B5XFY7_SALSA Loading...

Ribose-phosphate pyrophosphokinase 2

AlphaFold DB , UniProt , Accession B5XFY7, Species SALSA (Salmo salar, Atlantic salmon), Gene PRPS2, Length 318 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
1M62.9Low91Very high189 Ų18943.5 Ų43.593%0.93124%0.243SC*.  0144.40-74.4167.6-178.300106.6
2P77.1Confident90.8Very high50 Ų5040.5 Ų40.533%0.32523%0.226SC..PPolyproline II helixtrans-54.8151.6170.526.1-33.9000109.5G50 D52 H304P2-G50 WeakPolarHBondContact CB-O 3.44Å; P2-D52 HydrophobicContact CB-CB 4.21Å; P2-D52 HydrophobicContact CG-CB 4.03Å; P2-H304 PolarHBondContact O-CE1 3.07Å; P2-H304 PolarHBondContact O-NE2 3.38Å
3N91.6Very high90.9Very high105 Ų10546.8 Ų46.856%0.56125%0.252SS*.PPolyproline II helixtrans-76.9152.8172.2-51.8-56.5000109.2E51 D52N3-E51 VanDerWaalsContact CA-OE2 3.23Å; N3-E51 WeakPolarHBondContact CA-OE2 3.41Å; N3-E51 WeakPolarHBondContact CB-OE2 3.44Å; N3-E51 PolarHBondContact N-OE2 3.36Å; N3-E51 PolarHBondContact ND2-OE1 3.05Å; N3-E51 PolarHBondContact ND2-OE2 2.79Å; N3-D52 PolarHBondContact O-N 2.75Å
4I96.9Very high91.3Very high38 Ų3848.2 Ų48.220%0.19526%0.26CS..EExtended strand (participates in β ladder)trans-81.7132.1173-179.9163.3000109.8L23 L25 Y54 I300I4-L23 HydrophobicContact CD1-CD1 4.23Å; I4-L25 HydrophobicContact CB-CD1 4.36Å; I4-L25 HydrophobicContact CD1-CD1 4Å; I4-L25 HydrophobicContact CG1-CD1 3.85Å; I4-L25 HydrophobicContact CG2-CD1 3.64Å; I4-L25 HydrophobicContact CG2-CD2 3.94Å; I4-L25 HydrophobicContact CG2-CG 4.41Å; I4-Y54 HydrophobicContact CD1-CD2 4.04Å; I4-Y54 HydrophobicContact CD1-CE2 3.88Å; I4-Y54 HydrophobicContact CG1-CD2 3.87Å; I4-Y54 HydrophobicContact CG1-CE2 3.9Å; I4-I300 HydrophobicContact CD1-CG2 3.42Å; I4-I300 VanDerWaalsContact CD1-CG2 3.42Å
5V97.7Very high91.7Very high16 Ų1645 Ų4510%0.09724%0.242CC..EExtended strand (participates in β ladder)trans-128.8129172.5-177.10000109.1F7 E51 D52 V53 Y54V5-F7 HydrophobicContact CB-CE2 4.39Å; V5-F7 HydrophobicContact CG1-CD2 4.06Å; V5-F7 HydrophobicContact CG1-CE1 4.46Å; V5-F7 HydrophobicContact CG1-CE2 3.38Å; V5-F7 HydrophobicContact CG1-CZ 3.62Å; V5-E51 HydrophobicContact CG2-CB 3.83Å; V5-E51 HydrophobicContact CG2-CG 4.01Å; V5-D52 PolarHBondContact N-O 3.37Å; V5-V53 CarbonylContact O-C 3.47Å; V5-V53 WeakPolarHBondContact O-CA 3.42Å; V5-Y54 PolarHBondContact O-N 3.41Å
6L98.3Very high92.1Very high1 Ų142.2 Ų42.21%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-115.1119.6-178.1-173.569.4000110.3V19 A20 L23 L27 G28 Y54 V56 I300L6-V19 HydrophobicContact CD2-CB 4.32Å; L6-V19 HydrophobicContact CD2-CG1 3.85Å; L6-A20 HydrophobicContact CD2-CB 3.78Å; L6-L23 HydrophobicContact CD2-CD1 4.43Å; L6-L27 HydrophobicContact CB-CD2 4.44Å; L6-L27 HydrophobicContact CD2-CD2 3.88Å; L6-L27 HydrophobicContact CG-CD2 3.93Å; L6-L27 WeakPolarHBondContact O-CA 3.22Å; L6-G28 PolarHBondContact O-N 2.83Å; L6-Y54 CarbonylContact C-O 3.37Å; L6-Y54 WeakPolarHBondContact CA-O 3.38Å; L6-V56 HydrophobicContact CD1-CG2 3.64Å; L6-V56 HydrophobicContact CG-CG2 4.43Å; L6-I300 HydrophobicContact CD1-CD1 4.16Å
7F98.4Very high92.4Very high0 Ų044.1 Ų44.10%023%0.234CC..EExtended strand (participates in β ladder)trans-107.4147.7171.7-64.9-81000111V5 G28 V30 I44 E46 V48 V53 Y54 I55 V56 M73V5-F7 HydrophobicContact CB-CE2 4.39Å; V5-F7 HydrophobicContact CG1-CD2 4.06Å; V5-F7 HydrophobicContact CG1-CE1 4.46Å; V5-F7 HydrophobicContact CG1-CE2 3.38Å; V5-F7 HydrophobicContact CG1-CZ 3.62Å; F7-G28 WeakPolarHBondContact CD1-O 3.33Å; F7-G28 VanDerWaalsContact CE1-C 3.49Å; F7-V30 HydrophobicContact CD1-CB 4.07Å; F7-V30 HydrophobicContact CD1-CG1 4.35Å; F7-I44 HydrophobicContact CE1-CG2 3.97Å; F7-I44 HydrophobicContact CE2-CG2 4.48Å; F7-I44 HydrophobicContact CZ-CG2 3.67Å; F7-E46 HydrophobicContact CE1-CG 4.37Å; F7-E46 HydrophobicContact CZ-CG 4.18Å; F7-V48 HydrophobicContact CE2-CG1 3.58Å; F7-V48 HydrophobicContact CZ-CG1 3.56Å; F7-V53 HydrophobicContact CD2-CG1 3.73Å; F7-V53 HydrophobicContact CE2-CG1 3.89Å; F7-Y54 PolarHBondContact N-O 3.5Å; F7-I55 HydrophobicContact CB-CG1 4.45Å; F7-V56 PolarHBondContact O-N 2.88Å; F7-M73 HydrophobicContact CB-CE 3.65Å; F7-M73 HydrophobicContact CG-CE 4.43Å
8S97.8Very high92.7Very high9 Ų945.3 Ų45.36%0.06324%0.237CC..EExtended strand (participates in β ladder)trans-102.3136.2167.7-171.90000110S16S8-S16 WeakPolarHBondContact CB-OG 3.45Å; S8-S16 WeakPolarHBondContact OG-CB 3.45Å; S8-S16 PolarHBondContact OG-OG 3.41Å
9G95.2Very high93Very high0 Ų042.9 Ų42.90%023%0.225CC..  trans-76.9-174.7156.400000112V56G9-V56 PolarHBondContact N-O 2.93Å
10S94.1Very high93.3Very high56 Ų5640.8 Ų40.839%0.39221%0.214SC..SBendtrans-80.6-16.3-179.264.10000114.4H12 N66 E69S10-H12 PolarHBondContact O-N 3.19Å; S10-N66 PolarHBondContact OG-OD1 3.11Å; S10-E69 VanDerWaalsContact CB-OE2 3.27Å; S10-E69 WeakPolarHBondContact CB-OE2 3.31Å; S10-E69 PolarHBondContact N-OE2 3.49Å; S10-E69 VanDerWaalsContact OG-CD 3.27Å; S10-E69 PolarHBondContact OG-OE1 3.33Å; S10-E69 PolarHBondContact OG-OE2 2.71Å
11S90.6Very high93.5Very high15 Ų1543.6 Ų43.611%0.10523%0.229CC..SBendtrans-66.2-35.4-17464.60000114.5Q57 S58 N66 P276S11-Q57 PolarHBondContact OG-OE1 3.3Å; S11-S58 WeakPolarHBondContact CB-O 3.38Å; S11-S58 PolarHBondContact OG-N 3.45Å; S11-S58 PolarHBondContact OG-O 2.97Å; S11-N66 WeakPolarHBondContact CB-ND2 3.4Å; S11-P276 WeakPolarHBondContact O-CG 3.49Å
12H88.9Confident95.2Very high7 Ų739.8 Ų39.83%0.03220%0.204CC..  trans-158.668.2-172.1-159.4-10.9000113.7S10 D14 L15 S16 N273 P276S10-H12 PolarHBondContact O-N 3.19Å; H12-D14 VanDerWaalsContact C-N 3.33Å; H12-D14 PolarHBondContact O-N 2.88Å; H12-L15 HydrophobicContact CB-CB 4.35Å; H12-L15 PolarHBondContact ND1-N 3.39Å; H12-L15 PolarHBondContact O-N 2.92Å; H12-S16 PolarHBondContact O-N 3.44Å; H12-S16 PolarHBondContact O-OG 2.73Å; H12-S16 VanDerWaalsContact O-OG 3.13Å; H12-N273 PolarHBondContact CD2-O 3.27Å; H12-N273 PolarHBondContact NE2-O 3.42Å; H12-P276 HydrophobicContact CB-CG 4.08Å; H12-P276 VanDerWaalsContact CD2-CD 3.45Å; H12-P276 WeakPolarHBondContact CD2-CD 3.45Å
13Q91.9Very high96.1Very high123 Ų12339.2 Ų39.258%0.57520%0.198SC*.Hα-helixtrans-60.7-36.3-179.7-67.8-178000114L15 S16 Q17Q13-L15 PolarHBondContact O-N 3.26Å; Q13-S16 PolarHBondContact O-N 3Å; Q13-Q17 WeakPolarHBondContact O-CB 3.21Å; Q13-Q17 PolarHBondContact O-N 3.48Å
14D96.3Very high96.4Very high66 Ų6637.4 Ų37.435%0.35320%0.204SC..Hα-helixtrans-58.8-47177.9173.880000112.5H12 Q17 K18H12-D14 VanDerWaalsContact C-N 3.33Å; H12-D14 PolarHBondContact O-N 2.88Å; D14-Q17 PolarHBondContact O-N 2.71Å; D14-K18 WeakPolarHBondContact O-CG 3.42Å; D14-K18 PolarHBondContact O-N 2.83Å; D14-K18 WeakPolarHBondContact OD1-CE 3.25Å; D14-K18 IonicContact OD1-NZ 3.95Å; D14-K18 PolarHBondContact OD1-NZ 3.02Å; D14-K18 VanDerWaalsContact OD2-CE 3.25Å; D14-K18 WeakPolarHBondContact OD2-CE 3.49Å; D14-K18 IonicContact OD2-NZ 2.93Å; D14-K18 PolarHBondContact OD2-NZ 2.74Å
15L97.4Very high96.4Very high0 Ų037.8 Ų37.80%021%0.206CC..Hα-helixtrans-65-44.4177.4178.164.2000111.1H12 Q13 Q17 K18 V19 P90 I292 A293 L296H12-L15 HydrophobicContact CB-CB 4.35Å; H12-L15 PolarHBondContact ND1-N 3.39Å; H12-L15 PolarHBondContact O-N 2.92Å; Q13-L15 PolarHBondContact O-N 3.26Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 3.12Å; L15-K18 PolarHBondContact O-N 2.75Å; L15-V19 HydrophobicContact CD1-CG2 4.35Å; L15-V19 VanDerWaalsContact O-CG2 3.3Å; L15-V19 WeakPolarHBondContact O-CG2 3.08Å; L15-V19 PolarHBondContact O-N 3.14Å; L15-P90 HydrophobicContact CD2-CB 4.21Å; L15-P90 HydrophobicContact CD2-CG 3.68Å; L15-I292 HydrophobicContact CD1-CD1 3.61Å; L15-I292 HydrophobicContact CD2-CD1 4.07Å; L15-I292 HydrophobicContact CG-CD1 4.49Å; L15-A293 HydrophobicContact CD1-CB 3.95Å; L15-L296 HydrophobicContact CD1-CD1 4.18Å; L15-L296 HydrophobicContact CD2-CD1 3.87Å; L15-L296 HydrophobicContact CG-CD1 4.24Å
16S97.7Very high96.4Very high0 Ų045.3 Ų45.30%024%0.24CC..Hα-helixtrans-58.3-42.6177.1-54.50000111.7S8 H12 Q13 V19 A20 V56S8-S16 WeakPolarHBondContact CB-OG 3.45Å; S8-S16 WeakPolarHBondContact OG-CB 3.45Å; S8-S16 PolarHBondContact OG-OG 3.41Å; H12-S16 PolarHBondContact O-N 3.44Å; H12-S16 PolarHBondContact O-OG 2.73Å; H12-S16 VanDerWaalsContact O-OG 3.13Å; Q13-S16 PolarHBondContact O-N 3Å; S16-V19 PolarHBondContact O-N 3.04Å; S16-A20 WeakPolarHBondContact O-CB 3.23Å; S16-A20 PolarHBondContact O-N 2.76Å; S16-V56 WeakPolarHBondContact OG-CB 3.4Å; S16-V56 WeakPolarHBondContact OG-CG1 3.5Å
17Q98Very high96.4Very high75 Ų7547.2 Ų47.235%0.3525%0.25SS..Hα-helixtrans-65.5-46.1177.4-171.361.655.200111.3Q13 D14 L15 V19 A20 D21 L27Q13-Q17 WeakPolarHBondContact O-CB 3.21Å; Q13-Q17 PolarHBondContact O-N 3.48Å; D14-Q17 PolarHBondContact O-N 2.71Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 3.12Å; Q17-V19 VanDerWaalsContact C-N 3.26Å; Q17-V19 PolarHBondContact O-N 3.38Å; Q17-A20 WeakPolarHBondContact O-CB 3.41Å; Q17-A20 PolarHBondContact O-N 2.92Å; Q17-D21 PolarHBondContact NE2-OD1 2.85Å; Q17-D21 PolarHBondContact O-N 3.16Å; Q17-L27 HydrophobicContact CB-CD1 4.38Å
18K98.3Very high96.3Very high66 Ų6647.6 Ų47.629%0.28725%0.254SS..Hα-helixtrans-59.1-36.9175.7-73.6171.1178.1161.80112.6D14 L15 R22 A293D14-K18 WeakPolarHBondContact O-CG 3.42Å; D14-K18 PolarHBondContact O-N 2.83Å; D14-K18 WeakPolarHBondContact OD1-CE 3.25Å; D14-K18 IonicContact OD1-NZ 3.95Å; D14-K18 PolarHBondContact OD1-NZ 3.02Å; D14-K18 VanDerWaalsContact OD2-CE 3.25Å; D14-K18 WeakPolarHBondContact OD2-CE 3.49Å; D14-K18 IonicContact OD2-NZ 2.93Å; D14-K18 PolarHBondContact OD2-NZ 2.74Å; L15-K18 PolarHBondContact O-N 2.75Å; K18-R22 VanDerWaalsContact O-CG 3.24Å; K18-R22 WeakPolarHBondContact O-CG 3.36Å; K18-R22 PolarHBondContact O-N 2.86Å; K18-A293 HydrophobicContact CB-CB 3.61Å
19V98.4Very high96.3Very high0 Ų054 Ų540%028%0.281CS..Hα-helixtrans-67.5-43.9174.4171.60000110.7L6 L15 S16 Q17 R22 L23 A293 L296 A297 I300L6-V19 HydrophobicContact CD2-CB 4.32Å; L6-V19 HydrophobicContact CD2-CG1 3.85Å; L15-V19 HydrophobicContact CD1-CG2 4.35Å; L15-V19 VanDerWaalsContact O-CG2 3.3Å; L15-V19 WeakPolarHBondContact O-CG2 3.08Å; L15-V19 PolarHBondContact O-N 3.14Å; S16-V19 PolarHBondContact O-N 3.04Å; Q17-V19 VanDerWaalsContact C-N 3.26Å; Q17-V19 PolarHBondContact O-N 3.38Å; V19-R22 PolarHBondContact O-N 3.38Å; V19-L23 HydrophobicContact CG1-CD1 4.03Å; V19-L23 WeakPolarHBondContact O-CG 3.27Å; V19-L23 PolarHBondContact O-N 2.85Å; V19-L23 VanDerWaalsContact O-N 3.11Å; V19-A293 HydrophobicContact CG2-CB 4.13Å; V19-L296 HydrophobicContact CG2-CB 3.89Å; V19-L296 HydrophobicContact CG2-CD1 4.32Å; V19-A297 HydrophobicContact CG1-CB 4.22Å; V19-I300 HydrophobicContact CG1-CD1 3.61Å
20A98.1Very high96.4Very high0 Ų055.9 Ų55.90%029%0.292CS..Hα-helixtrans-59.6-48.8176.400000111.7L6 S16 Q17 R22 L23 G24 L25 L27L6-A20 HydrophobicContact CD2-CB 3.78Å; S16-A20 WeakPolarHBondContact O-CB 3.23Å; S16-A20 PolarHBondContact O-N 2.76Å; Q17-A20 WeakPolarHBondContact O-CB 3.41Å; Q17-A20 PolarHBondContact O-N 2.92Å; A20-R22 VanDerWaalsContact C-N 3.3Å; A20-R22 PolarHBondContact O-N 3.22Å; A20-L23 CarbonylContact O-C 3.52Å; A20-L23 WeakPolarHBondContact O-CA 3.49Å; A20-L23 PolarHBondContact O-N 3.2Å; A20-G24 PolarHBondContact O-N 2.77Å; A20-L25 CarbonylContact C-O 3.6Å; A20-L25 WeakPolarHBondContact CB-O 3.33Å; A20-L25 PolarHBondContact O-N 3.48Å; A20-L27 HydrophobicContact CB-CD2 3.92Å; A20-L27 HydrophobicContact CB-CG 4.06Å
21D98.2Very high96.5Very high99 Ų9957.6 Ų57.653%0.52930%0.296SS..Hα-helixtrans-58.1-42.9179.9-65-17.3000111.3Q17 L23 G24Q17-D21 PolarHBondContact NE2-OD1 2.85Å; Q17-D21 PolarHBondContact O-N 3.16Å; D21-L23 VanDerWaalsContact C-N 3.31Å; D21-L23 PolarHBondContact O-N 3.01Å; D21-G24 PolarHBondContact O-N 2.76Å; D21-G24 VanDerWaalsContact O-N 3.11Å
22R97.8Very high96.7Very high110 Ų11058.9 Ų58.942%0.41530%0.303SS..Hα-helixtrans-69.7-27178.3-71.6178-177.1-79.75.9113.3K18 V19 A20 G24 D291 M294 A297K18-R22 VanDerWaalsContact O-CG 3.24Å; K18-R22 WeakPolarHBondContact O-CG 3.36Å; K18-R22 PolarHBondContact O-N 2.86Å; V19-R22 PolarHBondContact O-N 3.38Å; A20-R22 VanDerWaalsContact C-N 3.3Å; A20-R22 PolarHBondContact O-N 3.22Å; R22-G24 VanDerWaalsContact C-N 3.32Å; R22-D291 IonicContact CZ-OD2 2.73Å; R22-D291 IonicContact NE-OD2 3.1Å; R22-D291 IonicContact NH2-OD2 2.84Å; R22-D291 PolarHBondContact NH2-OD2 3.08Å; R22-M294 HydrophobicContact CB-SD 4.41Å; R22-M294 HydrophobicContact CG-SD 4.26Å; R22-M294 VanDerWaalsContact NH1-CE 3.26Å; R22-M294 PolarHBondContact NH1-SD 3.26Å; R22-A297 HydrophobicContact CB-CB 3.76Å
23L97.4Very high97Very high37 Ų3763.5 Ų63.519%0.19432%0.323CS..Hα-helixtrans-83.5-8.5172.3-69.5170.7000112.7I4 L6 V19 A20 D21 L25 A297 I300 R301I4-L23 HydrophobicContact CD1-CD1 4.23Å; L6-L23 HydrophobicContact CD2-CD1 4.43Å; V19-L23 HydrophobicContact CG1-CD1 4.03Å; V19-L23 WeakPolarHBondContact O-CG 3.27Å; V19-L23 PolarHBondContact O-N 2.85Å; V19-L23 VanDerWaalsContact O-N 3.11Å; A20-L23 CarbonylContact O-C 3.52Å; A20-L23 WeakPolarHBondContact O-CA 3.49Å; A20-L23 PolarHBondContact O-N 3.2Å; D21-L23 VanDerWaalsContact C-N 3.31Å; D21-L23 PolarHBondContact O-N 3.01Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 HydrophobicContact CB-CB 4.42Å; L23-L25 HydrophobicContact CB-CD1 3.75Å; L23-L25 HydrophobicContact CB-CG 3.81Å; L23-L25 HydrophobicContact CD1-CD1 4.07Å; L23-A297 HydrophobicContact CD2-CB 4.29Å; L23-A297 WeakPolarHBondContact CD2-O 3.47Å; L23-A297 HydrophobicContact CG-CB 4.06Å; L23-I300 HydrophobicContact CD1-CB 4.29Å; L23-I300 HydrophobicContact CD1-CD1 4.41Å; L23-I300 HydrophobicContact CD1-CG2 3.77Å; L23-R301 HydrophobicContact CD2-CB 3.96Å
24G97.4Very high97.1Very high67 Ų6762.2 Ų62.269%0.69132%0.316SS*.THydrogen-bonded Turntrans68.432.3-172.600000112.9A20 D21 R22A20-G24 PolarHBondContact O-N 2.77Å; D21-G24 PolarHBondContact O-N 2.76Å; D21-G24 VanDerWaalsContact O-N 3.11Å; R22-G24 VanDerWaalsContact C-N 3.32Å
25L97.1Very high97.1Very high46 Ų4663.3 Ų63.324%0.24132%0.318CS..  trans-117155-177.3-58.2175000110.9I4 A20 L23I4-L25 HydrophobicContact CB-CD1 4.36Å; I4-L25 HydrophobicContact CD1-CD1 4Å; I4-L25 HydrophobicContact CG1-CD1 3.85Å; I4-L25 HydrophobicContact CG2-CD1 3.64Å; I4-L25 HydrophobicContact CG2-CD2 3.94Å; I4-L25 HydrophobicContact CG2-CG 4.41Å; A20-L25 CarbonylContact C-O 3.6Å; A20-L25 WeakPolarHBondContact CB-O 3.33Å; A20-L25 PolarHBondContact O-N 3.48Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 HydrophobicContact CB-CB 4.42Å; L23-L25 HydrophobicContact CB-CD1 3.75Å; L23-L25 HydrophobicContact CB-CG 3.81Å; L23-L25 HydrophobicContact CD1-CD1 4.07Å
26E97.6Very high97.1Very high174 Ų17469.4 Ų69.481%0.81336%0.36SS*.PPolyproline II helixtrans-89.8151.4161.1-65.5-176.7176.800109.5G28E26-G28 PolarHBondContact O-N 3.19Å
27L97.9Very high97Very high42 Ų4273.8 Ų73.822%0.2238%0.383CS..PPolyproline II helixtrans-66.9133.9170.3-71176.7000109.9L6 Q17 A20L6-L27 HydrophobicContact CB-CD2 4.44Å; L6-L27 HydrophobicContact CD2-CD2 3.88Å; L6-L27 HydrophobicContact CG-CD2 3.93Å; L6-L27 WeakPolarHBondContact O-CA 3.22Å; Q17-L27 HydrophobicContact CB-CD1 4.38Å; A20-L27 HydrophobicContact CB-CD2 3.92Å; A20-L27 HydrophobicContact CB-CG 4.06Å
28G97.3Very high96.9Very high8 Ų876 Ų768%0.08239%0.394CS..PPolyproline II helixtrans-59.6144.5174.500000111.5L6 F7 E26 V30 E46L6-G28 PolarHBondContact O-N 2.83Å; F7-G28 WeakPolarHBondContact CD1-O 3.33Å; F7-G28 VanDerWaalsContact CE1-C 3.49Å; E26-G28 PolarHBondContact O-N 3.19Å; G28-V30 PolarHBondContact O-N 2.73Å; G28-E46 WeakPolarHBondContact CA-OE1 3.35Å
29K97.2Very high96.9Very high144 Ų14478.3 Ų78.363%0.62641%0.406SS*.PPolyproline II helixtrans-69.7117-178.7-65.6172.7-174.8169.80109.5G45 E46K29-G45 WeakPolarHBondContact O-CA 3.37Å; K29-G45 PolarHBondContact O-N 3.29Å; K29-E46 PolarHBondContact N-OE1 3.02Å
30V97.4Very high96.9Very high39 Ų3979.4 Ų79.424%0.23641%0.413CS..EExtended strand (participates in β ladder)trans-136.2137.5172.861.80000109.6F7 G28 T32 V42 E43 I44 M73F7-V30 HydrophobicContact CD1-CB 4.07Å; F7-V30 HydrophobicContact CD1-CG1 4.35Å; G28-V30 PolarHBondContact O-N 2.73Å; V30-T32 HydrophobicContact CG1-CG2 4.31Å; V30-T32 HydrophobicContact CG2-CG2 3.77Å; V30-V42 HydrophobicContact CG2-CG1 3.92Å; V30-E43 WeakPolarHBondContact CA-O 3.25Å; V30-I44 HydrophobicContact CG2-CD1 4.11Å; V30-M73 HydrophobicContact CG1-CE 4.43Å; V30-M73 HydrophobicContact CG2-CE 4.25Å
31I96.4Very high96.9Very high92 Ų9280.7 Ų80.747%0.47242%0.421SS..EExtended strand (participates in β ladder)trans-101.3106.5170.3-57.7172.3000107V42 E43I31-V42 CarbonylContact O-C 3.52Å; I31-V42 WeakPolarHBondContact O-CA 3.45Å; I31-E43 HydrophobicContact CB-CB 4.3Å; I31-E43 PolarHBondContact N-O 2.92Å; I31-E43 PolarHBondContact O-N 3.15Å
32T94.3Very high96.9Very high41 Ų4177.2 Ų77.225%0.25240%0.403SS..EExtended strand (participates in β ladder)trans-108.7122.2173.355.40000109.5V30 C41 V42 E69V30-T32 HydrophobicContact CG1-CG2 4.31Å; V30-T32 HydrophobicContact CG2-CG2 3.77Å; T32-C41 WeakPolarHBondContact CA-O 3.49Å; T32-V42 HydrophobicContact CG2-CG2 4.36Å; T32-E69 WeakPolarHBondContact CB-OE1 3.42Å; T32-E69 HydrophobicContact CG2-CG 4.49Å
33K94.6Very high96.9Very high105 Ų10577.5 Ų77.546%0.45741%0.409SS..EExtended strand (participates in β ladder)trans-145163.3176.767.2-174.4176.1-170.70111C41K33-C41 VanDerWaalsContact CE-SG 3.6Å; K33-C41 HydrophobicContact CG-CB 3.83Å; K33-C41 PolarHBondContact N-O 2.98Å; K33-C41 PolarHBondContact O-N 3.42Å
34K95.4Very high96.9Very high95 Ų9577.3 Ų77.341%0.41341%0.408SS..EExtended strand (participates in β ladder)trans-105.8135.3167.2-73.2-168.6178.5179.40111.2E39 D65K34-E39 CarbonylContact C-O 3.59Å; K34-E39 WeakPolarHBondContact CA-O 3.14Å; K34-D65 IonicContact NZ-OD1 2.66Å; K34-D65 IonicContact NZ-OD2 3.22Å; K34-D65 PolarHBondContact NZ-OD2 3.16Å
35F95.8Very high96.9Very high90 Ų9076.3 Ų76.340%0.39540%0.398SS..  trans-71164.2167-65.5-48000110.7N37 Q38 E39 C41F35-N37 VanDerWaalsContact CB-OD1 3.29Å; F35-N37 WeakPolarHBondContact CB-OD1 3.46Å; F35-N37 PolarHBondContact O-N 2.84Å; F35-N37 VanDerWaalsContact O-N 3.13Å; F35-Q38 PolarHBondContact O-N 3.3Å; F35-E39 HydrophobicContact CB-CB 4.41Å; F35-E39 HydrophobicContact CD2-CB 3.91Å; F35-E39 PolarHBondContact N-O 3.34Å; F35-C41 HydrophobicContact CD2-CB 4.21Å; F35-C41 HydrophobicContact CE1-CB 4.08Å; F35-C41 HydrophobicContact CE2-CB 3.63Å; F35-C41 HydrophobicContact CZ-CB 3.54Å; F35-C41 VanDerWaalsContact CZ-SG 3.57Å
36S96.1Very high96.9Very high127 Ų12777.9 Ų77.989%0.88840%0.404SS*.THydrogen-bonded Turntrans-62.3-20.1-178.254.30000113.9Q38S36-Q38 VanDerWaalsContact C-N 3.33Å
37N96.4Very high96.8Very high92 Ų9274 Ų7449%0.49240%0.396SS..THydrogen-bonded Turntrans-92.914.8174.371.9-25.8000113.4F35 E39F35-N37 VanDerWaalsContact CB-OD1 3.29Å; F35-N37 WeakPolarHBondContact CB-OD1 3.46Å; F35-N37 PolarHBondContact O-N 2.84Å; F35-N37 VanDerWaalsContact O-N 3.13Å; N37-E39 VanDerWaalsContact C-N 3.28Å; N37-E39 VanDerWaalsContact ND2-CD 3.3Å; N37-E39 PolarHBondContact ND2-OE1 3.24Å; N37-E39 PolarHBondContact O-N 2.97Å; N37-E39 PolarHBondContact OD1-N 3.21Å
38Q96.3Very high96.8Very high122 Ų12272 Ų7257%0.5739%0.386SS*.SBendtrans73.81.4179.2-46.9-59.2106.300116.4F35 S36F35-Q38 PolarHBondContact O-N 3.3Å; S36-Q38 VanDerWaalsContact C-N 3.33Å
39E98.1Very high96.9Very high114 Ų11479.4 Ų79.453%0.53341%0.411SS..  trans-63.9138.4172.3-77.5176.2-154.300111.4K34 F35 N37K34-E39 CarbonylContact C-O 3.59Å; K34-E39 WeakPolarHBondContact CA-O 3.14Å; F35-E39 HydrophobicContact CB-CB 4.41Å; F35-E39 HydrophobicContact CD2-CB 3.91Å; F35-E39 PolarHBondContact N-O 3.34Å; N37-E39 VanDerWaalsContact C-N 3.28Å; N37-E39 VanDerWaalsContact ND2-CD 3.3Å; N37-E39 PolarHBondContact ND2-OE1 3.24Å; N37-E39 PolarHBondContact O-N 2.97Å; N37-E39 PolarHBondContact OD1-N 3.21Å
40T97.9Very high96.9Very high24 Ų2474.3 Ų74.315%0.14740%0.4CS..EExtended strand (participates in β ladder)trans-86.3128.1177.3-590000109.9V42 E69 I72T40-V42 HydrophobicContact CG2-CG2 4.16Å; T40-E69 HydrophobicContact CG2-CB 3.87Å; T40-E69 HydrophobicContact CG2-CG 3.93Å; T40-I72 HydrophobicContact CG2-CD1 4.2Å
41C97.8Very high96.9Very high27 Ų2774.2 Ų74.218%0.18240%0.397CS..EExtended strand (participates in β ladder)trans-115.3127.2177.6177.60000109T32 K33 F35T32-C41 WeakPolarHBondContact CA-O 3.49Å; K33-C41 VanDerWaalsContact CE-SG 3.6Å; K33-C41 HydrophobicContact CG-CB 3.83Å; K33-C41 PolarHBondContact N-O 2.98Å; K33-C41 PolarHBondContact O-N 3.42Å; F35-C41 HydrophobicContact CD2-CB 4.21Å; F35-C41 HydrophobicContact CE1-CB 4.08Å; F35-C41 HydrophobicContact CE2-CB 3.63Å; F35-C41 HydrophobicContact CZ-CB 3.54Å; F35-C41 VanDerWaalsContact CZ-SG 3.57Å
42V98.3Very high97Very high25 Ų2570 Ų7015%0.15238%0.375CS..EExtended strand (participates in β ladder)trans-128.1132.6-179.91760000108.3V30 I31 T32 T40 I44 E69 I72 M73V30-V42 HydrophobicContact CG2-CG1 3.92Å; I31-V42 CarbonylContact O-C 3.52Å; I31-V42 WeakPolarHBondContact O-CA 3.45Å; T32-V42 HydrophobicContact CG2-CG2 4.36Å; T40-V42 HydrophobicContact CG2-CG2 4.16Å; V42-I44 HydrophobicContact CG1-CD1 4.28Å; V42-E69 HydrophobicContact CG2-CG 4.13Å; V42-I72 HydrophobicContact CB-CG2 3.71Å; V42-I72 HydrophobicContact CG2-CB 4.18Å; V42-I72 HydrophobicContact CG2-CG2 3.73Å; V42-M73 HydrophobicContact CB-CG 4.45Å; V42-M73 HydrophobicContact CG1-CB 4.49Å; V42-M73 HydrophobicContact CG1-CG 3.57Å; V42-M73 HydrophobicContact CG2-CG 4.07Å
43E98.1Very high97.2Very high116 Ų11668 Ų6854%0.54236%0.363SS..EExtended strand (participates in β ladder)trans-132.9117.6172.3-169176.316300109.3V30 I31 G45V30-E43 WeakPolarHBondContact CA-O 3.25Å; I31-E43 HydrophobicContact CB-CB 4.3Å; I31-E43 PolarHBondContact N-O 2.92Å; I31-E43 PolarHBondContact O-N 3.15Å; E43-G45 PolarHBondContact O-N 3.45Å
44I98.3Very high97.4Very high33 Ų3363 Ų6317%0.16934%0.341CS..EExtended strand (participates in β ladder)trans-75.2115.7175.3-52.3-60.2000107.6F7 V30 V42 E46 V48 A76F7-I44 HydrophobicContact CE1-CG2 3.97Å; F7-I44 HydrophobicContact CE2-CG2 4.48Å; F7-I44 HydrophobicContact CZ-CG2 3.67Å; V30-I44 HydrophobicContact CG2-CD1 4.11Å; V42-I44 HydrophobicContact CG1-CD1 4.28Å; I44-E46 VanDerWaalsContact C-N 3.31Å; I44-E46 WeakPolarHBondContact CG2-O 3.45Å; I44-E46 PolarHBondContact O-N 3.1Å; I44-V48 HydrophobicContact CG2-CG1 3.93Å; I44-A76 HydrophobicContact CG1-CB 3.96Å
45G96.7Very high97.6Very high47 Ų4758.5 Ų58.549%0.48532%0.322SS..  trans-85.74.2-171.100000115K29 E43K29-G45 WeakPolarHBondContact O-CA 3.37Å; K29-G45 PolarHBondContact O-N 3.29Å; E43-G45 PolarHBondContact O-N 3.45Å
46E96.3Very high97.7Very high78 Ų7854.2 Ų54.236%0.36430%0.303SS..SBendtrans-145.3163.617865-173.791.500112.2F7 G28 K29 I44 V48F7-E46 HydrophobicContact CE1-CG 4.37Å; F7-E46 HydrophobicContact CZ-CG 4.18Å; G28-E46 WeakPolarHBondContact CA-OE1 3.35Å; K29-E46 PolarHBondContact N-OE1 3.02Å; I44-E46 VanDerWaalsContact C-N 3.31Å; I44-E46 WeakPolarHBondContact CG2-O 3.45Å; I44-E46 PolarHBondContact O-N 3.1Å; E46-V48 PolarHBondContact O-N 2.82Å
47S97.1Very high97.7Very high92 Ų9248.3 Ų48.364%0.64326%0.261SS*.  trans-75124.4179.7173.80000110.7R49S47-R49 PolarHBondContact OG-N 2.88Å
48V98.3Very high97.5Very high2 Ų244 Ų441%0.01224%0.239CC..  trans-105.59.7173.4-62.20000112.9F7 I44 E46 G50 E51 V53 C77 A80 S82F7-V48 HydrophobicContact CE2-CG1 3.58Å; F7-V48 HydrophobicContact CZ-CG1 3.56Å; I44-V48 HydrophobicContact CG2-CG1 3.93Å; E46-V48 PolarHBondContact O-N 2.82Å; V48-G50 PolarHBondContact O-N 3.47Å; V48-E51 WeakPolarHBondContact O-CB 3.15Å; V48-E51 PolarHBondContact O-N 3.04Å; V48-E51 VanDerWaalsContact O-N 3.08Å; V48-V53 HydrophobicContact CB-CG2 3.96Å; V48-V53 HydrophobicContact CG1-CG2 4.21Å; V48-C77 HydrophobicContact CG2-CB 4.44Å; V48-A80 HydrophobicContact CG2-CB 3.62Å; V48-S82 VanDerWaalsContact O-CA 3.25Å; V48-S82 WeakPolarHBondContact O-CA 3.2Å
49R98.1Very high96.8Very high162 Ų16238.9 Ų38.961%0.61122%0.218SC*.THydrogen-bonded Turntrans-61.7120.4-174.9178.4179-62.4-72.6-7110.9S47 E51 S81S47-R49 PolarHBondContact OG-N 2.88Å; R49-E51 PolarHBondContact O-N 3.42Å; R49-S81 WeakPolarHBondContact CA-O 3.24Å; R49-S81 PolarHBondContact NH1-OG 3.08Å
50G97.5Very high96.1Very high37 Ų3734 Ų3438%0.38120%0.197SC..THydrogen-bonded Turntrans73.75.9179.900000114.6P2 V48 S81 S83P2-G50 WeakPolarHBondContact CB-O 3.44Å; V48-G50 PolarHBondContact O-N 3.47Å; G50-S81 PolarHBondContact N-O 2.86Å; G50-S83 WeakPolarHBondContact O-CB 3.49Å
