A0A077ZID1_TRITR Loading...

DNA polymerase alpha subunit B

AlphaFold DB , UniProt , Accession A0A077ZID1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 556 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
1M50.3Low75Confident200 Ų200105 Ų10599%0.98551%0.505SS*.  0-61.40-154.7176-79.900111.3L3 I4 F5M1-L3 PolarHBondContact O-N 2.77Å; M1-I4 PolarHBondContact O-N 2.98Å; M1-I4 VanDerWaalsContact O-N 3.08Å; M1-F5 PolarHBondContact O-N 2.91Å; M1-F5 VanDerWaalsContact O-N 3.14Å
2L57.4Low76.2Confident126 Ų126105.5 Ų105.566%0.6651%0.506SS*.Hα-helixtrans-52.5-46.6176.7-97.9148.4000114.7I4 F5 F6L2-I4 VanDerWaalsContact C-N 3.28Å; L2-I4 PolarHBondContact O-N 3.01Å; L2-F5 PolarHBondContact O-N 2.74Å; L2-F6 HydrophobicContact CB-CE2 4.21Å; L2-F6 HydrophobicContact CD2-CD2 4.28Å; L2-F6 HydrophobicContact CD2-CE2 3.36Å; L2-F6 HydrophobicContact CD2-CZ 3.54Å; L2-F6 HydrophobicContact CG-CE2 4.41Å; L2-F6 WeakPolarHBondContact O-CD2 3.48Å; L2-F6 WeakPolarHBondContact O-CG 3.49Å; L2-F6 PolarHBondContact O-N 3.34Å
3L61.7Low77.5Confident151 Ų15197.4 Ų97.479%0.79147%0.467SS*.Hα-helixtrans-61.6-32.6177.8-84.7160000114M1 K7M1-L3 PolarHBondContact O-N 2.77Å; L3-K7 PolarHBondContact O-N 2.89Å
4I67Low78.6Confident105 Ų10593 Ų9354%0.53844%0.443SS..Hα-helixtrans-72.6-48.4179.2-62.2172.2000108.8M1 L2 F6 K7 E8M1-I4 PolarHBondContact O-N 2.98Å; M1-I4 VanDerWaalsContact O-N 3.08Å; L2-I4 VanDerWaalsContact C-N 3.28Å; L2-I4 PolarHBondContact O-N 3.01Å; I4-F6 VanDerWaalsContact C-N 3.33Å; I4-F6 PolarHBondContact O-N 3.38Å; I4-K7 WeakPolarHBondContact O-CB 3.44Å; I4-K7 PolarHBondContact O-N 3.25Å; I4-K7 VanDerWaalsContact O-N 3.07Å; I4-E8 PolarHBondContact O-N 3.38Å
5F70Confident79.2Confident119 Ų11990.3 Ų90.352%0.52244%0.439SS..Hα-helixtrans-57.8-43.3177.7-173.7-94.5000112.5M1 L2 K7 E8 Q9M1-F5 PolarHBondContact O-N 2.91Å; M1-F5 VanDerWaalsContact O-N 3.14Å; L2-F5 PolarHBondContact O-N 2.74Å; F5-K7 VanDerWaalsContact C-N 3.33Å; F5-K7 PolarHBondContact O-N 2.86Å; F5-E8 PolarHBondContact O-N 3.12Å; F5-Q9 WeakPolarHBondContact O-CB 3.38Å; F5-Q9 PolarHBondContact O-N 3.35Å
6F81.2Confident79.9Confident72 Ų7287.6 Ų87.632%0.31643%0.425SS..Hα-helixtrans-65-36.3176.3-71.6-51.2000113.1L2 I4 I10 L35L2-F6 HydrophobicContact CB-CE2 4.21Å; L2-F6 HydrophobicContact CD2-CD2 4.28Å; L2-F6 HydrophobicContact CD2-CE2 3.36Å; L2-F6 HydrophobicContact CD2-CZ 3.54Å; L2-F6 HydrophobicContact CG-CE2 4.41Å; L2-F6 WeakPolarHBondContact O-CD2 3.48Å; L2-F6 WeakPolarHBondContact O-CG 3.49Å; L2-F6 PolarHBondContact O-N 3.34Å; I4-F6 VanDerWaalsContact C-N 3.33Å; I4-F6 PolarHBondContact O-N 3.38Å; F6-I10 WeakPolarHBondContact O-CB 3.37Å; F6-I10 VanDerWaalsContact O-CG1 3.28Å; F6-I10 WeakPolarHBondContact O-CG1 3.15Å; F6-I10 PolarHBondContact O-N 2.95Å; F6-I10 VanDerWaalsContact O-N 3.1Å; F6-L35 HydrophobicContact CB-CD1 4.18Å; F6-L35 HydrophobicContact CD1-CD1 3.8Å; F6-L35 HydrophobicContact CD1-CD2 4.45Å; F6-L35 HydrophobicContact CG-CD1 4.28Å
7K80.1Confident80.6Confident148 Ų14882.5 Ų82.564%0.64340%0.4SS*.Hα-helixtrans-67.8-45.5178.6-169.5-179177.5-173.10110.8L3 I4 F5 I10 E11L3-K7 PolarHBondContact O-N 2.89Å; I4-K7 WeakPolarHBondContact O-CB 3.44Å; I4-K7 PolarHBondContact O-N 3.25Å; I4-K7 VanDerWaalsContact O-N 3.07Å; F5-K7 VanDerWaalsContact C-N 3.33Å; F5-K7 PolarHBondContact O-N 2.86Å; K7-I10 PolarHBondContact O-N 3.5Å; K7-E11 WeakPolarHBondContact O-CG 3.44Å; K7-E11 PolarHBondContact O-N 2.97Å; K7-E11 VanDerWaalsContact O-N 3.09Å
8E86.1Confident81.1Confident112 Ų11282.6 Ų82.652%0.52340%0.402SS..Hα-helixtrans-58.6-49.7176.7-72.7171.2178.700111.4I4 F5 I10 E11 E12I4-E8 PolarHBondContact O-N 3.38Å; F5-E8 PolarHBondContact O-N 3.12Å; E8-I10 VanDerWaalsContact C-N 3.31Å; E8-I10 PolarHBondContact O-N 3.45Å; E8-E11 PolarHBondContact O-N 2.86Å; E8-E11 VanDerWaalsContact O-N 3.14Å; E8-E12 WeakPolarHBondContact O-CG 3.09Å; E8-E12 PolarHBondContact O-N 3.28Å
9Q88.6Confident81.2Confident21 Ų2178.6 Ų78.610%0.09838%0.383CS..Hα-helixtrans-61.9-36.4179.5-169.1177.11600112.9F5 I13 L35F5-Q9 WeakPolarHBondContact O-CB 3.38Å; F5-Q9 PolarHBondContact O-N 3.35Å; Q9-I13 HydrophobicContact CG-CD1 4.21Å; Q9-I13 WeakPolarHBondContact O-CD1 3.36Å; Q9-I13 VanDerWaalsContact O-CG1 3.24Å; Q9-I13 WeakPolarHBondContact O-CG1 3.47Å; Q9-I13 PolarHBondContact O-N 3.41Å; Q9-L35 HydrophobicContact CB-CD2 3.96Å; Q9-L35 HydrophobicContact CG-CD2 3.76Å
10I92Very high81.5Confident11 Ų1175.3 Ų75.36%0.05637%0.367CS..Hα-helixtrans-65.6-42.3175.2-76.3-68000111.7F6 K7 E8 I13 R14 L24 M31 L35F6-I10 WeakPolarHBondContact O-CB 3.37Å; F6-I10 VanDerWaalsContact O-CG1 3.28Å; F6-I10 WeakPolarHBondContact O-CG1 3.15Å; F6-I10 PolarHBondContact O-N 2.95Å; F6-I10 VanDerWaalsContact O-N 3.1Å; K7-I10 PolarHBondContact O-N 3.5Å; E8-I10 VanDerWaalsContact C-N 3.31Å; E8-I10 PolarHBondContact O-N 3.45Å; I10-I13 PolarHBondContact O-N 2.74Å; I10-R14 WeakPolarHBondContact O-CB 3.36Å; I10-R14 VanDerWaalsContact O-CG 3.32Å; I10-R14 WeakPolarHBondContact O-CG 3.49Å; I10-R14 PolarHBondContact O-N 3.19Å; I10-L24 HydrophobicContact CD1-CD2 3.94Å; I10-L24 HydrophobicContact CG2-CD2 4.31Å; I10-M31 HydrophobicContact CD1-CB 3.71Å; I10-M31 HydrophobicContact CD1-CG 4.07Å; I10-M31 HydrophobicContact CG2-CG 4.49Å; I10-M31 HydrophobicContact CG2-SD 3.88Å; I10-L35 HydrophobicContact CD1-CD1 3.79Å; I10-L35 HydrophobicContact CD1-CD2 3.96Å; I10-L35 HydrophobicContact CD1-CG 3.59Å; I10-L35 HydrophobicContact CG1-CD1 3.75Å; I10-L35 HydrophobicContact CG1-CD2 4.03Å; I10-L35 HydrophobicContact CG1-CG 3.96Å
11E90.3Very high81.8Confident90 Ų9072.4 Ų72.442%0.42136%0.357SS..Hα-helixtrans-67.8-36.3178.4-65.9-51.9137.500111.7K7 E8 R14 S15K7-E11 WeakPolarHBondContact O-CG 3.44Å; K7-E11 PolarHBondContact O-N 2.97Å; K7-E11 VanDerWaalsContact O-N 3.09Å; E8-E11 PolarHBondContact O-N 2.86Å; E8-E11 VanDerWaalsContact O-N 3.14Å; E11-R14 WeakPolarHBondContact O-CB 3.27Å; E11-R14 PolarHBondContact O-N 3.33Å; E11-R14 IonicContact OE1-CZ 3.74Å; E11-R14 IonicContact OE1-NH1 3.21Å; E11-R14 PolarHBondContact OE1-NH1 3Å; E11-R14 IonicContact OE2-NH1 2.72Å; E11-S15 WeakPolarHBondContact O-CB 3.34Å; E11-S15 PolarHBondContact O-N 3.48Å
12E89.9Confident83.8Confident111 Ų11163.5 Ų63.552%0.51931%0.312SS..Hα-helixtrans-61.8-49.4171-70178.4-178.900111.3E8 R14 S15 E16 A45E8-E12 WeakPolarHBondContact O-CG 3.09Å; E8-E12 PolarHBondContact O-N 3.28Å; E12-R14 VanDerWaalsContact C-N 3.27Å; E12-R14 PolarHBondContact O-N 2.95Å; E12-S15 PolarHBondContact O-N 2.81Å; E12-E16 WeakPolarHBondContact O-CG 3.26Å; E12-E16 PolarHBondContact O-N 3.19Å; E12-A45 HydrophobicContact CB-CB 3.52Å
13I92.6Very high85.5Confident0 Ų062.2 Ų62.20%030%0.302CS..Hα-helixtrans-57.9-43177.1-70.7164.6000110.6Q9 I10 E16 L17 L24 L35 A45 F48Q9-I13 HydrophobicContact CG-CD1 4.21Å; Q9-I13 WeakPolarHBondContact O-CD1 3.36Å; Q9-I13 VanDerWaalsContact O-CG1 3.24Å; Q9-I13 WeakPolarHBondContact O-CG1 3.47Å; Q9-I13 PolarHBondContact O-N 3.41Å; I10-I13 PolarHBondContact O-N 2.74Å; I13-E16 PolarHBondContact O-N 3.43Å; I13-L17 HydrophobicContact CG2-CD1 3.67Å; I13-L17 HydrophobicContact CG2-CG 4.3Å; I13-L17 WeakPolarHBondContact O-CB 3.47Å; I13-L17 VanDerWaalsContact O-CG 3.24Å; I13-L17 WeakPolarHBondContact O-CG 3.46Å; I13-L17 PolarHBondContact O-N 3.49Å; I13-L24 HydrophobicContact CG2-CD2 4.02Å; I13-L35 HydrophobicContact CD1-CD2 4.25Å; I13-A45 HydrophobicContact CG1-CB 3.78Å; I13-F48 HydrophobicContact CG1-CD1 4.28Å; I13-F48 HydrophobicContact CG2-CD1 3.66Å; I13-F48 HydrophobicContact CG2-CE1 3.67Å
14R93.4Very high87Confident36 Ų3655.4 Ų55.414%0.13627%0.267CS..Hα-helixtrans-59.3-51.3176.1-81.1169175.6179.7-4.4111.3I10 E11 E12 E16 L17 L18 L24 N26 M31I10-R14 WeakPolarHBondContact O-CB 3.36Å; I10-R14 VanDerWaalsContact O-CG 3.32Å; I10-R14 WeakPolarHBondContact O-CG 3.49Å; I10-R14 PolarHBondContact O-N 3.19Å; E11-R14 WeakPolarHBondContact O-CB 3.27Å; E11-R14 PolarHBondContact O-N 3.33Å; E11-R14 IonicContact OE1-CZ 3.74Å; E11-R14 IonicContact OE1-NH1 3.21Å; E11-R14 PolarHBondContact OE1-NH1 3Å; E11-R14 IonicContact OE2-NH1 2.72Å; E12-R14 VanDerWaalsContact C-N 3.27Å; E12-R14 PolarHBondContact O-N 2.95Å; R14-E16 VanDerWaalsContact C-N 3.31Å; R14-E16 PolarHBondContact O-N 3.07Å; R14-L17 PolarHBondContact O-N 3Å; R14-L18 HydrophobicContact CB-CD1 4.36Å; R14-L18 WeakPolarHBondContact O-CB 3.23Å; R14-L18 WeakPolarHBondContact O-CD1 3.39Å; R14-L18 PolarHBondContact O-N 2.92Å; R14-L24 HydrophobicContact CG-CB 3.93Å; R14-L24 HydrophobicContact CG-CD2 4.06Å; R14-L24 HydrophobicContact CG-CG 4.43Å; R14-N26 PolarHBondContact NH1-OD1 2.91Å; R14-N26 PolarHBondContact NH2-OD1 3.5Å; R14-M31 PolarHBondContact NH2-SD 3.26Å
15S87.6Confident88.2Confident53 Ų5351.6 Ų51.637%0.37125%0.249SC..Hα-helixtrans-56.5-46.6-179.1-177.60000111.5E11 E12 L18 L19E11-S15 WeakPolarHBondContact O-CB 3.34Å; E11-S15 PolarHBondContact O-N 3.48Å; E12-S15 PolarHBondContact O-N 2.81Å; S15-L18 PolarHBondContact O-N 3.48Å; S15-L19 PolarHBondContact O-N 3.4Å; S15-L19 VanDerWaalsContact O-N 3.11Å
16E90.1Very high89.2Confident47 Ų4752.8 Ų52.822%0.2226%0.261CS..Hα-helixtrans-66.7-39179.8-67.1-59.314500112.9E12 I13 R14 L19 A45 A49E12-E16 WeakPolarHBondContact O-CG 3.26Å; E12-E16 PolarHBondContact O-N 3.19Å; I13-E16 PolarHBondContact O-N 3.43Å; R14-E16 VanDerWaalsContact C-N 3.31Å; R14-E16 PolarHBondContact O-N 3.07Å; E16-L19 WeakPolarHBondContact O-CB 3.47Å; E16-A45 HydrophobicContact CG-CB 4.46Å; E16-A49 HydrophobicContact CB-CB 3.43Å; E16-A49 VanDerWaalsContact CB-CB 3.43Å
17L92.1Very high89.7Confident0 Ų052.9 Ų52.90%027%0.265CS..Hα-helixtrans-67.7-45.5174.6-72.1169.7000111.9I13 R14 L19 F20 G21 Y22 L24 F48 A49 Y52 I53 L65I13-L17 HydrophobicContact CG2-CD1 3.67Å; I13-L17 HydrophobicContact CG2-CG 4.3Å; I13-L17 WeakPolarHBondContact O-CB 3.47Å; I13-L17 VanDerWaalsContact O-CG 3.24Å; I13-L17 WeakPolarHBondContact O-CG 3.46Å; I13-L17 PolarHBondContact O-N 3.49Å; R14-L17 PolarHBondContact O-N 3Å; L17-L19 PolarHBondContact O-N 2.92Å; L17-F20 PolarHBondContact O-N 2.98Å; L17-F20 VanDerWaalsContact O-N 3.1Å; L17-G21 PolarHBondContact O-N 3.33Å; L17-Y22 CarbonylContact C-O 3.5Å; L17-Y22 WeakPolarHBondContact CB-O 3.45Å; L17-Y22 WeakPolarHBondContact O-CB 3.41Å; L17-Y22 PolarHBondContact O-N 2.98Å; L17-L24 HydrophobicContact CD1-CB 3.92Å; L17-F48 HydrophobicContact CD1-CE1 4.34Å; L17-A49 HydrophobicContact CD2-CB 3.99Å; L17-A49 HydrophobicContact CG-CB 4.09Å; L17-Y52 HydrophobicContact CD2-CD1 4.02Å; L17-I53 HydrophobicContact CD2-CD1 4.26Å; L17-I53 HydrophobicContact CD2-CG1 4.02Å; L17-L65 HydrophobicContact CD1-CD1 3.88Å; L17-L65 HydrophobicContact CD1-CD2 3.63Å; L17-L65 HydrophobicContact CD1-CG 4.44Å; L17-L65 HydrophobicContact CD2-CD1 4.25Å
18L89.7Confident90.2Very high84 Ų8449.2 Ų49.244%0.4426%0.262SS..Hα-helixtrans-63.5-29.9-177.7-97.582.9000112R14 S15 F20 G21 Y22R14-L18 HydrophobicContact CB-CD1 4.36Å; R14-L18 WeakPolarHBondContact O-CB 3.23Å; R14-L18 WeakPolarHBondContact O-CD1 3.39Å; R14-L18 PolarHBondContact O-N 2.92Å; S15-L18 PolarHBondContact O-N 3.48Å; L18-F20 PolarHBondContact O-N 3.05Å; L18-G21 PolarHBondContact O-N 2.93Å; L18-Y22 WeakPolarHBondContact CA-O 3.48Å; L18-Y22 PolarHBondContact N-O 3.41Å; L18-Y22 VanDerWaalsContact N-O 3.16Å
19L83.6Confident90.6Very high8 Ų847.5 Ų47.54%0.04226%0.259CS..THydrogen-bonded Turntrans-52.8-31.2175.6-174.960.5000112.2S15 E16 L17 R455 M456 C505S15-L19 PolarHBondContact O-N 3.4Å; S15-L19 VanDerWaalsContact O-N 3.11Å; E16-L19 WeakPolarHBondContact O-CB 3.47Å; L17-L19 PolarHBondContact O-N 2.92Å; L19-R455 HydrophobicContact CD1-CB 4.34Å; L19-R455 HydrophobicContact CD1-CG 4.09Å; L19-M456 HydrophobicContact CD1-CE 4.19Å; L19-M456 HydrophobicContact CD2-CE 3.7Å; L19-M456 HydrophobicContact CG-CE 3.78Å; L19-M456 WeakPolarHBondContact O-CB 3.36Å; L19-M456 PolarHBondContact O-N 2.79Å; L19-C505 HydrophobicContact CD2-CB 4.04Å
20F87.1Confident90.9Very high12 Ų1246.8 Ų46.85%0.05326%0.256CS..THydrogen-bonded Turntrans-108.112.6179.2-62.6-91.9000113.7L17 L18 Y22 I53 M456 Q506 F508L17-F20 PolarHBondContact O-N 2.98Å; L17-F20 VanDerWaalsContact O-N 3.1Å; L18-F20 PolarHBondContact O-N 3.05Å; F20-Y22 VanDerWaalsContact C-N 3.33Å; F20-Y22 HydrophobicContact CB-CD2 3.99Å; F20-Y22 HydrophobicContact CB-CE2 4.39Å; F20-Y22 WeakPolarHBondContact O-CD2 3.32Å; F20-I53 HydrophobicContact CB-CD1 3.78Å; F20-I53 HydrophobicContact CB-CG1 4.45Å; F20-I53 HydrophobicContact CB-CG2 4.36Å; F20-I53 HydrophobicContact CD2-CD1 3.54Å; F20-I53 HydrophobicContact CE2-CD1 4.39Å; F20-I53 HydrophobicContact CG-CD1 3.81Å; F20-M456 HydrophobicContact CD1-CB 4.31Å; F20-M456 HydrophobicContact CD1-CG 4.38Å; F20-M456 HydrophobicContact CE1-CB 4.32Å; F20-M456 HydrophobicContact CE1-CE 3.73Å; F20-M456 HydrophobicContact CE1-CG 3.96Å; F20-M456 HydrophobicContact CE2-CE 4.02Å; F20-M456 HydrophobicContact CZ-CE 3.36Å; F20-Q506 HydrophobicContact CD2-CB 4.28Å; F20-Q506 HydrophobicContact CD2-CG 4.36Å; F20-Q506 HydrophobicContact CE1-CG 4.22Å; F20-Q506 HydrophobicContact CE2-CB 3.51Å; F20-Q506 HydrophobicContact CE2-CG 3.91Å; F20-Q506 HydrophobicContact CZ-CB 3.63Å; F20-Q506 HydrophobicContact CZ-CG 3.81Å; F20-Q506 WeakPolarHBondContact CZ-O 3.44Å; F20-F508 HydrophobicContact CE1-CB 4.1Å; F20-F508 AromaticContact CE1-CD1 3.79Å; F20-F508 HydrophobicContact CE1-CD1 3.79Å; F20-F508 HydrophobicContact CE1-CG 4.31Å; F20-F508 HydrophobicContact CZ-CD1 4.1Å
21G87.2Confident91Very high15 Ų1548.2 Ų48.216%0.15526%0.263CS..THydrogen-bonded Turntrans78.612.818000000114.5L17 L18 H23 N63L17-G21 PolarHBondContact O-N 3.33Å; L18-G21 PolarHBondContact O-N 2.93Å; G21-H23 PolarHBondContact O-CE1 3.38Å; G21-H23 PolarHBondContact O-ND1 3.44Å; G21-N63 VanDerWaalsContact O-CB 3.3Å; G21-N63 WeakPolarHBondContact O-CB 3.42Å
22Y91.8Very high91.2Very high13 Ų1347.2 Ų47.25%0.05126%0.26CS..  trans-90.5142.5174.2-70.9-97.1000111.3L17 L18 F20 Y52 I53 A56 Y57 N63L17-Y22 CarbonylContact C-O 3.5Å; L17-Y22 WeakPolarHBondContact CB-O 3.45Å; L17-Y22 WeakPolarHBondContact O-CB 3.41Å; L17-Y22 PolarHBondContact O-N 2.98Å; L18-Y22 WeakPolarHBondContact CA-O 3.48Å; L18-Y22 PolarHBondContact N-O 3.41Å; L18-Y22 VanDerWaalsContact N-O 3.16Å; F20-Y22 VanDerWaalsContact C-N 3.33Å; F20-Y22 HydrophobicContact CB-CD2 3.99Å; F20-Y22 HydrophobicContact CB-CE2 4.39Å; F20-Y22 WeakPolarHBondContact O-CD2 3.32Å; Y22-Y52 HydrophobicContact CD1-CE1 4.28Å; Y22-I53 HydrophobicContact CD2-CB 4.42Å; Y22-I53 HydrophobicContact CD2-CD1 4.36Å; Y22-I53 HydrophobicContact CD2-CG1 3.68Å; Y22-I53 HydrophobicContact CD2-CG2 4.19Å; Y22-I53 HydrophobicContact CE2-CB 4.27Å; Y22-I53 HydrophobicContact CE2-CG1 4.02Å; Y22-I53 HydrophobicContact CE2-CG2 3.71Å; Y22-I53 HydrophobicContact CG-CG1 4.06Å; Y22-A56 HydrophobicContact CD1-CB 4.38Å; Y22-A56 HydrophobicContact CE1-CB 3.49Å; Y22-A56 VanDerWaalsContact CE1-CB 3.49Å; Y22-Y57 PolarHBondContact OH-N 2.72Å; Y22-N63 CarbonylContact C-O 3.47Å; Y22-N63 WeakPolarHBondContact CA-O 3.35Å; Y22-N63 HydrophobicContact CD1-CB 3.97Å; Y22-N63 WeakPolarHBondContact CD1-O 3.32Å; Y22-N63 HydrophobicContact CE1-CB 4.17Å; Y22-N63 HydrophobicContact CG-CB 4.3Å
23H92.5Very high91.4Very high98 Ų9843.3 Ų43.345%0.45424%0.241SC..BIsolated β-bridgetrans-121.6121-171.3-62.678.2000110.7G21 P25 N63 L65G21-H23 PolarHBondContact O-CE1 3.38Å; G21-H23 PolarHBondContact O-ND1 3.44Å; H23-P25 VanDerWaalsContact O-CD 3.3Å; H23-P25 WeakPolarHBondContact O-CD 3.3Å; H23-N63 PolarHBondContact N-O 3.32Å; H23-L65 WeakPolarHBondContact O-CD1 3.17Å; H23-L65 PolarHBondContact O-N 2.89Å
24L94.2Very high91.5Very high9 Ų943.3 Ų43.35%0.04724%0.241CC..  trans-87106.3165.7178.266.3000108.7I10 I13 R14 L17 V30 M31 A34 L65I10-L24 HydrophobicContact CD1-CD2 3.94Å; I10-L24 HydrophobicContact CG2-CD2 4.31Å; I13-L24 HydrophobicContact CG2-CD2 4.02Å; R14-L24 HydrophobicContact CG-CB 3.93Å; R14-L24 HydrophobicContact CG-CD2 4.06Å; R14-L24 HydrophobicContact CG-CG 4.43Å; L17-L24 HydrophobicContact CD1-CB 3.92Å; L24-V30 HydrophobicContact CD1-CG1 3.78Å; L24-M31 HydrophobicContact CD1-CG 4.47Å; L24-M31 HydrophobicContact CD2-CG 4.15Å; L24-M31 HydrophobicContact CG-CG 4.21Å; L24-A34 HydrophobicContact CD1-CB 4.29Å; L24-L65 HydrophobicContact CB-CD2 4.41Å; L24-L65 HydrophobicContact CD1-CB 4.18Å; L24-L65 HydrophobicContact CD1-CD2 3.73Å
25P92.9Very high91.6Very high25 Ų2542.2 Ų42.216%0.16224%0.238CC..  trans-63.2156.7-174.625.8-35.3000112.1H23 N27 V30 E64 L65H23-P25 VanDerWaalsContact O-CD 3.3Å; H23-P25 WeakPolarHBondContact O-CD 3.3Å; P25-N27 HydrophobicContact CB-CB 4.4Å; P25-N27 HydrophobicContact CG-CB 4.33Å; P25-N27 PolarHBondContact O-N 2.87Å; P25-V30 HydrophobicContact CG-CB 4.24Å; P25-V30 HydrophobicContact CG-CG1 4.08Å; P25-V30 HydrophobicContact CG-CG2 4.29Å; P25-E64 HydrophobicContact CG-CG 4.42Å; P25-L65 VanDerWaalsContact CD-O 3.23Å; P25-L65 WeakPolarHBondContact CD-O 3.05Å; P25-L65 WeakPolarHBondContact CG-O 3.42Å
26N89.7Confident91.8Very high144 Ų14447.2 Ų47.277%0.7725%0.249SC*.SBendtrans-70.752.4169.4-80-43.1000111.6R14R14-N26 PolarHBondContact NH1-OD1 2.91Å; R14-N26 PolarHBondContact NH2-OD1 3.5Å
27N92.3Very high92Very high74 Ų7445.1 Ų45.140%0.39624%0.239SC..  trans-117.5116.3177.6-177.5-46000108.8P25 V29 V30 M31P25-N27 HydrophobicContact CB-CB 4.4Å; P25-N27 HydrophobicContact CG-CB 4.33Å; P25-N27 PolarHBondContact O-N 2.87Å; N27-V29 PolarHBondContact O-N 3.22Å; N27-V29 VanDerWaalsContact O-N 3.17Å; N27-V29 WeakPolarHBondContact OD1-CB 3.44Å; N27-V29 PolarHBondContact OD1-N 3.35Å; N27-V30 HydrophobicContact CB-CB 4.22Å; N27-V30 HydrophobicContact CB-CG2 3.92Å; N27-V30 PolarHBondContact O-N 2.78Å; N27-V30 VanDerWaalsContact O-N 3.1Å; N27-V30 PolarHBondContact OD1-N 3.17Å; N27-M31 WeakPolarHBondContact O-CG 3.36Å; N27-M31 PolarHBondContact O-N 3.39Å
28A91Very high92Very high71 Ų7145.1 Ų45.159%0.58724%0.24SC*.Hα-helixtrans-55.6-35.5-175.700000113.3D32A28-D32 VanDerWaalsContact O-CB 3.24Å; A28-D32 WeakPolarHBondContact O-CB 3.49Å; A28-D32 PolarHBondContact O-N 2.9Å
