-I343 HydrophobicContact CD1-CG2 4.2Å; L332-I343 HydrophobicContact CD2-CB 4.49Å; L332-I343 HydrophobicContact CD2-CG2 3.9Å; L332-I343 HydrophobicContact CG-CB 4.28Å; L332-I343 HydrophobicContact CG-CG2 3.86Å; I343-A345 HydrophobicContact CG1-CB 4.29Å; I343-A345 HydrophobicContact CG2-CB 4.13Å; I343-A345 PolarHBondContact O-N 3.03Å; I343-D370 HydrophobicContact CD1-CB 4.22Å; I343-F371 HydrophobicContact CD1-CB 4.44Å; I343-M374 HydrophobicContact CD1-CB 4.22Å; I343-M374 HydrophobicContact CD1-CE 4.3Å; I343-M374 HydrophobicContact CD1-SD 3.92Å; I343-M374 HydrophobicContact CG2-SD 4.21Å
344N98.6Very high91.9Very high1 Ų155.5 Ų55.51%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-76.974.9175.8-168.4-37.5000110.8N317 V322 Y342 T360 Q361 R539N317-N344 PolarHBondContact OD1-ND2 2.91Å; V322-N344 PolarHBondContact O-ND2 3.26Å; Y342-N344 HydrophobicContact CE1-CB 4.3Å; Y342-N344 WeakPolarHBondContact OH-CB 3.22Å; Y342-N344 PolarHBondContact OH-ND2 3.04Å; N344-T360 PolarHBondContact O-OG1 3.43Å; N344-Q361 HydrophobicContact CB-CG 4.13Å; N344-Q361 PolarHBondContact ND2-OE1 3.29Å; N344-Q361 PolarHBondContact O-N 3.39Å; N344-R539 PolarHBondContact OD1-NH1 3.34Å; N344-R539 PolarHBondContact OD1-NH2 3.09Å
345A98.8Very high92.5Very high0 Ų052.6 Ų52.60%023%0.231CC..EExtended strand (participates in β ladder)trans-144.4143.7179.800000109.6R329 V330 I343 I358 G359 M374R329-A345 CarbonylContact C-O 3.57Å; R329-A345 VanDerWaalsContact CA-O 3.23Å; R329-A345 WeakPolarHBondContact CA-O 3.41Å; V330-A345 HydrophobicContact CB-CB 4.16Å; V330-A345 HydrophobicContact CG2-CB 3.94Å; V330-A345 PolarHBondContact N-O 2.82Å; I343-A345 HydrophobicContact CG1-CB 4.29Å; I343-A345 HydrophobicContact CG2-CB 4.13Å; I343-A345 PolarHBondContact O-N 3.03Å; A345-I358 HydrophobicContact CB-CG2 3.79Å; A345-G359 CarbonylContact C-O 3.44Å; A345-G359 WeakPolarHBondContact CA-O 3.48Å; A345-M374 HydrophobicContact CB-CE 4.4Å; A345-M374 HydrophobicContact CB-SD 3.53Å; A345-M374 VanDerWaalsContact CB-SD 3.53Å
346S98.8Very high93.2Very high0 Ų049.7 Ų49.70%022%0.221CC..EExtended strand (participates in β ladder)trans-127.2137.4179-54.30000110.4T328 I358 G359 Q538 R539T328-S346 CarbonylContact O-C 3.55Å; T328-S346 WeakPolarHBondContact O-CA 3.47Å; S346-I358 CarbonylContact O-C 3.59Å; S346-I358 WeakPolarHBondContact O-CA 3.45Å; S346-G359 PolarHBondContact N-O 3.15Å; S346-G359 PolarHBondContact O-N 3.15Å; S346-Q538 WeakPolarHBondContact CB-O 3.19Å; S346-R539 WeakPolarHBondContact OG-CD 3.37Å; S346-R539 PolarHBondContact OG-NH1 3.12Å
347F98.7Very high94.2Very high36 Ų3638.5 Ų38.516%0.15818%0.179CC..EExtended strand (participates in β ladder)trans-64.3139.2163.6-70-70.7000109.7T328 V330 N355 I358 Q378 P495T328-F347 PolarHBondContact O-N 3.05Å; V330-F347 HydrophobicContact CB-CE2 4.22Å; V330-F347 HydrophobicContact CB-CZ 4.46Å; V330-F347 HydrophobicContact CG1-CE2 4.18Å; V330-F347 HydrophobicContact CG1-CZ 4.04Å; V330-F347 HydrophobicContact CG2-CD1 4.36Å; V330-F347 HydrophobicContact CG2-CD2 3.98Å; V330-F347 HydrophobicContact CG2-CE1 4.25Å; V330-F347 HydrophobicContact CG2-CE2 3.87Å; V330-F347 HydrophobicContact CG2-CG 4.24Å; V330-F347 HydrophobicContact CG2-CZ 4.01Å; F347-N355 WeakPolarHBondContact CB-OD1 3.35Å; F347-N355 HydrophobicContact CD1-CB 3.97Å; F347-I358 HydrophobicContact CD1-CD1 4.37Å; F347-I358 HydrophobicContact CD1-CG1 3.8Å; F347-I358 HydrophobicContact CE1-CD1 3.93Å; F347-I358 HydrophobicContact CE1-CG1 3.89Å; F347-Q378 HydrophobicContact CZ-CG 4.46Å; F347-P495 HydrophobicContact CE1-CG 4.46Å
348M98.6Very high95.2Very high0 Ų030.5 Ų30.50%014%0.136CC..EExtended strand (participates in β ladder)trans-135.8137.3176.8-57.5171.567.700109N355 A356 Y357 C511 M535 R539M348-N355 CarbonylContact O-C 3.52Å; M348-N355 WeakPolarHBondContact O-CA 3.47Å; M348-A356 PolarHBondContact O-N 3.44Å; M348-Y357 HydrophobicContact CB-CD2 4.09Å; M348-Y357 PolarHBondContact N-O 2.93Å; M348-Y357 PolarHBondContact O-N 3.49Å; M348-C511 HydrophobicContact CE-CB 4.44Å; M348-M535 HydrophobicContact CE-CB 4.33Å; M348-M535 HydrophobicContact CE-CE 3.44Å; M348-M535 VanDerWaalsContact CE-CE 3.44Å; M348-M535 HydrophobicContact CE-CG 4.39Å; M348-R539 HydrophobicContact CE-CB 3.77Å; M348-R539 HydrophobicContact CG-CB 3.77Å; M348-R539 HydrophobicContact SD-CB 3.47Å; M348-R539 WeakPolarHBondContact SD-CB 3.02Å; M348-R539 HydrophobicContact SD-CG 3.99Å
349D98.4Very high96Very high5 Ų527 Ų273%0.02712%0.12CC..EExtended strand (participates in β ladder)trans-75.6152.1174.3-66.8-12.3000110.6S263 I264 H265 Q353 K354 N355 Y357 Q538S263-D349 WeakPolarHBondContact CA-OD2 3.39Å; S263-D349 WeakPolarHBondContact OG-CB 3.18Å; I264-D349 HydrophobicContact CG1-CB 4.15Å; I264-D349 PolarHBondContact N-OD2 3.48Å; H265-D349 PolarHBondContact CD2-O 2.82Å; H265-D349 VanDerWaalsContact CD2-O 3.3Å; D349-Q353 CarbonylContact C-O 3.58Å; D349-Q353 WeakPolarHBondContact CA-O 3.27Å; D349-K354 VanDerWaalsContact OD1-CA 3.27Å; D349-K354 WeakPolarHBondContact OD1-CA 3.28Å; D349-K354 WeakPolarHBondContact OD1-CG 3.4Å; D349-N355 PolarHBondContact OD1-N 2.86Å; D349-Y357 WeakPolarHBondContact O-CE2 3.19Å; D349-Q538 PolarHBondContact OD1-NE2 3.5Å; D349-Q538 PolarHBondContact OD2-NE2 2.76Å
350G98.2Very high96.8Very high0 Ų017.2 Ų17.20%08%0.083CC..EExtended strand (participates in β ladder)trans-111.7178.2166.700000110.6S263 K352 Q353 A356 Y357S263-G350 WeakPolarHBondContact CB-O 3.48Å; S263-G350 PolarHBondContact OG-O 2.94Å; G350-K352 PolarHBondContact O-N 3.29Å; G350-Q353 PolarHBondContact N-O 2.92Å; G350-Q353 PolarHBondContact O-N 3.33Å; G350-Q353 VanDerWaalsContact O-O 3.13Å; G350-A356 VanDerWaalsContact CA-CB 3.5Å; G350-Y357 VanDerWaalsContact CA-CE2 3.5Å
351Y96.6Very high97.3Very high20 Ų2016.5 Ų16.58%0.0788%0.078CC..THydrogen-bonded Turntrans-56.8114.8179.5179.8-112.1000111.5H265 P267 Q353 Q519 D522H265-Y351 WeakPolarHBondContact O-CD2 3.28Å; P267-Y351 HydrophobicContact CG-CE2 3.86Å; P267-Y351 WeakPolarHBondContact CG-OH 3.11Å; Y351-Q353 PolarHBondContact O-N 3.44Å; Y351-Q519 HydrophobicContact CD2-CB 3.64Å; Y351-Q519 HydrophobicContact CD2-CG 3.98Å; Y351-Q519 HydrophobicContact CE1-CB 4.41Å; Y351-Q519 HydrophobicContact CE2-CB 3.52Å; Y351-Q519 HydrophobicContact CE2-CG 3.36Å; Y351-Q519 HydrophobicContact CG-CB 4.15Å; Y351-D522 HydrophobicContact CE1-CB 3.61Å; Y351-D522 VanDerWaalsContact CE1-OD2 3.24Å; Y351-D522 WeakPolarHBondContact CE1-OD2 3.3Å; Y351-D522 VanDerWaalsContact CZ-OD2 3.31Å; Y351-D522 PolarHBondContact OH-OD2 2.89Å
352K91.8Very high97.5Very high89 Ų8914.7 Ų14.739%0.3877%0.068SC..THydrogen-bonded Turntrans51.325.4-174.8-62.8178.3174.7171.30114.6H265 V266 G350 D522H265-K352 PolarHBondContact O-N 2.86Å; V266-K352 HydrophobicContact CG1-CG 4.49Å; G350-K352 PolarHBondContact O-N 3.29Å; K352-D522 IonicContact NZ-OD2 2.81Å; K352-D522 PolarHBondContact NZ-OD2 3.34Å
353Q93.6Very high97.5Very high16 Ų1614.9 Ų14.98%0.0757%0.069CC..EExtended strand (participates in β ladder)trans-135.9111.1-180176.6175.24.600110.5S263 D349 G350 Y351 A356 L492S263-Q353 VanDerWaalsContact CB-N 3.35Å; D349-Q353 CarbonylContact C-O 3.58Å; D349-Q353 WeakPolarHBondContact CA-O 3.27Å; G350-Q353 PolarHBondContact N-O 2.92Å; G350-Q353 PolarHBondContact O-N 3.33Å; G350-Q353 VanDerWaalsContact O-O 3.13Å; Y351-Q353 PolarHBondContact O-N 3.44Å; Q353-A356 HydrophobicContact CB-CB 4.05Å; Q353-A356 VanDerWaalsContact CD-CB 3.48Å; Q353-A356 HydrophobicContact CG-CB 3.61Å; Q353-L492 HydrophobicContact CB-CD1 4.2Å
354K91.9Very high97.5Very high60 Ų6016 Ų1626%0.2618%0.075SC..EExtended strand (participates in β ladder)trans-68.3142.4172.5-177.3173.8172.6-171.70110.4E260 D261 D349 A356E260-K354 WeakPolarHBondContact O-CE 3.21Å; E260-K354 PolarHBondContact O-NZ 3.07Å; D261-K354 HydrophobicContact CB-CD 4.39Å; D261-K354 WeakPolarHBondContact O-CB 3.37Å; D261-K354 IonicContact OD1-NZ 2.79Å; D261-K354 PolarHBondContact OD1-NZ 2.95Å; D349-K354 VanDerWaalsContact OD1-CA 3.27Å; D349-K354 WeakPolarHBondContact OD1-CA 3.28Å; D349-K354 WeakPolarHBondContact OD1-CG 3.4Å; K354-A356 PolarHBondContact O-N 3.09Å
355N96Very high97.4Very high55 Ų5520.8 Ų20.829%0.29410%0.101SC..EExtended strand (participates in β ladder)trans5042.4179.8-60-17.3000112.7F347 M348 D349 Y357 P495F347-N355 WeakPolarHBondContact CB-OD1 3.35Å; F347-N355 HydrophobicContact CD1-CB 3.97Å; M348-N355 CarbonylContact O-C 3.52Å; M348-N355 WeakPolarHBondContact O-CA 3.47Å; D349-N355 PolarHBondContact OD1-N 2.86Å; N355-Y357 PolarHBondContact O-N 3.33Å; N355-P495 WeakPolarHBondContact O-CB 3.49Å
356A98.3Very high97.3Very high4 Ų428 Ų283%0.03313%0.128CC..EExtended strand (participates in β ladder)trans-65.3-28.8177.500000112.2M348 G350 Q353 K354 P495 M496M348-A356 PolarHBondContact O-N 3.44Å; G350-A356 VanDerWaalsContact CA-CB 3.5Å; Q353-A356 HydrophobicContact CB-CB 4.05Å; Q353-A356 VanDerWaalsContact CD-CB 3.48Å; Q353-A356 HydrophobicContact CG-CB 3.61Å; K354-A356 PolarHBondContact O-N 3.09Å; A356-P495 WeakPolarHBondContact O-CA 3.44Å; A356-M496 PolarHBondContact O-N 2.83Å
357Y98.9Very high97.2Very high5 Ų528.3 Ų28.32%0.0213%0.13CC..EExtended strand (participates in β ladder)trans-132.1157.6-177.4-33.6-79.3000111.9M348 D349 G350 N355 M496 V498 C511 D514 I515M348-Y357 HydrophobicContact CB-CD2 4.09Å; M348-Y357 PolarHBondContact N-O 2.93Å; M348-Y357 PolarHBondContact O-N 3.49Å; D349-Y357 WeakPolarHBondContact O-CE2 3.19Å; G350-Y357 VanDerWaalsContact CA-CE2 3.5Å; N355-Y357 PolarHBondContact O-N 3.33Å; Y357-M496 CarbonylContact C-O 3.58Å; Y357-M496 WeakPolarHBondContact CA-O 3.23Å; Y357-M496 HydrophobicContact CD1-CB 4.39Å; Y357-V498 HydrophobicContact CD1-CG2 4.23Å; Y357-C511 HydrophobicContact CD2-CB 4.29Å; Y357-C511 HydrophobicContact CE2-CB 4.2Å; Y357-D514 WeakPolarHBondContact CE1-OD2 3.43Å; Y357-D514 PolarHBondContact OH-OD2 3.47Å; Y357-I515 HydrophobicContact CE2-CD1 4.16Å; Y357-I515 HydrophobicContact CE2-CG1 4.16Å
358I98.9Very high97.2Very high0 Ų028.1 Ų28.10%013%0.128CC..EExtended strand (participates in β ladder)trans-114.6107.6157.5-69.6165.9000107.1V330 A345 S346 F347 M374 Q378 V380 P495 M496 V497 V498V330-I358 HydrophobicContact CG2-CD1 4.18Å; V330-I358 HydrophobicContact CG2-CG1 3.99Å; V330-I358 HydrophobicContact CG2-CG2 3.79Å; A345-I358 HydrophobicContact CB-CG2 3.79Å; S346-I358 CarbonylContact O-C 3.59Å; S346-I358 WeakPolarHBondContact O-CA 3.45Å; F347-I358 HydrophobicContact CD1-CD1 4.37Å; F347-I358 HydrophobicContact CD1-CG1 3.8Å; F347-I358 HydrophobicContact CE1-CD1 3.93Å; F347-I358 HydrophobicContact CE1-CG1 3.89Å; I358-M374 HydrophobicContact CD1-CG 4.49Å; I358-M374 HydrophobicContact CG2-CE 3.87Å; I358-M374 HydrophobicContact CG2-SD 3.71Å; I358-Q378 HydrophobicContact CD1-CB 3.92Å; I358-Q378 HydrophobicContact CD1-CG 3.8Å; I358-V380 HydrophobicContact CD1-CG2 4.45Å; I358-P495 HydrophobicContact CD1-CB 3.97Å; I358-P495 HydrophobicContact CD1-CG 3.8Å; I358-P495 HydrophobicContact CG1-CB 3.86Å; I358-P495 HydrophobicContact CG1-CG 4.2Å; I358-M496 PolarHBondContact N-O 3.5Å; I358-V497 HydrophobicContact CB-CG2 4.15Å; I358-V497 HydrophobicContact CD1-CG2 4.43Å; I358-V497 HydrophobicContact CG2-CG2 4.48Å; I358-V498 PolarHBondContact O-N 2.81Å
359G98.8Very high97.1Very high0 Ų029.4 Ų29.40%014%0.141CC..EExtended strand (participates in β ladder)trans-82.1118172.400000110.2A345 S346 V498A345-G359 CarbonylContact C-O 3.44Å; A345-G359 WeakPolarHBondContact CA-O 3.48Å; S346-G359 PolarHBondContact N-O 3.15Å; S346-G359 PolarHBondContact O-N 3.15Å; G359-V498 WeakPolarHBondContact CA-O 3.44Å
360T98.9Very high97.1Very high2 Ų230 Ų301%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-136.2157.4-175.9-176.20000112.4N344 F371 M374 V497 V498 H499 G503N344-T360 PolarHBondContact O-OG1 3.43Å; T360-F371 HydrophobicContact CG2-CD2 4.48Å; T360-F371 HydrophobicContact CG2-CE2 3.98Å; T360-M374 HydrophobicContact CG2-CE 4.35Å; T360-V497 HydrophobicContact CG2-CG1 3.78Å; T360-V498 PolarHBondContact N-O 3.03Å; T360-V498 VanDerWaalsContact N-O 3.16Å; T360-H499 HydrophobicContact CG2-CB 3.58Å; T360-H499 WeakPolarHBondContact O-CA 3.24Å; T360-H499 WeakPolarHBondContact O-CB 3.46Å; T360-G503 WeakPolarHBondContact O-CA 3.4Å
361Q98.6Very high97.1Very high6 Ų630 Ų303%0.02815%0.145CC..PPolyproline II helixtrans-67.6161.2169.171.9-18034.600111.5K316 N344 P363K316-Q361 PolarHBondContact O-NE2 3.18Å; N344-Q361 HydrophobicContact CB-CG 4.13Å; N344-Q361 PolarHBondContact ND2-OE1 3.29Å; N344-Q361 PolarHBondContact O-N 3.39Å; Q361-P363 WeakPolarHBondContact O-CD 3.44Å
362G98.6Very high97.2Very high0 Ų029 Ų290%014%0.141CC..PPolyproline II helixtrans-63.3123.1169.300000109.9R318 L364 C500 S501R318-G362 PolarHBondContact NE-O 2.56Å; R318-G362 PolarHBondContact NH2-O 2.7Å; G362-L364 PolarHBondContact O-N 2.99Å; G362-C500 WeakPolarHBondContact CA-O 3.45Å; G362-C500 PolarHBondContact N-O 3.34Å; G362-S501 PolarHBondContact N-O 2.69Å
363P98.5Very high97.5Very high4 Ų425.1 Ų25.13%0.02612%0.124CC..PPolyproline II helixtrans-53.9138.4-174.5-30.938.1000113.3R318 Q361 Y368 F371 G398 Y400R318-P363 PolarHBondContact NH2-O 2.95Å; Q361-P363 WeakPolarHBondContact O-CD 3.44Å; P363-Y368 HydrophobicContact CB-CD1 3.69Å; P363-Y368 HydrophobicContact CB-CE1 3.89Å; P363-F371 HydrophobicContact CB-CB 4.37Å; P363-F371 HydrophobicContact CB-CG 4.43Å; P363-F371 HydrophobicContact CG-CB 4.04Å; P363-F371 HydrophobicContact CG-CD1 4.2Å; P363-F371 HydrophobicContact CG-CD2 3.41Å; P363-F371 VanDerWaalsContact CG-CD2 3.41Å; P363-F371 HydrophobicContact CG-CE2 3.81Å; P363-F371 HydrophobicContact CG-CG 3.61Å; P363-F371 HydrophobicContact CG-CZ 4.37Å; P363-G398 WeakPolarHBondContact O-CA 3.41Å; P363-G398 PolarHBondContact O-N 2.85Å; P363-Y400 HydrophobicContact CB-CD1 4.03Å; P363-Y400 HydrophobicContact CB-CG 4.2Å; P363-Y400 HydrophobicContact CG-CD1 3.63Å; P363-Y400 HydrophobicContact CG-CE1 3.98Å; P363-Y400 HydrophobicContact CG-CG 3.94Å
364L97.9Very high97.7Very high33 Ų3324.4 Ų24.417%0.17312%0.12CC..PPolyproline II helixtrans-88.7156168-59.3166.5000109.2R318 G362 R366 T367 Y368R318-L364 HydrophobicContact CB-CD1 4.46Å; R318-L364 HydrophobicContact CB-CD2 4.09Å; R318-L364 HydrophobicContact CB-CG 4.4Å; R318-L364 HydrophobicContact CG-CD2 4.15Å; G362-L364 PolarHBondContact O-N 2.99Å; L364-R366 HydrophobicContact CB-CG 4.33Å; L364-R366 PolarHBondContact O-N 3.25Å; L364-R366 VanDerWaalsContact O-N 3.14Å; L364-T367 WeakPolarHBondContact CA-OG1 3.31Å; L364-T367 HydrophobicContact CB-CG2 4.39Å; L364-T367 WeakPolarHBondContact CB-OG1 3.25Å; L364-T367 PolarHBondContact N-OG1 3.48Å; L364-T367 CarbonylContact O-C 3.59Å; L364-T367 WeakPolarHBondContact O-CA 3.33Å; L364-T367 PolarHBondContact O-N 3.06Å; L364-T367 PolarHBondContact O-OG1 3.23Å; L364-Y368 VanDerWaalsContact C-CE1 3.49Å; L364-Y368 WeakPolarHBondContact O-CD1 3.37Å; L364-Y368 WeakPolarHBondContact O-CE1 3.37Å; L364-Y368 PolarHBondContact O-N 3.42Å
365D96.8Very high98Very high101 Ų10121.6 Ų21.654%0.5411%0.108SC..G310 helixtrans-48.6-45.3178.8-58.8-15.3000112.4T367 Y368D365-T367 PolarHBondContact O-N 3.28Å; D365-Y368 HydrophobicContact CB-CE2 4.28Å; D365-Y368 VanDerWaalsContact OD1-CZ 3.29Å; D365-Y368 PolarHBondContact OD1-OH 2.96Å
366R95.8Very high98.1Very high152 Ų15219.7 Ų19.757%0.57410%0.097SC*.G310 helixtrans-72.2-10.1178.468.6177.771.4-160.87.4115.5E315 L364E315-R366 WeakPolarHBondContact O-CD 2.99Å; E315-R366 IonicContact OE1-NH1 3.19Å; E315-R366 PolarHBondContact OE1-NH1 2.9Å; E315-R366 IonicContact OE2-CZ 3.16Å; E315-R366 IonicContact OE2-NH1 2.66Å; E315-R366 PolarHBondContact OE2-NH1 3.27Å; L364-R366 HydrophobicContact CB-CG 4.33Å; L364-R366 PolarHBondContact O-N 3.25Å; L364-R366 VanDerWaalsContact O-N 3.14Å
367T97.7Very high98Very high7 Ų720.6 Ų20.64%0.04310%0.101CC..G310 helixtrans-113.55.5-17760.80000113.2K316 L364 D365 G369 D370 F371K316-T367 HydrophobicContact CB-CG2 4.05Å; K316-T367 HydrophobicContact CG-CG2 4.21Å; L364-T367 WeakPolarHBondContact CA-OG1 3.31Å; L364-T367 HydrophobicContact CB-CG2 4.39Å; L364-T367 WeakPolarHBondContact CB-OG1 3.25Å; L364-T367 PolarHBondContact N-OG1 3.48Å; L364-T367 CarbonylContact O-C 3.59Å; L364-T367 WeakPolarHBondContact O-CA 3.33Å; L364-T367 PolarHBondContact O-N 3.06Å; L364-T367 PolarHBondContact O-OG1 3.23Å; D365-T367 PolarHBondContact O-N 3.28Å; T367-G369 VanDerWaalsContact C-N 3.35Å; T367-G369 PolarHBondContact O-N 3Å; T367-D370 WeakPolarHBondContact O-CB 3.32Å; T367-D370 PolarHBondContact O-N 2.89Å; T367-F371 WeakPolarHBondContact O-CB 3.4Å; T367-F371 PolarHBondContact O-N 3.03Å
368Y98.5Very high97.9Very high31 Ų3122.6 Ų22.612%0.12211%0.111CC..Hα-helixtrans-59.6-44.7177.5-63.9-20.6000112.2P363 L364 D365 D370 F371 W372 G398 Q399 Y400 Y411P363-Y368 HydrophobicContact CB-CD1 3.69Å; P363-Y368 HydrophobicContact CB-CE1 3.89Å; L364-Y368 VanDerWaalsContact C-CE1 3.49Å; L364-Y368 WeakPolarHBondContact O-CD1 3.37Å; L364-Y368 WeakPolarHBondContact O-CE1 3.37Å; L364-Y368 PolarHBondContact O-N 3.42Å; D365-Y368 HydrophobicContact CB-CE2 4.28Å; D365-Y368 VanDerWaalsContact OD1-CZ 3.29Å; D365-Y368 PolarHBondContact OD1-OH 2.96Å; Y368-D370 VanDerWaalsContact C-N 3.33Å; Y368-D370 PolarHBondContact O-N 3.42Å; Y368-F371 PolarHBondContact O-N 3.33Å; Y368-W372 VanDerWaalsContact O-CD1 3.3Å; Y368-W372 PolarHBondContact O-N 3.31Å; Y368-G398 VanDerWaalsContact OH-C 3.27Å; Y368-G398 WeakPolarHBondContact OH-CA 3.25Å; Y368-Q399 PolarHBondContact OH-N 3.41Å; Y368-Y400 VanDerWaalsContact CD1-CB 3.4Å; Y368-Y411 HydrophobicContact CD2-CD1 4.14Å; Y368-Y411 AromaticContact CD2-CE1 3.93Å; Y368-Y411 HydrophobicContact CD2-CE1 3.93Å; Y368-Y411 HydrophobicContact CG-CD1 4.28Å; Y368-Y411 HydrophobicContact CG-CE1 4.34Å
369G97.1Very high97.8Very high27 Ų2725.8 Ų25.828%0.27813%0.128SC..Hα-helixtrans-61.6-40.4175.600000112.8T367 R373T367-G369 VanDerWaalsContact C-N 3.35Å; T367-G369 PolarHBondContact O-N 3Å; G369-R373 VanDerWaalsContact O-CB 3.22Å; G369-R373 WeakPolarHBondContact O-CB 3.4Å; G369-R373 PolarHBondContact O-N 3.39Å
370D97.7Very high97.8Very high17 Ų1726 Ų269%0.09113%0.129CC..Hα-helixtrans-63.4-42.9175.4-75.7-28.1000111.7K316 L332 I343 T367 Y368 R373 M374K316-D370 IonicContact NZ-OD1 3.7Å; K316-D370 IonicContact NZ-OD2 3.73Å; K316-D370 PolarHBondContact NZ-OD2 3.38Å; L332-D370 HydrophobicContact CD1-CB 3.7Å; L332-D370 VanDerWaalsContact CD1-OD1 3.3Å; L332-D370 WeakPolarHBondContact CD1-OD1 3.44Å; I343-D370 HydrophobicContact CD1-CB 4.22Å; T367-D370 WeakPolarHBondContact O-CB 3.32Å; T367-D370 PolarHBondContact O-N 2.89Å; Y368-D370 VanDerWaalsContact C-N 3.33Å; Y368-D370 PolarHBondContact O-N 3.42Å; D370-R373 PolarHBondContact O-N 2.7Å; D370-R373 IonicContact OD1-CZ 3.69Å; D370-R373 IonicContact OD1-NE 2.73Å; D370-R373 IonicContact OD1-NH2 3.76Å; D370-R373 PolarHBondContact OD1-NH2 2.84Å; D370-M374 WeakPolarHBondContact O-CB 3.43Å; D370-M374 PolarHBondContact O-N 3.16Å
371F98.8Very high97.8Very high1 Ų126.8 Ų26.80%0.00413%0.133CC..Hα-helixtrans-63.4-49.5178.4179.8-90.7000111.9I343 T360 P363 T367 Y368 R373 M374 V375 I383 Y400 V497I343-F371 HydrophobicContact CD1-CB 4.44Å; T360-F371 HydrophobicContact CG2-CD2 4.48Å; T360-F371 HydrophobicContact CG2-CE2 3.98Å; P363-F371 HydrophobicContact CB-CB 4.37Å; P363-F371 HydrophobicContact CB-CG 4.43Å; P363-F371 HydrophobicContact CG-CB 4.04Å; P363-F371 HydrophobicContact CG-CD1 4.2Å; P363-F371 HydrophobicContact CG-CD2 3.41Å; P363-F371 VanDerWaalsContact CG-CD2 3.41Å; P363-F371 HydrophobicContact CG-CE2 3.81Å; P363-F371 HydrophobicContact CG-CG 3.61Å; P363-F371 HydrophobicContact CG-CZ 4.37Å; T367-F371 WeakPolarHBondContact O-CB 3.4Å; T367-F371 PolarHBondContact O-N 3.03Å; Y368-F371 PolarHBondContact O-N 3.33Å; F371-R373 VanDerWaalsContact C-N 3.34Å; F371-R373 PolarHBondContact O-N 3.07Å; F371-M374 HydrophobicContact CD2-CE 4.1Å; F371-M374 HydrophobicContact CE2-CE 4.23Å; F371-M374 WeakPolarHBondContact O-CB 3.48Å; F371-M374 PolarHBondContact O-N 3.38Å; F371-M374 VanDerWaalsContact O-N 3.17Å; F371-V375 HydrophobicContact CD1-CG2 4.14Å; F371-V375 HydrophobicContact CE1-CG2 3.76Å; F371-V375 HydrophobicContact CZ-CG2 4.13Å; F371-V375 WeakPolarHBondContact O-CG2 3.41Å; F371-V375 PolarHBondContact O-N 2.49Å; F371-I383 HydrophobicContact CE1-CD1 4.05Å; F371-I383 HydrophobicContact CZ-CD1 4.23Å; F371-I383 HydrophobicContact CZ-CG2 4.21Å; F371-Y400 AromaticContact CD1-CD2 3.78Å; F371-Y400 HydrophobicContact CD1-CD2 3.78Å; F371-Y400 AromaticContact CD1-CE2 3.96Å; F371-Y400 HydrophobicContact CD1-CE2 3.96Å; F371-Y400 HydrophobicContact CD1-CG 4.48Å; F371-Y400 AromaticContact CE1-CD2 3.56Å; F371-Y400 HydrophobicContact CE1-CD2 3.56Å; F371-Y400 AromaticContact CE1-CE2 3.24Å; F371-Y400 HydrophobicContact CE1-CE2 3.24Å; F371-Y400 HydrophobicContact CE1-CG 4.49Å; F371-Y400 AromaticContact CE1-CZ 3.91Å; F371-Y400 HydrophobicContact CZ-CD2 4.34Å; F371-Y400 AromaticContact CZ-CE2 3.72Å; F371-Y400 HydrophobicContact CZ-CE2 3.72Å; F371-Y400 AromaticContact CZ-CZ 3.91Å; F371-V497 HydrophobicContact CE2-CG1 3.85Å; F371-V497 HydrophobicContact CZ-CG1 3.95Å