51E98.2Very high95.7Very high38 Ų3836.5 Ų36.518%0.17823%0.227CC..  trans-89.7158.9-179.7-54.9-63.7-170.100112.2N3 V5 V48 R49 V53 S83 R84N3-E51 VanDerWaalsContact CA-OE2 3.23Å; N3-E51 WeakPolarHBondContact CA-OE2 3.41Å; N3-E51 WeakPolarHBondContact CB-OE2 3.44Å; N3-E51 PolarHBondContact N-OE2 3.36Å; N3-E51 PolarHBondContact ND2-OE1 3.05Å; N3-E51 PolarHBondContact ND2-OE2 2.79Å; V5-E51 HydrophobicContact CG2-CB 3.83Å; V5-E51 HydrophobicContact CG2-CG 4.01Å; V48-E51 WeakPolarHBondContact O-CB 3.15Å; V48-E51 PolarHBondContact O-N 3.04Å; V48-E51 VanDerWaalsContact O-N 3.08Å; R49-E51 PolarHBondContact O-N 3.42Å; E51-V53 HydrophobicContact CB-CG2 4.46Å; E51-S83 WeakPolarHBondContact O-CB 3.4Å; E51-S83 PolarHBondContact O-N 2.86Å; E51-R84 PolarHBondContact O-N 2.83Å
52D98.5Very high95.6Very high2 Ų241.5 Ų41.51%0.01125%0.248CC..EExtended strand (participates in β ladder)trans-94.8100.8173.8-170.521.5000109.3P2 N3 V5 Y54 R84 H304P2-D52 HydrophobicContact CB-CB 4.21Å; P2-D52 HydrophobicContact CG-CB 4.03Å; N3-D52 PolarHBondContact O-N 2.75Å; V5-D52 PolarHBondContact N-O 3.37Å; D52-Y54 HydrophobicContact CB-CE2 4.41Å; D52-Y54 PolarHBondContact OD2-OH 2.97Å; D52-R84 WeakPolarHBondContact OD1-CB 3.49Å; D52-R84 IonicContact OD1-CZ 3.53Å; D52-R84 IonicContact OD1-NE 3.7Å; D52-R84 PolarHBondContact OD1-NE 2.93Å; D52-R84 IonicContact OD1-NH2 3.41Å; D52-R84 PolarHBondContact OD1-NH2 3.4Å; D52-R84 IonicContact OD2-CZ 3.6Å; D52-R84 IonicContact OD2-NE 2.77Å; D52-R84 IonicContact OD2-NH2 2.73Å; D52-R84 PolarHBondContact OD2-NH2 3.21Å; D52-H304 IonicContact OD2-CE1 3.84Å; D52-H304 IonicContact OD2-CG 3.51Å; D52-H304 IonicContact OD2-ND1 2.75Å; D52-H304 PolarHBondContact OD2-ND1 3.02Å
53V98.7Very high95.5Very high0 Ų042.6 Ų42.60%025%0.252CS..EExtended strand (participates in β ladder)trans-96.6132.4-167179.70000110.8V5 F7 V48 E51 I55 C77 R84 V85 T86V5-V53 CarbonylContact O-C 3.47Å; V5-V53 WeakPolarHBondContact O-CA 3.42Å; F7-V53 HydrophobicContact CD2-CG1 3.73Å; F7-V53 HydrophobicContact CE2-CG1 3.89Å; V48-V53 HydrophobicContact CB-CG2 3.96Å; V48-V53 HydrophobicContact CG1-CG2 4.21Å; E51-V53 HydrophobicContact CB-CG2 4.46Å; V53-I55 HydrophobicContact CG1-CG1 4.08Å; V53-C77 HydrophobicContact CG1-CB 4.33Å; V53-R84 PolarHBondContact N-O 2.79Å; V53-V85 WeakPolarHBondContact O-CA 3.49Å; V53-T86 PolarHBondContact O-N 2.93Å
54Y98.8Very high95.5Very high0 Ų041.3 Ų41.30%025%0.249CC..EExtended strand (participates in β ladder)trans-118.8127173.2-64.5-97.1000109.3I4 V5 L6 F7 D52 R84 T86 V88 I125 I300 T303 H304I4-Y54 HydrophobicContact CD1-CD2 4.04Å; I4-Y54 HydrophobicContact CD1-CE2 3.88Å; I4-Y54 HydrophobicContact CG1-CD2 3.87Å; I4-Y54 HydrophobicContact CG1-CE2 3.9Å; V5-Y54 PolarHBondContact O-N 3.41Å; L6-Y54 CarbonylContact C-O 3.37Å; L6-Y54 WeakPolarHBondContact CA-O 3.38Å; F7-Y54 PolarHBondContact N-O 3.5Å; D52-Y54 HydrophobicContact CB-CE2 4.41Å; D52-Y54 PolarHBondContact OD2-OH 2.97Å; Y54-R84 PolarHBondContact OH-NH2 3.36Å; Y54-T86 WeakPolarHBondContact CA-O 3.42Å; Y54-T86 HydrophobicContact CD1-CG2 3.75Å; Y54-T86 HydrophobicContact CE1-CG2 3.85Å; Y54-V88 HydrophobicContact CD1-CG2 4.07Å; Y54-I125 HydrophobicContact CE1-CD1 4.27Å; Y54-I300 HydrophobicContact CD1-CB 4.26Å; Y54-I300 HydrophobicContact CD1-CD1 4.45Å; Y54-I300 HydrophobicContact CD1-CG1 3.78Å; Y54-I300 HydrophobicContact CD1-CG2 3.79Å; Y54-I300 HydrophobicContact CD2-CG2 4.03Å; Y54-I300 HydrophobicContact CE1-CB 4.19Å; Y54-I300 HydrophobicContact CE1-CG1 4.09Å; Y54-I300 HydrophobicContact CE1-CG2 3.75Å; Y54-I300 HydrophobicContact CE2-CG2 4.01Å; Y54-I300 HydrophobicContact CG-CG1 4.43Å; Y54-I300 HydrophobicContact CG-CG2 3.93Å; Y54-I300 PolarHBondContact OH-O 3.01Å; Y54-T303 HydrophobicContact CE1-CG2 4.2Å; Y54-H304 WeakPolarHBondContact OH-CA 3.35Å; Y54-H304 PolarHBondContact OH-N 3.46Å
55I98.7Very high95.5Very high0 Ų041.8 Ų41.80%025%0.252CS..EExtended strand (participates in β ladder)trans-115.5114.7178.4-57.4162.7000108.5F7 V53 L70 M73 I74 V85 T86 V88F7-I55 HydrophobicContact CB-CG1 4.45Å; V53-I55 HydrophobicContact CG1-CG1 4.08Å; I55-L70 HydrophobicContact CB-CD1 4.11Å; I55-L70 HydrophobicContact CG2-CD1 3.59Å; I55-M73 HydrophobicContact CD1-CB 3.91Å; I55-M73 HydrophobicContact CG2-CB 4.26Å; I55-M73 HydrophobicContact CG2-CE 3.75Å; I55-M73 HydrophobicContact CG2-SD 3.97Å; I55-I74 HydrophobicContact CD1-CB 4.38Å; I55-I74 HydrophobicContact CD1-CG1 3.76Å; I55-V85 HydrophobicContact CD1-CG1 3.86Å; I55-T86 PolarHBondContact N-O 3.29Å; I55-V88 PolarHBondContact O-N 2.84Å
56V98.5Very high95.5Very high1 Ų140.2 Ų40.21%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-90.6115.1178.1-175.60000109.7L6 F7 G9 S16 V88L6-V56 HydrophobicContact CD1-CG2 3.64Å; L6-V56 HydrophobicContact CG-CG2 4.43Å; F7-V56 PolarHBondContact O-N 2.88Å; G9-V56 PolarHBondContact N-O 2.93Å; S16-V56 WeakPolarHBondContact OG-CB 3.4Å; S16-V56 WeakPolarHBondContact OG-CG1 3.5Å; V56-V88 WeakPolarHBondContact CA-O 3.38Å; V56-V88 HydrophobicContact CG2-CB 4.05Å; V56-V88 HydrophobicContact CG2-CG1 4.27Å
57Q95.4Very high95.6Very high2 Ų237 Ų371%0.00922%0.218CC..  trans-150.5123.3174.8-172.190.9-81.100110.4S11 N66 E69 L70 V88 I89S11-Q57 PolarHBondContact OG-OE1 3.3Å; Q57-N66 HydrophobicContact CG-CB 4.42Å; Q57-N66 PolarHBondContact NE2-O 2.94Å; Q57-E69 PolarHBondContact NE2-OE2 3.27Å; Q57-L70 HydrophobicContact CB-CB 4.12Å; Q57-L70 HydrophobicContact CB-CD1 3.96Å; Q57-L70 HydrophobicContact CB-CD2 4.2Å; Q57-L70 HydrophobicContact CB-CG 4.31Å; Q57-L70 HydrophobicContact CG-CB 4.03Å; Q57-V88 PolarHBondContact N-O 3.07Å; Q57-I89 WeakPolarHBondContact O-CA 3.26Å; Q57-I89 WeakPolarHBondContact O-CG2 3.31Å
58S91.6Very high95.7Very high3 Ų337.2 Ų37.22%0.02121%0.21CC..  trans-94.1148.7176.7-164.30000112.2S11 C60 C91 T274S11-S58 WeakPolarHBondContact CB-O 3.38Å; S11-S58 PolarHBondContact OG-N 3.45Å; S11-S58 PolarHBondContact OG-O 2.97Å; S58-C60 PolarHBondContact O-N 3.36Å; S58-C91 WeakPolarHBondContact OG-CB 3.19Å; S58-C91 PolarHBondContact OG-N 3.27Å; S58-T274 WeakPolarHBondContact CB-O 3.49Å; S58-T274 PolarHBondContact OG-O 2.65Å
59G81.2Confident95.7Very high13 Ų1337.5 Ų37.513%0.13421%0.211CC..SBendtrans-78.856.8175.800000113.3C91G59-C91 WeakPolarHBondContact CA-O 3.37Å; G59-C91 PolarHBondContact N-O 2.78Å
60C83.6Confident95.7Very high12 Ų1230 Ų308%0.08118%0.183CC..  trans-124.7175-178.660.90000113.1S58 E62 N66 I275S58-C60 PolarHBondContact O-N 3.36Å; C60-E62 PolarHBondContact O-N 2.99Å; C60-N66 PolarHBondContact O-ND2 3.43Å; C60-I275 HydrophobicContact CB-CB 4.18Å; C60-I275 HydrophobicContact CB-CD1 3.93Å; C60-I275 HydrophobicContact CB-CG1 3.79Å; C60-I275 HydrophobicContact CB-CG2 3.61Å
61G89.9Confident95.8Very high76 Ų7629 Ų2978%0.78417%0.169SC*.SBendtrans61.9-131.5-179.500000112.6I63G61-I63 VanDerWaalsContact C-N 3.27Å; G61-I63 PolarHBondContact O-N 2.89Å
62E95Very high95.8Very high133 Ų13329.7 Ų29.762%0.62117%0.173SC*.SBendtrans-73.881.9170-67-58.4151.200110.2C60 N64 D65 N66C60-E62 PolarHBondContact O-N 2.99Å; E62-N64 VanDerWaalsContact C-N 3.25Å; E62-N64 PolarHBondContact O-N 3.15Å; E62-N64 VanDerWaalsContact O-N 3.14Å; E62-D65 HydrophobicContact CB-CB 4.12Å; E62-D65 WeakPolarHBondContact CB-OD2 3.36Å; E62-D65 PolarHBondContact O-N 3.43Å; E62-N66 PolarHBondContact O-N 3.04Å
63I97.1Very high95.8Very high47 Ų4729.6 Ų29.624%0.24117%0.173CC..Hα-helixtrans-54.3-37.1-169.3-168.1172.8000114G61 L67 P93 Y94G61-I63 VanDerWaalsContact C-N 3.27Å; G61-I63 PolarHBondContact O-N 2.89Å; I63-L67 VanDerWaalsContact O-CB 3.27Å; I63-L67 WeakPolarHBondContact O-CB 3.37Å; I63-L67 PolarHBondContact O-N 2.71Å; I63-P93 HydrophobicContact CD1-CB 3.73Å; I63-P93 HydrophobicContact CG1-CB 3.8Å; I63-Y94 HydrophobicContact CD1-CD2 4.1Å; I63-Y94 HydrophobicContact CD1-CE2 3.94Å; I63-Y94 HydrophobicContact CG1-CE2 4.13Å; I63-Y94 HydrophobicContact CG2-CE2 4.43Å
64N98.1Very high95.8Very high89 Ų8929.6 Ų29.648%0.47617%0.173SC..Hα-helixtrans-68.2-43.1179.5-71.7-49.6000111.6E62 L67 M68 Y94E62-N64 VanDerWaalsContact C-N 3.25Å; E62-N64 PolarHBondContact O-N 3.15Å; E62-N64 VanDerWaalsContact O-N 3.14Å; N64-L67 PolarHBondContact O-N 3.49Å; N64-M68 WeakPolarHBondContact O-CB 3.42Å; N64-M68 WeakPolarHBondContact O-CG 3.33Å; N64-M68 PolarHBondContact O-N 3.11Å; N64-Y94 PolarHBondContact OD1-OH 3.36Å
65D97.6Very high95.8Very high43 Ų4333.2 Ų33.223%0.2319%0.192CC..Hα-helixtrans-68.6-42.5-178.3-62.5-33.2000110.2K34 E62 L67 M68 E69K34-D65 IonicContact NZ-OD1 2.66Å; K34-D65 IonicContact NZ-OD2 3.22Å; K34-D65 PolarHBondContact NZ-OD2 3.16Å; E62-D65 HydrophobicContact CB-CB 4.12Å; E62-D65 WeakPolarHBondContact CB-OD2 3.36Å; E62-D65 PolarHBondContact O-N 3.43Å; D65-L67 VanDerWaalsContact C-N 3.34Å; D65-L67 PolarHBondContact O-N 3.01Å; D65-M68 PolarHBondContact O-N 3.05Å; D65-E69 WeakPolarHBondContact O-CB 3.39Å; D65-E69 PolarHBondContact O-N 2.92Å
66N97.9Very high95.8Very high15 Ų1534.2 Ų34.28%0.0820%0.2CC..Hα-helixtrans-65.1-37.8176.5-72-21.9000112.4S10 S11 Q57 C60 E62 L70S10-N66 PolarHBondContact OG-OD1 3.11Å; S11-N66 WeakPolarHBondContact CB-ND2 3.4Å; Q57-N66 HydrophobicContact CG-CB 4.42Å; Q57-N66 PolarHBondContact NE2-O 2.94Å; C60-N66 PolarHBondContact O-ND2 3.43Å; E62-N66 PolarHBondContact O-N 3.04Å; N66-L70 WeakPolarHBondContact O-CB 3.48Å; N66-L70 PolarHBondContact O-N 3.43Å
67L98.4Very high95.8Very high11 Ų1134.1 Ų34.16%0.05820%0.2CC..Hα-helixtrans-65.4-47.3173.2177.858.7000111.3I63 N64 D65 L70 L71 P93 Y94 V112 M115I63-L67 VanDerWaalsContact O-CB 3.27Å; I63-L67 WeakPolarHBondContact O-CB 3.37Å; I63-L67 PolarHBondContact O-N 2.71Å; N64-L67 PolarHBondContact O-N 3.49Å; D65-L67 VanDerWaalsContact C-N 3.34Å; D65-L67 PolarHBondContact O-N 3.01Å; L67-L70 PolarHBondContact O-N 3.46Å; L67-L71 HydrophobicContact CD1-CD1 4.25Å; L67-L71 HydrophobicContact CD1-CG 4.27Å; L67-L71 HydrophobicContact CG-CD1 4.14Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.4Å; L67-L71 PolarHBondContact O-N 2.83Å; L67-P93 HydrophobicContact CD1-CG 4.24Å; L67-Y94 HydrophobicContact CD2-CE2 4.3Å; L67-V112 HydrophobicContact CD1-CG1 4.11Å; L67-V112 HydrophobicContact CD2-CG2 3.9Å; L67-M115 HydrophobicContact CD2-CE 3.74Å
68M98.5Very high96Very high95 Ų9537.5 Ų37.547%0.46821%0.214SC..Hα-helixtrans-62.6-43178-74.9-56.3-56.600112N64 D65 L70 L71 I72N64-M68 WeakPolarHBondContact O-CB 3.42Å; N64-M68 WeakPolarHBondContact O-CG 3.33Å; N64-M68 PolarHBondContact O-N 3.11Å; D65-M68 PolarHBondContact O-N 3.05Å; M68-L70 VanDerWaalsContact C-N 3.35Å; M68-L70 PolarHBondContact O-N 2.85Å; M68-L71 PolarHBondContact O-N 3.19Å; M68-L71 HydrophobicContact SD-CD1 4.16Å; M68-I72 WeakPolarHBondContact O-CD1 3.38Å; M68-I72 WeakPolarHBondContact O-CG1 3.47Å; M68-I72 PolarHBondContact O-N 3.29Å
69E98.6Very high96.3Very high9 Ų943.2 Ų43.24%0.04224%0.243CC..Hα-helixtrans-58.1-46.4175.3-171.5177-109.900111.6S10 T32 T40 V42 Q57 D65 L71 I72 M73S10-E69 VanDerWaalsContact CB-OE2 3.27Å; S10-E69 WeakPolarHBondContact CB-OE2 3.31Å; S10-E69 PolarHBondContact N-OE2 3.49Å; S10-E69 VanDerWaalsContact OG-CD 3.27Å; S10-E69 PolarHBondContact OG-OE1 3.33Å; S10-E69 PolarHBondContact OG-OE2 2.71Å; T32-E69 WeakPolarHBondContact CB-OE1 3.42Å; T32-E69 HydrophobicContact CG2-CG 4.49Å; T40-E69 HydrophobicContact CG2-CB 3.87Å; T40-E69 HydrophobicContact CG2-CG 3.93Å; V42-E69 HydrophobicContact CG2-CG 4.13Å; Q57-E69 PolarHBondContact NE2-OE2 3.27Å; D65-E69 WeakPolarHBondContact O-CB 3.39Å; D65-E69 PolarHBondContact O-N 2.92Å; E69-L71 PolarHBondContact O-N 3.14Å; E69-I72 PolarHBondContact O-N 3.42Å; E69-M73 HydrophobicContact CG-SD 4.26Å; E69-M73 VanDerWaalsContact O-CG 3.32Å; E69-M73 WeakPolarHBondContact O-CG 3.34Å; E69-M73 PolarHBondContact O-N 3.31Å
70L98.6Very high97.1Very high3 Ų344.3 Ų44.32%0.01625%0.252CS..Hα-helixtrans-59.6-47.2176.5175.260.6000111.8I55 Q57 N66 L67 M68 I72 M73 I74 A87 I89 L116I55-L70 HydrophobicContact CB-CD1 4.11Å; I55-L70 HydrophobicContact CG2-CD1 3.59Å; Q57-L70 HydrophobicContact CB-CB 4.12Å; Q57-L70 HydrophobicContact CB-CD1 3.96Å; Q57-L70 HydrophobicContact CB-CD2 4.2Å; Q57-L70 HydrophobicContact CB-CG 4.31Å; Q57-L70 HydrophobicContact CG-CB 4.03Å; N66-L70 WeakPolarHBondContact O-CB 3.48Å; N66-L70 PolarHBondContact O-N 3.43Å; L67-L70 PolarHBondContact O-N 3.46Å; M68-L70 VanDerWaalsContact C-N 3.35Å; M68-L70 PolarHBondContact O-N 2.85Å; L70-I72 VanDerWaalsContact C-N 3.3Å; L70-I72 PolarHBondContact O-N 3.25Å; L70-M73 PolarHBondContact O-N 3.11Å; L70-I74 HydrophobicContact CD1-CD1 3.8Å; L70-I74 HydrophobicContact CD1-CG1 4.06Å; L70-I74 HydrophobicContact CG-CD1 3.75Å; L70-I74 HydrophobicContact CG-CG1 4.44Å; L70-I74 VanDerWaalsContact O-CG1 3.24Å; L70-I74 WeakPolarHBondContact O-CG1 3.29Å; L70-I74 PolarHBondContact O-N 3.46Å; L70-A87 HydrophobicContact CD1-CB 4.46Å; L70-I89 HydrophobicContact CD2-CD1 3.82Å; L70-I89 HydrophobicContact CD2-CG1 3.97Å; L70-L116 HydrophobicContact CD2-CD2 3.75Å; L70-L116 HydrophobicContact CG-CD2 4.18Å
71L98.8Very high97.8Very high18 Ų1846.2 Ų46.29%0.09427%0.265CS..Hα-helixtrans-60.4-41.3178.6-66.7170.6000111.6L67 M68 E69 N75 M115 L116 A119L67-L71 HydrophobicContact CD1-CD1 4.25Å; L67-L71 HydrophobicContact CD1-CG 4.27Å; L67-L71 HydrophobicContact CG-CD1 4.14Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.4Å; L67-L71 PolarHBondContact O-N 2.83Å; M68-L71 PolarHBondContact O-N 3.19Å; M68-L71 HydrophobicContact SD-CD1 4.16Å; E69-L71 PolarHBondContact O-N 3.14Å; L71-N75 WeakPolarHBondContact O-CB 3.3Å; L71-N75 PolarHBondContact O-N 2.9Å; L71-M115 HydrophobicContact CD1-CB 3.98Å; L71-M115 HydrophobicContact CD1-SD 4.31Å; L71-M115 VanDerWaalsContact CD2-C 3.45Å; L71-M115 HydrophobicContact CD2-CB 3.94Å; L71-M115 WeakPolarHBondContact CD2-O 3.24Å; L71-L116 HydrophobicContact CD2-CD2 3.94Å; L71-L116 HydrophobicContact CD2-CG 4.23Å; L71-A119 HydrophobicContact CB-CB 4.39Å; L71-A119 HydrophobicContact CD2-CB 3.76Å
72I98.8Very high98.2Very high51 Ų5143.1 Ų43.126%0.26223%0.231SC..Hα-helixtrans-66.2-44.2177.4-65.1162.7000110.6T40 V42 M68 E69 L70 N75 A76T40-I72 HydrophobicContact CG2-CD1 4.2Å; V42-I72 HydrophobicContact CB-CG2 3.71Å; V42-I72 HydrophobicContact CG2-CB 4.18Å; V42-I72 HydrophobicContact CG2-CG2 3.73Å; M68-I72 WeakPolarHBondContact O-CD1 3.38Å; M68-I72 WeakPolarHBondContact O-CG1 3.47Å; M68-I72 PolarHBondContact O-N 3.29Å; E69-I72 PolarHBondContact O-N 3.42Å; L70-I72 VanDerWaalsContact C-N 3.3Å; L70-I72 PolarHBondContact O-N 3.25Å; I72-N75 PolarHBondContact O-N 2.93Å; I72-A76 VanDerWaalsContact O-CB 3.3Å; I72-A76 WeakPolarHBondContact O-CB 3.43Å; I72-A76 PolarHBondContact O-N 2.9Å
73M98.8Very high98.3Very high0 Ų040.3 Ų40.30%023%0.226CC..Hα-helixtrans-61.7-44.5177-71.7178.27600112.2F7 V30 V42 I55 E69 L70 A76 C77F7-M73 HydrophobicContact CB-CE 3.65Å; F7-M73 HydrophobicContact CG-CE 4.43Å; V30-M73 HydrophobicContact CG1-CE 4.43Å; V30-M73 HydrophobicContact CG2-CE 4.25Å; V42-M73 HydrophobicContact CB-CG 4.45Å; V42-M73 HydrophobicContact CG1-CB 4.49Å; V42-M73 HydrophobicContact CG1-CG 3.57Å; V42-M73 HydrophobicContact CG2-CG 4.07Å; I55-M73 HydrophobicContact CD1-CB 3.91Å; I55-M73 HydrophobicContact CG2-CB 4.26Å; I55-M73 HydrophobicContact CG2-CE 3.75Å; I55-M73 HydrophobicContact CG2-SD 3.97Å; E69-M73 HydrophobicContact CG-SD 4.26Å; E69-M73 VanDerWaalsContact O-CG 3.32Å; E69-M73 WeakPolarHBondContact O-CG 3.34Å; E69-M73 PolarHBondContact O-N 3.31Å; L70-M73 PolarHBondContact O-N 3.11Å; M73-A76 PolarHBondContact O-N 3.45Å; M73-C77 PolarHBondContact O-N 2.98Å; M73-C77 PolarHBondContact O-SG 3.49Å
74I98.9Very high98.4Very high0 Ų041.6 Ų41.60%023%0.228CC..Hα-helixtrans-58.7-52.1176.5-69.3163.6000109.5I55 L70 A76 C77 K78 V85 A87 L116 A119 A121I55-I74 HydrophobicContact CD1-CB 4.38Å; I55-I74 HydrophobicContact CD1-CG1 3.76Å; L70-I74 HydrophobicContact CD1-CD1 3.8Å; L70-I74 HydrophobicContact CD1-CG1 4.06Å; L70-I74 HydrophobicContact CG-CD1 3.75Å; L70-I74 HydrophobicContact CG-CG1 4.44Å; L70-I74 VanDerWaalsContact O-CG1 3.24Å; L70-I74 WeakPolarHBondContact O-CG1 3.29Å; L70-I74 PolarHBondContact O-N 3.46Å; I74-A76 VanDerWaalsContact C-N 3.34Å; I74-A76 PolarHBondContact O-N 3.45Å; I74-C77 PolarHBondContact O-N 2.93Å; I74-K78 WeakPolarHBondContact O-CB 3.47Å; I74-K78 PolarHBondContact O-N 3.43Å; I74-V85 HydrophobicContact CB-CG1 4.33Å; I74-V85 HydrophobicContact CG1-CG1 4.13Å; I74-V85 HydrophobicContact CG2-CG1 4.03Å; I74-A87 HydrophobicContact CD1-CB 4.09Å; I74-L116 HydrophobicContact CD1-CD2 3.71Å; I74-A119 HydrophobicContact CB-CB 4.33Å; I74-A119 HydrophobicContact CG2-CB 4Å; I74-A119 WeakPolarHBondContact CG2-O 3.41Å; I74-A121 HydrophobicContact CD1-CB 4.34Å; I74-A121 HydrophobicContact CG2-CB 4.25Å
75N98.8Very high98.4Very high76 Ų7637.4 Ų37.441%0.40621%0.206SC..Hα-helixtrans-61.8-42.3-179.218073.2000111.8L71 I72 C77 K78 I79 A119L71-N75 WeakPolarHBondContact O-CB 3.3Å; L71-N75 PolarHBondContact O-N 2.9Å; I72-N75 PolarHBondContact O-N 2.93Å; N75-C77 PolarHBondContact O-N 2.79Å; N75-K78 PolarHBondContact O-N 3.1Å; N75-I79 WeakPolarHBondContact O-CG1 3.25Å; N75-I79 PolarHBondContact O-N 3.22Å; N75-A119 WeakPolarHBondContact CA-O 3.46Å
76A98.7Very high98.5Very high21 Ų2135.3 Ų35.317%0.17420%0.195CC..Hα-helixtrans-58.9-45.2176.600000111.7I44 I72 M73 I74 A80I44-A76 HydrophobicContact CG1-CB 3.96Å; I72-A76 VanDerWaalsContact O-CB 3.3Å; I72-A76 WeakPolarHBondContact O-CB 3.43Å; I72-A76 PolarHBondContact O-N 2.9Å; M73-A76 PolarHBondContact O-N 3.45Å; I74-A76 VanDerWaalsContact C-N 3.34Å; I74-A76 PolarHBondContact O-N 3.45Å; A76-A80 WeakPolarHBondContact O-CB 3.43Å; A76-A80 PolarHBondContact O-N 3Å
77C98.6Very high98.5Very high0 Ų034.6 Ų34.60%019%0.191CC..Hα-helixtrans-66.5-38.7176.6-640000112.1V48 V53 M73 I74 N75 A80 S81 S82 V85V48-C77 HydrophobicContact CG2-CB 4.44Å; V53-C77 HydrophobicContact CG1-CB 4.33Å; M73-C77 PolarHBondContact O-N 2.98Å; M73-C77 PolarHBondContact O-SG 3.49Å; I74-C77 PolarHBondContact O-N 2.93Å; N75-C77 PolarHBondContact O-N 2.79Å; C77-A80 PolarHBondContact O-N 3.24Å; C77-S81 PolarHBondContact O-N 3.42Å; C77-S82 VanDerWaalsContact C-OG 3.22Å; C77-S82 WeakPolarHBondContact O-CB 3.37Å; C77-S82 PolarHBondContact O-N 3.46Å; C77-S82 VanDerWaalsContact O-N 3.15Å; C77-S82 PolarHBondContact O-OG 3.24Å; C77-V85 HydrophobicContact CB-CG2 3.96Å
78K98.4Very high98.6Very high72 Ų7234.1 Ų34.131%0.31319%0.188SC..Hα-helixtrans-64.4-50.3-179.6-165.463.5161.3-1710111.5I74 N75 A80 S81 D122I74-K78 WeakPolarHBondContact O-CB 3.47Å; I74-K78 PolarHBondContact O-N 3.43Å; N75-K78 PolarHBondContact O-N 3.1Å; K78-A80 VanDerWaalsContact C-N 3.29Å; K78-A80 PolarHBondContact O-N 2.99Å; K78-S81 PolarHBondContact O-N 2.83Å; K78-D122 IonicContact NZ-OD1 3.97Å; K78-D122 PolarHBondContact NZ-OD1 3.46Å; K78-D122 IonicContact NZ-OD2 3.74Å; K78-D122 PolarHBondContact NZ-OD2 3.22Å
79I98.4Very high98.6Very high123 Ų12329.6 Ų29.663%0.63117%0.166SC*.Hα-helixtrans-71.5-24.6179.470.8-178.6000112.5N75 S81N75-I79 WeakPolarHBondContact O-CG1 3.25Å; N75-I79 PolarHBondContact O-N 3.22Å; I79-S81 PolarHBondContact O-N 3.38Å; I79-S81 VanDerWaalsContact O-N 3.16Å
80A98.3Very high98.6Very high37 Ų3729.2 Ų29.231%0.30616%0.164SC..THydrogen-bonded Turntrans-73.17.2169.200000113.7V48 A76 C77 K78V48-A80 HydrophobicContact CG2-CB 3.62Å; A76-A80 WeakPolarHBondContact O-CB 3.43Å; A76-A80 PolarHBondContact O-N 3Å; C77-A80 PolarHBondContact O-N 3.24Å; K78-A80 VanDerWaalsContact C-N 3.29Å; K78-A80 PolarHBondContact O-N 2.99Å
81S98.1Very high98.5Very high51 Ų5129.2 Ų29.236%0.35717%0.165SC..THydrogen-bonded Turntrans66.736.8175.1-440000114.2R49 G50 C77 K78 I79R49-S81 WeakPolarHBondContact CA-O 3.24Å; R49-S81 PolarHBondContact NH1-OG 3.08Å; G50-S81 PolarHBondContact N-O 2.86Å; C77-S81 PolarHBondContact O-N 3.42Å; K78-S81 PolarHBondContact O-N 2.83Å; I79-S81 PolarHBondContact O-N 3.38Å; I79-S81 VanDerWaalsContact O-N 3.16Å
82S98Very high98.5Very high12 Ų1228.7 Ų28.78%0.08416%0.161CC..  trans-56.3148.8164.252.60000111.5V48 C77 V85V48-S82 VanDerWaalsContact O-CA 3.25Å; V48-S82 WeakPolarHBondContact O-CA 3.2Å; C77-S82 VanDerWaalsContact C-OG 3.22Å; C77-S82 WeakPolarHBondContact O-CB 3.37Å; C77-S82 PolarHBondContact O-N 3.46Å; C77-S82 VanDerWaalsContact O-N 3.15Å; C77-S82 PolarHBondContact O-OG 3.24Å; S82-V85 WeakPolarHBondContact OG-CG2 3.24Å
83S98Very high98.5Very high74 Ų7426.5 Ų26.552%0.51715%0.151SC..SBendtrans-71.3-39.3178-176.80000111.3G50 E51G50-S83 WeakPolarHBondContact O-CB 3.49Å; E51-S83 WeakPolarHBondContact O-CB 3.4Å; E51-S83 PolarHBondContact O-N 2.86Å
84R98.4Very high98.5Very high74 Ų7429.3 Ų29.328%0.27916%0.161SC..EExtended strand (participates in β ladder)trans-153.9142.8-179.1-178.9168.866.3175.91.7109E51 D52 V53 Y54 D122 T303E51-R84 PolarHBondContact O-N 2.83Å; D52-R84 WeakPolarHBondContact OD1-CB 3.49Å; D52-R84 IonicContact OD1-CZ 3.53Å; D52-R84 IonicContact OD1-NE 3.7Å; D52-R84 PolarHBondContact OD1-NE 2.93Å; D52-R84 IonicContact OD1-NH2 3.41Å; D52-R84 PolarHBondContact OD1-NH2 3.4Å; D52-R84 IonicContact OD2-CZ 3.6Å; D52-R84 IonicContact OD2-NE 2.77Å; D52-R84 IonicContact OD2-NH2 2.73Å; D52-R84 PolarHBondContact OD2-NH2 3.21Å; V53-R84 PolarHBondContact N-O 2.79Å; Y54-R84 PolarHBondContact OH-NH2 3.36Å; R84-D122 WeakPolarHBondContact CA-OD2 3.41Å; R84-D122 HydrophobicContact CG-CB 3.86Å; R84-T303 PolarHBondContact NH2-O 3.45Å
85V98.8Very high98.4Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-120.6115.1173.4-173.10000109.9V53 I55 I74 C77 S82 D122 H123V53-V85 WeakPolarHBondContact O-CA 3.49Å; I55-V85 HydrophobicContact CD1-CG1 3.86Å; I74-V85 HydrophobicContact CB-CG1 4.33Å; I74-V85 HydrophobicContact CG1-CG1 4.13Å; I74-V85 HydrophobicContact CG2-CG1 4.03Å; C77-V85 HydrophobicContact CB-CG2 3.96Å; S82-V85 WeakPolarHBondContact OG-CG2 3.24Å; V85-D122 PolarHBondContact N-OD2 2.94Å; V85-D122 PolarHBondContact O-N 3.4Å; V85-H123 PolarHBondContact O-N 2.86Å
86T98.9Very high98.2Very high0 Ų030.8 Ų30.80%016%0.163CC..EExtended strand (participates in β ladder)trans-103.6122.2174.7-56.40000109.9V53 Y54 I55 V88 H123 I125V53-T86 PolarHBondContact O-N 2.93Å; Y54-T86 WeakPolarHBondContact CA-O 3.42Å; Y54-T86 HydrophobicContact CD1-CG2 3.75Å; Y54-T86 HydrophobicContact CE1-CG2 3.85Å; I55-T86 PolarHBondContact N-O 3.29Å; T86-V88 HydrophobicContact CG2-CG2 4.37Å; T86-H123 CarbonylContact C-O 3.51Å; T86-H123 VanDerWaalsContact CA-O 3.31Å; T86-H123 WeakPolarHBondContact CA-O 3.32Å; T86-H123 HydrophobicContact CG2-CB 4Å; T86-I125 HydrophobicContact CG2-CD1 3.88Å; T86-I125 HydrophobicContact CG2-CG1 3.84Å
87A98.8Very high98.1Very high0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-87.2117.6171.600000109.5L70 I74 I89 H123 I124 I125L70-A87 HydrophobicContact CD1-CB 4.46Å; I74-A87 HydrophobicContact CD1-CB 4.09Å; A87-I89 HydrophobicContact CB-CD1 4Å; A87-I89 HydrophobicContact CB-CG1 4.03Å; A87-H123 PolarHBondContact N-O 2.97Å; A87-I124 HydrophobicContact CB-CD1 3.81Å; A87-I124 WeakPolarHBondContact O-CA 3.15Å; A87-I125 PolarHBondContact O-N 2.91Å
88V98.8Very high97.9Very high0 Ų034.8 Ų34.80%018%0.178CC..EExtended strand (participates in β ladder)trans-98.7105.2175.8-175.10000107.6Y54 I55 V56 Q57 T86 P90 I125 L296 I300Y54-V88 HydrophobicContact CD1-CG2 4.07Å; I55-V88 PolarHBondContact O-N 2.84Å; V56-V88 WeakPolarHBondContact CA-O 3.38Å; V56-V88 HydrophobicContact CG2-CB 4.05Å; V56-V88 HydrophobicContact CG2-CG1 4.27Å; Q57-V88 PolarHBondContact N-O 3.07Å; T86-V88 HydrophobicContact CG2-CG2 4.37Å; V88-P90 WeakPolarHBondContact O-CD 3.35Å; V88-I125 CarbonylContact C-O 3.58Å; V88-I125 WeakPolarHBondContact CA-O 3.4Å; V88-I125 HydrophobicContact CG1-CB 4.44Å; V88-I125 HydrophobicContact CG1-CG2 4.43Å; V88-I125 HydrophobicContact CG2-CB 4.32Å; V88-I125 HydrophobicContact CG2-CD1 4.41Å; V88-L296 HydrophobicContact CG1-CD2 4.28Å; V88-I300 HydrophobicContact CG2-CD1 4.09Å; V88-I300 HydrophobicContact CG2-CG1 4.17Å