29V93.3Very high92Very high75 Ų7545.6 Ų45.646%0.45524%0.243SC..Hα-helixtrans-70.5-40.8-179.4-1760000111.1N27 K33 Q67N27-V29 PolarHBondContact O-N 3.22Å; N27-V29 VanDerWaalsContact O-N 3.17Å; N27-V29 WeakPolarHBondContact OD1-CB 3.44Å; N27-V29 PolarHBondContact OD1-N 3.35Å; V29-K33 VanDerWaalsContact O-CB 3.3Å; V29-K33 WeakPolarHBondContact O-CB 3.24Å; V29-K33 PolarHBondContact O-N 3.16Å; V29-K33 VanDerWaalsContact O-N 3.09Å; V29-Q67 VanDerWaalsContact CG1-OE1 3.26Å
30V95.2Very high92.3Very high7 Ų751.1 Ų51.14%0.04227%0.268CS..Hα-helixtrans-70.1-42.7178.5-174.90000110.5L24 P25 N27 K33 A34 L65 L70L24-V30 HydrophobicContact CD1-CG1 3.78Å; P25-V30 HydrophobicContact CG-CB 4.24Å; P25-V30 HydrophobicContact CG-CG1 4.08Å; P25-V30 HydrophobicContact CG-CG2 4.29Å; N27-V30 HydrophobicContact CB-CB 4.22Å; N27-V30 HydrophobicContact CB-CG2 3.92Å; N27-V30 PolarHBondContact O-N 2.78Å; N27-V30 VanDerWaalsContact O-N 3.1Å; N27-V30 PolarHBondContact OD1-N 3.17Å; V30-K33 PolarHBondContact O-N 3.1Å; V30-A34 PolarHBondContact O-N 3.37Å; V30-L65 HydrophobicContact CG1-CB 4.01Å; V30-L70 HydrophobicContact CG1-CD1 3.79Å
31M94.8Very high92.4Very high40 Ų4052.7 Ų52.720%0.19727%0.274CS..Hα-helixtrans-62.2-49.8176.6-70.9-170.6-68.700112.2I10 R14 L24 N27 K33 A34 L35I10-M31 HydrophobicContact CD1-CB 3.71Å; I10-M31 HydrophobicContact CD1-CG 4.07Å; I10-M31 HydrophobicContact CG2-CG 4.49Å; I10-M31 HydrophobicContact CG2-SD 3.88Å; R14-M31 PolarHBondContact NH2-SD 3.26Å; L24-M31 HydrophobicContact CD1-CG 4.47Å; L24-M31 HydrophobicContact CD2-CG 4.15Å; L24-M31 HydrophobicContact CG-CG 4.21Å; N27-M31 WeakPolarHBondContact O-CG 3.36Å; N27-M31 PolarHBondContact O-N 3.39Å; M31-K33 PolarHBondContact O-N 2.99Å; M31-A34 PolarHBondContact O-N 3.06Å; M31-L35 PolarHBondContact O-N 3.31Å
32D93.3Very high92.4Very high69 Ų6960.2 Ų60.237%0.36931%0.305SS..Hα-helixtrans-58-40.5176.4176.157.5000111.1A28 L35 R36A28-D32 VanDerWaalsContact O-CB 3.24Å; A28-D32 WeakPolarHBondContact O-CB 3.49Å; A28-D32 PolarHBondContact O-N 2.9Å; D32-L35 PolarHBondContact O-N 3.09Å; D32-R36 WeakPolarHBondContact O-CB 3.47Å; D32-R36 VanDerWaalsContact O-CG 3.28Å; D32-R36 WeakPolarHBondContact O-CG 3.3Å; D32-R36 PolarHBondContact O-N 3.46Å; D32-R36 IonicContact OD1-NE 3.68Å; D32-R36 PolarHBondContact OD1-NE 2.82Å; D32-R36 IonicContact OD1-NH2 3.95Å; D32-R36 IonicContact OD2-CZ 3.26Å; D32-R36 IonicContact OD2-NE 3.86Å; D32-R36 PolarHBondContact OD2-NE 2.94Å; D32-R36 IonicContact OD2-NH2 2.88Å; D32-R36 PolarHBondContact OD2-NH2 2.78Å
33K95.2Very high92.2Very high29 Ų2961 Ų6113%0.12631%0.31CS..Hα-helixtrans-66-42.2177-169.6168.3-171169.10113.1V29 V30 M31 L35 R36 I37 Q67 L70 D71V29-K33 VanDerWaalsContact O-CB 3.3Å; V29-K33 WeakPolarHBondContact O-CB 3.24Å; V29-K33 PolarHBondContact O-N 3.16Å; V29-K33 VanDerWaalsContact O-N 3.09Å; V30-K33 PolarHBondContact O-N 3.1Å; M31-K33 PolarHBondContact O-N 2.99Å; K33-L35 VanDerWaalsContact C-N 3.34Å; K33-R36 PolarHBondContact O-N 3.27Å; K33-I37 HydrophobicContact CG-CD1 4.22Å; K33-I37 VanDerWaalsContact O-CG1 3.24Å; K33-I37 WeakPolarHBondContact O-CG1 2.95Å; K33-I37 PolarHBondContact O-N 2.83Å; K33-Q67 HydrophobicContact CD-CG 4.03Å; K33-Q67 VanDerWaalsContact NZ-CG 3.35Å; K33-Q67 PolarHBondContact NZ-O 2.51Å; K33-L70 HydrophobicContact CB-CD1 3.96Å; K33-L70 HydrophobicContact CD-CB 3.76Å; K33-L70 HydrophobicContact CD-CD1 4.03Å; K33-L70 HydrophobicContact CG-CB 4.14Å; K33-L70 HydrophobicContact CG-CD1 3.95Å; K33-D71 WeakPolarHBondContact CE-OD1 3.43Å; K33-D71 IonicContact NZ-OD1 3.35Å; K33-D71 PolarHBondContact NZ-OD1 3.45Å; K33-D71 IonicContact NZ-OD2 2.74Å; K33-D71 PolarHBondContact NZ-OD2 3.36Å
34A95.5Very high91.9Very high0 Ų059.8 Ų59.80%031%0.307CS..Hα-helixtrans-59.7-45.6175.100000111.2L24 V30 M31 R36 I37 C38 F48L24-A34 HydrophobicContact CD1-CB 4.29Å; V30-A34 PolarHBondContact O-N 3.37Å; M31-A34 PolarHBondContact O-N 3.06Å; A34-R36 PolarHBondContact O-N 3.43Å; A34-I37 WeakPolarHBondContact O-CB 3.21Å; A34-I37 PolarHBondContact O-N 2.97Å; A34-C38 PolarHBondContact O-N 2.85Å; A34-C38 PolarHBondContact O-SG 2.95Å; A34-F48 HydrophobicContact CB-CE1 4.26Å; A34-F48 HydrophobicContact CB-CE2 4.39Å; A34-F48 HydrophobicContact CB-CZ 3.82Å
35L94.1Very high91.6Very high13 Ų1359.6 Ų59.67%0.06831%0.306CS..Hα-helixtrans-62.3-43175.5-70.3170.8000112.5F6 Q9 I10 I13 M31 D32 K33 I37 C38 N39F6-L35 HydrophobicContact CB-CD1 4.18Å; F6-L35 HydrophobicContact CD1-CD1 3.8Å; F6-L35 HydrophobicContact CD1-CD2 4.45Å; F6-L35 HydrophobicContact CG-CD1 4.28Å; Q9-L35 HydrophobicContact CB-CD2 3.96Å; Q9-L35 HydrophobicContact CG-CD2 3.76Å; I10-L35 HydrophobicContact CD1-CD1 3.79Å; I10-L35 HydrophobicContact CD1-CD2 3.96Å; I10-L35 HydrophobicContact CD1-CG 3.59Å; I10-L35 HydrophobicContact CG1-CD1 3.75Å; I10-L35 HydrophobicContact CG1-CD2 4.03Å; I10-L35 HydrophobicContact CG1-CG 3.96Å; I13-L35 HydrophobicContact CD1-CD2 4.25Å; M31-L35 PolarHBondContact O-N 3.31Å; D32-L35 PolarHBondContact O-N 3.09Å; K33-L35 VanDerWaalsContact C-N 3.34Å; L35-I37 VanDerWaalsContact C-N 3.28Å; L35-I37 PolarHBondContact O-N 3.48Å; L35-C38 WeakPolarHBondContact O-CB 3.39Å; L35-C38 PolarHBondContact O-N 2.8Å; L35-N39 WeakPolarHBondContact O-CB 3.42Å; L35-N39 PolarHBondContact O-N 3.26Å; L35-N39 PolarHBondContact O-ND2 2.93Å
36R92.9Very high91.2Very high158 Ų15860.6 Ų60.660%0.59631%0.309SS*.Hα-helixtrans-60.1-39.3175.4-75.1178.9-165.7-152.310.7111.8D32 K33 A34 Q40D32-R36 WeakPolarHBondContact O-CB 3.47Å; D32-R36 VanDerWaalsContact O-CG 3.28Å; D32-R36 WeakPolarHBondContact O-CG 3.3Å; D32-R36 PolarHBondContact O-N 3.46Å; D32-R36 IonicContact OD1-NE 3.68Å; D32-R36 PolarHBondContact OD1-NE 2.82Å; D32-R36 IonicContact OD1-NH2 3.95Å; D32-R36 IonicContact OD2-CZ 3.26Å; D32-R36 IonicContact OD2-NE 3.86Å; D32-R36 PolarHBondContact OD2-NE 2.94Å; D32-R36 IonicContact OD2-NH2 2.88Å; D32-R36 PolarHBondContact OD2-NH2 2.78Å; K33-R36 PolarHBondContact O-N 3.27Å; A34-R36 PolarHBondContact O-N 3.43Å; R36-Q40 WeakPolarHBondContact O-CB 3.38Å; R36-Q40 PolarHBondContact O-N 2.86Å
37I93.7Very high91Very high3 Ų356.3 Ų56.32%0.01529%0.285CS..Hα-helixtrans-64.7-48.3175.4-66.4164000110K33 A34 L35 N39 Q40 Y41 F48 L70 F73 V74 L77K33-I37 HydrophobicContact CG-CD1 4.22Å; K33-I37 VanDerWaalsContact O-CG1 3.24Å; K33-I37 WeakPolarHBondContact O-CG1 2.95Å; K33-I37 PolarHBondContact O-N 2.83Å; A34-I37 WeakPolarHBondContact O-CB 3.21Å; A34-I37 PolarHBondContact O-N 2.97Å; L35-I37 VanDerWaalsContact C-N 3.28Å; L35-I37 PolarHBondContact O-N 3.48Å; I37-N39 VanDerWaalsContact C-N 3.32Å; I37-N39 PolarHBondContact O-N 2.75Å; I37-Q40 PolarHBondContact O-N 3.03Å; I37-Y41 HydrophobicContact CG2-CD2 3.97Å; I37-Y41 HydrophobicContact CG2-CE2 4.47Å; I37-Y41 WeakPolarHBondContact O-CD2 3.39Å; I37-Y41 PolarHBondContact O-N 2.66Å; I37-F48 HydrophobicContact CB-CD2 4.44Å; I37-F48 HydrophobicContact CB-CE2 4.09Å; I37-F48 HydrophobicContact CD1-CE2 4.37Å; I37-F48 HydrophobicContact CG2-CD2 3.98Å; I37-F48 HydrophobicContact CG2-CE2 3.87Å; I37-L70 HydrophobicContact CD1-CB 4.1Å; I37-L70 HydrophobicContact CD1-CD2 3.89Å; I37-L70 HydrophobicContact CD1-CG 4.43Å; I37-F73 HydrophobicContact CD1-CD1 4.3Å; I37-F73 HydrophobicContact CG2-CD1 4.45Å; I37-F73 HydrophobicContact CG2-CE1 4.01Å; I37-V74 HydrophobicContact CD1-CG2 3.55Å; I37-V74 HydrophobicContact CG1-CG2 3.54Å; I37-L77 HydrophobicContact CG2-CD1 3.94Å
38C92.2Very high91Very high1 Ų152.8 Ų52.81%0.00727%0.266CS..Hα-helixtrans-54.6-49.3176.9-64.30000111.4A34 L35 Q42 L43 F48A34-C38 PolarHBondContact O-N 2.85Å; A34-C38 PolarHBondContact O-SG 2.95Å; L35-C38 WeakPolarHBondContact O-CB 3.39Å; L35-C38 PolarHBondContact O-N 2.8Å; C38-Q42 CarbonylContact O-C 3.46Å; C38-Q42 VanDerWaalsContact O-CA 3.27Å; C38-Q42 WeakPolarHBondContact O-CA 3.16Å; C38-Q42 PolarHBondContact O-N 3.46Å; C38-L43 WeakPolarHBondContact CB-O 3.46Å; C38-L43 PolarHBondContact O-N 3.07Å; C38-F48 VanDerWaalsContact SG-CB 3.54Å; C38-F48 VanDerWaalsContact SG-CD2 3.58Å; C38-F48 VanDerWaalsContact SG-CG 3.52Å
39N89.3Confident91Very high94 Ų9449.4 Ų49.450%0.50324%0.238SC..Hα-helixtrans-67.6-42.8179.9-70.1-31.8000112.9L35 I37 Y41L35-N39 WeakPolarHBondContact O-CB 3.42Å; L35-N39 PolarHBondContact O-N 3.26Å; L35-N39 PolarHBondContact O-ND2 2.93Å; I37-N39 VanDerWaalsContact C-N 3.32Å; I37-N39 PolarHBondContact O-N 2.75Å; N39-Y41 VanDerWaalsContact C-N 3.33Å; N39-Y41 PolarHBondContact O-N 2.9Å
40Q90.9Very high90.5Very high124 Ų12446.3 Ų46.358%0.57922%0.219SC*.Hα-helixtrans-66.4-35.7-178.2179.9174.24.600112.5R36 I37R36-Q40 WeakPolarHBondContact O-CB 3.38Å; R36-Q40 PolarHBondContact O-N 2.86Å; I37-Q40 PolarHBondContact O-N 3.03Å
41Y88.3Confident90.1Very high44 Ų4447.4 Ų47.417%0.17322%0.224CC..Hα-helixtrans-105.56.2-177.3-65.8-86.3000113.4I37 N39 L43 L77 K78 T81I37-Y41 HydrophobicContact CG2-CD2 3.97Å; I37-Y41 HydrophobicContact CG2-CE2 4.47Å; I37-Y41 WeakPolarHBondContact O-CD2 3.39Å; I37-Y41 PolarHBondContact O-N 2.66Å; N39-Y41 VanDerWaalsContact C-N 3.33Å; N39-Y41 PolarHBondContact O-N 2.9Å; Y41-L43 VanDerWaalsContact C-N 3.28Å; Y41-L43 PolarHBondContact O-N 2.99Å; Y41-L77 HydrophobicContact CD1-CB 4.27Å; Y41-L77 HydrophobicContact CD1-CD1 4.38Å; Y41-L77 HydrophobicContact CD2-CD1 3.91Å; Y41-L77 HydrophobicContact CE1-CB 3.74Å; Y41-L77 HydrophobicContact CE1-CD1 4.43Å; Y41-L77 HydrophobicContact CE2-CB 4.37Å; Y41-L77 HydrophobicContact CE2-CD1 3.96Å; Y41-L77 HydrophobicContact CG-CD1 4.13Å; Y41-K78 VanDerWaalsContact OH-CG 3.31Å; Y41-K78 WeakPolarHBondContact OH-CG 3.39Å; Y41-T81 HydrophobicContact CE1-CG2 4.39Å
42Q86.9Confident90Very high174 Ų17445.5 Ų45.581%0.81321%0.214SC*.THydrogen-bonded Turntrans53.941.3-178.8-59.6-179.8-19.100113.3C38C38-Q42 CarbonylContact O-C 3.46Å; C38-Q42 VanDerWaalsContact O-CA 3.27Å; C38-Q42 WeakPolarHBondContact O-CA 3.16Å; C38-Q42 PolarHBondContact O-N 3.46Å
43L87.3Confident89.8Confident30 Ų3042.6 Ų42.616%0.15720%0.199CC..  trans-94.3133178.2-52.9174.4000109.6C38 Y41 E47 F48C38-L43 WeakPolarHBondContact CB-O 3.46Å; C38-L43 PolarHBondContact O-N 3.07Å; Y41-L43 VanDerWaalsContact C-N 3.28Å; Y41-L43 PolarHBondContact O-N 2.99Å; L43-E47 HydrophobicContact CB-CB 4.09Å; L43-E47 HydrophobicContact CD2-CB 4.15Å; L43-F48 HydrophobicContact CB-CB 4.24Å; L43-F48 HydrophobicContact CD1-CB 4.5Å
44N87.9Confident89.2Confident71 Ų7141.4 Ų41.438%0.3820%0.195SC..  trans-75.3176.3162.971.229000110.8E46 E47 F48N44-E46 PolarHBondContact O-N 2.98Å; N44-E46 WeakPolarHBondContact OD1-CB 3.45Å; N44-E46 PolarHBondContact OD1-N 3.18Å; N44-E47 PolarHBondContact N-OE2 2.83Å; N44-E47 PolarHBondContact O-N 2.98Å; N44-E47 WeakPolarHBondContact OD1-CB 3.5Å; N44-E47 VanDerWaalsContact OD1-CG 3.26Å; N44-E47 WeakPolarHBondContact OD1-CG 3.28Å; N44-E47 PolarHBondContact OD1-N 3.24Å; N44-F48 WeakPolarHBondContact O-CB 3.37Å; N44-F48 PolarHBondContact O-N 2.62Å
45A87.4Confident88.9Confident5 Ų541.6 Ų41.64%0.04120%0.195CC..Hα-helixtrans-59.2-44.9-177.400000113.3E12 I13 E16 F48 A49E12-A45 HydrophobicContact CB-CB 3.52Å; I13-A45 HydrophobicContact CG1-CB 3.78Å; E16-A45 HydrophobicContact CG-CB 4.46Å; A45-F48 PolarHBondContact O-N 2.62Å; A45-A49 WeakPolarHBondContact O-CB 3.22Å; A45-A49 PolarHBondContact O-N 3Å
46E84.2Confident88.6Confident46 Ų4641 Ų4122%0.21519%0.192CC..Hα-helixtrans-60.4-46.2177.1-179.3-144.1130.700111.3N44 S50 D504 K525N44-E46 PolarHBondContact O-N 2.98Å; N44-E46 WeakPolarHBondContact OD1-CB 3.45Å; N44-E46 PolarHBondContact OD1-N 3.18Å; E46-S50 WeakPolarHBondContact O-CB 3.32Å; E46-S50 PolarHBondContact O-N 2.83Å; E46-S50 PolarHBondContact O-OG 2.62Å; E46-D504 VanDerWaalsContact CG-O 3.29Å; E46-D504 WeakPolarHBondContact CG-O 3.44Å; E46-K525 IonicContact OE1-NZ 2.61Å; E46-K525 PolarHBondContact OE1-NZ 2.72Å; E46-K525 IonicContact OE2-NZ 2.74Å
47E85.4Confident88.2Confident55 Ų5538.7 Ų38.726%0.25718%0.184SC..Hα-helixtrans-68.2-39.9179.9-71.2170.6157.600111.8L43 N44 S50 E51 K525L43-E47 HydrophobicContact CB-CB 4.09Å; L43-E47 HydrophobicContact CD2-CB 4.15Å; N44-E47 PolarHBondContact N-OE2 2.83Å; N44-E47 PolarHBondContact O-N 2.98Å; N44-E47 WeakPolarHBondContact OD1-CB 3.5Å; N44-E47 VanDerWaalsContact OD1-CG 3.26Å; N44-E47 WeakPolarHBondContact OD1-CG 3.28Å; N44-E47 PolarHBondContact OD1-N 3.24Å; E47-S50 WeakPolarHBondContact O-CB 3.4Å; E47-S50 PolarHBondContact O-N 3.41Å; E47-E51 WeakPolarHBondContact O-CG 3.49Å; E47-E51 PolarHBondContact O-N 3.15Å; E47-K525 IonicContact OE1-NZ 3.07Å
48F92.1Very high87.5Confident0 Ų041.4 Ų41.40%020%0.203CC..Hα-helixtrans-64.3-52.2175171.1-92.7000111.4I13 L17 A34 I37 C38 L43 N44 A45 S50 E51 Y52 L65 L70 F73I13-F48 HydrophobicContact CG1-CD1 4.28Å; I13-F48 HydrophobicContact CG2-CD1 3.66Å; I13-F48 HydrophobicContact CG2-CE1 3.67Å; L17-F48 HydrophobicContact CD1-CE1 4.34Å; A34-F48 HydrophobicContact CB-CE1 4.26Å; A34-F48 HydrophobicContact CB-CE2 4.39Å; A34-F48 HydrophobicContact CB-CZ 3.82Å; I37-F48 HydrophobicContact CB-CD2 4.44Å; I37-F48 HydrophobicContact CB-CE2 4.09Å; I37-F48 HydrophobicContact CD1-CE2 4.37Å; I37-F48 HydrophobicContact CG2-CD2 3.98Å; I37-F48 HydrophobicContact CG2-CE2 3.87Å; C38-F48 VanDerWaalsContact SG-CB 3.54Å; C38-F48 VanDerWaalsContact SG-CD2 3.58Å; C38-F48 VanDerWaalsContact SG-CG 3.52Å; L43-F48 HydrophobicContact CB-CB 4.24Å; L43-F48 HydrophobicContact CD1-CB 4.5Å; N44-F48 WeakPolarHBondContact O-CB 3.37Å; N44-F48 PolarHBondContact O-N 2.62Å; A45-F48 PolarHBondContact O-N 2.62Å; F48-S50 PolarHBondContact O-N 3.07Å; F48-E51 PolarHBondContact O-N 3.15Å; F48-Y52 VanDerWaalsContact O-CB 3.3Å; F48-Y52 WeakPolarHBondContact O-CB 3.27Å; F48-Y52 PolarHBondContact O-N 2.93Å; F48-L65 HydrophobicContact CE1-CD2 4.21Å; F48-L65 HydrophobicContact CZ-CD2 4.26Å; F48-L70 HydrophobicContact CE2-CD2 4.5Å; F48-L70 HydrophobicContact CZ-CD2 4.05Å; F48-F73 HydrophobicContact CD2-CE1 4.32Å; F48-F73 AromaticContact CE2-CE1 3.99Å; F48-F73 HydrophobicContact CE2-CE1 3.99Å
49A90.6Very high87.1Confident0 Ų047.3 Ų47.30%023%0.228CC..Hα-helixtrans-57.5-42.5177.500000109.7E16 L17 A45 Y52 I53E16-A49 HydrophobicContact CB-CB 3.43Å; E16-A49 VanDerWaalsContact CB-CB 3.43Å; L17-A49 HydrophobicContact CD2-CB 3.99Å; L17-A49 HydrophobicContact CG-CB 4.09Å; A45-A49 WeakPolarHBondContact O-CB 3.22Å; A45-A49 PolarHBondContact O-N 3Å; A49-Y52 PolarHBondContact O-N 2.97Å; A49-I53 HydrophobicContact CB-CD1 4.27Å; A49-I53 VanDerWaalsContact O-CB 3.27Å; A49-I53 WeakPolarHBondContact O-CB 3.18Å; A49-I53 VanDerWaalsContact O-CD1 3.31Å; A49-I53 WeakPolarHBondContact O-CD1 3.5Å; A49-I53 WeakPolarHBondContact O-CG1 3.44Å; A49-I53 PolarHBondContact O-N 2.78Å
50S83.3Confident86.9Confident9 Ų951.6 Ų51.66%0.06325%0.245CC..Hα-helixtrans-56.6-58.2176.9-73.40000113.4E46 E47 F48 Y52 A54 Q506E46-S50 WeakPolarHBondContact O-CB 3.32Å; E46-S50 PolarHBondContact O-N 2.83Å; E46-S50 PolarHBondContact O-OG 2.62Å; E47-S50 WeakPolarHBondContact O-CB 3.4Å; E47-S50 PolarHBondContact O-N 3.41Å; F48-S50 PolarHBondContact O-N 3.07Å; S50-Y52 VanDerWaalsContact C-N 3.28Å; S50-Y52 PolarHBondContact O-N 3.1Å; S50-A54 VanDerWaalsContact O-CB 3.29Å; S50-A54 WeakPolarHBondContact O-CB 3.42Å; S50-A54 PolarHBondContact O-N 3.16Å; S50-A54 VanDerWaalsContact O-N 3.14Å; S50-Q506 VanDerWaalsContact C-OE1 3.32Å; S50-Q506 VanDerWaalsContact CA-OE1 3.31Å; S50-Q506 PolarHBondContact O-OE1 3.46Å; S50-Q506 WeakPolarHBondContact OG-CA 3.27Å; S50-Q506 VanDerWaalsContact OG-CB 3.3Å; S50-Q506 WeakPolarHBondContact OG-CB 3.48Å; S50-Q506 PolarHBondContact OG-NE2 3.4Å
51E87.2Confident86.7Confident30 Ų3047.7 Ų47.714%0.1423%0.228CC..Hα-helixtrans-63.6-36.6-178.6-68.8-68.1148.200112.1E47 F48 F55 F73 R555E47-E51 WeakPolarHBondContact O-CG 3.49Å; E47-E51 PolarHBondContact O-N 3.15Å; F48-E51 PolarHBondContact O-N 3.15Å; E51-F55 VanDerWaalsContact O-CB 3.29Å; E51-F55 WeakPolarHBondContact O-CB 3.39Å; E51-F55 PolarHBondContact O-N 2.83Å; E51-F73 HydrophobicContact CB-CE2 3.99Å; E51-F73 HydrophobicContact CB-CZ 3.66Å; E51-F73 WeakPolarHBondContact O-CE2 3.07Å; E51-R555 IonicContact OE1-CZ 2.93Å; E51-R555 IonicContact OE1-NH1 3.6Å; E51-R555 PolarHBondContact OE1-NH1 2.92Å; E51-R555 IonicContact OE1-NH2 3.92Å; E51-R555 PolarHBondContact OE1-NH2 2.95Å; E51-R555 IonicContact OE2-NH1 2.73Å
52Y92.5Very high86.7Confident0 Ų049 Ų490%024%0.242CC..Hα-helixtrans-71.6-45.1-179.1-174.8-93000112.9L17 Y22 F48 A49 S50 F55 A56 L65 R69 L70 F73L17-Y52 HydrophobicContact CD2-CD1 4.02Å; Y22-Y52 HydrophobicContact CD1-CE1 4.28Å; F48-Y52 VanDerWaalsContact O-CB 3.3Å; F48-Y52 WeakPolarHBondContact O-CB 3.27Å; F48-Y52 PolarHBondContact O-N 2.93Å; A49-Y52 PolarHBondContact O-N 2.97Å; S50-Y52 VanDerWaalsContact C-N 3.28Å; S50-Y52 PolarHBondContact O-N 3.1Å; Y52-F55 HydrophobicContact CD2-CD1 4.18Å; Y52-F55 HydrophobicContact CE2-CD1 4.11Å; Y52-F55 HydrophobicContact CE2-CE1 4.26Å; Y52-F55 WeakPolarHBondContact O-CB 3.22Å; Y52-F55 PolarHBondContact O-N 3.4Å; Y52-A56 HydrophobicContact CE1-CB 4.14Å; Y52-A56 WeakPolarHBondContact O-CB 3.19Å; Y52-A56 PolarHBondContact O-N 2.91Å; Y52-L65 HydrophobicContact CD1-CD1 3.85Å; Y52-L65 HydrophobicContact CD1-CD2 4.38Å; Y52-L65 HydrophobicContact CD1-CG 4.11Å; Y52-L65 HydrophobicContact CE1-CD1 3.26Å; Y52-L65 HydrophobicContact CE1-CD2 4.21Å; Y52-L65 HydrophobicContact CE1-CG 3.48Å; Y52-L65 VanDerWaalsContact CE1-CG 3.48Å; Y52-L65 HydrophobicContact CE2-CG 4.28Å; Y52-R69 WeakPolarHBondContact OH-CB 3.37Å; Y52-L70 HydrophobicContact CD2-CD2 3.98Å; Y52-L70 HydrophobicContact CE2-CD2 3.73Å; Y52-F73 HydrophobicContact CD2-CB 4.24Å; Y52-F73 AromaticContact CD2-CD1 3.81Å; Y52-F73 HydrophobicContact CD2-CD1 3.81Å; Y52-F73 HydrophobicContact CD2-CD2 4.31Å; Y52-F73 HydrophobicContact CD2-CE1 4.18Å; Y52-F73 AromaticContact CD2-CG 3.87Å; Y52-F73 HydrophobicContact CD2-CG 3.87Å; Y52-F73 HydrophobicContact CE2-CB 4.33Å; Y52-F73 HydrophobicContact CE2-CG 4.44Å