372W98.6Very high97.8Very high0 Ų026.5 Ų26.50%013%0.132CC..Hα-helixtrans-69.4-32.5179-74.9112.8000113.2Y368 M374 V375 W376 I383 Y400 W401 Y411 I414 V416 L432 L434Y368-W372 VanDerWaalsContact O-CD1 3.3Å; Y368-W372 PolarHBondContact O-N 3.31Å; W372-M374 VanDerWaalsContact C-N 3.35Å; W372-V375 HydrophobicContact CE3-CB 4.07Å; W372-V375 HydrophobicContact CE3-CG1 3.97Å; W372-V375 HydrophobicContact CE3-CG2 4.26Å; W372-V375 HydrophobicContact CZ3-CB 4.46Å; W372-V375 HydrophobicContact CZ3-CG1 3.96Å; W372-V375 HydrophobicContact CZ3-CG2 4.46Å; W372-V375 PolarHBondContact O-N 3.5Å; W372-W376 WeakPolarHBondContact O-CB 3.16Å; W372-W376 PolarHBondContact O-N 3.28Å; W372-I383 HydrophobicContact CH2-CD1 3.83Å; W372-I383 HydrophobicContact CZ3-CD1 3.84Å; W372-Y400 AromaticContact CE2-CD2 3.89Å; W372-Y400 HydrophobicContact CH2-CE2 4.4Å; W372-Y400 AromaticContact CZ2-CD2 3.65Å; W372-Y400 HydrophobicContact CZ2-CD2 3.65Å; W372-Y400 AromaticContact CZ2-CE2 3.9Å; W372-Y400 HydrophobicContact CZ2-CE2 3.9Å; W372-Y400 WeakPolarHBondContact CZ2-O 3.16Å; W372-Y400 AromaticContact NE1-CD2 3.87Å; W372-Y400 PolarHBondContact NE1-O 2.77Å; W372-W401 HydrophobicContact CZ2-CB 4.04Å; W372-Y411 AromaticContact CD1-CD2 3.13Å; W372-Y411 AromaticContact CD1-CE2 3.77Å; W372-Y411 AromaticContact CD1-CG 3.44Å; W372-Y411 VanDerWaalsContact CD1-CG 3.44Å; W372-Y411 AromaticContact CG-CD2 3.99Å; W372-Y411 HydrophobicContact CG-CD2 3.99Å; W372-Y411 HydrophobicContact CG-CG 4.42Å; W372-Y411 AromaticContact NE1-CD2 3.23Å; W372-Y411 AromaticContact NE1-CE2 3.33Å; W372-Y411 VanDerWaalsContact NE1-CE2 3.33Å; W372-Y411 AromaticContact NE1-CG 3.88Å; W372-I414 HydrophobicContact CB-CB 4.09Å; W372-I414 HydrophobicContact CB-CG1 4.32Å; W372-I414 HydrophobicContact CB-CG2 4.22Å; W372-V416 HydrophobicContact CD2-CG2 3.66Å; W372-V416 HydrophobicContact CE3-CG2 4.05Å; W372-V416 HydrophobicContact CG-CG2 4.06Å; W372-V416 HydrophobicContact CH2-CG1 4.05Å; W372-V416 HydrophobicContact CH2-CG2 4.36Å; W372-V416 HydrophobicContact CZ2-CG1 3.91Å; W372-V416 HydrophobicContact CZ2-CG2 3.95Å; W372-V416 HydrophobicContact CZ3-CG2 4.4Å; W372-L432 HydrophobicContact CH2-CD1 3.57Å; W372-L432 HydrophobicContact CZ2-CD1 4.27Å; W372-L432 HydrophobicContact CZ3-CD1 4.5Å; W372-L434 HydrophobicContact CE3-CD1 4.13Å; W372-L434 HydrophobicContact CE3-CD2 3.73Å; W372-L434 HydrophobicContact CH2-CD2 4.3Å; W372-L434 HydrophobicContact CZ3-CD1 4.16Å; W372-L434 HydrophobicContact CZ3-CD2 3.56Å; W372-L434 HydrophobicContact CZ3-CG 4.46Å
373R97.3Very high97.8Very high7 Ų726.5 Ų26.53%0.02613%0.132CC..Hα-helixtrans-60.2-45.5168.6176.2170.856.7169.8-9.1111.3L332 K333 E338 G369 D370 F371 W376 D377L332-R373 HydrophobicContact CD2-CG 4.32Å; K333-R373 PolarHBondContact O-NH1 3.22Å; E338-R373 VanDerWaalsContact CD-NH1 3.27Å; E338-R373 IonicContact OE1-CZ 3.87Å; E338-R373 IonicContact OE1-NH1 3.55Å; E338-R373 PolarHBondContact OE1-NH1 3.25Å; E338-R373 VanDerWaalsContact OE1-NH1 3.1Å; E338-R373 IonicContact OE1-NH2 3.9Å; E338-R373 PolarHBondContact OE1-NH2 3.24Å; E338-R373 IonicContact OE2-CZ 3.63Å; E338-R373 VanDerWaalsContact OE2-CZ 3.29Å; E338-R373 IonicContact OE2-NH1 3.62Å; E338-R373 PolarHBondContact OE2-NH1 3.18Å; E338-R373 IonicContact OE2-NH2 3.82Å; E338-R373 PolarHBondContact OE2-NH2 2.79Å; G369-R373 VanDerWaalsContact O-CB 3.22Å; G369-R373 WeakPolarHBondContact O-CB 3.4Å; G369-R373 PolarHBondContact O-N 3.39Å; D370-R373 PolarHBondContact O-N 2.7Å; D370-R373 IonicContact OD1-CZ 3.69Å; D370-R373 IonicContact OD1-NE 2.73Å; D370-R373 IonicContact OD1-NH2 3.76Å; D370-R373 PolarHBondContact OD1-NH2 2.84Å; F371-R373 VanDerWaalsContact C-N 3.34Å; F371-R373 PolarHBondContact O-N 3.07Å; R373-W376 PolarHBondContact O-N 3.33Å; R373-D377 WeakPolarHBondContact CG-OD2 3.33Å; R373-D377 WeakPolarHBondContact O-CB 3.33Å; R373-D377 PolarHBondContact O-N 3.24Å
374M98.6Very high97.8Very high0 Ų026.3 Ų26.30%013%0.13CC..Hα-helixtrans-59.2-48.9176.1-175.4-174.567.900111.7V330 L332 I343 A345 I358 T360 D370 F371 W372 W376 D377 Q378 V497V330-M374 HydrophobicContact CB-SD 4.15Å; V330-M374 HydrophobicContact CG1-CG 3.78Å; V330-M374 HydrophobicContact CG1-SD 4.06Å; V330-M374 HydrophobicContact CG2-SD 4.22Å; L332-M374 HydrophobicContact CD2-CB 3.74Å; L332-M374 HydrophobicContact CD2-CG 4.44Å; I343-M374 HydrophobicContact CD1-CB 4.22Å; I343-M374 HydrophobicContact CD1-CE 4.3Å; I343-M374 HydrophobicContact CD1-SD 3.92Å; I343-M374 HydrophobicContact CG2-SD 4.21Å; A345-M374 HydrophobicContact CB-CE 4.4Å; A345-M374 HydrophobicContact CB-SD 3.53Å; A345-M374 VanDerWaalsContact CB-SD 3.53Å; I358-M374 HydrophobicContact CD1-CG 4.49Å; I358-M374 HydrophobicContact CG2-CE 3.87Å; I358-M374 HydrophobicContact CG2-SD 3.71Å; T360-M374 HydrophobicContact CG2-CE 4.35Å; D370-M374 WeakPolarHBondContact O-CB 3.43Å; D370-M374 PolarHBondContact O-N 3.16Å; F371-M374 HydrophobicContact CD2-CE 4.1Å; F371-M374 HydrophobicContact CE2-CE 4.23Å; F371-M374 WeakPolarHBondContact O-CB 3.48Å; F371-M374 PolarHBondContact O-N 3.38Å; F371-M374 VanDerWaalsContact O-N 3.17Å; W372-M374 VanDerWaalsContact C-N 3.35Å; M374-W376 VanDerWaalsContact C-N 3.28Å; M374-W376 PolarHBondContact O-N 3.2Å; M374-D377 PolarHBondContact O-N 3.14Å; M374-Q378 HydrophobicContact CG-CG 4.3Å; M374-Q378 WeakPolarHBondContact O-CB 3.43Å; M374-Q378 VanDerWaalsContact O-CG 3.29Å; M374-Q378 WeakPolarHBondContact O-CG 3.33Å; M374-Q378 PolarHBondContact O-N 3.43Å; M374-V497 HydrophobicContact CE-CG1 4.38Å; M374-V497 HydrophobicContact CE-CG2 3.99Å
375V98.8Very high97.9Very high1 Ų124.7 Ų24.71%0.00612%0.122CC..Hα-helixtrans-55.8-46.3177.8168.90000110.5F371 W372 N379 V380 I383 L434 V445 V497F371-V375 HydrophobicContact CD1-CG2 4.14Å; F371-V375 HydrophobicContact CE1-CG2 3.76Å; F371-V375 HydrophobicContact CZ-CG2 4.13Å; F371-V375 WeakPolarHBondContact O-CG2 3.41Å; F371-V375 PolarHBondContact O-N 2.49Å; W372-V375 HydrophobicContact CE3-CB 4.07Å; W372-V375 HydrophobicContact CE3-CG1 3.97Å; W372-V375 HydrophobicContact CE3-CG2 4.26Å; W372-V375 HydrophobicContact CZ3-CB 4.46Å; W372-V375 HydrophobicContact CZ3-CG1 3.96Å; W372-V375 HydrophobicContact CZ3-CG2 4.46Å; W372-V375 PolarHBondContact O-N 3.5Å; V375-N379 PolarHBondContact O-N 3.29Å; V375-V380 HydrophobicContact CB-CB 4.39Å; V375-V380 HydrophobicContact CG1-CB 3.93Å; V375-V380 HydrophobicContact CG1-CG1 4.26Å; V375-V380 WeakPolarHBondContact O-CB 3.33Å; V375-V380 PolarHBondContact O-N 2.99Å; V375-I383 HydrophobicContact CG1-CD1 4.37Å; V375-I383 HydrophobicContact CG2-CD1 4.01Å; V375-I383 HydrophobicContact CG2-CG1 4.45Å; V375-L434 HydrophobicContact CG1-CD1 3.85Å; V375-V445 HydrophobicContact CG1-CG2 4.15Å; V375-V497 HydrophobicContact CG2-CG2 4.34Å
376W97.9Very high97.9Very high15 Ų1519.9 Ų19.96%0.05710%0.096CC..Hα-helixtrans-63.7-55177.9-175-90.6000112.4W372 R373 M374 Q378 N379 I414 L434 N436 E441 R443W372-W376 WeakPolarHBondContact O-CB 3.16Å; W372-W376 PolarHBondContact O-N 3.28Å; R373-W376 PolarHBondContact O-N 3.33Å; M374-W376 VanDerWaalsContact C-N 3.28Å; M374-W376 PolarHBondContact O-N 3.2Å; W376-Q378 VanDerWaalsContact C-N 3.26Å; W376-Q378 PolarHBondContact O-N 3.37Å; W376-N379 PolarHBondContact O-N 2.84Å; W376-I414 HydrophobicContact CB-CD1 3.96Å; W376-I414 HydrophobicContact CB-CG1 4.44Å; W376-I414 HydrophobicContact CD2-CD1 3.82Å; W376-I414 HydrophobicContact CE3-CD1 3.96Å; W376-I414 HydrophobicContact CG-CD1 3.8Å; W376-L434 HydrophobicContact CE3-CB 4Å; W376-L434 HydrophobicContact CE3-CD1 4.23Å; W376-L434 HydrophobicContact CZ3-CB 3.87Å; W376-N436 HydrophobicContact CD2-CB 4.1Å; W376-N436 VanDerWaalsContact CE2-ND2 3.3Å; W376-N436 HydrophobicContact CE3-CB 4.23Å; W376-N436 HydrophobicContact CH2-CB 3.48Å; W376-N436 VanDerWaalsContact CH2-CB 3.48Å; W376-N436 HydrophobicContact CZ2-CB 3.33Å; W376-N436 HydrophobicContact CZ3-CB 3.93Å; W376-N436 PolarHBondContact NE1-ND2 3.37Å; W376-E441 HydrophobicContact CH2-CB 3.67Å; W376-E441 WeakPolarHBondContact CH2-O 3.24Å; W376-E441 HydrophobicContact CZ2-CB 3.69Å; W376-E441 WeakPolarHBondContact CZ2-OE2 3.49Å; W376-R443 HydrophobicContact CE3-CG 4.42Å; W376-R443 HydrophobicContact CH2-CB 4.46Å; W376-R443 HydrophobicContact CH2-CG 3.72Å; W376-R443 HydrophobicContact CZ3-CB 3.95Å; W376-R443 HydrophobicContact CZ3-CG 3.67Å; W376-R443 PolarHBondContact O-NH1 3.23Å
377D95.8Very high97.9Very high24 Ų2412.8 Ų12.813%0.1287%0.07CC..Hα-helixtrans-62.4-33.2-174.4-83.7-28.4000113.2K333 R373 M374 N379K333-D377 WeakPolarHBondContact CD-OD1 3.48Å; K333-D377 WeakPolarHBondContact CE-OD1 3.42Å; K333-D377 WeakPolarHBondContact CG-OD2 3.38Å; K333-D377 IonicContact NZ-OD1 3.74Å; K333-D377 PolarHBondContact NZ-OD1 3.04Å; R373-D377 WeakPolarHBondContact CG-OD2 3.33Å; R373-D377 WeakPolarHBondContact O-CB 3.33Å; R373-D377 PolarHBondContact O-N 3.24Å; M374-D377 PolarHBondContact O-N 3.14Å; D377-N379 VanDerWaalsContact C-N 3.3Å
378Q97.3Very high97.7Very high47 Ų4717.9 Ų17.922%0.229%0.089CC..THydrogen-bonded Turntrans-90.47.4-179.9-57.5-55.2-4400113.1V330 F347 I358 M374 W376 V380 P495V330-Q378 HydrophobicContact CG1-CG 4.22Å; F347-Q378 HydrophobicContact CZ-CG 4.46Å; I358-Q378 HydrophobicContact CD1-CB 3.92Å; I358-Q378 HydrophobicContact CD1-CG 3.8Å; M374-Q378 HydrophobicContact CG-CG 4.3Å; M374-Q378 WeakPolarHBondContact O-CB 3.43Å; M374-Q378 VanDerWaalsContact O-CG 3.29Å; M374-Q378 WeakPolarHBondContact O-CG 3.33Å; M374-Q378 PolarHBondContact O-N 3.43Å; W376-Q378 VanDerWaalsContact C-N 3.26Å; W376-Q378 PolarHBondContact O-N 3.37Å; Q378-V380 HydrophobicContact CB-CG2 3.94Å; Q378-V380 PolarHBondContact O-N 3.37Å; Q378-P495 HydrophobicContact CB-CG 4.17Å
379N96.4Very high97.5Very high66 Ų6618 Ų1835%0.3539%0.092SC..THydrogen-bonded Turntrans52.435.5-178.2-54-69000112.7V375 W376 D377 L381 R443 W487 P494V375-N379 PolarHBondContact O-N 3.29Å; W376-N379 PolarHBondContact O-N 2.84Å; D377-N379 VanDerWaalsContact C-N 3.3Å; N379-L381 PolarHBondContact O-N 2.84Å; N379-R443 PolarHBondContact OD1-NH1 3.38Å; N379-W487 HydrophobicContact CB-CZ3 4.33Å; N379-P494 HydrophobicContact CB-CB 4.39Å; N379-P494 VanDerWaalsContact O-CB 3.3Å; N379-P494 WeakPolarHBondContact O-CB 3.46Å; N379-P494 WeakPolarHBondContact O-CG 3.34Å
380V98.5Very high97.3Very high5 Ų520.2 Ų20.23%0.0310%0.098CC..  trans-62.6131.1-175.3170.60000109.4I358 V375 Q378 L382 I383 V445 V497I358-V380 HydrophobicContact CD1-CG2 4.45Å; V375-V380 HydrophobicContact CB-CB 4.39Å; V375-V380 HydrophobicContact CG1-CB 3.93Å; V375-V380 HydrophobicContact CG1-CG1 4.26Å; V375-V380 WeakPolarHBondContact O-CB 3.33Å; V375-V380 PolarHBondContact O-N 2.99Å; Q378-V380 HydrophobicContact CB-CG2 3.94Å; Q378-V380 PolarHBondContact O-N 3.37Å; V380-L382 VanDerWaalsContact CG1-O 3.3Å; V380-L382 WeakPolarHBondContact CG1-O 3.32Å; V380-I383 HydrophobicContact CG1-CG1 4.22Å; V380-V445 WeakPolarHBondContact O-CG2 3.21Å; V380-V497 HydrophobicContact CB-CG2 4.32Å; V380-V497 HydrophobicContact CG1-CB 4.27Å; V380-V497 HydrophobicContact CG1-CG2 3.79Å; V380-V497 HydrophobicContact CG2-CG2 3.66Å
381L98.5Very high96.9Very high18 Ų1820 Ų209%0.09410%0.096CC..  trans-98.7-25.9175.9-59176.1000112.4N379 V445 S446 M479 V480 L483 P494N379-L381 PolarHBondContact O-N 2.84Å; L381-V445 WeakPolarHBondContact O-CA 3.25Å; L381-S446 PolarHBondContact O-N 3.33Å; L381-M479 HydrophobicContact CB-CB 4.26Å; L381-M479 HydrophobicContact CB-CE 3.98Å; L381-M479 HydrophobicContact CB-SD 4.19Å; L381-M479 HydrophobicContact CD1-CB 3.89Å; L381-M479 HydrophobicContact CD2-CE 4.37Å; L381-M479 WeakPolarHBondContact O-CE 3.34Å; L381-V480 HydrophobicContact CD1-CG2 3.93Å; L381-L483 HydrophobicContact CD1-CD1 3.91Å; L381-L483 HydrophobicContact CD1-CG 4.23Å; L381-L483 HydrophobicContact CD2-CD2 4.22Å; L381-P494 HydrophobicContact CD1-CG 3.77Å; L381-P494 HydrophobicContact CG-CG 3.64Å
382L98.6Very high96.3Very high0 Ų023 Ų230%013%0.127CC..EExtended strand (participates in β ladder)trans-139.6129.9-170-157.6154000111.2V380 V384 S446 F448 V472 Q475 Q476 M496 V497V380-L382 VanDerWaalsContact CG1-O 3.3Å; V380-L382 WeakPolarHBondContact CG1-O 3.32Å; L382-V384 HydrophobicContact CD2-CG2 3.36Å; L382-S446 CarbonylContact C-O 3.57Å; L382-S446 VanDerWaalsContact CA-O 3.29Å; L382-S446 WeakPolarHBondContact CA-O 3.46Å; L382-F448 HydrophobicContact CD1-CD2 4.16Å; L382-F448 HydrophobicContact CD1-CE2 3.96Å; L382-F448 HydrophobicContact CD2-CD2 3.94Å; L382-F448 HydrophobicContact CG-CD2 4.03Å; L382-F448 HydrophobicContact CG-CE2 4.24Å; L382-V472 HydrophobicContact CD1-CG1 4.03Å; L382-V472 WeakPolarHBondContact CD1-O 3.47Å; L382-V472 HydrophobicContact CD2-CG1 3.72Å; L382-Q475 HydrophobicContact CD1-CB 4.07Å; L382-Q475 HydrophobicContact CD1-CG 4.1Å; L382-Q476 HydrophobicContact CD1-CB 4.21Å; L382-M496 HydrophobicContact CB-CE 4.48Å; L382-M496 HydrophobicContact CB-CG 4.3Å; L382-M496 HydrophobicContact CD1-CE 4.31Å; L382-M496 HydrophobicContact CD2-CE 4.01Å; L382-M496 HydrophobicContact CD2-CG 3.86Å; L382-M496 HydrophobicContact CD2-SD 3.84Å; L382-M496 HydrophobicContact CG-CE 4.5Å; L382-V497 PolarHBondContact O-N 3.09Å
383I98.9Very high95.6Very high0 Ų028.9 Ų28.90%017%0.168CC..EExtended strand (participates in β ladder)trans-112.6129.3173-58.4168.5000108.4F371 W372 V375 V380 Y400 V445 S446 F448 V497F371-I383 HydrophobicContact CE1-CD1 4.05Å; F371-I383 HydrophobicContact CZ-CD1 4.23Å; F371-I383 HydrophobicContact CZ-CG2 4.21Å; W372-I383 HydrophobicContact CH2-CD1 3.83Å; W372-I383 HydrophobicContact CZ3-CD1 3.84Å; V375-I383 HydrophobicContact CG1-CD1 4.37Å; V375-I383 HydrophobicContact CG2-CD1 4.01Å; V375-I383 HydrophobicContact CG2-CG1 4.45Å; V380-I383 HydrophobicContact CG1-CG1 4.22Å; I383-Y400 WeakPolarHBondContact CG2-OH 3.49Å; I383-V445 HydrophobicContact CD1-CG1 3.75Å; I383-V445 HydrophobicContact CG1-CG1 3.87Å; I383-S446 PolarHBondContact N-O 3.07Å; I383-F448 PolarHBondContact O-N 2.65Å; I383-V497 CarbonylContact C-O 3.48Å; I383-V497 WeakPolarHBondContact CA-O 3.27Å; I383-V497 HydrophobicContact CG1-CB 4.22Å; I383-V497 HydrophobicContact CG2-CB 4.46Å; I383-V497 HydrophobicContact CG2-CG1 4.22Å
384V98.9Very high95.3Very high0 Ų037.2 Ų37.20%020%0.199CC..EExtended strand (participates in β ladder)trans-113.4117174.5179.80000109.1L382 T386 F448 F468 V472 M496 V497 V498 H499 F510L382-V384 HydrophobicContact CD2-CG2 3.36Å; V384-T386 HydrophobicContact CG1-CG2 3.91Å; V384-F448 CarbonylContact C-O 3.57Å; V384-F448 WeakPolarHBondContact CA-O 3.22Å; V384-F468 HydrophobicContact CG1-CE1 3.76Å; V384-F468 HydrophobicContact CG1-CZ 3.92Å; V384-V472 HydrophobicContact CG2-CG1 3.86Å; V384-V472 HydrophobicContact CG2-CG2 4.11Å; V384-M496 HydrophobicContact CG2-CG 4Å; V384-M496 HydrophobicContact CG2-SD 3.46Å; V384-M496 WeakPolarHBondContact CG2-SD 3.43Å; V384-V497 PolarHBondContact N-O 2.97Å; V384-V498 HydrophobicContact CB-CB 4.46Å; V384-V498 HydrophobicContact CB-CG1 4.18Å; V384-V498 HydrophobicContact CB-CG2 4.22Å; V384-V498 HydrophobicContact CG1-CG1 4.23Å; V384-V498 WeakPolarHBondContact O-CA 3.29Å; V384-H499 PolarHBondContact O-N 2.93Å; V384-F510 HydrophobicContact CG1-CD2 4.39Å; V384-F510 HydrophobicContact CG1-CE1 4.33Å; V384-F510 HydrophobicContact CG1-CE2 4.13Å; V384-F510 HydrophobicContact CG1-CZ 4.1Å; V384-F510 HydrophobicContact CG2-CE1 4.34Å; V384-F510 HydrophobicContact CG2-CZ 4.15Å
385M98.6Very high95Very high0 Ų044 Ų440%023%0.225CC..EExtended strand (participates in β ladder)trans-107.6116.5175.3177.6169.4-176.900109.4T387 T389 C397 Y400 W401 F448 Q449 Y450 H499M385-T387 HydrophobicContact CE-CG2 4.01Å; M385-T387 WeakPolarHBondContact CE-O 3.48Å; M385-T387 HydrophobicContact CG-CG2 4.26Å; M385-T387 WeakPolarHBondContact CG-O 3.29Å; M385-T389 HydrophobicContact CE-CG2 4.39Å; M385-C397 HydrophobicContact CE-CB 3.68Å; M385-Y400 HydrophobicContact SD-CE1 4.42Å; M385-W401 HydrophobicContact CE-CH2 3.83Å; M385-W401 HydrophobicContact CE-CZ3 4.09Å; M385-W401 HydrophobicContact SD-CH2 3.42Å; M385-W401 WeakPolarHBondContact SD-CH2 3.32Å; M385-W401 HydrophobicContact SD-CZ2 4.38Å; M385-W401 HydrophobicContact SD-CZ3 3.64Å; M385-F448 PolarHBondContact N-O 2.87Å; M385-Q449 HydrophobicContact CB-CB 4.38Å; M385-Q449 HydrophobicContact CB-CG 4.29Å; M385-Q449 HydrophobicContact CG-CG 4.05Å; M385-Q449 CarbonylContact O-C 3.48Å; M385-Q449 WeakPolarHBondContact O-CA 3.47Å; M385-Q449 HydrophobicContact SD-CG 4.09Å; M385-Y450 PolarHBondContact O-N 3.42Å; M385-H499 WeakPolarHBondContact CB-NE2 3.48Å; M385-H499 VanDerWaalsContact CG-CE1 3.41Å; M385-H499 WeakPolarHBondContact CG-CE1 3.37Å
386T97.4Very high94.9Very high0 Ų045.9 Ų45.90%023%0.233CC..  trans-105.432.6-177.769.10000112.7V384 H499 C500 R506V384-T386 HydrophobicContact CG1-CG2 3.91Å; T386-H499 PolarHBondContact N-O 3.03Å; T386-H499 PolarHBondContact OG1-O 3.02Å; T386-C500 VanDerWaalsContact OG1-CB 3.27Å; T386-C500 WeakPolarHBondContact OG1-CB 3.35Å; T386-R506 WeakPolarHBondContact O-CD 3.49Å; T386-R506 PolarHBondContact O-NH1 2.82Å; T386-R506 WeakPolarHBondContact OG1-CB 3.45Å
387T95.4Very high94.9Very high3 Ų345.2 Ų45.22%0.01823%0.231CC..SBendtrans-153.5160.2-177.3-169.40000109.8M385 E391 K396 C397 Q449M385-T387 HydrophobicContact CE-CG2 4.01Å; M385-T387 WeakPolarHBondContact CE-O 3.48Å; M385-T387 HydrophobicContact CG-CG2 4.26Å; M385-T387 WeakPolarHBondContact CG-O 3.29Å; T387-E391 WeakPolarHBondContact CA-OE1 3.47Å; T387-E391 WeakPolarHBondContact CB-OE1 3.38Å; T387-E391 PolarHBondContact OG1-OE1 3.04Å; T387-K396 HydrophobicContact CG2-CB 4.38Å; T387-K396 WeakPolarHBondContact OG1-CB 3.3Å; T387-C397 HydrophobicContact CG2-CB 4.12Å; T387-Q449 PolarHBondContact O-NE2 3.36Å
388R94.8Very high94.9Very high114 Ų11444.2 Ų44.243%0.4323%0.226SC..  trans-83.7166.7163.5-64.4175.3-174.6-105.3-2.3109.4D390 E391 L451R388-D390 VanDerWaalsContact CB-O 3.31Å; R388-D390 WeakPolarHBondContact CB-O 3.32Å; R388-D390 PolarHBondContact O-N 2.94Å; R388-E391 HydrophobicContact CB-CG 4.01Å; R388-E391 PolarHBondContact N-OE1 3.08Å; R388-E391 VanDerWaalsContact N-OE1 3.09Å; R388-L451 PolarHBondContact NH2-O 3.33Å
389T94Very high94.9Very high32 Ų3244.5 Ų44.520%0.19623%0.227CC..SBendtrans-61.3-39.6171.752.50000110.7M385 R395 K396 C397 W401M385-T389 HydrophobicContact CE-CG2 4.39Å; T389-R395 CarbonylContact O-C 3.54Å; T389-K396 PolarHBondContact O-N 3.01Å; T389-C397 VanDerWaalsContact CA-O 3.32Å; T389-C397 WeakPolarHBondContact CA-O 3.46Å; T389-C397 WeakPolarHBondContact CB-O 3.23Å; T389-C397 PolarHBondContact O-N 3.3Å; T389-W401 HydrophobicContact CG2-CH2 4.5Å
390D92.4Very high95Very high74 Ų7441.3 Ų41.340%0.39621%0.211SC..EExtended strand (participates in β ladder)trans-130.8134.1-179.8-55.7-83.6000109.3R388 R395R388-D390 VanDerWaalsContact CB-O 3.31Å; R388-D390 WeakPolarHBondContact CB-O 3.32Å; R388-D390 PolarHBondContact O-N 2.94Å; D390-R395 IonicContact OD1-NE 3.42Å