89I98.6Very high97.7Very high1 Ų136.7 Ų36.71%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-121.184.2-170.1-48175.3000109.5Q57 L70 A87 C91 F92 L116 I124 I125 T126Q57-I89 WeakPolarHBondContact O-CA 3.26Å; Q57-I89 WeakPolarHBondContact O-CG2 3.31Å; L70-I89 HydrophobicContact CD2-CD1 3.82Å; L70-I89 HydrophobicContact CD2-CG1 3.97Å; A87-I89 HydrophobicContact CB-CD1 4Å; A87-I89 HydrophobicContact CB-CG1 4.03Å; I89-C91 PolarHBondContact O-N 2.93Å; I89-F92 HydrophobicContact CD1-CD2 4.35Å; I89-F92 HydrophobicContact CD1-CE2 4.29Å; I89-F92 HydrophobicContact CG2-CD2 4.32Å; I89-L116 HydrophobicContact CD1-CD1 3.7Å; I89-L116 HydrophobicContact CD1-CD2 4.16Å; I89-I124 HydrophobicContact CD1-CG2 4.4Å; I89-I125 PolarHBondContact N-O 2.91Å; I89-T126 WeakPolarHBondContact O-CA 3.25Å; I89-T126 VanDerWaalsContact O-CB 3.29Å; I89-T126 WeakPolarHBondContact O-CB 3.2Å; I89-T126 PolarHBondContact O-OG1 3.27Å
90P98.4Very high97.3Very high0 Ų036.8 Ų36.80%018%0.182CC..SBendtrans-57-42.9-173.3-26.234000113.8L15 V88 M127 H250 T274 L296L15-P90 HydrophobicContact CD2-CB 4.21Å; L15-P90 HydrophobicContact CD2-CG 3.68Å; V88-P90 WeakPolarHBondContact O-CD 3.35Å; P90-M127 WeakPolarHBondContact O-CB 3.37Å; P90-H250 PolarHBondContact O-CE1 2.97Å; P90-T274 HydrophobicContact CB-CG2 3.83Å; P90-L296 HydrophobicContact CB-CD1 4.44Å; P90-L296 HydrophobicContact CG-CD1 3.91Å
91C98.4Very high96.3Very high4 Ų440.6 Ų40.63%0.02720%0.198CC..SBendtrans-114.9112.8168.8178.50000109.4S58 G59 I89 I275S58-C91 WeakPolarHBondContact OG-CB 3.19Å; S58-C91 PolarHBondContact OG-N 3.27Å; G59-C91 WeakPolarHBondContact CA-O 3.37Å; G59-C91 PolarHBondContact N-O 2.78Å; I89-C91 PolarHBondContact O-N 2.93Å; C91-I275 HydrophobicContact CB-CD1 4.13Å; C91-I275 HydrophobicContact CB-CG1 3.96Å
92F98.5Very high95Very high7 Ų747 Ų473%0.03122%0.219CC..  trans-70.4125.5-175.1-166.3-92.5000112.2I89 A95 V112 L116 L129 I134 F138I89-F92 HydrophobicContact CD1-CD2 4.35Å; I89-F92 HydrophobicContact CD1-CE2 4.29Å; I89-F92 HydrophobicContact CG2-CD2 4.32Å; F92-A95 HydrophobicContact CB-CB 4.34Å; F92-A95 HydrophobicContact CD1-CB 4.2Å; F92-A95 WeakPolarHBondContact O-CB 3.44Å; F92-V112 HydrophobicContact CE1-CB 4.4Å; F92-V112 HydrophobicContact CE1-CG1 3.94Å; F92-V112 HydrophobicContact CE2-CG1 4.49Å; F92-V112 HydrophobicContact CZ-CB 4.42Å; F92-V112 HydrophobicContact CZ-CG1 3.7Å; F92-L116 HydrophobicContact CE2-CD1 3.98Å; F92-L116 HydrophobicContact CZ-CD1 4.24Å; F92-L129 HydrophobicContact CB-CD2 3.55Å; F92-L129 HydrophobicContact CD1-CD2 4.24Å; F92-L129 HydrophobicContact CD2-CD2 4.19Å; F92-L129 HydrophobicContact CG-CD2 3.74Å; F92-I134 HydrophobicContact CD1-CG2 4.32Å; F92-I134 HydrophobicContact CE1-CG2 4.05Å; F92-I134 HydrophobicContact CZ-CG2 4.35Å; F92-F138 AromaticContact CE2-CE2 3.98Å; F92-F138 HydrophobicContact CE2-CE2 3.98Å; F92-F138 AromaticContact CE2-CZ 3.71Å; F92-F138 HydrophobicContact CE2-CZ 3.71Å; F92-F138 AromaticContact CZ-CE2 3.89Å; F92-F138 HydrophobicContact CZ-CE2 3.89Å; F92-F138 AromaticContact CZ-CZ 3.7Å; F92-F138 HydrophobicContact CZ-CZ 3.7Å
93P98.2Very high94Very high5 Ų551.3 Ų51.33%0.03225%0.25CC..THydrogen-bonded Turntrans-69.7144.7-176.327.1-31.6000111.3I63 L67 A95 V112I63-P93 HydrophobicContact CD1-CB 3.73Å; I63-P93 HydrophobicContact CG1-CB 3.8Å; L67-P93 HydrophobicContact CD1-CG 4.24Å; P93-A95 PolarHBondContact O-N 2.8Å; P93-A95 VanDerWaalsContact O-N 3.13Å; P93-V112 HydrophobicContact CG-CG1 3.96Å
94Y97.9Very high93.5Very high58 Ų5858.8 Ų58.823%0.22727%0.266CS..THydrogen-bonded Turntrans60.215.5-179.1-63.2-90.8000115.9I63 N64 L67 R96 Q97 V112I63-Y94 HydrophobicContact CD1-CD2 4.1Å; I63-Y94 HydrophobicContact CD1-CE2 3.94Å; I63-Y94 HydrophobicContact CG1-CE2 4.13Å; I63-Y94 HydrophobicContact CG2-CE2 4.43Å; N64-Y94 PolarHBondContact OD1-OH 3.36Å; L67-Y94 HydrophobicContact CD2-CE2 4.3Å; Y94-R96 PolarHBondContact O-N 3.13Å; Y94-R96 VanDerWaalsContact O-N 3.09Å; Y94-Q97 WeakPolarHBondContact O-CB 3.31Å; Y94-Q97 PolarHBondContact O-N 3.28Å; Y94-V112 HydrophobicContact CD2-CG2 3.69Å; Y94-V112 HydrophobicContact CG-CG2 4.17Å
95A97.3Very high93.3Very high5 Ų557.1 Ų57.14%0.04127%0.268CS..THydrogen-bonded Turntrans-57.1-29.6-174.700000114.8F92 P93 Q97 H130 I134F92-A95 HydrophobicContact CB-CB 4.34Å; F92-A95 HydrophobicContact CD1-CB 4.2Å; F92-A95 WeakPolarHBondContact O-CB 3.44Å; P93-A95 PolarHBondContact O-N 2.8Å; P93-A95 VanDerWaalsContact O-N 3.13Å; A95-Q97 PolarHBondContact O-N 3.43Å; A95-H130 HydrophobicContact CB-CB 3.71Å; A95-I134 HydrophobicContact CB-CD1 3.93Å
96R94.8Very high93.2Very high103 Ų10361 Ų6139%0.38929%0.294SS..THydrogen-bonded Turntrans-71.7-8.9174.8-64.4-177.8-177.3159.52.6114.4Y94 M222 D224Y94-R96 PolarHBondContact O-N 3.13Å; Y94-R96 VanDerWaalsContact O-N 3.09Å; R96-M222 HydrophobicContact CG-SD 3.86Å; R96-M222 VanDerWaalsContact CZ-SD 3.56Å; R96-M222 PolarHBondContact NE-SD 3.29Å; R96-M222 VanDerWaalsContact NH2-CG 3.29Å; R96-M222 PolarHBondContact NH2-O 3.08Å; R96-M222 PolarHBondContact NH2-SD 3.38Å; R96-D224 IonicContact NH1-OD2 3.96Å
97Q95.8Very high93.1Very high81 Ų8164 Ų6438%0.37931%0.309SS..  trans-106.649.9179.3-60-177.528.200110.1Y94 A95 I107 S108 A109Y94-Q97 WeakPolarHBondContact O-CB 3.31Å; Y94-Q97 PolarHBondContact O-N 3.28Å; A95-Q97 PolarHBondContact O-N 3.43Å; Q97-I107 CarbonylContact O-C 3.59Å; Q97-I107 WeakPolarHBondContact O-CA 3.47Å; Q97-S108 PolarHBondContact O-N 3.19Å; Q97-S108 PolarHBondContact OE1-OG 2.91Å; Q97-A109 PolarHBondContact O-N 2.94Å; Q97-A109 VanDerWaalsContact O-N 3.11Å
98D95.6Very high93.1Very high24 Ų2464.7 Ų64.713%0.12831%0.314CS..SBendtrans-90.1-12.1-175.966.2-46000113.7I107 A109 A131 I134 F137D98-I107 WeakPolarHBondContact O-CG2 3.47Å; D98-A109 HydrophobicContact CB-CB 4.45Å; D98-A131 HydrophobicContact CB-CB 4.39Å; D98-A131 VanDerWaalsContact OD2-CB 3.24Å; D98-A131 WeakPolarHBondContact OD2-CB 3.4Å; D98-I134 HydrophobicContact CB-CD1 4.27Å; D98-I134 HydrophobicContact CB-CG1 4.12Å; D98-F137 HydrophobicContact CB-CE2 4.29Å; D98-F137 HydrophobicContact CB-CZ 4.43Å; D98-F137 WeakPolarHBondContact O-CZ 3.39Å
99K93.2Very high93Very high112 Ų11264.7 Ų64.749%0.48731%0.314SS..SBendtrans-147.8164.5-178.959.6-172.3164157.60110.7D101K99-D101 VanDerWaalsContact C-N 3.34Å; K99-D101 WeakPolarHBondContact CD-OD1 3.4Å; K99-D101 WeakPolarHBondContact CE-OD1 3.22Å; K99-D101 WeakPolarHBondContact CG-OD1 3.27Å; K99-D101 IonicContact NZ-OD1 2.79Å; K99-D101 PolarHBondContact NZ-OD1 3.24Å; K99-D101 PolarHBondContact O-N 3.29Å
100K91.1Very high93Very high124 Ų12468.1 Ų68.154%0.53933%0.328SS..  trans-72.1-25.6-179.3-70.2-173.2173.1176.90113.5K102 A105 I107K100-K102 PolarHBondContact O-N 2.75Å; K100-A105 WeakPolarHBondContact O-CB 3.34Å; K100-I107 HydrophobicContact CG-CD1 4.19Å; K100-I107 HydrophobicContact CG-CG1 3.99Å
101D77.7Confident93Very high117 Ų11772.8 Ų72.863%0.62635%0.353SS*.SBendtrans51-51.2-172-82.3-23.8000116.1K99K99-D101 VanDerWaalsContact C-N 3.34Å; K99-D101 WeakPolarHBondContact CD-OD1 3.4Å; K99-D101 WeakPolarHBondContact CE-OD1 3.22Å; K99-D101 WeakPolarHBondContact CG-OD1 3.27Å; K99-D101 IonicContact NZ-OD1 2.79Å; K99-D101 PolarHBondContact NZ-OD1 3.24Å; K99-D101 PolarHBondContact O-N 3.29Å
102K70.5Confident93Very high185 Ų18572.7 Ų72.780%0.80435%0.352SS*.SBendtrans-146.1152.9165.5-64.9-173.9179.8175.10111.3K100K100-K102 PolarHBondContact O-N 2.75Å
103S75.7Confident93.1Very high104 Ų10472.4 Ų72.473%0.72735%0.351SS*.THydrogen-bonded Turntrans-53141.7-160.4-169.40000117.4
104R89.3Confident93.1Very high231 Ų23175.9 Ų75.987%0.87237%0.37SS*.THydrogen-bonded Turntrans74.218.3-180-59.7-179.3-70-108.4-1.7117.9
105A93.6Very high93.1Very high38 Ų3875.8 Ų75.831%0.31437%0.372SS..  trans-82.2151.9166.200000112.5K100K100-A105 WeakPolarHBondContact O-CB 3.34Å
106P95.4Very high93.2Very high83 Ų8375.5 Ų75.554%0.53937%0.37SS..  trans-72.8158.7168.832.9-35.4000111.3S108P106-S108 WeakPolarHBondContact CG-OG 3.31Å
107I97.6Very high93.4Very high61 Ų6172.5 Ų72.531%0.31336%0.364SS..  trans-103.477.7162.8-57.8171.1000106.2Q97 D98 K100 A109 K110 L111 F137Q97-I107 CarbonylContact O-C 3.59Å; Q97-I107 WeakPolarHBondContact O-CA 3.47Å; D98-I107 WeakPolarHBondContact O-CG2 3.47Å; K100-I107 HydrophobicContact CG-CD1 4.19Å; K100-I107 HydrophobicContact CG-CG1 3.99Å; I107-A109 VanDerWaalsContact C-N 3.27Å; I107-A109 PolarHBondContact O-N 3Å; I107-K110 HydrophobicContact CB-CB 4.25Å; I107-K110 HydrophobicContact CG2-CB 3.65Å; I107-K110 PolarHBondContact O-N 3.32Å; I107-K110 VanDerWaalsContact O-N 3.07Å; I107-L111 PolarHBondContact O-N 2.7Å; I107-L111 VanDerWaalsContact O-N 3.12Å; I107-F137 HydrophobicContact CG2-CE2 4.06Å; I107-F137 HydrophobicContact CG2-CZ 3.99Å
108S98Very high93.5Very high15 Ų1574.7 Ų74.711%0.10538%0.383CS..Hα-helixtrans-65.6-30.5-170.6-53.50000112.2Q97 P106 K110 L111 V112Q97-S108 PolarHBondContact O-N 3.19Å; Q97-S108 PolarHBondContact OE1-OG 2.91Å; P106-S108 WeakPolarHBondContact CG-OG 3.31Å; S108-K110 VanDerWaalsContact C-N 3.29Å; S108-K110 PolarHBondContact O-N 3.13Å; S108-L111 WeakPolarHBondContact O-CB 3.42Å; S108-L111 PolarHBondContact O-N 3.35Å; S108-L111 VanDerWaalsContact O-N 3.15Å; S108-V112 VanDerWaalsContact O-CG2 3.28Å; S108-V112 WeakPolarHBondContact O-CG2 3.4Å; S108-V112 PolarHBondContact O-N 3.35Å
109A98.1Very high93.7Very high0 Ų074.1 Ų74.10%038%0.382CS..Hα-helixtrans-60.9-37.5172.500000112.1Q97 D98 I107 V112 A113 I134 F137Q97-A109 PolarHBondContact O-N 2.94Å; Q97-A109 VanDerWaalsContact O-N 3.11Å; D98-A109 HydrophobicContact CB-CB 4.45Å; I107-A109 VanDerWaalsContact C-N 3.27Å; I107-A109 PolarHBondContact O-N 3Å; A109-V112 PolarHBondContact O-N 3.47Å; A109-A113 PolarHBondContact O-N 3.46Å; A109-I134 HydrophobicContact CB-CD1 4.48Å; A109-I134 HydrophobicContact CB-CG1 4.49Å; A109-F137 HydrophobicContact CB-CD2 4.14Å; A109-F137 HydrophobicContact CB-CE2 3.83Å
110K98.5Very high93.9Very high73 Ų7369.4 Ų69.432%0.31736%0.364SS..Hα-helixtrans-70.5-37.2173.7177.158.1-171.1-113.60111.8I107 S108 A113 N114 F137I107-K110 HydrophobicContact CB-CB 4.25Å; I107-K110 HydrophobicContact CG2-CB 3.65Å; I107-K110 PolarHBondContact O-N 3.32Å; I107-K110 VanDerWaalsContact O-N 3.07Å; S108-K110 VanDerWaalsContact C-N 3.29Å; S108-K110 PolarHBondContact O-N 3.13Å; K110-A113 PolarHBondContact O-N 3.45Å; K110-N114 WeakPolarHBondContact CE-OD1 3.5Å; K110-N114 VanDerWaalsContact O-CG 3.28Å; K110-N114 PolarHBondContact O-N 3.14Å; K110-F137 HydrophobicContact CB-CD1 4.41Å; K110-F137 HydrophobicContact CB-CD2 3.85Å; K110-F137 HydrophobicContact CB-CE2 4.1Å; K110-F137 HydrophobicContact CB-CG 4.02Å; K110-F137 HydrophobicContact CB-CZ 4.49Å; K110-F137 HydrophobicContact CD-CB 3.6Å; K110-F137 HydrophobicContact CD-CD1 4.1Å; K110-F137 HydrophobicContact CD-CD2 4.45Å; K110-F137 HydrophobicContact CD-CG 3.81Å; K110-F137 WeakPolarHBondContact CE-O 3.33Å; K110-F137 HydrophobicContact CG-CG 4.47Å; K110-F137 PolarHBondContact NZ-O 3.18Å
111L98.7Very high94.3Very high98 Ų9863.7 Ų63.751%0.51334%0.34SS..Hα-helixtrans-60.7-46.2173.317762.3000111I107 S108 A113 N114 M115I107-L111 PolarHBondContact O-N 2.7Å; I107-L111 VanDerWaalsContact O-N 3.12Å; S108-L111 WeakPolarHBondContact O-CB 3.42Å; S108-L111 PolarHBondContact O-N 3.35Å; S108-L111 VanDerWaalsContact O-N 3.15Å; L111-A113 PolarHBondContact O-N 3.01Å; L111-N114 WeakPolarHBondContact O-CB 3.39Å; L111-N114 PolarHBondContact O-N 2.95Å; L111-M115 HydrophobicContact CD1-CG 4.42Å; L111-M115 HydrophobicContact CG-CE 4.18Å; L111-M115 HydrophobicContact CG-SD 4.45Å; L111-M115 WeakPolarHBondContact O-CG 3.29Å; L111-M115 PolarHBondContact O-N 3.46Å
112V98.7Very high95.3Very high3 Ų360.9 Ų60.92%0.01833%0.326CS..Hα-helixtrans-58.7-46.1174.8170.90000111.3L67 F92 P93 Y94 S108 A109 N114 M115 L116L67-V112 HydrophobicContact CD1-CG1 4.11Å; L67-V112 HydrophobicContact CD2-CG2 3.9Å; F92-V112 HydrophobicContact CE1-CB 4.4Å; F92-V112 HydrophobicContact CE1-CG1 3.94Å; F92-V112 HydrophobicContact CE2-CG1 4.49Å; F92-V112 HydrophobicContact CZ-CB 4.42Å; F92-V112 HydrophobicContact CZ-CG1 3.7Å; P93-V112 HydrophobicContact CG-CG1 3.96Å; Y94-V112 HydrophobicContact CD2-CG2 3.69Å; Y94-V112 HydrophobicContact CG-CG2 4.17Å; S108-V112 VanDerWaalsContact O-CG2 3.28Å; S108-V112 WeakPolarHBondContact O-CG2 3.4Å; S108-V112 PolarHBondContact O-N 3.35Å; A109-V112 PolarHBondContact O-N 3.47Å; V112-N114 VanDerWaalsContact C-N 3.31Å; V112-N114 PolarHBondContact O-N 2.93Å; V112-M115 HydrophobicContact CB-CE 4.46Å; V112-M115 HydrophobicContact CG2-CE 4.06Å; V112-M115 PolarHBondContact O-N 2.9Å; V112-M115 VanDerWaalsContact O-N 3.16Å; V112-L116 HydrophobicContact CG1-CD1 3.94Å; V112-L116 HydrophobicContact CG1-CG 4.5Å; V112-L116 WeakPolarHBondContact O-CG 3.45Å; V112-L116 PolarHBondContact O-N 2.88Å
113A98.8Very high96.6Very high0 Ų052.8 Ų52.80%029%0.29CS..Hα-helixtrans-58.2-43.4176.600000112.4A109 K110 L111 L116 S117 F137 F138A109-A113 PolarHBondContact O-N 3.46Å; K110-A113 PolarHBondContact O-N 3.45Å; L111-A113 PolarHBondContact O-N 3.01Å; A113-L116 PolarHBondContact O-N 3.48Å; A113-S117 WeakPolarHBondContact O-CB 3.49Å; A113-S117 PolarHBondContact O-N 3.5Å; A113-S117 PolarHBondContact O-OG 3.02Å; A113-F137 HydrophobicContact CB-CB 3.72Å; A113-F138 VanDerWaalsContact CA-CE1 3.45Å; A113-F138 VanDerWaalsContact CA-CZ 3.43Å; A113-F138 HydrophobicContact CB-CD1 3.97Å; A113-F138 HydrophobicContact CB-CD2 3.89Å; A113-F138 HydrophobicContact CB-CE1 3.62Å; A113-F138 HydrophobicContact CB-CE2 3.52Å; A113-F138 HydrophobicContact CB-CG 4.11Å; A113-F138 HydrophobicContact CB-CZ 3.39Å
114N98.8Very high97.7Very high79 Ų7947.8 Ų47.842%0.42226%0.256SS..Hα-helixtrans-63-42.7175.2-71.2-11.2000112.1K110 L111 V112 S117 V118K110-N114 WeakPolarHBondContact CE-OD1 3.5Å; K110-N114 VanDerWaalsContact O-CG 3.28Å; K110-N114 PolarHBondContact O-N 3.14Å; L111-N114 WeakPolarHBondContact O-CB 3.39Å; L111-N114 PolarHBondContact O-N 2.95Å; V112-N114 VanDerWaalsContact C-N 3.31Å; V112-N114 PolarHBondContact O-N 2.93Å; N114-S117 PolarHBondContact O-N 3.47Å; N114-V118 WeakPolarHBondContact O-CG1 3.34Å; N114-V118 PolarHBondContact O-N 3.27Å
115M98.8Very high98.2Very high55 Ų5536.8 Ų36.827%0.27121%0.214SC..Hα-helixtrans-63.2-44.6178.9-71.5-172.2-59.700111.6L67 L71 L111 V112 S117 V118 A119L67-M115 HydrophobicContact CD2-CE 3.74Å; L71-M115 HydrophobicContact CD1-CB 3.98Å; L71-M115 HydrophobicContact CD1-SD 4.31Å; L71-M115 VanDerWaalsContact CD2-C 3.45Å; L71-M115 HydrophobicContact CD2-CB 3.94Å; L71-M115 WeakPolarHBondContact CD2-O 3.24Å; L111-M115 HydrophobicContact CD1-CG 4.42Å; L111-M115 HydrophobicContact CG-CE 4.18Å; L111-M115 HydrophobicContact CG-SD 4.45Å; L111-M115 WeakPolarHBondContact O-CG 3.29Å; L111-M115 PolarHBondContact O-N 3.46Å; V112-M115 HydrophobicContact CB-CE 4.46Å; V112-M115 HydrophobicContact CG2-CE 4.06Å; V112-M115 PolarHBondContact O-N 2.9Å; V112-M115 VanDerWaalsContact O-N 3.16Å; M115-S117 VanDerWaalsContact C-N 3.34Å; M115-S117 PolarHBondContact O-N 2.83Å; M115-V118 WeakPolarHBondContact O-CG1 3.39Å; M115-V118 PolarHBondContact O-N 3.31Å; M115-A119 VanDerWaalsContact O-CB 3.27Å; M115-A119 WeakPolarHBondContact O-CB 3.3Å; M115-A119 PolarHBondContact O-N 3.39Å
116L98.8Very high98.4Very high0 Ų035 Ų350%020%0.2CC..Hα-helixtrans-61.8-42.7175.7-72.1165.1000111.7L70 L71 I74 I89 F92 V112 A113 A119 G120 A121 I124 F138L70-L116 HydrophobicContact CD2-CD2 3.75Å; L70-L116 HydrophobicContact CG-CD2 4.18Å; L71-L116 HydrophobicContact CD2-CD2 3.94Å; L71-L116 HydrophobicContact CD2-CG 4.23Å; I74-L116 HydrophobicContact CD1-CD2 3.71Å; I89-L116 HydrophobicContact CD1-CD1 3.7Å; I89-L116 HydrophobicContact CD1-CD2 4.16Å; F92-L116 HydrophobicContact CE2-CD1 3.98Å; F92-L116 HydrophobicContact CZ-CD1 4.24Å; V112-L116 HydrophobicContact CG1-CD1 3.94Å; V112-L116 HydrophobicContact CG1-CG 4.5Å; V112-L116 WeakPolarHBondContact O-CG 3.45Å; V112-L116 PolarHBondContact O-N 2.88Å; A113-L116 PolarHBondContact O-N 3.48Å; L116-A119 PolarHBondContact O-N 2.84Å; L116-G120 PolarHBondContact O-N 3.4Å; L116-A121 WeakPolarHBondContact O-CB 3.36Å; L116-A121 PolarHBondContact O-N 3.44Å; L116-I124 HydrophobicContact CD1-CD1 4.35Å; L116-F138 HydrophobicContact CB-CE1 4.1Å; L116-F138 HydrophobicContact CD1-CE1 4.1Å; L116-F138 HydrophobicContact CD1-CZ 3.94Å
117S98.6Very high98.6Very high40 Ų4031.1 Ų31.128%0.2817%0.174SC..Hα-helixtrans-64-47.7178.9-55.30000111.5A113 N114 M115 G120A113-S117 WeakPolarHBondContact O-CB 3.49Å; A113-S117 PolarHBondContact O-N 3.5Å; A113-S117 PolarHBondContact O-OG 3.02Å; N114-S117 PolarHBondContact O-N 3.47Å; M115-S117 VanDerWaalsContact C-N 3.34Å; M115-S117 PolarHBondContact O-N 2.83Å; S117-G120 PolarHBondContact O-N 2.78Å; S117-G120 VanDerWaalsContact O-N 3.14Å
118V98.7Very high98.6Very high127 Ų12729.2 Ų29.277%0.7716%0.164SC*.Hα-helixtrans-72.8-27.2-179.374.80000113N114 M115 G120N114-V118 WeakPolarHBondContact O-CG1 3.34Å; N114-V118 PolarHBondContact O-N 3.27Å; M115-V118 WeakPolarHBondContact O-CG1 3.39Å; M115-V118 PolarHBondContact O-N 3.31Å; V118-G120 PolarHBondContact O-N 3.06Å
119A98.7Very high98.6Very high12 Ų1229.2 Ų29.210%0.09916%0.163CC..Hα-helixtrans-65.2-20.1171.100000112.5L71 I74 N75 M115 L116L71-A119 HydrophobicContact CB-CB 4.39Å; L71-A119 HydrophobicContact CD2-CB 3.76Å; I74-A119 HydrophobicContact CB-CB 4.33Å; I74-A119 HydrophobicContact CG2-CB 4Å; I74-A119 WeakPolarHBondContact CG2-O 3.41Å; N75-A119 WeakPolarHBondContact CA-O 3.46Å; M115-A119 VanDerWaalsContact O-CB 3.27Å; M115-A119 WeakPolarHBondContact O-CB 3.3Å; M115-A119 PolarHBondContact O-N 3.39Å; L116-A119 PolarHBondContact O-N 2.84Å
120G98.6Very high98.5Very high12 Ų1232.3 Ų32.312%0.12418%0.177CC..THydrogen-bonded Turntrans109.121.5173.200000115L116 S117 V118L116-G120 PolarHBondContact O-N 3.4Å; S117-G120 PolarHBondContact O-N 2.78Å; S117-G120 VanDerWaalsContact O-N 3.14Å; V118-G120 PolarHBondContact O-N 3.06Å
121A98.8Very high98.3Very high4 Ų429.4 Ų29.43%0.03317%0.167CC..  trans-65.9134.517000000110.3I74 L116 I124 I140I74-A121 HydrophobicContact CD1-CB 4.34Å; I74-A121 HydrophobicContact CG2-CB 4.25Å; L116-A121 WeakPolarHBondContact O-CB 3.36Å; L116-A121 PolarHBondContact O-N 3.44Å; A121-I124 HydrophobicContact CB-CD1 4.2Å; A121-I140 HydrophobicContact CB-CD1 4.13Å; A121-I140 WeakPolarHBondContact O-CD1 3.43Å
122D98.8Very high98.1Very high59 Ų5927.7 Ų27.732%0.31616%0.164SC..SBendtrans-101.1-19.7178.8-59.2-67.3000111.9K78 R84 V85K78-D122 IonicContact NZ-OD1 3.97Å; K78-D122 PolarHBondContact NZ-OD1 3.46Å; K78-D122 IonicContact NZ-OD2 3.74Å; K78-D122 PolarHBondContact NZ-OD2 3.22Å; R84-D122 WeakPolarHBondContact CA-OD2 3.41Å; R84-D122 HydrophobicContact CG-CB 3.86Å; V85-D122 PolarHBondContact N-OD2 2.94Å; V85-D122 PolarHBondContact O-N 3.4Å
123H98.8Very high98.1Very high14 Ų1433.4 Ų33.47%0.06519%0.19CC..EExtended strand (participates in β ladder)trans-154.2146.6-179.2-170.3-173.2000110.5V85 T86 A87 A141 D143 T303V85-H123 PolarHBondContact O-N 2.86Å; T86-H123 CarbonylContact C-O 3.51Å; T86-H123 VanDerWaalsContact CA-O 3.31Å; T86-H123 WeakPolarHBondContact CA-O 3.32Å; T86-H123 HydrophobicContact CG2-CB 4Å; A87-H123 PolarHBondContact N-O 2.97Å; H123-A141 PolarHBondContact CD2-O 3.35Å; H123-A141 VanDerWaalsContact CD2-O 3.25Å; H123-D143 IonicContact CE1-OD2 3.81Å; H123-D143 PolarHBondContact CE1-OD2 2.92Å; H123-D143 IonicContact NE2-OD2 2.76Å; H123-D143 PolarHBondContact NE2-OD2 2.83Å; H123-T303 VanDerWaalsContact CE1-CG2 3.49Å; H123-T303 WeakPolarHBondContact CE1-CG2 3.49Å; H123-T303 VanDerWaalsContact ND1-CG2 3.27Å; H123-T303 WeakPolarHBondContact ND1-CG2 3.36Å
124I98.8Very high98.1Very high0 Ų033.5 Ų33.50%019%0.19CC..EExtended strand (participates in β ladder)trans-115.8132.1170.9-51.4-60.9000110A87 I89 L116 A121 F138 I140 A141 V142 D143A87-I124 HydrophobicContact CB-CD1 3.81Å; A87-I124 WeakPolarHBondContact O-CA 3.15Å; I89-I124 HydrophobicContact CD1-CG2 4.4Å; L116-I124 HydrophobicContact CD1-CD1 4.35Å; A121-I124 HydrophobicContact CB-CD1 4.2Å; I124-F138 HydrophobicContact CD1-CE1 3.99Å; I124-F138 HydrophobicContact CD1-CZ 4.4Å; I124-F138 HydrophobicContact CG1-CD1 4.05Å; I124-F138 HydrophobicContact CG1-CE1 3.74Å; I124-F138 HydrophobicContact CG1-CZ 4.02Å; I124-I140 HydrophobicContact CD1-CD1 4.05Å; I124-I140 HydrophobicContact CG1-CD1 3.87Å; I124-I140 HydrophobicContact CG1-CG1 4.47Å; I124-A141 PolarHBondContact N-O 2.87Å; I124-A141 VanDerWaalsContact N-O 3.11Å; I124-V142 HydrophobicContact CB-CB 4.45Å; I124-V142 HydrophobicContact CB-CG1 4.15Å; I124-V142 HydrophobicContact CB-CG2 4.13Å; I124-V142 HydrophobicContact CG1-CG2 4.29Å; I124-V142 HydrophobicContact CG2-CG1 4.28Å; I124-V142 CarbonylContact O-C 3.59Å; I124-V142 WeakPolarHBondContact O-CA 3.21Å; I124-D143 PolarHBondContact O-N 3.3Å
125I98.8Very high98Very high0 Ų032.9 Ų32.90%019%0.185CC..EExtended strand (participates in β ladder)trans-112.6125.5163.8-61.4175000107.1Y54 T86 A87 V88 I89 D143 L145 L296 A299 I300Y54-I125 HydrophobicContact CE1-CD1 4.27Å; T86-I125 HydrophobicContact CG2-CD1 3.88Å; T86-I125 HydrophobicContact CG2-CG1 3.84Å; A87-I125 PolarHBondContact O-N 2.91Å; V88-I125 CarbonylContact C-O 3.58Å; V88-I125 WeakPolarHBondContact CA-O 3.4Å; V88-I125 HydrophobicContact CG1-CB 4.44Å; V88-I125 HydrophobicContact CG1-CG2 4.43Å; V88-I125 HydrophobicContact CG2-CB 4.32Å; V88-I125 HydrophobicContact CG2-CD1 4.41Å; I89-I125 PolarHBondContact N-O 2.91Å; I125-D143 HydrophobicContact CG1-CB 4.3Å; I125-L145 HydrophobicContact CG2-CD1 3.64Å; I125-L145 HydrophobicContact CG2-CG 4.22Å; I125-L296 HydrophobicContact CG2-CD2 4.5Å; I125-A299 HydrophobicContact CG2-CB 4.32Å; I125-I300 HydrophobicContact CD1-CG1 4.11Å
126T98.7Very high98Very high1 Ų133.1 Ų33.11%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-141.7174.4-179.9-168.10000110.6I89 L129 V142 D143 N144 L145I89-T126 WeakPolarHBondContact O-CA 3.25Å; I89-T126 VanDerWaalsContact O-CB 3.29Å; I89-T126 WeakPolarHBondContact O-CB 3.2Å; I89-T126 PolarHBondContact O-OG1 3.27Å; T126-L129 HydrophobicContact CG2-CD1 3.84Å; T126-L129 HydrophobicContact CG2-CD2 3.92Å; T126-L129 HydrophobicContact CG2-CG 3.63Å; T126-V142 HydrophobicContact CG2-CG1 4.25Å; T126-D143 PolarHBondContact N-O 3.48Å; T126-N144 HydrophobicContact CG2-CB 4.34Å; T126-L145 VanDerWaalsContact O-CB 3.31Å; T126-L145 WeakPolarHBondContact O-CB 3.35Å; T126-L145 WeakPolarHBondContact O-CG 2.92Å; T126-L145 PolarHBondContact O-N 3.19Å
127M98.4Very high98Very high0 Ų034.9 Ų34.90%021%0.21CC..EExtended strand (participates in β ladder)trans-132.2134.4-179.1-174.4169.2-75.300110.4P90 L129 L145 A147 T249 H250 T274 I292 I295 L296P90-M127 WeakPolarHBondContact O-CB 3.37Å; M127-L129 PolarHBondContact O-N 2.9Å; M127-L145 CarbonylContact C-O 3.57Å; M127-L145 WeakPolarHBondContact CA-O 3.39Å; M127-L145 HydrophobicContact CB-CB 4.44Å; M127-L145 HydrophobicContact CE-CB 4.09Å; M127-L145 HydrophobicContact CE-CD1 4.32Å; M127-L145 HydrophobicContact CG-CB 4.49Å; M127-A147 HydrophobicContact SD-CB 4.27Å; M127-T249 HydrophobicContact CG-CG2 4.13Å; M127-T249 HydrophobicContact SD-CG2 4.28Å; M127-H250 PolarHBondContact O-CE1 3.38Å; M127-H250 PolarHBondContact O-NE2 2.94Å; M127-H250 VanDerWaalsContact O-NE2 3.15Å; M127-T274 HydrophobicContact CB-CG2 4.35Å; M127-T274 HydrophobicContact CG-CG2 4.39Å; M127-T274 HydrophobicContact SD-CG2 3.7Å; M127-I292 HydrophobicContact CE-CB 3.97Å; M127-I292 HydrophobicContact CE-CG1 4.25Å; M127-I292 HydrophobicContact CE-CG2 4.29Å; M127-I292 HydrophobicContact SD-CB 4.09Å; M127-I292 HydrophobicContact SD-CG1 3.97Å; M127-I292 HydrophobicContact SD-CG2 4.01Å; M127-I295 HydrophobicContact CE-CB 4.26Å; M127-I295 HydrophobicContact CE-CD1 4.48Å; M127-I295 HydrophobicContact CE-CG2 3.99Å; M127-L296 HydrophobicContact CE-CD2 4.31Å
128D97.8Very high98Very high21 Ų2133.6 Ų33.611%0.11220%0.199CC..SBendtrans40.958.6176.5-70.8-50.5000114.2H130 N144 L145 Y146 A147 T249 H250D128-H130 PolarHBondContact O-N 3.28Å; D128-N144 PolarHBondContact N-OD1 3.03Å; D128-L145 PolarHBondContact N-O 3.02Å; D128-Y146 WeakPolarHBondContact OD1-CD1 3.43Å; D128-A147 WeakPolarHBondContact OD2-CB 3.3Å; D128-A147 PolarHBondContact OD2-N 3.06Å; D128-T249 HydrophobicContact CB-CG2 3.92Å; D128-T249 WeakPolarHBondContact OD2-CB 3.34Å; D128-T249 WeakPolarHBondContact OD2-CG2 3.45Å; D128-T249 PolarHBondContact OD2-OG1 2.85Å; D128-H250 PolarHBondContact O-NE2 3.41Å