53I89.7Confident86.9Confident9 Ų944.1 Ų44.15%0.04622%0.222CC..Hα-helixtrans-61.3-48.3178.4-71162.8000109.5L17 F20 Y22 A49 F55 A56 Y57 Q506L17-I53 HydrophobicContact CD2-CD1 4.26Å; L17-I53 HydrophobicContact CD2-CG1 4.02Å; F20-I53 HydrophobicContact CB-CD1 3.78Å; F20-I53 HydrophobicContact CB-CG1 4.45Å; F20-I53 HydrophobicContact CB-CG2 4.36Å; F20-I53 HydrophobicContact CD2-CD1 3.54Å; F20-I53 HydrophobicContact CE2-CD1 4.39Å; F20-I53 HydrophobicContact CG-CD1 3.81Å; Y22-I53 HydrophobicContact CD2-CB 4.42Å; Y22-I53 HydrophobicContact CD2-CD1 4.36Å; Y22-I53 HydrophobicContact CD2-CG1 3.68Å; Y22-I53 HydrophobicContact CD2-CG2 4.19Å; Y22-I53 HydrophobicContact CE2-CB 4.27Å; Y22-I53 HydrophobicContact CE2-CG1 4.02Å; Y22-I53 HydrophobicContact CE2-CG2 3.71Å; Y22-I53 HydrophobicContact CG-CG1 4.06Å; A49-I53 HydrophobicContact CB-CD1 4.27Å; A49-I53 VanDerWaalsContact O-CB 3.27Å; A49-I53 WeakPolarHBondContact O-CB 3.18Å; A49-I53 VanDerWaalsContact O-CD1 3.31Å; A49-I53 WeakPolarHBondContact O-CD1 3.5Å; A49-I53 WeakPolarHBondContact O-CG1 3.44Å; A49-I53 PolarHBondContact O-N 2.78Å; I53-F55 VanDerWaalsContact C-N 3.31Å; I53-F55 PolarHBondContact O-N 3.38Å; I53-A56 PolarHBondContact O-N 3.08Å; I53-Y57 WeakPolarHBondContact O-CB 3.45Å; I53-Y57 PolarHBondContact O-N 3.05Å; I53-Q506 HydrophobicContact CB-CG 4.43Å; I53-Q506 HydrophobicContact CD1-CG 4.16Å; I53-Q506 HydrophobicContact CG2-CG 4.4Å
54A82.5Confident87.2Confident4 Ų447.9 Ų47.93%0.03324%0.239CC..Hα-helixtrans-55.6-46.2175.900000112.1S50 C58 L138 F507S50-A54 VanDerWaalsContact O-CB 3.29Å; S50-A54 WeakPolarHBondContact O-CB 3.42Å; S50-A54 PolarHBondContact O-N 3.16Å; S50-A54 VanDerWaalsContact O-N 3.14Å; A54-C58 WeakPolarHBondContact O-CB 3.31Å; A54-C58 PolarHBondContact O-N 3.35Å; A54-C58 PolarHBondContact O-SG 2.83Å; A54-L138 WeakPolarHBondContact CB-O 3.36Å; A54-F507 HydrophobicContact CB-CE2 3.66Å; A54-F507 HydrophobicContact CB-CZ 3.74Å
55F87.9Confident87.6Confident4 Ų444.6 Ų44.62%0.01822%0.221CC..Hα-helixtrans-59.6-51.2174.4159.1-106000112.7E51 Y52 I53 C58 K59 L61 I72 F73E51-F55 VanDerWaalsContact O-CB 3.29Å; E51-F55 WeakPolarHBondContact O-CB 3.39Å; E51-F55 PolarHBondContact O-N 2.83Å; Y52-F55 HydrophobicContact CD2-CD1 4.18Å; Y52-F55 HydrophobicContact CE2-CD1 4.11Å; Y52-F55 HydrophobicContact CE2-CE1 4.26Å; Y52-F55 WeakPolarHBondContact O-CB 3.22Å; Y52-F55 PolarHBondContact O-N 3.4Å; I53-F55 VanDerWaalsContact C-N 3.31Å; I53-F55 PolarHBondContact O-N 3.38Å; F55-C58 PolarHBondContact O-N 2.94Å; F55-K59 HydrophobicContact CD2-CG 4.02Å; F55-K59 HydrophobicContact CE2-CG 3.81Å; F55-K59 WeakPolarHBondContact O-CB 3.49Å; F55-K59 VanDerWaalsContact O-CG 3.29Å; F55-K59 WeakPolarHBondContact O-CG 3.34Å; F55-K59 PolarHBondContact O-N 2.76Å; F55-K59 VanDerWaalsContact O-N 3.14Å; F55-L61 HydrophobicContact CD1-CD1 4.38Å; F55-L61 HydrophobicContact CE1-CD1 3.51Å; F55-L61 HydrophobicContact CE2-CD1 4.48Å; F55-L61 HydrophobicContact CZ-CD1 3.58Å; F55-I72 HydrophobicContact CE2-CG2 3.85Å; F55-I72 HydrophobicContact CZ-CB 3.92Å; F55-I72 HydrophobicContact CZ-CG2 3.57Å; F55-F73 HydrophobicContact CB-CD2 3.77Å; F55-F73 HydrophobicContact CB-CE2 4.04Å; F55-F73 HydrophobicContact CD1-CB 3.85Å; F55-F73 AromaticContact CD1-CD2 3.72Å; F55-F73 HydrophobicContact CD1-CD2 3.72Å; F55-F73 HydrophobicContact CD1-CG 4.1Å; F55-F73 HydrophobicContact CD2-CD2 4.34Å; F55-F73 HydrophobicContact CE1-CB 3.72Å; F55-F73 HydrophobicContact CE1-CD2 4.43Å; F55-F73 HydrophobicContact CE1-CG 4.47Å; F55-F73 HydrophobicContact CG-CB 4.43Å; F55-F73 AromaticContact CG-CD2 3.66Å; F55-F73 HydrophobicContact CG-CD2 3.66Å; F55-F73 HydrophobicContact CG-CE2 4.42Å; F55-F73 HydrophobicContact CG-CG 4.45Å; F55-F73 HydrophobicContact CZ-CB 4.2Å
56A89.3Confident87.9Confident0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-67.4-41.2-175.300000111.5Y22 Y52 I53 K59 E60 L61Y22-A56 HydrophobicContact CD1-CB 4.38Å; Y22-A56 HydrophobicContact CE1-CB 3.49Å; Y22-A56 VanDerWaalsContact CE1-CB 3.49Å; Y52-A56 HydrophobicContact CE1-CB 4.14Å; Y52-A56 WeakPolarHBondContact O-CB 3.19Å; Y52-A56 PolarHBondContact O-N 2.91Å; I53-A56 PolarHBondContact O-N 3.08Å; A56-K59 CarbonylContact O-C 3.57Å; A56-K59 PolarHBondContact O-N 3.5Å; A56-E60 PolarHBondContact O-N 2.83Å; A56-L61 HydrophobicContact CB-CB 4.22Å; A56-L61 PolarHBondContact O-N 3.25Å
57Y83.4Confident88.4Confident109 Ų10948.1 Ų48.143%0.42724%0.24SC..Hα-helixtrans-60.3-51.8174.9-176.7-94.1000111.5Y22 I53 K59 E60 L139 R140Y22-Y57 PolarHBondContact OH-N 2.72Å; I53-Y57 WeakPolarHBondContact O-CB 3.45Å; I53-Y57 PolarHBondContact O-N 3.05Å; Y57-K59 PolarHBondContact O-N 2.93Å; Y57-K59 VanDerWaalsContact O-N 3.14Å; Y57-E60 PolarHBondContact O-N 3.03Å; Y57-E60 VanDerWaalsContact O-N 3.1Å; Y57-L139 HydrophobicContact CD1-CD1 4.49Å; Y57-L139 HydrophobicContact CD1-CG 4.36Å; Y57-L139 HydrophobicContact CE1-CG 4.5Å; Y57-R140 WeakPolarHBondContact CE1-O 3.31Å
58C78.6Confident88.8Confident61 Ų6151 Ų5141%0.41226%0.257SS..Hα-helixtrans-66.8-16.1-179.8-67.50000114.1A54 F55 L138A54-C58 WeakPolarHBondContact O-CB 3.31Å; A54-C58 PolarHBondContact O-N 3.35Å; A54-C58 PolarHBondContact O-SG 2.83Å; F55-C58 PolarHBondContact O-N 2.94Å; C58-L138 PolarHBondContact SG-O 3.32Å
59K85.1Confident89Confident124 Ų12453.7 Ų53.754%0.53927%0.267SS..THydrogen-bonded Turntrans-106.65.5178.1-66.7-61.7-176.2-169.50112.9F55 A56 Y57 L61F55-K59 HydrophobicContact CD2-CG 4.02Å; F55-K59 HydrophobicContact CE2-CG 3.81Å; F55-K59 WeakPolarHBondContact O-CB 3.49Å; F55-K59 VanDerWaalsContact O-CG 3.29Å; F55-K59 WeakPolarHBondContact O-CG 3.34Å; F55-K59 PolarHBondContact O-N 2.76Å; F55-K59 VanDerWaalsContact O-N 3.14Å; A56-K59 CarbonylContact O-C 3.57Å; A56-K59 PolarHBondContact O-N 3.5Å; Y57-K59 PolarHBondContact O-N 2.93Å; Y57-K59 VanDerWaalsContact O-N 3.14Å; K59-L61 HydrophobicContact CB-CD1 4Å; K59-L61 HydrophobicContact CB-CD2 4.39Å; K59-L61 HydrophobicContact CB-CG 3.72Å; K59-L61 PolarHBondContact O-N 2.95Å
60E83.5Confident89.2Confident184 Ų18453.7 Ų53.786%0.8627%0.267SS*.THydrogen-bonded Turntrans50.738.6-178.2-59.4179.117300112.3A56 Y57A56-E60 PolarHBondContact O-N 2.83Å; Y57-E60 PolarHBondContact O-N 3.03Å; Y57-E60 VanDerWaalsContact O-N 3.1Å
61L88.4Confident89.7Confident42 Ų4256 Ų5622%0.2228%0.279CS..  trans-82.6150.4-179.4-63.1178.2000110.8F55 A56 K59 R69F55-L61 HydrophobicContact CD1-CD1 4.38Å; F55-L61 HydrophobicContact CE1-CD1 3.51Å; F55-L61 HydrophobicContact CE2-CD1 4.48Å; F55-L61 HydrophobicContact CZ-CD1 3.58Å; A56-L61 HydrophobicContact CB-CB 4.22Å; A56-L61 PolarHBondContact O-N 3.25Å; K59-L61 HydrophobicContact CB-CD1 4Å; K59-L61 HydrophobicContact CB-CD2 4.39Å; K59-L61 HydrophobicContact CB-CG 3.72Å; K59-L61 PolarHBondContact O-N 2.95Å; L61-R69 HydrophobicContact CD1-CG 4.43Å
62P88.1Confident90Very high71 Ų7158.1 Ų58.146%0.46129%0.29SS..  trans-60.2150.2174-24.835.8000112.5E64 R69P62-E64 PolarHBondContact O-N 3.32Å; P62-E64 VanDerWaalsContact O-N 3.11Å; P62-R69 VanDerWaalsContact CG-NH2 3.33Å
63N90.2Very high90Very high73 Ų7358.2 Ų58.239%0.3929%0.291SS..SBendtrans-73.4-2.5-171.2-65-1.4000115.1G21 Y22 H23G21-N63 VanDerWaalsContact O-CB 3.3Å; G21-N63 WeakPolarHBondContact O-CB 3.42Å; Y22-N63 CarbonylContact C-O 3.47Å; Y22-N63 WeakPolarHBondContact CA-O 3.35Å; Y22-N63 HydrophobicContact CD1-CB 3.97Å; Y22-N63 WeakPolarHBondContact CD1-O 3.32Å; Y22-N63 HydrophobicContact CE1-CB 4.17Å; Y22-N63 HydrophobicContact CG-CB 4.3Å; H23-N63 PolarHBondContact N-O 3.32Å
64E93.5Very high90.2Very high109 Ų10958.6 Ų58.651%0.50929%0.294SS..BIsolated β-bridgetrans-91.4135.1175.2-168.9176.2-168.400111P25 P62 R69P25-E64 HydrophobicContact CG-CG 4.42Å; P62-E64 PolarHBondContact O-N 3.32Å; P62-E64 VanDerWaalsContact O-N 3.11Å; E64-R69 PolarHBondContact O-NH1 2.78Å
65L96.2Very high90.5Very high2 Ų266 Ų661%0.0132%0.321CS..  trans-74.8133.8175.2-83.165.5000109.6L17 H23 L24 P25 V30 F48 Y52 L70L17-L65 HydrophobicContact CD1-CD1 3.88Å; L17-L65 HydrophobicContact CD1-CD2 3.63Å; L17-L65 HydrophobicContact CD1-CG 4.44Å; L17-L65 HydrophobicContact CD2-CD1 4.25Å; H23-L65 WeakPolarHBondContact O-CD1 3.17Å; H23-L65 PolarHBondContact O-N 2.89Å; L24-L65 HydrophobicContact CB-CD2 4.41Å; L24-L65 HydrophobicContact CD1-CB 4.18Å; L24-L65 HydrophobicContact CD1-CD2 3.73Å; P25-L65 VanDerWaalsContact CD-O 3.23Å; P25-L65 WeakPolarHBondContact CD-O 3.05Å; P25-L65 WeakPolarHBondContact CG-O 3.42Å; V30-L65 HydrophobicContact CG1-CB 4.01Å; F48-L65 HydrophobicContact CE1-CD2 4.21Å; F48-L65 HydrophobicContact CZ-CD2 4.26Å; Y52-L65 HydrophobicContact CD1-CD1 3.85Å; Y52-L65 HydrophobicContact CD1-CD2 4.38Å; Y52-L65 HydrophobicContact CD1-CG 4.11Å; Y52-L65 HydrophobicContact CE1-CD1 3.26Å; Y52-L65 HydrophobicContact CE1-CD2 4.21Å; Y52-L65 HydrophobicContact CE1-CG 3.48Å; Y52-L65 VanDerWaalsContact CE1-CG 3.48Å; Y52-L65 HydrophobicContact CE2-CG 4.28Å; L65-L70 HydrophobicContact CD2-CD2 4.27Å
66S95.3Very high90.4Very high31 Ų3169.9 Ų69.922%0.21734%0.339CS..  trans-130.4161.7171.378.40000110.8D68 R69 L70S66-D68 VanDerWaalsContact C-N 3.27Å; S66-D68 PolarHBondContact O-N 2.82Å; S66-R69 PolarHBondContact O-N 2.87Å; S66-R69 WeakPolarHBondContact OG-CG 3.25Å; S66-R69 PolarHBondContact OG-N 3.24Å; S66-L70 WeakPolarHBondContact O-CG 3.5Å; S66-L70 PolarHBondContact O-N 3.35Å
67Q94.5Very high90.2Very high94 Ų9470.8 Ų70.844%0.43934%0.343SS..Hα-helixtrans-56.5-42.9178.5-177.3176.1-18.700112.1V29 K33 L70 D71V29-Q67 VanDerWaalsContact CG1-OE1 3.26Å; K33-Q67 HydrophobicContact CD-CG 4.03Å; K33-Q67 VanDerWaalsContact NZ-CG 3.35Å; K33-Q67 PolarHBondContact NZ-O 2.51Å; Q67-L70 PolarHBondContact O-N 3.37Å; Q67-D71 PolarHBondContact O-N 3.2Å
68D93.9Very high90.3Very high116 Ų11671 Ų7162%0.6235%0.346SS*.Hα-helixtrans-65.1-42.8179.8-61.6-32.6000111.8S66 L70 D71 I72S66-D68 VanDerWaalsContact C-N 3.27Å; S66-D68 PolarHBondContact O-N 2.82Å; D68-L70 VanDerWaalsContact C-N 3.33Å; D68-L70 PolarHBondContact O-N 2.85Å; D68-D71 WeakPolarHBondContact O-CB 3.18Å; D68-D71 PolarHBondContact O-N 2.92Å; D68-D71 VanDerWaalsContact O-N 3.13Å; D68-I72 WeakPolarHBondContact O-CG1 3.42Å; D68-I72 PolarHBondContact O-N 3.11Å
69R95Very high90.3Very high56 Ų5675.9 Ų75.921%0.21136%0.361CS..Hα-helixtrans-64.4-40.6177.5-67.8171.8-171.2144.98.7110.9Y52 L61 P62 E64 S66 D71 I72 F73Y52-R69 WeakPolarHBondContact OH-CB 3.37Å; L61-R69 HydrophobicContact CD1-CG 4.43Å; P62-R69 VanDerWaalsContact CG-NH2 3.33Å; E64-R69 PolarHBondContact O-NH1 2.78Å; S66-R69 PolarHBondContact O-N 2.87Å; S66-R69 WeakPolarHBondContact OG-CG 3.25Å; S66-R69 PolarHBondContact OG-N 3.24Å; R69-D71 VanDerWaalsContact C-N 3.31Å; R69-D71 PolarHBondContact O-N 3.39Å; R69-I72 PolarHBondContact O-N 3.31Å; R69-F73 WeakPolarHBondContact O-CB 3.3Å; R69-F73 PolarHBondContact O-N 2.72Å
70L95.8Very high89.6Confident0 Ų072.9 Ų72.90%036%0.36CS..Hα-helixtrans-65.1-31.9173.9-69.2175.1000112.3V30 K33 I37 F48 Y52 L65 S66 Q67 D68 F73 V74V30-L70 HydrophobicContact CG1-CD1 3.79Å; K33-L70 HydrophobicContact CB-CD1 3.96Å; K33-L70 HydrophobicContact CD-CB 3.76Å; K33-L70 HydrophobicContact CD-CD1 4.03Å; K33-L70 HydrophobicContact CG-CB 4.14Å; K33-L70 HydrophobicContact CG-CD1 3.95Å; I37-L70 HydrophobicContact CD1-CB 4.1Å; I37-L70 HydrophobicContact CD1-CD2 3.89Å; I37-L70 HydrophobicContact CD1-CG 4.43Å; F48-L70 HydrophobicContact CE2-CD2 4.5Å; F48-L70 HydrophobicContact CZ-CD2 4.05Å; Y52-L70 HydrophobicContact CD2-CD2 3.98Å; Y52-L70 HydrophobicContact CE2-CD2 3.73Å; L65-L70 HydrophobicContact CD2-CD2 4.27Å; S66-L70 WeakPolarHBondContact O-CG 3.5Å; S66-L70 PolarHBondContact O-N 3.35Å; Q67-L70 PolarHBondContact O-N 3.37Å; D68-L70 VanDerWaalsContact C-N 3.33Å; D68-L70 PolarHBondContact O-N 2.85Å; L70-F73 PolarHBondContact O-N 2.7Å; L70-V74 WeakPolarHBondContact O-CB 3.23Å; L70-V74 VanDerWaalsContact O-CG2 3.27Å; L70-V74 WeakPolarHBondContact O-CG2 3.39Å; L70-V74 PolarHBondContact O-N 2.96Å
71D94.1Very high88.9Confident56 Ų5667 Ų6730%0.29934%0.336SS..Hα-helixtrans-66-43.8172.3-82-40.3000112.5K33 Q67 D68 R69 F73 V74 R75K33-D71 WeakPolarHBondContact CE-OD1 3.43Å; K33-D71 IonicContact NZ-OD1 3.35Å; K33-D71 PolarHBondContact NZ-OD1 3.45Å; K33-D71 IonicContact NZ-OD2 2.74Å; K33-D71 PolarHBondContact NZ-OD2 3.36Å; Q67-D71 PolarHBondContact O-N 3.2Å; D68-D71 WeakPolarHBondContact O-CB 3.18Å; D68-D71 PolarHBondContact O-N 2.92Å; D68-D71 VanDerWaalsContact O-N 3.13Å; R69-D71 VanDerWaalsContact C-N 3.31Å; R69-D71 PolarHBondContact O-N 3.39Å; D71-F73 VanDerWaalsContact C-N 3.31Å; D71-V74 PolarHBondContact O-N 2.91Å; D71-R75 WeakPolarHBondContact O-CG 3.33Å; D71-R75 PolarHBondContact O-N 2.78Å
72I92.5Very high87.3Confident75 Ų7567.8 Ų67.839%0.38535%0.349SS..Hα-helixtrans-62.7-43.7176.5-59.2165.5000109.6F55 D68 R69 V74 R75 Q76F55-I72 HydrophobicContact CE2-CG2 3.85Å; F55-I72 HydrophobicContact CZ-CB 3.92Å; F55-I72 HydrophobicContact CZ-CG2 3.57Å; D68-I72 WeakPolarHBondContact O-CG1 3.42Å; D68-I72 PolarHBondContact O-N 3.11Å; R69-I72 PolarHBondContact O-N 3.31Å; I72-V74 PolarHBondContact O-N 3.27Å; I72-R75 WeakPolarHBondContact O-CB 3.45Å; I72-R75 PolarHBondContact O-N 3.04Å; I72-Q76 PolarHBondContact O-N 3.18Å; I72-Q76 VanDerWaalsContact O-N 3.09Å
73F93.5Very high85.5Confident2 Ų268.2 Ų68.21%0.00935%0.353CS..Hα-helixtrans-58.7-47.7176178.9-127000112.3I37 F48 E51 Y52 F55 R69 L70 D71 R75 Q76 L77I37-F73 HydrophobicContact CD1-CD1 4.3Å; I37-F73 HydrophobicContact CG2-CD1 4.45Å; I37-F73 HydrophobicContact CG2-CE1 4.01Å; F48-F73 HydrophobicContact CD2-CE1 4.32Å; F48-F73 AromaticContact CE2-CE1 3.99Å; F48-F73 HydrophobicContact CE2-CE1 3.99Å; E51-F73 HydrophobicContact CB-CE2 3.99Å; E51-F73 HydrophobicContact CB-CZ 3.66Å; E51-F73 WeakPolarHBondContact O-CE2 3.07Å; Y52-F73 HydrophobicContact CD2-CB 4.24Å; Y52-F73 AromaticContact CD2-CD1 3.81Å; Y52-F73 HydrophobicContact CD2-CD1 3.81Å; Y52-F73 HydrophobicContact CD2-CD2 4.31Å; Y52-F73 HydrophobicContact CD2-CE1 4.18Å; Y52-F73 AromaticContact CD2-CG 3.87Å; Y52-F73 HydrophobicContact CD2-CG 3.87Å; Y52-F73 HydrophobicContact CE2-CB 4.33Å; Y52-F73 HydrophobicContact CE2-CG 4.44Å; F55-F73 HydrophobicContact CB-CD2 3.77Å; F55-F73 HydrophobicContact CB-CE2 4.04Å; F55-F73 HydrophobicContact CD1-CB 3.85Å; F55-F73 AromaticContact CD1-CD2 3.72Å; F55-F73 HydrophobicContact CD1-CD2 3.72Å; F55-F73 HydrophobicContact CD1-CG 4.1Å; F55-F73 HydrophobicContact CD2-CD2 4.34Å; F55-F73 HydrophobicContact CE1-CB 3.72Å; F55-F73 HydrophobicContact CE1-CD2 4.43Å; F55-F73 HydrophobicContact CE1-CG 4.47Å; F55-F73 HydrophobicContact CG-CB 4.43Å; F55-F73 AromaticContact CG-CD2 3.66Å; F55-F73 HydrophobicContact CG-CD2 3.66Å; F55-F73 HydrophobicContact CG-CE2 4.42Å; F55-F73 HydrophobicContact CG-CG 4.45Å; F55-F73 HydrophobicContact CZ-CB 4.2Å; R69-F73 WeakPolarHBondContact O-CB 3.3Å; R69-F73 PolarHBondContact O-N 2.72Å; L70-F73 PolarHBondContact O-N 2.7Å; D71-F73 VanDerWaalsContact C-N 3.31Å; F73-R75 VanDerWaalsContact C-N 3.3Å; F73-R75 PolarHBondContact O-N 2.92Å; F73-Q76 WeakPolarHBondContact O-CA 3.13Å; F73-Q76 WeakPolarHBondContact O-CB 3.22Å; F73-Q76 PolarHBondContact O-N 2.62Å; F73-L77 HydrophobicContact CD1-CD1 4.12Å; F73-L77 HydrophobicContact CD2-CG 4.41Å; F73-L77 HydrophobicContact CE1-CD1 3.65Å; F73-L77 HydrophobicContact CE1-CG 4.35Å; F73-L77 HydrophobicContact CE2-CD1 4.22Å; F73-L77 HydrophobicContact CE2-CD2 4.11Å; F73-L77 HydrophobicContact CE2-CG 4.03Å; F73-L77 HydrophobicContact CZ-CD1 3.71Å; F73-L77 HydrophobicContact CZ-CD2 4.08Å; F73-L77 HydrophobicContact CZ-CG 4Å; F73-L77 PolarHBondContact O-N 3.25Å
74V92.5Very high83.3Confident17 Ų1772.7 Ų72.710%0.10337%0.369CS..Hα-helixtrans-60-39176167.80000111.8I37 L70 D71 I72 Q76 L77 K78I37-V74 HydrophobicContact CD1-CG2 3.55Å; I37-V74 HydrophobicContact CG1-CG2 3.54Å; L70-V74 WeakPolarHBondContact O-CB 3.23Å; L70-V74 VanDerWaalsContact O-CG2 3.27Å; L70-V74 WeakPolarHBondContact O-CG2 3.39Å; L70-V74 PolarHBondContact O-N 2.96Å; D71-V74 PolarHBondContact O-N 2.91Å; I72-V74 PolarHBondContact O-N 3.27Å; V74-Q76 VanDerWaalsContact C-N 3.27Å; V74-Q76 PolarHBondContact O-N 3Å; V74-L77 PolarHBondContact O-N 3.02Å; V74-K78 HydrophobicContact CG1-CD 4.28Å; V74-K78 HydrophobicContact CG1-CG 4.47Å; V74-K78 WeakPolarHBondContact O-CB 3.48Å; V74-K78 WeakPolarHBondContact O-CG 3.41Å; V74-K78 PolarHBondContact O-N 2.88Å
75R89.2Confident80.3Confident161 Ų16175.4 Ų75.461%0.60838%0.38SS*.Hα-helixtrans-62.1-36.5174.9-70.2171-174.2157.93.1111.6D71 I72 F73 K79D71-R75 WeakPolarHBondContact O-CG 3.33Å; D71-R75 PolarHBondContact O-N 2.78Å; I72-R75 WeakPolarHBondContact O-CB 3.45Å; I72-R75 PolarHBondContact O-N 3.04Å; F73-R75 VanDerWaalsContact C-N 3.3Å; F73-R75 PolarHBondContact O-N 2.92Å; R75-K79 WeakPolarHBondContact O-CG 3.33Å; R75-K79 PolarHBondContact O-N 3.27Å; R75-K79 VanDerWaalsContact O-N 3.14Å
76Q85.9Confident77.2Confident85 Ų8578.2 Ų78.240%0.39741%0.409SS..Hα-helixtrans-69.2-45.3175.4-179162.1-34.900112.1I72 F73 V74 K78 K79 A80I72-Q76 PolarHBondContact O-N 3.18Å; I72-Q76 VanDerWaalsContact O-N 3.09Å; F73-Q76 WeakPolarHBondContact O-CA 3.13Å; F73-Q76 WeakPolarHBondContact O-CB 3.22Å; F73-Q76 PolarHBondContact O-N 2.62Å; V74-Q76 VanDerWaalsContact C-N 3.27Å; V74-Q76 PolarHBondContact O-N 3Å; Q76-K78 VanDerWaalsContact C-N 3.27Å; Q76-K78 PolarHBondContact O-N 3.44Å; Q76-K79 PolarHBondContact O-N 3.19Å; Q76-K79 VanDerWaalsContact O-N 3.1Å; Q76-A80 PolarHBondContact O-N 2.87Å