391E89.3Confident95Very high14 Ų1441.3 Ų41.37%0.06521%0.21CC..EExtended strand (participates in β ladder)trans-130.5118.4176.8-69.5178.1-170.300108T387 R388 S393 R394 K396 R506T387-E391 WeakPolarHBondContact CA-OE1 3.47Å; T387-E391 WeakPolarHBondContact CB-OE1 3.38Å; T387-E391 PolarHBondContact OG1-OE1 3.04Å; R388-E391 HydrophobicContact CB-CG 4.01Å; R388-E391 PolarHBondContact N-OE1 3.08Å; R388-E391 VanDerWaalsContact N-OE1 3.09Å; E391-S393 PolarHBondContact O-N 2.93Å; E391-R394 PolarHBondContact N-O 2.84Å; E391-R394 VanDerWaalsContact N-O 3.1Å; E391-R394 PolarHBondContact O-N 3.45Å; E391-R394 VanDerWaalsContact O-N 3.08Å; E391-K396 HydrophobicContact CB-CG 3.95Å; E391-K396 HydrophobicContact CG-CG 3.95Å; E391-R506 IonicContact OE1-CZ 3.02Å; E391-R506 IonicContact OE1-NH1 3.3Å; E391-R506 PolarHBondContact OE1-NH1 3.34Å; E391-R506 IonicContact OE1-NH2 3.47Å; E391-R506 IonicContact OE2-CZ 3.29Å; E391-R506 IonicContact OE2-NH1 2.91Å; E391-R506 PolarHBondContact OE2-NH1 3.48Å; E391-R506 IonicContact OE2-NH2 2.98Å; E391-R506 PolarHBondContact OE2-NH2 3.04Å
392G85.7Confident95Very high62 Ų6240.6 Ų40.664%0.63921%0.207SC*.THydrogen-bonded Turntrans53-121.6-160.900000111.5D455G392-D455 PolarHBondContact N-OD2 2.79Å
393S85.4Confident94.9Very high124 Ų12445.4 Ų45.487%0.86723%0.232SC*.THydrogen-bonded Turntrans-100.29.6178580000114E391E391-S393 PolarHBondContact O-N 2.93Å
394R89.3Confident94.7Very high182 Ų18252.9 Ų52.969%0.68727%0.266SS*.EExtended strand (participates in β ladder)trans-113121.7-174.3-65.7-175.2-178.9-176.81.8111.3E391 K396E391-R394 PolarHBondContact N-O 2.84Å; E391-R394 VanDerWaalsContact N-O 3.1Å; E391-R394 PolarHBondContact O-N 3.45Å; E391-R394 VanDerWaalsContact O-N 3.08Å; R394-K396 PolarHBondContact O-N 2.84Å
395R93.7Very high94.6Very high144 Ų14459.2 Ų59.254%0.54330%0.296SS..EExtended strand (participates in β ladder)trans-66.4120.9169.9-174.4170.2-75-174.3-3.3110.7T389 D390T389-R395 CarbonylContact O-C 3.54Å; D390-R395 IonicContact OD1-NE 3.42Å
396K95.6Very high94.5Very high39 Ų3962.1 Ų62.117%0.1733%0.326CS..  trans-103.7-33.8179.2-56.7-60.1-174.4168.60112.4R318 T387 T389 E391 R394 S501R318-K396 VanDerWaalsContact CZ-O 3.28Å; R318-K396 PolarHBondContact NE-O 2.71Å; T387-K396 HydrophobicContact CG2-CB 4.38Å; T387-K396 WeakPolarHBondContact OG1-CB 3.3Å; T389-K396 PolarHBondContact O-N 3.01Å; E391-K396 HydrophobicContact CB-CG 3.95Å; E391-K396 HydrophobicContact CG-CG 3.95Å; R394-K396 PolarHBondContact O-N 2.84Å; K396-S501 WeakPolarHBondContact CA-OG 3.19Å; K396-S501 WeakPolarHBondContact O-CA 3.24Å; K396-S501 PolarHBondContact O-OG 3.36Å
397C97.8Very high94.5Very high1 Ų163.2 Ų63.21%0.00734%0.337CS..SBendtrans-147.8146.3-177.7-171.40000109.8M385 T387 T389 H499M385-C397 HydrophobicContact CE-CB 3.68Å; T387-C397 HydrophobicContact CG2-CB 4.12Å; T389-C397 VanDerWaalsContact CA-O 3.32Å; T389-C397 WeakPolarHBondContact CA-O 3.46Å; T389-C397 WeakPolarHBondContact CB-O 3.23Å; T389-C397 PolarHBondContact O-N 3.3Å; C397-H499 VanDerWaalsContact SG-CE1 3.59Å
398G96.9Very high94.6Very high3 Ų369 Ų693%0.03136%0.364CS..  trans-76.1160.3167.300000112.2P363 Y368 Y400P363-G398 WeakPolarHBondContact O-CA 3.41Å; P363-G398 PolarHBondContact O-N 2.85Å; Y368-G398 VanDerWaalsContact OH-C 3.27Å; Y368-G398 WeakPolarHBondContact OH-CA 3.25Å; G398-Y400 WeakPolarHBondContact O-CD1 3.39Å; G398-Y400 PolarHBondContact O-N 3.13Å
399Q97.6Very high94.7Very high53 Ų5367.2 Ų67.225%0.24836%0.36CS..  trans-84.281.8174.5-171.957.848.400109Y368 W401 L403Y368-Q399 PolarHBondContact OH-N 3.41Å; Q399-W401 VanDerWaalsContact C-N 3.33Å; Q399-W401 PolarHBondContact NE2-O 3.45Å; Q399-L403 HydrophobicContact CG-CD1 4.26Å; Q399-L403 HydrophobicContact CG-CG 4.19Å; Q399-L403 VanDerWaalsContact NE2-CG 3.34Å
400Y98.3Very high94.9Very high0 Ų069.9 Ų69.90%038%0.377CS..  trans-909.5-17367.4-93000113.8P363 Y368 F371 W372 I383 M385 G398 Y411 H447 H499P363-Y400 HydrophobicContact CB-CD1 4.03Å; P363-Y400 HydrophobicContact CB-CG 4.2Å; P363-Y400 HydrophobicContact CG-CD1 3.63Å; P363-Y400 HydrophobicContact CG-CE1 3.98Å; P363-Y400 HydrophobicContact CG-CG 3.94Å; Y368-Y400 VanDerWaalsContact CD1-CB 3.4Å; F371-Y400 AromaticContact CD1-CD2 3.78Å; F371-Y400 HydrophobicContact CD1-CD2 3.78Å; F371-Y400 AromaticContact CD1-CE2 3.96Å; F371-Y400 HydrophobicContact CD1-CE2 3.96Å; F371-Y400 HydrophobicContact CD1-CG 4.48Å; F371-Y400 AromaticContact CE1-CD2 3.56Å; F371-Y400 HydrophobicContact CE1-CD2 3.56Å; F371-Y400 AromaticContact CE1-CE2 3.24Å; F371-Y400 HydrophobicContact CE1-CE2 3.24Å; F371-Y400 HydrophobicContact CE1-CG 4.49Å; F371-Y400 AromaticContact CE1-CZ 3.91Å; F371-Y400 HydrophobicContact CZ-CD2 4.34Å; F371-Y400 AromaticContact CZ-CE2 3.72Å; F371-Y400 HydrophobicContact CZ-CE2 3.72Å; F371-Y400 AromaticContact CZ-CZ 3.91Å; W372-Y400 AromaticContact CE2-CD2 3.89Å; W372-Y400 HydrophobicContact CH2-CE2 4.4Å; W372-Y400 AromaticContact CZ2-CD2 3.65Å; W372-Y400 HydrophobicContact CZ2-CD2 3.65Å; W372-Y400 AromaticContact CZ2-CE2 3.9Å; W372-Y400 HydrophobicContact CZ2-CE2 3.9Å; W372-Y400 WeakPolarHBondContact CZ2-O 3.16Å; W372-Y400 AromaticContact NE1-CD2 3.87Å; W372-Y400 PolarHBondContact NE1-O 2.77Å; I383-Y400 WeakPolarHBondContact CG2-OH 3.49Å; M385-Y400 HydrophobicContact SD-CE1 4.42Å; G398-Y400 WeakPolarHBondContact O-CD1 3.39Å; G398-Y400 PolarHBondContact O-N 3.13Å; Y400-Y411 VanDerWaalsContact O-CE2 3.27Å; Y400-Y411 WeakPolarHBondContact O-CE2 3.49Å; Y400-Y411 PolarHBondContact O-OH 3.34Å; Y400-Y411 VanDerWaalsContact O-OH 3.13Å; Y400-H447 AromaticContact CZ-NE2 3.6Å; Y400-H447 PolarHBondContact OH-CD2 2.85Å; Y400-H447 PolarHBondContact OH-NE2 3.17Å; Y400-H499 AromaticContact CE1-CE1 3.76Å; Y400-H499 AromaticContact CE1-NE2 3.51Å; Y400-H499 AromaticContact CZ-NE2 3.52Å; Y400-H499 PolarHBondContact OH-NE2 3.42Å
401W98.5Very high95.1Very high4 Ų467.2 Ų67.22%0.01536%0.361CS..SBendtrans-143.5152.1178.674.297.9000110.4W372 M385 T389 Q399 L403 Y411 L432 H447W372-W401 HydrophobicContact CZ2-CB 4.04Å; M385-W401 HydrophobicContact CE-CH2 3.83Å; M385-W401 HydrophobicContact CE-CZ3 4.09Å; M385-W401 HydrophobicContact SD-CH2 3.42Å; M385-W401 WeakPolarHBondContact SD-CH2 3.32Å; M385-W401 HydrophobicContact SD-CZ2 4.38Å; M385-W401 HydrophobicContact SD-CZ3 3.64Å; T389-W401 HydrophobicContact CG2-CH2 4.5Å; Q399-W401 VanDerWaalsContact C-N 3.33Å; Q399-W401 PolarHBondContact NE2-O 3.45Å; W401-L403 HydrophobicContact CZ2-CD2 4.04Å; W401-L403 PolarHBondContact O-N 3.22Å; W401-Y411 WeakPolarHBondContact CA-OH 3.48Å; W401-Y411 PolarHBondContact N-OH 3.16Å; W401-L432 HydrophobicContact CB-CD1 4.35Å; W401-H447 AromaticContact CD2-NE2 3.99Å; W401-H447 AromaticContact CE2-CE1 3.85Å; W401-H447 AromaticContact CE3-NE2 3.93Å; W401-H447 AromaticContact CZ2-CE1 3.85Å
402P97.9Very high95.2Very high4 Ų469 Ų693%0.02638%0.384CS..  trans-65.9126.3174.521.6-28.5000111.3G407 E409 V416 N418P402-G407 WeakPolarHBondContact CB-O 3.26Å; P402-G407 WeakPolarHBondContact CG-O 3.46Å; P402-E409 HydrophobicContact CB-CG 4.39Å; P402-V416 HydrophobicContact CG-CG1 4.3Å; P402-V416 WeakPolarHBondContact CG-O 3.29Å; P402-N418 HydrophobicContact CB-CB 4.22Å; P402-N418 HydrophobicContact CG-CB 3.93Å; P402-N418 WeakPolarHBondContact O-CB 3.33Å; P402-N418 PolarHBondContact O-ND2 2.79Å
403L96.1Very high95.6Very high101 Ų10169.4 Ų69.453%0.52937%0.369SS..  trans-74.6-38.7-174.9-75.7172.9000113.7Q399 W401 N418Q399-L403 HydrophobicContact CG-CD1 4.26Å; Q399-L403 HydrophobicContact CG-CG 4.19Å; Q399-L403 VanDerWaalsContact NE2-CG 3.34Å; W401-L403 HydrophobicContact CZ2-CD2 4.04Å; W401-L403 PolarHBondContact O-N 3.22Å; L403-N418 PolarHBondContact O-ND2 3.01Å; L403-N418 VanDerWaalsContact O-ND2 3.1Å
404E95.7Very high96.2Very high156 Ų15663.7 Ų63.773%0.72933%0.329SS*.SBendtrans-92.4145.3-171.8-61.7-175.6175.100111.2G406 G407 N418E404-G406 PolarHBondContact O-N 3.37Å; E404-G407 WeakPolarHBondContact O-CA 3.36Å; E404-G407 PolarHBondContact O-N 2.82Å; E404-N418 VanDerWaalsContact O-CB 3.31Å; E404-N418 WeakPolarHBondContact O-CB 3.3Å; E404-N418 PolarHBondContact O-ND2 2.91Å
405E96.9Very high96.6Very high134 Ų13455.3 Ų55.363%0.62630%0.298SS*.THydrogen-bonded Turntrans-59.6132.8172.1-174.3170.2143.800110.4G407 Q419E405-G407 PolarHBondContact O-N 2.79Å; E405-Q419 WeakPolarHBondContact CG-O 3.48Å
406G95.4Very high96.8Very high61 Ų6148.5 Ų48.563%0.62927%0.272SS*.THydrogen-bonded Turntrans80.4-9.2-170.500000114.4E404 N418E404-G406 PolarHBondContact O-N 3.37Å; G406-N418 PolarHBondContact N-O 3.45Å
407G97.3Very high97Very high22 Ų2247.4 Ų47.423%0.22727%0.269CS..  trans-65.3142.4175.500000112P402 E404 E405 V417 N418P402-G407 WeakPolarHBondContact CB-O 3.26Å; P402-G407 WeakPolarHBondContact CG-O 3.46Å; E404-G407 WeakPolarHBondContact O-CA 3.36Å; E404-G407 PolarHBondContact O-N 2.82Å; E405-G407 PolarHBondContact O-N 2.79Å; G407-V417 WeakPolarHBondContact O-CA 3.46Å; G407-N418 PolarHBondContact O-N 2.91Å
408Q97.1Very high97Very high126 Ų12647.3 Ų47.359%0.58927%0.269SS*.EExtended strand (participates in β ladder)trans-136.7134.9-179.3177.3178.4-9.500110.9V416 V417Q408-V416 WeakPolarHBondContact CA-O 3.26Å; Q408-V417 HydrophobicContact CB-CG2 4.22Å; Q408-V417 HydrophobicContact CG-CG2 3.88Å
409E97.8Very high97.1Very high75 Ų7551 Ų5135%0.3529%0.285SS..EExtended strand (participates in β ladder)trans-135.6152.4173.1-70.2-178.6-137.500110.6P402 Y411 A415 V416P402-E409 HydrophobicContact CB-CG 4.39Å; E409-Y411 HydrophobicContact CB-CE1 4.21Å; E409-Y411 HydrophobicContact CB-CE2 3.82Å; E409-Y411 WeakPolarHBondContact CB-OH 3.45Å; E409-Y411 VanDerWaalsContact OE2-CZ 3.31Å; E409-Y411 PolarHBondContact OE2-OH 2.85Å; E409-A415 WeakPolarHBondContact O-CA 3.1Å; E409-V416 PolarHBondContact N-O 3.29Å; E409-V416 PolarHBondContact O-N 2.85Å
410V97.6Very high97.1Very high89 Ų8954.7 Ų54.754%0.53930%0.297SS..EExtended strand (participates in β ladder)trans-115.8121.2-179.2-176.90000109.9G412 A415V410-G412 WeakPolarHBondContact CG1-O 3.42Å; V410-A415 HydrophobicContact CG2-CB 4.04Å
411Y96.3Very high97.1Very high17 Ų1756.1 Ų56.17%0.06731%0.305CS..EExtended strand (participates in β ladder)trans-116.995.2179.4-50-75.6000109.9Y368 W372 Y400 W401 E409 H413 I414 V416Y368-Y411 HydrophobicContact CD2-CD1 4.14Å; Y368-Y411 AromaticContact CD2-CE1 3.93Å; Y368-Y411 HydrophobicContact CD2-CE1 3.93Å; Y368-Y411 HydrophobicContact CG-CD1 4.28Å; Y368-Y411 HydrophobicContact CG-CE1 4.34Å; W372-Y411 AromaticContact CD1-CD2 3.13Å; W372-Y411 AromaticContact CD1-CE2 3.77Å; W372-Y411 AromaticContact CD1-CG 3.44Å; W372-Y411 VanDerWaalsContact CD1-CG 3.44Å; W372-Y411 AromaticContact CG-CD2 3.99Å; W372-Y411 HydrophobicContact CG-CD2 3.99Å; W372-Y411 HydrophobicContact CG-CG 4.42Å; W372-Y411 AromaticContact NE1-CD2 3.23Å; W372-Y411 AromaticContact NE1-CE2 3.33Å; W372-Y411 VanDerWaalsContact NE1-CE2 3.33Å; W372-Y411 AromaticContact NE1-CG 3.88Å; Y400-Y411 VanDerWaalsContact O-CE2 3.27Å; Y400-Y411 WeakPolarHBondContact O-CE2 3.49Å; Y400-Y411 PolarHBondContact O-OH 3.34Å; Y400-Y411 VanDerWaalsContact O-OH 3.13Å; W401-Y411 WeakPolarHBondContact CA-OH 3.48Å; W401-Y411 PolarHBondContact N-OH 3.16Å; E409-Y411 HydrophobicContact CB-CE1 4.21Å; E409-Y411 HydrophobicContact CB-CE2 3.82Å; E409-Y411 WeakPolarHBondContact CB-OH 3.45Å; E409-Y411 VanDerWaalsContact OE2-CZ 3.31Å; E409-Y411 PolarHBondContact OE2-OH 2.85Å; Y411-H413 PolarHBondContact O-N 3.34Å; Y411-H413 VanDerWaalsContact O-N 3.13Å; Y411-I414 PolarHBondContact N-O 3.02Å; Y411-I414 PolarHBondContact O-N 3.4Å; Y411-V416 HydrophobicContact CD2-CB 4.26Å; Y411-V416 HydrophobicContact CD2-CG2 3.54Å; Y411-V416 HydrophobicContact CE2-CB 3.97Å; Y411-V416 HydrophobicContact CE2-CG2 3.68Å
412G92.6Very high97.1Very high53 Ų5357.8 Ų57.855%0.54631%0.314SS..THydrogen-bonded Turntrans64.7-111-170.100000110.7V410V410-G412 WeakPolarHBondContact CG1-O 3.42Å
413H93.4Very high97Very high70 Ų7064.2 Ų64.232%0.32434%0.344SS..THydrogen-bonded Turntrans-106.87.4-178.9-59.8-86.6000113.6R335 Y411 N436 T437 E438R335-H413 PolarHBondContact NH1-CD2 2.9Å; R335-H413 PolarHBondContact NH2-CD2 3.12Å; Y411-H413 PolarHBondContact O-N 3.34Å; Y411-H413 VanDerWaalsContact O-N 3.13Å; H413-N436 WeakPolarHBondContact O-CA 3.37Å; H413-T437 WeakPolarHBondContact CA-OG1 3.35Å; H413-T437 PolarHBondContact O-N 3.45Å; H413-T437 PolarHBondContact O-OG1 3.45Å; H413-T437 VanDerWaalsContact O-OG1 3.12Å; H413-E438 HydrophobicContact CB-CG 3.87Å; H413-E438 IonicContact CD2-OE1 2.8Å; H413-E438 IonicContact CE1-OE1 3.74Å; H413-E438 IonicContact CG-OE1 3.82Å; H413-E438 IonicContact CG-OE2 2.85Å; H413-E438 WeakPolarHBondContact ND1-CG 3.35Å; H413-E438 IonicContact ND1-OE1 2.65Å; H413-E438 IonicContact NE2-OE1 3.52Å
414I97.8Very high97Very high4 Ų463.5 Ų63.52%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-109.8111.6177.8-53.9-58.2000107.5W372 W376 Y411 V416 L434 H435 N436W372-I414 HydrophobicContact CB-CB 4.09Å; W372-I414 HydrophobicContact CB-CG1 4.32Å; W372-I414 HydrophobicContact CB-CG2 4.22Å; W376-I414 HydrophobicContact CB-CD1 3.96Å; W376-I414 HydrophobicContact CB-CG1 4.44Å; W376-I414 HydrophobicContact CD2-CD1 3.82Å; W376-I414 HydrophobicContact CE3-CD1 3.96Å; W376-I414 HydrophobicContact CG-CD1 3.8Å; Y411-I414 PolarHBondContact N-O 3.02Å; Y411-I414 PolarHBondContact O-N 3.4Å; I414-V416 HydrophobicContact CG2-CG2 4.12Å; I414-L434 HydrophobicContact CG2-CB 4.16Å; I414-L434 HydrophobicContact CG2-CD2 4.1Å; I414-H435 WeakPolarHBondContact CA-O 3.48Å; I414-N436 HydrophobicContact CD1-CB 3.94Å
415A98.1Very high96.9Very high6 Ų662 Ų625%0.0534%0.339CS..EExtended strand (participates in β ladder)trans-82.8128.6164.900000108.6E409 V410 L434 H435E409-A415 WeakPolarHBondContact O-CA 3.1Å; V410-A415 HydrophobicContact CG2-CB 4.04Å; A415-L434 WeakPolarHBondContact O-CA 3.39Å; A415-H435 HydrophobicContact CB-CB 4.25Å; A415-H435 PolarHBondContact N-O 3.13Å; A415-H435 PolarHBondContact O-N 2.89Å
416V98.6Very high96.8Very high0 Ų058.9 Ų58.90%032%0.324CS..EExtended strand (participates in β ladder)trans-111.6121.9-180-175.70000107.2W372 P402 Q408 E409 Y411 I414 L432 E433 L434W372-V416 HydrophobicContact CD2-CG2 3.66Å; W372-V416 HydrophobicContact CE3-CG2 4.05Å; W372-V416 HydrophobicContact CG-CG2 4.06Å; W372-V416 HydrophobicContact CH2-CG1 4.05Å; W372-V416 HydrophobicContact CH2-CG2 4.36Å; W372-V416 HydrophobicContact CZ2-CG1 3.91Å; W372-V416 HydrophobicContact CZ2-CG2 3.95Å; W372-V416 HydrophobicContact CZ3-CG2 4.4Å; P402-V416 HydrophobicContact CG-CG1 4.3Å; P402-V416 WeakPolarHBondContact CG-O 3.29Å; Q408-V416 WeakPolarHBondContact CA-O 3.26Å; E409-V416 PolarHBondContact N-O 3.29Å; E409-V416 PolarHBondContact O-N 2.85Å; Y411-V416 HydrophobicContact CD2-CB 4.26Å; Y411-V416 HydrophobicContact CD2-CG2 3.54Å; Y411-V416 HydrophobicContact CE2-CB 3.97Å; Y411-V416 HydrophobicContact CE2-CG2 3.68Å; I414-V416 HydrophobicContact CG2-CG2 4.12Å; V416-L432 HydrophobicContact CG1-CB 4.36Å; V416-L432 HydrophobicContact CG1-CD1 4.19Å; V416-L432 HydrophobicContact CG1-CD2 4.16Å; V416-L432 HydrophobicContact CG1-CG 4.48Å; V416-E433 WeakPolarHBondContact CA-O 3.24Å; V416-L434 HydrophobicContact CB-CD2 4.24Å; V416-L434 HydrophobicContact CG1-CD2 4Å; V416-L434 HydrophobicContact CG2-CD2 3.74Å
417V98.6Very high96.9Very high16 Ų1657.6 Ų57.610%0.09730%0.301CS..EExtended strand (participates in β ladder)trans-114129.1177.9-175.40000108.2G407 Q408 Q419 L432 E433G407-V417 WeakPolarHBondContact O-CA 3.46Å; Q408-V417 HydrophobicContact CB-CG2 4.22Å; Q408-V417 HydrophobicContact CG-CG2 3.88Å; V417-Q419 PolarHBondContact O-N 2.96Å; V417-L432 CarbonylContact O-C 3.6Å; V417-L432 VanDerWaalsContact O-CA 3.32Å; V417-L432 WeakPolarHBondContact O-CA 3.38Å; V417-E433 HydrophobicContact CB-CB 4.42Å; V417-E433 PolarHBondContact N-O 2.88Å; V417-E433 PolarHBondContact O-N 3.38Å
418N98.7Very high96.9Very high0 Ų057.8 Ų57.80%030%0.297CS..EExtended strand (participates in β ladder)trans-84110.9170.9-179.7-18.2000109.2P402 L403 E404 G406 G407 R420 V421 T430 L432P402-N418 HydrophobicContact CB-CB 4.22Å; P402-N418 HydrophobicContact CG-CB 3.93Å; P402-N418 WeakPolarHBondContact O-CB 3.33Å; P402-N418 PolarHBondContact O-ND2 2.79Å; L403-N418 PolarHBondContact O-ND2 3.01Å; L403-N418 VanDerWaalsContact O-ND2 3.1Å; E404-N418 VanDerWaalsContact O-CB 3.31Å; E404-N418 WeakPolarHBondContact O-CB 3.3Å; E404-N418 PolarHBondContact O-ND2 2.91Å; G406-N418 PolarHBondContact N-O 3.45Å; G407-N418 PolarHBondContact O-N 2.91Å; N418-R420 PolarHBondContact OD1-N 3.35Å; N418-R420 VanDerWaalsContact OD1-N 3.07Å; N418-R420 PolarHBondContact OD1-O 3.49Å; N418-V421 VanDerWaalsContact ND2-CG2 3.31Å; N418-V421 WeakPolarHBondContact ND2-CG2 3.27Å; N418-T430 HydrophobicContact CB-CG2 4.48Å; N418-T430 WeakPolarHBondContact ND2-CG2 3.4Å; N418-T430 WeakPolarHBondContact OD1-CG2 3.42Å; N418-L432 HydrophobicContact CB-CD2 4.02Å
419Q98.5Very high97Very high80 Ų8052.9 Ų52.937%0.37427%0.274SS..EExtended strand (participates in β ladder)trans-87.3-26.9-178-69.1-65.9-14.800112.6E405 V417 T431 E433E405-Q419 WeakPolarHBondContact CG-O 3.48Å; V417-Q419 PolarHBondContact O-N 2.96Å; Q419-T431 HydrophobicContact CB-CG2 4.37Å; Q419-T431 WeakPolarHBondContact CB-O 3.35Å; Q419-T431 PolarHBondContact N-O 3.4Å; Q419-E433 HydrophobicContact CG-CB 3.9Å; Q419-E433 PolarHBondContact NE2-OE2 2.91Å
420R98.1Very high97.1Very high131 Ų13149.6 Ų49.649%0.49426%0.259SS..EExtended strand (participates in β ladder)trans-170.5142.8-175.2179.9173.1169.5168.4-0.2111.5N418 D422 T430 T431N418-R420 PolarHBondContact OD1-N 3.35Å; N418-R420 VanDerWaalsContact OD1-N 3.07Å; N418-R420 PolarHBondContact OD1-O 3.49Å; R420-D422 IonicContact CZ-OD1 3.1Å; R420-D422 IonicContact CZ-OD2 2.68Å; R420-D422 VanDerWaalsContact NE-CG 3.28Å; R420-D422 IonicContact NE-OD1 2.8Å; R420-D422 PolarHBondContact NE-OD1 3.49Å; R420-D422 IonicContact NE-OD2 3.91Å; R420-D422 PolarHBondContact NE-OD2 2.96Å; R420-D422 IonicContact NH2-OD1 3.58Å; R420-D422 PolarHBondContact NH2-OD1 3.41Å; R420-D422 IonicContact NH2-OD2 3.99Å; R420-T430 CarbonylContact O-C 3.57Å; R420-T430 VanDerWaalsContact O-CA 3.31Å; R420-T430 WeakPolarHBondContact O-CA 3.49Å; R420-T431 PolarHBondContact O-N 3.09Å
421V98.2Very high97.1Very high29 Ų2947 Ų4718%0.17624%0.243CC..EExtended strand (participates in β ladder)trans-119.5118.2168.8-171.80000111N418 H423 T430N418-V421 VanDerWaalsContact ND2-CG2 3.31Å; N418-V421 WeakPolarHBondContact ND2-CG2 3.27Å; V421-H423 VanDerWaalsContact CG1-CE1 3.48Å; V421-H423 WeakPolarHBondContact CG1-CE1 3.46Å; V421-T430 HydrophobicContact CG2-CG2 4.1Å
422D97.9Very high97.2Very high39 Ų3946.1 Ų46.121%0.20924%0.24CC..EExtended strand (participates in β ladder)trans-99.5114.5171.8-69.5-57.5000110.4R420 N428 H429R420-D422 IonicContact CZ-OD1 3.1Å; R420-D422 IonicContact CZ-OD2 2.68Å; R420-D422 VanDerWaalsContact NE-CG 3.28Å; R420-D422 IonicContact NE-OD1 2.8Å; R420-D422 PolarHBondContact NE-OD1 3.49Å; R420-D422 IonicContact NE-OD2 3.91Å; R420-D422 PolarHBondContact NE-OD2 2.96Å; R420-D422 IonicContact NH2-OD1 3.58Å; R420-D422 PolarHBondContact NH2-OD1 3.41Å; R420-D422 IonicContact NH2-OD2 3.99Å; D422-N428 WeakPolarHBondContact O-CA 3.46Å; D422-H429 HydrophobicContact CB-CB 4.29Å; D422-H429 PolarHBondContact N-O 2.87Å; D422-H429 PolarHBondContact O-N 3.48Å
423H97.1Very high97.5Very high140 Ų14044.8 Ų44.865%0.64822%0.219SC*.EExtended strand (participates in β ladder)trans-89.8116.5178.4-65.5-66.4000111.3V421 N428V421-H423 VanDerWaalsContact CG1-CE1 3.48Å; V421-H423 WeakPolarHBondContact CG1-CE1 3.46Å; H423-N428 PolarHBondContact ND1-OD1 3.46Å
424H95.9Very high97.8Very high85 Ų8541.6 Ų41.639%0.39421%0.205SC..  trans-109.6161.9169.5-55.7-89.7000110.4H426 Y427H424-H426 PolarHBondContact O-N 3.01Å; H424-H426 VanDerWaalsContact O-N 3.09Å; H424-Y427 CarbonylContact C-O 3.59Å; H424-Y427 WeakPolarHBondContact CA-O 3.29Å; H424-Y427 HydrophobicContact CB-CD1 3.99Å; H424-Y427 HydrophobicContact CB-CD2 4.34Å; H424-Y427 HydrophobicContact CB-CE1 3.8Å; H424-Y427 HydrophobicContact CB-CE2 4.18Å; H424-Y427 HydrophobicContact CB-CG 4.25Å; H424-Y427 VanDerWaalsContact CB-O 3.24Å; H424-Y427 WeakPolarHBondContact CB-O 3Å; H424-Y427 AromaticContact CD2-CD2 3.75Å; H424-Y427 AromaticContact CD2-CE2 3.16Å; H424-Y427 WeakPolarHBondContact CD2-CE2 3.36Å; H424-Y427 AromaticContact CD2-CZ 3.46Å; H424-Y427 VanDerWaalsContact CD2-CZ 3.46Å; H424-Y427 AromaticContact CG-CE1 3.98Å; H424-Y427 AromaticContact CG-CE2 3.73Å; H424-Y427 AromaticContact CG-CZ 3.55Å; H424-Y427 PolarHBondContact N-O 2.7Å; H424-Y427 AromaticContact NE2-CE2 3.72Å; H424-Y427 AromaticContact NE2-CZ 3.93Å; H424-Y427 PolarHBondContact O-N 3.17Å
425T93.9Very high97.7Very high125 Ų12543.7 Ų43.777%0.76721%0.214SC*.SBendtrans-52.9-37.3-177.1-460000113.6