129L97.9Very high98Very high15 Ų1535.6 Ų35.68%0.07921%0.205CC..  trans-47.2131.1171.2-77170.2000111.5F92 T126 M127 A131 I134 Q135 N144F92-L129 HydrophobicContact CB-CD2 3.55Å; F92-L129 HydrophobicContact CD1-CD2 4.24Å; F92-L129 HydrophobicContact CD2-CD2 4.19Å; F92-L129 HydrophobicContact CG-CD2 3.74Å; T126-L129 HydrophobicContact CG2-CD1 3.84Å; T126-L129 HydrophobicContact CG2-CD2 3.92Å; T126-L129 HydrophobicContact CG2-CG 3.63Å; M127-L129 PolarHBondContact O-N 2.9Å; L129-A131 PolarHBondContact O-N 2.94Å; L129-I134 HydrophobicContact CD1-CB 4.12Å; L129-I134 HydrophobicContact CD1-CG2 4.24Å; L129-I134 HydrophobicContact CD2-CB 4.2Å; L129-I134 HydrophobicContact CD2-CD1 4.19Å; L129-I134 HydrophobicContact CD2-CG2 3.88Å; L129-Q135 HydrophobicContact CD1-CG 3.81Å; L129-N144 HydrophobicContact CD1-CB 4.07Å; L129-N144 VanDerWaalsContact CG-OD1 3.31Å; L129-N144 WeakPolarHBondContact CG-OD1 3.48Å; L129-N144 PolarHBondContact N-OD1 3.15Å
130H96Very high97.9Very high65 Ų6537.2 Ų37.230%0.30121%0.212SC..SBendtrans-48.6-41.5179-17762.6000112.5A95 D128 D221 M222A95-H130 HydrophobicContact CB-CB 3.71Å; D128-H130 PolarHBondContact O-N 3.28Å; H130-D221 WeakPolarHBondContact CA-OD2 3.41Å; H130-D221 IonicContact CE1-OD2 3.41Å; H130-D221 IonicContact CG-OD2 3.21Å; H130-D221 IonicContact ND1-OD1 3.68Å; H130-D221 IonicContact ND1-OD2 3.23Å; H130-D221 PolarHBondContact ND1-OD2 3.33Å; H130-M222 HydrophobicContact CB-CE 4.15Å
131A95.1Very high97.9Very high12 Ų1239.4 Ų39.410%0.09923%0.229CC..SBendtrans-130.1126171.200000110D98 L129 Q133 I134D98-A131 HydrophobicContact CB-CB 4.39Å; D98-A131 VanDerWaalsContact OD2-CB 3.24Å; D98-A131 WeakPolarHBondContact OD2-CB 3.4Å; L129-A131 PolarHBondContact O-N 2.94Å; A131-Q133 PolarHBondContact O-N 3.44Å; A131-I134 HydrophobicContact CB-CD1 4.35Å; A131-I134 HydrophobicContact CB-CG1 4.37Å; A131-I134 WeakPolarHBondContact O-CB 3.41Å; A131-I134 WeakPolarHBondContact O-CG1 3.35Å; A131-I134 PolarHBondContact O-N 2.76Å
132S94.8Very high97.9Very high63 Ų6340.1 Ų40.144%0.44123%0.233SC..G310 helixtrans-54.6-26.5177.659.70000113.9I134 Q135S132-I134 PolarHBondContact O-N 2.87Å; S132-Q135 WeakPolarHBondContact O-CB 3.25Å; S132-Q135 PolarHBondContact O-N 2.98Å; S132-Q135 PolarHBondContact O-NE2 2.95Å; S132-Q135 VanDerWaalsContact O-NE2 3.13Å
133Q97.4Very high97.9Very high123 Ų12338.9 Ų38.958%0.57523%0.226SC*.G310 helixtrans-65.9-19.7179.5-67.278.10.600113A131 Q135 G136A131-Q133 PolarHBondContact O-N 3.44Å; Q133-Q135 PolarHBondContact O-N 2.86Å; Q133-G136 WeakPolarHBondContact O-CA 3.44Å; Q133-G136 PolarHBondContact O-N 2.96Å
134I98.3Very high97.9Very high1 Ų138.4 Ų38.41%0.00522%0.224CC..G310 helixtrans-58.9-27.9175.4-65.8167.6000110.9F92 A95 D98 A109 L129 A131 S132 G136 F137 F138F92-I134 HydrophobicContact CD1-CG2 4.32Å; F92-I134 HydrophobicContact CE1-CG2 4.05Å; F92-I134 HydrophobicContact CZ-CG2 4.35Å; A95-I134 HydrophobicContact CB-CD1 3.93Å; D98-I134 HydrophobicContact CB-CD1 4.27Å; D98-I134 HydrophobicContact CB-CG1 4.12Å; A109-I134 HydrophobicContact CB-CD1 4.48Å; A109-I134 HydrophobicContact CB-CG1 4.49Å; L129-I134 HydrophobicContact CD1-CB 4.12Å; L129-I134 HydrophobicContact CD1-CG2 4.24Å; L129-I134 HydrophobicContact CD2-CB 4.2Å; L129-I134 HydrophobicContact CD2-CD1 4.19Å; L129-I134 HydrophobicContact CD2-CG2 3.88Å; A131-I134 HydrophobicContact CB-CD1 4.35Å; A131-I134 HydrophobicContact CB-CG1 4.37Å; A131-I134 WeakPolarHBondContact O-CB 3.41Å; A131-I134 WeakPolarHBondContact O-CG1 3.35Å; A131-I134 PolarHBondContact O-N 2.76Å; S132-I134 PolarHBondContact O-N 2.87Å; I134-G136 PolarHBondContact O-N 3.27Å; I134-F137 HydrophobicContact CB-CD2 4.27Å; I134-F137 HydrophobicContact CB-CE2 4.48Å; I134-F137 HydrophobicContact CG1-CD2 4.21Å; I134-F137 HydrophobicContact CG1-CE2 3.96Å; I134-F137 HydrophobicContact CG2-CD2 4.13Å; I134-F137 VanDerWaalsContact O-CB 3.24Å; I134-F137 WeakPolarHBondContact O-CB 3.35Å; I134-F137 PolarHBondContact O-N 2.96Å; I134-F138 HydrophobicContact CG2-CE2 4.43Å
135Q98.2Very high97.8Very high66 Ų6638.4 Ų38.431%0.30822%0.224SC..G310 helixtrans-55.9-40171.6-68.5174.588.400111.8L129 S132 Q133 F137 F138 V142 N144L129-Q135 HydrophobicContact CD1-CG 3.81Å; S132-Q135 WeakPolarHBondContact O-CB 3.25Å; S132-Q135 PolarHBondContact O-N 2.98Å; S132-Q135 PolarHBondContact O-NE2 2.95Å; S132-Q135 VanDerWaalsContact O-NE2 3.13Å; Q133-Q135 PolarHBondContact O-N 2.86Å; Q135-F137 PolarHBondContact O-N 3.39Å; Q135-F138 PolarHBondContact O-N 3.13Å; Q135-V142 HydrophobicContact CB-CB 4.46Å; Q135-V142 HydrophobicContact CG-CB 4.16Å; Q135-V142 HydrophobicContact CG-CG1 3.92Å; Q135-N144 HydrophobicContact CG-CB 4.3Å
136G98.3Very high97.7Very high61 Ų6142 Ų4263%0.62924%0.238SC*.G310 helixtrans-74.92.5176.500000114.6Q133 I134 F138Q133-G136 WeakPolarHBondContact O-CA 3.44Å; Q133-G136 PolarHBondContact O-N 2.96Å; I134-G136 PolarHBondContact O-N 3.27Å; G136-F138 VanDerWaalsContact C-N 3.32Å
137F98.6Very high97.7Very high37 Ų3741.9 Ų41.916%0.16224%0.238CC..G310 helixtrans-80.8-18.5169.1-67-9.7000112.7D98 I107 A109 K110 A113 I134 Q135D98-F137 HydrophobicContact CB-CE2 4.29Å; D98-F137 HydrophobicContact CB-CZ 4.43Å; D98-F137 WeakPolarHBondContact O-CZ 3.39Å; I107-F137 HydrophobicContact CG2-CE2 4.06Å; I107-F137 HydrophobicContact CG2-CZ 3.99Å; A109-F137 HydrophobicContact CB-CD2 4.14Å; A109-F137 HydrophobicContact CB-CE2 3.83Å; K110-F137 HydrophobicContact CB-CD1 4.41Å; K110-F137 HydrophobicContact CB-CD2 3.85Å; K110-F137 HydrophobicContact CB-CE2 4.1Å; K110-F137 HydrophobicContact CB-CG 4.02Å; K110-F137 HydrophobicContact CB-CZ 4.49Å; K110-F137 HydrophobicContact CD-CB 3.6Å; K110-F137 HydrophobicContact CD-CD1 4.1Å; K110-F137 HydrophobicContact CD-CD2 4.45Å; K110-F137 HydrophobicContact CD-CG 3.81Å; K110-F137 WeakPolarHBondContact CE-O 3.33Å; K110-F137 HydrophobicContact CG-CG 4.47Å; K110-F137 PolarHBondContact NZ-O 3.18Å; A113-F137 HydrophobicContact CB-CB 3.72Å; I134-F137 HydrophobicContact CB-CD2 4.27Å; I134-F137 HydrophobicContact CB-CE2 4.48Å; I134-F137 HydrophobicContact CG1-CD2 4.21Å; I134-F137 HydrophobicContact CG1-CE2 3.96Å; I134-F137 HydrophobicContact CG2-CD2 4.13Å; I134-F137 VanDerWaalsContact O-CB 3.24Å; I134-F137 WeakPolarHBondContact O-CB 3.35Å; I134-F137 PolarHBondContact O-N 2.96Å; Q135-F137 PolarHBondContact O-N 3.39Å
138F98.6Very high97.6Very high13 Ų1343.2 Ų43.26%0.05724%0.244CC..  trans-101.7146.3177.4-65.4-89.9000110.9F92 A113 L116 I124 I134 Q135 G136 I140 V142F92-F138 AromaticContact CE2-CE2 3.98Å; F92-F138 HydrophobicContact CE2-CE2 3.98Å; F92-F138 AromaticContact CE2-CZ 3.71Å; F92-F138 HydrophobicContact CE2-CZ 3.71Å; F92-F138 AromaticContact CZ-CE2 3.89Å; F92-F138 HydrophobicContact CZ-CE2 3.89Å; F92-F138 AromaticContact CZ-CZ 3.7Å; F92-F138 HydrophobicContact CZ-CZ 3.7Å; A113-F138 VanDerWaalsContact CA-CE1 3.45Å; A113-F138 VanDerWaalsContact CA-CZ 3.43Å; A113-F138 HydrophobicContact CB-CD1 3.97Å; A113-F138 HydrophobicContact CB-CD2 3.89Å; A113-F138 HydrophobicContact CB-CE1 3.62Å; A113-F138 HydrophobicContact CB-CE2 3.52Å; A113-F138 HydrophobicContact CB-CG 4.11Å; A113-F138 HydrophobicContact CB-CZ 3.39Å; L116-F138 HydrophobicContact CB-CE1 4.1Å; L116-F138 HydrophobicContact CD1-CE1 4.1Å; L116-F138 HydrophobicContact CD1-CZ 3.94Å; I124-F138 HydrophobicContact CD1-CE1 3.99Å; I124-F138 HydrophobicContact CD1-CZ 4.4Å; I124-F138 HydrophobicContact CG1-CD1 4.05Å; I124-F138 HydrophobicContact CG1-CE1 3.74Å; I124-F138 HydrophobicContact CG1-CZ 4.02Å; I134-F138 HydrophobicContact CG2-CE2 4.43Å; Q135-F138 PolarHBondContact O-N 3.13Å; G136-F138 VanDerWaalsContact C-N 3.32Å; F138-I140 HydrophobicContact CB-CG1 3.95Å; F138-I140 HydrophobicContact CD1-CD1 4.01Å; F138-I140 HydrophobicContact CD1-CG1 3.85Å; F138-I140 HydrophobicContact CG-CG1 4.29Å; F138-V142 HydrophobicContact CB-CG2 3.75Å; F138-V142 HydrophobicContact CD2-CG2 3.7Å; F138-V142 HydrophobicContact CE2-CG2 4.46Å; F138-V142 HydrophobicContact CG-CG2 3.8Å
139D98.1Very high97.5Very high169 Ų16942.7 Ų42.790%0.90424%0.242SC*.SBendtrans-94.7-12.9166.3-60.2-50.2000111.7
140I98.4Very high97.4Very high45 Ų4542.3 Ų42.323%0.23124%0.241CC..SBendtrans-84.8162.5171.359.8175.5000110.8A121 I124 F138A121-I140 HydrophobicContact CB-CD1 4.13Å; A121-I140 WeakPolarHBondContact O-CD1 3.43Å; I124-I140 HydrophobicContact CD1-CD1 4.05Å; I124-I140 HydrophobicContact CG1-CD1 3.87Å; I124-I140 HydrophobicContact CG1-CG1 4.47Å; F138-I140 HydrophobicContact CB-CG1 3.95Å; F138-I140 HydrophobicContact CD1-CD1 4.01Å; F138-I140 HydrophobicContact CD1-CG1 3.85Å; F138-I140 HydrophobicContact CG-CG1 4.29Å
141A98.1Very high97.5Very high59 Ų5939.5 Ų39.549%0.48823%0.228SC..EExtended strand (participates in β ladder)trans-60.1146.9175.400000111.1H123 I124H123-A141 PolarHBondContact CD2-O 3.35Å; H123-A141 VanDerWaalsContact CD2-O 3.25Å; I124-A141 PolarHBondContact N-O 2.87Å; I124-A141 VanDerWaalsContact N-O 3.11Å
142V98.6Very high97.6Very high19 Ų1939.2 Ų39.212%0.11523%0.225CC..EExtended strand (participates in β ladder)trans-137.7114.6174.4-177.10000108.5I124 T126 Q135 F138I124-V142 HydrophobicContact CB-CB 4.45Å; I124-V142 HydrophobicContact CB-CG1 4.15Å; I124-V142 HydrophobicContact CB-CG2 4.13Å; I124-V142 HydrophobicContact CG1-CG2 4.29Å; I124-V142 HydrophobicContact CG2-CG1 4.28Å; I124-V142 CarbonylContact O-C 3.59Å; I124-V142 WeakPolarHBondContact O-CA 3.21Å; T126-V142 HydrophobicContact CG2-CG1 4.25Å; Q135-V142 HydrophobicContact CB-CB 4.46Å; Q135-V142 HydrophobicContact CG-CB 4.16Å; Q135-V142 HydrophobicContact CG-CG1 3.92Å; F138-V142 HydrophobicContact CB-CG2 3.75Å; F138-V142 HydrophobicContact CD2-CG2 3.7Å; F138-V142 HydrophobicContact CE2-CG2 4.46Å; F138-V142 HydrophobicContact CG-CG2 3.8Å
143D98.4Very high97.7Very high33 Ų3339.9 Ų39.918%0.17622%0.221CC..EExtended strand (participates in β ladder)trans-90.2100.1168.7-74.4-31.9000109.2H123 I124 I125 T126 L145 T303 V309H123-D143 IonicContact CE1-OD2 3.81Å; H123-D143 PolarHBondContact CE1-OD2 2.92Å; H123-D143 IonicContact NE2-OD2 2.76Å; H123-D143 PolarHBondContact NE2-OD2 2.83Å; I124-D143 PolarHBondContact O-N 3.3Å; I125-D143 HydrophobicContact CG1-CB 4.3Å; T126-D143 PolarHBondContact N-O 3.48Å; D143-L145 PolarHBondContact O-N 2.89Å; D143-T303 PolarHBondContact OD2-OG1 3.2Å; D143-V309 HydrophobicContact CB-CG1 4.38Å
144N98.1Very high97.8Very high4 Ų435.1 Ų35.12%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-87.599.3171.3179.460.5000110.4T126 D128 L129 Q135 Y146 F313T126-N144 HydrophobicContact CG2-CB 4.34Å; D128-N144 PolarHBondContact N-OD1 3.03Å; L129-N144 HydrophobicContact CD1-CB 4.07Å; L129-N144 VanDerWaalsContact CG-OD1 3.31Å; L129-N144 WeakPolarHBondContact CG-OD1 3.48Å; L129-N144 PolarHBondContact N-OD1 3.15Å; Q135-N144 HydrophobicContact CG-CB 4.3Å; N144-Y146 WeakPolarHBondContact ND2-CE1 3.33Å; N144-Y146 PolarHBondContact ND2-OH 3.03Å; N144-Y146 VanDerWaalsContact O-CE2 3.31Å; N144-Y146 WeakPolarHBondContact O-CE2 3.38Å; N144-F313 WeakPolarHBondContact O-CE1 3.39Å
145L98.1Very high97.8Very high0 Ų035 Ų350%020%0.197CC..EExtended strand (participates in β ladder)trans-73.3160.7175.9-53.6171.2000110.9I125 T126 M127 D128 D143 I295 L296 A299 V309 L312 F313I125-L145 HydrophobicContact CG2-CD1 3.64Å; I125-L145 HydrophobicContact CG2-CG 4.22Å; T126-L145 VanDerWaalsContact O-CB 3.31Å; T126-L145 WeakPolarHBondContact O-CB 3.35Å; T126-L145 WeakPolarHBondContact O-CG 2.92Å; T126-L145 PolarHBondContact O-N 3.19Å; M127-L145 CarbonylContact C-O 3.57Å; M127-L145 WeakPolarHBondContact CA-O 3.39Å; M127-L145 HydrophobicContact CB-CB 4.44Å; M127-L145 HydrophobicContact CE-CB 4.09Å; M127-L145 HydrophobicContact CE-CD1 4.32Å; M127-L145 HydrophobicContact CG-CB 4.49Å; D128-L145 PolarHBondContact N-O 3.02Å; D143-L145 PolarHBondContact O-N 2.89Å; L145-I295 HydrophobicContact CD1-CG2 4.26Å; L145-L296 HydrophobicContact CD1-CD2 3.67Å; L145-A299 HydrophobicContact CD1-CB 3.82Å; L145-A299 HydrophobicContact CD2-CB 3.89Å; L145-A299 HydrophobicContact CG-CB 4.47Å; L145-V309 HydrophobicContact CD2-CG1 3.83Å; L145-L312 HydrophobicContact CD2-CD1 4.39Å; L145-F313 HydrophobicContact CD2-CE1 4.09Å
146Y96.9Very high97.8Very high74 Ų7437.4 Ų37.429%0.2920%0.204SC..  trans-125134.7179.3-58.4-80.9000110.4D128 N144 P149 F313D128-Y146 WeakPolarHBondContact OD1-CD1 3.43Å; N144-Y146 WeakPolarHBondContact ND2-CE1 3.33Å; N144-Y146 PolarHBondContact ND2-OH 3.03Å; N144-Y146 VanDerWaalsContact O-CE2 3.31Å; N144-Y146 WeakPolarHBondContact O-CE2 3.38Å; Y146-P149 WeakPolarHBondContact O-CD 3.36Å; Y146-F313 HydrophobicContact CD2-CB 3.94Å; Y146-F313 AromaticContact CD2-CD1 3.67Å; Y146-F313 HydrophobicContact CD2-CD1 3.67Å; Y146-F313 HydrophobicContact CD2-CE1 4.32Å; Y146-F313 AromaticContact CD2-CG 3.85Å; Y146-F313 HydrophobicContact CD2-CG 3.85Å; Y146-F313 HydrophobicContact CE2-CB 4.3Å; Y146-F313 AromaticContact CE2-CD1 3.92Å; Y146-F313 HydrophobicContact CE2-CD1 3.92Å; Y146-F313 HydrophobicContact CE2-CD2 4.25Å; Y146-F313 HydrophobicContact CE2-CE1 4.26Å; Y146-F313 AromaticContact CE2-CG 3.92Å; Y146-F313 HydrophobicContact CE2-CG 3.92Å
147A97.2Very high97.7Very high0 Ų040.8 Ų40.80%020%0.203CC..SBendtrans-78.5-9.1169.200000112.4M127 D128 A150 V151 T249 T272M127-A147 HydrophobicContact SD-CB 4.27Å; D128-A147 WeakPolarHBondContact OD2-CB 3.3Å; D128-A147 PolarHBondContact OD2-N 3.06Å; A147-A150 WeakPolarHBondContact O-CA 3.43Å; A147-A150 PolarHBondContact O-N 3.07Å; A147-V151 HydrophobicContact CB-CG2 4.37Å; A147-V151 WeakPolarHBondContact O-CG2 3.46Å; A147-V151 PolarHBondContact O-N 3.15Å; A147-T249 HydrophobicContact CB-CG2 3.87Å; A147-T272 HydrophobicContact CB-CG2 3.96Å
148E96.6Very high97.7Very high28 Ų2842.4 Ų42.413%0.13121%0.213CC..Hα-helixtrans-46.6-47.2-178.1175.6177.8-16600113.8A150 V151 L152 S180 I181 R184E148-A150 VanDerWaalsContact C-N 3.34Å; E148-A150 PolarHBondContact O-N 3.12Å; E148-V151 PolarHBondContact O-N 3.35Å; E148-L152 HydrophobicContact CG-CD1 3.92Å; E148-L152 HydrophobicContact CG-CG 4.36Å; E148-L152 WeakPolarHBondContact O-CB 3.36Å; E148-L152 WeakPolarHBondContact O-CG 3.48Å; E148-L152 PolarHBondContact O-N 2.96Å; E148-S180 PolarHBondContact OE1-OG 3.33Å; E148-I181 HydrophobicContact CG-CG1 4.1Å; E148-R184 VanDerWaalsContact OE1-CD 3.26Å; E148-R184 WeakPolarHBondContact OE1-CD 3.42Å; E148-R184 IonicContact OE1-CZ 2.82Å; E148-R184 IonicContact OE1-NE 3.86Å; E148-R184 PolarHBondContact OE1-NE 2.84Å; E148-R184 IonicContact OE1-NH1 3.56Å; E148-R184 IonicContact OE1-NH2 2.75Å; E148-R184 IonicContact OE2-CZ 3.67Å; E148-R184 IonicContact OE2-NH1 3.25Å; E148-R184 IonicContact OE2-NH2 3.58Å
149P95.4Very high97.7Very high10 Ų1041.9 Ų41.97%0.06521%0.211CC..Hα-helixtrans-59.8-41.4176.8-24.636.5000113.4Y146 L152 Q153 V316Y146-P149 WeakPolarHBondContact O-CD 3.36Å; P149-L152 PolarHBondContact O-N 3.39Å; P149-Q153 PolarHBondContact O-N 3.24Å; P149-V316 HydrophobicContact CB-CG2 3.56Å; P149-V316 WeakPolarHBondContact O-CG2 3.4Å
150A96.9Very high97.6Very high7 Ų738.9 Ų38.96%0.05820%0.201CC..Hα-helixtrans-72.5-35.8179.400000111.8A147 E148 Q153 W154 I290 I295 V316A147-A150 WeakPolarHBondContact O-CA 3.43Å; A147-A150 PolarHBondContact O-N 3.07Å; E148-A150 VanDerWaalsContact C-N 3.34Å; E148-A150 PolarHBondContact O-N 3.12Å; A150-Q153 PolarHBondContact O-N 3.39Å; A150-W154 WeakPolarHBondContact O-CB 3.41Å; A150-W154 PolarHBondContact O-N 2.98Å; A150-I290 HydrophobicContact CB-CG2 3.78Å; A150-I295 HydrophobicContact CB-CD1 4.3Å; A150-V316 HydrophobicContact CB-CG2 4.23Å
151V97.7Very high97.6Very high5 Ų541 Ų413%0.0321%0.209CC..Hα-helixtrans-62.8-45.9172.4167.60000110.9A147 E148 Q153 W154 I155 I181 I247 I290A147-V151 HydrophobicContact CB-CG2 4.37Å; A147-V151 WeakPolarHBondContact O-CG2 3.46Å; A147-V151 PolarHBondContact O-N 3.15Å; E148-V151 PolarHBondContact O-N 3.35Å; V151-Q153 VanDerWaalsContact C-N 3.32Å; V151-Q153 PolarHBondContact O-N 2.92Å; V151-W154 PolarHBondContact O-N 3.48Å; V151-I155 HydrophobicContact CG1-CD1 3.82Å; V151-I155 HydrophobicContact CG1-CG1 4.43Å; V151-I155 VanDerWaalsContact O-CG1 3.29Å; V151-I155 WeakPolarHBondContact O-CG1 3.43Å; V151-I155 PolarHBondContact O-N 2.99Å; V151-I181 HydrophobicContact CG1-CD1 4.48Å; V151-I247 HydrophobicContact CB-CG2 4.39Å; V151-I247 HydrophobicContact CG1-CD1 4.04Å; V151-I247 HydrophobicContact CG1-CG2 3.83Å; V151-I247 HydrophobicContact CG2-CG2 3.73Å; V151-I290 HydrophobicContact CG2-CD1 4.26Å
152L97.5Very high97.5Very high7 Ų740.4 Ų40.44%0.03720%0.195CC..Hα-helixtrans-61-42177-71.5166.6000111.8E148 P149 R156 I181 R184 L185E148-L152 HydrophobicContact CG-CD1 3.92Å; E148-L152 HydrophobicContact CG-CG 4.36Å; E148-L152 WeakPolarHBondContact O-CB 3.36Å; E148-L152 WeakPolarHBondContact O-CG 3.48Å; E148-L152 PolarHBondContact O-N 2.96Å; P149-L152 PolarHBondContact O-N 3.39Å; L152-R156 VanDerWaalsContact O-CG 3.3Å; L152-R156 WeakPolarHBondContact O-CG 3.19Å; L152-R156 PolarHBondContact O-N 3.25Å; L152-I181 HydrophobicContact CD2-CG2 3.94Å; L152-R184 HydrophobicContact CD1-CB 4.06Å; L152-R184 HydrophobicContact CD1-CG 4.48Å; L152-R184 HydrophobicContact CD2-CB 4.11Å; L152-L185 HydrophobicContact CD2-CD1 4Å; L152-L185 HydrophobicContact CD2-CD2 3.59Å; L152-L185 HydrophobicContact CD2-CG 3.47Å; L152-L185 VanDerWaalsContact CD2-CG 3.47Å
153Q97.1Very high97.5Very high76 Ų7646.5 Ų46.536%0.35522%0.22SC..Hα-helixtrans-61.5-50.9174.7-178.1176.4-1.100110.9P149 A150 V151 I155 R156 E157P149-Q153 PolarHBondContact O-N 3.24Å; A150-Q153 PolarHBondContact O-N 3.39Å; V151-Q153 VanDerWaalsContact C-N 3.32Å; V151-Q153 PolarHBondContact O-N 2.92Å; Q153-I155 VanDerWaalsContact C-N 3.34Å; Q153-I155 PolarHBondContact O-N 2.81Å; Q153-R156 PolarHBondContact O-N 3.31Å; Q153-R156 VanDerWaalsContact O-N 3.17Å; Q153-E157 HydrophobicContact CG-CG 4.41Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.5Å; Q153-E157 PolarHBondContact NE2-OE1 3.41Å; Q153-E157 WeakPolarHBondContact O-CG 3.34Å; Q153-E157 PolarHBondContact O-N 2.99Å
154W98.3Very high97.3Very high23 Ų2350.8 Ų50.89%0.08724%0.243CC..Hα-helixtrans-58.3-44.6-179.7-174.194.1000112A150 V151 R156 E157 N158 I159 Y245 I247 V270 Q288 I290A150-W154 WeakPolarHBondContact O-CB 3.41Å; A150-W154 PolarHBondContact O-N 2.98Å; V151-W154 PolarHBondContact O-N 3.48Å; W154-R156 PolarHBondContact O-N 2.88Å; W154-E157 PolarHBondContact O-N 3.41Å; W154-N158 HydrophobicContact CD2-CB 4.13Å; W154-N158 HydrophobicContact CE3-CB 4.39Å; W154-N158 HydrophobicContact CH2-CB 3.95Å; W154-N158 HydrophobicContact CZ2-CB 3.67Å; W154-N158 HydrophobicContact CZ3-CB 4.32Å; W154-N158 PolarHBondContact NE1-ND2 3.26Å; W154-N158 VanDerWaalsContact O-CB 3.3Å; W154-N158 WeakPolarHBondContact O-CB 3.21Å; W154-N158 PolarHBondContact O-N 3.42Å; W154-N158 PolarHBondContact O-ND2 3.49Å; W154-I159 HydrophobicContact CH2-CG1 4.33Å; W154-I159 HydrophobicContact CZ3-CD1 3.84Å; W154-I159 HydrophobicContact CZ3-CG1 3.96Å; W154-Y245 HydrophobicContact CH2-CD1 4.01Å; W154-Y245 HydrophobicContact CH2-CE1 4.18Å; W154-Y245 HydrophobicContact CZ3-CD1 4.44Å; W154-I247 HydrophobicContact CE3-CD1 3.91Å; W154-I247 HydrophobicContact CZ3-CD1 4.03Å; W154-V270 HydrophobicContact CD2-CG1 4.09Å; W154-V270 HydrophobicContact CD2-CG2 3.98Å; W154-V270 HydrophobicContact CE3-CG2 3.96Å; W154-V270 HydrophobicContact CG-CG1 4.35Å; W154-V270 HydrophobicContact CH2-CG2 3.32Å; W154-V270 HydrophobicContact CZ2-CG2 3.29Å; W154-V270 HydrophobicContact CZ3-CG2 3.64Å; W154-Q288 VanDerWaalsContact CZ2-OE1 3.28Å; W154-I290 HydrophobicContact CB-CD1 3.83Å; W154-I290 HydrophobicContact CB-CG1 4.31Å; W154-I290 HydrophobicContact CG-CD1 4.02Å; W154-I290 HydrophobicContact CG-CG1 4.19Å
155I98.4Very high97.3Very high0 Ų050.6 Ų50.60%024%0.242CC..Hα-helixtrans-57.8-48.1177.3-70.5166.8000110.9V151 Q153 E157 I159 W162 I181 L185 I217 I247V151-I155 HydrophobicContact CG1-CD1 3.82Å; V151-I155 HydrophobicContact CG1-CG1 4.43Å; V151-I155 VanDerWaalsContact O-CG1 3.29Å; V151-I155 WeakPolarHBondContact O-CG1 3.43Å; V151-I155 PolarHBondContact O-N 2.99Å; Q153-I155 VanDerWaalsContact C-N 3.34Å; Q153-I155 PolarHBondContact O-N 2.81Å; I155-E157 VanDerWaalsContact C-N 3.3Å; I155-E157 PolarHBondContact O-N 3.28Å; I155-I159 HydrophobicContact CG2-CD1 4.45Å; I155-I159 WeakPolarHBondContact O-CB 3.46Å; I155-I159 PolarHBondContact O-N 2.87Å; I155-W162 HydrophobicContact CG2-CB 3.66Å; I155-W162 HydrophobicContact CG2-CG 4.39Å; I155-I181 HydrophobicContact CD1-CG2 4.33Å; I155-L185 HydrophobicContact CD1-CD1 3.97Å; I155-L185 HydrophobicContact CG2-CD1 3.96Å; I155-I217 HydrophobicContact CD1-CD1 4.44Å; I155-I217 HydrophobicContact CG1-CD1 4.41Å; I155-I217 HydrophobicContact CG2-CD1 4.02Å; I155-I247 HydrophobicContact CD1-CD1 3.77Å; I155-I247 HydrophobicContact CG1-CD1 3.49Å; I155-I247 VanDerWaalsContact CG1-CD1 3.49Å
156R97.9Very high97.3Very high116 Ų11650.6 Ų50.644%0.43824%0.242SC..Hα-helixtrans-65.6-33.4-177-72174.1-177138.7-0.8112.9L152 Q153 W154 W162 R184 L185L152-R156 VanDerWaalsContact O-CG 3.3Å; L152-R156 WeakPolarHBondContact O-CG 3.19Å; L152-R156 PolarHBondContact O-N 3.25Å; Q153-R156 PolarHBondContact O-N 3.31Å; Q153-R156 VanDerWaalsContact O-N 3.17Å; W154-R156 PolarHBondContact O-N 2.88Å; R156-W162 HydrophobicContact CG-CD2 4.21Å; R156-W162 HydrophobicContact CG-CH2 4.39Å; R156-W162 HydrophobicContact CG-CZ2 4.03Å; R156-R184 PolarHBondContact NH2-O 3.26Å; R156-L185 HydrophobicContact CG-CD2 4.11Å
157E97.8Very high97.4Very high132 Ų13247 Ų4762%0.61723%0.228SC*.Hα-helixtrans-85.8-28.2-176.9-69.6173.7-17800113Q153 W154 I155Q153-E157 HydrophobicContact CG-CG 4.41Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.5Å; Q153-E157 PolarHBondContact NE2-OE1 3.41Å; Q153-E157 WeakPolarHBondContact O-CG 3.34Å; Q153-E157 PolarHBondContact O-N 2.99Å; W154-E157 PolarHBondContact O-N 3.41Å; I155-E157 VanDerWaalsContact C-N 3.3Å; I155-E157 PolarHBondContact O-N 3.28Å
158N98.2Very high97.5Very high71 Ų7147 Ų4738%0.3823%0.228SC..Hα-helixtrans-116-15.8-168.2-63.8-87.3000115.1W154 P160W154-N158 HydrophobicContact CD2-CB 4.13Å; W154-N158 HydrophobicContact CE3-CB 4.39Å; W154-N158 HydrophobicContact CH2-CB 3.95Å; W154-N158 HydrophobicContact CZ2-CB 3.67Å; W154-N158 HydrophobicContact CZ3-CB 4.32Å; W154-N158 PolarHBondContact NE1-ND2 3.26Å; W154-N158 VanDerWaalsContact O-CB 3.3Å; W154-N158 WeakPolarHBondContact O-CB 3.21Å; W154-N158 PolarHBondContact O-N 3.42Å; W154-N158 PolarHBondContact O-ND2 3.49Å; N158-P160 WeakPolarHBondContact O-CD 3.25Å
159I97.9Very high97.6Very high1 Ų145.7 Ų45.71%0.00522%0.221CC..  trans-113.199.9178.3-57.9-179.5000108.8W154 I155 E161 W162 V215 I217 Y245W154-I159 HydrophobicContact CH2-CG1 4.33Å; W154-I159 HydrophobicContact CZ3-CD1 3.84Å; W154-I159 HydrophobicContact CZ3-CG1 3.96Å; I155-I159 HydrophobicContact CG2-CD1 4.45Å; I155-I159 WeakPolarHBondContact O-CB 3.46Å; I155-I159 PolarHBondContact O-N 2.87Å; I159-E161 PolarHBondContact O-N 3.29Å; I159-E161 VanDerWaalsContact O-N 3.15Å; I159-W162 HydrophobicContact CB-CB 4.22Å; I159-W162 HydrophobicContact CG2-CB 4.27Å; I159-W162 VanDerWaalsContact O-CB 3.31Å; I159-W162 WeakPolarHBondContact O-CB 3.29Å; I159-W162 PolarHBondContact O-N 3.35Å; I159-V215 HydrophobicContact CG2-CG1 4.08Å; I159-I217 HydrophobicContact CD1-CD1 3.53Å; I159-I217 HydrophobicContact CD1-CG1 3.92Å; I159-Y245 HydrophobicContact CD1-CD1 4.02Å; I159-Y245 HydrophobicContact CD1-CD2 3.74Å; I159-Y245 HydrophobicContact CD1-CE1 4.2Å; I159-Y245 HydrophobicContact CD1-CE2 3.93Å; I159-Y245 HydrophobicContact CD1-CG 3.78Å; I159-Y245 HydrophobicContact CG1-CD1 4.34Å; I159-Y245 HydrophobicContact CG1-CD2 4.35Å; I159-Y245 HydrophobicContact CG1-CE1 4.02Å; I159-Y245 HydrophobicContact CG1-CE2 4.04Å; I159-Y245 HydrophobicContact CG1-CG 4.48Å; I159-Y245 HydrophobicContact CG2-CE2 4.22Å
160P97.2Very high97.5Very high107 Ų10745.3 Ų45.370%0.69522%0.219SC*.THydrogen-bonded Turntrans-55-36.8-177.2-27.135.1000113.9N158 W162N158-P160 WeakPolarHBondContact O-CD 3.25Å; P160-W162 VanDerWaalsContact C-N 3.31Å; P160-W162 PolarHBondContact O-N 3.16Å
161E96.5Very high97.3Very high88 Ų8848 Ų4841%0.41123%0.232SC..THydrogen-bonded Turntrans-89.112.7-176.5-52.185.1169.500113.4I159 K163 N164 S165 V215I159-E161 PolarHBondContact O-N 3.29Å; I159-E161 VanDerWaalsContact O-N 3.15Å; E161-K163 PolarHBondContact O-N 2.74Å; E161-N164 PolarHBondContact O-N 3.15Å; E161-S165 PolarHBondContact O-N 3.18Å; E161-V215 HydrophobicContact CB-CG2 3.89Å; E161-V215 HydrophobicContact CG-CG2 4.4Å