77L85.4Confident74.2Confident18 Ų1882.3 Ų82.39%0.09443%0.428CS..Hα-helixtrans-59-38.9174.2-68.7177.9000112.1I37 Y41 F73 V74 A80 T81I37-L77 HydrophobicContact CG2-CD1 3.94Å; Y41-L77 HydrophobicContact CD1-CB 4.27Å; Y41-L77 HydrophobicContact CD1-CD1 4.38Å; Y41-L77 HydrophobicContact CD2-CD1 3.91Å; Y41-L77 HydrophobicContact CE1-CB 3.74Å; Y41-L77 HydrophobicContact CE1-CD1 4.43Å; Y41-L77 HydrophobicContact CE2-CB 4.37Å; Y41-L77 HydrophobicContact CE2-CD1 3.96Å; Y41-L77 HydrophobicContact CG-CD1 4.13Å; F73-L77 HydrophobicContact CD1-CD1 4.12Å; F73-L77 HydrophobicContact CD2-CG 4.41Å; F73-L77 HydrophobicContact CE1-CD1 3.65Å; F73-L77 HydrophobicContact CE1-CG 4.35Å; F73-L77 HydrophobicContact CE2-CD1 4.22Å; F73-L77 HydrophobicContact CE2-CD2 4.11Å; F73-L77 HydrophobicContact CE2-CG 4.03Å; F73-L77 HydrophobicContact CZ-CD1 3.71Å; F73-L77 HydrophobicContact CZ-CD2 4.08Å; F73-L77 HydrophobicContact CZ-CG 4Å; F73-L77 PolarHBondContact O-N 3.25Å; V74-L77 PolarHBondContact O-N 3.02Å; L77-A80 PolarHBondContact O-N 3.27Å; L77-T81 PolarHBondContact O-N 2.97Å; L77-T81 PolarHBondContact O-OG1 2.76Å
78K84.8Confident71Confident113 Ų11386.5 Ų86.549%0.49145%0.445SS..Hα-helixtrans-62.9-40.5174-75.7-179.8-178.7178.90112.7Y41 V74 Q76 T81 A82Y41-K78 VanDerWaalsContact OH-CG 3.31Å; Y41-K78 WeakPolarHBondContact OH-CG 3.39Å; V74-K78 HydrophobicContact CG1-CD 4.28Å; V74-K78 HydrophobicContact CG1-CG 4.47Å; V74-K78 WeakPolarHBondContact O-CB 3.48Å; V74-K78 WeakPolarHBondContact O-CG 3.41Å; V74-K78 PolarHBondContact O-N 2.88Å; Q76-K78 VanDerWaalsContact C-N 3.27Å; Q76-K78 PolarHBondContact O-N 3.44Å; K78-T81 WeakPolarHBondContact CA-OG1 3.4Å; K78-T81 PolarHBondContact O-N 3.05Å; K78-T81 PolarHBondContact O-OG1 2.9Å; K78-T81 VanDerWaalsContact O-OG1 3.14Å; K78-A82 WeakPolarHBondContact O-CB 3.36Å; K78-A82 PolarHBondContact O-N 3.26Å
79K78.9Confident67.6Low164 Ų16487.1 Ų87.171%0.71345%0.453SS*.Hα-helixtrans-64-44.5176-73.9179.2178.7-174.40111.3R75 Q76 T81 A82 S83R75-K79 WeakPolarHBondContact O-CG 3.33Å; R75-K79 PolarHBondContact O-N 3.27Å; R75-K79 VanDerWaalsContact O-N 3.14Å; Q76-K79 PolarHBondContact O-N 3.19Å; Q76-K79 VanDerWaalsContact O-N 3.1Å; K79-T81 VanDerWaalsContact C-N 3.33Å; K79-T81 PolarHBondContact O-N 2.79Å; K79-A82 PolarHBondContact O-N 3.11Å; K79-S83 PolarHBondContact O-N 3.39Å; K79-S83 VanDerWaalsContact O-N 3.09Å
80A71.2Confident64.3Low62 Ų6290.8 Ų90.851%0.51248%0.477SS..Hα-helixtrans-63-37.6177.300000112.6Q76 L77Q76-A80 PolarHBondContact O-N 2.87Å; L77-A80 PolarHBondContact O-N 3.27Å
81T67.4Low61.1Low59 Ų5998.9 Ų98.936%0.36251%0.514SS..Hα-helixtrans-79.8-31.3176.944.50000113.7Y41 L77 K78 K79 S83 K84 K85Y41-T81 HydrophobicContact CE1-CG2 4.39Å; L77-T81 PolarHBondContact O-N 2.97Å; L77-T81 PolarHBondContact O-OG1 2.76Å; K78-T81 WeakPolarHBondContact CA-OG1 3.4Å; K78-T81 PolarHBondContact O-N 3.05Å; K78-T81 PolarHBondContact O-OG1 2.9Å; K78-T81 VanDerWaalsContact O-OG1 3.14Å; K79-T81 VanDerWaalsContact C-N 3.33Å; K79-T81 PolarHBondContact O-N 2.79Å; T81-S83 VanDerWaalsContact C-N 3.33Å; T81-K84 WeakPolarHBondContact O-CB 3.29Å; T81-K84 PolarHBondContact O-N 3.38Å; T81-K84 VanDerWaalsContact O-N 3.09Å; T81-K85 PolarHBondContact O-N 3.26Å
82A56.3Low57.7Low59 Ų59105 Ų10549%0.48854%0.539SS..Hα-helixtrans-66.2-36.217400000111.8K78 K79 K84 K85 G86K78-A82 WeakPolarHBondContact O-CB 3.36Å; K78-A82 PolarHBondContact O-N 3.26Å; K79-A82 PolarHBondContact O-N 3.11Å; A82-K84 PolarHBondContact O-N 2.85Å; A82-K84 VanDerWaalsContact O-N 3.12Å; A82-K85 PolarHBondContact O-N 2.86Å; A82-G86 PolarHBondContact O-N 2.81Å; A82-G86 VanDerWaalsContact O-N 3.16Å
83S49.3Very low54.5Low80 Ų80108.5 Ų108.556%0.55956%0.557SS**Hα-helixtrans-57.9-23.6171.1-154.20000112.6K79 T81K79-S83 PolarHBondContact O-N 3.39Å; K79-S83 VanDerWaalsContact O-N 3.09Å; T81-S83 VanDerWaalsContact C-N 3.33Å
84K44.6Very low51.2Low168 Ų168113 Ų11373%0.7359%0.589SS**Hα-helixtrans-87.4-18.9173.8-61.4-176.6177.4-177.50114.2T81 A82T81-K84 WeakPolarHBondContact O-CB 3.29Å; T81-K84 PolarHBondContact O-N 3.38Å; T81-K84 VanDerWaalsContact O-N 3.09Å; A82-K84 PolarHBondContact O-N 2.85Å; A82-K84 VanDerWaalsContact O-N 3.12Å
85K31.1Very low48Very low166 Ų166119 Ų11972%0.72262%0.621SS**Hα-helixtrans-99.1-16.3-175.4-82.1-173176.7-179.40114.4T81 A82 N87T81-K85 PolarHBondContact O-N 3.26Å; A82-K85 PolarHBondContact O-N 2.86Å; K85-N87 PolarHBondContact O-N 2.83Å; K85-N87 VanDerWaalsContact O-N 3.09Å
86G30.1Very low44.8Very low61 Ų61115.3 Ų115.363%0.62962%0.619SS**THydrogen-bonded Turntrans-59-17.5179.100000115.4A82 K88A82-G86 PolarHBondContact O-N 2.81Å; A82-G86 VanDerWaalsContact O-N 3.16Å; G86-K88 PolarHBondContact O-N 2.73Å
87N31.7Very low41.9Very low116 Ų116121.8 Ų121.862%0.6264%0.642SS**THydrogen-bonded Turntrans-98.132.3-171.9-68.53.4000114.5K85 E131K85-N87 PolarHBondContact O-N 2.83Å; K85-N87 VanDerWaalsContact O-N 3.09Å; N87-E131 PolarHBondContact ND2-OE2 3.17Å; N87-E131 VanDerWaalsContact ND2-OE2 3.07Å
88K27.1Very low39.2Very low183 Ų183125.9 Ų125.980%0.79668%0.678SS**  trans-12872.1-179.4-74.4-169176.2-173.30113.6G86G86-K88 PolarHBondContact O-N 2.73Å
89V24.4Very low36.6Very low128 Ų128125.2 Ų125.278%0.77669%0.688SS**  trans-141.4126.7165.3-175.80000110.5
90N24.8Very low34.7Very low134 Ų134123.5 Ų123.572%0.71769%0.686SS**  trans97.5116.8167.6-65.4-21.8000120.5
91Q28.6Very low32.8Very low170 Ų170128.4 Ų128.479%0.79470%0.698SS**  trans67.8157.2135.9-73.9178.6-2.500119.4
92F21.9Very low31.5Very low184 Ų184129.2 Ų129.281%0.80771%0.711SS**  cis178.3144.8-34.2-121.3-85000102.5
93L26Very low30.6Very low148 Ų148132.1 Ų132.178%0.77571%0.714SS**  trans78.2106.6168.2-56.8174.5000120.7
94S23.2Very low29.9Very low96 Ų96133.1 Ų133.167%0.67171%0.714SS**  43.3116.2118.4-42.50000121.3
95N25.1Very low29.6Very low145 Ų145130.8 Ų130.878%0.77571%0.708SS**  -174162.4103.2-102.1-8.1000113.7
96S24.1Very low30.6Very low82 Ų82125.7 Ų125.757%0.57369%0.693SS**  trans-92.7173.3-158.645.30000116.2
97Y24.9Very low31.3Very low222 Ų222128.1 Ų128.187%0.87169%0.688SS**  trans93.496.6165.2-60.6-78.8000117.3
98A28.6Very low31.9Very low104 Ų104129.9 Ų129.986%0.8669%0.693SS**  -177123121.500000114
99S29.5Very low32.6Very low99 Ų99126.4 Ų126.469%0.69268%0.682SS**  trans90.979.5145.1-169.50000120.6H101S99-H101 VanDerWaalsContact C-N 3.31Å; S99-H101 PolarHBondContact O-N 2.75Å; S99-H101 VanDerWaalsContact O-N 3.16Å
100D38Very low33.6Very low127 Ų127124.9 Ų124.968%0.67967%0.669SS**THydrogen-bonded Turntrans-72.419.1175.6-73.9-30.2000117.6
101H32.6Very low34.4Very low165 Ų165122 Ų12276%0.76466%0.664SS**THydrogen-bonded Turntrans-101.8-8.6-177.4-77.9-48.1000116.4S99S99-H101 VanDerWaalsContact C-N 3.31Å; S99-H101 PolarHBondContact O-N 2.75Å; S99-H101 VanDerWaalsContact O-N 3.16Å
102A38.7Very low35.3Very low77 Ų77119.1 Ų119.164%0.63666%0.658SS**SBendtrans-96.7-27.9176.400000113.5
103E37.6Very low36.1Very low119 Ų119119.4 Ų119.456%0.55666%0.655SS**Hα-helixtrans-75.4-33.2-175.4-74.4-171.4158.700113.1I105 S106 Q107E103-I105 PolarHBondContact O-N 2.81Å; E103-S106 PolarHBondContact O-N 3.09Å; E103-S106 VanDerWaalsContact O-N 3.15Å; E103-S106 PolarHBondContact O-OG 2.75Å; E103-Q107 PolarHBondContact O-N 2.83Å
104N34.3Very low36.3Very low101 Ų101115.5 Ų115.554%0.5465%0.65SS.*Hα-helixtrans-62.5-37.7-176.7-79.3-13.9000113.8S106 Q107 E108N104-S106 VanDerWaalsContact C-N 3.29Å; N104-S106 PolarHBondContact O-N 2.78Å; N104-Q107 PolarHBondContact O-N 2.54Å; N104-E108 PolarHBondContact O-N 2.72Å
105I39.4Very low36.9Very low120 Ų120115.1 Ų115.162%0.61564%0.644SS**Hα-helixtrans-68.2-33.1179.9-58.4174.9000110.9E103E103-I105 PolarHBondContact O-N 2.81Å
106S52.2Low37.1Very low59 Ų59117 Ų11741%0.41365%0.648SS.*Hα-helixtrans-74.8-33.6179.769.50000112.9E103 N104 L110E103-S106 PolarHBondContact O-N 3.09Å; E103-S106 VanDerWaalsContact O-N 3.15Å; E103-S106 PolarHBondContact O-OG 2.75Å; N104-S106 VanDerWaalsContact C-N 3.29Å; N104-S106 PolarHBondContact O-N 2.78Å; S106-L110 WeakPolarHBondContact O-CD1 3.45Å; S106-L110 WeakPolarHBondContact O-CG 3.49Å; S106-L110 PolarHBondContact O-N 2.87Å
107Q43.7Very low37.4Very low112 Ų112117.9 Ų117.952%0.52365%0.654SS.*Hα-helixtrans-74.4-36.3-179.5-70.3-179.93.600112.3E103 N104 L110 A111E103-Q107 PolarHBondContact O-N 2.83Å; N104-Q107 PolarHBondContact O-N 2.54Å; Q107-L110 PolarHBondContact O-N 3.16Å; Q107-A111 PolarHBondContact O-N 3.15Å
108E44.8Very low37.6Very low153 Ų153113.8 Ų113.872%0.71565%0.653SS**Hα-helixtrans-64.5-41.1176.3-130172.5-16800111.6N104 L110 A111 V112N104-E108 PolarHBondContact O-N 2.72Å; E108-L110 PolarHBondContact O-N 3.32Å; E108-A111 PolarHBondContact O-N 2.8Å; E108-V112 WeakPolarHBondContact O-CG2 3.27Å; E108-V112 PolarHBondContact O-N 2.7Å
109L42.7Very low37.5Very low110 Ų110116 Ų11658%0.57665%0.65SS**Hα-helixtrans-67.2-33.7175.1-77.9169000113Y113L109-Y113 WeakPolarHBondContact O-CD2 3.42Å
110L43.9Very low37.4Very low95 Ų95116.7 Ų116.750%0.49766%0.655SS.*Hα-helixtrans-73-31.7177.2-75.9164.2000112.5S106 Q107 E108 V112 Y113 G114 V115S106-L110 WeakPolarHBondContact O-CD1 3.45Å; S106-L110 WeakPolarHBondContact O-CG 3.49Å; S106-L110 PolarHBondContact O-N 2.87Å; Q107-L110 PolarHBondContact O-N 3.16Å; E108-L110 PolarHBondContact O-N 3.32Å; L110-V112 VanDerWaalsContact C-N 3.34Å; L110-Y113 PolarHBondContact O-N 2.91Å; L110-G114 PolarHBondContact O-N 3.34Å; L110-V115 PolarHBondContact O-N 3.23Å
111A43Very low36.9Very low74 Ų74116 Ų11661%0.61266%0.658SS**Hα-helixtrans-66.4-35.1174.900000112.4Q107 E108 Y113 G114Q107-A111 PolarHBondContact O-N 3.15Å; E108-A111 PolarHBondContact O-N 2.8Å; A111-Y113 PolarHBondContact O-N 2.93Å; A111-G114 PolarHBondContact O-N 3.23Å
112V46.8Very low36.5Very low110 Ų110113.5 Ų113.567%0.66766%0.659SS**Hα-helixtrans-60.4-28.8175.41740000112.1E108 L110E108-V112 WeakPolarHBondContact O-CG2 3.27Å; E108-V112 PolarHBondContact O-N 2.7Å; L110-V112 VanDerWaalsContact C-N 3.34Å
113Y39.4Very low35.9Very low189 Ų189117.9 Ų117.974%0.74167%0.67SS**THydrogen-bonded Turntrans-102.314.6-179.3-69.9-74.5000114.4L109 L110 A111 V115L109-Y113 WeakPolarHBondContact O-CD2 3.42Å; L110-Y113 PolarHBondContact O-N 2.91Å; A111-Y113 PolarHBondContact O-N 2.93Å; Y113-V115 PolarHBondContact O-N 3.13Å
114G30.1Very low35.5Very low66 Ų66117.6 Ų117.668%0.6868%0.675SS**THydrogen-bonded Turntrans67.219.8169.700000115.1L110 A111 Q116L110-G114 PolarHBondContact O-N 3.34Å; A111-G114 PolarHBondContact O-N 3.23Å; G114-Q116 PolarHBondContact O-N 3.03Å
115V36.2Very low34.9Very low89 Ų89123.8 Ų123.854%0.53969%0.691SS.*  trans-86.7106.8179.5-176.10000109.2L110 Y113 S117L110-V115 PolarHBondContact O-N 3.23Å; Y113-V115 PolarHBondContact O-N 3.13Å; V115-S117 PolarHBondContact O-N 2.99Å
116Q28.9Very low34.6Very low184 Ų184126.2 Ų126.286%0.8670%0.704SS**  trans-68.6125.3172.9-71-178.3-9.400110.3G114 T118G114-Q116 PolarHBondContact O-N 3.03Å; Q116-T118 PolarHBondContact O-N 3.04Å
117S29.1Very low33.4Very low101 Ų101130.1 Ų130.171%0.70672%0.721SS**  trans-66.3120.6-179.759.40000111.7V115 N119V115-S117 PolarHBondContact O-N 2.99Å; S117-N119 PolarHBondContact O-N 2.92Å
118T30.9Very low32.6Very low136 Ų136130 Ų13083%0.83473%0.732SS**  trans-82.4106.2164.146.70000109.1Q116 S120Q116-T118 PolarHBondContact O-N 3.04Å; T118-S120 PolarHBondContact O-N 2.79Å
119N24.9Very low31.9Very low149 Ų149128.8 Ų128.880%0.79774%0.735SS**  trans-58.5118.8169.6-78.4-24.2000110.1S117S117-N119 PolarHBondContact O-N 2.92Å
120S27.2Very low31.3Very low114 Ų114129.4 Ų129.480%0.79775%0.749SS**  trans-162.1146.2159.2-77.20000110.7T118T118-S120 PolarHBondContact O-N 2.79Å
121P27.9Very low31Very low114 Ų114131 Ų13174%0.7475%0.753SS**  -92149.2-12932.6-34.5000115.5
122S24.4Very low30.9Very low112 Ų112131.2 Ų131.278%0.78376%0.756SS**  trans-11.3119.8160.740.90000117.4
123I26.9Very low31.2Very low169 Ų169128.8 Ų128.887%0.86774%0.742SS**  trans-90111.2172.5-66171.1000108.9
124V28.3Very low32.7Very low112 Ų112125 Ų12568%0.67974%0.739SS**  trans-91.4139169.81750000109.7
125R22.8Very low35.4Very low232 Ų232124.6 Ų124.688%0.87572%0.719SS**  trans-87.8139.3173.6-66.9176.4171.5129.80.5110.3
126L33.2Very low37.8Very low170 Ų170122.7 Ų122.789%0.8971%0.71SS**  trans-154.7154.4147.3-153.273.7000112.2
127D26.2Very low40.7Very low141 Ų141116.3 Ų116.375%0.75468%0.683SS**  trans-65.9163.5-178.1-72.1-50.5000117.5
128S27.2Very low43.5Very low110 Ų110112.3 Ų112.377%0.76965%0.654SS**  trans75.690.8152.968.50000119.2
129V29.1Very low46.4Very low127 Ų127106.2 Ų106.277%0.7762%0.616SS**  -144120118.8-177.70000106.8E131V129-E131 HydrophobicContact CG1-CG 4.06Å; V129-E131 PolarHBondContact O-N 3.32Å
130S31.8Very low49.6Very low123 Ų123105.5 Ų105.586%0.8660%0.602SS**  trans-7775.8169.867.80000109.3
131E36.1Very low52.7Low128 Ų128100.6 Ų100.660%0.59857%0.567SS**PPolyproline II helixtrans-77126.4157.8-81.8-178.4165.500107.2N87 V129N87-E131 PolarHBondContact ND2-OE2 3.17Å; N87-E131 VanDerWaalsContact ND2-OE2 3.07Å; V129-E131 HydrophobicContact CG1-CG 4.06Å; V129-E131 PolarHBondContact O-N 3.32Å
132A42.4Very low55.5Low80 Ų8097 Ų9766%0.66155%0.55SS**PPolyproline II helixtrans-53136.3174.400000108.5T134A132-T134 PolarHBondContact O-N 2.73Å
133P51.5Low57.8Low58 Ų58100 Ų10038%0.37755%0.552SS.*PPolyproline II helixtrans-48.3121.7173.214.9-25.7000108.3E135 I330 F556P133-E135 VanDerWaalsContact C-N 3.28Å; P133-E135 PolarHBondContact O-N 3.15Å; P133-I330 HydrophobicContact CG-CD1 4.13Å; P133-I330 HydrophobicContact CG-CG1 3.98Å; P133-F556 WeakPolarHBondContact CB-OXT 3.17Å
134T72.4Confident59.2Low110 Ų11095.2 Ų95.268%0.67553%0.533SS*.  trans-70.891.7-175.5-24.40000107.3A132 S136A132-T134 PolarHBondContact O-N 2.73Å; T134-S136 PolarHBondContact O-N 3.25Å
135E85Confident60.3Low57 Ų5791.1 Ų91.127%0.26651%0.509SS..  trans-58.8127.4177.6-68.8-171.9105.700110P133 I330 H334 Y528 R530 V554 R555 F556P133-E135 VanDerWaalsContact C-N 3.28Å; P133-E135 PolarHBondContact O-N 3.15Å; E135-I330 WeakPolarHBondContact OE1-CG2 3.29Å; E135-H334 IonicContact OE2-CE1 3.59Å; E135-H334 IonicContact OE2-NE2 2.76Å; E135-H334 PolarHBondContact OE2-NE2 3.25Å; E135-H334 VanDerWaalsContact OE2-NE2 3.11Å; E135-Y528 PolarHBondContact OE1-OH 2.82Å; E135-R530 IonicContact OE1-NH1 2.62Å; E135-R530 IonicContact OE2-NH1 2.79Å; E135-V554 HydrophobicContact CB-CG1 3.8Å; E135-V554 HydrophobicContact CG-CG1 4.18Å; E135-R555 CarbonylContact C-O 3.54Å; E135-R555 WeakPolarHBondContact CA-O 3.24Å; E135-F556 HydrophobicContact CG-CB 4.45Å
136S87.7Confident61.5Low49 Ų4984 Ų8434%0.34351%0.509SS..EExtended strand (participates in β ladder)trans-116.5116.8175.667.50000110T134 L138 R555T134-S136 PolarHBondContact O-N 3.25Å; S136-L138 PolarHBondContact O-N 2.84Å; S136-R555 PolarHBondContact N-O 3.16Å; S136-R555 PolarHBondContact O-N 2.87Å; S136-R555 WeakPolarHBondContact OG-CB 3.43Å
137V89.5Confident62.3Low51 Ų5179.1 Ų79.131%0.30949%0.486SS..EExtended strand (participates in β ladder)trans-69.2121.6174.3-178.60000109.1R140 E552 V554V137-R140 HydrophobicContact CG1-CG 3.63Å; V137-E552 HydrophobicContact CG1-CB 4.22Å; V137-E552 HydrophobicContact CG1-CG 4.31Å; V137-V554 HydrophobicContact CG2-CG2 4.38Å
138L89.1Confident63.9Low17 Ų1778.9 Ų78.99%0.08949%0.485CS..EExtended strand (participates in β ladder)trans-92.7-42.1178.3-56.3-178.1000111.5A54 C58 S136 F507 I527 I553 R555A54-L138 WeakPolarHBondContact CB-O 3.36Å; C58-L138 PolarHBondContact SG-O 3.32Å; S136-L138 PolarHBondContact O-N 2.84Å; L138-F507 HydrophobicContact CB-CE1 4.4Å; L138-F507 HydrophobicContact CB-CE2 3.8Å; L138-F507 HydrophobicContact CB-CZ 3.61Å; L138-F507 HydrophobicContact CD1-CD1 4.31Å; L138-F507 HydrophobicContact CD1-CE1 3.54Å; L138-F507 HydrophobicContact CD1-CE2 4.39Å; L138-F507 HydrophobicContact CD1-CZ 3.6Å; L138-F507 HydrophobicContact CG-CZ 4.2Å; L138-I527 HydrophobicContact CD1-CD1 3.95Å; L138-I527 HydrophobicContact CD1-CG1 4.25Å; L138-I527 HydrophobicContact CD1-CG2 4.15Å; L138-I553 PolarHBondContact N-O 3.13Å; L138-R555 HydrophobicContact CD1-CB 3.97Å; L138-R555 HydrophobicContact CD2-CB 4.09Å; L138-R555 HydrophobicContact CG-CB 4.09Å
139L91.2Very high65.6Low8 Ų874.6 Ų74.64%0.04245%0.452CS..EExtended strand (participates in β ladder)trans-142.6144.3-177.9-176.1149.2000110Y57 F507 I509 E552 I553Y57-L139 HydrophobicContact CD1-CD1 4.49Å; Y57-L139 HydrophobicContact CD1-CG 4.36Å; Y57-L139 HydrophobicContact CE1-CG 4.5Å; L139-F507 HydrophobicContact CB-CD2 4.25Å; L139-F507 HydrophobicContact CB-CE2 4.06Å; L139-F507 HydrophobicContact CD1-CD2 4.34Å; L139-I509 HydrophobicContact CD2-CB 3.9Å; L139-I509 HydrophobicContact CD2-CD1 3.66Å; L139-I509 HydrophobicContact CD2-CG1 3.7Å; L139-E552 CarbonylContact O-C 3.56Å; L139-E552 VanDerWaalsContact O-CA 3.24Å; L139-E552 WeakPolarHBondContact O-CA 3.34Å; L139-I553 HydrophobicContact CB-CB 4.1Å; L139-I553 HydrophobicContact CB-CG1 4.2Å; L139-I553 HydrophobicContact CD2-CD1 4.41Å; L139-I553 HydrophobicContact CD2-CG1 4.24Å; L139-I553 PolarHBondContact N-O 2.81Å; L139-I553 PolarHBondContact O-N 3.28Å
140R92.1Very high66.9Low134 Ų13474.8 Ų74.851%0.50645%0.446SS..EExtended strand (participates in β ladder)trans-122.8147.1174.8-65.2-171.7163.7150.6-0.5110.9Y57 V137 A551 E552Y57-R140 WeakPolarHBondContact CE1-O 3.31Å; V137-R140 HydrophobicContact CG1-CG 3.63Å; R140-A551 CarbonylContact C-O 3.47Å; R140-E552 HydrophobicContact CG-CG 4.09Å; R140-E552 IonicContact CZ-OE1 3.5Å; R140-E552 IonicContact NE-OE1 2.82Å; R140-E552 PolarHBondContact NE-OE1 2.79Å; R140-E552 IonicContact NH2-OE1 2.79Å
141F91.7Very high68.5Low11 Ų1170.4 Ų70.45%0.04841%0.411CS..EExtended strand (participates in β ladder)trans-140.3137.9173.6177.8-87.3000109.7I509 E511 I516 K546 I549 A551F141-I509 HydrophobicContact CB-CB 3.76Å; F141-I509 HydrophobicContact CB-CD1 3.89Å; F141-I509 HydrophobicContact CB-CG1 4.43Å; F141-I509 HydrophobicContact CB-CG2 3.51Å; F141-I509 HydrophobicContact CD1-CG2 3.78Å; F141-I509 HydrophobicContact CD2-CB 4.18Å; F141-I509 HydrophobicContact CD2-CG2 3.64Å; F141-I509 HydrophobicContact CE1-CG2 4.4Å; F141-I509 HydrophobicContact CE2-CG2 4.27Å; F141-I509 HydrophobicContact CG-CB 4.05Å; F141-I509 HydrophobicContact CG-CG2 3.35Å; F141-E511 HydrophobicContact CE2-CB 4.44Å; F141-E511 HydrophobicContact CZ-CB 4.28Å; F141-I516 HydrophobicContact CE1-CD1 3.99Å; F141-I516 HydrophobicContact CE1-CG1 4.32Å; F141-I516 HydrophobicContact CE1-CG2 4.38Å; F141-I516 HydrophobicContact CZ-CD1 4.34Å; F141-I516 HydrophobicContact CZ-CG1 4.26Å; F141-K546 HydrophobicContact CE1-CD 4.5Å; F141-K546 HydrophobicContact CE1-CG 3.97Å; F141-K546 HydrophobicContact CZ-CD 3.83Å; F141-K546 HydrophobicContact CZ-CG 3.81Å; F141-I549 HydrophobicContact CD1-CG2 4.31Å; F141-I549 HydrophobicContact CE1-CG2 4.34Å; F141-A551 HydrophobicContact CB-CB 4.42Å; F141-A551 PolarHBondContact N-O 3.1Å; F141-A551 PolarHBondContact O-N 3.44Å