426H94.7Very high97.6Very high68 Ų6843.7 Ų43.732%0.31521%0.214SC..SBendtrans-117.2-4.8-172.4-58.1-58.2000114.2H424 Y450 L451 S452H424-H426 PolarHBondContact O-N 3.01Å; H424-H426 VanDerWaalsContact O-N 3.09Å; H426-Y450 HydrophobicContact CB-CE2 4.19Å; H426-Y450 VanDerWaalsContact O-CD2 3.32Å; H426-Y450 WeakPolarHBondContact O-CD2 3.47Å; H426-L451 PolarHBondContact O-N 3.45Å; H426-S452 WeakPolarHBondContact CA-OG 3.47Å; H426-S452 PolarHBondContact ND1-OG 3.2Å
427Y97.3Very high97.3Very high34 Ų3447.5 Ų47.513%0.13324%0.237CC..EExtended strand (participates in β ladder)trans-159.6157.1-179.465.8-85.8000111.9H424 H429 F448 Q449 F468H424-Y427 CarbonylContact C-O 3.59Å; H424-Y427 WeakPolarHBondContact CA-O 3.29Å; H424-Y427 HydrophobicContact CB-CD1 3.99Å; H424-Y427 HydrophobicContact CB-CD2 4.34Å; H424-Y427 HydrophobicContact CB-CE1 3.8Å; H424-Y427 HydrophobicContact CB-CE2 4.18Å; H424-Y427 HydrophobicContact CB-CG 4.25Å; H424-Y427 VanDerWaalsContact CB-O 3.24Å; H424-Y427 WeakPolarHBondContact CB-O 3Å; H424-Y427 AromaticContact CD2-CD2 3.75Å; H424-Y427 AromaticContact CD2-CE2 3.16Å; H424-Y427 WeakPolarHBondContact CD2-CE2 3.36Å; H424-Y427 AromaticContact CD2-CZ 3.46Å; H424-Y427 VanDerWaalsContact CD2-CZ 3.46Å; H424-Y427 AromaticContact CG-CE1 3.98Å; H424-Y427 AromaticContact CG-CE2 3.73Å; H424-Y427 AromaticContact CG-CZ 3.55Å; H424-Y427 PolarHBondContact N-O 2.7Å; H424-Y427 AromaticContact NE2-CE2 3.72Å; H424-Y427 AromaticContact NE2-CZ 3.93Å; H424-Y427 PolarHBondContact O-N 3.17Å; Y427-H429 HydrophobicContact CE2-CB 4.29Å; Y427-F448 AromaticContact CD2-CD1 3.79Å; Y427-F448 HydrophobicContact CD2-CD1 3.79Å; Y427-F448 HydrophobicContact CD2-CE1 4.18Å; Y427-F448 AromaticContact CE2-CD1 3.83Å; Y427-F448 HydrophobicContact CE2-CD1 3.83Å; Y427-F448 AromaticContact CE2-CE1 3.72Å; Y427-F448 HydrophobicContact CE2-CE1 3.72Å; Y427-Q449 CarbonylContact C-O 3.57Å; Y427-Q449 WeakPolarHBondContact CA-O 3.3Å; Y427-Q449 WeakPolarHBondContact CB-O 3.46Å; Y427-F468 AromaticContact CD1-CD2 3.68Å; Y427-F468 HydrophobicContact CD1-CD2 3.68Å; Y427-F468 HydrophobicContact CD1-CE2 4.44Å; Y427-F468 HydrophobicContact CD2-CD2 4.05Å; Y427-F468 HydrophobicContact CD2-CE2 4.07Å; Y427-F468 HydrophobicContact CE1-CD2 4.35Å; Y427-F468 AromaticContact CG-CD2 3.5Å; Y427-F468 HydrophobicContact CG-CD2 3.5Å; Y427-F468 AromaticContact CG-CE2 3.81Å; Y427-F468 HydrophobicContact CG-CE2 3.81Å
428N97.8Very high96.9Very high27 Ų2751.9 Ų51.914%0.14426%0.256CS..EExtended strand (participates in β ladder)trans-101.6142.5165.2-64.7-29000109.3D422 H423 F448 Q449D422-N428 WeakPolarHBondContact O-CA 3.46Å; H423-N428 PolarHBondContact ND1-OD1 3.46Å; N428-F448 WeakPolarHBondContact O-CA 3.17Å; N428-Q449 HydrophobicContact CB-CB 4.47Å; N428-Q449 PolarHBondContact N-O 3.03Å; N428-Q449 PolarHBondContact O-N 3.06Å
429H98.6Very high96.5Very high22 Ų2255.3 Ų55.310%0.10228%0.277CS..EExtended strand (participates in β ladder)trans-116.5112.2167.8173.2-155.2000108.6D422 Y427 S446 H447 F448D422-H429 HydrophobicContact CB-CB 4.29Å; D422-H429 PolarHBondContact N-O 2.87Å; D422-H429 PolarHBondContact O-N 3.48Å; Y427-H429 HydrophobicContact CE2-CB 4.29Å; H429-S446 WeakPolarHBondContact NE2-CB 3.35Å; H429-S446 PolarHBondContact NE2-OG 3.42Å; H429-H447 CarbonylContact C-O 3.49Å; H429-H447 WeakPolarHBondContact CA-O 3.34Å; H429-F448 HydrophobicContact CB-CD1 4.15Å; H429-F448 HydrophobicContact CB-CE1 3.85Å; H429-F448 HydrophobicContact CB-CZ 4.15Å; H429-F448 AromaticContact CD2-CE2 3.6Å; H429-F448 AromaticContact CD2-CZ 3.68Å; H429-F448 AromaticContact CE1-CZ 3.99Å; H429-F448 AromaticContact CG-CE1 3.81Å; H429-F448 AromaticContact CG-CE2 3.98Å; H429-F448 AromaticContact CG-CZ 3.57Å; H429-F448 AromaticContact ND1-CZ 3.74Å; H429-F448 AromaticContact NE2-CE2 3.84Å; H429-F448 AromaticContact NE2-CZ 3.96Å
430T98.8Very high96.2Very high6 Ų657 Ų574%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-103.1131.9176.6-51.50000109.6N418 R420 V421 L432 H447N418-T430 HydrophobicContact CB-CG2 4.48Å; N418-T430 WeakPolarHBondContact ND2-CG2 3.4Å; N418-T430 WeakPolarHBondContact OD1-CG2 3.42Å; R420-T430 CarbonylContact O-C 3.57Å; R420-T430 VanDerWaalsContact O-CA 3.31Å; R420-T430 WeakPolarHBondContact O-CA 3.49Å; V421-T430 HydrophobicContact CG2-CG2 4.1Å; T430-L432 HydrophobicContact CG2-CD2 3.58Å; T430-L432 HydrophobicContact CG2-CG 4.09Å; T430-H447 PolarHBondContact N-O 3.19Å; T430-H447 PolarHBondContact O-N 3.33Å
431T98.7Very high96Very high34 Ų3455.2 Ų55.221%0.20929%0.294CS..EExtended strand (participates in β ladder)trans-94.4118.8170.7-60.10000108.7Q419 R420Q419-T431 HydrophobicContact CB-CG2 4.37Å; Q419-T431 WeakPolarHBondContact CB-O 3.35Å; Q419-T431 PolarHBondContact N-O 3.4Å; R420-T431 PolarHBondContact O-N 3.09Å
432L98.8Very high95.9Very high0 Ų059.5 Ų59.50%031%0.312CS..EExtended strand (participates in β ladder)trans-111141-178.9-59176.2000110.3W372 W401 V416 V417 N418 T430 H444 V445 H447W372-L432 HydrophobicContact CH2-CD1 3.57Å; W372-L432 HydrophobicContact CZ2-CD1 4.27Å; W372-L432 HydrophobicContact CZ3-CD1 4.5Å; W401-L432 HydrophobicContact CB-CD1 4.35Å; V416-L432 HydrophobicContact CG1-CB 4.36Å; V416-L432 HydrophobicContact CG1-CD1 4.19Å; V416-L432 HydrophobicContact CG1-CD2 4.16Å; V416-L432 HydrophobicContact CG1-CG 4.48Å; V417-L432 CarbonylContact O-C 3.6Å; V417-L432 VanDerWaalsContact O-CA 3.32Å; V417-L432 WeakPolarHBondContact O-CA 3.38Å; N418-L432 HydrophobicContact CB-CD2 4.02Å; T430-L432 HydrophobicContact CG2-CD2 3.58Å; T430-L432 HydrophobicContact CG2-CG 4.09Å; L432-H444 WeakPolarHBondContact O-CA 3.46Å; L432-V445 HydrophobicContact CB-CB 4.49Å; L432-V445 PolarHBondContact N-O 3.04Å; L432-V445 PolarHBondContact O-N 3.38Å; L432-H447 HydrophobicContact CD1-CB 3.89Å; L432-H447 HydrophobicContact CG-CB 4.41Å
433E98.5Very high95.8Very high25 Ų2561 Ų6112%0.11732%0.315CS..EExtended strand (participates in β ladder)trans-108.1129.5167.3-170.3-177.8169.500109.3V416 V417 Q419 H435 Q442V416-E433 WeakPolarHBondContact CA-O 3.24Å; V417-E433 HydrophobicContact CB-CB 4.42Å; V417-E433 PolarHBondContact N-O 2.88Å; V417-E433 PolarHBondContact O-N 3.38Å; Q419-E433 HydrophobicContact CG-CB 3.9Å; Q419-E433 PolarHBondContact NE2-OE2 2.91Å; E433-H435 VanDerWaalsContact CD-NE2 3.27Å; E433-H435 WeakPolarHBondContact CG-NE2 3.39Å; E433-H435 IonicContact OE1-CE1 3.55Å; E433-H435 PolarHBondContact OE1-CE1 2.9Å; E433-H435 IonicContact OE1-ND1 3.29Å; E433-H435 IonicContact OE1-NE2 2.68Å; E433-H435 PolarHBondContact OE1-NE2 3.26Å; E433-H435 IonicContact OE2-CE1 2.95Å; E433-H435 IonicContact OE2-NE2 3.55Å; E433-Q442 VanDerWaalsContact OE1-CD 3.25Å; E433-Q442 PolarHBondContact OE1-NE2 3.24Å
434L98.5Very high95.8Very high2 Ų259.2 Ų59.21%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-104.9127.2176.9-54.7-171.6000108.8W372 V375 W376 I414 A415 V416 Q442 R443 V445W372-L434 HydrophobicContact CE3-CD1 4.13Å; W372-L434 HydrophobicContact CE3-CD2 3.73Å; W372-L434 HydrophobicContact CH2-CD2 4.3Å; W372-L434 HydrophobicContact CZ3-CD1 4.16Å; W372-L434 HydrophobicContact CZ3-CD2 3.56Å; W372-L434 HydrophobicContact CZ3-CG 4.46Å; V375-L434 HydrophobicContact CG1-CD1 3.85Å; W376-L434 HydrophobicContact CE3-CB 4Å; W376-L434 HydrophobicContact CE3-CD1 4.23Å; W376-L434 HydrophobicContact CZ3-CB 3.87Å; I414-L434 HydrophobicContact CG2-CB 4.16Å; I414-L434 HydrophobicContact CG2-CD2 4.1Å; A415-L434 WeakPolarHBondContact O-CA 3.39Å; V416-L434 HydrophobicContact CB-CD2 4.24Å; V416-L434 HydrophobicContact CG1-CD2 4Å; V416-L434 HydrophobicContact CG2-CD2 3.74Å; L434-Q442 CarbonylContact O-C 3.47Å; L434-Q442 VanDerWaalsContact O-CA 3.24Å; L434-Q442 WeakPolarHBondContact O-CA 3.43Å; L434-R443 PolarHBondContact N-O 3.47Å; L434-R443 PolarHBondContact O-N 2.92Å; L434-V445 HydrophobicContact CD1-CG2 3.54Å; L434-V445 HydrophobicContact CG-CG2 3.93Å
435H97.6Very high95.9Very high48 Ų4855.2 Ų55.222%0.22229%0.288CS..EExtended strand (participates in β ladder)trans-113.9116.9171.9-50.1-113.6000108.3I414 A415 E433 T437 Q442I414-H435 WeakPolarHBondContact CA-O 3.48Å; A415-H435 HydrophobicContact CB-CB 4.25Å; A415-H435 PolarHBondContact N-O 3.13Å; A415-H435 PolarHBondContact O-N 2.89Å; E433-H435 VanDerWaalsContact CD-NE2 3.27Å; E433-H435 WeakPolarHBondContact CG-NE2 3.39Å; E433-H435 IonicContact OE1-CE1 3.55Å; E433-H435 PolarHBondContact OE1-CE1 2.9Å; E433-H435 IonicContact OE1-ND1 3.29Å; E433-H435 IonicContact OE1-NE2 2.68Å; E433-H435 PolarHBondContact OE1-NE2 3.26Å; E433-H435 IonicContact OE2-CE1 2.95Å; E433-H435 IonicContact OE2-NE2 3.55Å; H435-T437 PolarHBondContact O-N 2.96Å; H435-Q442 PolarHBondContact CE1-NE2 2.87Å; H435-Q442 PolarHBondContact ND1-NE2 3.11Å
436N94.4Very high96.1Very high7 Ų749.4 Ų49.44%0.03725%0.253CS..EExtended strand (participates in β ladder)trans-83.8113.5172.4-176.2-36000109W376 H413 I414 E438 T439 C440 E441W376-N436 HydrophobicContact CD2-CB 4.1Å; W376-N436 VanDerWaalsContact CE2-ND2 3.3Å; W376-N436 HydrophobicContact CE3-CB 4.23Å; W376-N436 HydrophobicContact CH2-CB 3.48Å; W376-N436 VanDerWaalsContact CH2-CB 3.48Å; W376-N436 HydrophobicContact CZ2-CB 3.33Å; W376-N436 HydrophobicContact CZ3-CB 3.93Å; W376-N436 PolarHBondContact NE1-ND2 3.37Å; H413-N436 WeakPolarHBondContact O-CA 3.37Å; I414-N436 HydrophobicContact CD1-CB 3.94Å; N436-E438 PolarHBondContact O-N 3.48Å; N436-E438 WeakPolarHBondContact OD1-CA 3.24Å; N436-E438 WeakPolarHBondContact OD1-CB 3.36Å; N436-E438 PolarHBondContact OD1-N 2.88Å; N436-T439 WeakPolarHBondContact CB-OG1 3.39Å; N436-T439 VanDerWaalsContact CG-OG1 3.29Å; N436-T439 PolarHBondContact O-N 2.95Å; N436-T439 PolarHBondContact OD1-N 3.35Å; N436-T439 VanDerWaalsContact OD1-N 3.13Å; N436-C440 VanDerWaalsContact O-CA 3.25Å; N436-C440 WeakPolarHBondContact O-CA 3.49Å; N436-C440 PolarHBondContact O-N 3.32Å; N436-E441 PolarHBondContact N-O 3.43Å
437T91.9Very high96.3Very high80 Ų8046.2 Ų46.249%0.49124%0.238SC..THydrogen-bonded Turntrans-73.6-16.4-175.961.40000113.3H413 H435H413-T437 WeakPolarHBondContact CA-OG1 3.35Å; H413-T437 PolarHBondContact O-N 3.45Å; H413-T437 PolarHBondContact O-OG1 3.45Å; H413-T437 VanDerWaalsContact O-OG1 3.12Å; H435-T437 PolarHBondContact O-N 2.96Å
438E90.2Very high96.4Very high107 Ų10744.8 Ų44.850%0.523%0.232SC..THydrogen-bonded Turntrans-84.5-39.3175.5-63.7176.4124.700112R335 H413 N436R335-E438 IonicContact CZ-OE2 2.69Å; R335-E438 IonicContact NE-OE1 3.16Å; R335-E438 IonicContact NE-OE2 3.59Å; R335-E438 IonicContact NH2-OE2 3.03Å; R335-E438 PolarHBondContact NH2-OE2 3.39Å; H413-E438 HydrophobicContact CB-CG 3.87Å; H413-E438 IonicContact CD2-OE1 2.8Å; H413-E438 IonicContact CE1-OE1 3.74Å; H413-E438 IonicContact CG-OE1 3.82Å; H413-E438 IonicContact CG-OE2 2.85Å; H413-E438 WeakPolarHBondContact ND1-CG 3.35Å; H413-E438 IonicContact ND1-OE1 2.65Å; H413-E438 IonicContact NE2-OE1 3.52Å; N436-E438 PolarHBondContact O-N 3.48Å; N436-E438 WeakPolarHBondContact OD1-CA 3.24Å; N436-E438 WeakPolarHBondContact OD1-CB 3.36Å; N436-E438 PolarHBondContact OD1-N 2.88Å
439T91.6Very high96.4Very high72 Ų7244.5 Ų44.544%0.44223%0.23SC..THydrogen-bonded Turntrans-102.4-10.2-175.265.90000113.8N436 E441N436-T439 WeakPolarHBondContact CB-OG1 3.39Å; N436-T439 VanDerWaalsContact CG-OG1 3.29Å; N436-T439 PolarHBondContact O-N 2.95Å; N436-T439 PolarHBondContact OD1-N 3.35Å; N436-T439 VanDerWaalsContact OD1-N 3.13Å; T439-E441 PolarHBondContact O-N 2.88Å; T439-E441 VanDerWaalsContact O-N 3.15Å; T439-E441 WeakPolarHBondContact OG1-CB 3.37Å; T439-E441 PolarHBondContact OG1-N 2.85Å
440C91.5Very high96.4Very high116 Ų11643.5 Ų43.578%0.78423%0.226SC*.  trans56.221-171.4-56.30000113.8N436N436-C440 VanDerWaalsContact O-CA 3.25Å; N436-C440 WeakPolarHBondContact O-CA 3.49Å; N436-C440 PolarHBondContact O-N 3.32Å
441E94.4Very high96.2Very high93 Ų9344.8 Ų44.844%0.43523%0.232SC..  trans-85.9152.8174.4-69.4-177.9178.500111.2W376 N436 T439 R443W376-E441 HydrophobicContact CH2-CB 3.67Å; W376-E441 WeakPolarHBondContact CH2-O 3.24Å; W376-E441 HydrophobicContact CZ2-CB 3.69Å; W376-E441 WeakPolarHBondContact CZ2-OE2 3.49Å; N436-E441 PolarHBondContact N-O 3.43Å; T439-E441 PolarHBondContact O-N 2.88Å; T439-E441 VanDerWaalsContact O-N 3.15Å; T439-E441 WeakPolarHBondContact OG1-CB 3.37Å; T439-E441 PolarHBondContact OG1-N 2.85Å; E441-R443 IonicContact OE2-CZ 2.75Å; E441-R443 IonicContact OE2-NE 2.71Å; E441-R443 IonicContact OE2-NH2 3.67Å; E441-R443 PolarHBondContact OE2-NH2 3.1Å
442Q95.3Very high95.9Very high120 Ų12045.1 Ų45.156%0.56124%0.236SC*.EExtended strand (participates in β ladder)trans-122.3143.3176.1-72.1171-34.200111.7E433 L434 H435E433-Q442 VanDerWaalsContact OE1-CD 3.25Å; E433-Q442 PolarHBondContact OE1-NE2 3.24Å; L434-Q442 CarbonylContact O-C 3.47Å; L434-Q442 VanDerWaalsContact O-CA 3.24Å; L434-Q442 WeakPolarHBondContact O-CA 3.43Å; H435-Q442 PolarHBondContact CE1-NE2 2.87Å; H435-Q442 PolarHBondContact ND1-NE2 3.11Å
443R96Very high95.5Very high69 Ų6945.6 Ų45.626%0.2624%0.238SC..EExtended strand (participates in β ladder)trans-143.1148.2177.3-61.7178.1-168.9-173.5-4.5110.9W376 N379 L434 E441W376-R443 HydrophobicContact CE3-CG 4.42Å; W376-R443 HydrophobicContact CH2-CB 4.46Å; W376-R443 HydrophobicContact CH2-CG 3.72Å; W376-R443 HydrophobicContact CZ3-CB 3.95Å; W376-R443 HydrophobicContact CZ3-CG 3.67Å; W376-R443 PolarHBondContact O-NH1 3.23Å; N379-R443 PolarHBondContact OD1-NH1 3.38Å; L434-R443 PolarHBondContact N-O 3.47Å; L434-R443 PolarHBondContact O-N 2.92Å; E441-R443 IonicContact OE2-CZ 2.75Å; E441-R443 IonicContact OE2-NE 2.71Å; E441-R443 IonicContact OE2-NH2 3.67Å; E441-R443 PolarHBondContact OE2-NH2 3.1Å
444H97Very high94.9Very high104 Ų10446.5 Ų46.548%0.48125%0.246SC..EExtended strand (participates in β ladder)trans-99.5137.5174.2-68.780.1000110.6L432 M479L432-H444 WeakPolarHBondContact O-CA 3.46Å; H444-M479 WeakPolarHBondContact O-CE 3.32Å
445V98.6Very high93.6Very high1 Ų149.9 Ų49.91%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-128.7132.6175.6178.20000109.5V375 V380 L381 I383 L432 L434V375-V445 HydrophobicContact CG1-CG2 4.15Å; V380-V445 WeakPolarHBondContact O-CG2 3.21Å; L381-V445 WeakPolarHBondContact O-CA 3.25Å; I383-V445 HydrophobicContact CD1-CG1 3.75Å; I383-V445 HydrophobicContact CG1-CG1 3.87Å; L432-V445 HydrophobicContact CB-CB 4.49Å; L432-V445 PolarHBondContact N-O 3.04Å; L432-V445 PolarHBondContact O-N 3.38Å; L434-V445 HydrophobicContact CD1-CG2 3.54Å; L434-V445 HydrophobicContact CG-CG2 3.93Å
446S98.8Very high92.5Very high3 Ų357.3 Ų57.32%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-92.2124.2169.9-67.10000110.4L381 L382 I383 H429 Q475 M479L381-S446 PolarHBondContact O-N 3.33Å; L382-S446 CarbonylContact C-O 3.57Å; L382-S446 VanDerWaalsContact CA-O 3.29Å; L382-S446 WeakPolarHBondContact CA-O 3.46Å; I383-S446 PolarHBondContact N-O 3.07Å; H429-S446 WeakPolarHBondContact NE2-CB 3.35Å; H429-S446 PolarHBondContact NE2-OG 3.42Å; S446-Q475 PolarHBondContact OG-NE2 3.22Å; S446-M479 PolarHBondContact OG-SD 2.91Å
447H98.8Very high92Very high0 Ų059.1 Ų59.10%031%0.312CS..EExtended strand (participates in β ladder)trans-107.4120.1176.2179.6-77.8000109.9Y400 W401 H429 T430 L432Y400-H447 AromaticContact CZ-NE2 3.6Å; Y400-H447 PolarHBondContact OH-CD2 2.85Å; Y400-H447 PolarHBondContact OH-NE2 3.17Å; W401-H447 AromaticContact CD2-NE2 3.99Å; W401-H447 AromaticContact CE2-CE1 3.85Å; W401-H447 AromaticContact CE3-NE2 3.93Å; W401-H447 AromaticContact CZ2-CE1 3.85Å; H429-H447 CarbonylContact C-O 3.49Å; H429-H447 WeakPolarHBondContact CA-O 3.34Å; T430-H447 PolarHBondContact N-O 3.19Å; T430-H447 PolarHBondContact O-N 3.33Å; L432-H447 HydrophobicContact CD1-CB 3.89Å; L432-H447 HydrophobicContact CG-CB 4.41Å
448F98.8Very high91.7Very high4 Ų457.1 Ų57.12%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-111.1118.8179.1-80-97.6000109.8L382 I383 V384 M385 Y427 N428 H429 F468 V472 Q475L382-F448 HydrophobicContact CD1-CD2 4.16Å; L382-F448 HydrophobicContact CD1-CE2 3.96Å; L382-F448 HydrophobicContact CD2-CD2 3.94Å; L382-F448 HydrophobicContact CG-CD2 4.03Å; L382-F448 HydrophobicContact CG-CE2 4.24Å; I383-F448 PolarHBondContact O-N 2.65Å; V384-F448 CarbonylContact C-O 3.57Å; V384-F448 WeakPolarHBondContact CA-O 3.22Å; M385-F448 PolarHBondContact N-O 2.87Å; Y427-F448 AromaticContact CD2-CD1 3.79Å; Y427-F448 HydrophobicContact CD2-CD1 3.79Å; Y427-F448 HydrophobicContact CD2-CE1 4.18Å; Y427-F448 AromaticContact CE2-CD1 3.83Å; Y427-F448 HydrophobicContact CE2-CD1 3.83Å; Y427-F448 AromaticContact CE2-CE1 3.72Å; Y427-F448 HydrophobicContact CE2-CE1 3.72Å; N428-F448 WeakPolarHBondContact O-CA 3.17Å; H429-F448 HydrophobicContact CB-CD1 4.15Å; H429-F448 HydrophobicContact CB-CE1 3.85Å; H429-F448 HydrophobicContact CB-CZ 4.15Å; H429-F448 AromaticContact CD2-CE2 3.6Å; H429-F448 AromaticContact CD2-CZ 3.68Å; H429-F448 AromaticContact CE1-CZ 3.99Å; H429-F448 AromaticContact CG-CE1 3.81Å; H429-F448 AromaticContact CG-CE2 3.98Å; H429-F448 AromaticContact CG-CZ 3.57Å; H429-F448 AromaticContact ND1-CZ 3.74Å; H429-F448 AromaticContact NE2-CE2 3.84Å; H429-F448 AromaticContact NE2-CZ 3.96Å; F448-F468 HydrophobicContact CB-CE2 3.79Å; F448-F468 HydrophobicContact CB-CZ 3.79Å; F448-F468 AromaticContact CD1-CE2 3.91Å; F448-F468 HydrophobicContact CD1-CE2 3.91Å; F448-F468 HydrophobicContact CG-CE2 4.3Å; F448-V472 HydrophobicContact CB-CG2 4.08Å; F448-V472 HydrophobicContact CD1-CG2 3.92Å; F448-V472 HydrophobicContact CD2-CG2 4.3Å; F448-V472 HydrophobicContact CE1-CG2 4.45Å; F448-V472 HydrophobicContact CG-CG2 3.83Å; F448-Q475 HydrophobicContact CE2-CB 3.95Å; F448-Q475 HydrophobicContact CE2-CG 3.78Å; F448-Q475 HydrophobicContact CZ-CB 3.82Å; F448-Q475 HydrophobicContact CZ-CG 3.96Å
449Q98.5Very high91.5Very high21 Ų2152.6 Ų52.610%0.09828%0.279CS..EExtended strand (participates in β ladder)trans-110111.7175.7-173.5-176.321.600110.7M385 T387 Y427 N428 L451M385-Q449 HydrophobicContact CB-CB 4.38Å; M385-Q449 HydrophobicContact CB-CG 4.29Å; M385-Q449 HydrophobicContact CG-CG 4.05Å; M385-Q449 CarbonylContact O-C 3.48Å; M385-Q449 WeakPolarHBondContact O-CA 3.47Å; M385-Q449 HydrophobicContact SD-CG 4.09Å; T387-Q449 PolarHBondContact O-NE2 3.36Å; Y427-Q449 CarbonylContact C-O 3.57Å; Y427-Q449 WeakPolarHBondContact CA-O 3.3Å; Y427-Q449 WeakPolarHBondContact CB-O 3.46Å; N428-Q449 HydrophobicContact CB-CB 4.47Å; N428-Q449 PolarHBondContact N-O 3.03Å; N428-Q449 PolarHBondContact O-N 3.06Å; Q449-L451 HydrophobicContact CG-CD2 3.96Å
450Y97.3Very high90.7Very high2 Ų256.7 Ų56.71%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-78.7126.7174.7-173.2-112.9000111.1M385 H426 W453 T464 L465 F468M385-Y450 PolarHBondContact O-N 3.42Å; H426-Y450 HydrophobicContact CB-CE2 4.19Å; H426-Y450 VanDerWaalsContact O-CD2 3.32Å; H426-Y450 WeakPolarHBondContact O-CD2 3.47Å; Y450-W453 HydrophobicContact CD1-CB 3.94Å; Y450-W453 HydrophobicContact CD1-CE3 4.33Å; Y450-W453 HydrophobicContact CE1-CB 3.9Å; Y450-W453 HydrophobicContact CE1-CE3 4.24Å; Y450-W453 VanDerWaalsContact CE1-N 3.3Å; Y450-T464 PolarHBondContact OH-OG1 3.36Å; Y450-L465 HydrophobicContact CD1-CD1 4.26Å; Y450-L465 HydrophobicContact CE1-CD1 4.07Å; Y450-F468 HydrophobicContact CD2-CB 3.89Å; Y450-F468 AromaticContact CD2-CD1 3.93Å; Y450-F468 HydrophobicContact CD2-CD1 3.93Å; Y450-F468 AromaticContact CD2-CD2 3.96Å; Y450-F468 HydrophobicContact CD2-CD2 3.96Å; Y450-F468 HydrophobicContact CD2-CE1 4.45Å; Y450-F468 HydrophobicContact CD2-CE2 4.45Å; Y450-F468 AromaticContact CD2-CG 3.65Å; Y450-F468 HydrophobicContact CD2-CG 3.65Å; Y450-F468 HydrophobicContact CE2-CB 4.05Å; Y450-F468 HydrophobicContact CE2-CG 4.3Å; Y450-F468 HydrophobicContact CG-CD1 4.23Å; Y450-F468 HydrophobicContact CG-CE1 4.39Å; Y450-F468 HydrophobicContact CG-CG 4.37Å
451L94.4Very high90.1Very high33 Ų3353 Ų5317%0.17328%0.28CS..  trans-108.4-13.2-168.9-62.1177.8000114.3R388 H426 Q449R388-L451 PolarHBondContact NH2-O 3.33Å; H426-L451 PolarHBondContact O-N 3.45Å; Q449-L451 HydrophobicContact CG-CD2 3.96Å
452S92.4Very high89.8Confident41 Ų4148.6 Ų48.629%0.28726%0.259SS..  trans-101.915.9-173.4-59.70000113.8H426H426-S452 WeakPolarHBondContact CA-OG 3.47Å; H426-S452 PolarHBondContact ND1-OG 3.2Å