162W97.8Very high96.8Very high48 Ų4850.3 Ų50.318%0.18225%0.252CS..G310 helixtrans-53.8-33.9-171.871.2-97.8000113.5I155 R156 I159 P160 N164 S165 L185 V187I155-W162 HydrophobicContact CG2-CB 3.66Å; I155-W162 HydrophobicContact CG2-CG 4.39Å; R156-W162 HydrophobicContact CG-CD2 4.21Å; R156-W162 HydrophobicContact CG-CH2 4.39Å; R156-W162 HydrophobicContact CG-CZ2 4.03Å; I159-W162 HydrophobicContact CB-CB 4.22Å; I159-W162 HydrophobicContact CG2-CB 4.27Å; I159-W162 VanDerWaalsContact O-CB 3.31Å; I159-W162 WeakPolarHBondContact O-CB 3.29Å; I159-W162 PolarHBondContact O-N 3.35Å; P160-W162 VanDerWaalsContact C-N 3.31Å; P160-W162 PolarHBondContact O-N 3.16Å; W162-N164 PolarHBondContact O-N 3.16Å; W162-S165 VanDerWaalsContact O-CB 3.28Å; W162-S165 WeakPolarHBondContact O-CB 3.14Å; W162-S165 PolarHBondContact O-N 2.67Å; W162-S165 PolarHBondContact O-OG 2.86Å; W162-L185 HydrophobicContact CE3-CB 4.39Å; W162-L185 HydrophobicContact CE3-CD2 3.98Å; W162-L185 HydrophobicContact CZ3-CB 4.22Å; W162-L185 HydrophobicContact CZ3-CD2 3.93Å; W162-L185 WeakPolarHBondContact CZ3-O 3.47Å; W162-V187 WeakPolarHBondContact O-CG1 3.5Å
163K97.6Very high96.4Very high147 Ų14753.3 Ų53.364%0.63928%0.284SS*.G310 helixtrans-62.5-24.1179.8-67.3-176179.3178.50114.1E161E161-K163 PolarHBondContact O-N 2.74Å
164N95.4Very high96.2Very high122 Ų12249.7 Ų49.765%0.65227%0.268SS*.G310 helixtrans-114.317.9177.3-65.4-19.4000111.5E161 W162 R214E161-N164 PolarHBondContact O-N 3.15Å; W162-N164 PolarHBondContact O-N 3.16Å; N164-R214 WeakPolarHBondContact O-CG 3.32Å
165S97.8Very high96Very high0 Ų050 Ų500%028%0.275CS..  trans-78.9170.8178.470.80000112.2E161 W162 V215E161-S165 PolarHBondContact O-N 3.18Å; W162-S165 VanDerWaalsContact O-CB 3.28Å; W162-S165 WeakPolarHBondContact O-CB 3.14Å; W162-S165 PolarHBondContact O-N 2.67Å; W162-S165 PolarHBondContact O-OG 2.86Å; S165-V215 CarbonylContact C-O 3.55Å; S165-V215 WeakPolarHBondContact CA-O 3.41Å; S165-V215 WeakPolarHBondContact CB-O 3.44Å
166C98.3Very high95.8Very high0 Ų058.4 Ų58.40%031%0.312CS..EExtended strand (participates in β ladder)trans-124.9126.2170.1-178.40000109.4E188 F189 A190 V211 V215 A216 I217C166-E188 WeakPolarHBondContact CA-O 3.36Å; C166-F189 VanDerWaalsContact SG-C 3.52Å; C166-A190 PolarHBondContact SG-N 3.22Å; C166-A190 VanDerWaalsContact SG-N 3.45Å; C166-V211 HydrophobicContact CB-CG1 4.27Å; C166-V215 PolarHBondContact N-O 2.95Å; C166-A216 WeakPolarHBondContact O-CA 3.34Å; C166-I217 PolarHBondContact O-N 2.74Å
167I98.6Very high95.7Very high0 Ų055.9 Ų55.90%030%0.302CS..EExtended strand (participates in β ladder)trans-84.1126.2175-48.6-55.4000108.9V178 I181 A182 L185 V187 E188 F189 A190 I217 V219I167-V178 HydrophobicContact CB-CB 4.49Å; I167-V178 HydrophobicContact CG2-CB 3.74Å; I167-V178 HydrophobicContact CG2-CG1 3.98Å; I167-I181 HydrophobicContact CD1-CG2 4.19Å; I167-I181 HydrophobicContact CG1-CG2 4.11Å; I167-I181 HydrophobicContact CG2-CB 4.43Å; I167-I181 HydrophobicContact CG2-CG2 4.27Å; I167-A182 HydrophobicContact CB-CB 4.23Å; I167-A182 HydrophobicContact CG1-CB 4Å; I167-L185 HydrophobicContact CD1-CD1 4.03Å; I167-V187 HydrophobicContact CD1-CG2 4.24Å; I167-V187 HydrophobicContact CG1-CG2 3.78Å; I167-E188 PolarHBondContact N-O 3.4Å; I167-F189 CarbonylContact O-C 3.6Å; I167-F189 WeakPolarHBondContact O-CA 3.22Å; I167-F189 WeakPolarHBondContact O-CB 3.38Å; I167-A190 PolarHBondContact O-N 2.56Å; I167-I217 HydrophobicContact CD1-CB 4.03Å; I167-I217 HydrophobicContact CD1-CD1 3.9Å; I167-I217 HydrophobicContact CD1-CG1 4.43Å; I167-V219 HydrophobicContact CG2-CB 4.35Å; I167-V219 HydrophobicContact CG2-CG2 3.74Å
168V98.6Very high95.7Very high0 Ų049.6 Ų49.60%027%0.273CS..EExtended strand (participates in β ladder)trans-118.6130.4-170.8-171.30000110.9A190 I192 V211 A216 I217 L218 V219 L236V168-A190 WeakPolarHBondContact CA-O 3.19Å; V168-A190 HydrophobicContact CG1-CB 4.41Å; V168-A190 HydrophobicContact CG2-CB 4.23Å; V168-I192 HydrophobicContact CG1-CD1 3.99Å; V168-I192 HydrophobicContact CG1-CG1 4.15Å; V168-V211 HydrophobicContact CG2-CG1 4.3Å; V168-A216 HydrophobicContact CG2-CB 4.05Å; V168-I217 PolarHBondContact N-O 3.31Å; V168-L218 HydrophobicContact CB-CD2 3.89Å; V168-L218 HydrophobicContact CB-CG 4.38Å; V168-L218 HydrophobicContact CG1-CD2 3.77Å; V168-L218 WeakPolarHBondContact O-CA 3.4Å; V168-V219 PolarHBondContact O-N 3Å; V168-L236 HydrophobicContact CB-CD1 4.34Å; V168-L236 HydrophobicContact CG1-CD1 4.23Å; V168-L236 HydrophobicContact CG1-CD2 4.08Å; V168-L236 HydrophobicContact CG2-CD1 4.21Å; V168-L236 HydrophobicContact CG2-CD2 3.97Å
169S97.8Very high95.6Very high0 Ų048 Ų480%027%0.266CS..EExtended strand (participates in β ladder)trans-89.5131.3169.3-161.40000110.9D171 G174 A190 I192S169-D171 WeakPolarHBondContact CB-O 3.36Å; S169-D171 PolarHBondContact O-N 3.48Å; S169-D171 PolarHBondContact OG-O 3.28Å; S169-G174 WeakPolarHBondContact OG-CA 3.33Å; S169-G174 PolarHBondContact OG-O 3.43Å; S169-A190 PolarHBondContact N-O 3.43Å; S169-I192 PolarHBondContact O-N 2.75Å
170P94.8Very high95.6Very high1 Ų149.8 Ų49.81%0.00628%0.278CS..SBendtrans-73.3-14.9178.730-35000113.4L218 V219 D220 T228P170-L218 HydrophobicContact CB-CD2 4.24Å; P170-V219 WeakPolarHBondContact CD-O 3.34Å; P170-D220 HydrophobicContact CG-CB 3.87Å; P170-D220 WeakPolarHBondContact CG-OD2 3.34Å; P170-T228 HydrophobicContact CB-CG2 4.38Å
171D91.4Very high95.6Very high64 Ų6444.9 Ų44.934%0.34225%0.246SC..SBendtrans-147.8178.6175.368.642.4000112.6S169 G173 G174 I192S169-D171 WeakPolarHBondContact CB-O 3.36Å; S169-D171 PolarHBondContact O-N 3.48Å; S169-D171 PolarHBondContact OG-O 3.28Å; D171-G173 VanDerWaalsContact C-N 3.34Å; D171-G173 WeakPolarHBondContact OD1-CA 3.43Å; D171-G173 PolarHBondContact OD1-N 3.32Å; D171-G174 PolarHBondContact OD1-N 3.21Å; D171-I192 CarbonylContact C-O 3.57Å; D171-I192 WeakPolarHBondContact CA-O 3.24Å
172A88.6Confident95.6Very high54 Ų5440.7 Ų40.745%0.44623%0.227SC..SBendtrans-74.2-22.1-179.700000114.2L191A172-L191 HydrophobicContact CB-CD2 4.45Å
173G88.1Confident95.6Very high69 Ų6944.1 Ų44.171%0.71125%0.249SC*.THydrogen-bonded Turntrans-72.5-33.1-17900000112.5D171 A175D171-G173 VanDerWaalsContact C-N 3.34Å; D171-G173 WeakPolarHBondContact OD1-CA 3.43Å; D171-G173 PolarHBondContact OD1-N 3.32Å; G173-A175 VanDerWaalsContact C-N 3.26Å; G173-A175 PolarHBondContact O-N 2.92Å
174G92.5Very high95.6Very high1 Ų142.1 Ų42.11%0.0124%0.237CC..THydrogen-bonded Turntrans-78.73.417900000115.7S169 D171 K176 R177 V178S169-G174 WeakPolarHBondContact OG-CA 3.33Å; S169-G174 PolarHBondContact OG-O 3.43Å; D171-G174 PolarHBondContact OD1-N 3.21Å; G174-K176 PolarHBondContact O-N 2.55Å; G174-R177 WeakPolarHBondContact O-CB 3.42Å; G174-R177 PolarHBondContact O-N 2.85Å; G174-R177 VanDerWaalsContact O-N 3.09Å; G174-V178 PolarHBondContact O-N 3.17Å
175A94.4Very high95.7Very high30 Ų3036.7 Ų36.725%0.24821%0.208CC..Hα-helixtrans-52.9-49.5-175.600000113.2G173 R177 V178 T179 L191G173-A175 VanDerWaalsContact C-N 3.26Å; G173-A175 PolarHBondContact O-N 2.92Å; A175-R177 VanDerWaalsContact C-N 3.27Å; A175-R177 PolarHBondContact O-N 3.36Å; A175-V178 VanDerWaalsContact O-CG2 3.22Å; A175-V178 WeakPolarHBondContact O-CG2 3.19Å; A175-V178 PolarHBondContact O-N 3.28Å; A175-T179 WeakPolarHBondContact O-CG2 3.49Å; A175-T179 PolarHBondContact O-N 2.89Å; A175-T179 PolarHBondContact O-OG1 2.89Å; A175-L191 HydrophobicContact CB-CD1 3.64Å
176K94.8Very high95.7Very high176 Ų17643.7 Ų43.777%0.76525%0.245SC*.Hα-helixtrans-62.4-33.9-179.3-70.3-175176.8-176.80113G174 T179 S180G174-K176 PolarHBondContact O-N 2.55Å; K176-T179 WeakPolarHBondContact CA-OG1 3.3Å; K176-T179 PolarHBondContact O-OG1 3.06Å; K176-S180 PolarHBondContact O-N 3.22Å
177R95.9Very high95.6Very high63 Ų6344.8 Ų44.824%0.23825%0.252CS..Hα-helixtrans-67.6-48.5-179.9-172.4-173.7-55.5126.5-0.7110.3G174 A175 S180 I181 V219 D220 D221G174-R177 WeakPolarHBondContact O-CB 3.42Å; G174-R177 PolarHBondContact O-N 2.85Å; G174-R177 VanDerWaalsContact O-N 3.09Å; A175-R177 VanDerWaalsContact C-N 3.27Å; A175-R177 PolarHBondContact O-N 3.36Å; R177-S180 PolarHBondContact O-N 3.46Å; R177-I181 HydrophobicContact CG-CD1 4.5Å; R177-I181 PolarHBondContact O-N 2.75Å; R177-V219 HydrophobicContact CG-CG1 4.48Å; R177-D220 IonicContact CZ-OD1 3.92Å; R177-D220 IonicContact NH1-OD1 3.43Å; R177-D220 PolarHBondContact NH1-OD1 3.38Å; R177-D221 VanDerWaalsContact CZ-N 3.25Å; R177-D221 IonicContact CZ-OD1 3.85Å; R177-D221 VanDerWaalsContact CZ-OD1 3.25Å; R177-D221 IonicContact NH1-OD1 3.69Å; R177-D221 PolarHBondContact NH1-OD1 2.66Å; R177-D221 IonicContact NH2-OD1 2.56Å; R177-D221 PolarHBondContact NH2-OD1 3.06Å; R177-D221 IonicContact NH2-OD2 3.07Å
178V97.1Very high95.6Very high0 Ų049 Ų490%027%0.272CS..Hα-helixtrans-70.8-35.5-178.1-58.30000112.7I167 G174 A175 I181 A182 F189 V219I167-V178 HydrophobicContact CB-CB 4.49Å; I167-V178 HydrophobicContact CG2-CB 3.74Å; I167-V178 HydrophobicContact CG2-CG1 3.98Å; G174-V178 PolarHBondContact O-N 3.17Å; A175-V178 VanDerWaalsContact O-CG2 3.22Å; A175-V178 WeakPolarHBondContact O-CG2 3.19Å; A175-V178 PolarHBondContact O-N 3.28Å; V178-I181 PolarHBondContact O-N 2.83Å; V178-A182 VanDerWaalsContact O-CB 3.23Å; V178-A182 WeakPolarHBondContact O-CB 3.31Å; V178-A182 PolarHBondContact O-N 3.4Å; V178-F189 HydrophobicContact CG2-CD2 4.3Å; V178-V219 HydrophobicContact CG1-CB 4.18Å
179T96.9Very high95.6Very high38 Ų3853.6 Ų53.623%0.23329%0.292CS..Hα-helixtrans-65-41.3175.454.60000111.4A175 K176 I181 A182 D183 F189A175-T179 WeakPolarHBondContact O-CG2 3.49Å; A175-T179 PolarHBondContact O-N 2.89Å; A175-T179 PolarHBondContact O-OG1 2.89Å; K176-T179 WeakPolarHBondContact CA-OG1 3.3Å; K176-T179 PolarHBondContact O-OG1 3.06Å; T179-I181 PolarHBondContact O-N 3.28Å; T179-A182 PolarHBondContact O-N 3.32Å; T179-D183 WeakPolarHBondContact O-CB 3.45Å; T179-D183 PolarHBondContact O-N 3.04Å; T179-F189 HydrophobicContact CG2-CD1 3.96Å; T179-F189 HydrophobicContact CG2-CD2 3.87Å; T179-F189 HydrophobicContact CG2-CE1 3.81Å; T179-F189 HydrophobicContact CG2-CE2 3.71Å; T179-F189 HydrophobicContact CG2-CG 3.99Å; T179-F189 HydrophobicContact CG2-CZ 3.69Å
180S96.6Very high95.6Very high38 Ų3853.7 Ų53.727%0.26629%0.292SS..Hα-helixtrans-58.2-46.6176.3-173.90000112.1E148 K176 R177 R184E148-S180 PolarHBondContact OE1-OG 3.33Å; K176-S180 PolarHBondContact O-N 3.22Å; R177-S180 PolarHBondContact O-N 3.46Å; S180-R184 WeakPolarHBondContact O-CG 3.27Å; S180-R184 PolarHBondContact O-N 2.82Å; S180-R184 VanDerWaalsContact O-N 3.13Å
181I97.7Very high95.7Very high4 Ų455 Ų552%0.02130%0.299CS..Hα-helixtrans-67.1-44.6179.2-65.9170.1000110.7E148 V151 L152 I155 I167 R177 V178 T179 R184 L185 V219E148-I181 HydrophobicContact CG-CG1 4.1Å; V151-I181 HydrophobicContact CG1-CD1 4.48Å; L152-I181 HydrophobicContact CD2-CG2 3.94Å; I155-I181 HydrophobicContact CD1-CG2 4.33Å; I167-I181 HydrophobicContact CD1-CG2 4.19Å; I167-I181 HydrophobicContact CG1-CG2 4.11Å; I167-I181 HydrophobicContact CG2-CB 4.43Å; I167-I181 HydrophobicContact CG2-CG2 4.27Å; R177-I181 HydrophobicContact CG-CD1 4.5Å; R177-I181 PolarHBondContact O-N 2.75Å; V178-I181 PolarHBondContact O-N 2.83Å; T179-I181 PolarHBondContact O-N 3.28Å; I181-R184 PolarHBondContact O-N 3.33Å; I181-L185 HydrophobicContact CG2-CD1 3.94Å; I181-L185 WeakPolarHBondContact O-CG 3.47Å; I181-L185 PolarHBondContact O-N 2.95Å; I181-V219 HydrophobicContact CD1-CB 4.37Å; I181-V219 HydrophobicContact CD1-CG1 3.68Å; I181-V219 HydrophobicContact CD1-CG2 4.29Å
182A97.9Very high95.9Very high0 Ų052 Ų520%028%0.283CS..Hα-helixtrans-61-45.1179.300000111.8I167 V178 T179 R184 L185 N186 V187 F189I167-A182 HydrophobicContact CB-CB 4.23Å; I167-A182 HydrophobicContact CG1-CB 4Å; V178-A182 VanDerWaalsContact O-CB 3.23Å; V178-A182 WeakPolarHBondContact O-CB 3.31Å; V178-A182 PolarHBondContact O-N 3.4Å; T179-A182 PolarHBondContact O-N 3.32Å; A182-R184 PolarHBondContact O-N 3.21Å; A182-L185 CarbonylContact O-C 3.59Å; A182-L185 PolarHBondContact O-N 3.06Å; A182-N186 WeakPolarHBondContact O-CA 3.35Å; A182-N186 PolarHBondContact O-N 3.01Å; A182-V187 HydrophobicContact CB-CG2 4.21Å; A182-V187 PolarHBondContact O-N 3.28Å; A182-F189 HydrophobicContact CB-CB 3.85Å
183D97.4Very high95.9Very high120 Ų12053.4 Ų53.464%0.64228%0.28SS*.Hα-helixtrans-61.8-42.8177.4-69.1-18.5000111.4T179 L185 N186T179-D183 WeakPolarHBondContact O-CB 3.45Å; T179-D183 PolarHBondContact O-N 3.04Å; D183-L185 VanDerWaalsContact C-N 3.33Å; D183-L185 PolarHBondContact O-N 2.87Å; D183-N186 PolarHBondContact O-N 3.49Å; D183-N186 VanDerWaalsContact O-N 3.14Å
184R96.8Very high95.6Very high104 Ų10453 Ų5339%0.39226%0.259SS..Hα-helixtrans-70.4-25.4178.2-72.7-177.4-175.7-160.710.4114E148 L152 R156 S180 I181 A182E148-R184 VanDerWaalsContact OE1-CD 3.26Å; E148-R184 WeakPolarHBondContact OE1-CD 3.42Å; E148-R184 IonicContact OE1-CZ 2.82Å; E148-R184 IonicContact OE1-NE 3.86Å; E148-R184 PolarHBondContact OE1-NE 2.84Å; E148-R184 IonicContact OE1-NH1 3.56Å; E148-R184 IonicContact OE1-NH2 2.75Å; E148-R184 IonicContact OE2-CZ 3.67Å; E148-R184 IonicContact OE2-NH1 3.25Å; E148-R184 IonicContact OE2-NH2 3.58Å; L152-R184 HydrophobicContact CD1-CB 4.06Å; L152-R184 HydrophobicContact CD1-CG 4.48Å; L152-R184 HydrophobicContact CD2-CB 4.11Å; R156-R184 PolarHBondContact NH2-O 3.26Å; S180-R184 WeakPolarHBondContact O-CG 3.27Å; S180-R184 PolarHBondContact O-N 2.82Å; S180-R184 VanDerWaalsContact O-N 3.13Å; I181-R184 PolarHBondContact O-N 3.33Å; A182-R184 PolarHBondContact O-N 3.21Å
185L97.1Very high94.9Very high9 Ų957 Ų575%0.04728%0.277CS..Hα-helixtrans-89.7-11.7171.8-67.2176000112.2L152 I155 R156 W162 I167 I181 A182 D183 V187L152-L185 HydrophobicContact CD2-CD1 4Å; L152-L185 HydrophobicContact CD2-CD2 3.59Å; L152-L185 HydrophobicContact CD2-CG 3.47Å; L152-L185 VanDerWaalsContact CD2-CG 3.47Å; I155-L185 HydrophobicContact CD1-CD1 3.97Å; I155-L185 HydrophobicContact CG2-CD1 3.96Å; R156-L185 HydrophobicContact CG-CD2 4.11Å; W162-L185 HydrophobicContact CE3-CB 4.39Å; W162-L185 HydrophobicContact CE3-CD2 3.98Å; W162-L185 HydrophobicContact CZ3-CB 4.22Å; W162-L185 HydrophobicContact CZ3-CD2 3.93Å; W162-L185 WeakPolarHBondContact CZ3-O 3.47Å; I167-L185 HydrophobicContact CD1-CD1 4.03Å; I181-L185 HydrophobicContact CG2-CD1 3.94Å; I181-L185 WeakPolarHBondContact O-CG 3.47Å; I181-L185 PolarHBondContact O-N 2.95Å; A182-L185 CarbonylContact O-C 3.59Å; A182-L185 PolarHBondContact O-N 3.06Å; D183-L185 VanDerWaalsContact C-N 3.33Å; D183-L185 PolarHBondContact O-N 2.87Å; L185-V187 HydrophobicContact CB-CG1 4Å; L185-V187 HydrophobicContact CB-CG2 3.86Å
186N97.7Very high93.7Very high147 Ų14765.7 Ų65.779%0.78630%0.304SS*.THydrogen-bonded Turntrans53.750.6-170.5-170.459000112.1A182 D183A182-N186 WeakPolarHBondContact O-CA 3.35Å; A182-N186 PolarHBondContact O-N 3.01Å; D183-N186 PolarHBondContact O-N 3.49Å; D183-N186 VanDerWaalsContact O-N 3.14Å
187V98.1Very high91.9Very high22 Ų2262 Ų6213%0.13329%0.288CS..  trans-126.9170.7179.2-57.50000110.8W162 I167 A182 L185W162-V187 WeakPolarHBondContact O-CG1 3.5Å; I167-V187 HydrophobicContact CD1-CG2 4.24Å; I167-V187 HydrophobicContact CG1-CG2 3.78Å; A182-V187 HydrophobicContact CB-CG2 4.21Å; A182-V187 PolarHBondContact O-N 3.28Å; L185-V187 HydrophobicContact CB-CG1 4Å; L185-V187 HydrophobicContact CB-CG2 3.86Å
188E97.3Very high89.9Confident89 Ų8967.8 Ų67.842%0.41632%0.315SS..EExtended strand (participates in β ladder)trans-77.5160.6177.3-74.2178.3-141.100112.4C166 I167 R214C166-E188 WeakPolarHBondContact CA-O 3.36Å; I167-E188 PolarHBondContact N-O 3.4Å; E188-R214 VanDerWaalsContact CD-NH2 3.34Å; E188-R214 IonicContact OE1-CZ 2.71Å; E188-R214 VanDerWaalsContact OE1-CZ 3.28Å; E188-R214 IonicContact OE1-NH1 3.89Å; E188-R214 PolarHBondContact OE1-NH1 3.34Å; E188-R214 IonicContact OE1-NH2 3.74Å; E188-R214 PolarHBondContact OE1-NH2 3.33Å; E188-R214 IonicContact OE2-CZ 3.58Å; E188-R214 IonicContact OE2-NH1 3.86Å; E188-R214 PolarHBondContact OE2-NH1 2.82Å; E188-R214 IonicContact OE2-NH2 3.18Å; E188-R214 PolarHBondContact OE2-NH2 2.84Å
189F98Very high87.2Confident97 Ų9772.4 Ų72.443%0.42535%0.352SS..EExtended strand (participates in β ladder)trans-127.7154.2171.877.4-84.8000111.6C166 I167 V178 T179 A182C166-F189 VanDerWaalsContact SG-C 3.52Å; I167-F189 CarbonylContact O-C 3.6Å; I167-F189 WeakPolarHBondContact O-CA 3.22Å; I167-F189 WeakPolarHBondContact O-CB 3.38Å; V178-F189 HydrophobicContact CG2-CD2 4.3Å; T179-F189 HydrophobicContact CG2-CD1 3.96Å; T179-F189 HydrophobicContact CG2-CD2 3.87Å; T179-F189 HydrophobicContact CG2-CE1 3.81Å; T179-F189 HydrophobicContact CG2-CE2 3.71Å; T179-F189 HydrophobicContact CG2-CG 3.99Å; T179-F189 HydrophobicContact CG2-CZ 3.69Å; A182-F189 HydrophobicContact CB-CB 3.85Å
190A97.8Very high85Confident1 Ų178.9 Ų78.91%0.00839%0.386CS..EExtended strand (participates in β ladder)trans-134.1164.217300000110.5C166 I167 V168 S169 L207 V208 V211C166-A190 PolarHBondContact SG-N 3.22Å; C166-A190 VanDerWaalsContact SG-N 3.45Å; I167-A190 PolarHBondContact O-N 2.56Å; V168-A190 WeakPolarHBondContact CA-O 3.19Å; V168-A190 HydrophobicContact CG1-CB 4.41Å; V168-A190 HydrophobicContact CG2-CB 4.23Å; S169-A190 PolarHBondContact N-O 3.43Å; A190-L207 HydrophobicContact CB-CD1 4Å; A190-V208 CarbonylContact C-O 3.51Å; A190-V208 VanDerWaalsContact CA-O 3.24Å; A190-V208 WeakPolarHBondContact CA-O 3.23Å; A190-V208 WeakPolarHBondContact CB-O 3.47Å; A190-V211 HydrophobicContact CB-CG1 3.92Å
191L97.1Very high82.9Confident30 Ų3082.5 Ų82.516%0.15740%0.398CS..EExtended strand (participates in β ladder)trans-137.2134.1-176.7-170.7150000110.1A172 A175 H193 V208A172-L191 HydrophobicContact CB-CD2 4.45Å; A175-L191 HydrophobicContact CB-CD1 3.64Å; L191-H193 HydrophobicContact CD2-CB 4.21Å; L191-V208 PolarHBondContact N-O 3.43Å; L191-V208 PolarHBondContact O-N 3.32Å
192I95.1Very high81Confident0 Ų088.8 Ų88.80%044%0.437CS..EExtended strand (participates in β ladder)trans-99.8122.1171.9-66.7168.6000108.4V168 S169 D171 M205 V206 L207 L218 A232 L236V168-I192 HydrophobicContact CG1-CD1 3.99Å; V168-I192 HydrophobicContact CG1-CG1 4.15Å; S169-I192 PolarHBondContact O-N 2.75Å; D171-I192 CarbonylContact C-O 3.57Å; D171-I192 WeakPolarHBondContact CA-O 3.24Å; I192-M205 HydrophobicContact CG2-CB 3.99Å; I192-M205 HydrophobicContact CG2-CG 4.06Å; I192-M205 HydrophobicContact CG2-SD 4.06Å; I192-V206 CarbonylContact C-O 3.59Å; I192-V206 WeakPolarHBondContact CA-O 3.36Å; I192-L207 HydrophobicContact CD1-CD1 4.38Å; I192-L207 HydrophobicContact CG1-CD1 3.65Å; I192-L218 HydrophobicContact CD1-CD2 4.38Å; I192-A232 HydrophobicContact CD1-CB 3.51Å; I192-L236 HydrophobicContact CD1-CD2 4.47Å; I192-L236 HydrophobicContact CD1-CG 4.26Å
193H89.9Confident79.5Confident83 Ų8391.6 Ų91.638%0.38445%0.452SS..EExtended strand (participates in β ladder)trans-104.8123.6171.5-172.965.7000109.7L191 V206L191-H193 HydrophobicContact CD2-CB 4.21Å; H193-V206 PolarHBondContact N-O 3.31Å; H193-V206 PolarHBondContact O-N 3.09Å
194K81.9Confident78.7Confident61 Ų6193.9 Ų93.927%0.26545%0.451SS..EExtended strand (participates in β ladder)trans-90.4106.3173.7-172.1-178.2178.2-170.10109.8R196 D203K194-R196 PolarHBondContact O-N 2.66Å; K194-D203 WeakPolarHBondContact CE-OD2 3.28Å; K194-D203 HydrophobicContact CG-CB 4.44Å; K194-D203 IonicContact NZ-OD2 2.7Å; K194-D203 PolarHBondContact NZ-OD2 3.29Å
195E78.3Confident78.2Confident85 Ų8590.1 Ų90.140%0.39744%0.439SS..EExtended strand (participates in β ladder)trans-75109.5168.5-70.8-172.8164.500109.1K197 R204 V206E195-K197 PolarHBondContact O-N 3.22Å; E195-R204 PolarHBondContact N-O 3.31Å; E195-R204 PolarHBondContact O-N 3.05Å; E195-V206 HydrophobicContact CG-CG2 4.48Å
196R68Low78Confident212 Ų21291.9 Ų91.980%0.845%0.45SS*.  trans-80.5113.1172.2-63.7-173.3-172.4-172.82.8108.9K194 D203K194-R196 PolarHBondContact O-N 2.66Å; R196-D203 WeakPolarHBondContact CA-OD1 3.42Å
197K57.9Low77.9Confident100 Ų10086.6 Ų86.644%0.43542%0.421SS..PPolyproline II helixtrans-91.1168.9175.2-71.9-161.5176.71800111.8E195 E201 D203E195-K197 PolarHBondContact O-N 3.22Å; K197-E201 HydrophobicContact CB-CB 3.85Å; K197-E201 HydrophobicContact CD-CB 4.02Å; K197-E201 WeakPolarHBondContact CD-OE2 3.37Å; K197-E201 WeakPolarHBondContact CE-OE2 3.1Å; K197-E201 IonicContact NZ-OE2 2.7Å; K197-E201 PolarHBondContact NZ-OE2 3.45Å; K197-D203 PolarHBondContact N-OD1 2.94Å
198K52.7Low77.7Confident184 Ų18489.9 Ų89.980%0.844%0.441SS*.PPolyproline II helixtrans-61.8164.8178.7-71-179.7179.8176.50111.2N200 E201K198-N200 PolarHBondContact O-N 2.82Å; K198-E201 PolarHBondContact O-N 2.69Å
199A41.7Very low77.6Confident96 Ų9687.8 Ų87.879%0.79344%0.444SS*.THydrogen-bonded Turntrans-48.8130.3174.800000111.1
200N50.3Low77.4Confident174 Ų17487.1 Ų87.193%0.9345%0.445SS*.THydrogen-bonded Turntrans87.96.5-178.7-52.2-24.1000118.2K198K198-N200 PolarHBondContact O-N 2.82Å
201E53Low77.4Confident114 Ų11487.2 Ų87.253%0.53345%0.445SS..SBendtrans-113.2144.9168.1-73.3-172.8-133.400112K197 K198K197-E201 HydrophobicContact CB-CB 3.85Å; K197-E201 HydrophobicContact CD-CB 4.02Å; K197-E201 WeakPolarHBondContact CD-OE2 3.37Å; K197-E201 WeakPolarHBondContact CE-OE2 3.1Å; K197-E201 IonicContact NZ-OE2 2.7Å; K197-E201 PolarHBondContact NZ-OE2 3.45Å; K198-E201 PolarHBondContact O-N 2.69Å
202V56.5Low77.5Confident136 Ų13691.6 Ų91.682%0.82446%0.463SS*.PPolyproline II helixtrans-73.2126.9175.5-177.20000109R204V202-R204 PolarHBondContact O-N 3.35Å
203D67.8Low77.6Confident60 Ų6097 Ų9732%0.32149%0.492SS..PPolyproline II helixtrans-54.9133.2175.4-69-35.5000111.3K194 R196 K197K194-D203 WeakPolarHBondContact CE-OD2 3.28Å; K194-D203 HydrophobicContact CG-CB 4.44Å; K194-D203 IonicContact NZ-OD2 2.7Å; K194-D203 PolarHBondContact NZ-OD2 3.29Å; R196-D203 WeakPolarHBondContact CA-OD1 3.42Å; K197-D203 PolarHBondContact N-OD1 2.94Å
204R80.1Confident77.9Confident167 Ų16796 Ų9663%0.6348%0.484SS*.EExtended strand (participates in β ladder)trans-101.5133.3178.2-168.7178.3-178.2-176.61.2110.4E195 V202E195-R204 PolarHBondContact N-O 3.31Å; E195-R204 PolarHBondContact O-N 3.05Å; V202-R204 PolarHBondContact O-N 3.35Å
205M86.4Confident78.7Confident25 Ų2593.2 Ų93.212%0.12347%0.473CS..EExtended strand (participates in β ladder)trans-96.9123.7168.8-73.5-174.9172.300109.9I192 T228 K231 K235I192-M205 HydrophobicContact CG2-CB 3.99Å; I192-M205 HydrophobicContact CG2-CG 4.06Å; I192-M205 HydrophobicContact CG2-SD 4.06Å; M205-T228 HydrophobicContact CE-CG2 4.24Å; M205-K231 HydrophobicContact CE-CB 3.52Å; M205-K231 HydrophobicContact CE-CD 4.26Å; M205-K231 HydrophobicContact SD-CB 3.74Å; M205-K235 HydrophobicContact CB-CG 4.39Å
206V91.8Very high79.7Confident47 Ų4789.2 Ų89.229%0.28545%0.454SS..EExtended strand (participates in β ladder)trans-105.7125176-178.50000107.9I192 H193 E195 V208I192-V206 CarbonylContact C-O 3.59Å; I192-V206 WeakPolarHBondContact CA-O 3.36Å; H193-V206 PolarHBondContact N-O 3.31Å; H193-V206 PolarHBondContact O-N 3.09Å; E195-V206 HydrophobicContact CG-CG2 4.48Å; V206-V208 HydrophobicContact CG1-CG2 4.5Å
207L95.4Very high81.1Confident36 Ų3679.1 Ų79.119%0.18842%0.416CS..EExtended strand (participates in β ladder)trans-94.1131173.5179.767.1000108.8A190 I192 V211 L236 A239A190-L207 HydrophobicContact CB-CD1 4Å; I192-L207 HydrophobicContact CD1-CD1 4.38Å; I192-L207 HydrophobicContact CG1-CD1 3.65Å; L207-V211 HydrophobicContact CD2-CG1 4.22Å; L207-V211 HydrophobicContact CD2-CG2 3.69Å; L207-L236 HydrophobicContact CD1-CD2 4.06Å; L207-L236 HydrophobicContact CD2-CD2 4.25Å; L207-A239 HydrophobicContact CD2-CB 3.66Å
208V95.3Very high83.1Confident90 Ų9074.3 Ų74.355%0.54540%0.395SS..EExtended strand (participates in β ladder)trans-117.5119.8172.5-178.20000107.8A190 L191 V206A190-V208 CarbonylContact C-O 3.51Å; A190-V208 VanDerWaalsContact CA-O 3.24Å; A190-V208 WeakPolarHBondContact CA-O 3.23Å; A190-V208 WeakPolarHBondContact CB-O 3.47Å; L191-V208 PolarHBondContact N-O 3.43Å; L191-V208 PolarHBondContact O-N 3.32Å; V206-V208 HydrophobicContact CG1-CG2 4.5Å
209G94.3Very high85.3Confident46 Ų4665.9 Ų65.947%0.47436%0.359SS..SBendtrans117.8167.5-171.100000111.7
210D94.8Very high87.9Confident83 Ų8362.3 Ų62.344%0.44433%0.326SS..  trans-107.9125.8179.2-174.821.1000110.8K212D210-K212 VanDerWaalsContact OD1-CB 3.32Å; D210-K212 WeakPolarHBondContact OD1-CB 3.42Å; D210-K212 PolarHBondContact OD1-N 3.17Å