142G87.2Confident69.5Low38 Ų3875.3 Ų75.339%0.39242%0.424SS..SBendtrans76.6178.7-173.200000112.8I549G142-I549 WeakPolarHBondContact CA-O 3.26Å
143E72.3Confident70Confident176 Ų17678.1 Ų78.182%0.82243%0.426SS*.  trans-74.9130.9174.8-66.3-175.8176.700108.7S145 S550E143-S145 PolarHBondContact O-N 3.02Å; E143-S550 WeakPolarHBondContact O-CB 3.26Å; E143-S550 PolarHBondContact O-OG 2.77Å
144S57.4Low70.3Confident67 Ų6778 Ų7847%0.46943%0.43SS..  trans-62.9111.3171.6-173.10000106.7G146S144-G146 PolarHBondContact O-N 3.43Å; S144-G146 VanDerWaalsContact O-N 3.12Å
145S50.5Low69.6Low26 Ų2678.8 Ų78.818%0.18243%0.43CS..  trans-51.6124.5152.639.60000104.7E143 T147 E532E143-S145 PolarHBondContact O-N 3.02Å; S145-T147 VanDerWaalsContact CB-OG1 3.23Å; S145-T147 WeakPolarHBondContact CB-OG1 3.36Å; S145-T147 PolarHBondContact O-N 3.23Å; S145-T147 PolarHBondContact OG-OG1 3.17Å; S145-E532 PolarHBondContact OG-OE2 2.9Å
146G48.5Very low68.7Low84 Ų8481.1 Ų81.187%0.86644%0.437SS*.  trans-66.424.1174.100000112.4S144S144-G146 PolarHBondContact O-N 3.43Å; S144-G146 VanDerWaalsContact O-N 3.12Å
147T50Low68.2Low66 Ų6686.5 Ų86.541%0.40546%0.462SS..  trans-77.8131.3-176.644.10000109S145 W149 E532S145-T147 VanDerWaalsContact CB-OG1 3.23Å; S145-T147 WeakPolarHBondContact CB-OG1 3.36Å; S145-T147 PolarHBondContact O-N 3.23Å; S145-T147 PolarHBondContact OG-OG1 3.17Å; T147-W149 PolarHBondContact O-N 2.91Å; T147-E532 PolarHBondContact OG1-OE2 2.82Å
148N58.8Low68.1Low136 Ų13685.1 Ų85.173%0.72745%0.452SS*.  trans-60128.6155.1-72-36.6000106.4M150N148-M150 PolarHBondContact O-N 3.04Å
149W62.8Low68.2Low20 Ų2088 Ų888%0.07647%0.467CS..SBendtrans-65.128.5176.7-68.782.7000113T147 Y151 F307 H334 R530 E532 E552T147-W149 PolarHBondContact O-N 2.91Å; W149-Y151 WeakPolarHBondContact CZ3-OH 3.35Å; W149-F307 HydrophobicContact CE3-CE1 4.42Å; W149-H334 WeakPolarHBondContact CB-ND1 3.45Å; W149-H334 VanDerWaalsContact O-CB 3.27Å; W149-H334 WeakPolarHBondContact O-CB 3.32Å; W149-H334 PolarHBondContact O-ND1 3.13Å; W149-R530 VanDerWaalsContact CD2-CD 3.47Å; W149-R530 HydrophobicContact CD2-CG 4.24Å; W149-R530 HydrophobicContact CE3-CB 3.94Å; W149-R530 VanDerWaalsContact CE3-CD 3.42Å; W149-R530 HydrophobicContact CE3-CG 3.85Å; W149-R530 HydrophobicContact CH2-CB 3.92Å; W149-R530 HydrophobicContact CH2-CG 3.46Å; W149-R530 VanDerWaalsContact CH2-CG 3.46Å; W149-R530 HydrophobicContact CZ2-CG 3.82Å; W149-R530 HydrophobicContact CZ3-CB 3.46Å; W149-R530 VanDerWaalsContact CZ3-CB 3.46Å; W149-R530 HydrophobicContact CZ3-CG 3.46Å; W149-R530 VanDerWaalsContact CZ3-CG 3.46Å; W149-R530 VanDerWaalsContact NE1-CZ 3.28Å; W149-R530 VanDerWaalsContact NE1-NH2 3.19Å; W149-E532 HydrophobicContact CE3-CG 4.19Å; W149-E532 HydrophobicContact CH2-CB 4.47Å; W149-E532 HydrophobicContact CH2-CG 3.7Å; W149-E532 HydrophobicContact CZ3-CG 3.48Å; W149-E532 VanDerWaalsContact CZ3-CG 3.48Å; W149-E552 HydrophobicContact CZ2-CG 4.13Å; W149-E552 PolarHBondContact NE1-OE2 3.35Å
150M56.3Low68.3Low132 Ų13288.7 Ų88.765%0.6547%0.472SS*.  trans-104.3111.4179.3-68.9-176.569.500109.3N148N148-M150 PolarHBondContact O-N 3.04Å
151Y66.2Low68.4Low31 Ų3186.4 Ų86.412%0.12246%0.463CS..  trans-98.2133.3-174.9-51.7-70.3000112.4W149 H303 H334 P336 E532W149-Y151 WeakPolarHBondContact CZ3-OH 3.35Å; Y151-H303 AromaticContact CD1-NE2 3.63Å; Y151-H303 AromaticContact CE1-CE1 3.86Å; Y151-H303 AromaticContact CE1-NE2 3.22Å; Y151-H303 WeakPolarHBondContact CE1-NE2 3.43Å; Y151-H334 WeakPolarHBondContact CD2-O 3.37Å; Y151-H334 PolarHBondContact N-O 3.48Å; Y151-P336 HydrophobicContact CE2-CB 4.49Å; Y151-E532 VanDerWaalsContact CE1-OE1 3.31Å; Y151-E532 WeakPolarHBondContact CE1-OE1 3.31Å; Y151-E532 VanDerWaalsContact CZ-OE1 3.32Å; Y151-E532 WeakPolarHBondContact OH-CG 3.46Å; Y151-E532 PolarHBondContact OH-OE1 3.11Å
152R57.7Low68.6Low231 Ų23187.7 Ų87.787%0.87247%0.472SS*.  trans-63.3150178.5-69-175.2175.3-175.4-0.6111.4A154R152-A154 PolarHBondContact O-N 3.39Å
153I52.5Low69Low138 Ų13888.1 Ų88.171%0.70846%0.463SS*.  trans-71.421.8-173.7-53.1160.5000113.5N155I153-N155 PolarHBondContact O-N 2.84Å
154A57.5Low70Confident57 Ų5782.6 Ų82.647%0.47144%0.44SS..  trans-63.4107.3173.700000108.4R152 R156R152-A154 PolarHBondContact O-N 3.39Å; A154-R156 PolarHBondContact O-N 3Å
155N56.8Low71.6Confident125 Ų12582.3 Ų82.367%0.66844%0.438SS*.  trans-62.898.5173.8-89-21.5000108I153I153-N155 PolarHBondContact O-N 2.84Å
156R67.9Low73.6Confident107 Ų10783.5 Ų83.540%0.40445%0.446SS..  trans-101.1129.4170.8-67.8-178.6175.8-176.4-5.3107.7A154 I158A154-R156 PolarHBondContact O-N 3Å; R156-I158 PolarHBondContact O-N 3.43Å
157N76.1Confident75.6Confident162 Ų16282 Ų8287%0.86642%0.416SS*.  trans-74.9115171.4-72.6-21000108
158I87.1Confident77.5Confident22 Ų2279.5 Ų79.511%0.11340%0.401CS..  trans-87.3128.4175.5-61.5153.1000107.7R156 V160 D337 I338 I425R156-I158 PolarHBondContact O-N 3.43Å; I158-V160 HydrophobicContact CG2-CG2 3.84Å; I158-D337 VanDerWaalsContact CD1-C 3.42Å; I158-D337 HydrophobicContact CD1-CB 3.43Å; I158-D337 VanDerWaalsContact CD1-CB 3.43Å; I158-D337 WeakPolarHBondContact CD1-O 3.36Å; I158-D337 HydrophobicContact CG1-CB 4.2Å; I158-I338 HydrophobicContact CD1-CG1 4.08Å; I158-I338 HydrophobicContact CG2-CD1 3.81Å; I158-I338 HydrophobicContact CG2-CG1 4.07Å; I158-I425 HydrophobicContact CG2-CG2 4.39Å
159L90.7Very high79.2Confident78 Ų7873.3 Ų73.341%0.40837%0.368SS..  trans-88.2114175-177.963.6000109.3E299 I425 N426L159-E299 HydrophobicContact CD2-CG 3.99Å; L159-I425 WeakPolarHBondContact O-CA 3.43Å; L159-N426 PolarHBondContact N-OD1 3.26Å; L159-N426 PolarHBondContact O-N 3.27Å
160V94.5Very high80.6Confident21 Ų2179.4 Ų79.413%0.12740%0.395CS..EExtended strand (participates in β ladder)trans-121.8125.1174.2-177.50000108.7I158 T382 I384 L415 F417 R424 I425I158-V160 HydrophobicContact CG2-CG2 3.84Å; V160-T382 HydrophobicContact CG2-CG2 4.37Å; V160-I384 HydrophobicContact CB-CD1 4.49Å; V160-I384 HydrophobicContact CG1-CD1 3.66Å; V160-I384 HydrophobicContact CG1-CG1 4.23Å; V160-I384 HydrophobicContact CG2-CD1 4.01Å; V160-L415 HydrophobicContact CB-CD1 3.6Å; V160-L415 HydrophobicContact CG1-CD1 3.77Å; V160-L415 HydrophobicContact CG2-CD1 4.17Å; V160-F417 HydrophobicContact CG1-CE2 4.04Å; V160-F417 HydrophobicContact CG1-CZ 3.98Å; V160-R424 WeakPolarHBondContact CA-O 3.38Å; V160-I425 HydrophobicContact CG1-CG1 4.31Å; V160-I425 HydrophobicContact CG2-CG1 4.45Å
161R94.6Very high82.1Confident86 Ų8682.3 Ų82.333%0.32540%0.398SS..EExtended strand (participates in β ladder)trans-151.5161.1176.960.2-175.8-179.889.4-10.1110.9E299 L423 R424R161-E299 IonicContact CZ-OE1 3.72Å; R161-E299 IonicContact NE-OE1 3.64Å; R161-E299 IonicContact NE-OE2 3.87Å; R161-E299 IonicContact NH2-OE1 2.78Å; R161-E299 PolarHBondContact NH2-OE1 3.07Å; R161-E299 IonicContact NH2-OE2 3.55Å; R161-L423 CarbonylContact O-C 3.57Å; R161-L423 WeakPolarHBondContact O-CA 3.49Å; R161-R424 HydrophobicContact CG-CB 3.98Å; R161-R424 PolarHBondContact N-O 2.87Å; R161-R424 PolarHBondContact O-N 2.85Å
162P96Very high82.9Confident38 Ų3883.4 Ų83.425%0.24741%0.409CS..EExtended strand (participates in β ladder)trans-51.8140.9162.8-29.639.8000111.7D164 C168 F417P162-D164 VanDerWaalsContact C-N 3.34Å; P162-C168 VanDerWaalsContact CB-SG 3.6Å; P162-F417 HydrophobicContact CG-CE1 4.07Å
163F94.4Very high83.9Confident47 Ų4775.1 Ų75.121%0.20638%0.382CS..SBendtrans-59-51.3168168.1-98.5000109.9V293 I422 T429 I494F163-V293 HydrophobicContact CE2-CG1 3.99Å; F163-V293 HydrophobicContact CE2-CG2 4.03Å; F163-V293 HydrophobicContact CZ-CG2 4.08Å; F163-I422 HydrophobicContact CB-CB 4.06Å; F163-I422 HydrophobicContact CB-CG2 3.56Å; F163-I422 HydrophobicContact CD1-CG2 4.45Å; F163-I422 HydrophobicContact CG-CG2 4.07Å; F163-I422 PolarHBondContact N-O 2.89Å; F163-T429 HydrophobicContact CD2-CG2 3.93Å; F163-T429 HydrophobicContact CE2-CG2 4.44Å; F163-I494 HydrophobicContact CD1-CD1 4.06Å; F163-I494 HydrophobicContact CD2-CD1 3.84Å; F163-I494 HydrophobicContact CE1-CD1 4.03Å; F163-I494 HydrophobicContact CE1-CG1 4.41Å; F163-I494 HydrophobicContact CE1-CG2 3.67Å; F163-I494 HydrophobicContact CE2-CD1 3.82Å; F163-I494 HydrophobicContact CE2-CG2 4.48Å; F163-I494 HydrophobicContact CG-CD1 3.98Å; F163-I494 HydrophobicContact CZ-CD1 3.93Å; F163-I494 HydrophobicContact CZ-CG2 3.62Å
164D93.8Very high85.3Confident60 Ų6080 Ų8032%0.32139%0.391SS..  trans-141.3125168.41761.3000108.8P162 S166 F167P162-D164 VanDerWaalsContact C-N 3.34Å; D164-S166 PolarHBondContact O-N 3.33Å; D164-S166 VanDerWaalsContact OD1-CB 3.31Å; D164-S166 WeakPolarHBondContact OD1-CB 3.31Å; D164-S166 PolarHBondContact OD1-N 3.16Å; D164-S166 PolarHBondContact OD1-OG 2.83Å; D164-S166 VanDerWaalsContact OD1-OG 3.09Å; D164-S166 PolarHBondContact OD2-OG 2.94Å; D164-F167 HydrophobicContact CB-CD2 3.9Å; D164-F167 HydrophobicContact CB-CE2 4.45Å; D164-F167 PolarHBondContact O-N 2.89Å; D164-F167 WeakPolarHBondContact OD2-CD2 3.42Å; D164-F167 WeakPolarHBondContact OD2-CE2 3.42Å
165S92.1Very high86.8Confident61 Ų6180.7 Ų80.743%0.42738%0.382SS..G310 helixtrans-69.1-15.1-177.878.20000113.9F167 C168S165-F167 VanDerWaalsContact C-N 3.32Å; S165-C168 PolarHBondContact O-N 3.33Å
166S91.8Very high88.1Confident51 Ų5183.2 Ų83.236%0.35739%0.392SS..G310 helixtrans-70.1-29.6177.978.80000112.7D164D164-S166 PolarHBondContact O-N 3.33Å; D164-S166 VanDerWaalsContact OD1-CB 3.31Å; D164-S166 WeakPolarHBondContact OD1-CB 3.31Å; D164-S166 PolarHBondContact OD1-N 3.16Å; D164-S166 PolarHBondContact OD1-OG 2.83Å; D164-S166 VanDerWaalsContact OD1-OG 3.09Å; D164-S166 PolarHBondContact OD2-OG 2.94Å
167F90.1Very high88.9Confident53 Ų5383.3 Ų83.323%0.23241%0.408CS..G310 helixtrans-91.9-0.6176.5-64.5-77.8000113.3D164 S165 R488 Q491 P493D164-F167 HydrophobicContact CB-CD2 3.9Å; D164-F167 HydrophobicContact CB-CE2 4.45Å; D164-F167 PolarHBondContact O-N 2.89Å; D164-F167 WeakPolarHBondContact OD2-CD2 3.42Å; D164-F167 WeakPolarHBondContact OD2-CE2 3.42Å; S165-F167 VanDerWaalsContact C-N 3.32Å; F167-R488 WeakPolarHBondContact CD1-O 3.35Å; F167-Q491 HydrophobicContact CD1-CB 4.19Å; F167-Q491 HydrophobicContact CE1-CB 4.18Å; F167-Q491 HydrophobicContact CE1-CG 4.43Å; F167-P493 HydrophobicContact CD2-CG 4.39Å; F167-P493 HydrophobicContact CE1-CG 4.31Å; F167-P493 HydrophobicContact CE2-CG 4.11Å; F167-P493 HydrophobicContact CZ-CB 4.31Å; F167-P493 HydrophobicContact CZ-CG 4.07Å
168C91Very high89.5Confident13 Ų1378.7 Ų78.79%0.08838%0.381CS..SBendtrans-96.3123.9179.7-69.50000111.6P162 S165 K170P162-C168 VanDerWaalsContact CB-SG 3.6Å; S165-C168 PolarHBondContact O-N 3.33Å; C168-K170 PolarHBondContact O-N 3.07Å
169L94.4Very high89.7Confident7 Ų783.9 Ų83.94%0.03740%0.403CS..  trans-72.9113.7170.3-177.761.7000108.7R171 N173 P399 P401 P402 S418 Y489L169-R171 WeakPolarHBondContact CD1-O 3.35Å; L169-N173 VanDerWaalsContact CD1-ND2 3.3Å; L169-N173 WeakPolarHBondContact CD1-ND2 3.46Å; L169-P399 HydrophobicContact CD2-CB 4.16Å; L169-P401 HydrophobicContact CD2-CB 4.01Å; L169-P401 HydrophobicContact CG-CB 4.22Å; L169-P402 WeakPolarHBondContact O-CD 3.41Å; L169-P402 WeakPolarHBondContact O-CG 3.33Å; L169-S418 WeakPolarHBondContact O-CB 3.22Å; L169-Y489 HydrophobicContact CB-CD1 4.09Å; L169-Y489 HydrophobicContact CB-CD2 4.39Å; L169-Y489 HydrophobicContact CB-CG 3.99Å; L169-Y489 HydrophobicContact CD1-CD2 4Å; L169-Y489 HydrophobicContact CD1-CE1 4.49Å; L169-Y489 HydrophobicContact CD1-CE2 3.84Å; L169-Y489 HydrophobicContact CD1-CG 4.41Å
170K91Very high89.7Confident147 Ų14785.1 Ų85.164%0.63942%0.417SS*.  trans-94.8-21.2-175.2-63.4-178.6-175.3176.20113.9C168C168-K170 PolarHBondContact O-N 3.07Å
171R87.9Confident89.7Confident193 Ų19390 Ų9073%0.72844%0.438SS*.SBendtrans-154.5162.6-174.963.7179.9-178.6-176.1-0.2109.5L169 N173L169-R171 WeakPolarHBondContact CD1-O 3.35Å; R171-N173 PolarHBondContact O-N 3.22Å
172T82.7Confident89.7Confident55 Ų5589 Ų8934%0.33744%0.439SS..PPolyproline II helixtrans-47.4127167.8-43.90000111.9Y175 E395T172-Y175 HydrophobicContact CG2-CE1 4.25Å; T172-E395 VanDerWaalsContact CB-OE1 3.32Å; T172-E395 WeakPolarHBondContact CB-OE1 3.37Å; T172-E395 VanDerWaalsContact CG2-CD 3.49Å; T172-E395 WeakPolarHBondContact CG2-OE1 3.43Å; T172-E395 WeakPolarHBondContact CG2-OE2 3.43Å; T172-E395 PolarHBondContact OG1-OE1 2.89Å
173N78.4Confident89.6Confident57 Ų5787.9 Ų87.931%0.30543%0.432SS..PPolyproline II helixtrans-95.8166.1162.6-72.6-27.5000109.3L169 R171 Y175 Y489L169-N173 VanDerWaalsContact CD1-ND2 3.3Å; L169-N173 WeakPolarHBondContact CD1-ND2 3.46Å; R171-N173 PolarHBondContact O-N 3.22Å; N173-Y175 WeakPolarHBondContact O-CD1 3.32Å; N173-Y175 PolarHBondContact O-N 2.72Å; N173-Y489 WeakPolarHBondContact ND2-CE2 3.38Å
174R83.4Confident89.6Confident241 Ų24188.8 Ų88.891%0.90944%0.444SS*.PPolyproline II helixtrans-71.3121.5167.6-69.1-176.6-178.8176.30.1108
175Y88Confident89.7Confident71 Ų7191.4 Ų91.428%0.27846%0.457SS..  trans-118-178.4173.758.4-87.6000110T172 N173 C177 E395 V397T172-Y175 HydrophobicContact CG2-CE1 4.25Å; N173-Y175 WeakPolarHBondContact O-CD1 3.32Å; N173-Y175 PolarHBondContact O-N 2.72Å; Y175-C177 PolarHBondContact O-N 2.55Å; Y175-E395 WeakPolarHBondContact CE1-OE2 3.21Å; Y175-V397 HydrophobicContact CD1-CB 4.38Å; Y175-V397 HydrophobicContact CD1-CG1 3.93Å; Y175-V397 HydrophobicContact CD2-CB 4.02Å; Y175-V397 HydrophobicContact CD2-CG1 4.41Å; Y175-V397 HydrophobicContact CD2-CG2 4.29Å; Y175-V397 HydrophobicContact CE1-CG1 4.19Å; Y175-V397 HydrophobicContact CE2-CB 4.48Å; Y175-V397 HydrophobicContact CG-CB 4.02Å; Y175-V397 HydrophobicContact CG-CG1 4.09Å; Y175-V397 HydrophobicContact CG-CG2 4.02Å
176M84.3Confident89.8Confident178 Ų17889.6 Ų89.688%0.87744%0.444SS*.SBendtrans656.5-172.4-47.6-175.468.100116
177C85Confident89.9Confident109 Ų10988.1 Ų88.174%0.73643%0.432SS*.  trans-141.4106174.7-175.20000109.3Y175Y175-C177 PolarHBondContact O-N 2.55Å
178Q87.9Confident90.2Very high65 Ų6586.2 Ų86.230%0.30443%0.426SS..  trans-130.5133.1177.5-59.1-175.5-60.500108.8V183 D482 I484Q178-V183 HydrophobicContact CB-CG2 4.11Å; Q178-D482 PolarHBondContact NE2-OD1 2.98Å; Q178-I484 HydrophobicContact CB-CD1 4.19Å; Q178-I484 HydrophobicContact CG-CD1 4.2Å; Q178-I484 VanDerWaalsContact NE2-N 3.2Å
179K91.7Very high90.5Very high131 Ų13188 Ų8857%0.5744%0.442SS*.  trans-81.5140.4173.5-60.5-177.4-177.7174.70109.4E181 D182 V183K179-E181 WeakPolarHBondContact CB-OE2 3.26Å; K179-E181 PolarHBondContact O-N 3.36Å; K179-D182 HydrophobicContact CB-CB 4.26Å; K179-D182 WeakPolarHBondContact CB-OD2 3.42Å; K179-D182 PolarHBondContact O-N 3.45Å; K179-V183 WeakPolarHBondContact O-CG2 3.46Å; K179-V183 PolarHBondContact O-N 3.34Å; K179-V183 VanDerWaalsContact O-N 3.08Å
180C91.1Very high90.6Very high104 Ų10489.9 Ų89.970%0.70345%0.45SS*.Hα-helixtrans-59.2-35.3176.6-65.10000111.3V183 S184C180-V183 PolarHBondContact O-N 2.8Å; C180-S184 WeakPolarHBondContact O-CB 3.37Å; C180-S184 PolarHBondContact O-N 3.29Å; C180-S184 PolarHBondContact O-OG 3.07Å
181E94.4Very high90.9Very high122 Ų12283.1 Ų83.157%0.5742%0.421SS*.Hα-helixtrans-62.9-47.8176.5-59.279.5-169.800111.3K179 V183 S184 L185K179-E181 WeakPolarHBondContact CB-OE2 3.26Å; K179-E181 PolarHBondContact O-N 3.36Å; E181-V183 VanDerWaalsContact C-N 3.31Å; E181-V183 PolarHBondContact O-N 3.11Å; E181-S184 WeakPolarHBondContact CA-OG 3.38Å; E181-S184 PolarHBondContact O-N 2.82Å; E181-S184 PolarHBondContact O-OG 3.42Å; E181-L185 WeakPolarHBondContact O-CG 3.15Å; E181-L185 PolarHBondContact O-N 2.89Å
182D94.3Very high91.3Very high65 Ų6578.7 Ų78.735%0.34841%0.408SS..Hα-helixtrans-62.6-39.6179.8-64-27.2000111.5K179 C186 I484K179-D182 HydrophobicContact CB-CB 4.26Å; K179-D182 WeakPolarHBondContact CB-OD2 3.42Å; K179-D182 PolarHBondContact O-N 3.45Å; D182-C186 PolarHBondContact O-N 2.85Å; D182-C186 VanDerWaalsContact O-N 3.08Å; D182-C186 PolarHBondContact O-SG 3.36Å; D182-I484 HydrophobicContact CB-CD1 3.64Å; D182-I484 HydrophobicContact CB-CG1 4.28Å
183V93.5Very high92Very high16 Ų1679.6 Ų79.610%0.09741%0.408CS..Hα-helixtrans-64.2-47.6174.7171.20000110.8Q178 K179 C180 E181 L185 C186 L187 I483Q178-V183 HydrophobicContact CB-CG2 4.11Å; K179-V183 WeakPolarHBondContact O-CG2 3.46Å; K179-V183 PolarHBondContact O-N 3.34Å; K179-V183 VanDerWaalsContact O-N 3.08Å; C180-V183 PolarHBondContact O-N 2.8Å; E181-V183 VanDerWaalsContact C-N 3.31Å; E181-V183 PolarHBondContact O-N 3.11Å; V183-L185 VanDerWaalsContact C-N 3.29Å; V183-L185 PolarHBondContact O-N 2.79Å; V183-C186 WeakPolarHBondContact O-CB 3.15Å; V183-C186 PolarHBondContact O-N 2.91Å; V183-C186 VanDerWaalsContact O-N 3.11Å; V183-L187 HydrophobicContact CG1-CD1 4.16Å; V183-L187 HydrophobicContact CG1-CG 4.47Å; V183-L187 WeakPolarHBondContact O-CG 3.14Å; V183-L187 PolarHBondContact O-N 2.84Å; V183-I483 HydrophobicContact CG1-CD1 3.6Å; V183-I483 HydrophobicContact CG1-CG2 4.14Å; V183-I483 HydrophobicContact CG2-CB 4.35Å; V183-I483 HydrophobicContact CG2-CD1 4.14Å
184S94.1Very high92.9Very high65 Ų6577.6 Ų77.646%0.45540%0.398SS..Hα-helixtrans-59.7-40.2179.572.30000112.2C180 E181 L187 A188C180-S184 WeakPolarHBondContact O-CB 3.37Å; C180-S184 PolarHBondContact O-N 3.29Å; C180-S184 PolarHBondContact O-OG 3.07Å; E181-S184 WeakPolarHBondContact CA-OG 3.38Å; E181-S184 PolarHBondContact O-N 2.82Å; E181-S184 PolarHBondContact O-OG 3.42Å; S184-L187 PolarHBondContact O-N 3.02Å; S184-A188 WeakPolarHBondContact O-CB 3.48Å; S184-A188 PolarHBondContact O-N 3.17Å