453W91.4Very high89.4Confident10 Ų1044.8 Ų44.84%0.03824%0.244CC..SBendtrans-80.2126.4167-157.3-60.4000109.3Y450 G457 P459 L465 R506 T509Y450-W453 HydrophobicContact CD1-CB 3.94Å; Y450-W453 HydrophobicContact CD1-CE3 4.33Å; Y450-W453 HydrophobicContact CE1-CB 3.9Å; Y450-W453 HydrophobicContact CE1-CE3 4.24Å; Y450-W453 VanDerWaalsContact CE1-N 3.3Å; W453-G457 PolarHBondContact NE1-O 3.22Å; W453-P459 HydrophobicContact CD2-CG 4.29Å; W453-L465 HydrophobicContact CZ3-CD1 4.34Å; W453-L465 HydrophobicContact CZ3-CD2 3.84Å; W453-R506 HydrophobicContact CD2-CB 4.29Å; W453-R506 VanDerWaalsContact CD2-CD 3.44Å; W453-R506 HydrophobicContact CD2-CG 3.76Å; W453-R506 VanDerWaalsContact CE2-CG 3.49Å; W453-R506 HydrophobicContact CE3-CB 4.14Å; W453-R506 HydrophobicContact CE3-CG 4.14Å; W453-R506 HydrophobicContact CG-CG 4.31Å; W453-R506 VanDerWaalsContact CG-NE 3.3Å; W453-R506 HydrophobicContact CH2-CB 3.98Å; W453-R506 HydrophobicContact CH2-CG 4.01Å; W453-R506 HydrophobicContact CZ2-CB 4.15Å; W453-R506 HydrophobicContact CZ2-CG 3.65Å; W453-R506 HydrophobicContact CZ3-CB 3.98Å; W453-R506 HydrophobicContact CZ3-CG 4.25Å; W453-R506 VanDerWaalsContact NE1-NE 3.2Å; W453-T509 HydrophobicContact CH2-CG2 3.71Å; W453-T509 HydrophobicContact CZ3-CG2 4.42Å
454P86.1Confident89.2Confident44 Ų4443 Ų4329%0.28624%0.241SC..  trans-70152.1-17928.5-36000113.4Y456 R506P454-Y456 WeakPolarHBondContact CG-O 3.39Å; P454-Y456 PolarHBondContact O-N 3.44Å; P454-R506 PolarHBondContact O-NH2 3.29Å
455D71.7Confident89Confident73 Ų7338.1 Ų38.139%0.3922%0.218SC..SBendtrans-60.4-31.6177.3-69.1-1000112.3G392G392-D455 PolarHBondContact N-OD2 2.79Å
456Y73Confident88.8Confident203 Ų20338.7 Ų38.780%0.79622%0.221SC*.SBendtrans-120.7133.9176.3-59.3-81.9000111.2P454P454-Y456 WeakPolarHBondContact CG-O 3.39Å; P454-Y456 PolarHBondContact O-N 3.44Å
457G84.7Confident88.6Confident46 Ų4642 Ų4247%0.47424%0.239SC..SBendtrans73.3-139.8174.600000114.7W453W453-G457 PolarHBondContact NE1-O 3.22Å
458V86.3Confident88.5Confident38 Ų3842.1 Ų42.123%0.2324%0.239CC..  trans-126156.2-174.1-65.10000110.4E547 Q548 F551V458-E547 HydrophobicContact CG1-CB 4.14Å; V458-Q548 HydrophobicContact CG1-CB 4.45Å; V458-Q548 HydrophobicContact CG1-CG 3.94Å; V458-F551 HydrophobicContact CB-CB 4.03Å; V458-F551 HydrophobicContact CB-CD2 3.94Å; V458-F551 HydrophobicContact CB-CG 3.96Å; V458-F551 HydrophobicContact CG1-CB 3.92Å; V458-F551 HydrophobicContact CG1-CG 4.22Å; V458-F551 HydrophobicContact CG2-CB 4.08Å; V458-F551 HydrophobicContact CG2-CD2 4.03Å; V458-F551 HydrophobicContact CG2-CG 4.28Å
459P84.6Confident88.4Confident11 Ų1142.5 Ų42.57%0.07124%0.241CC..  trans-54.4143.4171.8-24.534.9000112W453 S461 F551W453-P459 HydrophobicContact CD2-CG 4.29Å; P459-S461 VanDerWaalsContact C-N 3.29Å; P459-S461 WeakPolarHBondContact CB-O 3.19Å; P459-S461 PolarHBondContact O-N 3.35Å; P459-F551 HydrophobicContact CB-CE2 4.06Å; P459-F551 HydrophobicContact CB-CZ 4.16Å; P459-F551 HydrophobicContact CG-CE2 4.38Å; P459-F551 HydrophobicContact CG-CZ 4.11Å; P459-F551 VanDerWaalsContact O-CE2 3.26Å; P459-F551 WeakPolarHBondContact O-CE2 3.4Å
460T75.7Confident88.3Confident159 Ų15942.5 Ų42.598%0.97525%0.247SC*.SBendtrans-72.5-22.4178.349.30000113.3
461S79.1Confident88.4Confident39 Ų3942.8 Ų42.827%0.27325%0.25SS..  trans-133.8145.4170.2164.30000109.1P459 V463 E558P459-S461 VanDerWaalsContact C-N 3.29Å; P459-S461 WeakPolarHBondContact CB-O 3.19Å; P459-S461 PolarHBondContact O-N 3.35Å; S461-V463 WeakPolarHBondContact OG-CB 3.3Å; S461-V463 WeakPolarHBondContact OG-CG2 3.36Å; S461-V463 PolarHBondContact OG-N 2.88Å; S461-V463 VanDerWaalsContact OG-N 3.14Å; S461-E558 PolarHBondContact OG-OE1 3.02Å
462A87.4Confident88.6Confident0 Ų041.2 Ų41.20%024%0.242CC..SBendtrans-86.8-8.8176.600000113.4T464 L465 I466 F551 A555 E558A462-T464 VanDerWaalsContact C-N 3.29Å; A462-T464 PolarHBondContact O-N 3.05Å; A462-L465 PolarHBondContact O-N 3.01Å; A462-L465 VanDerWaalsContact O-N 3.1Å; A462-I466 HydrophobicContact CB-CD1 3.75Å; A462-I466 HydrophobicContact CB-CG1 4.32Å; A462-I466 WeakPolarHBondContact O-CB 3.26Å; A462-I466 WeakPolarHBondContact O-CD1 3.19Å; A462-I466 VanDerWaalsContact O-CG1 3.3Å; A462-I466 WeakPolarHBondContact O-CG1 3.31Å; A462-I466 PolarHBondContact O-N 2.61Å; A462-F551 HydrophobicContact CB-CE2 4.07Å; A462-F551 HydrophobicContact CB-CZ 3.8Å; A462-A555 HydrophobicContact CB-CB 3.25Å; A462-E558 VanDerWaalsContact CB-OE2 3.3Å; A462-E558 WeakPolarHBondContact CB-OE2 3.24Å; A462-E558 PolarHBondContact N-OE2 3.32Å
463V87.5Confident88.8Confident40 Ų4041.5 Ų41.524%0.24224%0.238CC..Hα-helixtrans-49.3-51.1-176.9165.70000111.7S461 L465 I466 D467 E558S461-V463 WeakPolarHBondContact OG-CB 3.3Å; S461-V463 WeakPolarHBondContact OG-CG2 3.36Å; S461-V463 PolarHBondContact OG-N 2.88Å; S461-V463 VanDerWaalsContact OG-N 3.14Å; V463-L465 VanDerWaalsContact C-N 3.35Å; V463-L465 PolarHBondContact O-N 2.84Å; V463-I466 PolarHBondContact O-N 3.33Å; V463-D467 WeakPolarHBondContact O-CB 3.49Å; V463-D467 PolarHBondContact O-N 3.35Å; V463-E558 HydrophobicContact CG2-CG 4.42Å; V463-E558 WeakPolarHBondContact CG2-OE1 3.16Å
464T91.1Very high89.1Confident32 Ų3248 Ų4820%0.19626%0.262CS..Hα-helixtrans-65.9-37.2-176.152.40000112.3Y450 A462 F468Y450-T464 PolarHBondContact OH-OG1 3.36Å; A462-T464 VanDerWaalsContact C-N 3.29Å; A462-T464 PolarHBondContact O-N 3.05Å; T464-F468 VanDerWaalsContact O-CB 3.29Å; T464-F468 WeakPolarHBondContact O-CB 3.48Å; T464-F468 PolarHBondContact O-N 3.03Å
465L93.4Very high89.7Confident1 Ų147.4 Ų47.41%0.00526%0.256CS..Hα-helixtrans-72.7-38.9176.9-175.664.4000112.1Y450 W453 A462 V463 F468 L469 F510 L513 F551Y450-L465 HydrophobicContact CD1-CD1 4.26Å; Y450-L465 HydrophobicContact CE1-CD1 4.07Å; W453-L465 HydrophobicContact CZ3-CD1 4.34Å; W453-L465 HydrophobicContact CZ3-CD2 3.84Å; A462-L465 PolarHBondContact O-N 3.01Å; A462-L465 VanDerWaalsContact O-N 3.1Å; V463-L465 VanDerWaalsContact C-N 3.35Å; V463-L465 PolarHBondContact O-N 2.84Å; L465-F468 HydrophobicContact CD1-CD1 4.23Å; L465-F468 WeakPolarHBondContact O-CB 3.08Å; L465-F468 PolarHBondContact O-N 3.31Å; L465-L469 WeakPolarHBondContact O-CB 3.45Å; L465-L469 PolarHBondContact O-N 3.4Å; L465-F510 HydrophobicContact CD1-CD2 4.45Å; L465-L513 HydrophobicContact CD2-CD1 3.6Å; L465-L513 HydrophobicContact CG-CD1 4.37Å; L465-F551 HydrophobicContact CD2-CE1 3.7Å; L465-F551 HydrophobicContact CD2-CZ 4.11Å
466I94.2Very high90.9Very high13 Ų1344.6 Ų44.67%0.06724%0.241CC..Hα-helixtrans-65.5-43.2175.6-70.4160.6000110.4A462 V463 F468 L469 G470 L517 A555 H559A462-I466 HydrophobicContact CB-CD1 3.75Å; A462-I466 HydrophobicContact CB-CG1 4.32Å; A462-I466 WeakPolarHBondContact O-CB 3.26Å; A462-I466 WeakPolarHBondContact O-CD1 3.19Å; A462-I466 VanDerWaalsContact O-CG1 3.3Å; A462-I466 WeakPolarHBondContact O-CG1 3.31Å; A462-I466 PolarHBondContact O-N 2.61Å; V463-I466 PolarHBondContact O-N 3.33Å; I466-F468 VanDerWaalsContact C-N 3.33Å; I466-L469 WeakPolarHBondContact O-CB 3.33Å; I466-L469 PolarHBondContact O-N 3.43Å; I466-G470 PolarHBondContact O-N 3.27Å; I466-L517 HydrophobicContact CG1-CD1 4.44Å; I466-A555 WeakPolarHBondContact CD1-O 3.17Å; I466-H559 HydrophobicContact CD1-CB 3.85Å; I466-H559 WeakPolarHBondContact CG2-ND1 3.26Å
467D93.9Very high92Very high73 Ų7341.8 Ų41.839%0.3923%0.228SC..Hα-helixtrans-66.7-38.9178.6-68-6000110.7V463 G470 A471 R562V463-D467 WeakPolarHBondContact O-CB 3.49Å; V463-D467 PolarHBondContact O-N 3.35Å; D467-G470 PolarHBondContact O-N 2.95Å; D467-A471 PolarHBondContact O-N 3.01Å; D467-R562 IonicContact OD1-CZ 3.86Å; D467-R562 IonicContact OD1-NH1 2.68Å; D467-R562 PolarHBondContact OD1-NH1 2.86Å; D467-R562 IonicContact OD1-NH2 3.35Å; D467-R562 PolarHBondContact OD1-NH2 2.79Å; D467-R562 IonicContact OD2-NH2 3.86Å
468F97.1Very high92.6Very high2 Ų246.5 Ų46.51%0.00924%0.236CC..Hα-helixtrans-60.1-49.1170.7173.3-107.1000112.2V384 Y427 F448 Y450 T464 L465 I466 G470 A471 V472 F510V384-F468 HydrophobicContact CG1-CE1 3.76Å; V384-F468 HydrophobicContact CG1-CZ 3.92Å; Y427-F468 AromaticContact CD1-CD2 3.68Å; Y427-F468 HydrophobicContact CD1-CD2 3.68Å; Y427-F468 HydrophobicContact CD1-CE2 4.44Å; Y427-F468 HydrophobicContact CD2-CD2 4.05Å; Y427-F468 HydrophobicContact CD2-CE2 4.07Å; Y427-F468 HydrophobicContact CE1-CD2 4.35Å; Y427-F468 AromaticContact CG-CD2 3.5Å; Y427-F468 HydrophobicContact CG-CD2 3.5Å; Y427-F468 AromaticContact CG-CE2 3.81Å; Y427-F468 HydrophobicContact CG-CE2 3.81Å; F448-F468 HydrophobicContact CB-CE2 3.79Å; F448-F468 HydrophobicContact CB-CZ 3.79Å; F448-F468 AromaticContact CD1-CE2 3.91Å; F448-F468 HydrophobicContact CD1-CE2 3.91Å; F448-F468 HydrophobicContact CG-CE2 4.3Å; Y450-F468 HydrophobicContact CD2-CB 3.89Å; Y450-F468 AromaticContact CD2-CD1 3.93Å; Y450-F468 HydrophobicContact CD2-CD1 3.93Å; Y450-F468 AromaticContact CD2-CD2 3.96Å; Y450-F468 HydrophobicContact CD2-CD2 3.96Å; Y450-F468 HydrophobicContact CD2-CE1 4.45Å; Y450-F468 HydrophobicContact CD2-CE2 4.45Å; Y450-F468 AromaticContact CD2-CG 3.65Å; Y450-F468 HydrophobicContact CD2-CG 3.65Å; Y450-F468 HydrophobicContact CE2-CB 4.05Å; Y450-F468 HydrophobicContact CE2-CG 4.3Å; Y450-F468 HydrophobicContact CG-CD1 4.23Å; Y450-F468 HydrophobicContact CG-CE1 4.39Å; Y450-F468 HydrophobicContact CG-CG 4.37Å; T464-F468 VanDerWaalsContact O-CB 3.29Å; T464-F468 WeakPolarHBondContact O-CB 3.48Å; T464-F468 PolarHBondContact O-N 3.03Å; L465-F468 HydrophobicContact CD1-CD1 4.23Å; L465-F468 WeakPolarHBondContact O-CB 3.08Å; L465-F468 PolarHBondContact O-N 3.31Å; I466-F468 VanDerWaalsContact C-N 3.33Å; F468-G470 VanDerWaalsContact C-N 3.26Å; F468-G470 PolarHBondContact O-N 2.92Å; F468-A471 WeakPolarHBondContact O-CB 3.39Å; F468-A471 PolarHBondContact O-N 3.16Å; F468-V472 HydrophobicContact CD1-CG2 4.45Å; F468-V472 HydrophobicContact CD2-CG2 4.43Å; F468-V472 HydrophobicContact CE1-CG2 4.03Å; F468-V472 HydrophobicContact CE2-CG2 4.05Å; F468-V472 HydrophobicContact CZ-CG2 3.83Å; F468-V472 WeakPolarHBondContact O-CG2 3.44Å; F468-V472 PolarHBondContact O-N 2.87Å; F468-F510 HydrophobicContact CD1-CD2 4.41Å; F468-F510 AromaticContact CD1-CE2 3.92Å; F468-F510 HydrophobicContact CD1-CE2 3.92Å; F468-F510 HydrophobicContact CE1-CD2 4.27Å; F468-F510 AromaticContact CE1-CE2 3.77Å; F468-F510 HydrophobicContact CE1-CE2 3.77Å
469L97.1Very high93.1Very high11 Ų1145.9 Ų45.96%0.05823%0.231CC..Hα-helixtrans-56.2-43.1173.917465.3000111L465 I466 A471 V472 K473 F510 D514 L517L465-L469 WeakPolarHBondContact O-CB 3.45Å; L465-L469 PolarHBondContact O-N 3.4Å; I466-L469 WeakPolarHBondContact O-CB 3.33Å; I466-L469 PolarHBondContact O-N 3.43Å; L469-A471 VanDerWaalsContact C-N 3.34Å; L469-A471 PolarHBondContact O-N 3.4Å; L469-V472 PolarHBondContact O-N 3.17Å; L469-K473 HydrophobicContact CD1-CG 4.08Å; L469-K473 HydrophobicContact CG-CG 4.42Å; L469-K473 WeakPolarHBondContact O-CB 3.37Å; L469-K473 VanDerWaalsContact O-CG 3.27Å; L469-K473 WeakPolarHBondContact O-CG 3.46Å; L469-K473 PolarHBondContact O-N 3.26Å; L469-F510 HydrophobicContact CB-CE2 4.16Å; L469-F510 HydrophobicContact CD1-CD2 4.48Å; L469-F510 HydrophobicContact CD1-CE1 4.08Å; L469-F510 HydrophobicContact CD1-CE2 3.68Å; L469-F510 HydrophobicContact CD1-CZ 3.45Å; L469-F510 VanDerWaalsContact CD1-CZ 3.45Å; L469-D514 HydrophobicContact CD1-CB 3.75Å; L469-D514 HydrophobicContact CD2-CB 4.23Å; L469-L517 HydrophobicContact CD2-CD1 3.9Å
470G96.7Very high93.5Very high22 Ų2246.4 Ų46.423%0.22723%0.234CC..Hα-helixtrans-59.4-41.5174.700000113.1I466 D467 F468 R474I466-G470 PolarHBondContact O-N 3.27Å; D467-G470 PolarHBondContact O-N 2.95Å; F468-G470 VanDerWaalsContact C-N 3.26Å; F468-G470 PolarHBondContact O-N 2.92Å; G470-R474 WeakPolarHBondContact O-CG 3.12Å; G470-R474 PolarHBondContact O-N 3.4Å; G470-R474 PolarHBondContact O-NH1 3.17Å
471A98.1Very high94.3Very high8 Ų847.4 Ų47.47%0.06623%0.225CC..Hα-helixtrans-64.3-48.2175.200000111.8D467 F468 L469 K473 R474 Q475D467-A471 PolarHBondContact O-N 3.01Å; F468-A471 WeakPolarHBondContact O-CB 3.39Å; F468-A471 PolarHBondContact O-N 3.16Å; L469-A471 VanDerWaalsContact C-N 3.34Å; L469-A471 PolarHBondContact O-N 3.4Å; A471-K473 PolarHBondContact O-N 3.22Å; A471-R474 PolarHBondContact O-N 3.07Å; A471-Q475 PolarHBondContact O-N 3.47Å
472V98.4Very high95Very high0 Ų049.6 Ų49.60%025%0.245CC..Hα-helixtrans-56.4-48.4176166.50000111.2L382 V384 F448 F468 L469 R474 Q475 Q476 M496 F510L382-V472 HydrophobicContact CD1-CG1 4.03Å; L382-V472 WeakPolarHBondContact CD1-O 3.47Å; L382-V472 HydrophobicContact CD2-CG1 3.72Å; V384-V472 HydrophobicContact CG2-CG1 3.86Å; V384-V472 HydrophobicContact CG2-CG2 4.11Å; F448-V472 HydrophobicContact CB-CG2 4.08Å; F448-V472 HydrophobicContact CD1-CG2 3.92Å; F448-V472 HydrophobicContact CD2-CG2 4.3Å; F448-V472 HydrophobicContact CE1-CG2 4.45Å; F448-V472 HydrophobicContact CG-CG2 3.83Å; F468-V472 HydrophobicContact CD1-CG2 4.45Å; F468-V472 HydrophobicContact CD2-CG2 4.43Å; F468-V472 HydrophobicContact CE1-CG2 4.03Å; F468-V472 HydrophobicContact CE2-CG2 4.05Å; F468-V472 HydrophobicContact CZ-CG2 3.83Å; F468-V472 WeakPolarHBondContact O-CG2 3.44Å; F468-V472 PolarHBondContact O-N 2.87Å; L469-V472 PolarHBondContact O-N 3.17Å; V472-R474 PolarHBondContact O-N 3.02Å; V472-Q475 PolarHBondContact O-N 3.37Å; V472-Q476 PolarHBondContact O-N 3.44Å; V472-M496 HydrophobicContact CG1-CE 3.44Å; V472-M496 VanDerWaalsContact CG1-CE 3.44Å; V472-M496 HydrophobicContact CG1-SD 3.58Å; V472-M496 VanDerWaalsContact CG1-SD 3.58Å; V472-F510 HydrophobicContact CB-CZ 4.45Å; V472-F510 HydrophobicContact CG1-CZ 4.09Å
473K97.4Very high95.1Very high46 Ų4652.4 Ų52.420%0.226%0.26CS..Hα-helixtrans-66.1-36179.8-66.8-75-80-1440112.7L469 A471 R477 D514L469-K473 HydrophobicContact CD1-CG 4.08Å; L469-K473 HydrophobicContact CG-CG 4.42Å; L469-K473 WeakPolarHBondContact O-CB 3.37Å; L469-K473 VanDerWaalsContact O-CG 3.27Å; L469-K473 WeakPolarHBondContact O-CG 3.46Å; L469-K473 PolarHBondContact O-N 3.26Å; A471-K473 PolarHBondContact O-N 3.22Å; K473-R477 WeakPolarHBondContact O-CG 3.47Å; K473-R477 PolarHBondContact O-N 3.44Å; K473-R477 VanDerWaalsContact O-N 3.07Å; K473-D514 WeakPolarHBondContact CD-OD1 3.43Å; K473-D514 WeakPolarHBondContact CE-OD1 3.25Å; K473-D514 VanDerWaalsContact NZ-CG 3.27Å; K473-D514 IonicContact NZ-OD1 3.78Å; K473-D514 PolarHBondContact NZ-OD1 2.86Å; K473-D514 IonicContact NZ-OD2 3.83Å; K473-D514 PolarHBondContact NZ-OD2 3.47Å
474R97.9Very high95Very high146 Ų14652.3 Ų52.355%0.55127%0.267SS*.Hα-helixtrans-63.1-44.9173.1-77.1-172.7-58.7-90.83.3110.9G470 A471 V472 R477 K478G470-R474 WeakPolarHBondContact O-CG 3.12Å; G470-R474 PolarHBondContact O-N 3.4Å; G470-R474 PolarHBondContact O-NH1 3.17Å; A471-R474 PolarHBondContact O-N 3.07Å; V472-R474 PolarHBondContact O-N 3.02Å; R474-R477 PolarHBondContact O-N 3.21Å; R474-K478 PolarHBondContact O-N 2.87Å
475Q98.2Very high94.4Very high32 Ų3256.6 Ų56.615%0.1530%0.295CS..Hα-helixtrans-67.2-43.6179-175.562.8400112L382 S446 F448 A471 V472 R477 K478 M479L382-Q475 HydrophobicContact CD1-CB 4.07Å; L382-Q475 HydrophobicContact CD1-CG 4.1Å; S446-Q475 PolarHBondContact OG-NE2 3.22Å; F448-Q475 HydrophobicContact CE2-CB 3.95Å; F448-Q475 HydrophobicContact CE2-CG 3.78Å; F448-Q475 HydrophobicContact CZ-CB 3.82Å; F448-Q475 HydrophobicContact CZ-CG 3.96Å; A471-Q475 PolarHBondContact O-N 3.47Å; V472-Q475 PolarHBondContact O-N 3.37Å; Q475-R477 PolarHBondContact O-N 3.17Å; Q475-K478 WeakPolarHBondContact O-CB 3.44Å; Q475-K478 PolarHBondContact O-N 2.8Å; Q475-K478 VanDerWaalsContact O-N 3.15Å; Q475-M479 HydrophobicContact CG-CG 4.4Å; Q475-M479 HydrophobicContact CG-SD 4.15Å; Q475-M479 WeakPolarHBondContact O-CG 3.45Å; Q475-M479 PolarHBondContact O-N 3.24Å
476Q96.4Very high93.6Very high15 Ų1564.6 Ų64.67%0.0733%0.332CS..Hα-helixtrans-54.2-51.7173.5-179.467.312.400111L382 V472 K478 M479 V480 P494 M496L382-Q476 HydrophobicContact CD1-CB 4.21Å; V472-Q476 PolarHBondContact O-N 3.44Å; Q476-K478 VanDerWaalsContact C-N 3.29Å; Q476-K478 PolarHBondContact O-N 3.33Å; Q476-M479 PolarHBondContact O-N 3.22Å; Q476-V480 HydrophobicContact CG-CG2 4.2Å; Q476-V480 WeakPolarHBondContact O-CB 3.18Å; Q476-V480 WeakPolarHBondContact O-CG2 3.47Å; Q476-V480 PolarHBondContact O-N 2.98Å; Q476-P494 PolarHBondContact NE2-O 2.81Å; Q476-M496 HydrophobicContact CB-CE 4.13Å; Q476-M496 HydrophobicContact CG-CE 4.25Å
477R95.8Very high93.2Very high144 Ų14467.2 Ų67.254%0.54334%0.341SS..Hα-helixtrans-58.3-40.7178.4-75.3-173.4-66.5-1110.4112.6K473 R474 Q475 K481K473-R477 WeakPolarHBondContact O-CG 3.47Å; K473-R477 PolarHBondContact O-N 3.44Å; K473-R477 VanDerWaalsContact O-N 3.07Å; R474-R477 PolarHBondContact O-N 3.21Å; Q475-R477 PolarHBondContact O-N 3.17Å; R477-K481 WeakPolarHBondContact O-CB 3.14Å; R477-K481 PolarHBondContact O-N 2.82Å
478K97.5Very high92.5Very high144 Ų14470.4 Ų70.463%0.62636%0.363SS*.Hα-helixtrans-61.9-49.1177.2-179.5-174.4172.3-173.30111.1R474 Q475 Q476 K481 A482R474-K478 PolarHBondContact O-N 2.87Å; Q475-K478 WeakPolarHBondContact O-CB 3.44Å; Q475-K478 PolarHBondContact O-N 2.8Å; Q475-K478 VanDerWaalsContact O-N 3.15Å; Q476-K478 VanDerWaalsContact C-N 3.29Å; Q476-K478 PolarHBondContact O-N 3.33Å; K478-K481 PolarHBondContact O-N 2.83Å; K478-A482 PolarHBondContact O-N 2.85Å
479M97.1Very high91.7Very high26 Ų2672.1 Ų72.113%0.12838%0.382CS..Hα-helixtrans-69.7-39.2-177.8-64.6-174.875.900112.3L381 H444 S446 Q475 Q476 K481 A482 L483L381-M479 HydrophobicContact CB-CB 4.26Å; L381-M479 HydrophobicContact CB-CE 3.98Å; L381-M479 HydrophobicContact CB-SD 4.19Å; L381-M479 HydrophobicContact CD1-CB 3.89Å; L381-M479 HydrophobicContact CD2-CE 4.37Å; L381-M479 WeakPolarHBondContact O-CE 3.34Å; H444-M479 WeakPolarHBondContact O-CE 3.32Å; S446-M479 PolarHBondContact OG-SD 2.91Å; Q475-M479 HydrophobicContact CG-CG 4.4Å; Q475-M479 HydrophobicContact CG-SD 4.15Å; Q475-M479 WeakPolarHBondContact O-CG 3.45Å; Q475-M479 PolarHBondContact O-N 3.24Å; Q476-M479 PolarHBondContact O-N 3.22Å; M479-K481 PolarHBondContact O-N 3.34Å; M479-A482 WeakPolarHBondContact O-CB 3.45Å; M479-A482 PolarHBondContact O-N 2.82Å; M479-A482 VanDerWaalsContact O-N 3.09Å; M479-L483 PolarHBondContact O-N 3.32Å
480V94.3Very high91.2Very high21 Ų2174.8 Ų74.813%0.12739%0.394CS..Hα-helixtrans-62.7-42.6175.5172.70000111.3L381 Q476 A482 L483 G493L381-V480 HydrophobicContact CD1-CG2 3.93Å; Q476-V480 HydrophobicContact CG-CG2 4.2Å; Q476-V480 WeakPolarHBondContact O-CB 3.18Å; Q476-V480 WeakPolarHBondContact O-CG2 3.47Å; Q476-V480 PolarHBondContact O-N 2.98Å; V480-A482 PolarHBondContact O-N 2.97Å; V480-L483 WeakPolarHBondContact O-CB 3.49Å; V480-L483 PolarHBondContact O-N 3.09Å; V480-G493 VanDerWaalsContact CG2-CA 3.49Å
481K92.3Very high90.7Very high181 Ų18178.4 Ų78.479%0.78742%0.416SS*.Hα-helixtrans-59.7-35.1174.3-174.1179.7178.2-176.30111.9R477 K478 M479 L483 G484R477-K481 WeakPolarHBondContact O-CB 3.14Å; R477-K481 PolarHBondContact O-N 2.82Å; K478-K481 PolarHBondContact O-N 2.83Å; M479-K481 PolarHBondContact O-N 3.34Å; K481-L483 VanDerWaalsContact C-N 3.31Å; K481-L483 PolarHBondContact O-N 3.44Å; K481-G484 PolarHBondContact O-N 3.31Å
482A93.9Very high90.2Very high85 Ų8582.2 Ų82.270%0.70244%0.435SS*.Hα-helixtrans-71.8-21.2179.900000113.7K478 M479 V480 G484K478-A482 PolarHBondContact O-N 2.85Å; M479-A482 WeakPolarHBondContact O-CB 3.45Å; M479-A482 PolarHBondContact O-N 2.82Å; M479-A482 VanDerWaalsContact O-N 3.09Å; V480-A482 PolarHBondContact O-N 2.97Å; A482-G484 PolarHBondContact O-N 2.81Å
483L89.3Confident89.9Confident59 Ų5982.4 Ų82.431%0.30944%0.436SS..Hα-helixtrans-63.5-25.6172.5-65.7179.3000112.7L381 M479 V480 K481 W487L381-L483 HydrophobicContact CD1-CD1 3.91Å; L381-L483 HydrophobicContact CD1-CG 4.23Å; L381-L483 HydrophobicContact CD2-CD2 4.22Å; M479-L483 PolarHBondContact O-N 3.32Å; V480-L483 WeakPolarHBondContact O-CB 3.49Å; V480-L483 PolarHBondContact O-N 3.09Å; K481-L483 VanDerWaalsContact C-N 3.31Å; K481-L483 PolarHBondContact O-N 3.44Å; L483-W487 HydrophobicContact CB-CB 3.86Å; L483-W487 HydrophobicContact CD1-CB 4.03Å; L483-W487 HydrophobicContact CD1-CD2 3.81Å; L483-W487 HydrophobicContact CD1-CE3 3.96Å; L483-W487 HydrophobicContact CD1-CG 3.84Å