211V97.4Very high90.2Very high2 Ų254.2 Ų54.21%0.01228%0.283CS..  trans-123.12.1179.5-57.20000111.8C166 V168 A190 L207 D213 R214 L236 A239 A241C166-V211 HydrophobicContact CB-CG1 4.27Å; V168-V211 HydrophobicContact CG2-CG1 4.3Å; A190-V211 HydrophobicContact CB-CG1 3.92Å; L207-V211 HydrophobicContact CD2-CG1 4.22Å; L207-V211 HydrophobicContact CD2-CG2 3.69Å; V211-D213 PolarHBondContact O-N 3.11Å; V211-R214 PolarHBondContact O-N 3.31Å; V211-L236 HydrophobicContact CB-CD2 4.2Å; V211-L236 HydrophobicContact CG1-CD2 3.78Å; V211-L236 HydrophobicContact CG2-CD2 3.95Å; V211-A239 HydrophobicContact CG2-CB 3.64Å; V211-A241 HydrophobicContact CG2-CB 4.39Å; V211-A241 WeakPolarHBondContact O-CA 3.36Å
212K97.9Very high92.3Very high122 Ų12249.3 Ų49.353%0.5326%0.261SS..THydrogen-bonded Turntrans-66.9133.9-174.1-174.2-176.6172.9-175.10110.4D210 R214D210-K212 VanDerWaalsContact OD1-CB 3.32Å; D210-K212 WeakPolarHBondContact OD1-CB 3.42Å; D210-K212 PolarHBondContact OD1-N 3.17Å; K212-R214 WeakPolarHBondContact O-CG 3.22Å; K212-R214 PolarHBondContact O-N 3.35Å
213D97.4Very high94.2Very high115 Ų11543.2 Ų43.262%0.61522%0.224SC*.THydrogen-bonded Turntrans57.228.4179.6-54.8-46000112.6V211 G240 I242V211-D213 PolarHBondContact O-N 3.11Å; D213-G240 PolarHBondContact N-O 3.06Å; D213-I242 WeakPolarHBondContact O-CD1 3.28Å
214R97.5Very high95.6Very high60 Ų6042.6 Ų42.623%0.22622%0.221CC..SBendtrans-128.1158.8177.9-63.1179.5-165-145.513.8111.8N164 E188 V211 K212 A241 I242N164-R214 WeakPolarHBondContact O-CG 3.32Å; E188-R214 VanDerWaalsContact CD-NH2 3.34Å; E188-R214 IonicContact OE1-CZ 2.71Å; E188-R214 VanDerWaalsContact OE1-CZ 3.28Å; E188-R214 IonicContact OE1-NH1 3.89Å; E188-R214 PolarHBondContact OE1-NH1 3.34Å; E188-R214 IonicContact OE1-NH2 3.74Å; E188-R214 PolarHBondContact OE1-NH2 3.33Å; E188-R214 IonicContact OE2-CZ 3.58Å; E188-R214 IonicContact OE2-NH1 3.86Å; E188-R214 PolarHBondContact OE2-NH1 2.82Å; E188-R214 IonicContact OE2-NH2 3.18Å; E188-R214 PolarHBondContact OE2-NH2 2.84Å; V211-R214 PolarHBondContact O-N 3.31Å; K212-R214 WeakPolarHBondContact O-CG 3.22Å; K212-R214 PolarHBondContact O-N 3.35Å; R214-A241 CarbonylContact O-C 3.51Å; R214-A241 WeakPolarHBondContact O-CA 3.24Å; R214-I242 PolarHBondContact O-N 2.86Å
215V98.4Very high96.4Very high4 Ų437.3 Ų37.32%0.02421%0.207CC..EExtended strand (participates in β ladder)trans-76.5126166174.90000108.6I159 E161 S165 C166 I217 K243 Y245I159-V215 HydrophobicContact CG2-CG1 4.08Å; E161-V215 HydrophobicContact CB-CG2 3.89Å; E161-V215 HydrophobicContact CG-CG2 4.4Å; S165-V215 CarbonylContact C-O 3.55Å; S165-V215 WeakPolarHBondContact CA-O 3.41Å; S165-V215 WeakPolarHBondContact CB-O 3.44Å; C166-V215 PolarHBondContact N-O 2.95Å; V215-I217 HydrophobicContact CG1-CG1 4.24Å; V215-K243 HydrophobicContact CG1-CB 4.47Å; V215-K243 HydrophobicContact CG2-CB 4.41Å; V215-Y245 HydrophobicContact CG1-CD2 3.62Å; V215-Y245 HydrophobicContact CG1-CE2 3.66Å
216A98.6Very high96.9Very high0 Ų036.4 Ų36.40%020%0.203CC..EExtended strand (participates in β ladder)trans-101.1129.7176.700000110.5C166 V168 L236 A241 K243 V244 Y245C166-A216 WeakPolarHBondContact O-CA 3.34Å; V168-A216 HydrophobicContact CG2-CB 4.05Å; A216-L236 HydrophobicContact CB-CB 4.39Å; A216-L236 HydrophobicContact CB-CD1 3.86Å; A216-L236 HydrophobicContact CB-CD2 4.16Å; A216-L236 HydrophobicContact CB-CG 4.37Å; A216-A241 HydrophobicContact CB-CB 3.91Å; A216-K243 PolarHBondContact N-O 2.79Å; A216-V244 HydrophobicContact CB-CG2 4.47Å; A216-V244 CarbonylContact O-C 3.38Å; A216-V244 VanDerWaalsContact O-CA 3.32Å; A216-V244 WeakPolarHBondContact O-CA 3.34Å; A216-Y245 PolarHBondContact O-N 3.21Å
217I98.8Very high97Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-117.2100.6-178.8-52.9172000107.8I155 I159 C166 I167 V168 V215 V219 I247I155-I217 HydrophobicContact CD1-CD1 4.44Å; I155-I217 HydrophobicContact CG1-CD1 4.41Å; I155-I217 HydrophobicContact CG2-CD1 4.02Å; I159-I217 HydrophobicContact CD1-CD1 3.53Å; I159-I217 HydrophobicContact CD1-CG1 3.92Å; C166-I217 PolarHBondContact O-N 2.74Å; I167-I217 HydrophobicContact CD1-CB 4.03Å; I167-I217 HydrophobicContact CD1-CD1 3.9Å; I167-I217 HydrophobicContact CD1-CG1 4.43Å; V168-I217 PolarHBondContact N-O 3.31Å; V215-I217 HydrophobicContact CG1-CG1 4.24Å; I217-V219 HydrophobicContact CG2-CG2 4.07Å; I217-V219 PolarHBondContact O-N 3.13Å; I217-I247 HydrophobicContact CG2-CD1 3.64Å; I217-I247 HydrophobicContact CG2-CG1 3.92Å
218L98.7Very high96.9Very high0 Ų036.3 Ų36.30%021%0.208CC..EExtended strand (participates in β ladder)trans-68.7126.2172.9-77.7160.8000109.4V168 P170 I192 I229 A232 A233 L236 V244 Y245 A246 I247 F266V168-L218 HydrophobicContact CB-CD2 3.89Å; V168-L218 HydrophobicContact CB-CG 4.38Å; V168-L218 HydrophobicContact CG1-CD2 3.77Å; V168-L218 WeakPolarHBondContact O-CA 3.4Å; P170-L218 HydrophobicContact CB-CD2 4.24Å; I192-L218 HydrophobicContact CD1-CD2 4.38Å; L218-I229 HydrophobicContact CB-CD1 4.24Å; L218-I229 HydrophobicContact CB-CG1 4.25Å; L218-I229 HydrophobicContact CD1-CG1 3.89Å; L218-A232 HydrophobicContact CD1-CB 3.96Å; L218-A232 HydrophobicContact CD2-CB 3.91Å; L218-A233 HydrophobicContact CD1-CB 4.16Å; L218-L236 HydrophobicContact CD1-CD1 3.79Å; L218-L236 HydrophobicContact CD2-CD1 3.96Å; L218-L236 HydrophobicContact CG-CD1 3.67Å; L218-V244 HydrophobicContact CD1-CG1 3.84Å; L218-V244 HydrophobicContact CG-CG1 4.43Å; L218-Y245 WeakPolarHBondContact CB-O 3.49Å; L218-Y245 PolarHBondContact N-O 2.71Å; L218-A246 HydrophobicContact CB-CB 4.44Å; L218-A246 CarbonylContact O-C 3.5Å; L218-A246 WeakPolarHBondContact O-CA 3.27Å; L218-I247 PolarHBondContact O-N 3.09Å; L218-F266 HydrophobicContact CD1-CE1 4.05Å
219V98.6Very high97Very high6 Ų632.4 Ų32.44%0.03618%0.184CC..EExtended strand (participates in β ladder)trans-124.1125.7176.1-175.30000110.7I167 V168 P170 R177 V178 I181 I217 I247I167-V219 HydrophobicContact CG2-CB 4.35Å; I167-V219 HydrophobicContact CG2-CG2 3.74Å; V168-V219 PolarHBondContact O-N 3Å; P170-V219 WeakPolarHBondContact CD-O 3.34Å; R177-V219 HydrophobicContact CG-CG1 4.48Å; V178-V219 HydrophobicContact CG1-CB 4.18Å; I181-V219 HydrophobicContact CD1-CB 4.37Å; I181-V219 HydrophobicContact CD1-CG1 3.68Å; I181-V219 HydrophobicContact CD1-CG2 4.29Å; I217-V219 HydrophobicContact CG2-CG2 4.07Å; I217-V219 PolarHBondContact O-N 3.13Å; V219-I247 WeakPolarHBondContact CA-O 3.48Å; V219-I247 HydrophobicContact CG2-CB 4.41Å
220D97.8Very high97.1Very high21 Ų2130.6 Ų30.611%0.11216%0.164CC..EExtended strand (participates in β ladder)trans-137.4161.5174.2-148.21.2000111.6P170 R177 I247 L248 T249P170-D220 HydrophobicContact CG-CB 3.87Å; P170-D220 WeakPolarHBondContact CG-OD2 3.34Å; R177-D220 IonicContact CZ-OD1 3.92Å; R177-D220 IonicContact NH1-OD1 3.43Å; R177-D220 PolarHBondContact NH1-OD1 3.38Å; D220-I247 PolarHBondContact N-O 3.23Å; D220-I247 VanDerWaalsContact N-O 3.08Å; D220-L248 HydrophobicContact CB-CD2 3.54Å; D220-L248 WeakPolarHBondContact O-CA 3.45Å; D220-T249 PolarHBondContact O-N 2.95Å
221D97.1Very high97.1Very high4 Ų431.8 Ų31.82%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-72.3-36.8174.852.2-55.1000110.7H130 R177 T249 H250H130-D221 WeakPolarHBondContact CA-OD2 3.41Å; H130-D221 IonicContact CE1-OD2 3.41Å; H130-D221 IonicContact CG-OD2 3.21Å; H130-D221 IonicContact ND1-OD1 3.68Å; H130-D221 IonicContact ND1-OD2 3.23Å; H130-D221 PolarHBondContact ND1-OD2 3.33Å; R177-D221 VanDerWaalsContact CZ-N 3.25Å; R177-D221 IonicContact CZ-OD1 3.85Å; R177-D221 VanDerWaalsContact CZ-OD1 3.25Å; R177-D221 IonicContact NH1-OD1 3.69Å; R177-D221 PolarHBondContact NH1-OD1 2.66Å; R177-D221 IonicContact NH2-OD1 2.56Å; R177-D221 PolarHBondContact NH2-OD1 3.06Å; R177-D221 IonicContact NH2-OD2 3.07Å; D221-T249 CarbonylContact O-C 3.54Å; D221-T249 WeakPolarHBondContact O-CA 3.31Å; D221-T249 WeakPolarHBondContact O-CB 3.34Å; D221-T249 PolarHBondContact O-N 3.21Å; D221-H250 PolarHBondContact O-CD2 2.66Å; D221-H250 VanDerWaalsContact O-CD2 3.25Å; D221-H250 PolarHBondContact O-N 3.21Å
222M97.4Very high97.1Very high12 Ų1231.7 Ų31.76%0.05917%0.165CC..EExtended strand (participates in β ladder)trans-157.3141.3-177.254.1173.280.900113.3R96 H130 H250 I252R96-M222 HydrophobicContact CG-SD 3.86Å; R96-M222 VanDerWaalsContact CZ-SD 3.56Å; R96-M222 PolarHBondContact NE-SD 3.29Å; R96-M222 VanDerWaalsContact NH2-CG 3.29Å; R96-M222 PolarHBondContact NH2-O 3.08Å; R96-M222 PolarHBondContact NH2-SD 3.38Å; H130-M222 HydrophobicContact CB-CE 4.15Å; M222-H250 VanDerWaalsContact CA-O 3.23Å; M222-H250 WeakPolarHBondContact CA-O 3.24Å; M222-H250 HydrophobicContact CB-CB 3.82Å; M222-H250 WeakPolarHBondContact CB-O 3.5Å; M222-I252 HydrophobicContact CB-CD1 4.34Å; M222-I252 HydrophobicContact SD-CD1 3.95Å
223A97.6Very high97.1Very high7 Ų725.9 Ų25.96%0.05814%0.14CC..EExtended strand (participates in β ladder)trans-118.3132.6168.900000111.9L248 H250 I252 F253A223-L248 HydrophobicContact CB-CD1 3.33Å; A223-L248 HydrophobicContact CB-CD2 3.82Å; A223-L248 HydrophobicContact CB-CG 4.19Å; A223-H250 PolarHBondContact N-O 3.2Å; A223-I252 WeakPolarHBondContact O-CB 3.49Å; A223-I252 PolarHBondContact O-N 2.84Å; A223-F253 HydrophobicContact CB-CD1 4.45Å; A223-F253 HydrophobicContact CB-CE1 4.05Å; A223-F253 PolarHBondContact O-N 2.77Å; A223-F253 VanDerWaalsContact O-N 3.1Å
224D96.4Very high97.1Very high47 Ų4725.3 Ų25.325%0.25113%0.133SC..SBendtrans-102-93.3-179178.124.8000111R96 C226 I252 F253 S254 A257R96-D224 IonicContact NH1-OD2 3.96Å; D224-C226 PolarHBondContact O-N 3.25Å; D224-I252 HydrophobicContact CB-CB 4.38Å; D224-I252 HydrophobicContact CB-CD1 4.44Å; D224-I252 HydrophobicContact CB-CG2 4.38Å; D224-I252 WeakPolarHBondContact OD1-CG2 3.4Å; D224-F253 CarbonylContact O-C 3.58Å; D224-F253 WeakPolarHBondContact O-CA 3.42Å; D224-F253 PolarHBondContact O-N 2.81Å; D224-S254 PolarHBondContact O-N 3.18Å; D224-S254 VanDerWaalsContact OD1-CB 3.25Å; D224-S254 WeakPolarHBondContact OD1-CB 3.48Å; D224-S254 PolarHBondContact OD1-OG 2.78Å; D224-A257 WeakPolarHBondContact O-CB 3.47Å
225T96.3Very high97.1Very high57 Ų5725.9 Ų25.935%0.3514%0.137SC..SBendtrans-78.20.9178.1670000114.1G227 R260T225-G227 PolarHBondContact O-N 2.89Å; T225-R260 VanDerWaalsContact O-CD 3.31Å; T225-R260 WeakPolarHBondContact O-CD 3.23Å; T225-R260 PolarHBondContact O-NH1 3.4Å; T225-R260 PolarHBondContact OG1-NH1 3.3Å
226C97.3Very high97Very high5 Ų525.7 Ų25.73%0.03414%0.136CC..  trans56.48.9-177.8-61.70000116.9D224 T228 I229 C230 F253 A257 I261D224-C226 PolarHBondContact O-N 3.25Å; C226-T228 PolarHBondContact O-N 3.3Å; C226-I229 HydrophobicContact CB-CG2 3.91Å; C226-I229 WeakPolarHBondContact O-CG2 3.32Å; C226-I229 PolarHBondContact O-N 3.41Å; C226-C230 WeakPolarHBondContact O-CB 3.42Å; C226-C230 PolarHBondContact O-N 3.43Å; C226-C230 PolarHBondContact O-SG 2.91Å; C226-F253 WeakPolarHBondContact SG-CD1 3.19Å; C226-A257 HydrophobicContact CB-CB 4.26Å; C226-I261 HydrophobicContact CB-CG1 4.29Å
227G94.5Very high97Very high19 Ų1928.8 Ų28.820%0.19615%0.152CC..Hα-helixtrans-63.6-39.1-177.500000113.9T225 K231T225-G227 PolarHBondContact O-N 2.89Å; G227-K231 WeakPolarHBondContact O-CG 3.34Å; G227-K231 PolarHBondContact O-N 2.86Å
228T93.2Very high96.9Very high63 Ų6335 Ų3539%0.38719%0.185SC..Hα-helixtrans-68.7-49.7177.2-54.80000111.1P170 M205 C226 C230 K231 A232P170-T228 HydrophobicContact CB-CG2 4.38Å; M205-T228 HydrophobicContact CE-CG2 4.24Å; C226-T228 PolarHBondContact O-N 3.3Å; T228-C230 PolarHBondContact O-N 3.07Å; T228-K231 PolarHBondContact O-N 3.14Å; T228-A232 WeakPolarHBondContact O-CB 3.29Å; T228-A232 PolarHBondContact O-N 3.48Å
229I96.4Very high96.9Very high8 Ų836.7 Ų36.74%0.04120%0.199CC..Hα-helixtrans-69.2-34.2-174.1-158164000112.6L218 C226 A232 A233 A246 L248 F266L218-I229 HydrophobicContact CB-CD1 4.24Å; L218-I229 HydrophobicContact CB-CG1 4.25Å; L218-I229 HydrophobicContact CD1-CG1 3.89Å; C226-I229 HydrophobicContact CB-CG2 3.91Å; C226-I229 WeakPolarHBondContact O-CG2 3.32Å; C226-I229 PolarHBondContact O-N 3.41Å; I229-A232 WeakPolarHBondContact O-CB 3.23Å; I229-A232 PolarHBondContact O-N 3Å; I229-A233 PolarHBondContact O-N 3.02Å; I229-A246 HydrophobicContact CD1-CB 3.66Å; I229-A246 HydrophobicContact CG1-CB 4.3Å; I229-L248 HydrophobicContact CD1-CD1 4.46Å; I229-L248 HydrophobicContact CD1-CD2 3.72Å; I229-L248 HydrophobicContact CD1-CG 4.3Å; I229-F266 HydrophobicContact CG1-CE1 4.5Å; I229-F266 HydrophobicContact CG1-CZ 4.12Å; I229-F266 HydrophobicContact CG2-CZ 4.2Å; I229-F266 WeakPolarHBondContact O-CZ 3.27Å
230C97.3Very high96.8Very high7 Ų737.8 Ų37.85%0.04721%0.212CC..Hα-helixtrans-67.3-44.7175.9-62.50000111.6C226 T228 A232 A233 E234 A264C226-C230 WeakPolarHBondContact O-CB 3.42Å; C226-C230 PolarHBondContact O-N 3.43Å; C226-C230 PolarHBondContact O-SG 2.91Å; T228-C230 PolarHBondContact O-N 3.07Å; C230-A232 VanDerWaalsContact C-N 3.29Å; C230-A232 PolarHBondContact O-N 2.98Å; C230-A233 WeakPolarHBondContact O-CB 3.44Å; C230-A233 PolarHBondContact O-N 2.66Å; C230-A233 VanDerWaalsContact O-N 3.12Å; C230-E234 PolarHBondContact O-N 3.46Å; C230-A264 HydrophobicContact CB-CB 3.93Å
231K95.3Very high96.9Very high109 Ų10937.2 Ų37.247%0.47421%0.21SC..Hα-helixtrans-63.9-35.8174.4-72.6-178.7177.2-168.30112.4M205 G227 T228 A233 K235M205-K231 HydrophobicContact CE-CB 3.52Å; M205-K231 HydrophobicContact CE-CD 4.26Å; M205-K231 HydrophobicContact SD-CB 3.74Å; G227-K231 WeakPolarHBondContact O-CG 3.34Å; G227-K231 PolarHBondContact O-N 2.86Å; T228-K231 PolarHBondContact O-N 3.14Å; K231-A233 VanDerWaalsContact C-N 3.32Å; K231-K235 WeakPolarHBondContact O-CB 3.13Å; K231-K235 PolarHBondContact O-N 3.48Å
232A96.5Very high96.9Very high0 Ų042 Ų420%024%0.235CC..Hα-helixtrans-61.8-42.2172.800000111.1I192 L218 T228 I229 C230 K235 L236I192-A232 HydrophobicContact CD1-CB 3.51Å; L218-A232 HydrophobicContact CD1-CB 3.96Å; L218-A232 HydrophobicContact CD2-CB 3.91Å; T228-A232 WeakPolarHBondContact O-CB 3.29Å; T228-A232 PolarHBondContact O-N 3.48Å; I229-A232 WeakPolarHBondContact O-CB 3.23Å; I229-A232 PolarHBondContact O-N 3Å; C230-A232 VanDerWaalsContact C-N 3.29Å; C230-A232 PolarHBondContact O-N 2.98Å; A232-K235 PolarHBondContact O-N 3.47Å; A232-L236 VanDerWaalsContact O-CG 3.26Å; A232-L236 WeakPolarHBondContact O-CG 3.4Å; A232-L236 PolarHBondContact O-N 2.91Å
233A98.1Very high96.9Very high0 Ų044.6 Ų44.60%025%0.246CC..Hα-helixtrans-63.3-47.1176.800000112.7L218 I229 C230 K231 K235 L236 I237 V244 P265 F266L218-A233 HydrophobicContact CD1-CB 4.16Å; I229-A233 PolarHBondContact O-N 3.02Å; C230-A233 WeakPolarHBondContact O-CB 3.44Å; C230-A233 PolarHBondContact O-N 2.66Å; C230-A233 VanDerWaalsContact O-N 3.12Å; K231-A233 VanDerWaalsContact C-N 3.32Å; A233-K235 VanDerWaalsContact C-N 3.27Å; A233-K235 PolarHBondContact O-N 3.05Å; A233-L236 PolarHBondContact O-N 3.15Å; A233-L236 VanDerWaalsContact O-N 3.15Å; A233-I237 WeakPolarHBondContact O-CG1 2.92Å; A233-I237 PolarHBondContact O-N 2.89Å; A233-V244 HydrophobicContact CB-CB 4.42Å; A233-V244 HydrophobicContact CB-CG1 3.84Å; A233-P265 HydrophobicContact CB-CG 4.12Å; A233-F266 HydrophobicContact CB-CD1 4.05Å; A233-F266 HydrophobicContact CB-CE1 3.41Å; A233-F266 VanDerWaalsContact CB-CE1 3.41Å; A233-F266 HydrophobicContact CB-CE2 4.36Å; A233-F266 HydrophobicContact CB-CZ 3.59Å
234E97.3Very high97Very high102 Ų10244.3 Ų44.348%0.47724%0.243SC..Hα-helixtrans-54.5-46.3172.7-69.1166.1-171.200110.9C230 L236 I237 D238 P265C230-E234 PolarHBondContact O-N 3.46Å; E234-L236 VanDerWaalsContact C-N 3.28Å; E234-L236 PolarHBondContact O-N 2.91Å; E234-I237 PolarHBondContact O-N 3.49Å; E234-D238 PolarHBondContact O-N 3.37Å; E234-P265 HydrophobicContact CG-CG 4.45Å
235K96.6Very high97.1Very high72 Ų7242.7 Ų42.731%0.31323%0.233SC..Hα-helixtrans-63.6-33-179.6-174.657-176.3162.80113.3M205 K231 A232 A233 A239M205-K235 HydrophobicContact CB-CG 4.39Å; K231-K235 WeakPolarHBondContact O-CB 3.13Å; K231-K235 PolarHBondContact O-N 3.48Å; A232-K235 PolarHBondContact O-N 3.47Å; A233-K235 VanDerWaalsContact C-N 3.27Å; A233-K235 PolarHBondContact O-N 3.05Å; K235-A239 WeakPolarHBondContact O-CB 3.49Å; K235-A239 PolarHBondContact O-N 3.05Å; K235-A239 VanDerWaalsContact O-N 3.14Å
236L98.1Very high97.2Very high0 Ų040 Ų400%022%0.217CC..Hα-helixtrans-71.4-41.5176.5-71.6168.3000111.6V168 I192 L207 V211 A216 L218 A232 A233 E234 A239 G240 A241 V244V168-L236 HydrophobicContact CB-CD1 4.34Å; V168-L236 HydrophobicContact CG1-CD1 4.23Å; V168-L236 HydrophobicContact CG1-CD2 4.08Å; V168-L236 HydrophobicContact CG2-CD1 4.21Å; V168-L236 HydrophobicContact CG2-CD2 3.97Å; I192-L236 HydrophobicContact CD1-CD2 4.47Å; I192-L236 HydrophobicContact CD1-CG 4.26Å; L207-L236 HydrophobicContact CD1-CD2 4.06Å; L207-L236 HydrophobicContact CD2-CD2 4.25Å; V211-L236 HydrophobicContact CB-CD2 4.2Å; V211-L236 HydrophobicContact CG1-CD2 3.78Å; V211-L236 HydrophobicContact CG2-CD2 3.95Å; A216-L236 HydrophobicContact CB-CB 4.39Å; A216-L236 HydrophobicContact CB-CD1 3.86Å; A216-L236 HydrophobicContact CB-CD2 4.16Å; A216-L236 HydrophobicContact CB-CG 4.37Å; L218-L236 HydrophobicContact CD1-CD1 3.79Å; L218-L236 HydrophobicContact CD2-CD1 3.96Å; L218-L236 HydrophobicContact CG-CD1 3.67Å; A232-L236 VanDerWaalsContact O-CG 3.26Å; A232-L236 WeakPolarHBondContact O-CG 3.4Å; A232-L236 PolarHBondContact O-N 2.91Å; A233-L236 PolarHBondContact O-N 3.15Å; A233-L236 VanDerWaalsContact O-N 3.15Å; E234-L236 VanDerWaalsContact C-N 3.28Å; E234-L236 PolarHBondContact O-N 2.91Å; L236-A239 CarbonylContact O-C 3.58Å; L236-A239 PolarHBondContact O-N 2.87Å; L236-G240 PolarHBondContact O-N 3.48Å; L236-A241 HydrophobicContact CB-CB 4.14Å; L236-A241 VanDerWaalsContact O-CB 3.24Å; L236-A241 WeakPolarHBondContact O-CB 3.34Å; L236-A241 PolarHBondContact O-N 3.07Å; L236-V244 HydrophobicContact CB-CG2 3.86Å; L236-V244 HydrophobicContact CD1-CG1 4Å; L236-V244 HydrophobicContact CD1-CG2 4.39Å
237I98.3Very high97.3Very high66 Ų6639.8 Ų39.834%0.33822%0.215SC..Hα-helixtrans-61.3-46.8172.9-64.9-62.1000110.5A233 E234 A239 G240 V244 P265A233-I237 WeakPolarHBondContact O-CG1 2.92Å; A233-I237 PolarHBondContact O-N 2.89Å; E234-I237 PolarHBondContact O-N 3.49Å; I237-A239 PolarHBondContact O-N 3.07Å; I237-G240 PolarHBondContact O-N 2.83Å; I237-V244 HydrophobicContact CD1-CG2 3.72Å; I237-V244 HydrophobicContact CG1-CG2 3.95Å; I237-P265 HydrophobicContact CD1-CB 4.49Å; I237-P265 HydrophobicContact CG1-CB 3.89Å; I237-P265 HydrophobicContact CG1-CG 3.8Å
238D97.1Very high97.5Very high130 Ų13039 Ų3970%0.69521%0.207SC*.Hα-helixtrans-59.3-28.5175.9-73.1-13.8000113E234 G240E234-D238 PolarHBondContact O-N 3.37Å; D238-G240 VanDerWaalsContact C-N 3.31Å
239A97.4Very high97.7Very high36 Ų3636.5 Ų36.530%0.29819%0.191SC..THydrogen-bonded Turntrans-85.4-0.8177.200000113.4L207 V211 K235 L236 I237L207-A239 HydrophobicContact CD2-CB 3.66Å; V211-A239 HydrophobicContact CG2-CB 3.64Å; K235-A239 WeakPolarHBondContact O-CB 3.49Å; K235-A239 PolarHBondContact O-N 3.05Å; K235-A239 VanDerWaalsContact O-N 3.14Å; L236-A239 CarbonylContact O-C 3.58Å; L236-A239 PolarHBondContact O-N 2.87Å; I237-A239 PolarHBondContact O-N 3.07Å
240G97.9Very high97.8Very high29 Ų2936.2 Ų36.230%0.29919%0.19SC..THydrogen-bonded Turntrans9618.3175.300000115.4D213 L236 I237 D238D213-G240 PolarHBondContact N-O 3.06Å; L236-G240 PolarHBondContact O-N 3.48Å; I237-G240 PolarHBondContact O-N 2.83Å; D238-G240 VanDerWaalsContact C-N 3.31Å
241A98.4Very high97.9Very high9 Ų935.9 Ų35.97%0.07419%0.187CC..  trans-64.9137.617100000111V211 R214 A216 L236 V244V211-A241 HydrophobicContact CG2-CB 4.39Å; V211-A241 WeakPolarHBondContact O-CA 3.36Å; R214-A241 CarbonylContact O-C 3.51Å; R214-A241 WeakPolarHBondContact O-CA 3.24Å; A216-A241 HydrophobicContact CB-CB 3.91Å; L236-A241 HydrophobicContact CB-CB 4.14Å; L236-A241 VanDerWaalsContact O-CB 3.24Å; L236-A241 WeakPolarHBondContact O-CB 3.34Å; L236-A241 PolarHBondContact O-N 3.07Å; A241-V244 HydrophobicContact CB-CG2 4.32Å
242I97.6Very high98Very high105 Ų10533 Ų3354%0.53818%0.177SC..SBendtrans-72.1-44.6-178.3-61.7170.4000110.8D213 R214D213-I242 WeakPolarHBondContact O-CD1 3.28Å; R214-I242 PolarHBondContact O-N 2.86Å
243K98.3Very high98.1Very high66 Ų6633.5 Ų33.529%0.28718%0.179SC..EExtended strand (participates in β ladder)trans-144151.6177.8-71.2-178.7179.7-164.70108.9V215 A216 Y245 E267V215-K243 HydrophobicContact CG1-CB 4.47Å; V215-K243 HydrophobicContact CG2-CB 4.41Å; A216-K243 PolarHBondContact N-O 2.79Å; K243-Y245 HydrophobicContact CB-CE2 4.24Å; K243-Y245 HydrophobicContact CD-CE2 4.49Å; K243-E267 HydrophobicContact CD-CG 4.23Å; K243-E267 IonicContact NZ-OE1 2.69Å; K243-E267 PolarHBondContact NZ-OE1 2.78Å
244V98.6Very high97.9Very high0 Ų035.8 Ų35.80%020%0.195CC..EExtended strand (participates in β ladder)trans-120.6125.3174.1-174.70000109.9A216 L218 A233 L236 I237 A241 F266 E267A216-V244 HydrophobicContact CB-CG2 4.47Å; A216-V244 CarbonylContact O-C 3.38Å; A216-V244 VanDerWaalsContact O-CA 3.32Å; A216-V244 WeakPolarHBondContact O-CA 3.34Å; L218-V244 HydrophobicContact CD1-CG1 3.84Å; L218-V244 HydrophobicContact CG-CG1 4.43Å; A233-V244 HydrophobicContact CB-CB 4.42Å; A233-V244 HydrophobicContact CB-CG1 3.84Å; L236-V244 HydrophobicContact CB-CG2 3.86Å; L236-V244 HydrophobicContact CD1-CG1 4Å; L236-V244 HydrophobicContact CD1-CG2 4.39Å; I237-V244 HydrophobicContact CD1-CG2 3.72Å; I237-V244 HydrophobicContact CG1-CG2 3.95Å; A241-V244 HydrophobicContact CB-CG2 4.32Å; V244-F266 HydrophobicContact CG1-CD1 4.04Å; V244-F266 HydrophobicContact CG1-CE1 4.05Å; V244-F266 CarbonylContact O-C 3.44Å; V244-F266 WeakPolarHBondContact O-CA 3.43Å; V244-E267 PolarHBondContact O-N 2.94Å
245Y98.9Very high97.9Very high13 Ų1334.5 Ų34.55%0.05121%0.209CC..EExtended strand (participates in β ladder)trans-105.9152.9167.5-67.6-97.3000109.2W154 I159 V215 A216 L218 K243 E267 A268W154-Y245 HydrophobicContact CH2-CD1 4.01Å; W154-Y245 HydrophobicContact CH2-CE1 4.18Å; W154-Y245 HydrophobicContact CZ3-CD1 4.44Å; I159-Y245 HydrophobicContact CD1-CD1 4.02Å; I159-Y245 HydrophobicContact CD1-CD2 3.74Å; I159-Y245 HydrophobicContact CD1-CE1 4.2Å; I159-Y245 HydrophobicContact CD1-CE2 3.93Å; I159-Y245 HydrophobicContact CD1-CG 3.78Å; I159-Y245 HydrophobicContact CG1-CD1 4.34Å; I159-Y245 HydrophobicContact CG1-CD2 4.35Å; I159-Y245 HydrophobicContact CG1-CE1 4.02Å; I159-Y245 HydrophobicContact CG1-CE2 4.04Å; I159-Y245 HydrophobicContact CG1-CG 4.48Å; I159-Y245 HydrophobicContact CG2-CE2 4.22Å; V215-Y245 HydrophobicContact CG1-CD2 3.62Å; V215-Y245 HydrophobicContact CG1-CE2 3.66Å; A216-Y245 PolarHBondContact O-N 3.21Å; L218-Y245 WeakPolarHBondContact CB-O 3.49Å; L218-Y245 PolarHBondContact N-O 2.71Å; K243-Y245 HydrophobicContact CB-CE2 4.24Å; K243-Y245 HydrophobicContact CD-CE2 4.49Å; Y245-E267 HydrophobicContact CD1-CB 4.25Å; Y245-E267 HydrophobicContact CE1-CB 3.91Å; Y245-E267 HydrophobicContact CE1-CG 3.7Å; Y245-E267 HydrophobicContact CE2-CB 4.17Å; Y245-E267 HydrophobicContact CE2-CG 4.24Å; Y245-A268 HydrophobicContact CD1-CB 3.93Å; Y245-A268 HydrophobicContact CE1-CB 4.1Å
246A98.8Very high97.9Very high0 Ų033.8 Ų33.80%021%0.212CC..EExtended strand (participates in β ladder)trans-120.9132.4165.300000109.4L218 I229 F266 A268 V269 V270L218-A246 HydrophobicContact CB-CB 4.44Å; L218-A246 CarbonylContact O-C 3.5Å; L218-A246 WeakPolarHBondContact O-CA 3.27Å; I229-A246 HydrophobicContact CD1-CB 3.66Å; I229-A246 HydrophobicContact CG1-CB 4.3Å; A246-F266 HydrophobicContact CB-CD1 3.97Å; A246-F266 HydrophobicContact CB-CE1 3.66Å; A246-F266 HydrophobicContact CB-CZ 4.23Å; A246-A268 PolarHBondContact N-O 2.87Å; A246-V269 HydrophobicContact CB-CG1 4.24Å; A246-V269 HydrophobicContact CB-CG2 4.23Å; A246-V269 CarbonylContact O-C 3.49Å; A246-V269 WeakPolarHBondContact O-CA 3.49Å; A246-V270 PolarHBondContact O-N 2.63Å
247I98.8Very high97.9Very high2 Ų233.8 Ų33.81%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-124.9126.4174.5-52-178.4000108.2V151 W154 I155 I217 L218 V219 D220 V270V151-I247 HydrophobicContact CB-CG2 4.39Å; V151-I247 HydrophobicContact CG1-CD1 4.04Å; V151-I247 HydrophobicContact CG1-CG2 3.83Å; V151-I247 HydrophobicContact CG2-CG2 3.73Å; W154-I247 HydrophobicContact CE3-CD1 3.91Å; W154-I247 HydrophobicContact CZ3-CD1 4.03Å; I155-I247 HydrophobicContact CD1-CD1 3.77Å; I155-I247 HydrophobicContact CG1-CD1 3.49Å; I155-I247 VanDerWaalsContact CG1-CD1 3.49Å; I217-I247 HydrophobicContact CG2-CD1 3.64Å; I217-I247 HydrophobicContact CG2-CG1 3.92Å; L218-I247 PolarHBondContact O-N 3.09Å; V219-I247 WeakPolarHBondContact CA-O 3.48Å; V219-I247 HydrophobicContact CG2-CB 4.41Å; D220-I247 PolarHBondContact N-O 3.23Å; D220-I247 VanDerWaalsContact N-O 3.08Å; I247-V270 WeakPolarHBondContact CA-O 3.48Å; I247-V270 HydrophobicContact CB-CB 4.46Å; I247-V270 HydrophobicContact CG1-CB 4.13Å; I247-V270 HydrophobicContact CG1-CG2 4.26Å; I247-V270 HydrophobicContact CG2-CB 4.26Å