185L95.9Very high93.5Very high116 Ų11668.8 Ų68.861%0.60737%0.367SS*.Hα-helixtrans-65-40.2175.7-70.5172.6000111.7E181 V183 L187 A189E181-L185 WeakPolarHBondContact O-CG 3.15Å; E181-L185 PolarHBondContact O-N 2.89Å; V183-L185 VanDerWaalsContact C-N 3.29Å; V183-L185 PolarHBondContact O-N 2.79Å; L185-L187 VanDerWaalsContact C-N 3.35Å; L185-A189 VanDerWaalsContact O-CB 3.29Å; L185-A189 WeakPolarHBondContact O-CB 3.48Å; L185-A189 PolarHBondContact O-N 2.89Å
186C95.3Very high94Very high22 Ų2271.9 Ų71.915%0.14938%0.384CS..Hα-helixtrans-64.4-39.5175.8-69.90000112.1D182 V183 K190 I483D182-C186 PolarHBondContact O-N 2.85Å; D182-C186 VanDerWaalsContact O-N 3.08Å; D182-C186 PolarHBondContact O-SG 3.36Å; V183-C186 WeakPolarHBondContact O-CB 3.15Å; V183-C186 PolarHBondContact O-N 2.91Å; V183-C186 VanDerWaalsContact O-N 3.11Å; C186-K190 PolarHBondContact O-N 2.91Å; C186-I483 HydrophobicContact CB-CG2 4.5Å
187L94.2Very high94.6Very high21 Ų2164.9 Ų64.911%0.1135%0.35CS..Hα-helixtrans-68.8-46.1177.5-65.9176.4000111.3V183 S184 L185 A189 K190 M191 Y473V183-L187 HydrophobicContact CG1-CD1 4.16Å; V183-L187 HydrophobicContact CG1-CG 4.47Å; V183-L187 WeakPolarHBondContact O-CG 3.14Å; V183-L187 PolarHBondContact O-N 2.84Å; S184-L187 PolarHBondContact O-N 3.02Å; L185-L187 VanDerWaalsContact C-N 3.35Å; L187-A189 PolarHBondContact O-N 2.83Å; L187-K190 PolarHBondContact O-N 2.83Å; L187-M191 WeakPolarHBondContact O-CG 3.25Å; L187-M191 PolarHBondContact O-N 3.01Å; L187-Y473 HydrophobicContact CD1-CE1 4.13Å
188A96.4Very high95.2Very high12 Ų1259.8 Ų59.810%0.09932%0.316CS..Hα-helixtrans-58-46175.600000112S184 K190 M191 E192 A245S184-A188 WeakPolarHBondContact O-CB 3.48Å; S184-A188 PolarHBondContact O-N 3.17Å; A188-K190 VanDerWaalsContact C-N 3.25Å; A188-K190 PolarHBondContact O-N 2.88Å; A188-M191 WeakPolarHBondContact O-CA 3.39Å; A188-M191 WeakPolarHBondContact O-CB 3.07Å; A188-M191 PolarHBondContact O-N 2.79Å; A188-E192 PolarHBondContact O-N 2.56Å; A188-A245 HydrophobicContact CB-CB 4.04Å
189A96.5Very high95.7Very high51 Ų5160 Ų6042%0.42132%0.318SS..Hα-helixtrans-60.3-33178.200000113L185 L187 Q193L185-A189 VanDerWaalsContact O-CB 3.29Å; L185-A189 WeakPolarHBondContact O-CB 3.48Å; L185-A189 PolarHBondContact O-N 2.89Å; L187-A189 PolarHBondContact O-N 2.83Å; A189-Q193 WeakPolarHBondContact O-CB 3.19Å; A189-Q193 PolarHBondContact O-N 2.83Å
190K96.2Very high95.9Very high47 Ų4761.4 Ų61.420%0.20433%0.325CS..Hα-helixtrans-69.1-35.1173.7-73.7-172.9173.3-171.40112.4C186 L187 A188 Q193 L194 I267C186-K190 PolarHBondContact O-N 2.91Å; L187-K190 PolarHBondContact O-N 2.83Å; A188-K190 VanDerWaalsContact C-N 3.25Å; A188-K190 PolarHBondContact O-N 2.88Å; K190-Q193 PolarHBondContact O-N 2.74Å; K190-L194 PolarHBondContact O-N 2.61Å; K190-L194 VanDerWaalsContact O-N 3.09Å; K190-I267 HydrophobicContact CB-CD1 3.37Å; K190-I267 HydrophobicContact CD-CD1 4.15Å; K190-I267 HydrophobicContact CG-CD1 4.42Å
191M97.1Very high96.1Very high5 Ų560.6 Ų60.63%0.02531%0.313CS..Hα-helixtrans-66.1-48.9174.8-55.6-174.2-155.100110.5L187 A188 Q193 L194 E195 Q225 G244 A245 I267L187-M191 WeakPolarHBondContact O-CG 3.25Å; L187-M191 PolarHBondContact O-N 3.01Å; A188-M191 WeakPolarHBondContact O-CA 3.39Å; A188-M191 WeakPolarHBondContact O-CB 3.07Å; A188-M191 PolarHBondContact O-N 2.79Å; M191-Q193 VanDerWaalsContact C-N 3.26Å; M191-Q193 PolarHBondContact O-N 2.84Å; M191-L194 PolarHBondContact O-N 3.21Å; M191-E195 WeakPolarHBondContact O-CG 3.36Å; M191-E195 PolarHBondContact O-N 2.71Å; M191-Q225 HydrophobicContact CE-CB 3.54Å; M191-Q225 HydrophobicContact SD-CB 4.44Å; M191-G244 VanDerWaalsContact SD-C 3.59Å; M191-A245 HydrophobicContact CB-CB 4.38Å; M191-A245 HydrophobicContact SD-CB 4.18Å; M191-A245 PolarHBondContact SD-N 2.76Å; M191-A245 VanDerWaalsContact SD-N 3.38Å; M191-I267 HydrophobicContact CB-CG2 4.36Å; M191-I267 HydrophobicContact CG-CD1 4.34Å; M191-I267 HydrophobicContact CG-CG2 4.03Å
192E96.9Very high96.1Very high100 Ų10057.7 Ų57.747%0.46730%0.304SS..Hα-helixtrans-58-38.5176-67.4174.7-175.100112.1A188 E195 Q196A188-E192 PolarHBondContact O-N 2.56Å; E192-E195 PolarHBondContact O-N 2.92Å; E192-Q196 WeakPolarHBondContact O-CG 3.28Å; E192-Q196 PolarHBondContact O-N 2.83Å; E192-Q196 VanDerWaalsContact O-N 3.07Å
193Q96.7Very high96.2Very high73 Ų7355.2 Ų55.234%0.34129%0.29SS..Hα-helixtrans-62-44.7174.3-174.6-177.524.200111.4A189 K190 M191 E195 Q196 L197A189-Q193 WeakPolarHBondContact O-CB 3.19Å; A189-Q193 PolarHBondContact O-N 2.83Å; K190-Q193 PolarHBondContact O-N 2.74Å; M191-Q193 VanDerWaalsContact C-N 3.26Å; M191-Q193 PolarHBondContact O-N 2.84Å; Q193-E195 VanDerWaalsContact C-N 3.34Å; Q193-Q196 PolarHBondContact O-N 2.82Å; Q193-L197 HydrophobicContact CG-CD1 3.97Å; Q193-L197 WeakPolarHBondContact O-CD1 3.33Å; Q193-L197 VanDerWaalsContact O-CG 3.22Å; Q193-L197 WeakPolarHBondContact O-CG 3.48Å; Q193-L197 PolarHBondContact O-N 2.99Å; Q193-L197 VanDerWaalsContact O-N 3.13Å
194L97.3Very high96.3Very high15 Ų1557.6 Ų57.68%0.07931%0.306CS..Hα-helixtrans-64.4-40.6176.7-17863.7000111.2K190 M191 Q196 L197 A198 I267 V288K190-L194 PolarHBondContact O-N 2.61Å; K190-L194 VanDerWaalsContact O-N 3.09Å; M191-L194 PolarHBondContact O-N 3.21Å; L194-Q196 PolarHBondContact O-N 2.77Å; L194-L197 PolarHBondContact O-N 2.93Å; L194-A198 WeakPolarHBondContact O-CB 3.39Å; L194-A198 PolarHBondContact O-N 2.91Å; L194-I267 HydrophobicContact CB-CG2 4.16Å; L194-I267 HydrophobicContact CD2-CB 4.23Å; L194-I267 HydrophobicContact CD2-CG2 3.62Å; L194-I267 WeakPolarHBondContact CD2-O 3.35Å; L194-V288 HydrophobicContact CD1-CB 4.47Å; L194-V288 HydrophobicContact CD1-CG2 3.8Å
195E97.8Very high96.4Very high56 Ų5660.9 Ų60.926%0.26233%0.326SS..Hα-helixtrans-55.8-51.7176.9-71-177.1170.300111.3M191 E192 Q193 L197 A198 L199 F209 C223M191-E195 WeakPolarHBondContact O-CG 3.36Å; M191-E195 PolarHBondContact O-N 2.71Å; E192-E195 PolarHBondContact O-N 2.92Å; Q193-E195 VanDerWaalsContact C-N 3.34Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 3.07Å; E195-A198 PolarHBondContact O-N 3.37Å; E195-L199 WeakPolarHBondContact O-CB 3.38Å; E195-L199 VanDerWaalsContact O-CG 3.27Å; E195-L199 WeakPolarHBondContact O-CG 3.38Å; E195-L199 PolarHBondContact O-N 2.96Å; E195-F209 VanDerWaalsContact CA-CE2 3.43Å; E195-F209 HydrophobicContact CB-CD2 3.59Å; E195-F209 HydrophobicContact CB-CE2 3.68Å; E195-F209 HydrophobicContact CB-CG 4.36Å; E195-F209 HydrophobicContact CG-CB 4.44Å; E195-F209 HydrophobicContact CG-CD1 4.33Å; E195-F209 HydrophobicContact CG-CD2 3.58Å; E195-F209 HydrophobicContact CG-CE2 3.82Å; E195-F209 HydrophobicContact CG-CG 3.85Å; E195-F209 HydrophobicContact CG-CZ 4.29Å; E195-F209 WeakPolarHBondContact O-CE2 3.14Å; E195-C223 HydrophobicContact CG-CB 3.4Å; E195-C223 VanDerWaalsContact CG-CB 3.4Å; E195-C223 WeakPolarHBondContact OE1-CB 3.4Å
196Q97.6Very high96.3Very high137 Ų13759.1 Ų59.164%0.6434%0.335SS*.Hα-helixtrans-59.5-42.4179.6-69.3173.917.900112.2E192 Q193 L194 K200E192-Q196 WeakPolarHBondContact O-CG 3.28Å; E192-Q196 PolarHBondContact O-N 2.83Å; E192-Q196 VanDerWaalsContact O-N 3.07Å; Q193-Q196 PolarHBondContact O-N 2.82Å; L194-Q196 PolarHBondContact O-N 2.77Å; Q196-K200 WeakPolarHBondContact O-CB 3.33Å; Q196-K200 PolarHBondContact O-N 3.12Å
197L97.5Very high96.4Very high31 Ų3159.4 Ų59.416%0.16234%0.338CS..Hα-helixtrans-70.4-42.4179.5-67.7168.2000112Q193 L194 E195 K200 D201 V288Q193-L197 HydrophobicContact CG-CD1 3.97Å; Q193-L197 WeakPolarHBondContact O-CD1 3.33Å; Q193-L197 VanDerWaalsContact O-CG 3.22Å; Q193-L197 WeakPolarHBondContact O-CG 3.48Å; Q193-L197 PolarHBondContact O-N 2.99Å; Q193-L197 VanDerWaalsContact O-N 3.13Å; L194-L197 PolarHBondContact O-N 2.93Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 3.07Å; L197-K200 PolarHBondContact O-N 3.26Å; L197-D201 WeakPolarHBondContact O-CB 3.15Å; L197-D201 PolarHBondContact O-N 3.2Å; L197-V288 HydrophobicContact CB-CB 4.16Å; L197-V288 HydrophobicContact CB-CG1 4.36Å; L197-V288 HydrophobicContact CB-CG2 3.98Å
198A97.6Very high96.5Very high2 Ų265.3 Ų65.32%0.01736%0.363CS..Hα-helixtrans-65.2-44.4-179.300000111L194 E195 K200 V202 L203 F209 A269 V288L194-A198 WeakPolarHBondContact O-CB 3.39Å; L194-A198 PolarHBondContact O-N 2.91Å; E195-A198 PolarHBondContact O-N 3.37Å; A198-K200 PolarHBondContact O-N 3.4Å; A198-V202 PolarHBondContact O-N 3.4Å; A198-L203 HydrophobicContact CB-CD1 4.18Å; A198-L203 HydrophobicContact CB-CG 4.19Å; A198-L203 WeakPolarHBondContact O-CB 3.41Å; A198-L203 WeakPolarHBondContact O-CG 3.48Å; A198-L203 PolarHBondContact O-N 3.13Å; A198-F209 HydrophobicContact CB-CE2 4.27Å; A198-F209 HydrophobicContact CB-CZ 4.03Å; A198-A269 HydrophobicContact CB-CB 4.44Å; A198-V288 HydrophobicContact CB-CG2 4.28Å
199L98Very high96.5Very high68 Ų6866.2 Ų66.236%0.35637%0.365SS..Hα-helixtrans-58.8-34.5175-72.1174.6000112.9E195 L203 S207 F209E195-L199 WeakPolarHBondContact O-CB 3.38Å; E195-L199 VanDerWaalsContact O-CG 3.27Å; E195-L199 WeakPolarHBondContact O-CG 3.38Å; E195-L199 PolarHBondContact O-N 2.96Å; L199-L203 HydrophobicContact CD2-CD1 4.21Å; L199-S207 WeakPolarHBondContact CD2-O 3.43Å; L199-F209 HydrophobicContact CD1-CD2 4.09Å; L199-F209 HydrophobicContact CD1-CE2 4.37Å; L199-F209 HydrophobicContact CD2-CD2 4.1Å; L199-F209 HydrophobicContact CD2-CE2 4.05Å; L199-F209 HydrophobicContact CG-CD2 3.94Å; L199-F209 HydrophobicContact CG-CE2 3.78Å
200K96.5Very high96.5Very high162 Ų16264.9 Ų64.970%0.70435%0.352SS*.Hα-helixtrans-81.5-46.2-176.7-172.3-166.5168.1-164.30112.7Q196 L197 A198Q196-K200 WeakPolarHBondContact O-CB 3.33Å; Q196-K200 PolarHBondContact O-N 3.12Å; L197-K200 PolarHBondContact O-N 3.26Å; A198-K200 PolarHBondContact O-N 3.4Å
201D94.9Very high96.5Very high87 Ų8769 Ų6947%0.46537%0.366SS..Hα-helixtrans-114.1-14.4-161.2-60-33.2000113.7L197 V288L197-D201 WeakPolarHBondContact O-CB 3.15Å; L197-D201 PolarHBondContact O-N 3.2Å; D201-V288 HydrophobicContact CB-CG1 4.04Å
202V94.3Very high96.3Very high61 Ų6169.1 Ų69.137%0.3737%0.367SS..THydrogen-bonded Turntrans-129.8-42.9-170.3-179.70000113.7A198 Y285 V288A198-V202 PolarHBondContact O-N 3.4Å; V202-Y285 HydrophobicContact CG1-CD1 3.49Å; V202-Y285 VanDerWaalsContact CG1-CD1 3.49Å; V202-Y285 HydrophobicContact CG1-CE1 3.87Å; V202-Y285 HydrophobicContact CG1-CG 4.37Å; V202-V288 HydrophobicContact CG2-CB 4.45Å; V202-V288 HydrophobicContact CG2-CG1 4.08Å; V202-V288 HydrophobicContact CG2-CG2 3.77Å
203L96Very high96.1Very high13 Ų1366.2 Ų66.27%0.06836%0.364CS..SBendtrans-84.7155.6-173.7-60.3-174.5000112A198 L199 F209 Y221 Y285A198-L203 HydrophobicContact CB-CD1 4.18Å; A198-L203 HydrophobicContact CB-CG 4.19Å; A198-L203 WeakPolarHBondContact O-CB 3.41Å; A198-L203 WeakPolarHBondContact O-CG 3.48Å; A198-L203 PolarHBondContact O-N 3.13Å; L199-L203 HydrophobicContact CD2-CD1 4.21Å; L203-F209 HydrophobicContact CD1-CE1 4.34Å; L203-F209 HydrophobicContact CD1-CE2 3.96Å; L203-F209 HydrophobicContact CD1-CZ 3.62Å; L203-Y221 HydrophobicContact CD1-CD1 3.88Å; L203-Y221 HydrophobicContact CD1-CE1 4.12Å; L203-Y221 HydrophobicContact CD1-CG 4.21Å; L203-Y221 HydrophobicContact CD2-CD1 4.01Å; L203-Y221 HydrophobicContact CD2-CE1 3.55Å; L203-Y221 HydrophobicContact CG-CE1 4.37Å; L203-Y285 HydrophobicContact CD2-CD1 4.31Å; L203-Y285 HydrophobicContact CD2-CD2 4.01Å; L203-Y285 HydrophobicContact CD2-CE1 4.03Å; L203-Y285 HydrophobicContact CD2-CE2 3.74Å; L203-Y285 HydrophobicContact CD2-CG 4.29Å
204P95.6Very high96.1Very high66 Ų6665.5 Ų65.543%0.42936%0.364SS..PPolyproline II helixtrans-56.7145.2176.5-2534000112.6G206 S207 Y221P204-G206 PolarHBondContact O-N 3.14Å; P204-S207 WeakPolarHBondContact CD-OG 3.36Å; P204-S207 VanDerWaalsContact O-CB 3.24Å; P204-S207 WeakPolarHBondContact O-CB 3.45Å; P204-S207 PolarHBondContact O-N 3.3Å; P204-S207 VanDerWaalsContact O-N 3.09Å; P204-S207 PolarHBondContact O-OG 2.96Å; P204-Y221 WeakPolarHBondContact CD-OH 3.4Å
205P95.5Very high96Very high134 Ų13469.4 Ų69.487%0.8739%0.389SS*.THydrogen-bonded Turntrans-54.4135.4175.3-2533.9000112.2S207P205-S207 VanDerWaalsContact C-N 3.3Å
206G94.6Very high95.6Very high78 Ų7868 Ų6880%0.80439%0.385SS*.THydrogen-bonded Turntrans83.5-0.9-178.100000115P204P204-G206 PolarHBondContact O-N 3.14Å
207S96.7Very high95.2Very high28 Ų2869.3 Ų69.320%0.19640%0.396CS..  trans-60.9154.6168.8-57.90000110.9L199 P204 P205L199-S207 WeakPolarHBondContact CD2-O 3.43Å; P204-S207 WeakPolarHBondContact CD-OG 3.36Å; P204-S207 VanDerWaalsContact O-CB 3.24Å; P204-S207 WeakPolarHBondContact O-CB 3.45Å; P204-S207 PolarHBondContact O-N 3.3Å; P204-S207 VanDerWaalsContact O-N 3.09Å; P204-S207 PolarHBondContact O-OG 2.96Å; P205-S207 VanDerWaalsContact C-N 3.3Å
208F96.8Very high95.1Very high145 Ų14573.9 Ų73.964%0.63642%0.421SS*.  trans-147.3153.5172.563.2-87.3000109.7
209F97.4Very high95.1Very high32 Ų3276.6 Ų76.614%0.1444%0.44CS..BIsolated β-bridgetrans-84.6133.5174.6-74.7-78.7000110.8E195 A198 L199 L203 C223 A269E195-F209 VanDerWaalsContact CA-CE2 3.43Å; E195-F209 HydrophobicContact CB-CD2 3.59Å; E195-F209 HydrophobicContact CB-CE2 3.68Å; E195-F209 HydrophobicContact CB-CG 4.36Å; E195-F209 HydrophobicContact CG-CB 4.44Å; E195-F209 HydrophobicContact CG-CD1 4.33Å; E195-F209 HydrophobicContact CG-CD2 3.58Å; E195-F209 HydrophobicContact CG-CE2 3.82Å; E195-F209 HydrophobicContact CG-CG 3.85Å; E195-F209 HydrophobicContact CG-CZ 4.29Å; E195-F209 WeakPolarHBondContact O-CE2 3.14Å; A198-F209 HydrophobicContact CB-CE2 4.27Å; A198-F209 HydrophobicContact CB-CZ 4.03Å; L199-F209 HydrophobicContact CD1-CD2 4.09Å; L199-F209 HydrophobicContact CD1-CE2 4.37Å; L199-F209 HydrophobicContact CD2-CD2 4.1Å; L199-F209 HydrophobicContact CD2-CE2 4.05Å; L199-F209 HydrophobicContact CG-CD2 3.94Å; L199-F209 HydrophobicContact CG-CE2 3.78Å; L203-F209 HydrophobicContact CD1-CE1 4.34Å; L203-F209 HydrophobicContact CD1-CE2 3.96Å; L203-F209 HydrophobicContact CD1-CZ 3.62Å; F209-C223 HydrophobicContact CD1-CB 3.81Å; F209-C223 HydrophobicContact CE1-CB 3.72Å; F209-C223 HydrophobicContact CG-CB 4.45Å; F209-C223 HydrophobicContact CZ-CB 4.3Å; F209-A269 HydrophobicContact CE1-CB 3.63Å; F209-A269 HydrophobicContact CZ-CB 3.62Å
210S96.6Very high95Very high22 Ų2274.3 Ų74.315%0.15443%0.428CS..PPolyproline II helixtrans-94.7156.1170.5-66.90000110.1L212 Y221S210-L212 PolarHBondContact O-N 3.13Å; S210-Y221 PolarHBondContact N-O 2.8Å
211R94.8Very high95.1Very high135 Ų13568.1 Ų68.151%0.50940%0.4SS..PPolyproline II helixtrans-61.9134.8174.1-175.8178.2-179.6131.11.4110.3G213 T214 D248R211-G213 PolarHBondContact O-N 3.44Å; R211-G213 VanDerWaalsContact O-N 3.16Å; R211-T214 WeakPolarHBondContact O-CB 3.02Å; R211-T214 PolarHBondContact O-N 3.18Å; R211-T214 PolarHBondContact O-OG1 3.08Å; R211-D248 IonicContact CZ-OD1 2.79Å; R211-D248 IonicContact CZ-OD2 3.28Å; R211-D248 IonicContact NE-OD1 3.07Å; R211-D248 IonicContact NE-OD2 2.86Å; R211-D248 PolarHBondContact NE-OD2 2.87Å; R211-D248 VanDerWaalsContact NH2-CG 3.26Å; R211-D248 IonicContact NH2-OD1 3.79Å; R211-D248 PolarHBondContact NH2-OD1 2.99Å; R211-D248 IonicContact NH2-OD2 3.32Å; R211-D248 PolarHBondContact NH2-OD2 2.76Å
212L93.7Very high95.2Very high7 Ų764 Ų644%0.03738%0.378CS..THydrogen-bonded Turntrans-60.9116.4170.1-171.172.4000109.7S210 V222 I242 D248 L250S210-L212 PolarHBondContact O-N 3.13Å; L212-V222 HydrophobicContact CD1-CB 4.06Å; L212-V222 HydrophobicContact CD1-CG1 4.28Å; L212-V222 HydrophobicContact CD1-CG2 3.99Å; L212-I242 HydrophobicContact CD1-CG2 3.77Å; L212-I242 HydrophobicContact CD2-CG1 4.47Å; L212-I242 HydrophobicContact CD2-CG2 4.11Å; L212-I242 VanDerWaalsContact CD2-O 3.27Å; L212-I242 WeakPolarHBondContact CD2-O 3.47Å; L212-D248 HydrophobicContact CB-CB 4.47Å; L212-D248 HydrophobicContact CD2-CB 4.44Å; L212-D248 WeakPolarHBondContact CD2-O 3.47Å; L212-L250 HydrophobicContact CD1-CD1 3.82Å; L212-L250 HydrophobicContact CD1-CG 4.38Å; L212-L250 HydrophobicContact CD2-CG 4.48Å; L212-L250 HydrophobicContact CG-CD1 3.88Å; L212-L250 HydrophobicContact CG-CG 4.09Å
213G93.3Very high95.4Very high39 Ų3961.3 Ų61.340%0.40236%0.362SS..THydrogen-bonded Turntrans117.5-11.6-172.500000114.3R211 V215R211-G213 PolarHBondContact O-N 3.44Å; R211-G213 VanDerWaalsContact O-N 3.16Å; G213-V215 PolarHBondContact O-N 3.28Å; G213-V215 VanDerWaalsContact O-N 3.12Å
214T95.4Very high95.5Very high57 Ų5760.7 Ų60.735%0.3536%0.359SS..  trans-60.1114.7171.2-54.20000109.5R211 I220R211-T214 WeakPolarHBondContact O-CB 3.02Å; R211-T214 PolarHBondContact O-N 3.18Å; R211-T214 PolarHBondContact O-OG1 3.08Å; T214-I220 HydrophobicContact CG2-CD1 4.14Å
215V94.8Very high95.5Very high97 Ų9757.7 Ų57.759%0.58834%0.339SS*.  trans-83122.7171.5-179.50000107.7G213 G274G213-V215 PolarHBondContact O-N 3.28Å; G213-V215 VanDerWaalsContact O-N 3.12Å; V215-G274 WeakPolarHBondContact CA-O 3.13Å
216S91Very high95.5Very high28 Ų2851.3 Ų51.320%0.19630%0.298CS..  trans-150.3136.3-174.5176.70000109.9D218 G274S216-D218 VanDerWaalsContact C-N 3.31Å; S216-D218 WeakPolarHBondContact CB-O 3.28Å; S216-D218 PolarHBondContact OG-N 3.02Å; S216-D218 VanDerWaalsContact OG-N 3.09Å; S216-D218 PolarHBondContact OG-O 2.85Å; S216-G274 PolarHBondContact N-O 2.84Å; S216-G274 VanDerWaalsContact N-O 3.16Å
217D89.2Confident95.4Very high163 Ų16349.1 Ų49.187%0.87227%0.268SS*.SBendtrans-74-29169.2-66-30.2000110.9
218D94.7Very high94.7Very high127 Ų12748.4 Ų48.468%0.67926%0.263SS*.SBendtrans-78149173.4-65.5-38.3000111.3S216S216-D218 VanDerWaalsContact C-N 3.31Å; S216-D218 WeakPolarHBondContact CB-O 3.28Å; S216-D218 PolarHBondContact OG-N 3.02Å; S216-D218 VanDerWaalsContact OG-N 3.09Å; S216-D218 PolarHBondContact OG-O 2.85Å
219S96.5Very high93.6Very high59 Ų5946.3 Ų46.341%0.41326%0.261SS..  trans-73132.7174.3-61.40000111.3H271 G272S219-H271 WeakPolarHBondContact CB-CE1 3.44Å; S219-H271 VanDerWaalsContact CB-NE2 3.34Å; S219-H271 WeakPolarHBondContact CB-NE2 3.31Å; S219-G272 CarbonylContact C-O 3.57Å; S219-G272 VanDerWaalsContact CA-O 3.26Å; S219-G272 WeakPolarHBondContact CA-O 3.34Å