484G84.6Confident89.8Confident38 Ų3880.3 Ų80.339%0.39243%0.428SS..G310 helixtrans63.7-157.9176.800000113.6K481 A482 H486 W487K481-G484 PolarHBondContact O-N 3.31Å; A482-G484 PolarHBondContact O-N 2.81Å; G484-H486 PolarHBondContact O-N 2.9Å; G484-W487 PolarHBondContact O-N 2.76Å
485P78.7Confident89.8Confident122 Ų12274 Ų7479%0.79241%0.406SS*.G310 helixtrans-72.2-9.7-172.830-35.8000114.4W487P485-W487 VanDerWaalsContact C-N 3.28Å
486H76.5Confident89.9Confident168 Ų16872.9 Ų72.978%0.77840%0.4SS*.G310 helixtrans-76.6-16.6179.3-5997000112.8G484 T488G484-H486 PolarHBondContact O-N 2.9Å; H486-T488 PolarHBondContact O-N 2.98Å
487W85.6Confident90Very high68 Ų6872.2 Ų72.226%0.25840%0.397SS..  trans-76116.4175.7176.3-111.5000110.9N379 L483 G484 P485 G489 H490 P494N379-W487 HydrophobicContact CB-CZ3 4.33Å; L483-W487 HydrophobicContact CB-CB 3.86Å; L483-W487 HydrophobicContact CD1-CB 4.03Å; L483-W487 HydrophobicContact CD1-CD2 3.81Å; L483-W487 HydrophobicContact CD1-CE3 3.96Å; L483-W487 HydrophobicContact CD1-CG 3.84Å; G484-W487 PolarHBondContact O-N 2.76Å; P485-W487 VanDerWaalsContact C-N 3.28Å; W487-G489 VanDerWaalsContact CE2-CA 3.46Å; W487-G489 VanDerWaalsContact CZ2-CA 3.43Å; W487-G489 VanDerWaalsContact NE1-C 3.34Å; W487-G489 PolarHBondContact NE1-O 3.43Å; W487-H490 PolarHBondContact NE1-O 3.45Å; W487-P494 HydrophobicContact CH2-CB 3.63Å; W487-P494 HydrophobicContact CH2-CG 4.21Å; W487-P494 HydrophobicContact CZ2-CB 4.02Å; W487-P494 HydrophobicContact CZ2-CG 4.4Å; W487-P494 VanDerWaalsContact CZ2-N 3.32Å; W487-P494 HydrophobicContact CZ3-CB 4.33Å
488T79.8Confident90.1Very high140 Ų14065.3 Ų65.386%0.85937%0.371SS*.  trans-104-0.5-178.959.70000113.6H486H486-T488 PolarHBondContact O-N 2.98Å
489G79.6Confident90.2Very high39 Ų3958.5 Ų58.540%0.40234%0.341SS..SBendtrans-83.8-161.6177.100000113W487W487-G489 VanDerWaalsContact CE2-CA 3.46Å; W487-G489 VanDerWaalsContact CZ2-CA 3.43Å; W487-G489 VanDerWaalsContact NE1-C 3.34Å; W487-G489 PolarHBondContact NE1-O 3.43Å
490H87.3Confident90.2Very high67 Ų6757.5 Ų57.531%0.3134%0.337SS..  trans-56.8140.7-177.5-168.7-87.8000112.1W487 L492 G493W487-H490 PolarHBondContact NE1-O 3.45Å; H490-L492 WeakPolarHBondContact ND1-CB 3.39Å; H490-L492 PolarHBondContact ND1-N 3.34Å; H490-L492 VanDerWaalsContact ND1-N 3.13Å; H490-L492 PolarHBondContact O-N 3.05Å; H490-L492 VanDerWaalsContact O-N 3.08Å; H490-G493 WeakPolarHBondContact O-CA 3.27Å; H490-G493 PolarHBondContact O-N 3.41Å
491S85.1Confident90.3Very high97 Ų9757.2 Ų57.268%0.67834%0.336SS*.THydrogen-bonded Turntrans-61.3-23.2-174.861.20000114.5G493S491-G493 VanDerWaalsContact C-N 3.3Å
492L88.6Confident90.5Very high89 Ų8949 Ų4947%0.46630%0.302SS..THydrogen-bonded Turntrans-86.54.7173.4-59.4179.3000114Q353 H490Q353-L492 HydrophobicContact CB-CD1 4.2Å; H490-L492 WeakPolarHBondContact ND1-CB 3.39Å; H490-L492 PolarHBondContact ND1-N 3.34Å; H490-L492 VanDerWaalsContact ND1-N 3.13Å; H490-L492 PolarHBondContact O-N 3.05Å; H490-L492 VanDerWaalsContact O-N 3.08Å
493G91.6Very high90.7Very high3 Ų345 Ų453%0.03127%0.269CS..  trans100.1179.5174.800000115.6V480 H490 S491V480-G493 VanDerWaalsContact CG2-CA 3.49Å; H490-G493 WeakPolarHBondContact O-CA 3.27Å; H490-G493 PolarHBondContact O-N 3.41Å; S491-G493 VanDerWaalsContact C-N 3.3Å
494P96.3Very high91.1Very high3 Ų342.3 Ų42.32%0.01926%0.255CS..SBendtrans-65.1165.2171.427.3-33.3000111.7N379 L381 Q476 W487N379-P494 HydrophobicContact CB-CB 4.39Å; N379-P494 VanDerWaalsContact O-CB 3.3Å; N379-P494 WeakPolarHBondContact O-CB 3.46Å; N379-P494 WeakPolarHBondContact O-CG 3.34Å; L381-P494 HydrophobicContact CD1-CG 3.77Å; L381-P494 HydrophobicContact CG-CG 3.64Å; Q476-P494 PolarHBondContact NE2-O 2.81Å; W487-P494 HydrophobicContact CH2-CB 3.63Å; W487-P494 HydrophobicContact CH2-CG 4.21Å; W487-P494 HydrophobicContact CZ2-CB 4.02Å; W487-P494 HydrophobicContact CZ2-CG 4.4Å; W487-P494 VanDerWaalsContact CZ2-N 3.32Å; W487-P494 HydrophobicContact CZ3-CB 4.33Å
495P98.1Very high91.7Very high14 Ų1440.7 Ų40.79%0.09124%0.238CC..PPolyproline II helixtrans-57.3141.6177.320.9-32.2000112.4F347 N355 A356 I358 Q378F347-P495 HydrophobicContact CE1-CG 4.46Å; N355-P495 WeakPolarHBondContact O-CB 3.49Å; A356-P495 WeakPolarHBondContact O-CA 3.44Å; I358-P495 HydrophobicContact CD1-CB 3.97Å; I358-P495 HydrophobicContact CD1-CG 3.8Å; I358-P495 HydrophobicContact CG1-CB 3.86Å; I358-P495 HydrophobicContact CG1-CG 4.2Å; Q378-P495 HydrophobicContact CB-CG 4.17Å
496M98.6Very high92.6Very high8 Ų836.1 Ų36.14%0.03921%0.205CC..EExtended strand (participates in β ladder)trans-86.4129166.7-179.3-178.4-58.700109.7A356 Y357 I358 L382 V384 V472 Q476 V498 F510A356-M496 PolarHBondContact O-N 2.83Å; Y357-M496 CarbonylContact C-O 3.58Å; Y357-M496 WeakPolarHBondContact CA-O 3.23Å; Y357-M496 HydrophobicContact CD1-CB 4.39Å; I358-M496 PolarHBondContact N-O 3.5Å; L382-M496 HydrophobicContact CB-CE 4.48Å; L382-M496 HydrophobicContact CB-CG 4.3Å; L382-M496 HydrophobicContact CD1-CE 4.31Å; L382-M496 HydrophobicContact CD2-CE 4.01Å; L382-M496 HydrophobicContact CD2-CG 3.86Å; L382-M496 HydrophobicContact CD2-SD 3.84Å; L382-M496 HydrophobicContact CG-CE 4.5Å; V384-M496 HydrophobicContact CG2-CG 4Å; V384-M496 HydrophobicContact CG2-SD 3.46Å; V384-M496 WeakPolarHBondContact CG2-SD 3.43Å; V472-M496 HydrophobicContact CG1-CE 3.44Å; V472-M496 VanDerWaalsContact CG1-CE 3.44Å; V472-M496 HydrophobicContact CG1-SD 3.58Å; V472-M496 VanDerWaalsContact CG1-SD 3.58Å; Q476-M496 HydrophobicContact CB-CE 4.13Å; Q476-M496 HydrophobicContact CG-CE 4.25Å; M496-V498 HydrophobicContact CG-CG2 4Å; M496-V498 PolarHBondContact O-N 2.74Å; M496-V498 HydrophobicContact SD-CG2 4.14Å; M496-F510 HydrophobicContact SD-CE1 4.19Å
497V98.9Very high93.7Very high0 Ų028.1 Ų28.10%017%0.168CC..EExtended strand (participates in β ladder)trans-77.3125.2171.6171.30000108.1I358 T360 F371 M374 V375 V380 L382 I383 V384I358-V497 HydrophobicContact CB-CG2 4.15Å; I358-V497 HydrophobicContact CD1-CG2 4.43Å; I358-V497 HydrophobicContact CG2-CG2 4.48Å; T360-V497 HydrophobicContact CG2-CG1 3.78Å; F371-V497 HydrophobicContact CE2-CG1 3.85Å; F371-V497 HydrophobicContact CZ-CG1 3.95Å; M374-V497 HydrophobicContact CE-CG1 4.38Å; M374-V497 HydrophobicContact CE-CG2 3.99Å; V375-V497 HydrophobicContact CG2-CG2 4.34Å; V380-V497 HydrophobicContact CB-CG2 4.32Å; V380-V497 HydrophobicContact CG1-CB 4.27Å; V380-V497 HydrophobicContact CG1-CG2 3.79Å; V380-V497 HydrophobicContact CG2-CG2 3.66Å; L382-V497 PolarHBondContact O-N 3.09Å; I383-V497 CarbonylContact C-O 3.48Å; I383-V497 WeakPolarHBondContact CA-O 3.27Å; I383-V497 HydrophobicContact CG1-CB 4.22Å; I383-V497 HydrophobicContact CG2-CB 4.46Å; I383-V497 HydrophobicContact CG2-CG1 4.22Å; V384-V497 PolarHBondContact N-O 2.97Å
498V98.9Very high94.3Very high0 Ų024.9 Ų24.90%016%0.155CC..EExtended strand (participates in β ladder)trans-125.3123176.1-171.80000108.3Y357 I358 G359 T360 V384 M496 T507 F510Y357-V498 HydrophobicContact CD1-CG2 4.23Å; I358-V498 PolarHBondContact O-N 2.81Å; G359-V498 WeakPolarHBondContact CA-O 3.44Å; T360-V498 PolarHBondContact N-O 3.03Å; T360-V498 VanDerWaalsContact N-O 3.16Å; V384-V498 HydrophobicContact CB-CB 4.46Å; V384-V498 HydrophobicContact CB-CG1 4.18Å; V384-V498 HydrophobicContact CB-CG2 4.22Å; V384-V498 HydrophobicContact CG1-CG1 4.23Å; V384-V498 WeakPolarHBondContact O-CA 3.29Å; M496-V498 HydrophobicContact CG-CG2 4Å; M496-V498 PolarHBondContact O-N 2.74Å; M496-V498 HydrophobicContact SD-CG2 4.14Å; V498-T507 HydrophobicContact CB-CG2 4.09Å; V498-T507 HydrophobicContact CG1-CG2 3.89Å; V498-T507 WeakPolarHBondContact O-CG2 3.2Å; V498-F510 HydrophobicContact CG1-CB 4.41Å; V498-F510 HydrophobicContact CG1-CD1 3.78Å; V498-F510 HydrophobicContact CG1-CE1 4.43Å; V498-F510 HydrophobicContact CG1-CG 4.29Å; V498-F510 HydrophobicContact CG2-CD1 4.14Å; V498-F510 HydrophobicContact CG2-CE1 4.14Å
499H98.8Very high95.2Very high0 Ų018.2 Ų18.20%011%0.114CC..EExtended strand (participates in β ladder)trans-139.8152.8-178.283.987.5000112.8T360 V384 M385 T386 C397 Y400 T507T360-H499 HydrophobicContact CG2-CB 3.58Å; T360-H499 WeakPolarHBondContact O-CA 3.24Å; T360-H499 WeakPolarHBondContact O-CB 3.46Å; V384-H499 PolarHBondContact O-N 2.93Å; M385-H499 WeakPolarHBondContact CB-NE2 3.48Å; M385-H499 VanDerWaalsContact CG-CE1 3.41Å; M385-H499 WeakPolarHBondContact CG-CE1 3.37Å; T386-H499 PolarHBondContact N-O 3.03Å; T386-H499 PolarHBondContact OG1-O 3.02Å; C397-H499 VanDerWaalsContact SG-CE1 3.59Å; Y400-H499 AromaticContact CE1-CE1 3.76Å; Y400-H499 AromaticContact CE1-NE2 3.51Å; Y400-H499 AromaticContact CZ-NE2 3.52Å; Y400-H499 PolarHBondContact OH-NE2 3.42Å; H499-T507 VanDerWaalsContact C-OG1 3.26Å; H499-T507 WeakPolarHBondContact CA-OG1 3.41Å
500C97.1Very high96.1Very high6 Ų616.4 Ų16.44%0.04110%0.096CC..  trans-129.1-140.5169.169.80000107.9G362 T386 G503 R506 T507G362-C500 WeakPolarHBondContact CA-O 3.45Å; G362-C500 PolarHBondContact N-O 3.34Å; T386-C500 VanDerWaalsContact OG1-CB 3.27Å; T386-C500 WeakPolarHBondContact OG1-CB 3.35Å; C500-G503 PolarHBondContact SG-N 3.25Å; C500-R506 HydrophobicContact CB-CB 3.88Å; C500-R506 HydrophobicContact CB-CG 4.49Å; C500-T507 PolarHBondContact N-OG1 3Å; C500-T507 VanDerWaalsContact N-OG1 3.1Å; C500-T507 PolarHBondContact SG-OG1 3.02Å
501S97.1Very high96.6Very high15 Ų1513.2 Ų13.211%0.1058%0.081CC..SBendtrans-71.1-63.3171-163.30000111.5R318 Y319 G362 K396R318-S501 WeakPolarHBondContact CD-O 3.49Å; Y319-S501 PolarHBondContact OH-OG 3.06Å; G362-S501 PolarHBondContact N-O 2.69Å; K396-S501 WeakPolarHBondContact CA-OG 3.19Å; K396-S501 WeakPolarHBondContact O-CA 3.24Å; K396-S501 PolarHBondContact O-OG 3.36Å
502A97Very high97.3Very high9 Ų98.6 Ų8.67%0.0745%0.049CC..SBendtrans-95.7-9-177.400000113.7Y319 V322 I504 R539Y319-A502 HydrophobicContact CD2-CB 3.57Å; Y319-A502 HydrophobicContact CE2-CB 3.66Å; V322-A502 HydrophobicContact CB-CB 4.35Å; V322-A502 HydrophobicContact CG1-CB 4.07Å; V322-A502 HydrophobicContact CG2-CB 4.12Å; A502-I504 HydrophobicContact CB-CG1 3.97Å; A502-R539 PolarHBondContact O-NH2 3Å
503G97.5Very high97.7Very high0 Ų04.5 Ų4.50%03%0.027CC..SBendtrans73.626-178.200000114.9T360 C500 R539T360-G503 WeakPolarHBondContact O-CA 3.4Å; C500-G503 PolarHBondContact SG-N 3.25Å; G503-R539 PolarHBondContact O-NE 3.26Å
504I98Very high98.1Very high3 Ų34.7 Ų4.72%0.0153%0.027CC..SBendtrans-132.5-43.6-17857.2167.7000114V322 A502 G508 R539 A540 F541 S542 I543 Q544V322-I504 HydrophobicContact CG1-CD1 3.8Å; V322-I504 HydrophobicContact CG1-CG1 4.16Å; V322-I504 HydrophobicContact CG1-CG2 3.92Å; V322-I504 HydrophobicContact CG2-CD1 3.97Å; A502-I504 HydrophobicContact CB-CG1 3.97Å; I504-G508 WeakPolarHBondContact O-CA 3.28Å; I504-G508 PolarHBondContact O-N 3.02Å; I504-G508 VanDerWaalsContact O-N 3.1Å; I504-R539 HydrophobicContact CG2-CG 4.18Å; I504-A540 WeakPolarHBondContact CG2-O 3.44Å; I504-F541 HydrophobicContact CD1-CB 3.92Å; I504-S542 WeakPolarHBondContact O-CA 3.48Å; I504-I543 PolarHBondContact O-N 3.4Å; I504-Q544 HydrophobicContact CD1-CG 4.26Å
505G96.9Very high98.2Very high3 Ų34.5 Ų4.53%0.0313%0.026CC..Hα-helixtrans-72.9-86-176.800000112.6T507 G508 T509 Q548G505-T507 VanDerWaalsContact C-N 3.29Å; G505-T507 PolarHBondContact O-N 2.89Å; G505-G508 WeakPolarHBondContact O-CA 3.4Å; G505-G508 PolarHBondContact O-N 2.96Å; G505-T509 PolarHBondContact O-N 3.33Å; G505-T509 PolarHBondContact O-OG1 3.43Å; G505-Q548 VanDerWaalsContact CA-OE1 3.26Å
506R97.5Very high98.2Very high26 Ų263.9 Ų3.910%0.0982%0.022CC..Hα-helixtrans-60.2-36.4179.4-53.3-175.3179.5161.32.6113.4T386 E391 W453 P454 C500 T509 F510T386-R506 WeakPolarHBondContact O-CD 3.49Å; T386-R506 PolarHBondContact O-NH1 2.82Å; T386-R506 WeakPolarHBondContact OG1-CB 3.45Å; E391-R506 IonicContact OE1-CZ 3.02Å; E391-R506 IonicContact OE1-NH1 3.3Å; E391-R506 PolarHBondContact OE1-NH1 3.34Å; E391-R506 IonicContact OE1-NH2 3.47Å; E391-R506 IonicContact OE2-CZ 3.29Å; E391-R506 IonicContact OE2-NH1 2.91Å; E391-R506 PolarHBondContact OE2-NH1 3.48Å; E391-R506 IonicContact OE2-NH2 2.98Å; E391-R506 PolarHBondContact OE2-NH2 3.04Å; W453-R506 HydrophobicContact CD2-CB 4.29Å; W453-R506 VanDerWaalsContact CD2-CD 3.44Å; W453-R506 HydrophobicContact CD2-CG 3.76Å; W453-R506 VanDerWaalsContact CE2-CG 3.49Å; W453-R506 HydrophobicContact CE3-CB 4.14Å; W453-R506 HydrophobicContact CE3-CG 4.14Å; W453-R506 HydrophobicContact CG-CG 4.31Å; W453-R506 VanDerWaalsContact CG-NE 3.3Å; W453-R506 HydrophobicContact CH2-CB 3.98Å; W453-R506 HydrophobicContact CH2-CG 4.01Å; W453-R506 HydrophobicContact CZ2-CB 4.15Å; W453-R506 HydrophobicContact CZ2-CG 3.65Å; W453-R506 HydrophobicContact CZ3-CB 3.98Å; W453-R506 HydrophobicContact CZ3-CG 4.25Å; W453-R506 VanDerWaalsContact NE1-NE 3.2Å; P454-R506 PolarHBondContact O-NH2 3.29Å; C500-R506 HydrophobicContact CB-CB 3.88Å; C500-R506 HydrophobicContact CB-CG 4.49Å; R506-T509 PolarHBondContact O-N 3.34Å; R506-F510 WeakPolarHBondContact O-CB 3.45Å; R506-F510 PolarHBondContact O-N 3.14Å
507T98.6Very high98.2Very high0 Ų04.4 Ų4.40%03%0.025CC..Hα-helixtrans-56.7-50170.1-62.30000111.2V498 H499 C500 G505 T509 F510 C511V498-T507 HydrophobicContact CB-CG2 4.09Å; V498-T507 HydrophobicContact CG1-CG2 3.89Å; V498-T507 WeakPolarHBondContact O-CG2 3.2Å; H499-T507 VanDerWaalsContact C-OG1 3.26Å; H499-T507 WeakPolarHBondContact CA-OG1 3.41Å; C500-T507 PolarHBondContact N-OG1 3Å; C500-T507 VanDerWaalsContact N-OG1 3.1Å; C500-T507 PolarHBondContact SG-OG1 3.02Å; G505-T507 VanDerWaalsContact C-N 3.29Å; G505-T507 PolarHBondContact O-N 2.89Å; T507-T509 VanDerWaalsContact C-N 3.34Å; T507-T509 PolarHBondContact O-N 3.39Å; T507-F510 PolarHBondContact O-N 2.88Å; T507-C511 PolarHBondContact O-N 2.88Å; T507-C511 PolarHBondContact O-SG 2.85Å; T507-C511 VanDerWaalsContact O-SG 3.37Å
508G98.4Very high98.1Very high0 Ų05.6 Ų5.60%03%0.033CC..Hα-helixtrans-61.2-42.3176.700000111.9I504 G505 F510 C511 A512 M535I504-G508 WeakPolarHBondContact O-CA 3.28Å; I504-G508 PolarHBondContact O-N 3.02Å; I504-G508 VanDerWaalsContact O-N 3.1Å; G505-G508 WeakPolarHBondContact O-CA 3.4Å; G505-G508 PolarHBondContact O-N 2.96Å; G508-F510 PolarHBondContact O-N 3.13Å; G508-C511 PolarHBondContact O-N 3.22Å; G508-A512 WeakPolarHBondContact O-CB 3.45Å; G508-A512 PolarHBondContact O-N 3.24Å; G508-M535 WeakPolarHBondContact O-CE 3.33Å
509T98.4Very high97.9Very high0 Ų05.9 Ų5.90%04%0.035CC..Hα-helixtrans-63.4-45178.4-54.30000111.7W453 G505 R506 T507 A512 L513 I543 F551W453-T509 HydrophobicContact CH2-CG2 3.71Å; W453-T509 HydrophobicContact CZ3-CG2 4.42Å; G505-T509 PolarHBondContact O-N 3.33Å; G505-T509 PolarHBondContact O-OG1 3.43Å; R506-T509 PolarHBondContact O-N 3.34Å; T507-T509 VanDerWaalsContact C-N 3.34Å; T507-T509 PolarHBondContact O-N 3.39Å; T509-A512 PolarHBondContact O-N 3.09Å; T509-L513 HydrophobicContact CG2-CD1 4.11Å; T509-L513 HydrophobicContact CG2-CG 4.49Å; T509-L513 WeakPolarHBondContact O-CB 3.4Å; T509-L513 VanDerWaalsContact O-CG 3.26Å; T509-L513 WeakPolarHBondContact O-CG 3.47Å; T509-L513 PolarHBondContact O-N 3.39Å; T509-I543 VanDerWaalsContact CA-CD1 3.48Å; T509-I543 WeakPolarHBondContact OG1-CD1 3.12Å; T509-F551 HydrophobicContact CG2-CD1 3.75Å; T509-F551 HydrophobicContact CG2-CE1 4.03Å
510F98.6Very high97.7Very high2 Ų26.5 Ų6.51%0.0094%0.038CC..Hα-helixtrans-59.2-50.2177.1179.2-89.8000111.7V384 L465 F468 L469 V472 M496 V498 R506 T507 G508 L513 D514V384-F510 HydrophobicContact CG1-CD2 4.39Å; V384-F510 HydrophobicContact CG1-CE1 4.33Å; V384-F510 HydrophobicContact CG1-CE2 4.13Å; V384-F510 HydrophobicContact CG1-CZ 4.1Å; V384-F510 HydrophobicContact CG2-CE1 4.34Å; V384-F510 HydrophobicContact CG2-CZ 4.15Å; L465-F510 HydrophobicContact CD1-CD2 4.45Å; F468-F510 HydrophobicContact CD1-CD2 4.41Å; F468-F510 AromaticContact CD1-CE2 3.92Å; F468-F510 HydrophobicContact CD1-CE2 3.92Å; F468-F510 HydrophobicContact CE1-CD2 4.27Å; F468-F510 AromaticContact CE1-CE2 3.77Å; F468-F510 HydrophobicContact CE1-CE2 3.77Å; L469-F510 HydrophobicContact CB-CE2 4.16Å; L469-F510 HydrophobicContact CD1-CD2 4.48Å; L469-F510 HydrophobicContact CD1-CE1 4.08Å; L469-F510 HydrophobicContact CD1-CE2 3.68Å; L469-F510 HydrophobicContact CD1-CZ 3.45Å; L469-F510 VanDerWaalsContact CD1-CZ 3.45Å; V472-F510 HydrophobicContact CB-CZ 4.45Å; V472-F510 HydrophobicContact CG1-CZ 4.09Å; M496-F510 HydrophobicContact SD-CE1 4.19Å; V498-F510 HydrophobicContact CG1-CB 4.41Å; V498-F510 HydrophobicContact CG1-CD1 3.78Å; V498-F510 HydrophobicContact CG1-CE1 4.43Å; V498-F510 HydrophobicContact CG1-CG 4.29Å; V498-F510 HydrophobicContact CG2-CD1 4.14Å; V498-F510 HydrophobicContact CG2-CE1 4.14Å; R506-F510 WeakPolarHBondContact O-CB 3.45Å; R506-F510 PolarHBondContact O-N 3.14Å; T507-F510 PolarHBondContact O-N 2.88Å; G508-F510 PolarHBondContact O-N 3.13Å; F510-L513 PolarHBondContact O-N 3.31Å; F510-D514 PolarHBondContact O-N 2.81Å
511C98.8Very high97.4Very high0 Ų014.1 Ų14.10%07%0.073CC..Hα-helixtrans-66.6-40.4-179.7-63.40000112.2M348 Y357 T507 G508 L513 D514 I515 M535M348-C511 HydrophobicContact CE-CB 4.44Å; Y357-C511 HydrophobicContact CD2-CB 4.29Å; Y357-C511 HydrophobicContact CE2-CB 4.2Å; T507-C511 PolarHBondContact O-N 2.88Å; T507-C511 PolarHBondContact O-SG 2.85Å; T507-C511 VanDerWaalsContact O-SG 3.37Å; G508-C511 PolarHBondContact O-N 3.22Å; C511-L513 VanDerWaalsContact C-N 3.33Å; C511-L513 PolarHBondContact O-N 3.38Å; C511-D514 PolarHBondContact O-N 2.93Å; C511-I515 WeakPolarHBondContact O-CD1 3.25Å; C511-I515 WeakPolarHBondContact O-CG1 3.43Å; C511-I515 PolarHBondContact O-N 3.46Å; C511-M535 HydrophobicContact CB-CE 3.53Å
512A98.7Very high97Very high0 Ų017.6 Ų17.60%09%0.09CC..Hα-helixtrans-61.7-41.7177.700000111.8G508 T509 C516 T531 V532 M535G508-A512 WeakPolarHBondContact O-CB 3.45Å; G508-A512 PolarHBondContact O-N 3.24Å; T509-A512 PolarHBondContact O-N 3.09Å; A512-C516 WeakPolarHBondContact O-CB 3.15Å; A512-C516 PolarHBondContact O-N 2.74Å; A512-C516 PolarHBondContact O-SG 3.02Å; A512-T531 HydrophobicContact CB-CG2 4.44Å; A512-V532 HydrophobicContact CB-CG2 4.2Å; A512-M535 HydrophobicContact CB-CE 4.38Å; A512-M535 HydrophobicContact CB-SD 3.75Å
513L98.6Very high96.5Very high3 Ų320.4 Ų20.42%0.01611%0.106CC..Hα-helixtrans-64.9-45.6174.3-70175.6000111.6L465 T509 F510 C511 I515 C516 L517 F551 C552 A555 I556L465-L513 HydrophobicContact CD2-CD1 3.6Å; L465-L513 HydrophobicContact CG-CD1 4.37Å; T509-L513 HydrophobicContact CG2-CD1 4.11Å; T509-L513 HydrophobicContact CG2-CG 4.49Å; T509-L513 WeakPolarHBondContact O-CB 3.4Å; T509-L513 VanDerWaalsContact O-CG 3.26Å; T509-L513 WeakPolarHBondContact O-CG 3.47Å; T509-L513 PolarHBondContact O-N 3.39Å; F510-L513 PolarHBondContact O-N 3.31Å; C511-L513 VanDerWaalsContact C-N 3.33Å; C511-L513 PolarHBondContact O-N 3.38Å; L513-I515 VanDerWaalsContact C-N 3.33Å; L513-I515 PolarHBondContact O-N 3.01Å; L513-C516 PolarHBondContact O-N 2.87Å; L513-L517 VanDerWaalsContact O-CB 3.22Å; L513-L517 WeakPolarHBondContact O-CB 3.4Å; L513-L517 WeakPolarHBondContact O-CG 3.34Å; L513-L517 PolarHBondContact O-N 3.17Å; L513-F551 HydrophobicContact CD1-CE1 4.24Å; L513-C552 HydrophobicContact CD2-CB 4.44Å; L513-A555 HydrophobicContact CD1-CB 4.23Å; L513-A555 HydrophobicContact CD2-CB 3.64Å; L513-I556 HydrophobicContact CD2-CD1 4.41Å; L513-I556 HydrophobicContact CD2-CG1 3.98Å
514D98.6Very high96Very high6 Ų622 Ų223%0.03212%0.122CC..Hα-helixtrans-59.3-44.2177.4-17238.6000112.2Y357 L469 K473 F510 C511 S518Y357-D514 WeakPolarHBondContact CE1-OD2 3.43Å; Y357-D514 PolarHBondContact OH-OD2 3.47Å; L469-D514 HydrophobicContact CD1-CB 3.75Å; L469-D514 HydrophobicContact CD2-CB 4.23Å; K473-D514 WeakPolarHBondContact CD-OD1 3.43Å; K473-D514 WeakPolarHBondContact CE-OD1 3.25Å; K473-D514 VanDerWaalsContact NZ-CG 3.27Å; K473-D514 IonicContact NZ-OD1 3.78Å; K473-D514 PolarHBondContact NZ-OD1 2.86Å; K473-D514 IonicContact NZ-OD2 3.83Å; K473-D514 PolarHBondContact NZ-OD2 3.47Å; F510-D514 PolarHBondContact O-N 2.81Å; C511-D514 PolarHBondContact O-N 2.93Å; D514-S518 WeakPolarHBondContact O-CB 3.25Å; D514-S518 PolarHBondContact O-N 2.66Å; D514-S518 PolarHBondContact O-OG 3.43Å