248L98.7Very high98Very high2 Ų232 Ų321%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-132.9133.2-172.8-61.1167.9000108.4D220 A223 I229 F253 V269 V270 V271 T272D220-L248 HydrophobicContact CB-CD2 3.54Å; D220-L248 WeakPolarHBondContact O-CA 3.45Å; A223-L248 HydrophobicContact CB-CD1 3.33Å; A223-L248 HydrophobicContact CB-CD2 3.82Å; A223-L248 HydrophobicContact CB-CG 4.19Å; I229-L248 HydrophobicContact CD1-CD1 4.46Å; I229-L248 HydrophobicContact CD1-CD2 3.72Å; I229-L248 HydrophobicContact CD1-CG 4.3Å; L248-F253 HydrophobicContact CD1-CE1 3.58Å; L248-F253 HydrophobicContact CD1-CZ 3.75Å; L248-V269 HydrophobicContact CD1-CG1 4.2Å; L248-V270 PolarHBondContact N-O 2.93Å; L248-V271 HydrophobicContact CB-CG1 3.86Å; L248-V271 HydrophobicContact CD1-CG1 4.16Å; L248-V271 VanDerWaalsContact O-CA 3.24Å; L248-V271 WeakPolarHBondContact O-CA 3.32Å; L248-T272 PolarHBondContact O-N 3.13Å
249T98.4Very high98Very high10 Ų1028.5 Ų28.56%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-66.2-56.1170.6-570000109.3M127 D128 A147 D220 D221 T272 T274M127-T249 HydrophobicContact CG-CG2 4.13Å; M127-T249 HydrophobicContact SD-CG2 4.28Å; D128-T249 HydrophobicContact CB-CG2 3.92Å; D128-T249 WeakPolarHBondContact OD2-CB 3.34Å; D128-T249 WeakPolarHBondContact OD2-CG2 3.45Å; D128-T249 PolarHBondContact OD2-OG1 2.85Å; A147-T249 HydrophobicContact CB-CG2 3.87Å; D220-T249 PolarHBondContact O-N 2.95Å; D221-T249 CarbonylContact O-C 3.54Å; D221-T249 WeakPolarHBondContact O-CA 3.31Å; D221-T249 WeakPolarHBondContact O-CB 3.34Å; D221-T249 PolarHBondContact O-N 3.21Å; T249-T272 HydrophobicContact CG2-CG2 3.95Å; T249-T272 WeakPolarHBondContact O-CB 3.25Å; T249-T272 PolarHBondContact O-N 3.18Å; T249-T272 VanDerWaalsContact O-N 3.14Å; T249-T272 PolarHBondContact O-OG1 2.91Å; T249-T274 HydrophobicContact CG2-CG2 4.4Å; T249-T274 PolarHBondContact O-OG1 2.82Å
250H98.4Very high98.1Very high2 Ų231.4 Ų31.41%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-107107.7-175.6-41.3-70.7000112.9P90 M127 D128 D221 M222 A223 I252 T274 I275P90-H250 PolarHBondContact O-CE1 2.97Å; M127-H250 PolarHBondContact O-CE1 3.38Å; M127-H250 PolarHBondContact O-NE2 2.94Å; M127-H250 VanDerWaalsContact O-NE2 3.15Å; D128-H250 PolarHBondContact O-NE2 3.41Å; D221-H250 PolarHBondContact O-CD2 2.66Å; D221-H250 VanDerWaalsContact O-CD2 3.25Å; D221-H250 PolarHBondContact O-N 3.21Å; M222-H250 VanDerWaalsContact CA-O 3.23Å; M222-H250 WeakPolarHBondContact CA-O 3.24Å; M222-H250 HydrophobicContact CB-CB 3.82Å; M222-H250 WeakPolarHBondContact CB-O 3.5Å; A223-H250 PolarHBondContact N-O 3.2Å; H250-I252 PolarHBondContact O-N 2.88Å; H250-I252 VanDerWaalsContact O-N 3.15Å; H250-T274 PolarHBondContact ND1-OG1 3.45Å; H250-I275 HydrophobicContact CB-CD1 4.2Å
251G98Very high98.1Very high0 Ų030 Ų300%018%0.181CC..EExtended strand (participates in β ladder)trans-81.976.1174.500000113.6Q277 K280G251-Q277 PolarHBondContact O-NE2 2.8Å; G251-K280 PolarHBondContact O-NZ 3.08Å
252I97.9Very high98.1Very high50 Ų5032.2 Ų32.226%0.25619%0.191SC..  trans-65.6-45.7179.4-59.8169.2000110.5M222 A223 D224 H250 S254 I275 K280M222-I252 HydrophobicContact CB-CD1 4.34Å; M222-I252 HydrophobicContact SD-CD1 3.95Å; A223-I252 WeakPolarHBondContact O-CB 3.49Å; A223-I252 PolarHBondContact O-N 2.84Å; D224-I252 HydrophobicContact CB-CB 4.38Å; D224-I252 HydrophobicContact CB-CD1 4.44Å; D224-I252 HydrophobicContact CB-CG2 4.38Å; D224-I252 WeakPolarHBondContact OD1-CG2 3.4Å; H250-I252 PolarHBondContact O-N 2.88Å; H250-I252 VanDerWaalsContact O-N 3.15Å; I252-S254 PolarHBondContact O-N 2.9Å; I252-I275 HydrophobicContact CB-CD1 4.41Å; I252-I275 HydrophobicContact CG1-CD1 3.69Å; I252-K280 PolarHBondContact O-NZ 3.45Å
253F97.6Very high98.1Very high9 Ų934 Ų344%0.03920%0.202CC..  trans45.853.5171.2-56-30.6000115A223 D224 C226 L248 A257 I258 I261 V269 V271 K280 I287A223-F253 HydrophobicContact CB-CD1 4.45Å; A223-F253 HydrophobicContact CB-CE1 4.05Å; A223-F253 PolarHBondContact O-N 2.77Å; A223-F253 VanDerWaalsContact O-N 3.1Å; D224-F253 CarbonylContact O-C 3.58Å; D224-F253 WeakPolarHBondContact O-CA 3.42Å; D224-F253 PolarHBondContact O-N 2.81Å; C226-F253 WeakPolarHBondContact SG-CD1 3.19Å; L248-F253 HydrophobicContact CD1-CE1 3.58Å; L248-F253 HydrophobicContact CD1-CZ 3.75Å; F253-A257 VanDerWaalsContact C-CB 3.47Å; F253-A257 VanDerWaalsContact CA-CB 3.48Å; F253-A257 HydrophobicContact CB-CB 3.88Å; F253-A257 HydrophobicContact CD1-CB 4.43Å; F253-I258 HydrophobicContact CB-CD1 4.24Å; F253-I258 HydrophobicContact CD2-CD1 4.5Å; F253-I261 HydrophobicContact CD1-CD1 3.96Å; F253-I261 HydrophobicContact CE1-CD1 3.77Å; F253-I261 HydrophobicContact CE2-CD1 4.46Å; F253-I261 HydrophobicContact CG-CD1 4.37Å; F253-I261 HydrophobicContact CZ-CD1 4.03Å; F253-V269 HydrophobicContact CE1-CG1 4.47Å; F253-V269 HydrophobicContact CZ-CG1 3.81Å; F253-V271 HydrophobicContact CE1-CG1 4.44Å; F253-V271 HydrophobicContact CE2-CG1 3.56Å; F253-V271 HydrophobicContact CE2-CG2 4.24Å; F253-V271 HydrophobicContact CZ-CG1 3.37Å; F253-K280 HydrophobicContact CB-CD 3.86Å; F253-K280 HydrophobicContact CD2-CD 3.93Å; F253-K280 HydrophobicContact CG-CD 4.42Å; F253-I287 HydrophobicContact CD2-CD1 4.09Å; F253-I287 HydrophobicContact CE2-CD1 3.88Å; F253-I287 HydrophobicContact CE2-CG1 4.43Å
254S95.8Very high98.1Very high49 Ų4931 Ų3134%0.34319%0.19SC..  trans-88.3160178.482.20000113.1D224 I252 A257D224-S254 PolarHBondContact O-N 3.18Å; D224-S254 VanDerWaalsContact OD1-CB 3.25Å; D224-S254 WeakPolarHBondContact OD1-CB 3.48Å; D224-S254 PolarHBondContact OD1-OG 2.78Å; I252-S254 PolarHBondContact O-N 2.9Å; S254-A257 WeakPolarHBondContact O-CB 3.39Å; S254-A257 PolarHBondContact O-N 3.34Å
255G96.4Very high98.1Very high74 Ų7433.5 Ų33.576%0.76321%0.206SC*.THydrogen-bonded Turntrans56.5-123.1174.800000112.7A257G255-A257 PolarHBondContact O-N 3.46Å
256P97.6Very high98.1Very high57 Ų5733.4 Ų33.437%0.3721%0.205SC..THydrogen-bonded Turntrans-797.8-174.435.5-38.5000114.2I258 A259 R260P256-I258 PolarHBondContact O-N 2.71Å; P256-A259 PolarHBondContact O-N 2.91Å; P256-R260 HydrophobicContact CB-CG 4.47Å; P256-R260 VanDerWaalsContact CG-CZ 3.42Å; P256-R260 WeakPolarHBondContact O-CG 3.49Å; P256-R260 PolarHBondContact O-N 3.05Å
257A98.1Very high98.1Very high0 Ų038 Ų380%023%0.227CC..Hα-helixtrans-55.1-49.6-170.900000113.6D224 C226 F253 S254 G255 R260 I261D224-A257 WeakPolarHBondContact O-CB 3.47Å; C226-A257 HydrophobicContact CB-CB 4.26Å; F253-A257 VanDerWaalsContact C-CB 3.47Å; F253-A257 VanDerWaalsContact CA-CB 3.48Å; F253-A257 HydrophobicContact CB-CB 3.88Å; F253-A257 HydrophobicContact CD1-CB 4.43Å; S254-A257 WeakPolarHBondContact O-CB 3.39Å; S254-A257 PolarHBondContact O-N 3.34Å; G255-A257 PolarHBondContact O-N 3.46Å; A257-R260 PolarHBondContact O-N 2.75Å; A257-I261 VanDerWaalsContact O-CG1 3.31Å; A257-I261 WeakPolarHBondContact O-CG1 3.45Å; A257-I261 PolarHBondContact O-N 2.73Å
258I98.4Very high98Very high30 Ų3038 Ų3815%0.15423%0.228CC..Hα-helixtrans-63.8-45.4-176.2-62.3-57.1000111.9F253 P256 R260 I261 N262 K280 C284 I287F253-I258 HydrophobicContact CB-CD1 4.24Å; F253-I258 HydrophobicContact CD2-CD1 4.5Å; P256-I258 PolarHBondContact O-N 2.71Å; I258-R260 VanDerWaalsContact C-N 3.34Å; I258-R260 PolarHBondContact O-N 3.1Å; I258-I261 PolarHBondContact O-N 3.15Å; I258-N262 PolarHBondContact O-N 2.96Å; I258-N262 PolarHBondContact O-ND2 3.14Å; I258-K280 HydrophobicContact CD1-CB 3.81Å; I258-K280 HydrophobicContact CD1-CD 4.35Å; I258-K280 HydrophobicContact CD1-CG 4.03Å; I258-K280 HydrophobicContact CG1-CG 4.47Å; I258-C284 HydrophobicContact CD1-CB 4.36Å; I258-C284 HydrophobicContact CG2-CB 3.94Å; I258-I287 HydrophobicContact CD1-CD1 3.78Å
259A98.3Very high98Very high56 Ų5638 Ų3846%0.46323%0.228SC..Hα-helixtrans-59.4-46.6175.400000111.1P256 I261 N262 D263P256-A259 PolarHBondContact O-N 2.91Å; A259-I261 VanDerWaalsContact C-N 3.35Å; A259-I261 PolarHBondContact O-N 3.03Å; A259-N262 PolarHBondContact O-N 2.86Å; A259-D263 PolarHBondContact O-N 2.94Å
260R98.4Very high98.1Very high96 Ų9637.6 Ų37.636%0.36223%0.225SC..Hα-helixtrans-60.7-40.3177.7-72.7173.3175169.70.4113T225 P256 A257 I258 D263 A264T225-R260 VanDerWaalsContact O-CD 3.31Å; T225-R260 WeakPolarHBondContact O-CD 3.23Å; T225-R260 PolarHBondContact O-NH1 3.4Å; T225-R260 PolarHBondContact OG1-NH1 3.3Å; P256-R260 HydrophobicContact CB-CG 4.47Å; P256-R260 VanDerWaalsContact CG-CZ 3.42Å; P256-R260 WeakPolarHBondContact O-CG 3.49Å; P256-R260 PolarHBondContact O-N 3.05Å; A257-R260 PolarHBondContact O-N 2.75Å; I258-R260 VanDerWaalsContact C-N 3.34Å; I258-R260 PolarHBondContact O-N 3.1Å; R260-D263 PolarHBondContact O-N 2.56Å; R260-A264 WeakPolarHBondContact O-CB 3.38Å; R260-A264 PolarHBondContact O-N 3.43Å
261I98.6Very high98.1Very high1 Ų137.5 Ų37.51%0.00523%0.225CC..Hα-helixtrans-65.3-42.4177.4-69.2164000110.8C226 F253 A257 I258 A259 D263 A264 F266 V269 C284 K286C226-I261 HydrophobicContact CB-CG1 4.29Å; F253-I261 HydrophobicContact CD1-CD1 3.96Å; F253-I261 HydrophobicContact CE1-CD1 3.77Å; F253-I261 HydrophobicContact CE2-CD1 4.46Å; F253-I261 HydrophobicContact CG-CD1 4.37Å; F253-I261 HydrophobicContact CZ-CD1 4.03Å; A257-I261 VanDerWaalsContact O-CG1 3.31Å; A257-I261 WeakPolarHBondContact O-CG1 3.45Å; A257-I261 PolarHBondContact O-N 2.73Å; I258-I261 PolarHBondContact O-N 3.15Å; A259-I261 VanDerWaalsContact C-N 3.35Å; A259-I261 PolarHBondContact O-N 3.03Å; I261-D263 VanDerWaalsContact C-N 3.32Å; I261-D263 PolarHBondContact O-N 3.36Å; I261-A264 PolarHBondContact O-N 2.79Å; I261-F266 HydrophobicContact CG2-CD2 4.44Å; I261-V269 HydrophobicContact CD1-CG1 4.49Å; I261-V269 HydrophobicContact CG1-CG2 4.5Å; I261-V269 HydrophobicContact CG2-CB 4.25Å; I261-V269 HydrophobicContact CG2-CG2 3.52Å; I261-C284 WeakPolarHBondContact CG2-SG 3.32Å; I261-K286 HydrophobicContact CG2-CB 4.38Å; I261-K286 HydrophobicContact CG2-CD 4.45Å; I261-K286 PolarHBondContact O-NZ 3.1Å; I261-K286 VanDerWaalsContact O-NZ 3.13Å
262N98.4Very high98.1Very high55 Ų5537.5 Ų37.529%0.29423%0.225SC..Hα-helixtrans-61.5-41.5177.4-76.5-26.7000111.6I258 A259 S283 C284 K286I258-N262 PolarHBondContact O-N 2.96Å; I258-N262 PolarHBondContact O-ND2 3.14Å; A259-N262 PolarHBondContact O-N 2.86Å; N262-S283 PolarHBondContact ND2-O 2.86Å; N262-C284 PolarHBondContact OD1-SG 3.21Å; N262-K286 PolarHBondContact O-NZ 3.03Å
263D98.3Very high98.1Very high142 Ų14235.2 Ų35.276%0.75921%0.213SC*.Hα-helixtrans-78.6-28.2-178.9-63.3-21.4000113.3A259 R260 I261A259-D263 PolarHBondContact O-N 2.94Å; R260-D263 PolarHBondContact O-N 2.56Å; I261-D263 VanDerWaalsContact C-N 3.32Å; I261-D263 PolarHBondContact O-N 3.36Å
264A98.1Very high98.1Very high4 Ų434.8 Ų34.83%0.03321%0.211CC..SBendtrans-72.5154.3-176.800000113C230 R260 I261 F266 K286C230-A264 HydrophobicContact CB-CB 3.93Å; R260-A264 WeakPolarHBondContact O-CB 3.38Å; R260-A264 PolarHBondContact O-N 3.43Å; I261-A264 PolarHBondContact O-N 2.79Å; A264-F266 HydrophobicContact CB-CD2 3.54Å; A264-F266 HydrophobicContact CB-CE2 3.5Å; A264-F266 VanDerWaalsContact CB-CE2 3.5Å; A264-F266 HydrophobicContact CB-CZ 4.48Å; A264-F266 PolarHBondContact O-N 2.85Å; A264-K286 PolarHBondContact O-NZ 3.13Å
265P97.9Very high98.2Very high52 Ų5232.8 Ų32.834%0.33820%0.197SC..  trans-79.246-17635.2-38.2000113.1A233 E234 I237A233-P265 HydrophobicContact CB-CG 4.12Å; E234-P265 HydrophobicContact CG-CG 4.45Å; I237-P265 HydrophobicContact CD1-CB 4.49Å; I237-P265 HydrophobicContact CG1-CB 3.89Å; I237-P265 HydrophobicContact CG1-CG 3.8Å
266F98.6Very high98.3Very high10 Ų1031.2 Ų31.24%0.04417%0.173CC..EExtended strand (participates in β ladder)trans-84.3133.5172.2-63.7-63000111.3L218 I229 A233 V244 A246 I261 A264 V269 K286L218-F266 HydrophobicContact CD1-CE1 4.05Å; I229-F266 HydrophobicContact CG1-CE1 4.5Å; I229-F266 HydrophobicContact CG1-CZ 4.12Å; I229-F266 HydrophobicContact CG2-CZ 4.2Å; I229-F266 WeakPolarHBondContact O-CZ 3.27Å; A233-F266 HydrophobicContact CB-CD1 4.05Å; A233-F266 HydrophobicContact CB-CE1 3.41Å; A233-F266 VanDerWaalsContact CB-CE1 3.41Å; A233-F266 HydrophobicContact CB-CE2 4.36Å; A233-F266 HydrophobicContact CB-CZ 3.59Å; V244-F266 HydrophobicContact CG1-CD1 4.04Å; V244-F266 HydrophobicContact CG1-CE1 4.05Å; V244-F266 CarbonylContact O-C 3.44Å; V244-F266 WeakPolarHBondContact O-CA 3.43Å; A246-F266 HydrophobicContact CB-CD1 3.97Å; A246-F266 HydrophobicContact CB-CE1 3.66Å; A246-F266 HydrophobicContact CB-CZ 4.23Å; I261-F266 HydrophobicContact CG2-CD2 4.44Å; A264-F266 HydrophobicContact CB-CD2 3.54Å; A264-F266 HydrophobicContact CB-CE2 3.5Å; A264-F266 VanDerWaalsContact CB-CE2 3.5Å; A264-F266 HydrophobicContact CB-CZ 4.48Å; A264-F266 PolarHBondContact O-N 2.85Å; F266-V269 HydrophobicContact CB-CG2 3.9Å; F266-V269 HydrophobicContact CD1-CG2 4.36Å; F266-V269 HydrophobicContact CD2-CG2 3.74Å; F266-V269 HydrophobicContact CE2-CG2 4.36Å; F266-V269 HydrophobicContact CG-CG2 3.75Å; F266-K286 HydrophobicContact CB-CD 4.34Å; F266-K286 WeakPolarHBondContact O-CD 3.42Å; F266-K286 WeakPolarHBondContact O-CE 3.26Å
267E98.4Very high98.2Very high96 Ų9628.6 Ų28.645%0.44916%0.156SC..EExtended strand (participates in β ladder)trans-70.5-46.9164.4-175.978.3160.400109.9K243 V244 Y245K243-E267 HydrophobicContact CD-CG 4.23Å; K243-E267 IonicContact NZ-OE1 2.69Å; K243-E267 PolarHBondContact NZ-OE1 2.78Å; V244-E267 PolarHBondContact O-N 2.94Å; Y245-E267 HydrophobicContact CD1-CB 4.25Å; Y245-E267 HydrophobicContact CE1-CB 3.91Å; Y245-E267 HydrophobicContact CE1-CG 3.7Å; Y245-E267 HydrophobicContact CE2-CB 4.17Å; Y245-E267 HydrophobicContact CE2-CG 4.24Å
268A98.6Very high98Very high3 Ų332 Ų323%0.02517%0.172CC..EExtended strand (participates in β ladder)trans-151.6153.9171.500000111.4Y245 A246 K286Y245-A268 HydrophobicContact CD1-CB 3.93Å; Y245-A268 HydrophobicContact CE1-CB 4.1Å; A246-A268 PolarHBondContact N-O 2.87Å; A268-K286 WeakPolarHBondContact CA-O 3.39Å
269V98.8Very high97.8Very high2 Ų236.7 Ų36.71%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-118.5109171.1-178.40000108.5A246 L248 F253 I261 F266 K286 I287 Q288A246-V269 HydrophobicContact CB-CG1 4.24Å; A246-V269 HydrophobicContact CB-CG2 4.23Å; A246-V269 CarbonylContact O-C 3.49Å; A246-V269 WeakPolarHBondContact O-CA 3.49Å; L248-V269 HydrophobicContact CD1-CG1 4.2Å; F253-V269 HydrophobicContact CE1-CG1 4.47Å; F253-V269 HydrophobicContact CZ-CG1 3.81Å; I261-V269 HydrophobicContact CD1-CG1 4.49Å; I261-V269 HydrophobicContact CG1-CG2 4.5Å; I261-V269 HydrophobicContact CG2-CB 4.25Å; I261-V269 HydrophobicContact CG2-CG2 3.52Å; F266-V269 HydrophobicContact CB-CG2 3.9Å; F266-V269 HydrophobicContact CD1-CG2 4.36Å; F266-V269 HydrophobicContact CD2-CG2 3.74Å; F266-V269 HydrophobicContact CE2-CG2 4.36Å; F266-V269 HydrophobicContact CG-CG2 3.75Å; V269-K286 PolarHBondContact N-O 3.15Å; V269-I287 CarbonylContact O-C 3.57Å; V269-I287 VanDerWaalsContact O-CA 3.25Å; V269-I287 WeakPolarHBondContact O-CA 3.45Å; V269-Q288 PolarHBondContact O-N 2.93Å
270V98.8Very high97.7Very high1 Ų135.9 Ų35.91%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-98.4131.3-175.7-170.20000109.3W154 A246 I247 L248 Q288 I290W154-V270 HydrophobicContact CD2-CG1 4.09Å; W154-V270 HydrophobicContact CD2-CG2 3.98Å; W154-V270 HydrophobicContact CE3-CG2 3.96Å; W154-V270 HydrophobicContact CG-CG1 4.35Å; W154-V270 HydrophobicContact CH2-CG2 3.32Å; W154-V270 HydrophobicContact CZ2-CG2 3.29Å; W154-V270 HydrophobicContact CZ3-CG2 3.64Å; A246-V270 PolarHBondContact O-N 2.63Å; I247-V270 WeakPolarHBondContact CA-O 3.48Å; I247-V270 HydrophobicContact CB-CB 4.46Å; I247-V270 HydrophobicContact CG1-CB 4.13Å; I247-V270 HydrophobicContact CG1-CG2 4.26Å; I247-V270 HydrophobicContact CG2-CB 4.26Å; L248-V270 PolarHBondContact N-O 2.93Å; V270-Q288 WeakPolarHBondContact CA-O 3.39Å; V270-Q288 HydrophobicContact CG2-CB 4.46Å; V270-I290 HydrophobicContact CG1-CD1 3.61Å; V270-I290 HydrophobicContact CG1-CG1 3.68Å
271V98.7Very high97.7Very high0 Ų034.9 Ų34.90%018%0.179CC..EExtended strand (participates in β ladder)trans-131.1159175.7-75.10000111.2L248 F253 Q277 I287 Q288 I289 I290L248-V271 HydrophobicContact CB-CG1 3.86Å; L248-V271 HydrophobicContact CD1-CG1 4.16Å; L248-V271 VanDerWaalsContact O-CA 3.24Å; L248-V271 WeakPolarHBondContact O-CA 3.32Å; F253-V271 HydrophobicContact CE1-CG1 4.44Å; F253-V271 HydrophobicContact CE2-CG1 3.56Å; F253-V271 HydrophobicContact CE2-CG2 4.24Å; F253-V271 HydrophobicContact CZ-CG1 3.37Å; V271-Q277 HydrophobicContact CG2-CG 3.8Å; V271-I287 HydrophobicContact CG2-CG2 3.92Å; V271-Q288 PolarHBondContact N-O 3.15Å; V271-I289 CarbonylContact O-C 3.57Å; V271-I289 VanDerWaalsContact O-CA 3.27Å; V271-I289 WeakPolarHBondContact O-CA 3.44Å; V271-I290 PolarHBondContact O-N 3.45Å
272T98.7Very high97.6Very high1 Ų142 Ų421%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-82.9163.1163.172.30000111.1A147 L248 T249 T274 I290 I292A147-T272 HydrophobicContact CB-CG2 3.96Å; L248-T272 PolarHBondContact O-N 3.13Å; T249-T272 HydrophobicContact CG2-CG2 3.95Å; T249-T272 WeakPolarHBondContact O-CB 3.25Å; T249-T272 PolarHBondContact O-N 3.18Å; T249-T272 VanDerWaalsContact O-N 3.14Å; T249-T272 PolarHBondContact O-OG1 2.91Å; T272-T274 PolarHBondContact O-N 2.66Å; T272-T274 WeakPolarHBondContact OG1-CB 3.48Å; T272-T274 WeakPolarHBondContact OG1-CG2 3.44Å; T272-T274 PolarHBondContact OG1-N 2.96Å; T272-T274 PolarHBondContact OG1-OG1 3.5Å; T272-I290 VanDerWaalsContact CA-O 3.31Å; T272-I290 WeakPolarHBondContact CA-O 3.49Å; T272-I290 HydrophobicContact CG2-CB 4.45Å; T272-I292 HydrophobicContact CG2-CG2 3.73Å
273N97.9Very high97.5Very high2 Ų243 Ų431%0.01122%0.222CC..THydrogen-bonded Turntrans-8230.3166.163.6-19.3000113.3H12 I275 I289 I290 D291 I292H12-N273 PolarHBondContact CD2-O 3.27Å; H12-N273 PolarHBondContact NE2-O 3.42Å; N273-I275 PolarHBondContact O-N 3.17Å; N273-I289 HydrophobicContact CB-CG2 3.85Å; N273-I290 PolarHBondContact N-O 3.45Å; N273-I290 PolarHBondContact OD1-O 3.25Å; N273-D291 PolarHBondContact ND2-OD1 3.22Å; N273-D291 WeakPolarHBondContact OD1-CA 3.25Å; N273-I292 WeakPolarHBondContact OD1-CD1 3.36Å; N273-I292 VanDerWaalsContact OD1-CG1 3.25Å; N273-I292 WeakPolarHBondContact OD1-CG1 3.46Å; N273-I292 PolarHBondContact OD1-N 2.86Å
274T98.2Very high97.5Very high0 Ų036.3 Ų36.30%019%0.186CC..THydrogen-bonded Turntrans-63.7-20.9167.9500000112.4S58 P90 M127 T249 H250 T272 I292S58-T274 WeakPolarHBondContact CB-O 3.49Å; S58-T274 PolarHBondContact OG-O 2.65Å; P90-T274 HydrophobicContact CB-CG2 3.83Å; M127-T274 HydrophobicContact CB-CG2 4.35Å; M127-T274 HydrophobicContact CG-CG2 4.39Å; M127-T274 HydrophobicContact SD-CG2 3.7Å; T249-T274 HydrophobicContact CG2-CG2 4.4Å; T249-T274 PolarHBondContact O-OG1 2.82Å; H250-T274 PolarHBondContact ND1-OG1 3.45Å; T272-T274 PolarHBondContact O-N 2.66Å; T272-T274 WeakPolarHBondContact OG1-CB 3.48Å; T272-T274 WeakPolarHBondContact OG1-CG2 3.44Å; T272-T274 PolarHBondContact OG1-N 2.96Å; T272-T274 PolarHBondContact OG1-OG1 3.5Å; T274-I292 HydrophobicContact CG2-CD1 4.24Å; T274-I292 HydrophobicContact CG2-CG1 3.91Å
275I97.6Very high97.4Very high7 Ų741.7 Ų41.74%0.03622%0.221CC..SBendtrans-130.4141173.1-63.5-176.2000106.7C60 C91 H250 I252 N273 Q277C60-I275 HydrophobicContact CB-CB 4.18Å; C60-I275 HydrophobicContact CB-CD1 3.93Å; C60-I275 HydrophobicContact CB-CG1 3.79Å; C60-I275 HydrophobicContact CB-CG2 3.61Å; C91-I275 HydrophobicContact CB-CD1 4.13Å; C91-I275 HydrophobicContact CB-CG1 3.96Å; H250-I275 HydrophobicContact CB-CD1 4.2Å; I252-I275 HydrophobicContact CB-CD1 4.41Å; I252-I275 HydrophobicContact CG1-CD1 3.69Å; N273-I275 PolarHBondContact O-N 3.17Å; I275-Q277 VanDerWaalsContact O-CG 3.32Å; I275-Q277 WeakPolarHBondContact O-CG 3.37Å; I275-Q277 PolarHBondContact O-N 2.8Å; I275-Q277 PolarHBondContact O-NE2 2.89Å
276P96.9Very high97.4Very high41 Ų4141.5 Ų41.527%0.26621%0.214SC..  trans-55.8136.9176.5-22.830.7000112.9S11 H12S11-P276 WeakPolarHBondContact O-CG 3.49Å; H12-P276 HydrophobicContact CB-CG 4.08Å; H12-P276 VanDerWaalsContact CD2-CD 3.45Å; H12-P276 WeakPolarHBondContact CD2-CD 3.45Å
277Q96.9Very high97.4Very high1 Ų141.2 Ų41.21%0.00521%0.213CC..  trans-129.5-7.1-175.3-58-55.2-39.400113.9G251 V271 I275 E279 K280 M281 I289G251-Q277 PolarHBondContact O-NE2 2.8Å; V271-Q277 HydrophobicContact CG2-CG 3.8Å; I275-Q277 VanDerWaalsContact O-CG 3.32Å; I275-Q277 WeakPolarHBondContact O-CG 3.37Å; I275-Q277 PolarHBondContact O-N 2.8Å; I275-Q277 PolarHBondContact O-NE2 2.89Å; Q277-E279 VanDerWaalsContact C-N 3.33Å; Q277-E279 PolarHBondContact O-N 3.04Å; Q277-K280 WeakPolarHBondContact O-CA 3.15Å; Q277-K280 WeakPolarHBondContact O-CB 3.32Å; Q277-K280 PolarHBondContact O-N 3.32Å; Q277-K280 VanDerWaalsContact OE1-CD 3.3Å; Q277-M281 WeakPolarHBondContact O-CG 3.24Å; Q277-M281 PolarHBondContact O-N 2.85Å; Q277-I289 HydrophobicContact CB-CD1 3.65Å; Q277-I289 HydrophobicContact CB-CG1 4.1Å; Q277-I289 HydrophobicContact CG-CD1 4.27Å; Q277-I289 HydrophobicContact CG-CG1 4.37Å
278E93.9Very high97.4Very high73 Ų7340.3 Ų40.334%0.34121%0.209SC..Hα-helixtrans-56.2-46.4-170.6-63.972-160.100111.5K280 K282E278-K280 PolarHBondContact O-N 2.84Å; E278-K282 WeakPolarHBondContact O-CG 3.41Å; E278-K282 PolarHBondContact O-N 2.95Å
279E94.1Very high97.4Very high127 Ų12742.9 Ų42.959%0.59322%0.222SC*.Hα-helixtrans-67.9-34.8177.4-66.5-52.6131.700112.8Q277 K282Q277-E279 VanDerWaalsContact C-N 3.33Å; Q277-E279 PolarHBondContact O-N 3.04Å; E279-K282 VanDerWaalsContact CD-NZ 3.31Å; E279-K282 PolarHBondContact O-N 3.18Å; E279-K282 IonicContact OE1-NZ 3.28Å; E279-K282 PolarHBondContact OE1-NZ 3.44Å; E279-K282 IonicContact OE2-NZ 3.45Å; E279-K282 PolarHBondContact OE2-NZ 2.52Å
280K96.3Very high97.4Very high40 Ų4043.6 Ų43.617%0.17423%0.225CC..Hα-helixtrans-71.7-37.8-179.2-68172.5179.3163.70111.5G251 I252 F253 I258 Q277 E278 K282 S283 C284 I287G251-K280 PolarHBondContact O-NZ 3.08Å; I252-K280 PolarHBondContact O-NZ 3.45Å; F253-K280 HydrophobicContact CB-CD 3.86Å; F253-K280 HydrophobicContact CD2-CD 3.93Å; F253-K280 HydrophobicContact CG-CD 4.42Å; I258-K280 HydrophobicContact CD1-CB 3.81Å; I258-K280 HydrophobicContact CD1-CD 4.35Å; I258-K280 HydrophobicContact CD1-CG 4.03Å; I258-K280 HydrophobicContact CG1-CG 4.47Å; Q277-K280 WeakPolarHBondContact O-CA 3.15Å; Q277-K280 WeakPolarHBondContact O-CB 3.32Å; Q277-K280 PolarHBondContact O-N 3.32Å; Q277-K280 VanDerWaalsContact OE1-CD 3.3Å; E278-K280 PolarHBondContact O-N 2.84Å; K280-K282 VanDerWaalsContact C-N 3.32Å; K280-K282 PolarHBondContact O-N 3.49Å; K280-S283 CarbonylContact O-C 3.56Å; K280-S283 PolarHBondContact O-N 2.99Å; K280-S283 VanDerWaalsContact O-N 3.15Å; K280-C284 WeakPolarHBondContact O-CB 3.41Å; K280-C284 PolarHBondContact O-N 3.2Å; K280-I287 HydrophobicContact CB-CD1 4.2Å
281M97.4Very high97.3Very high75 Ų7546.4 Ų46.437%0.36924%0.24SC..Hα-helixtrans-62.5-36.8175.2-72179.57600112.5Q277 S283 C284 I287 I289Q277-M281 WeakPolarHBondContact O-CG 3.24Å; Q277-M281 PolarHBondContact O-N 2.85Å; M281-S283 PolarHBondContact O-N 3.37Å; M281-C284 CarbonylContact O-C 3.41Å; M281-C284 PolarHBondContact O-N 3.24Å; M281-C284 VanDerWaalsContact O-N 3.13Å; M281-I287 HydrophobicContact CG-CB 4.07Å; M281-I287 HydrophobicContact CG-CG2 3.69Å; M281-I289 HydrophobicContact CE-CD1 4.49Å; M281-I289 HydrophobicContact CE-CG1 4.48Å; M281-I289 HydrophobicContact CG-CD1 4.42Å; M281-I289 HydrophobicContact SD-CD1 3.23Å; M281-I289 WeakPolarHBondContact SD-CD1 3.48Å; M281-I289 HydrophobicContact SD-CG1 3.6Å; M281-I289 VanDerWaalsContact SD-CG1 3.6Å
282K96.9Very high97.3Very high150 Ų15046.4 Ų46.465%0.65224%0.24SC*.Hα-helixtrans-57.7-31.4175.5-67.3173-172.8170.60112.4E278 E279 K280E278-K282 WeakPolarHBondContact O-CG 3.41Å; E278-K282 PolarHBondContact O-N 2.95Å; E279-K282 VanDerWaalsContact CD-NZ 3.31Å; E279-K282 PolarHBondContact O-N 3.18Å; E279-K282 IonicContact OE1-NZ 3.28Å; E279-K282 PolarHBondContact OE1-NZ 3.44Å; E279-K282 IonicContact OE2-NZ 3.45Å; E279-K282 PolarHBondContact OE2-NZ 2.52Å; K280-K282 VanDerWaalsContact C-N 3.32Å; K280-K282 PolarHBondContact O-N 3.49Å