220I97.4Very high92.4Very high20 Ų2051.3 Ų51.310%0.10328%0.283CS..EExtended strand (participates in β ladder)trans-126.4158.1-177.759.1175000110.4T214 V222 H271 G272 F279T214-I220 HydrophobicContact CG2-CD1 4.14Å; I220-V222 HydrophobicContact CD1-CG1 4.25Å; I220-V222 HydrophobicContact CG1-CG1 4.45Å; I220-H271 WeakPolarHBondContact O-CA 3.36Å; I220-G272 PolarHBondContact N-O 3.24Å; I220-G272 PolarHBondContact O-N 2.73Å; I220-F279 HydrophobicContact CD1-CE2 4.1Å; I220-F279 HydrophobicContact CG1-CE2 3.87Å; I220-F279 HydrophobicContact CG1-CZ 4.19Å
221Y98Very high90.9Very high32 Ų3252 Ų5213%0.12529%0.294CS..EExtended strand (participates in β ladder)trans-92.2134.2168.4-66.3-84.2000110.3L203 P204 S210 V270 H271 Y285L203-Y221 HydrophobicContact CD1-CD1 3.88Å; L203-Y221 HydrophobicContact CD1-CE1 4.12Å; L203-Y221 HydrophobicContact CD1-CG 4.21Å; L203-Y221 HydrophobicContact CD2-CD1 4.01Å; L203-Y221 HydrophobicContact CD2-CE1 3.55Å; L203-Y221 HydrophobicContact CG-CE1 4.37Å; P204-Y221 WeakPolarHBondContact CD-OH 3.4Å; S210-Y221 PolarHBondContact N-O 2.8Å; Y221-V270 CarbonylContact C-O 3.59Å; Y221-V270 WeakPolarHBondContact CA-O 3.46Å; Y221-H271 HydrophobicContact CD1-CB 3.84Å; Y221-H271 AromaticContact CD1-CD2 3.96Å; Y221-H271 HydrophobicContact CE1-CB 3.63Å; Y221-H271 AromaticContact CE1-CD2 3.62Å; Y221-H271 AromaticContact CE1-CG 3.9Å; Y221-H271 AromaticContact CE2-CD2 3.69Å; Y221-H271 AromaticContact CZ-CD2 3.47Å; Y221-H271 VanDerWaalsContact CZ-CD2 3.47Å; Y221-Y285 AromaticContact CE1-CE2 3.96Å; Y221-Y285 HydrophobicContact CE1-CE2 3.96Å
222V97.6Very high89.7Confident0 Ų046.7 Ų46.70%028%0.277CS..EExtended strand (participates in β ladder)trans-126.6149.3169-61.50000109.1L212 I220 I242 A269 V270 F279L212-V222 HydrophobicContact CD1-CB 4.06Å; L212-V222 HydrophobicContact CD1-CG1 4.28Å; L212-V222 HydrophobicContact CD1-CG2 3.99Å; I220-V222 HydrophobicContact CD1-CG1 4.25Å; I220-V222 HydrophobicContact CG1-CG1 4.45Å; V222-I242 HydrophobicContact CG2-CD1 4.46Å; V222-A269 CarbonylContact O-C 3.54Å; V222-A269 WeakPolarHBondContact O-CA 3.48Å; V222-V270 HydrophobicContact CG2-CB 4.03Å; V222-V270 PolarHBondContact N-O 3.23Å; V222-V270 PolarHBondContact O-N 3.24Å; V222-F279 HydrophobicContact CB-CE2 4.36Å; V222-F279 HydrophobicContact CB-CZ 4.43Å; V222-F279 HydrophobicContact CG1-CD2 4.23Å; V222-F279 HydrophobicContact CG1-CE2 3.59Å; V222-F279 HydrophobicContact CG1-CZ 4.01Å; V222-F279 HydrophobicContact CG2-CD1 4.15Å; V222-F279 HydrophobicContact CG2-CD2 4.14Å; V222-F279 HydrophobicContact CG2-CE1 3.8Å; V222-F279 HydrophobicContact CG2-CE2 3.79Å; V222-F279 HydrophobicContact CG2-CG 4.31Å; V222-F279 HydrophobicContact CG2-CZ 3.6Å
223C97.9Very high88.9Confident5 Ų546.4 Ų46.43%0.03428%0.276CS..EExtended strand (participates in β ladder)trans-119.1141.5171.4-171.10000109.3E195 F209 A268E195-C223 HydrophobicContact CG-CB 3.4Å; E195-C223 VanDerWaalsContact CG-CB 3.4Å; E195-C223 WeakPolarHBondContact OE1-CB 3.4Å; F209-C223 HydrophobicContact CD1-CB 3.81Å; F209-C223 HydrophobicContact CE1-CB 3.72Å; F209-C223 HydrophobicContact CG-CB 4.45Å; F209-C223 HydrophobicContact CZ-CB 4.3Å; C223-A268 WeakPolarHBondContact CA-O 3.43Å; C223-A268 PolarHBondContact SG-O 3.5Å; C223-A268 VanDerWaalsContact SG-O 3.4Å
224G97.7Very high87.7Confident0 Ų050.2 Ų50.20%028%0.278CS..EExtended strand (participates in β ladder)trans-172.3172.1178.500000113.5Q243 I267 A268G224-Q243 CarbonylContact C-O 3.58Å; G224-Q243 WeakPolarHBondContact CA-O 3.09Å; G224-I267 WeakPolarHBondContact O-CA 3.49Å; G224-A268 PolarHBondContact N-O 2.95Å; G224-A268 PolarHBondContact O-N 2.87Å
225Q96.5Very high86.4Confident4 Ų454 Ų542%0.01930%0.296CS..EExtended strand (participates in β ladder)trans-95.2132.3175.3-174.2171.240.200110.4M191 I242 Q243 G265 Q266 I267M191-Q225 HydrophobicContact CE-CB 3.54Å; M191-Q225 HydrophobicContact SD-CB 4.44Å; Q225-I242 CarbonylContact O-C 3.32Å; Q225-I242 WeakPolarHBondContact O-CA 3.5Å; Q225-Q243 PolarHBondContact N-O 2.96Å; Q225-Q243 PolarHBondContact O-N 3.15Å; Q225-G265 WeakPolarHBondContact CG-O 3.05Å; Q225-G265 PolarHBondContact NE2-O 2.88Å; Q225-Q266 CarbonylContact C-O 3.59Å; Q225-Q266 WeakPolarHBondContact CA-O 3.45Å; Q225-I267 HydrophobicContact CB-CG1 4.28Å; Q225-I267 HydrophobicContact CG-CG1 4.29Å
226L95.6Very high85.2Confident0 Ų052.2 Ų52.20%028%0.283CS..EExtended strand (participates in β ladder)trans-78.2135.4177.2-56.6-172.6000110.8F233 L240 S241 I242 L252 L262 G265 Q266 F284L226-F233 HydrophobicContact CB-CE2 4.44Å; L226-F233 HydrophobicContact CB-CZ 4Å; L226-L240 HydrophobicContact CB-CD1 4.31Å; L226-L240 HydrophobicContact CD1-CD1 4.36Å; L226-S241 WeakPolarHBondContact CA-O 3.46Å; L226-I242 HydrophobicContact CD2-CB 4.19Å; L226-I242 HydrophobicContact CD2-CD1 4.38Å; L226-I242 HydrophobicContact CD2-CG1 4.26Å; L226-L252 HydrophobicContact CD2-CD2 3.54Å; L226-L262 HydrophobicContact CD1-CD2 3.56Å; L226-G265 PolarHBondContact O-N 3.16Å; L226-Q266 HydrophobicContact CB-CB 4.45Å; L226-Q266 HydrophobicContact CD1-CB 4.19Å; L226-Q266 HydrophobicContact CD1-CG 4.48Å; L226-Q266 HydrophobicContact CG-CB 4.38Å; L226-Q266 WeakPolarHBondContact CG-O 3.5Å; L226-Q266 PolarHBondContact N-O 3.26Å; L226-F284 HydrophobicContact CD1-CE2 3.99Å; L226-F284 HydrophobicContact CD1-CZ 3.89Å
227L91.1Very high84.2Confident32 Ų3254.2 Ų54.217%0.16830%0.295CS..EExtended strand (participates in β ladder)trans-139.5152.5-178.4-60.5171.3000109.8S241 Q243 L249 Y473L227-S241 PolarHBondContact N-O 3.33Å; L227-S241 PolarHBondContact O-N 3.09Å; L227-Q243 HydrophobicContact CD1-CB 3.59Å; L227-Q243 HydrophobicContact CD1-CG 4.35Å; L227-Q243 HydrophobicContact CG-CB 4.46Å; L227-L249 HydrophobicContact CD1-CD1 4.04Å; L227-Y473 HydrophobicContact CD2-CD1 4.49Å
228S82.7Confident83.3Confident13 Ų1353.5 Ų53.59%0.09129%0.291CS..  trans-111.4143.6160163.50000108.1F230 G231 C232 D239S228-F230 PolarHBondContact O-N 3.35Å; S228-F230 PolarHBondContact OG-N 2.72Å; S228-G231 PolarHBondContact O-N 2.77Å; S228-G231 VanDerWaalsContact O-N 3.08Å; S228-C232 PolarHBondContact OG-O 3.08Å; S228-D239 PolarHBondContact OG-OD2 3.2Å
229V72.9Confident82.6Confident100 Ų10048.9 Ų48.961%0.60627%0.266SS*.THydrogen-bonded Turntrans-66.9-17.9172.8-72.70000112.1D239V229-D239 VanDerWaalsContact CG2-CG 3.48Å; V229-D239 WeakPolarHBondContact CG2-OD1 3.35Å; V229-D239 WeakPolarHBondContact CG2-OD2 3.23Å; V229-D239 PolarHBondContact N-OD2 3.07Å
230F72.1Confident82.4Confident138 Ų13846.4 Ų46.461%0.60525%0.248SC*.THydrogen-bonded Turntrans-94.7-2.6173.5-56.1-70.7000113.6S228 C232 N236 D239S228-F230 PolarHBondContact O-N 3.35Å; S228-F230 PolarHBondContact OG-N 2.72Å; F230-C232 PolarHBondContact O-N 3.17Å; F230-N236 HydrophobicContact CD2-CB 4.36Å; F230-D239 HydrophobicContact CD2-CB 4.25Å; F230-D239 VanDerWaalsContact CD2-OD2 3.25Å; F230-D239 WeakPolarHBondContact CD2-OD2 3.23Å; F230-D239 HydrophobicContact CE2-CB 4.33Å
231G66.3Low82.2Confident36 Ų3646 Ų4637%0.37125%0.247SC..SBendtrans77.3-7.3179.100000115.6S228S228-G231 PolarHBondContact O-N 2.77Å; S228-G231 VanDerWaalsContact O-N 3.08Å
232C69.9Low82.1Confident24 Ų2444.5 Ų44.516%0.16224%0.241CC..  trans-136.4138.217763.30000110.8S228 F230 D235 E444S228-C232 PolarHBondContact OG-O 3.08Å; F230-C232 PolarHBondContact O-N 3.17Å; C232-D235 PolarHBondContact SG-OD2 2.83Å; C232-E444 WeakPolarHBondContact CA-OE2 3.48Å; C232-E444 VanDerWaalsContact CB-OE2 3.25Å; C232-E444 WeakPolarHBondContact CB-OE2 3.33Å
233F75.7Confident82Confident1 Ų147.1 Ų47.10%0.00425%0.253CS..SBendtrans-84.1-27.8178.1-68.5-30.5000113.2L226 D235 N236 P237 L240 L262 F263 P264 I446L226-F233 HydrophobicContact CB-CE2 4.44Å; L226-F233 HydrophobicContact CB-CZ 4Å; F233-D235 VanDerWaalsContact C-N 3.33Å; F233-D235 PolarHBondContact O-N 3.33Å; F233-N236 CarbonylContact O-C 3.5Å; F233-N236 PolarHBondContact O-N 2.89Å; F233-P237 VanDerWaalsContact O-CA 3.28Å; F233-P237 WeakPolarHBondContact O-CA 3.42Å; F233-L240 HydrophobicContact CD1-CD1 4.35Å; F233-L240 HydrophobicContact CE1-CD1 3.57Å; F233-L240 HydrophobicContact CE2-CD1 4.04Å; F233-L240 HydrophobicContact CZ-CD1 3.42Å; F233-L240 VanDerWaalsContact CZ-CD1 3.42Å; F233-L262 HydrophobicContact CD2-CB 4.28Å; F233-L262 HydrophobicContact CE2-CB 4.28Å; F233-F263 WeakPolarHBondContact CE2-O 3.46Å; F233-P264 HydrophobicContact CD1-CG 4.5Å; F233-P264 HydrophobicContact CD2-CG 3.96Å; F233-P264 HydrophobicContact CE2-CG 4.11Å; F233-P264 VanDerWaalsContact CE2-N 3.29Å; F233-P264 HydrophobicContact CG-CG 4.14Å; F233-P264 HydrophobicContact CZ-CG 4.38Å; F233-I446 HydrophobicContact CB-CD1 3.92Å; F233-I446 HydrophobicContact CB-CG1 4.07Å; F233-I446 HydrophobicContact CB-CG2 3.89Å; F233-I446 HydrophobicContact CD2-CG1 4.41Å; F233-I446 HydrophobicContact CG-CD1 4.39Å
234R68.5Low81.9Confident119 Ų11947.1 Ų47.145%0.44925%0.254SS..SBendtrans-63.1-38.4-172.2-171.6-175.3-77.3-154.21.7112.7S442 A443R234-S442 PolarHBondContact NH2-O 3.25Å; R234-A443 PolarHBondContact NE-O 3.24Å; R234-A443 PolarHBondContact NH2-O 2.96Å
235D68.8Low81.8Confident137 Ų13748.8 Ų48.873%0.73327%0.268SS*.SBendtrans-77.7-24.5-177.5-67.5-15000112.5C232 F233C232-D235 PolarHBondContact SG-OD2 2.83Å; F233-D235 VanDerWaalsContact C-N 3.33Å; F233-D235 PolarHBondContact O-N 3.33Å
236N70Confident81.6Confident59 Ų5954.5 Ų54.532%0.31630%0.298SS..  trans-14878.4179.1-162-14000111.4F230 F233 L238 D239F230-N236 HydrophobicContact CD2-CB 4.36Å; F233-N236 CarbonylContact O-C 3.5Å; F233-N236 PolarHBondContact O-N 2.89Å; N236-L238 PolarHBondContact O-N 2.82Å; N236-D239 HydrophobicContact CB-CB 4.02Å; N236-D239 WeakPolarHBondContact O-CB 3.27Å; N236-D239 PolarHBondContact O-N 3.31Å
237P68.5Low81.3Confident69 Ų6956.4 Ų56.445%0.44832%0.317SS..THydrogen-bonded Turntrans-66.1-12.3-174.625.9-35.3000113.8F233 I446F233-P237 VanDerWaalsContact O-CA 3.28Å; F233-P237 WeakPolarHBondContact O-CA 3.42Å; P237-I446 HydrophobicContact CB-CD1 3.84Å
238L70.3Confident81.4Confident149 Ų14957.2 Ų57.278%0.7832%0.322SS*.THydrogen-bonded Turntrans-87.1-13.7175.2-63.5174.4000112.8N236 L240N236-L238 PolarHBondContact O-N 2.82Å; L238-L240 VanDerWaalsContact C-N 3.31Å; L238-L240 PolarHBondContact O-N 2.91Å; L238-L240 VanDerWaalsContact O-N 3.16Å
239D81.5Confident82Confident29 Ų2960.7 Ų60.716%0.15534%0.339CS..  trans-88.271.6176.7-178.248.3000110.9S228 V229 F230 N236S228-D239 PolarHBondContact OG-OD2 3.2Å; V229-D239 VanDerWaalsContact CG2-CG 3.48Å; V229-D239 WeakPolarHBondContact CG2-OD1 3.35Å; V229-D239 WeakPolarHBondContact CG2-OD2 3.23Å; V229-D239 PolarHBondContact N-OD2 3.07Å; F230-D239 HydrophobicContact CD2-CB 4.25Å; F230-D239 VanDerWaalsContact CD2-OD2 3.25Å; F230-D239 WeakPolarHBondContact CD2-OD2 3.23Å; F230-D239 HydrophobicContact CE2-CB 4.33Å; N236-D239 HydrophobicContact CB-CB 4.02Å; N236-D239 WeakPolarHBondContact O-CB 3.27Å; N236-D239 PolarHBondContact O-N 3.31Å
240L91.5Very high83Confident8 Ų856.7 Ų56.74%0.04231%0.314CS..  trans-110123.2178-17266.2000110.2L226 F233 L238 L252 L254 L262L226-L240 HydrophobicContact CB-CD1 4.31Å; L226-L240 HydrophobicContact CD1-CD1 4.36Å; F233-L240 HydrophobicContact CD1-CD1 4.35Å; F233-L240 HydrophobicContact CE1-CD1 3.57Å; F233-L240 HydrophobicContact CE2-CD1 4.04Å; F233-L240 HydrophobicContact CZ-CD1 3.42Å; F233-L240 VanDerWaalsContact CZ-CD1 3.42Å; L238-L240 VanDerWaalsContact C-N 3.31Å; L238-L240 PolarHBondContact O-N 2.91Å; L238-L240 VanDerWaalsContact O-N 3.16Å; L240-L252 HydrophobicContact CD2-CB 4.13Å; L240-L252 HydrophobicContact CD2-CD2 3.75Å; L240-L252 HydrophobicContact CD2-CG 4.01Å; L240-L252 HydrophobicContact CG-CB 4.04Å; L240-L252 HydrophobicContact CG-CD2 4.15Å; L240-L252 HydrophobicContact CG-CG 4.42Å; L240-L252 PolarHBondContact O-N 3.36Å; L240-L254 HydrophobicContact CD2-CD1 3.28Å; L240-L254 HydrophobicContact CD2-CG 3.69Å; L240-L262 HydrophobicContact CD2-CD1 4.02Å
241S94.3Very high84.1Confident11 Ų1155.1 Ų55.18%0.07731%0.307CS..EExtended strand (participates in β ladder)trans-123.8155.8172.1-620000110.6L226 L227 L250L226-S241 WeakPolarHBondContact CA-O 3.46Å; L227-S241 PolarHBondContact N-O 3.33Å; L227-S241 PolarHBondContact O-N 3.09Å; S241-L250 CarbonylContact C-O 3.18Å; S241-L250 WeakPolarHBondContact CA-O 3.48Å; S241-L250 WeakPolarHBondContact CB-O 3.48Å
242I95.7Very high85.5Confident0 Ų053.7 Ų53.70%029%0.291CS..EExtended strand (participates in β ladder)trans-120.3132.8173.2-175.1167.1000108.7L212 V222 Q225 L226 L249 L250 L252 V270L212-I242 HydrophobicContact CD1-CG2 3.77Å; L212-I242 HydrophobicContact CD2-CG1 4.47Å; L212-I242 HydrophobicContact CD2-CG2 4.11Å; L212-I242 VanDerWaalsContact CD2-O 3.27Å; L212-I242 WeakPolarHBondContact CD2-O 3.47Å; V222-I242 HydrophobicContact CG2-CD1 4.46Å; Q225-I242 CarbonylContact O-C 3.32Å; Q225-I242 WeakPolarHBondContact O-CA 3.5Å; L226-I242 HydrophobicContact CD2-CB 4.19Å; L226-I242 HydrophobicContact CD2-CD1 4.38Å; L226-I242 HydrophobicContact CD2-CG1 4.26Å; I242-L249 WeakPolarHBondContact O-CA 3Å; I242-L250 HydrophobicContact CG2-CB 4.34Å; I242-L250 PolarHBondContact N-O 2.9Å; I242-L250 PolarHBondContact O-N 3.31Å; I242-L252 HydrophobicContact CB-CB 4.39Å; I242-L252 HydrophobicContact CB-CD2 4.28Å; I242-L252 HydrophobicContact CG2-CB 4.17Å; I242-L252 HydrophobicContact CG2-CD1 4.4Å; I242-V270 HydrophobicContact CD1-CG2 3.95Å
243Q95.4Very high86.6Confident55 Ų5554.6 Ų54.626%0.25729%0.294SS..EExtended strand (participates in β ladder)trans-110.7130175.9-174.3179.83500110.6G224 Q225 L227 D248 L249G224-Q243 CarbonylContact C-O 3.58Å; G224-Q243 WeakPolarHBondContact CA-O 3.09Å; Q225-Q243 PolarHBondContact N-O 2.96Å; Q225-Q243 PolarHBondContact O-N 3.15Å; L227-Q243 HydrophobicContact CD1-CB 3.59Å; L227-Q243 HydrophobicContact CD1-CG 4.35Å; L227-Q243 HydrophobicContact CG-CB 4.46Å; Q243-D248 CarbonylContact C-O 3.58Å; Q243-D248 WeakPolarHBondContact CA-O 3.46Å; Q243-D248 WeakPolarHBondContact CG-O 3.48Å; Q243-L249 HydrophobicContact CB-CD1 3.94Å
244G96Very high87.5Confident5 Ų555.1 Ų55.15%0.05230%0.297CS..  trans-85.7167.6175.800000112.5M191 L246 G247 D248M191-G244 VanDerWaalsContact SD-C 3.59Å; G244-L246 PolarHBondContact O-N 3.1Å; G244-G247 PolarHBondContact O-N 3.18Å; G244-D248 PolarHBondContact N-O 2.85Å
245A93.6Very high88.5Confident35 Ų3553.6 Ų53.629%0.28931%0.305SS..THydrogen-bonded Turntrans-57.8-24.7-178.300000114.2A188 M191A188-A245 HydrophobicContact CB-CB 4.04Å; M191-A245 HydrophobicContact CB-CB 4.38Å; M191-A245 HydrophobicContact SD-CB 4.18Å; M191-A245 PolarHBondContact SD-N 2.76Å; M191-A245 VanDerWaalsContact SD-N 3.38Å
246L92.4Very high89.7Confident124 Ų12452.8 Ų52.865%0.64930%0.3SS*.THydrogen-bonded Turntrans-92.76.4178.8-59.6177.3000113.6G244G244-L246 PolarHBondContact O-N 3.1Å
247G91Very high90.8Very high40 Ų4050.7 Ų50.741%0.41229%0.289SS..SBendtrans87.4-2.2177.300000115.2G244G244-G247 PolarHBondContact O-N 3.18Å
248D93Very high91.9Very high49 Ų4952 Ų5226%0.26230%0.3SS..  trans-57.6138.6172.1-53.7-51000109.7R211 L212 Q243 G244R211-D248 IonicContact CZ-OD1 2.79Å; R211-D248 IonicContact CZ-OD2 3.28Å; R211-D248 IonicContact NE-OD1 3.07Å; R211-D248 IonicContact NE-OD2 2.86Å; R211-D248 PolarHBondContact NE-OD2 2.87Å; R211-D248 VanDerWaalsContact NH2-CG 3.26Å; R211-D248 IonicContact NH2-OD1 3.79Å; R211-D248 PolarHBondContact NH2-OD1 2.99Å; R211-D248 IonicContact NH2-OD2 3.32Å; R211-D248 PolarHBondContact NH2-OD2 2.76Å; L212-D248 HydrophobicContact CB-CB 4.47Å; L212-D248 HydrophobicContact CD2-CB 4.44Å; L212-D248 WeakPolarHBondContact CD2-O 3.47Å; Q243-D248 CarbonylContact C-O 3.58Å; Q243-D248 WeakPolarHBondContact CA-O 3.46Å; Q243-D248 WeakPolarHBondContact CG-O 3.48Å; G244-D248 PolarHBondContact N-O 2.85Å
249L94.3Very high92.8Very high86 Ų8648.3 Ų48.345%0.4528%0.281SS..EExtended strand (participates in β ladder)trans-128.9127.4-178-175.373.6000109.5L227 I242 Q243L227-L249 HydrophobicContact CD1-CD1 4.04Å; I242-L249 WeakPolarHBondContact O-CA 3Å; Q243-L249 HydrophobicContact CB-CD1 3.94Å
250L94.9Very high93.3Very high17 Ų1747.1 Ų47.19%0.08928%0.275CS..EExtended strand (participates in β ladder)trans-129.1149.1175.1-62.4-178.7000110.5L212 S241 I242 F279L212-L250 HydrophobicContact CD1-CD1 3.82Å; L212-L250 HydrophobicContact CD1-CG 4.38Å; L212-L250 HydrophobicContact CD2-CG 4.48Å; L212-L250 HydrophobicContact CG-CD1 3.88Å; L212-L250 HydrophobicContact CG-CG 4.09Å; S241-L250 CarbonylContact C-O 3.18Å; S241-L250 WeakPolarHBondContact CA-O 3.48Å; S241-L250 WeakPolarHBondContact CB-O 3.48Å; I242-L250 HydrophobicContact CG2-CB 4.34Å; I242-L250 PolarHBondContact N-O 2.9Å; I242-L250 PolarHBondContact O-N 3.31Å; L250-F279 HydrophobicContact CD1-CB 4.32Å
251K94.6Very high93.4Very high104 Ų10447.5 Ų47.545%0.45228%0.278SS..EExtended strand (participates in β ladder)trans-63.6136.9165-176.7179.3171.1-131.80109.1G277 E278 F279K251-G277 PolarHBondContact N-O 3.17Å; K251-E278 HydrophobicContact CB-CB 4.46Å; K251-E278 HydrophobicContact CB-CG 4.39Å; K251-E278 IonicContact NZ-OE1 2.79Å; K251-E278 PolarHBondContact NZ-OE1 3.26Å; K251-E278 CarbonylContact O-C 3.54Å; K251-E278 VanDerWaalsContact O-CA 3.29Å; K251-E278 WeakPolarHBondContact O-CA 3.33Å; K251-F279 PolarHBondContact O-N 3Å
252L95.1Very high93.3Very high6 Ų647 Ų473%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-109.3117179.4-178.761.8000109.6L226 L240 I242 L254 V270 F279 A281L226-L252 HydrophobicContact CD2-CD2 3.54Å; L240-L252 HydrophobicContact CD2-CB 4.13Å; L240-L252 HydrophobicContact CD2-CD2 3.75Å; L240-L252 HydrophobicContact CD2-CG 4.01Å; L240-L252 HydrophobicContact CG-CB 4.04Å; L240-L252 HydrophobicContact CG-CD2 4.15Å; L240-L252 HydrophobicContact CG-CG 4.42Å; L240-L252 PolarHBondContact O-N 3.36Å; I242-L252 HydrophobicContact CB-CB 4.39Å; I242-L252 HydrophobicContact CB-CD2 4.28Å; I242-L252 HydrophobicContact CG2-CB 4.17Å; I242-L252 HydrophobicContact CG2-CD1 4.4Å; L252-L254 HydrophobicContact CD1-CD2 4.22Å; L252-L254 HydrophobicContact CD2-CD2 3.96Å; L252-L254 HydrophobicContact CD2-CG 4.37Å; L252-L254 HydrophobicContact CG-CD2 3.87Å; L252-L254 HydrophobicContact CG-CG 4.17Å; L252-V270 HydrophobicContact CD1-CG1 4.26Å; L252-F279 HydrophobicContact CD1-CB 4.33Å; L252-F279 HydrophobicContact CD1-CD1 4.04Å; L252-A281 HydrophobicContact CD1-CB 4.19Å