515I98.8Very high95.6Very high0 Ų022.8 Ų22.80%013%0.128CC..Hα-helixtrans-63.8-52.5178.4-66.1163.2000110.6H265 Y357 C511 L513 L517 S518 Q519 T531 M535H265-I515 HydrophobicContact CB-CG2 3.94Å; Y357-I515 HydrophobicContact CE2-CD1 4.16Å; Y357-I515 HydrophobicContact CE2-CG1 4.16Å; C511-I515 WeakPolarHBondContact O-CD1 3.25Å; C511-I515 WeakPolarHBondContact O-CG1 3.43Å; C511-I515 PolarHBondContact O-N 3.46Å; L513-I515 VanDerWaalsContact C-N 3.33Å; L513-I515 PolarHBondContact O-N 3.01Å; I515-L517 PolarHBondContact O-N 3.05Å; I515-S518 PolarHBondContact O-N 3.17Å; I515-Q519 PolarHBondContact O-N 3.19Å; I515-T531 HydrophobicContact CB-CG2 3.91Å; I515-T531 HydrophobicContact CD1-CG2 4.11Å; I515-T531 HydrophobicContact CG2-CG2 3.67Å; I515-M535 HydrophobicContact CD1-CG 4.01Å; I515-M535 HydrophobicContact CD1-SD 3.9Å
516C98.5Very high95.6Very high1 Ų122.6 Ų22.61%0.00713%0.127CC..Hα-helixtrans-64-42.7-177-700000112.1A512 L513 Q519 L520 L526 I556A512-C516 WeakPolarHBondContact O-CB 3.15Å; A512-C516 PolarHBondContact O-N 2.74Å; A512-C516 PolarHBondContact O-SG 3.02Å; L513-C516 PolarHBondContact O-N 2.87Å; C516-Q519 PolarHBondContact O-N 2.87Å; C516-L520 WeakPolarHBondContact O-CB 3.49Å; C516-L520 PolarHBondContact O-N 3.38Å; C516-L526 HydrophobicContact CB-CB 4.32Å; C516-L526 HydrophobicContact CB-CD1 4.39Å; C516-I556 HydrophobicContact CB-CD1 3.55Å; C516-I556 HydrophobicContact CB-CG1 4.32Å
517L97.8Very high95.5Very high18 Ų1822.1 Ų22.19%0.09413%0.126CC..Hα-helixtrans-70.4-35.3179.3-65.2177.5000111.8I466 L469 L513 I515 L520 Q521 I556 H559I466-L517 HydrophobicContact CG1-CD1 4.44Å; L469-L517 HydrophobicContact CD2-CD1 3.9Å; L513-L517 VanDerWaalsContact O-CB 3.22Å; L513-L517 WeakPolarHBondContact O-CB 3.4Å; L513-L517 WeakPolarHBondContact O-CG 3.34Å; L513-L517 PolarHBondContact O-N 3.17Å; I515-L517 PolarHBondContact O-N 3.05Å; L517-L520 HydrophobicContact CD2-CD2 4.44Å; L517-L520 PolarHBondContact O-N 3.12Å; L517-Q521 WeakPolarHBondContact O-CB 3.46Å; L517-Q521 PolarHBondContact O-N 3.44Å; L517-I556 HydrophobicContact CD2-CG1 4.24Å; L517-H559 HydrophobicContact CD2-CB 3.98Å
518S96.9Very high95.5Very high25 Ų2522.1 Ų22.118%0.17513%0.126CC..Hα-helixtrans-64.9-41.5172.8-62.70000111.6D514 I515 Q521 D522D514-S518 WeakPolarHBondContact O-CB 3.25Å; D514-S518 PolarHBondContact O-N 2.66Å; D514-S518 PolarHBondContact O-OG 3.43Å; I515-S518 PolarHBondContact O-N 3.17Å; S518-Q521 PolarHBondContact O-N 3.17Å; S518-D522 WeakPolarHBondContact O-CB 3.19Å; S518-D522 PolarHBondContact O-N 3.38Å; S518-D522 VanDerWaalsContact O-N 3.11Å
519Q95.3Very high95.5Very high7 Ų723.8 Ų23.83%0.03313%0.134CC..Hα-helixtrans-65.7-44.4175-170.4-178.1-41.300111.7P267 Y351 I515 C516 Q521 D522 V523 S525P267-Q519 HydrophobicContact CG-CG 4.32Å; Y351-Q519 HydrophobicContact CD2-CB 3.64Å; Y351-Q519 HydrophobicContact CD2-CG 3.98Å; Y351-Q519 HydrophobicContact CE1-CB 4.41Å; Y351-Q519 HydrophobicContact CE2-CB 3.52Å; Y351-Q519 HydrophobicContact CE2-CG 3.36Å; Y351-Q519 HydrophobicContact CG-CB 4.15Å; I515-Q519 PolarHBondContact O-N 3.19Å; C516-Q519 PolarHBondContact O-N 2.87Å; Q519-Q521 VanDerWaalsContact C-N 3.28Å; Q519-Q521 PolarHBondContact O-N 3.41Å; Q519-D522 PolarHBondContact O-N 2.85Å; Q519-D522 VanDerWaalsContact O-N 3.13Å; Q519-V523 HydrophobicContact CG-CG2 3.7Å; Q519-V523 WeakPolarHBondContact O-CG2 3.18Å; Q519-V523 PolarHBondContact O-N 2.94Å; Q519-S525 CarbonylContact C-O 3.59Å; Q519-S525 WeakPolarHBondContact CG-O 3.46Å; Q519-S525 PolarHBondContact NE2-O 3.42Å
520L94.4Very high95.4Very high12 Ų1225.2 Ų25.26%0.06314%0.14CC..Hα-helixtrans-57.9-42.6176.9-178.859.1000111.3P274 C516 L517 G524 S525 L526 L565P274-L520 HydrophobicContact CG-CD1 3.75Å; C516-L520 WeakPolarHBondContact O-CB 3.49Å; C516-L520 PolarHBondContact O-N 3.38Å; L517-L520 HydrophobicContact CD2-CD2 4.44Å; L517-L520 PolarHBondContact O-N 3.12Å; L520-G524 WeakPolarHBondContact O-CA 3.41Å; L520-G524 PolarHBondContact O-N 2.99Å; L520-S525 PolarHBondContact N-O 2.95Å; L520-L526 HydrophobicContact CB-CD2 4.01Å; L520-L526 HydrophobicContact CD1-CD2 4.21Å; L520-L526 HydrophobicContact CD2-CD2 4.05Å; L520-L526 HydrophobicContact CG-CD2 4.31Å; L520-L565 HydrophobicContact CD2-CD1 4.33Å; L520-L565 HydrophobicContact CG-CD1 4.49Å
521Q91.8Very high95.4Very high166 Ų16625.4 Ų25.478%0.77614%0.141SC*.Hα-helixtrans-66.2-35.4177.3-175.217613.600112.9L517 S518 Q519L517-Q521 WeakPolarHBondContact O-CB 3.46Å; L517-Q521 PolarHBondContact O-N 3.44Å; S518-Q521 PolarHBondContact O-N 3.17Å; Q519-Q521 VanDerWaalsContact C-N 3.28Å; Q519-Q521 PolarHBondContact O-N 3.41Å
522D88.6Confident95.4Very high88 Ų8825.4 Ų25.447%0.47114%0.141SC..Hα-helixtrans-81.1-48.6-176.4-177.839000112.9Y351 K352 S518 Q519Y351-D522 HydrophobicContact CE1-CB 3.61Å; Y351-D522 VanDerWaalsContact CE1-OD2 3.24Å; Y351-D522 WeakPolarHBondContact CE1-OD2 3.3Å; Y351-D522 VanDerWaalsContact CZ-OD2 3.31Å; Y351-D522 PolarHBondContact OH-OD2 2.89Å; K352-D522 IonicContact NZ-OD2 2.81Å; K352-D522 PolarHBondContact NZ-OD2 3.34Å; S518-D522 WeakPolarHBondContact O-CB 3.19Å; S518-D522 PolarHBondContact O-N 3.38Å; S518-D522 VanDerWaalsContact O-N 3.11Å; Q519-D522 PolarHBondContact O-N 2.85Å; Q519-D522 VanDerWaalsContact O-N 3.13Å
523V85.3Confident95.3Very high68 Ų6830 Ų3041%0.41216%0.159SC..Hα-helixtrans-124.11.6-170.8-61.40000114.6P267 Q519 S525P267-V523 HydrophobicContact CB-CG2 4.21Å; P267-V523 HydrophobicContact CG-CG1 4.21Å; P267-V523 HydrophobicContact CG-CG2 3.93Å; Q519-V523 HydrophobicContact CG-CG2 3.7Å; Q519-V523 WeakPolarHBondContact O-CG2 3.18Å; Q519-V523 PolarHBondContact O-N 2.94Å; V523-S525 PolarHBondContact O-N 3.32Å
524G86.6Confident95.2Very high33 Ų3332.9 Ų32.934%0.3417%0.169SC..SBendtrans74.19.8176.600000115.1L520L520-G524 WeakPolarHBondContact O-CA 3.41Å; L520-G524 PolarHBondContact O-N 2.99Å
525S91.2Very high95.2Very high20 Ų2032.6 Ų32.614%0.1417%0.168CC..  trans-139.9161.9179.167.20000111.6A271 M272 Q519 L520 V523A271-S525 WeakPolarHBondContact CB-OG 3.2Å; M272-S525 CarbonylContact O-C 3.48Å; M272-S525 VanDerWaalsContact O-CA 3.25Å; M272-S525 WeakPolarHBondContact O-CA 2.94Å; Q519-S525 CarbonylContact C-O 3.59Å; Q519-S525 WeakPolarHBondContact CG-O 3.46Å; Q519-S525 PolarHBondContact NE2-O 3.42Å; L520-S525 PolarHBondContact N-O 2.95Å; V523-S525 PolarHBondContact O-N 3.32Å
526L96.6Very high95.1Very high0 Ų033.6 Ų33.60%017%0.172CC..BIsolated β-bridgetrans-155.7167.8178.466.695.1000111.5M272 L277 C516 L520 V528 I556M272-L526 PolarHBondContact N-O 3.1Å; M272-L526 PolarHBondContact O-N 3.21Å; L277-L526 HydrophobicContact CD1-CD1 4.22Å; L277-L526 HydrophobicContact CD2-CD1 3.99Å; L277-L526 HydrophobicContact CD2-CD2 4.4Å; C516-L526 HydrophobicContact CB-CB 4.32Å; C516-L526 HydrophobicContact CB-CD1 4.39Å; L520-L526 HydrophobicContact CB-CD2 4.01Å; L520-L526 HydrophobicContact CD1-CD2 4.21Å; L520-L526 HydrophobicContact CD2-CD2 4.05Å; L520-L526 HydrophobicContact CG-CD2 4.31Å; L526-V528 HydrophobicContact CD1-CG2 3.8Å; L526-I556 HydrophobicContact CD1-CD1 4Å; L526-I556 HydrophobicContact CD1-CG2 4.24Å; L526-I556 HydrophobicContact CD2-CD1 4.47Å; L526-I556 HydrophobicContact CD2-CG2 3.33Å; L526-I556 HydrophobicContact CG-CG2 4.41Å
527N96Very high94.9Very high15 Ų1536.1 Ų36.18%0.0819%0.187CC..  trans-145.9111.1170.6-172.9-47.8000110.1E270 F529 Q530 T531E270-N527 PolarHBondContact O-ND2 3.23Å; N527-F529 WeakPolarHBondContact OD1-CB 3.45Å; N527-F529 PolarHBondContact OD1-N 3.28Å; N527-F529 VanDerWaalsContact OD1-N 3.16Å; N527-Q530 HydrophobicContact CB-CB 4.17Å; N527-Q530 HydrophobicContact CB-CG 4.4Å; N527-Q530 PolarHBondContact OD1-N 3.15Å; N527-T531 VanDerWaalsContact O-CB 3.26Å; N527-T531 WeakPolarHBondContact O-CB 3.49Å; N527-T531 PolarHBondContact O-N 3.16Å; N527-T531 PolarHBondContact O-OG1 2.95Å
528V98.3Very high94.9Very high0 Ų036.2 Ų36.20%019%0.187CC..Hα-helixtrans-67.3-46.5-177.3-179.10000110.7L526 T531 V532 Y549 C552 Y553 I556L526-V528 HydrophobicContact CD1-CG2 3.8Å; V528-T531 PolarHBondContact O-N 3Å; V528-V532 HydrophobicContact CG1-CG2 4.36Å; V528-V532 WeakPolarHBondContact O-CG2 3.43Å; V528-V532 PolarHBondContact O-N 2.88Å; V528-Y549 HydrophobicContact CG1-CE2 3.93Å; V528-C552 HydrophobicContact CG1-CB 3.9Å; V528-Y553 HydrophobicContact CB-CD2 4.31Å; V528-Y553 HydrophobicContact CB-CE1 4.02Å; V528-Y553 HydrophobicContact CB-CE2 3.83Å; V528-Y553 HydrophobicContact CG1-CD2 4.03Å; V528-Y553 HydrophobicContact CG1-CE2 3.72Å; V528-Y553 HydrophobicContact CG2-CD1 4.1Å; V528-Y553 HydrophobicContact CG2-CD2 4.45Å; V528-Y553 HydrophobicContact CG2-CE1 3.98Å; V528-Y553 HydrophobicContact CG2-CE2 4.37Å; V528-Y553 HydrophobicContact CG2-CG 4.33Å; V528-I556 HydrophobicContact CG2-CD1 3.57Å
529F97.8Very high94.9Very high36 Ų3635.1 Ų35.116%0.15818%0.179CC..Hα-helixtrans-55.2-56.8178.3-178-98.1000112.5E292 L296 N527 T531 V532 R533 Y549E292-F529 HydrophobicContact CG-CD2 3.31Å; E292-F529 HydrophobicContact CG-CE2 3.67Å; E292-F529 HydrophobicContact CG-CG 4.33Å; L296-F529 HydrophobicContact CD1-CD2 3.97Å; L296-F529 HydrophobicContact CD1-CE2 4.19Å; L296-F529 HydrophobicContact CD2-CD2 3.85Å; L296-F529 HydrophobicContact CD2-CE1 4.41Å; L296-F529 HydrophobicContact CD2-CE2 3.48Å; L296-F529 VanDerWaalsContact CD2-CE2 3.48Å; L296-F529 HydrophobicContact CD2-CZ 3.79Å; L296-F529 HydrophobicContact CG-CD2 3.89Å; L296-F529 HydrophobicContact CG-CE2 3.59Å; L296-F529 HydrophobicContact CG-CZ 4.35Å; N527-F529 WeakPolarHBondContact OD1-CB 3.45Å; N527-F529 PolarHBondContact OD1-N 3.28Å; N527-F529 VanDerWaalsContact OD1-N 3.16Å; F529-T531 VanDerWaalsContact C-N 3.27Å; F529-T531 PolarHBondContact O-N 2.99Å; F529-V532 PolarHBondContact O-N 3.33Å; F529-R533 VanDerWaalsContact O-CB 3.23Å; F529-R533 WeakPolarHBondContact O-CB 3.31Å; F529-R533 PolarHBondContact O-N 2.94Å; F529-Y549 WeakPolarHBondContact CA-OH 3.44Å; F529-Y549 WeakPolarHBondContact CB-OH 3.19Å; F529-Y549 PolarHBondContact N-OH 3.16Å
530Q96.3Very high94.9Very high30 Ų3034.8 Ų34.814%0.1418%0.178CC..Hα-helixtrans-63.6-35-179.7-66.2-63.5-15.200111.5E270 N527 R534E270-Q530 PolarHBondContact OE2-NE2 3.25Å; N527-Q530 HydrophobicContact CB-CB 4.17Å; N527-Q530 HydrophobicContact CB-CG 4.4Å; N527-Q530 PolarHBondContact OD1-N 3.15Å; Q530-R534 VanDerWaalsContact O-CB 3.27Å; Q530-R534 WeakPolarHBondContact O-CB 3.47Å; Q530-R534 VanDerWaalsContact O-CD 3.3Å; Q530-R534 WeakPolarHBondContact O-CD 3.23Å; Q530-R534 WeakPolarHBondContact O-CG 3.43Å; Q530-R534 PolarHBondContact O-N 2.96Å
531T98.4Very high95Very high5 Ų537.5 Ų37.53%0.03119%0.189CC..Hα-helixtrans-62.5-53.2175.2-63.50000111.1H265 A512 I515 N527 V528 F529 R534 M535H265-T531 PolarHBondContact CE1-O 3.43Å; A512-T531 HydrophobicContact CB-CG2 4.44Å; I515-T531 HydrophobicContact CB-CG2 3.91Å; I515-T531 HydrophobicContact CD1-CG2 4.11Å; I515-T531 HydrophobicContact CG2-CG2 3.67Å; N527-T531 VanDerWaalsContact O-CB 3.26Å; N527-T531 WeakPolarHBondContact O-CB 3.49Å; N527-T531 PolarHBondContact O-N 3.16Å; N527-T531 PolarHBondContact O-OG1 2.95Å; V528-T531 PolarHBondContact O-N 3Å; F529-T531 VanDerWaalsContact C-N 3.27Å; F529-T531 PolarHBondContact O-N 2.99Å; T531-R534 PolarHBondContact O-N 3.23Å; T531-M535 HydrophobicContact CG2-CG 4.48Å; T531-M535 HydrophobicContact CG2-SD 3.97Å; T531-M535 VanDerWaalsContact O-CG 3.28Å; T531-M535 WeakPolarHBondContact O-CG 3.47Å; T531-M535 PolarHBondContact O-N 2.78Å
532V98.6Very high95.3Very high0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-66.1-42.4-178.51760000111.1L296 A512 V528 F529 R534 M535 R536 I543 Y549L296-V532 HydrophobicContact CD1-CB 4.16Å; L296-V532 HydrophobicContact CD1-CG1 3.9Å; A512-V532 HydrophobicContact CB-CG2 4.2Å; V528-V532 HydrophobicContact CG1-CG2 4.36Å; V528-V532 WeakPolarHBondContact O-CG2 3.43Å; V528-V532 PolarHBondContact O-N 2.88Å; F529-V532 PolarHBondContact O-N 3.33Å; V532-R534 VanDerWaalsContact C-N 3.34Å; V532-R534 PolarHBondContact O-N 2.81Å; V532-M535 PolarHBondContact O-N 3.2Å; V532-R536 HydrophobicContact CG1-CG 4.4Å; V532-R536 VanDerWaalsContact O-CG 3.25Å; V532-R536 WeakPolarHBondContact O-CG 3.29Å; V532-R536 PolarHBondContact O-N 2.99Å; V532-I543 HydrophobicContact CG1-CB 4.11Å; V532-I543 HydrophobicContact CG1-CG1 3.75Å; V532-I543 HydrophobicContact CG2-CG1 3.96Å; V532-Y549 HydrophobicContact CB-CD2 4.47Å; V532-Y549 HydrophobicContact CB-CE2 3.97Å; V532-Y549 HydrophobicContact CG1-CD2 4.36Å; V532-Y549 HydrophobicContact CG1-CE2 4.23Å; V532-Y549 HydrophobicContact CG2-CD2 4.08Å; V532-Y549 HydrophobicContact CG2-CE2 3.79Å
533R97.3Very high95.7Very high97 Ų9725.4 Ų25.437%0.36613%0.13SC..Hα-helixtrans-53.9-49.3175.2-166.6-179.5-174.7-1557.8112L296 E299 F529 R536L296-R533 HydrophobicContact CD2-CB 3.56Å; L296-R533 HydrophobicContact CD2-CG 3.83Å; E299-R533 IonicContact OE1-CZ 2.77Å; E299-R533 IonicContact OE1-NE 3.8Å; E299-R533 PolarHBondContact OE1-NE 3.36Å; E299-R533 IonicContact OE1-NH2 2.71Å; E299-R533 PolarHBondContact OE1-NH2 3.26Å; E299-R533 WeakPolarHBondContact OE2-CG 3.27Å; E299-R533 IonicContact OE2-CZ 2.78Å; E299-R533 IonicContact OE2-NE 3.31Å; E299-R533 PolarHBondContact OE2-NE 2.95Å; E299-R533 IonicContact OE2-NH2 3.97Å; F529-R533 VanDerWaalsContact O-CB 3.23Å; F529-R533 WeakPolarHBondContact O-CB 3.31Å; F529-R533 PolarHBondContact O-N 2.94Å; R533-R536 PolarHBondContact O-N 3.38Å
534R96.3Very high96.2Very high64 Ų6426.8 Ų26.824%0.24213%0.132CC..Hα-helixtrans-66.1-42.7177.3-70.9169.3-170.6-177.210.9112I264 V266 Q530 T531 V532 R536 T537I264-R534 HydrophobicContact CD1-CB 3.86Å; I264-R534 WeakPolarHBondContact CD1-O 3.49Å; I264-R534 HydrophobicContact CG1-CB 4.2Å; I264-R534 VanDerWaalsContact O-CD 3.28Å; I264-R534 WeakPolarHBondContact O-CD 3.37Å; I264-R534 PolarHBondContact O-NH1 3.28Å; V266-R534 PolarHBondContact O-NH1 3.44Å; Q530-R534 VanDerWaalsContact O-CB 3.27Å; Q530-R534 WeakPolarHBondContact O-CB 3.47Å; Q530-R534 VanDerWaalsContact O-CD 3.3Å; Q530-R534 WeakPolarHBondContact O-CD 3.23Å; Q530-R534 WeakPolarHBondContact O-CG 3.43Å; Q530-R534 PolarHBondContact O-N 2.96Å; T531-R534 PolarHBondContact O-N 3.23Å; V532-R534 VanDerWaalsContact C-N 3.34Å; V532-R534 PolarHBondContact O-N 2.81Å; R534-R536 PolarHBondContact O-N 3.43Å; R534-T537 WeakPolarHBondContact O-CB 3.37Å; R534-T537 PolarHBondContact O-N 3.18Å; R534-T537 PolarHBondContact O-OG1 3.35Å
535M98.1Very high96.7Very high0 Ų027 Ų270%013%0.127CC..Hα-helixtrans-58.1-37176.1-73.8173.264.500112.4M348 G508 C511 A512 I515 T531 V532 T537 Q538 R539M348-M535 HydrophobicContact CE-CB 4.33Å; M348-M535 HydrophobicContact CE-CE 3.44Å; M348-M535 VanDerWaalsContact CE-CE 3.44Å; M348-M535 HydrophobicContact CE-CG 4.39Å; G508-M535 WeakPolarHBondContact O-CE 3.33Å; C511-M535 HydrophobicContact CB-CE 3.53Å; A512-M535 HydrophobicContact CB-CE 4.38Å; A512-M535 HydrophobicContact CB-SD 3.75Å; I515-M535 HydrophobicContact CD1-CG 4.01Å; I515-M535 HydrophobicContact CD1-SD 3.9Å; T531-M535 HydrophobicContact CG2-CG 4.48Å; T531-M535 HydrophobicContact CG2-SD 3.97Å; T531-M535 VanDerWaalsContact O-CG 3.28Å; T531-M535 WeakPolarHBondContact O-CG 3.47Å; T531-M535 PolarHBondContact O-N 2.78Å; V532-M535 PolarHBondContact O-N 3.2Å; M535-T537 PolarHBondContact O-N 3.34Å; M535-Q538 PolarHBondContact O-N 3.15Å; M535-R539 PolarHBondContact O-N 2.68Å
536R97.9Very high97Very high21 Ų2127.2 Ų27.28%0.07913%0.127CC..Hα-helixtrans-67.7-16178.7-68.8169.273.380.7-0.1113.4L296 V532 R533 R534 Q538 A540 F541 S542 I543L296-R536 PolarHBondContact O-NE 2.97Å; L296-R536 PolarHBondContact O-NH2 3.11Å; V532-R536 HydrophobicContact CG1-CG 4.4Å; V532-R536 VanDerWaalsContact O-CG 3.25Å; V532-R536 WeakPolarHBondContact O-CG 3.29Å; V532-R536 PolarHBondContact O-N 2.99Å; R533-R536 PolarHBondContact O-N 3.38Å; R534-R536 PolarHBondContact O-N 3.43Å; R536-Q538 VanDerWaalsContact C-N 3.3Å; R536-A540 WeakPolarHBondContact O-CA 3.45Å; R536-F541 VanDerWaalsContact NH1-C 3.29Å; R536-S542 WeakPolarHBondContact CG-O 3.43Å; R536-S542 PolarHBondContact NH1-O 3.01Å; R536-I543 PolarHBondContact NH1-O 3.32Å
537T94.2Very high97.1Very high54 Ų5430.1 Ų30.133%0.33114%0.141SC..Hα-helixtrans-78.4-16.5171.877.70000113P302 L325 R534 M535P302-T537 VanDerWaalsContact CG-CB 3.45Å; P302-T537 HydrophobicContact CG-CG2 3.67Å; L325-T537 VanDerWaalsContact CD1-O 3.28Å; L325-T537 WeakPolarHBondContact CD1-O 3.39Å; R534-T537 WeakPolarHBondContact O-CB 3.37Å; R534-T537 PolarHBondContact O-N 3.18Å; R534-T537 PolarHBondContact O-OG1 3.35Å; M535-T537 PolarHBondContact O-N 3.34Å
538Q96.4Very high97.1Very high20 Ų2030.1 Ų30.19%0.09314%0.141CC..Hα-helixtrans-110.4-47.6-179.4-63.4-175.8-46.300112.5I264 T328 S346 D349 M535 R536I264-Q538 VanDerWaalsContact CD1-CD 3.41Å; I264-Q538 HydrophobicContact CD1-CG 3.75Å; T328-Q538 WeakPolarHBondContact CB-O 3.38Å; T328-Q538 HydrophobicContact CG2-CB 4.21Å; T328-Q538 HydrophobicContact CG2-CG 4.28Å; T328-Q538 PolarHBondContact OG1-O 2.68Å; S346-Q538 WeakPolarHBondContact CB-O 3.19Å; D349-Q538 PolarHBondContact OD1-NE2 3.5Å; D349-Q538 PolarHBondContact OD2-NE2 2.76Å; M535-Q538 PolarHBondContact O-N 3.15Å; R536-Q538 VanDerWaalsContact C-N 3.3Å
539R98.3Very high97.1Very high1 Ų130.1 Ų30.10%0.00414%0.141CC..SBendtrans-115.993.6170-17870.1-179.4169.33.8108.1N344 S346 M348 A502 G503 I504 M535 F541 S542N344-R539 PolarHBondContact OD1-NH1 3.34Å; N344-R539 PolarHBondContact OD1-NH2 3.09Å; S346-R539 WeakPolarHBondContact OG-CD 3.37Å; S346-R539 PolarHBondContact OG-NH1 3.12Å; M348-R539 HydrophobicContact CE-CB 3.77Å; M348-R539 HydrophobicContact CG-CB 3.77Å; M348-R539 HydrophobicContact SD-CB 3.47Å; M348-R539 WeakPolarHBondContact SD-CB 3.02Å; M348-R539 HydrophobicContact SD-CG 3.99Å; A502-R539 PolarHBondContact O-NH2 3Å; G503-R539 PolarHBondContact O-NE 3.26Å; I504-R539 HydrophobicContact CG2-CG 4.18Å; M535-R539 PolarHBondContact O-N 2.68Å; R539-F541 PolarHBondContact O-N 2.89Å; R539-S542 WeakPolarHBondContact CB-OG 3.24Å; R539-S542 WeakPolarHBondContact CG-OG 3.03Å; R539-S542 WeakPolarHBondContact O-CB 3.38Å; R539-S542 PolarHBondContact O-N 2.75Å; R539-S542 PolarHBondContact O-OG 3.49Å
540A94.1Very high97.1Very high1 Ų130.5 Ų30.51%0.00814%0.141CC..THydrogen-bonded Turntrans-48141.5-179.300000111.3P301 F305 L325 I504 R536 S542P301-A540 HydrophobicContact CB-CB 3.94Å; P301-A540 HydrophobicContact CG-CB 3.98Å; F305-A540 HydrophobicContact CE1-CB 3.88Å; F305-A540 HydrophobicContact CZ-CB 3.83Å; L325-A540 HydrophobicContact CD1-CB 4.12Å; L325-A540 HydrophobicContact CD2-CB 4.36Å; L325-A540 HydrophobicContact CG-CB 3.97Å; I504-A540 WeakPolarHBondContact CG2-O 3.44Å; R536-A540 WeakPolarHBondContact O-CA 3.45Å; A540-S542 PolarHBondContact O-N 3.39Å
541F96.6Very high97.1Very high68 Ų6829.5 Ų29.530%0.29814%0.136SC..THydrogen-bonded Turntrans65.413.3177.9-39.4-62.9000115.9P301 F305 I504 R536 R539 I543P301-F541 HydrophobicContact CG-CD1 4.27Å; P301-F541 HydrophobicContact CG-CE1 3.54Å; P301-F541 HydrophobicContact CG-CZ 3.69Å; F305-F541 HydrophobicContact CE1-CE2 4.26Å; F305-F541 AromaticContact CZ-CE2 3.97Å; F305-F541 HydrophobicContact CZ-CE2 3.97Å; F305-F541 HydrophobicContact CZ-CZ 4.05Å; I504-F541 HydrophobicContact CD1-CB 3.92Å; R536-F541 VanDerWaalsContact NH1-C 3.29Å; R539-F541 PolarHBondContact O-N 2.89Å; F541-I543 PolarHBondContact O-N 3.43Å
542S98.3Very high97.1Very high0 Ų029.3 Ų29.30%014%0.135CC..  trans-52.9136.3171.9-71.70000111.7I504 R536 R539 A540I504-S542 WeakPolarHBondContact O-CA 3.48Å; R536-S542 WeakPolarHBondContact CG-O 3.43Å; R536-S542 PolarHBondContact NH1-O 3.01Å; R539-S542 WeakPolarHBondContact CB-OG 3.24Å; R539-S542 WeakPolarHBondContact CG-OG 3.03Å; R539-S542 WeakPolarHBondContact O-CB 3.38Å; R539-S542 PolarHBondContact O-N 2.75Å; R539-S542 PolarHBondContact O-OG 3.49Å; A540-S542 PolarHBondContact O-N 3.39Å
543I97.8Very high97Very high0 Ų029.3 Ų29.30%014%0.135CC..SBendtrans62.4110.3-162.3-51.1-65.9000110.6Y293 I504 T509 V532 R536 F541 Q548 Y549Y293-I543 HydrophobicContact CD2-CG2 4.31Å; Y293-I543 HydrophobicContact CE2-CG2 3.97Å; Y293-I543 PolarHBondContact OH-O 3.42Å; I504-I543 PolarHBondContact O-N 3.4Å; T509-I543 VanDerWaalsContact CA-CD1 3.48Å; T509-I543 WeakPolarHBondContact OG1-CD1 3.12Å; V532-I543 HydrophobicContact CG1-CB 4.11Å; V532-I543 HydrophobicContact CG1-CG1 3.75Å; V532-I543 HydrophobicContact CG2-CG1 3.96Å; R536-I543 PolarHBondContact NH1-O 3.32Å; F541-I543 PolarHBondContact O-N 3.43Å; I543-Q548 HydrophobicContact CG2-CB 3.87Å; I543-Y549 HydrophobicContact CG2-CD2 4.29Å