283S96.5Very high97.2Very high77 Ų7746.4 Ų46.454%0.53824%0.24SC..THydrogen-bonded Turntrans-101-2.7-178.9-62.40000113.7N262 K280 M281N262-S283 PolarHBondContact ND2-O 2.86Å; K280-S283 CarbonylContact O-C 3.56Å; K280-S283 PolarHBondContact O-N 2.99Å; K280-S283 VanDerWaalsContact O-N 3.15Å; M281-S283 PolarHBondContact O-N 3.37Å
284C97.7Very high97.2Very high0 Ų048.6 Ų48.60%025%0.251CS..  trans-146.396.1-175.7-164.80000111.1I258 I261 N262 K280 M281 K286 I287I258-C284 HydrophobicContact CD1-CB 4.36Å; I258-C284 HydrophobicContact CG2-CB 3.94Å; I261-C284 WeakPolarHBondContact CG2-SG 3.32Å; N262-C284 PolarHBondContact OD1-SG 3.21Å; K280-C284 WeakPolarHBondContact O-CB 3.41Å; K280-C284 PolarHBondContact O-N 3.2Å; M281-C284 CarbonylContact O-C 3.41Å; M281-C284 PolarHBondContact O-N 3.24Å; M281-C284 VanDerWaalsContact O-N 3.13Å; C284-K286 PolarHBondContact O-N 2.82Å; C284-K286 VanDerWaalsContact O-N 3.15Å; C284-I287 HydrophobicContact CB-CD1 3.65Å; C284-I287 HydrophobicContact CB-CG1 3.89Å; C284-I287 PolarHBondContact O-N 2.96Å
285P97.3Very high97.1Very high118 Ų11848.9 Ų48.977%0.76625%0.253SS*.THydrogen-bonded Turntrans-69-13.2-177.228.7-35.7000113.4I287P285-I287 VanDerWaalsContact C-N 3.32Å
286K98.1Very high97.2Very high47 Ų4748.6 Ų48.620%0.20425%0.251CS..THydrogen-bonded Turntrans-78.3-16.2177.1-62.6-179.6-177.21730113I261 N262 A264 F266 A268 V269 C284I261-K286 HydrophobicContact CG2-CB 4.38Å; I261-K286 HydrophobicContact CG2-CD 4.45Å; I261-K286 PolarHBondContact O-NZ 3.1Å; I261-K286 VanDerWaalsContact O-NZ 3.13Å; N262-K286 PolarHBondContact O-NZ 3.03Å; A264-K286 PolarHBondContact O-NZ 3.13Å; F266-K286 HydrophobicContact CB-CD 4.34Å; F266-K286 WeakPolarHBondContact O-CD 3.42Å; F266-K286 WeakPolarHBondContact O-CE 3.26Å; A268-K286 WeakPolarHBondContact CA-O 3.39Å; V269-K286 PolarHBondContact N-O 3.15Å; C284-K286 PolarHBondContact O-N 2.82Å; C284-K286 VanDerWaalsContact O-N 3.15Å
287I98.6Very high97.2Very high5 Ų546.9 Ų46.93%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-77.3129.2-177.2-67.1175.9000110.2F253 I258 V269 V271 K280 M281 C284 P285F253-I287 HydrophobicContact CD2-CD1 4.09Å; F253-I287 HydrophobicContact CE2-CD1 3.88Å; F253-I287 HydrophobicContact CE2-CG1 4.43Å; I258-I287 HydrophobicContact CD1-CD1 3.78Å; V269-I287 CarbonylContact O-C 3.57Å; V269-I287 VanDerWaalsContact O-CA 3.25Å; V269-I287 WeakPolarHBondContact O-CA 3.45Å; V271-I287 HydrophobicContact CG2-CG2 3.92Å; K280-I287 HydrophobicContact CB-CD1 4.2Å; M281-I287 HydrophobicContact CG-CB 4.07Å; M281-I287 HydrophobicContact CG-CG2 3.69Å; C284-I287 HydrophobicContact CB-CD1 3.65Å; C284-I287 HydrophobicContact CB-CG1 3.89Å; C284-I287 PolarHBondContact O-N 2.96Å; P285-I287 VanDerWaalsContact C-N 3.32Å
288Q98.5Very high97.3Very high76 Ų7648.3 Ų48.336%0.35525%0.247SC..EExtended strand (participates in β ladder)trans-122.6149.3170.7-58.6-171.820.100110.2W154 V269 V270 V271W154-Q288 VanDerWaalsContact CZ2-OE1 3.28Å; V269-Q288 PolarHBondContact O-N 2.93Å; V270-Q288 WeakPolarHBondContact CA-O 3.39Å; V270-Q288 HydrophobicContact CG2-CB 4.46Å; V271-Q288 PolarHBondContact N-O 3.15Å
289I98.1Very high97.5Very high57 Ų5744.9 Ų44.929%0.29223%0.231SC..EExtended strand (participates in β ladder)trans-113.1132.5-177.1-61.2177.5000110.5V271 N273 Q277 M281V271-I289 CarbonylContact O-C 3.57Å; V271-I289 VanDerWaalsContact O-CA 3.27Å; V271-I289 WeakPolarHBondContact O-CA 3.44Å; N273-I289 HydrophobicContact CB-CG2 3.85Å; Q277-I289 HydrophobicContact CB-CD1 3.65Å; Q277-I289 HydrophobicContact CB-CG1 4.1Å; Q277-I289 HydrophobicContact CG-CD1 4.27Å; Q277-I289 HydrophobicContact CG-CG1 4.37Å; M281-I289 HydrophobicContact CE-CD1 4.49Å; M281-I289 HydrophobicContact CE-CG1 4.48Å; M281-I289 HydrophobicContact CG-CD1 4.42Å; M281-I289 HydrophobicContact SD-CD1 3.23Å; M281-I289 WeakPolarHBondContact SD-CD1 3.48Å; M281-I289 HydrophobicContact SD-CG1 3.6Å; M281-I289 VanDerWaalsContact SD-CG1 3.6Å
290I98.3Very high97.7Very high18 Ų1838.8 Ų38.89%0.09220%0.202CC..EExtended strand (participates in β ladder)trans-94118.6160.6-61.7172.2000107.7A150 V151 W154 V270 V271 T272 N273 I292A150-I290 HydrophobicContact CB-CG2 3.78Å; V151-I290 HydrophobicContact CG2-CD1 4.26Å; W154-I290 HydrophobicContact CB-CD1 3.83Å; W154-I290 HydrophobicContact CB-CG1 4.31Å; W154-I290 HydrophobicContact CG-CD1 4.02Å; W154-I290 HydrophobicContact CG-CG1 4.19Å; V270-I290 HydrophobicContact CG1-CD1 3.61Å; V270-I290 HydrophobicContact CG1-CG1 3.68Å; V271-I290 PolarHBondContact O-N 3.45Å; T272-I290 VanDerWaalsContact CA-O 3.31Å; T272-I290 WeakPolarHBondContact CA-O 3.49Å; T272-I290 HydrophobicContact CG2-CB 4.45Å; N273-I290 PolarHBondContact N-O 3.45Å; N273-I290 PolarHBondContact OD1-O 3.25Å; I290-I292 HydrophobicContact CG2-CG2 4.34Å; I290-I292 PolarHBondContact O-N 2.94Å
291D97.6Very high97.8Very high60 Ų6040.5 Ų40.532%0.32121%0.208SC..  trans-74.2120.5174.3179.826.8000110.4R22 N273 A293R22-D291 IonicContact CZ-OD2 2.73Å; R22-D291 IonicContact NE-OD2 3.1Å; R22-D291 IonicContact NH2-OD2 2.84Å; R22-D291 PolarHBondContact NH2-OD2 3.08Å; N273-D291 PolarHBondContact ND2-OD1 3.22Å; N273-D291 WeakPolarHBondContact OD1-CA 3.25Å; D291-A293 WeakPolarHBondContact OD1-CB 3.32Å; D291-A293 PolarHBondContact OD1-N 3.14Å
292I97.6Very high97.8Very high0 Ų038.7 Ų38.70%020%0.197CC..  trans-105.16.3177.457.852.8000113.5L15 M127 T272 N273 T274 I290 M294 I295 L296L15-I292 HydrophobicContact CD1-CD1 3.61Å; L15-I292 HydrophobicContact CD2-CD1 4.07Å; L15-I292 HydrophobicContact CG-CD1 4.49Å; M127-I292 HydrophobicContact CE-CB 3.97Å; M127-I292 HydrophobicContact CE-CG1 4.25Å; M127-I292 HydrophobicContact CE-CG2 4.29Å; M127-I292 HydrophobicContact SD-CB 4.09Å; M127-I292 HydrophobicContact SD-CG1 3.97Å; M127-I292 HydrophobicContact SD-CG2 4.01Å; T272-I292 HydrophobicContact CG2-CG2 3.73Å; N273-I292 WeakPolarHBondContact OD1-CD1 3.36Å; N273-I292 VanDerWaalsContact OD1-CG1 3.25Å; N273-I292 WeakPolarHBondContact OD1-CG1 3.46Å; N273-I292 PolarHBondContact OD1-N 2.86Å; T274-I292 HydrophobicContact CG2-CD1 4.24Å; T274-I292 HydrophobicContact CG2-CG1 3.91Å; I290-I292 HydrophobicContact CG2-CG2 4.34Å; I290-I292 PolarHBondContact O-N 2.94Å; I292-M294 PolarHBondContact O-N 2.92Å; I292-I295 HydrophobicContact CB-CD1 4.36Å; I292-I295 HydrophobicContact CG2-CD1 4.1Å; I292-I295 PolarHBondContact O-N 3.17Å; I292-I295 VanDerWaalsContact O-N 3.08Å; I292-L296 HydrophobicContact CD1-CD1 3.58Å; I292-L296 HydrophobicContact CD1-CG 4.02Å; I292-L296 PolarHBondContact O-N 3.18Å; I292-L296 VanDerWaalsContact O-N 3.1Å
293A97.6Very high97.8Very high0 Ų032.2 Ų32.20%017%0.17CC..Hα-helixtrans-57.8-36179.600000112.3L15 K18 V19 D291 L296 A297L15-A293 HydrophobicContact CD1-CB 3.95Å; K18-A293 HydrophobicContact CB-CB 3.61Å; V19-A293 HydrophobicContact CG2-CB 4.13Å; D291-A293 WeakPolarHBondContact OD1-CB 3.32Å; D291-A293 PolarHBondContact OD1-N 3.14Å; A293-L296 PolarHBondContact O-N 2.93Å; A293-A297 VanDerWaalsContact O-CB 3.25Å; A293-A297 WeakPolarHBondContact O-CB 3.48Å; A293-A297 PolarHBondContact O-N 3.05Å
294M96.5Very high97.9Very high48 Ų4830.3 Ų30.324%0.23615%0.152CC..Hα-helixtrans-66-39177-166.959.812000112.6R22 I292 E298 P317 L318R22-M294 HydrophobicContact CB-SD 4.41Å; R22-M294 HydrophobicContact CG-SD 4.26Å; R22-M294 VanDerWaalsContact NH1-CE 3.26Å; R22-M294 PolarHBondContact NH1-SD 3.26Å; I292-M294 PolarHBondContact O-N 2.92Å; M294-E298 VanDerWaalsContact O-CB 3.25Å; M294-E298 WeakPolarHBondContact O-CB 3.49Å; M294-E298 PolarHBondContact O-N 3.31Å; M294-P317 HydrophobicContact CB-CG 4.36Å; M294-P317 HydrophobicContact CG-CB 4.09Å; M294-P317 HydrophobicContact CG-CG 3.78Å; M294-L318 WeakPolarHBondContact CE-O 2.88Å
295I97.6Very high97.8Very high7 Ų733.4 Ų33.44%0.03617%0.169CC..Hα-helixtrans-65.7-44.3178.2-54.7176.1000109.7M127 L145 A150 I292 A299 P317M127-I295 HydrophobicContact CE-CB 4.26Å; M127-I295 HydrophobicContact CE-CD1 4.48Å; M127-I295 HydrophobicContact CE-CG2 3.99Å; L145-I295 HydrophobicContact CD1-CG2 4.26Å; A150-I295 HydrophobicContact CB-CD1 4.3Å; I292-I295 HydrophobicContact CB-CD1 4.36Å; I292-I295 HydrophobicContact CG2-CD1 4.1Å; I292-I295 PolarHBondContact O-N 3.17Å; I292-I295 VanDerWaalsContact O-N 3.08Å; I295-A299 WeakPolarHBondContact O-CB 3.34Å; I295-A299 PolarHBondContact O-N 3.15Å; I295-P317 HydrophobicContact CG1-CG 4.2Å
296L98.1Very high97.7Very high1 Ų131.3 Ų31.31%0.00517%0.168CC..Hα-helixtrans-66.5-45.3177.6-66.2-179000112.3L15 V19 V88 P90 I125 M127 L145 I292 A293 E298 A299 I300L15-L296 HydrophobicContact CD1-CD1 4.18Å; L15-L296 HydrophobicContact CD2-CD1 3.87Å; L15-L296 HydrophobicContact CG-CD1 4.24Å; V19-L296 HydrophobicContact CG2-CB 3.89Å; V19-L296 HydrophobicContact CG2-CD1 4.32Å; V88-L296 HydrophobicContact CG1-CD2 4.28Å; P90-L296 HydrophobicContact CB-CD1 4.44Å; P90-L296 HydrophobicContact CG-CD1 3.91Å; I125-L296 HydrophobicContact CG2-CD2 4.5Å; M127-L296 HydrophobicContact CE-CD2 4.31Å; L145-L296 HydrophobicContact CD1-CD2 3.67Å; I292-L296 HydrophobicContact CD1-CD1 3.58Å; I292-L296 HydrophobicContact CD1-CG 4.02Å; I292-L296 PolarHBondContact O-N 3.18Å; I292-L296 VanDerWaalsContact O-N 3.1Å; A293-L296 PolarHBondContact O-N 2.93Å; L296-E298 PolarHBondContact O-N 3.22Å; L296-A299 PolarHBondContact O-N 2.99Å; L296-I300 VanDerWaalsContact O-CG1 3.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.17Å; L296-I300 PolarHBondContact O-N 3.27Å
297A98.3Very high97.6Very high4 Ų432.5 Ų32.53%0.03318%0.175CC..Hα-helixtrans-59.2-4717700000111.1V19 R22 L23 A293 A299 I300 R301V19-A297 HydrophobicContact CG1-CB 4.22Å; R22-A297 HydrophobicContact CB-CB 3.76Å; L23-A297 HydrophobicContact CD2-CB 4.29Å; L23-A297 WeakPolarHBondContact CD2-O 3.47Å; L23-A297 HydrophobicContact CG-CB 4.06Å; A293-A297 VanDerWaalsContact O-CB 3.25Å; A293-A297 WeakPolarHBondContact O-CB 3.48Å; A293-A297 PolarHBondContact O-N 3.05Å; A297-A299 VanDerWaalsContact C-N 3.34Å; A297-A299 PolarHBondContact O-N 3.36Å; A297-I300 PolarHBondContact O-N 2.98Å; A297-R301 WeakPolarHBondContact O-CB 3.31Å; A297-R301 PolarHBondContact O-N 3.12Å
298E98.1Very high97.3Very high32 Ų3235.6 Ų35.615%0.1520%0.197CC..Hα-helixtrans-67.8-34.2179.5-175.959.4-170.500112.3M294 L296 R301 R302 L312 P317M294-E298 VanDerWaalsContact O-CB 3.25Å; M294-E298 WeakPolarHBondContact O-CB 3.49Å; M294-E298 PolarHBondContact O-N 3.31Å; L296-E298 PolarHBondContact O-N 3.22Å; E298-R301 IonicContact OE1-CZ 3.12Å; E298-R301 IonicContact OE1-NE 2.74Å; E298-R301 IonicContact OE1-NH2 3.58Å; E298-R301 PolarHBondContact OE1-NH2 3.46Å; E298-R301 IonicContact OE2-CZ 3.19Å; E298-R301 IonicContact OE2-NE 2.74Å; E298-R301 PolarHBondContact OE2-NE 3.42Å; E298-R301 IonicContact OE2-NH2 3.57Å; E298-R302 WeakPolarHBondContact O-CB 3.36Å; E298-R302 WeakPolarHBondContact O-CG 2.89Å; E298-R302 PolarHBondContact O-N 3.02Å; E298-R302 IonicContact OE1-CZ 3.35Å; E298-R302 IonicContact OE1-NE 3.19Å; E298-R302 PolarHBondContact OE1-NE 3.07Å; E298-R302 IonicContact OE1-NH2 2.71Å; E298-R302 PolarHBondContact OE1-NH2 2.71Å; E298-L312 HydrophobicContact CB-CD1 4.2Å; E298-L312 HydrophobicContact CB-CD2 4.22Å; E298-L312 HydrophobicContact CG-CD1 4.09Å; E298-L312 HydrophobicContact CG-CD2 3.7Å; E298-L312 HydrophobicContact CG-CG 4.37Å; E298-P317 HydrophobicContact CB-CB 4.28Å; E298-P317 HydrophobicContact CB-CG 4.31Å; E298-P317 HydrophobicContact CG-CB 4.15Å
299A98.1Very high97.1Very high0 Ų032.6 Ų32.60%018%0.183CC..Hα-helixtrans-63.7-46.7172.200000111.5I125 L145 I295 L296 A297 R301 R302 T303 V309 L312I125-A299 HydrophobicContact CG2-CB 4.32Å; L145-A299 HydrophobicContact CD1-CB 3.82Å; L145-A299 HydrophobicContact CD2-CB 3.89Å; L145-A299 HydrophobicContact CG-CB 4.47Å; I295-A299 WeakPolarHBondContact O-CB 3.34Å; I295-A299 PolarHBondContact O-N 3.15Å; L296-A299 PolarHBondContact O-N 2.99Å; A297-A299 VanDerWaalsContact C-N 3.34Å; A297-A299 PolarHBondContact O-N 3.36Å; A299-R301 PolarHBondContact O-N 3.42Å; A299-R302 PolarHBondContact O-N 2.79Å; A299-T303 WeakPolarHBondContact O-CB 3.37Å; A299-T303 PolarHBondContact O-N 2.76Å; A299-T303 PolarHBondContact O-OG1 2.89Å; A299-V309 HydrophobicContact CB-CG1 4.42Å; A299-L312 HydrophobicContact CB-CD1 3.88Å
300I98.4Very high96.7Very high0 Ų032.9 Ų32.90%019%0.191CC..Hα-helixtrans-58.7-49.3175.8-71.2165.6000110.6I4 L6 V19 L23 Y54 V88 I125 L296 A297 R302 T303 H304I4-I300 HydrophobicContact CD1-CG2 3.42Å; I4-I300 VanDerWaalsContact CD1-CG2 3.42Å; L6-I300 HydrophobicContact CD1-CD1 4.16Å; V19-I300 HydrophobicContact CG1-CD1 3.61Å; L23-I300 HydrophobicContact CD1-CB 4.29Å; L23-I300 HydrophobicContact CD1-CD1 4.41Å; L23-I300 HydrophobicContact CD1-CG2 3.77Å; Y54-I300 HydrophobicContact CD1-CB 4.26Å; Y54-I300 HydrophobicContact CD1-CD1 4.45Å; Y54-I300 HydrophobicContact CD1-CG1 3.78Å; Y54-I300 HydrophobicContact CD1-CG2 3.79Å; Y54-I300 HydrophobicContact CD2-CG2 4.03Å; Y54-I300 HydrophobicContact CE1-CB 4.19Å; Y54-I300 HydrophobicContact CE1-CG1 4.09Å; Y54-I300 HydrophobicContact CE1-CG2 3.75Å; Y54-I300 HydrophobicContact CE2-CG2 4.01Å; Y54-I300 HydrophobicContact CG-CG1 4.43Å; Y54-I300 HydrophobicContact CG-CG2 3.93Å; Y54-I300 PolarHBondContact OH-O 3.01Å; V88-I300 HydrophobicContact CG2-CD1 4.09Å; V88-I300 HydrophobicContact CG2-CG1 4.17Å; I125-I300 HydrophobicContact CD1-CG1 4.11Å; L296-I300 VanDerWaalsContact O-CG1 3.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.17Å; L296-I300 PolarHBondContact O-N 3.27Å; A297-I300 PolarHBondContact O-N 2.98Å; I300-R302 PolarHBondContact O-N 3.47Å; I300-T303 PolarHBondContact O-N 3.13Å; I300-H304 WeakPolarHBondContact O-CB 3.38Å; I300-H304 PolarHBondContact O-N 3.42Å
301R97.9Very high96.3Very high75 Ų7537.1 Ų37.128%0.28321%0.206SC..Hα-helixtrans-57.7-46.3179.2-167.2-166.268.669.34.8111.7L23 A297 E298 A299 H304 N305 E307L23-R301 HydrophobicContact CD2-CB 3.96Å; A297-R301 WeakPolarHBondContact O-CB 3.31Å; A297-R301 PolarHBondContact O-N 3.12Å; E298-R301 IonicContact OE1-CZ 3.12Å; E298-R301 IonicContact OE1-NE 2.74Å; E298-R301 IonicContact OE1-NH2 3.58Å; E298-R301 PolarHBondContact OE1-NH2 3.46Å; E298-R301 IonicContact OE2-CZ 3.19Å; E298-R301 IonicContact OE2-NE 2.74Å; E298-R301 PolarHBondContact OE2-NE 3.42Å; E298-R301 IonicContact OE2-NH2 3.57Å; A299-R301 PolarHBondContact O-N 3.42Å; R301-H304 PolarHBondContact O-N 2.92Å; R301-N305 PolarHBondContact NH1-ND2 3.21Å; R301-N305 VanDerWaalsContact NH1-ND2 3.14Å; R301-N305 WeakPolarHBondContact O-CB 3.4Å; R301-N305 PolarHBondContact O-N 3.39Å; R301-E307 IonicContact CZ-OE1 2.83Å; R301-E307 IonicContact CZ-OE2 2.82Å; R301-E307 VanDerWaalsContact NH1-CD 3.29Å; R301-E307 IonicContact NH1-OE1 3.21Å; R301-E307 PolarHBondContact NH1-OE1 3.46Å; R301-E307 IonicContact NH1-OE2 2.79Å; R301-E307 PolarHBondContact NH1-OE2 3.03Å; R301-E307 VanDerWaalsContact NH1-OE2 3.12Å; R301-E307 IonicContact NH2-OE1 3.72Å; R301-E307 IonicContact NH2-OE2 2.84Å; R301-E307 PolarHBondContact NH2-OE2 3.41Å
302R97.6Very high95.9Very high38 Ų3834.4 Ų34.414%0.14319%0.192CC..Hα-helixtrans-66-43.5179.1-73.4173178.8-84.9-17.6112.1E298 A299 I300 H304 N305 G306 E307 S308 V309E298-R302 WeakPolarHBondContact O-CB 3.36Å; E298-R302 WeakPolarHBondContact O-CG 2.89Å; E298-R302 PolarHBondContact O-N 3.02Å; E298-R302 IonicContact OE1-CZ 3.35Å; E298-R302 IonicContact OE1-NE 3.19Å; E298-R302 PolarHBondContact OE1-NE 3.07Å; E298-R302 IonicContact OE1-NH2 2.71Å; E298-R302 PolarHBondContact OE1-NH2 2.71Å; A299-R302 PolarHBondContact O-N 2.79Å; I300-R302 PolarHBondContact O-N 3.47Å; R302-H304 VanDerWaalsContact C-N 3.28Å; R302-H304 PolarHBondContact O-N 3.39Å; R302-N305 PolarHBondContact O-N 2.96Å; R302-G306 PolarHBondContact O-N 3.04Å; R302-E307 HydrophobicContact CB-CB 3.97Å; R302-E307 HydrophobicContact CG-CB 3.91Å; R302-E307 PolarHBondContact O-N 3.3Å; R302-S308 WeakPolarHBondContact CD-O 3.31Å; R302-S308 PolarHBondContact NH1-O 3.18Å; R302-V309 HydrophobicContact CB-CG2 3.87Å
303T97.7Very high95.4Very high13 Ų1337.2 Ų37.28%0.0820%0.204CC..Hα-helixtrans-61.6-36.5176-68.40000112.4Y54 R84 H123 D143 A299 I300Y54-T303 HydrophobicContact CE1-CG2 4.2Å; R84-T303 PolarHBondContact NH2-O 3.45Å; H123-T303 VanDerWaalsContact CE1-CG2 3.49Å; H123-T303 WeakPolarHBondContact CE1-CG2 3.49Å; H123-T303 VanDerWaalsContact ND1-CG2 3.27Å; H123-T303 WeakPolarHBondContact ND1-CG2 3.36Å; D143-T303 PolarHBondContact OD2-OG1 3.2Å; A299-T303 WeakPolarHBondContact O-CB 3.37Å; A299-T303 PolarHBondContact O-N 2.76Å; A299-T303 PolarHBondContact O-OG1 2.89Å; I300-T303 PolarHBondContact O-N 3.13Å
304H97.6Very high94.8Very high37 Ų3740.1 Ų40.117%0.17123%0.225CC..Hα-helixtrans-67.6-46.8175.3-174.566.9000111.6P2 D52 Y54 I300 R301 R302 G306P2-H304 PolarHBondContact O-CE1 3.07Å; P2-H304 PolarHBondContact O-NE2 3.38Å; D52-H304 IonicContact OD2-CE1 3.84Å; D52-H304 IonicContact OD2-CG 3.51Å; D52-H304 IonicContact OD2-ND1 2.75Å; D52-H304 PolarHBondContact OD2-ND1 3.02Å; Y54-H304 WeakPolarHBondContact OH-CA 3.35Å; Y54-H304 PolarHBondContact OH-N 3.46Å; I300-H304 WeakPolarHBondContact O-CB 3.38Å; I300-H304 PolarHBondContact O-N 3.42Å; R301-H304 PolarHBondContact O-N 2.92Å; R302-H304 VanDerWaalsContact C-N 3.28Å; R302-H304 PolarHBondContact O-N 3.39Å; H304-G306 VanDerWaalsContact C-N 3.34Å; H304-G306 PolarHBondContact O-N 3.38Å
305N96.8Very high94.1Very high66 Ų6642.3 Ų42.335%0.35323%0.234SC..Hα-helixtrans-82.4-5.8-175.5-68.1-17.4000114.6R301 R302 E307R301-N305 PolarHBondContact NH1-ND2 3.21Å; R301-N305 VanDerWaalsContact NH1-ND2 3.14Å; R301-N305 WeakPolarHBondContact O-CB 3.4Å; R301-N305 PolarHBondContact O-N 3.39Å; R302-N305 PolarHBondContact O-N 2.96Å; N305-E307 VanDerWaalsContact C-N 3.29Å; N305-E307 HydrophobicContact CB-CG 3.86Å; N305-E307 WeakPolarHBondContact CB-OE1 3.11Å; N305-E307 PolarHBondContact ND2-OE1 3.26Å
306G94.4Very high93.2Very high73 Ų7344.2 Ų44.275%0.75325%0.246SC*.THydrogen-bonded Turntrans69.926-17300000113.5R302 H304R302-G306 PolarHBondContact O-N 3.04Å; H304-G306 VanDerWaalsContact C-N 3.34Å; H304-G306 PolarHBondContact O-N 3.38Å
307E95.6Very high92.3Very high73 Ų7345 Ų4534%0.34125%0.251SS..  trans-87.8160.5176.8-64.7171.7-144.600111.5R301 R302 N305 V309R301-E307 IonicContact CZ-OE1 2.83Å; R301-E307 IonicContact CZ-OE2 2.82Å; R301-E307 VanDerWaalsContact NH1-CD 3.29Å; R301-E307 IonicContact NH1-OE1 3.21Å; R301-E307 PolarHBondContact NH1-OE1 3.46Å; R301-E307 IonicContact NH1-OE2 2.79Å; R301-E307 PolarHBondContact NH1-OE2 3.03Å; R301-E307 VanDerWaalsContact NH1-OE2 3.12Å; R301-E307 IonicContact NH2-OE1 3.72Å; R301-E307 IonicContact NH2-OE2 2.84Å; R301-E307 PolarHBondContact NH2-OE2 3.41Å; R302-E307 HydrophobicContact CB-CB 3.97Å; R302-E307 HydrophobicContact CG-CB 3.91Å; R302-E307 PolarHBondContact O-N 3.3Å; N305-E307 VanDerWaalsContact C-N 3.29Å; N305-E307 HydrophobicContact CB-CG 3.86Å; N305-E307 WeakPolarHBondContact CB-OE1 3.11Å; N305-E307 PolarHBondContact ND2-OE1 3.26Å; E307-V309 PolarHBondContact O-N 2.91Å
308S93.6Very high90.8Very high70 Ų7055.1 Ų55.149%0.4930%0.303SS..  trans-71112.8-177.4-168.70000112.5R302 S310R302-S308 WeakPolarHBondContact CD-O 3.31Å; R302-S308 PolarHBondContact NH1-O 3.18Å; S308-S310 VanDerWaalsContact C-N 3.31Å; S308-S310 PolarHBondContact OG-OG 3.47Å
309V94.6Very high90.4Very high12 Ų1256.3 Ų56.37%0.07331%0.311CS..G310 helixtrans-70.5-26.2173.9179.20000112.1D143 L145 A299 R302 E307 Y311 L312 F313D143-V309 HydrophobicContact CB-CG1 4.38Å; L145-V309 HydrophobicContact CD2-CG1 3.83Å; A299-V309 HydrophobicContact CB-CG1 4.42Å; R302-V309 HydrophobicContact CB-CG2 3.87Å; E307-V309 PolarHBondContact O-N 2.91Å; V309-Y311 PolarHBondContact O-N 3.49Å; V309-L312 HydrophobicContact CG1-CD1 4.41Å; V309-L312 WeakPolarHBondContact O-CB 3.34Å; V309-L312 PolarHBondContact O-N 2.7Å; V309-F313 HydrophobicContact CG1-CE1 4.48Å
310S89.5Confident90Very high64 Ų6459.2 Ų59.245%0.44833%0.327SS..G310 helixtrans-58.9-20-176.666.10000115.1S308 L312 F313S308-S310 VanDerWaalsContact C-N 3.31Å; S308-S310 PolarHBondContact OG-OG 3.47Å; S310-L312 PolarHBondContact O-N 3.29Å; S310-F313 WeakPolarHBondContact O-CB 3.46Å; S310-F313 PolarHBondContact O-N 3.37Å; S310-F313 VanDerWaalsContact O-N 3.15Å
311Y88.8Confident89.5Confident106 Ų10662.5 Ų62.542%0.41635%0.345SS..G310 helixtrans-54.5-39.7172.2176.7-101.6000111.7V309 F313 S314 H315V309-Y311 PolarHBondContact O-N 3.49Å; Y311-F313 PolarHBondContact O-N 3.45Å; Y311-S314 PolarHBondContact O-N 3.4Å; Y311-S314 PolarHBondContact O-OG 3.45Å; Y311-H315 HydrophobicContact CD1-CB 4.41Å; Y311-H315 HydrophobicContact CE1-CB 3.86Å; Y311-H315 HydrophobicContact CE2-CB 4.01Å; Y311-H315 AromaticContact CE2-CG 3.77Å; Y311-H315 AromaticContact CE2-ND1 3.89Å; Y311-H315 AromaticContact CZ-CG 3.86Å; Y311-H315 PolarHBondContact O-N 2.7Å
312L90.3Very high89Confident3 Ų361.8 Ų61.82%0.01635%0.349CS..G310 helixtrans-69.7-15.9-177.9-59.6177.2000113.7L145 E298 A299 V309 S310 S314 P317L145-L312 HydrophobicContact CD2-CD1 4.39Å; E298-L312 HydrophobicContact CB-CD1 4.2Å; E298-L312 HydrophobicContact CB-CD2 4.22Å; E298-L312 HydrophobicContact CG-CD1 4.09Å; E298-L312 HydrophobicContact CG-CD2 3.7Å; E298-L312 HydrophobicContact CG-CG 4.37Å; A299-L312 HydrophobicContact CB-CD1 3.88Å; V309-L312 HydrophobicContact CG1-CD1 4.41Å; V309-L312 WeakPolarHBondContact O-CB 3.34Å; V309-L312 PolarHBondContact O-N 2.7Å; S310-L312 PolarHBondContact O-N 3.29Å; L312-S314 PolarHBondContact O-N 3.31Å; L312-P317 HydrophobicContact CD2-CB 4.08Å; L312-P317 HydrophobicContact CD2-CG 3.86Å
313F87.3Confident88.5Confident60 Ų6063.3 Ų63.326%0.26336%0.362SS..G310 helixtrans-73.6-13.6179.3-57.8-19.3000113N144 L145 Y146 V309 S310 Y311N144-F313 WeakPolarHBondContact O-CE1 3.39Å; L145-F313 HydrophobicContact CD2-CE1 4.09Å; Y146-F313 HydrophobicContact CD2-CB 3.94Å; Y146-F313 AromaticContact CD2-CD1 3.67Å; Y146-F313 HydrophobicContact CD2-CD1 3.67Å; Y146-F313 HydrophobicContact CD2-CE1 4.32Å; Y146-F313 AromaticContact CD2-CG 3.85Å; Y146-F313 HydrophobicContact CD2-CG 3.85Å; Y146-F313 HydrophobicContact CE2-CB 4.3Å; Y146-F313 AromaticContact CE2-CD1 3.92Å; Y146-F313 HydrophobicContact CE2-CD1 3.92Å; Y146-F313 HydrophobicContact CE2-CD2 4.25Å; Y146-F313 HydrophobicContact CE2-CE1 4.26Å; Y146-F313 AromaticContact CE2-CG 3.92Å; Y146-F313 HydrophobicContact CE2-CG 3.92Å; V309-F313 HydrophobicContact CG1-CE1 4.48Å; S310-F313 WeakPolarHBondContact O-CB 3.46Å; S310-F313 PolarHBondContact O-N 3.37Å; S310-F313 VanDerWaalsContact O-N 3.15Å; Y311-F313 PolarHBondContact O-N 3.45Å
314S83.1Confident87.9Confident61 Ų6166.6 Ų66.643%0.42738%0.381SS..THydrogen-bonded Turntrans-130.8-15.8-177.450.30000114.2Y311 L312Y311-S314 PolarHBondContact O-N 3.4Å; Y311-S314 PolarHBondContact O-OG 3.45Å; L312-S314 PolarHBondContact O-N 3.31Å
315H83.4Confident87.2Confident93 Ų9368.7 Ų68.743%0.43140%0.396SS..  trans-128.3134.2-176.2-60.677000110.4Y311Y311-H315 HydrophobicContact CD1-CB 4.41Å; Y311-H315 HydrophobicContact CE1-CB 3.86Å; Y311-H315 HydrophobicContact CE2-CB 4.01Å; Y311-H315 AromaticContact CE2-CG 3.77Å; Y311-H315 AromaticContact CE2-ND1 3.89Å; Y311-H315 AromaticContact CZ-CG 3.86Å; Y311-H315 PolarHBondContact O-N 2.7Å
316V78.9Confident86.4Confident47 Ų4768.9 Ų68.929%0.28540%0.399SS..  trans-76.4124.2167.9-175.20000107.4P149 A150P149-V316 HydrophobicContact CB-CG2 3.56Å; P149-V316 WeakPolarHBondContact O-CG2 3.4Å; A150-V316 HydrophobicContact CB-CG2 4.23Å
317P78.5Confident85.8Confident17 Ų1768.6 Ų68.611%0.1137%0.369CS..  trans-64.2139.2173.826.6-31.9000110.1M294 I295 E298 L312M294-P317 HydrophobicContact CB-CG 4.36Å; M294-P317 HydrophobicContact CG-CB 4.09Å; M294-P317 HydrophobicContact CG-CG 3.78Å; I295-P317 HydrophobicContact CG1-CG 4.2Å; E298-P317 HydrophobicContact CB-CB 4.28Å; E298-P317 HydrophobicContact CB-CG 4.31Å; E298-P317 HydrophobicContact CG-CB 4.15Å; L312-P317 HydrophobicContact CD2-CB 4.08Å; L312-P317 HydrophobicContact CD2-CG 3.86Å
318L65.8Low84.9Confident217 Ų21768.2 Ų68.2100%1.13637%0.372SS*.  trans-71.90175.6-68.3170.6000110.8M294M294-L318 WeakPolarHBondContact CE-O 2.88Å

Retrieved 318 of 318 residues in 67.5 ms (Link to these results)

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