544Q95.8Very high96.9Very high97 Ų9727 Ų2745%0.45313%0.13SC..  trans-99.2-21.2-168.3-166.217941.800113.4Y293 I504Y293-Q544 PolarHBondContact OH-O 3.26Å; I504-Q544 HydrophobicContact CD1-CG 4.26Å
545T97.3Very high96.8Very high39 Ų3924 Ų2424%0.23912%0.119CC..SBendtrans-136153-177.9870000111.5Y293 E547 Q548 Y549Y293-T545 PolarHBondContact OH-N 3.32Å; T545-E547 WeakPolarHBondContact CB-OE2 3.24Å; T545-E547 PolarHBondContact O-N 2.87Å; T545-E547 PolarHBondContact OG1-N 3.29Å; T545-E547 PolarHBondContact OG1-OE2 2.99Å; T545-Q548 WeakPolarHBondContact O-CB 3.32Å; T545-Q548 PolarHBondContact O-N 3.35Å; T545-Q548 VanDerWaalsContact O-N 3.14Å; T545-Q548 PolarHBondContact OG1-N 3.21Å; T545-Y549 PolarHBondContact O-N 3.15Å
546P97.6Very high96.8Very high23 Ų2324.1 Ų24.115%0.14912%0.119CC..Hα-helixtrans-63.2-26.8176.525.5-34000112.6Y290 Y293 Y549 Y550Y290-P546 HydrophobicContact CD1-CB 3.79Å; Y290-P546 HydrophobicContact CD2-CB 3.56Å; Y290-P546 HydrophobicContact CD2-CG 3.68Å; Y290-P546 HydrophobicContact CE1-CB 3.95Å; Y290-P546 HydrophobicContact CE2-CB 3.7Å; Y290-P546 HydrophobicContact CE2-CG 3.58Å; Y290-P546 HydrophobicContact CG-CB 3.59Å; Y290-P546 HydrophobicContact CG-CG 4.25Å; Y293-P546 HydrophobicContact CD1-CB 3.68Å; Y293-P546 HydrophobicContact CD1-CG 4.21Å; Y293-P546 HydrophobicContact CE1-CB 4.36Å; Y293-P546 HydrophobicContact CG-CB 4.05Å; P546-Y549 PolarHBondContact O-N 3.06Å; P546-Y550 WeakPolarHBondContact O-CB 3.48Å; P546-Y550 PolarHBondContact O-N 3.35Å
547E97.1Very high96.6Very high61 Ų6123.6 Ų23.629%0.28512%0.118SC..Hα-helixtrans-62.5-43.3173.4-63.162.7-138.700111.3Y290 V458 T545 Y549 F551Y290-E547 WeakPolarHBondContact CE2-OE1 3.31Å; Y290-E547 VanDerWaalsContact OH-CD 3.25Å; Y290-E547 VanDerWaalsContact OH-CG 3.3Å; Y290-E547 WeakPolarHBondContact OH-CG 3.29Å; Y290-E547 PolarHBondContact OH-OE1 2.94Å; V458-E547 HydrophobicContact CG1-CB 4.14Å; T545-E547 WeakPolarHBondContact CB-OE2 3.24Å; T545-E547 PolarHBondContact O-N 2.87Å; T545-E547 PolarHBondContact OG1-N 3.29Å; T545-E547 PolarHBondContact OG1-OE2 2.99Å; E547-Y549 VanDerWaalsContact C-N 3.3Å; E547-Y549 PolarHBondContact O-N 3.38Å; E547-F551 WeakPolarHBondContact O-CB 3.37Å; E547-F551 PolarHBondContact O-N 2.61Å
548Q97.3Very high96.5Very high16 Ų1623.2 Ų23.28%0.07511%0.113CC..Hα-helixtrans-65-37.8176.7-69.8170.6-200111.3V458 G505 I543 T545 C552V458-Q548 HydrophobicContact CG1-CB 4.45Å; V458-Q548 HydrophobicContact CG1-CG 3.94Å; G505-Q548 VanDerWaalsContact CA-OE1 3.26Å; I543-Q548 HydrophobicContact CG2-CB 3.87Å; T545-Q548 WeakPolarHBondContact O-CB 3.32Å; T545-Q548 PolarHBondContact O-N 3.35Å; T545-Q548 VanDerWaalsContact O-N 3.14Å; T545-Q548 PolarHBondContact OG1-N 3.21Å; Q548-C552 PolarHBondContact O-N 3Å; Q548-C552 PolarHBondContact O-SG 2.96Å
549Y98.3Very high96.4Very high0 Ų024.1 Ų24.10%012%0.117CC..Hα-helixtrans-66.8-50.9177.1-169.2-113000111.8V289 E292 Y293 L296 V528 F529 V532 I543 T545 P546 E547 F551 C552 Y553V289-Y549 HydrophobicContact CG1-CD1 3.62Å; V289-Y549 HydrophobicContact CG1-CE1 3.89Å; E292-Y549 HydrophobicContact CB-CE1 4.29Å; E292-Y549 HydrophobicContact CG-CE1 4.03Å; E292-Y549 VanDerWaalsContact OE1-CE1 3.29Å; E292-Y549 WeakPolarHBondContact OE1-CE1 3.42Å; E292-Y549 VanDerWaalsContact OE1-CZ 3.28Å; E292-Y549 PolarHBondContact OE1-OH 3.34Å; Y293-Y549 HydrophobicContact CD2-CD1 4.5Å; Y293-Y549 HydrophobicContact CD2-CD2 4.38Å; Y293-Y549 AromaticContact CD2-CG 3.98Å; Y293-Y549 HydrophobicContact CD2-CG 3.98Å; Y293-Y549 HydrophobicContact CG-CG 4.41Å; L296-Y549 HydrophobicContact CD1-CD2 4.27Å; L296-Y549 HydrophobicContact CD1-CE2 3.57Å; V528-Y549 HydrophobicContact CG1-CE2 3.93Å; F529-Y549 WeakPolarHBondContact CA-OH 3.44Å; F529-Y549 WeakPolarHBondContact CB-OH 3.19Å; F529-Y549 PolarHBondContact N-OH 3.16Å; V532-Y549 HydrophobicContact CB-CD2 4.47Å; V532-Y549 HydrophobicContact CB-CE2 3.97Å; V532-Y549 HydrophobicContact CG1-CD2 4.36Å; V532-Y549 HydrophobicContact CG1-CE2 4.23Å; V532-Y549 HydrophobicContact CG2-CD2 4.08Å; V532-Y549 HydrophobicContact CG2-CE2 3.79Å; I543-Y549 HydrophobicContact CG2-CD2 4.29Å; T545-Y549 PolarHBondContact O-N 3.15Å; P546-Y549 PolarHBondContact O-N 3.06Å; E547-Y549 VanDerWaalsContact C-N 3.3Å; E547-Y549 PolarHBondContact O-N 3.38Å; Y549-F551 VanDerWaalsContact C-N 3.28Å; Y549-F551 PolarHBondContact O-N 3.48Å; Y549-C552 VanDerWaalsContact O-CB 3.31Å; Y549-C552 WeakPolarHBondContact O-CB 3.45Å; Y549-C552 PolarHBondContact O-N 2.99Å; Y549-Y553 HydrophobicContact CD1-CE2 4.31Å; Y549-Y553 AromaticContact CE1-CE2 3.69Å; Y549-Y553 HydrophobicContact CE1-CE2 3.69Å; Y549-Y553 AromaticContact CZ-CE2 3.82Å
550Y97.3Very high96.1Very high44 Ų4424.1 Ų24.117%0.17312%0.117CC..Hα-helixtrans-60.1-37.7175.1-176.1-111000112.3L281 R286 V289 Y290 P546 C552 Y553 N554L281-Y550 HydrophobicContact CD1-CD2 4.31Å; L281-Y550 HydrophobicContact CD1-CE2 3.8Å; R286-Y550 HydrophobicContact CB-CE2 4.15Å; R286-Y550 HydrophobicContact CG-CD1 4.46Å; R286-Y550 HydrophobicContact CG-CD2 4.39Å; R286-Y550 HydrophobicContact CG-CE1 4.33Å; R286-Y550 HydrophobicContact CG-CE2 4.26Å; V289-Y550 HydrophobicContact CB-CD2 3.89Å; V289-Y550 HydrophobicContact CG1-CD2 3.83Å; V289-Y550 HydrophobicContact CG1-CG 4.49Å; V289-Y550 HydrophobicContact CG2-CD2 4.1Å; V289-Y550 HydrophobicContact CG2-CE2 4.44Å; Y290-Y550 HydrophobicContact CE1-CG 4.37Å; P546-Y550 WeakPolarHBondContact O-CB 3.48Å; P546-Y550 PolarHBondContact O-N 3.35Å; Y550-C552 VanDerWaalsContact C-N 3.27Å; Y550-C552 PolarHBondContact O-N 3.41Å; Y550-Y553 WeakPolarHBondContact O-CB 3.14Å; Y550-Y553 PolarHBondContact O-N 2.79Å; Y550-N554 WeakPolarHBondContact CD1-ND2 3.48Å; Y550-N554 WeakPolarHBondContact CE1-ND2 3.45Å; Y550-N554 PolarHBondContact O-N 3.46Å; Y550-N554 PolarHBondContact O-ND2 3.06Å
551F96.8Very high95.9Very high9 Ų925.8 Ų25.84%0.03913%0.125CC..Hα-helixtrans-60.6-34.5174.6177.3-98.1000112.7V458 P459 A462 L465 T509 L513 E547 Y549 Y553 N554 A555V458-F551 HydrophobicContact CB-CB 4.03Å; V458-F551 HydrophobicContact CB-CD2 3.94Å; V458-F551 HydrophobicContact CB-CG 3.96Å; V458-F551 HydrophobicContact CG1-CB 3.92Å; V458-F551 HydrophobicContact CG1-CG 4.22Å; V458-F551 HydrophobicContact CG2-CB 4.08Å; V458-F551 HydrophobicContact CG2-CD2 4.03Å; V458-F551 HydrophobicContact CG2-CG 4.28Å; P459-F551 HydrophobicContact CB-CE2 4.06Å; P459-F551 HydrophobicContact CB-CZ 4.16Å; P459-F551 HydrophobicContact CG-CE2 4.38Å; P459-F551 HydrophobicContact CG-CZ 4.11Å; P459-F551 VanDerWaalsContact O-CE2 3.26Å; P459-F551 WeakPolarHBondContact O-CE2 3.4Å; A462-F551 HydrophobicContact CB-CE2 4.07Å; A462-F551 HydrophobicContact CB-CZ 3.8Å; L465-F551 HydrophobicContact CD2-CE1 3.7Å; L465-F551 HydrophobicContact CD2-CZ 4.11Å; T509-F551 HydrophobicContact CG2-CD1 3.75Å; T509-F551 HydrophobicContact CG2-CE1 4.03Å; L513-F551 HydrophobicContact CD1-CE1 4.24Å; E547-F551 WeakPolarHBondContact O-CB 3.37Å; E547-F551 PolarHBondContact O-N 2.61Å; Y549-F551 VanDerWaalsContact C-N 3.28Å; Y549-F551 PolarHBondContact O-N 3.48Å; F551-Y553 VanDerWaalsContact C-N 3.34Å; F551-Y553 PolarHBondContact O-N 3.36Å; F551-N554 PolarHBondContact O-N 2.91Å; F551-A555 HydrophobicContact CE1-CB 4.34Å; F551-A555 HydrophobicContact CZ-CB 4.43Å; F551-A555 WeakPolarHBondContact O-CB 3.41Å; F551-A555 PolarHBondContact O-N 3.46Å
552C97.9Very high95.6Very high1 Ų128 Ų281%0.00713%0.131CC..Hα-helixtrans-59.6-44.7175.7-640000111.6L513 V528 Q548 Y549 Y550 I556L513-C552 HydrophobicContact CD2-CB 4.44Å; V528-C552 HydrophobicContact CG1-CB 3.9Å; Q548-C552 PolarHBondContact O-N 3Å; Q548-C552 PolarHBondContact O-SG 2.96Å; Y549-C552 VanDerWaalsContact O-CB 3.31Å; Y549-C552 WeakPolarHBondContact O-CB 3.45Å; Y549-C552 PolarHBondContact O-N 2.99Å; Y550-C552 VanDerWaalsContact C-N 3.27Å; Y550-C552 PolarHBondContact O-N 3.41Å; C552-I556 WeakPolarHBondContact O-CD1 3.29Å; C552-I556 VanDerWaalsContact O-CG1 3.24Å; C552-I556 WeakPolarHBondContact O-CG1 3.44Å; C552-I556 PolarHBondContact O-N 2.91Å
553Y97.1Very high95.2Very high0 Ų033.7 Ų33.70%016%0.158CC..Hα-helixtrans-60.3-51.5175.9-79.4-86.4000111.9L277 L281 V289 E292 V528 Y549 Y550 F551 A555 I556 L557L277-Y553 HydrophobicContact CD1-CD1 3.68Å; L277-Y553 HydrophobicContact CD1-CE1 3.57Å; L277-Y553 HydrophobicContact CG-CD1 4.3Å; L281-Y553 HydrophobicContact CD1-CG 4.37Å; V289-Y553 HydrophobicContact CG1-CD2 3.95Å; V289-Y553 HydrophobicContact CG1-CE2 4.02Å; E292-Y553 PolarHBondContact OE1-OH 2.89Å; V528-Y553 HydrophobicContact CB-CD2 4.31Å; V528-Y553 HydrophobicContact CB-CE1 4.02Å; V528-Y553 HydrophobicContact CB-CE2 3.83Å; V528-Y553 HydrophobicContact CG1-CD2 4.03Å; V528-Y553 HydrophobicContact CG1-CE2 3.72Å; V528-Y553 HydrophobicContact CG2-CD1 4.1Å; V528-Y553 HydrophobicContact CG2-CD2 4.45Å; V528-Y553 HydrophobicContact CG2-CE1 3.98Å; V528-Y553 HydrophobicContact CG2-CE2 4.37Å; V528-Y553 HydrophobicContact CG2-CG 4.33Å; Y549-Y553 HydrophobicContact CD1-CE2 4.31Å; Y549-Y553 AromaticContact CE1-CE2 3.69Å; Y549-Y553 HydrophobicContact CE1-CE2 3.69Å; Y549-Y553 AromaticContact CZ-CE2 3.82Å; Y550-Y553 WeakPolarHBondContact O-CB 3.14Å; Y550-Y553 PolarHBondContact O-N 2.79Å; F551-Y553 VanDerWaalsContact C-N 3.34Å; F551-Y553 PolarHBondContact O-N 3.36Å; Y553-A555 PolarHBondContact O-N 3.37Å; Y553-I556 PolarHBondContact O-N 2.94Å; Y553-L557 WeakPolarHBondContact O-CG 3.5Å; Y553-L557 PolarHBondContact O-N 3.22Å; Y553-L557 VanDerWaalsContact O-N 3.09Å
554N94.5Very high94.8Very high49 Ų4936.6 Ų36.626%0.26219%0.188SC..Hα-helixtrans-62.4-42.7-178.7-68.2-40.8000112.2Y550 F551 I556 L557 E558Y550-N554 WeakPolarHBondContact CD1-ND2 3.48Å; Y550-N554 WeakPolarHBondContact CE1-ND2 3.45Å; Y550-N554 PolarHBondContact O-N 3.46Å; Y550-N554 PolarHBondContact O-ND2 3.06Å; F551-N554 PolarHBondContact O-N 2.91Å; N554-I556 VanDerWaalsContact C-N 3.31Å; N554-I556 PolarHBondContact O-N 3.4Å; N554-L557 PolarHBondContact O-N 3.27Å; N554-E558 WeakPolarHBondContact O-CB 3.2Å; N554-E558 PolarHBondContact O-N 2.66Å
555A95.4Very high94.4Very high0 Ų035.7 Ų35.70%019%0.186CC..Hα-helixtrans-59.7-42.217900000112.3A462 I466 L513 F551 Y553 H559A462-A555 HydrophobicContact CB-CB 3.25Å; I466-A555 WeakPolarHBondContact CD1-O 3.17Å; L513-A555 HydrophobicContact CD1-CB 4.23Å; L513-A555 HydrophobicContact CD2-CB 3.64Å; F551-A555 HydrophobicContact CE1-CB 4.34Å; F551-A555 HydrophobicContact CZ-CB 4.43Å; F551-A555 WeakPolarHBondContact O-CB 3.41Å; F551-A555 PolarHBondContact O-N 3.46Å; Y553-A555 PolarHBondContact O-N 3.37Å; A555-H559 WeakPolarHBondContact O-CB 3.33Å; A555-H559 PolarHBondContact O-N 2.88Å
556I96.4Very high94Very high2 Ų234.2 Ų34.21%0.0118%0.176CC..Hα-helixtrans-66.9-41.7178.1-71.2165.4000111.2L277 L513 C516 L517 L526 V528 C552 Y553 N554 H559 A560L277-I556 HydrophobicContact CD2-CB 4.34Å; L277-I556 HydrophobicContact CD2-CG2 3.55Å; L513-I556 HydrophobicContact CD2-CD1 4.41Å; L513-I556 HydrophobicContact CD2-CG1 3.98Å; C516-I556 HydrophobicContact CB-CD1 3.55Å; C516-I556 HydrophobicContact CB-CG1 4.32Å; L517-I556 HydrophobicContact CD2-CG1 4.24Å; L526-I556 HydrophobicContact CD1-CD1 4Å; L526-I556 HydrophobicContact CD1-CG2 4.24Å; L526-I556 HydrophobicContact CD2-CD1 4.47Å; L526-I556 HydrophobicContact CD2-CG2 3.33Å; L526-I556 HydrophobicContact CG-CG2 4.41Å; V528-I556 HydrophobicContact CG2-CD1 3.57Å; C552-I556 WeakPolarHBondContact O-CD1 3.29Å; C552-I556 VanDerWaalsContact O-CG1 3.24Å; C552-I556 WeakPolarHBondContact O-CG1 3.44Å; C552-I556 PolarHBondContact O-N 2.91Å; Y553-I556 PolarHBondContact O-N 2.94Å; N554-I556 VanDerWaalsContact C-N 3.31Å; N554-I556 PolarHBondContact O-N 3.4Å; I556-H559 WeakPolarHBondContact O-CB 3.38Å; I556-H559 PolarHBondContact O-N 2.72Å; I556-A560 WeakPolarHBondContact O-CB 3.5Å; I556-A560 PolarHBondContact O-N 3.15Å
557L94.7Very high93.1Very high11 Ų1136.6 Ų36.66%0.05819%0.192CC..Hα-helixtrans-67.6-41.9177.5-69174.4000112L277 L278 L281 Y553 N554 H559 A560 Q561 L566L277-L557 HydrophobicContact CB-CD2 4.31Å; L277-L557 HydrophobicContact CD2-CD2 3.89Å; L277-L557 HydrophobicContact CD2-CG 4.19Å; L277-L557 HydrophobicContact CG-CD2 4.16Å; L278-L557 HydrophobicContact CB-CD2 4Å; L278-L557 HydrophobicContact CD1-CD1 4.07Å; L278-L557 HydrophobicContact CD1-CD2 4.43Å; L281-L557 HydrophobicContact CB-CD1 4.39Å; L281-L557 HydrophobicContact CD2-CD1 3.33Å; L281-L557 HydrophobicContact CG-CD1 4.48Å; Y553-L557 WeakPolarHBondContact O-CG 3.5Å; Y553-L557 PolarHBondContact O-N 3.22Å; Y553-L557 VanDerWaalsContact O-N 3.09Å; N554-L557 PolarHBondContact O-N 3.27Å; L557-H559 VanDerWaalsContact C-N 3.31Å; L557-H559 PolarHBondContact O-N 3.33Å; L557-A560 PolarHBondContact O-N 2.93Å; L557-Q561 WeakPolarHBondContact O-CG 3.44Å; L557-Q561 PolarHBondContact O-N 3.14Å; L557-L566 HydrophobicContact CD2-CD1 3.71Å
558E92.1Very high91.6Very high46 Ų4638.5 Ų38.522%0.21521%0.212CC..Hα-helixtrans-60.8-41.3173.7-173.1177.3-172.200110.8S461 A462 V463 N554 R562S461-E558 PolarHBondContact OG-OE1 3.02Å; A462-E558 VanDerWaalsContact CB-OE2 3.3Å; A462-E558 WeakPolarHBondContact CB-OE2 3.24Å; A462-E558 PolarHBondContact N-OE2 3.32Å; V463-E558 HydrophobicContact CG2-CG 4.42Å; V463-E558 WeakPolarHBondContact CG2-OE1 3.16Å; N554-E558 WeakPolarHBondContact O-CB 3.2Å; N554-E558 PolarHBondContact O-N 2.66Å; E558-R562 WeakPolarHBondContact O-CG 3.14Å; E558-R562 PolarHBondContact O-N 3.01Å
559H93.2Very high89.7Confident38 Ų3845 Ų4518%0.17625%0.247CC..Hα-helixtrans-61.4-49.1172-175.479.5000112.1I466 L517 A555 I556 L557 Q561 R562 Q563I466-H559 HydrophobicContact CD1-CB 3.85Å; I466-H559 WeakPolarHBondContact CG2-ND1 3.26Å; L517-H559 HydrophobicContact CD2-CB 3.98Å; A555-H559 WeakPolarHBondContact O-CB 3.33Å; A555-H559 PolarHBondContact O-N 2.88Å; I556-H559 WeakPolarHBondContact O-CB 3.38Å; I556-H559 PolarHBondContact O-N 2.72Å; L557-H559 VanDerWaalsContact C-N 3.31Å; L557-H559 PolarHBondContact O-N 3.33Å; H559-Q561 VanDerWaalsContact C-N 3.3Å; H559-Q561 PolarHBondContact O-N 3.45Å; H559-R562 PolarHBondContact O-N 3.12Å; H559-R562 VanDerWaalsContact O-N 3.15Å; H559-Q563 WeakPolarHBondContact O-CG 3.28Å; H559-Q563 PolarHBondContact O-N 3.29Å
560A92.5Very high87.6Confident1 Ų150 Ų501%0.00827%0.27CS..Hα-helixtrans-60.9-39.5-178.700000111.9P274 I556 L557 Q563 G564 L565 L566P274-A560 HydrophobicContact CB-CB 4.04Å; P274-A560 HydrophobicContact CG-CB 4.32Å; I556-A560 WeakPolarHBondContact O-CB 3.5Å; I556-A560 PolarHBondContact O-N 3.15Å; L557-A560 PolarHBondContact O-N 2.93Å; A560-Q563 PolarHBondContact O-N 3.31Å; A560-G564 PolarHBondContact O-N 3.39Å; A560-L565 HydrophobicContact CB-CB 4.17Å; A560-L565 HydrophobicContact CB-CD1 4.46Å; A560-L565 WeakPolarHBondContact O-CB 3.29Å; A560-L565 PolarHBondContact O-N 3.4Å; A560-L566 HydrophobicContact CB-CD1 3.92Å; A560-L566 HydrophobicContact CB-CG 4.2Å
561Q90.6Very high85.3Confident36 Ų3653.5 Ų53.517%0.16829%0.291CS..Hα-helixtrans-62.1-48172.2-74.8174.6-16.300111.9L557 H559 Q563 G564 L566L557-Q561 WeakPolarHBondContact O-CG 3.44Å; L557-Q561 PolarHBondContact O-N 3.14Å; H559-Q561 VanDerWaalsContact C-N 3.3Å; H559-Q561 PolarHBondContact O-N 3.45Å; Q561-Q563 PolarHBondContact O-N 2.94Å; Q561-G564 PolarHBondContact O-N 3.08Å; Q561-L566 HydrophobicContact CG-CB 3.73Å; Q561-L566 HydrophobicContact CG-CD1 4.25Å
562R90.1Very high83Confident115 Ų11557.2 Ų57.243%0.43431%0.311SS..Hα-helixtrans-59.4-30.2177.1-74.8176.368-164.12.6113.1D467 E558 H559 G564D467-R562 IonicContact OD1-CZ 3.86Å; D467-R562 IonicContact OD1-NH1 2.68Å; D467-R562 PolarHBondContact OD1-NH1 2.86Å; D467-R562 IonicContact OD1-NH2 3.35Å; D467-R562 PolarHBondContact OD1-NH2 2.79Å; D467-R562 IonicContact OD2-NH2 3.86Å; E558-R562 WeakPolarHBondContact O-CG 3.14Å; E558-R562 PolarHBondContact O-N 3.01Å; H559-R562 PolarHBondContact O-N 3.12Å; H559-R562 VanDerWaalsContact O-N 3.15Å; R562-G564 VanDerWaalsContact C-N 3.32Å
563Q89.7Confident80.3Confident119 Ų11962.2 Ų62.256%0.55634%0.342SS*.THydrogen-bonded Turntrans-86.32.5176.3-63.2-57.1-50.700113.7H559 A560 Q561 L565H559-Q563 WeakPolarHBondContact O-CG 3.28Å; H559-Q563 PolarHBondContact O-N 3.29Å; A560-Q563 PolarHBondContact O-N 3.31Å; Q561-Q563 PolarHBondContact O-N 2.94Å; Q563-L565 HydrophobicContact CB-CD1 4.24Å; Q563-L565 HydrophobicContact CB-CG 4.04Å; Q563-L565 PolarHBondContact O-N 2.93Å
564G89.6Confident77.5Confident62 Ų6267.9 Ų67.964%0.63938%0.378SS*.THydrogen-bonded Turntrans70.815.5-17800000114.3A560 Q561 R562 L566A560-G564 PolarHBondContact O-N 3.39Å; Q561-G564 PolarHBondContact O-N 3.08Å; R562-G564 VanDerWaalsContact C-N 3.32Å; G564-L566 VanDerWaalsContact C-N 3.3Å
565L87.6Confident74.5Confident78 Ų7872.9 Ų72.941%0.40840%0.4SS..SBendtrans-79.7-15176.4-57.2176.5000112.2P274 Q275 L520 A560 Q563P274-L565 HydrophobicContact CG-CB 4.25Å; P274-L565 HydrophobicContact CG-CD1 4.34Å; Q275-L565 PolarHBondContact NE2-O 3.38Å; L520-L565 HydrophobicContact CD2-CD1 4.33Å; L520-L565 HydrophobicContact CG-CD1 4.49Å; A560-L565 HydrophobicContact CB-CB 4.17Å; A560-L565 HydrophobicContact CB-CD1 4.46Å; A560-L565 WeakPolarHBondContact O-CB 3.29Å; A560-L565 PolarHBondContact O-N 3.4Å; Q563-L565 HydrophobicContact CB-CD1 4.24Å; Q563-L565 HydrophobicContact CB-CG 4.04Å; Q563-L565 PolarHBondContact O-N 2.93Å
566L87.8Confident71.3Confident8 Ų878.9 Ų78.94%0.04244%0.44CS..SBendtrans-133.3149.5175.9-71.6175.3000110.4P274 Q275 L278 L557 A560 Q561 G564P274-L566 HydrophobicContact CB-CD1 4.17Å; P274-L566 HydrophobicContact CB-CD2 3.98Å; P274-L566 HydrophobicContact CB-CG 3.9Å; Q275-L566 HydrophobicContact CG-CD2 3.95Å; L278-L566 HydrophobicContact CD2-CD2 4.29Å; L557-L566 HydrophobicContact CD2-CD1 3.71Å; A560-L566 HydrophobicContact CB-CD1 3.92Å; A560-L566 HydrophobicContact CB-CG 4.2Å; Q561-L566 HydrophobicContact CG-CB 3.73Å; Q561-L566 HydrophobicContact CG-CD1 4.25Å; G564-L566 VanDerWaalsContact C-N 3.3Å
567P78.3Confident68.7Low73 Ų7381.5 Ų81.547%0.47447%0.467SS..  trans-65.3144.1175.1-12.625.1000112.1N569P567-N569 PolarHBondContact O-N 2.89Å; P567-N569 VanDerWaalsContact O-N 3.12Å
568S66.6Low65.8Low101 Ų10196.1 Ų96.171%0.70652%0.521SS*.THydrogen-bonded Turntrans-64.6-15-178.7-46.20000114.9H570S568-H570 PolarHBondContact O-N 3.46Å
569N57.8Low64.5Low152 Ų15298.6 Ų98.681%0.81354%0.537SS*.THydrogen-bonded Turntrans-88.57.7-173-70.6-0.4000114.8P567P567-N569 PolarHBondContact O-N 2.89Å; P567-N569 VanDerWaalsContact O-N 3.12Å
570H53.8Low63Low104 Ų104101.8 Ų101.848%0.48156%0.556SS.*  trans-11330.9-172.7-72.2-62.4000115.2L278 S568 L572L278-H570 HydrophobicContact CD2-CB 4.01Å; S568-H570 PolarHBondContact O-N 3.46Å; H570-L572 PolarHBondContact O-N 3.12Å
571L48.5Very low61.3Low119 Ų119107.4 Ų107.462%0.62359%0.586SS**  trans-66.5123.8164.1-75.7168.2000108.9T573L571-T573 PolarHBondContact O-N 3.25Å
572L50.1Low59.6Low86 Ų86111.6 Ų111.645%0.4561%0.611SS.*  trans-57.297.7148.9-72.5161000105.1L281 H570L281-L572 HydrophobicContact CD2-CD1 4.19Å; H570-L572 PolarHBondContact O-N 3.12Å
573T39.8Very low57.7Low107 Ų107111.4 Ų111.466%0.65662%0.622SS**  trans-51.8130.316922.50000107.6L571 Q575L571-T573 PolarHBondContact O-N 3.25Å; T573-Q575 PolarHBondContact O-N 2.93Å
574P37.6Very low55.6Low118 Ų118110.9 Ų110.977%0.76663%0.626SS**  trans-59.8109.2167.122.7-28.3000106.8P576P574-P576 VanDerWaalsContact O-CD 3.29Å; P574-P576 WeakPolarHBondContact O-CD 3.38Å
575Q32.3Very low53.2Low154 Ų154114.4 Ų114.472%0.7263%0.625SS**  trans-59.5118.4167.8-77.8-94.1-2200106.7T573 G577T573-Q575 PolarHBondContact O-N 2.93Å; Q575-G577 PolarHBondContact O-N 2.59Å
576P29.3Very low50.5Low127 Ų127117.2 Ų117.283%0.82564%0.642SS**SBendtrans-71.1115.9175.4-4.420.1000108.3P574P574-P576 VanDerWaalsContact O-CD 3.29Å; P574-P576 WeakPolarHBondContact O-CD 3.38Å
577G41.1Very low47.4Very low57 Ų57126.3 Ų126.359%0.58869%0.692SS**  trans84.997166.400000114.8Q575Q575-G577 PolarHBondContact O-N 2.59Å
578W33.8Very low44.6Very low317 Ų317131.1 Ų131.1100%1.20171%0.712SS**  trans-157.60139.7-74.7102.2000108.2

Retrieved 578 of 578 residues in 355.2 ms (Link to these results)

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