253D93.6Very high93.2Very high43 Ų4347 Ų4723%0.2327%0.274CS..EExtended strand (participates in β ladder)trans-96.1118.9173.717418.9000109.7S255 E278 F279 A281D253-S255 WeakPolarHBondContact OD1-CB 3.06Å; D253-S255 PolarHBondContact OD1-N 2.81Å; D253-S255 PolarHBondContact OD1-OG 2.93Å; D253-S255 PolarHBondContact OD2-OG 2.79Å; D253-S255 VanDerWaalsContact OD2-OG 3.13Å; D253-E278 HydrophobicContact CB-CG 4.34Å; D253-F279 PolarHBondContact N-O 3.36Å; D253-A281 WeakPolarHBondContact O-CB 3.2Å; D253-A281 PolarHBondContact O-N 2.72Å
254L93.6Very high93.1Very high12 Ų1244.5 Ų44.56%0.06326%0.263CS..  trans-107.214179-62.8-177000112.9L240 L252 L256 V257 L262 A281 F284 I448L240-L254 HydrophobicContact CD2-CD1 3.28Å; L240-L254 HydrophobicContact CD2-CG 3.69Å; L252-L254 HydrophobicContact CD1-CD2 4.22Å; L252-L254 HydrophobicContact CD2-CD2 3.96Å; L252-L254 HydrophobicContact CD2-CG 4.37Å; L252-L254 HydrophobicContact CG-CD2 3.87Å; L252-L254 HydrophobicContact CG-CG 4.17Å; L254-L256 PolarHBondContact O-N 2.85Å; L254-V257 HydrophobicContact CB-CB 4.42Å; L254-V257 HydrophobicContact CD2-CG2 4.05Å; L254-V257 PolarHBondContact O-N 2.89Å; L254-L262 HydrophobicContact CD1-CD1 3.48Å; L254-L262 VanDerWaalsContact CD1-CD1 3.48Å; L254-L262 HydrophobicContact CD1-CD2 4.22Å; L254-L262 HydrophobicContact CD1-CG 4.42Å; L254-A281 HydrophobicContact CD2-CB 3.61Å; L254-F284 HydrophobicContact CD2-CD2 4.27Å; L254-I448 HydrophobicContact CD1-CD1 4.19Å
255S91.3Very high93.1Very high87 Ų8744.4 Ų44.461%0.60826%0.262SS*.THydrogen-bonded Turntrans-57.8-24.1-175.958.70000114.7D253D253-S255 WeakPolarHBondContact OD1-CB 3.06Å; D253-S255 PolarHBondContact OD1-N 2.81Å; D253-S255 PolarHBondContact OD1-OG 2.93Å; D253-S255 PolarHBondContact OD2-OG 2.79Å; D253-S255 VanDerWaalsContact OD2-OG 3.13Å
256L93.8Very high93.2Very high120 Ų12042.7 Ų42.763%0.62825%0.248SC*.THydrogen-bonded Turntrans-98-1.5178-56.7176.4000113.6L254 T282L254-L256 PolarHBondContact O-N 2.85Å; L256-T282 HydrophobicContact CD1-CG2 4.03Å
257V93.5Very high93.4Very high16 Ų1637.3 Ų37.310%0.09722%0.22CC..  trans-91.9125.6178.1179.60000109.1L254 C260 A281 F284L254-V257 HydrophobicContact CB-CB 4.42Å; L254-V257 HydrophobicContact CD2-CG2 4.05Å; L254-V257 PolarHBondContact O-N 2.89Å; V257-C260 HydrophobicContact CG1-CB 4.17Å; V257-A281 HydrophobicContact CG2-CB 3.85Å; V257-F284 HydrophobicContact CG1-CB 3.9Å; V257-F284 HydrophobicContact CG2-CB 4.39Å
258S89.7Confident93.7Very high97 Ų9735.4 Ų35.468%0.67820%0.2SC*.SBendtrans-74-47.6-169.758.20000114.7G449S258-G449 WeakPolarHBondContact O-CA 3.34Å
259D90.6Very high94Very high70 Ų7033.1 Ų33.137%0.37419%0.188SC..  trans-136.2126.8179.7-72-43000109.5F447 I448 G449 T450 S451D259-F447 HydrophobicContact CB-CE2 4.37Å; D259-F447 HydrophobicContact CB-CZ 4.27Å; D259-I448 CarbonylContact C-O 3.52Å; D259-I448 VanDerWaalsContact CA-O 3.29Å; D259-I448 WeakPolarHBondContact CA-O 3.4Å; D259-G449 VanDerWaalsContact OD1-CA 3.26Å; D259-G449 WeakPolarHBondContact OD1-CA 3.43Å; D259-T450 PolarHBondContact OD1-N 3.14Å; D259-S451 PolarHBondContact OD1-N 3.14Å; D259-S451 VanDerWaalsContact OD1-N 3.07Å
260C90.7Very high94.1Very high5 Ų529 Ų293%0.03417%0.167CC..EExtended strand (participates in β ladder)trans-151126.6-178.1-156.40000111V257 L262 F284 F447 I448V257-C260 HydrophobicContact CG1-CB 4.17Å; C260-L262 HydrophobicContact CB-CD2 4.47Å; C260-L262 HydrophobicContact CB-CG 4.4Å; C260-L262 WeakPolarHBondContact SG-CD2 3.45Å; C260-F284 WeakPolarHBondContact SG-CD1 3.21Å; C260-F284 WeakPolarHBondContact SG-CE1 3.39Å; C260-F284 VanDerWaalsContact SG-CG 3.59Å; C260-F447 WeakPolarHBondContact O-CA 3.33Å; C260-F447 WeakPolarHBondContact O-CD2 3.46Å; C260-I448 HydrophobicContact CB-CB 4.49Å; C260-I448 PolarHBondContact N-O 3.22Å; C260-I448 PolarHBondContact O-N 2.85Å
261S93.3Very high94.2Very high15 Ų1530.2 Ų30.211%0.10517%0.172CC..EExtended strand (participates in β ladder)trans-108.1125.4170.8179.20000108.6Q266 E445 I446 H462S261-Q266 PolarHBondContact O-NE2 2.88Å; S261-Q266 PolarHBondContact O-OE1 2.78Å; S261-E445 WeakPolarHBondContact OG-CG 3.45Å; S261-E445 PolarHBondContact OG-OE1 3.45Å; S261-I446 WeakPolarHBondContact CA-O 3.36Å; S261-H462 PolarHBondContact O-CE1 3.38Å; S261-H462 VanDerWaalsContact O-CE1 3.3Å; S261-H462 PolarHBondContact OG-CE1 3.22Å; S261-H462 PolarHBondContact OG-NE2 3.02Å
262L93.9Very high94.4Very high0 Ų025.3 Ų25.30%015%0.15CC..EExtended strand (participates in β ladder)trans-129.3142-164-58.1172000111.1L226 F233 L240 L254 C260 Q266 F284 E445 I446 I448L226-L262 HydrophobicContact CD1-CD2 3.56Å; F233-L262 HydrophobicContact CD2-CB 4.28Å; F233-L262 HydrophobicContact CE2-CB 4.28Å; L240-L262 HydrophobicContact CD2-CD1 4.02Å; L254-L262 HydrophobicContact CD1-CD1 3.48Å; L254-L262 VanDerWaalsContact CD1-CD1 3.48Å; L254-L262 HydrophobicContact CD1-CD2 4.22Å; L254-L262 HydrophobicContact CD1-CG 4.42Å; C260-L262 HydrophobicContact CB-CD2 4.47Å; C260-L262 HydrophobicContact CB-CG 4.4Å; C260-L262 WeakPolarHBondContact SG-CD2 3.45Å; L262-Q266 VanDerWaalsContact CA-OE1 3.29Å; L262-F284 HydrophobicContact CD2-CE1 4.11Å; L262-F284 HydrophobicContact CD2-CE2 4.03Å; L262-F284 HydrophobicContact CD2-CZ 3.61Å; L262-E445 CarbonylContact O-C 3.42Å; L262-E445 VanDerWaalsContact O-CA 3.26Å; L262-E445 WeakPolarHBondContact O-CA 3.45Å; L262-I446 HydrophobicContact CB-CD1 4.37Å; L262-I446 HydrophobicContact CB-CG1 3.79Å; L262-I446 HydrophobicContact CD1-CD1 4.16Å; L262-I446 HydrophobicContact CD1-CG1 4.34Å; L262-I446 PolarHBondContact N-O 3.31Å; L262-I446 PolarHBondContact O-N 3.04Å; L262-I448 HydrophobicContact CD1-CD1 3.79Å; L262-I448 HydrophobicContact CD1-CG1 4.48Å
263F93.7Very high94.5Very high0 Ų026.6 Ų26.60%016%0.159CC..  trans-149.1154.5169.967.1-86.6000110.9F233 G265 Q266 L441 H462 Q466 P471 L472F233-F263 WeakPolarHBondContact CE2-O 3.46Å; F263-G265 PolarHBondContact O-N 3.28Å; F263-Q266 HydrophobicContact CD1-CB 4.11Å; F263-Q266 HydrophobicContact CD1-CG 4.36Å; F263-Q266 HydrophobicContact CD2-CB 4.29Å; F263-Q266 HydrophobicContact CE1-CB 3.68Å; F263-Q266 HydrophobicContact CE1-CG 3.69Å; F263-Q266 HydrophobicContact CE2-CB 3.86Å; F263-Q266 HydrophobicContact CG-CB 4.37Å; F263-Q266 HydrophobicContact CZ-CB 3.51Å; F263-Q266 HydrophobicContact CZ-CG 3.83Å; F263-Q266 VanDerWaalsContact O-CB 3.22Å; F263-Q266 WeakPolarHBondContact O-CB 3.27Å; F263-Q266 PolarHBondContact O-N 2.78Å; F263-L441 HydrophobicContact CB-CD2 4.28Å; F263-L441 HydrophobicContact CD1-CD2 4.17Å; F263-L441 HydrophobicContact CD2-CD2 3.44Å; F263-L441 VanDerWaalsContact CD2-CD2 3.44Å; F263-L441 HydrophobicContact CE1-CD2 4.47Å; F263-L441 HydrophobicContact CE2-CD2 3.81Å; F263-L441 HydrophobicContact CG-CD2 3.67Å; F263-L441 HydrophobicContact CZ-CD2 4.32Å; F263-H462 HydrophobicContact CD1-CB 4.34Å; F263-H462 AromaticContact CD1-CD2 3.63Å; F263-H462 AromaticContact CD1-CG 3.81Å; F263-H462 AromaticContact CD1-NE2 3.85Å; F263-H462 HydrophobicContact CE1-CB 3.75Å; F263-H462 AromaticContact CE1-CD2 3.87Å; F263-H462 AromaticContact CE1-CG 3.53Å; F263-H462 AromaticContact CE1-ND1 3.75Å; F263-H462 HydrophobicContact CZ-CB 4.49Å; F263-Q466 HydrophobicContact CE1-CG 4.36Å; F263-Q466 HydrophobicContact CZ-CG 3.89Å; F263-P471 HydrophobicContact CE2-CB 3.94Å; F263-P471 HydrophobicContact CE2-CG 4.12Å; F263-P471 HydrophobicContact CZ-CB 3.86Å; F263-P471 HydrophobicContact CZ-CG 3.99Å; F263-L472 HydrophobicContact CD2-CD1 4.06Å
264P92.8Very high94.6Very high4 Ų424.7 Ų24.73%0.02615%0.149CC..THydrogen-bonded Turntrans-59.9134.8-178.9-25.235.5000112.5F233 Q266 E444 L472 Y473F233-P264 HydrophobicContact CD1-CG 4.5Å; F233-P264 HydrophobicContact CD2-CG 3.96Å; F233-P264 HydrophobicContact CE2-CG 4.11Å; F233-P264 VanDerWaalsContact CE2-N 3.29Å; F233-P264 HydrophobicContact CG-CG 4.14Å; F233-P264 HydrophobicContact CZ-CG 4.38Å; P264-Q266 VanDerWaalsContact C-N 3.32Å; P264-E444 HydrophobicContact CG-CB 4.34Å; P264-L472 HydrophobicContact CB-CD1 4.41Å; P264-Y473 CarbonylContact C-O 3.59Å; P264-Y473 WeakPolarHBondContact CB-O 3.33Å; P264-Y473 PolarHBondContact O-N 3.13Å
265G94.7Very high94.7Very high2 Ų229.2 Ų29.22%0.02117%0.168CC..THydrogen-bonded Turntrans88.4-5.7-179.500000115Q225 L226 F263 I267 Y473Q225-G265 WeakPolarHBondContact CG-O 3.05Å; Q225-G265 PolarHBondContact NE2-O 2.88Å; L226-G265 PolarHBondContact O-N 3.16Å; F263-G265 PolarHBondContact O-N 3.28Å; G265-I267 PolarHBondContact O-N 2.95Å; G265-Y473 PolarHBondContact N-O 2.91Å
266Q96.3Very high94.7Very high0 Ų036.5 Ų36.50%018%0.182CC..  trans-59.4130.3175.3-175.1174.65.900110.9Q225 L226 S261 L262 F263 P264Q225-Q266 CarbonylContact C-O 3.59Å; Q225-Q266 WeakPolarHBondContact CA-O 3.45Å; L226-Q266 HydrophobicContact CB-CB 4.45Å; L226-Q266 HydrophobicContact CD1-CB 4.19Å; L226-Q266 HydrophobicContact CD1-CG 4.48Å; L226-Q266 HydrophobicContact CG-CB 4.38Å; L226-Q266 WeakPolarHBondContact CG-O 3.5Å; L226-Q266 PolarHBondContact N-O 3.26Å; S261-Q266 PolarHBondContact O-NE2 2.88Å; S261-Q266 PolarHBondContact O-OE1 2.78Å; L262-Q266 VanDerWaalsContact CA-OE1 3.29Å; F263-Q266 HydrophobicContact CD1-CB 4.11Å; F263-Q266 HydrophobicContact CD1-CG 4.36Å; F263-Q266 HydrophobicContact CD2-CB 4.29Å; F263-Q266 HydrophobicContact CE1-CB 3.68Å; F263-Q266 HydrophobicContact CE1-CG 3.69Å; F263-Q266 HydrophobicContact CE2-CB 3.86Å; F263-Q266 HydrophobicContact CG-CB 4.37Å; F263-Q266 HydrophobicContact CZ-CB 3.51Å; F263-Q266 HydrophobicContact CZ-CG 3.83Å; F263-Q266 VanDerWaalsContact O-CB 3.22Å; F263-Q266 WeakPolarHBondContact O-CB 3.27Å; F263-Q266 PolarHBondContact O-N 2.78Å; P264-Q266 VanDerWaalsContact C-N 3.32Å
267I97.6Very high94.7Very high11 Ų1133 Ų336%0.05618%0.175CC..EExtended strand (participates in β ladder)trans-97.3127.7174.1-53.4177.3000108.1K190 M191 L194 G224 Q225 G265 Q466K190-I267 HydrophobicContact CB-CD1 3.37Å; K190-I267 HydrophobicContact CD-CD1 4.15Å; K190-I267 HydrophobicContact CG-CD1 4.42Å; M191-I267 HydrophobicContact CB-CG2 4.36Å; M191-I267 HydrophobicContact CG-CD1 4.34Å; M191-I267 HydrophobicContact CG-CG2 4.03Å; L194-I267 HydrophobicContact CB-CG2 4.16Å; L194-I267 HydrophobicContact CD2-CB 4.23Å; L194-I267 HydrophobicContact CD2-CG2 3.62Å; L194-I267 WeakPolarHBondContact CD2-O 3.35Å; G224-I267 WeakPolarHBondContact O-CA 3.49Å; Q225-I267 HydrophobicContact CB-CG1 4.28Å; Q225-I267 HydrophobicContact CG-CG1 4.29Å; G265-I267 PolarHBondContact O-N 2.95Å; I267-Q466 PolarHBondContact O-NE2 3.46Å
268A97.6Very high94.7Very high0 Ų034.5 Ų34.50%018%0.181CC..EExtended strand (participates in β ladder)trans-137152.5-176.200000111.5C223 G224 V270 F284 Y285C223-A268 WeakPolarHBondContact CA-O 3.43Å; C223-A268 PolarHBondContact SG-O 3.5Å; C223-A268 VanDerWaalsContact SG-O 3.4Å; G224-A268 PolarHBondContact N-O 2.95Å; G224-A268 PolarHBondContact O-N 2.87Å; A268-V270 HydrophobicContact CB-CG2 4.5Å; A268-F284 HydrophobicContact CB-CD2 4.32Å; A268-F284 HydrophobicContact CB-CE1 4.19Å; A268-F284 HydrophobicContact CB-CE2 3.5Å; A268-F284 HydrophobicContact CB-CZ 3.43Å; A268-F284 VanDerWaalsContact CB-CZ 3.43Å; A268-Y285 WeakPolarHBondContact CA-O 3.23Å; A268-Y285 WeakPolarHBondContact CB-O 3.21Å
269A97.8Very high95.1Very high1 Ų129.9 Ų29.91%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-96.4137.8161.700000108.5A198 F209 V222 Y285A198-A269 HydrophobicContact CB-CB 4.44Å; F209-A269 HydrophobicContact CE1-CB 3.63Å; F209-A269 HydrophobicContact CZ-CB 3.62Å; V222-A269 CarbonylContact O-C 3.54Å; V222-A269 WeakPolarHBondContact O-CA 3.48Å; A269-Y285 HydrophobicContact CB-CD2 4.37Å; A269-Y285 PolarHBondContact N-O 2.9Å; A269-Y285 WeakPolarHBondContact O-CA 3.34Å; A269-Y285 WeakPolarHBondContact O-CB 3.34Å; A269-Y285 WeakPolarHBondContact O-CD2 3.4Å; A269-Y285 PolarHBondContact O-N 3.49Å
270V97.2Very high95.3Very high0 Ų026.9 Ų26.90%013%0.134CC..EExtended strand (participates in β ladder)trans-131.5133.2-175.4-169.50000108.6Y221 V222 I242 L252 A268 F279 A281 A283 F284Y221-V270 CarbonylContact C-O 3.59Å; Y221-V270 WeakPolarHBondContact CA-O 3.46Å; V222-V270 HydrophobicContact CG2-CB 4.03Å; V222-V270 PolarHBondContact N-O 3.23Å; V222-V270 PolarHBondContact O-N 3.24Å; I242-V270 HydrophobicContact CD1-CG2 3.95Å; L252-V270 HydrophobicContact CD1-CG1 4.26Å; A268-V270 HydrophobicContact CB-CG2 4.5Å; V270-F279 HydrophobicContact CB-CE1 4.21Å; V270-F279 HydrophobicContact CG1-CD1 4.09Å; V270-F279 HydrophobicContact CG1-CE1 3.73Å; V270-A281 HydrophobicContact CG1-CB 3.35Å; V270-A283 WeakPolarHBondContact CA-O 3.24Å; V270-A283 WeakPolarHBondContact CG1-O 3.41Å; V270-F284 HydrophobicContact CG2-CD2 4.03Å; V270-F284 HydrophobicContact CG2-CE2 4.32Å
271H97.7Very high95.6Very high42 Ų4226.7 Ų26.719%0.19413%0.132CC..EExtended strand (participates in β ladder)trans-104.6136171.4-179.1-103.2000108.9S219 I220 Y221 T282 A283 Y285S219-H271 WeakPolarHBondContact CB-CE1 3.44Å; S219-H271 VanDerWaalsContact CB-NE2 3.34Å; S219-H271 WeakPolarHBondContact CB-NE2 3.31Å; I220-H271 WeakPolarHBondContact O-CA 3.36Å; Y221-H271 HydrophobicContact CD1-CB 3.84Å; Y221-H271 AromaticContact CD1-CD2 3.96Å; Y221-H271 HydrophobicContact CE1-CB 3.63Å; Y221-H271 AromaticContact CE1-CD2 3.62Å; Y221-H271 AromaticContact CE1-CG 3.9Å; Y221-H271 AromaticContact CE2-CD2 3.69Å; Y221-H271 AromaticContact CZ-CD2 3.47Å; Y221-H271 VanDerWaalsContact CZ-CD2 3.47Å; H271-T282 PolarHBondContact ND1-OG1 3.42Å; H271-T282 VanDerWaalsContact ND1-OG1 3.11Å; H271-T282 PolarHBondContact O-N 3.04Å; H271-T282 PolarHBondContact O-OG1 3.29Å; H271-A283 HydrophobicContact CB-CB 4.03Å; H271-A283 PolarHBondContact N-O 3.06Å; H271-A283 PolarHBondContact O-N 3.26Å; H271-Y285 HydrophobicContact CB-CE2 4.33Å
272G97.8Very high95.8Very high0 Ų028.9 Ų28.90%015%0.145CC..EExtended strand (participates in β ladder)trans167-168.2-176.700000113.1S219 I220 C280S219-G272 CarbonylContact C-O 3.57Å; S219-G272 VanDerWaalsContact CA-O 3.26Å; S219-G272 WeakPolarHBondContact CA-O 3.34Å; I220-G272 PolarHBondContact N-O 3.24Å; I220-G272 PolarHBondContact O-N 2.73Å; G272-C280 CarbonylContact C-O 3.59Å; G272-C280 WeakPolarHBondContact CA-O 3.25Å
273T97.6Very high95.9Very high34 Ų3430.1 Ų30.121%0.20916%0.156CC..EExtended strand (participates in β ladder)trans-108.1134.3-179.853.40000111.3C280T273-C280 PolarHBondContact N-O 3Å; T273-C280 PolarHBondContact O-N 3.39Å
274G95.9Very high96Very high3 Ų331.7 Ų31.73%0.03116%0.162CC..EExtended strand (participates in β ladder)trans-87.7124.8176.900000111.2V215 S216V215-G274 WeakPolarHBondContact CA-O 3.13Å; S216-G274 PolarHBondContact N-O 2.84Å; S216-G274 VanDerWaalsContact N-O 3.16Å
275K94.6Very high96.1Very high107 Ų10734.5 Ų34.547%0.46517%0.173SC..EExtended strand (participates in β ladder)trans-114.1170.5171.8-64.5176.2-174.5163.70109.6G277 E278 C280K275-G277 PolarHBondContact O-N 2.96Å; K275-E278 CarbonylContact C-O 3.6Å; K275-E278 WeakPolarHBondContact CA-O 3.22Å; K275-E278 PolarHBondContact N-O 3.12Å; K275-E278 PolarHBondContact O-N 3.07Å; K275-C280 PolarHBondContact NZ-SG 3.49Å
276R92.6Very high96.2Very high239 Ų23935.4 Ų35.490%0.90218%0.18SC*.THydrogen-bonded Turntrans-64.4108.6176.9-171.3179.4-177.3-152.6-0.3110.4E278R276-E278 VanDerWaalsContact C-N 3.31Å
277G92.3Very high96.2Very high47 Ų4735.9 Ų35.949%0.48519%0.185SC..THydrogen-bonded Turntrans82.6-0176.600000115.3K251 K275K251-G277 PolarHBondContact N-O 3.17Å; K275-G277 PolarHBondContact O-N 2.96Å
278E95Very high96.1Very high47 Ų4735.8 Ų35.822%0.2219%0.185CC..EExtended strand (participates in β ladder)trans-145.7144.7-176-175.5174.1-112.900110.4K251 D253 K275 R276K251-E278 HydrophobicContact CB-CB 4.46Å; K251-E278 HydrophobicContact CB-CG 4.39Å; K251-E278 IonicContact NZ-OE1 2.79Å; K251-E278 PolarHBondContact NZ-OE1 3.26Å; K251-E278 CarbonylContact O-C 3.54Å; K251-E278 VanDerWaalsContact O-CA 3.29Å; K251-E278 WeakPolarHBondContact O-CA 3.33Å; D253-E278 HydrophobicContact CB-CG 4.34Å; K275-E278 CarbonylContact C-O 3.6Å; K275-E278 WeakPolarHBondContact CA-O 3.22Å; K275-E278 PolarHBondContact N-O 3.12Å; K275-E278 PolarHBondContact O-N 3.07Å; R276-E278 VanDerWaalsContact C-N 3.31Å
279F96.6Very high96.1Very high1 Ų138.6 Ų38.60%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-117.2120.3171.1-166.6-88.4000109.2I220 V222 L250 K251 L252 D253 V270I220-F279 HydrophobicContact CD1-CE2 4.1Å; I220-F279 HydrophobicContact CG1-CE2 3.87Å; I220-F279 HydrophobicContact CG1-CZ 4.19Å; V222-F279 HydrophobicContact CB-CE2 4.36Å; V222-F279 HydrophobicContact CB-CZ 4.43Å; V222-F279 HydrophobicContact CG1-CD2 4.23Å; V222-F279 HydrophobicContact CG1-CE2 3.59Å; V222-F279 HydrophobicContact CG1-CZ 4.01Å; V222-F279 HydrophobicContact CG2-CD1 4.15Å; V222-F279 HydrophobicContact CG2-CD2 4.14Å; V222-F279 HydrophobicContact CG2-CE1 3.8Å; V222-F279 HydrophobicContact CG2-CE2 3.79Å; V222-F279 HydrophobicContact CG2-CG 4.31Å; V222-F279 HydrophobicContact CG2-CZ 3.6Å; L250-F279 HydrophobicContact CD1-CB 4.32Å; K251-F279 PolarHBondContact O-N 3Å; L252-F279 HydrophobicContact CD1-CB 4.33Å; L252-F279 HydrophobicContact CD1-CD1 4.04Å; D253-F279 PolarHBondContact N-O 3.36Å; V270-F279 HydrophobicContact CB-CE1 4.21Å; V270-F279 HydrophobicContact CG1-CD1 4.09Å; V270-F279 HydrophobicContact CG1-CE1 3.73Å
280C96.2Very high96Very high7 Ų738.7 Ų38.75%0.04720%0.201CC..EExtended strand (participates in β ladder)trans-93.4102.9179.3-67.10000109.6G272 T273 K275G272-C280 CarbonylContact C-O 3.59Å; G272-C280 WeakPolarHBondContact CA-O 3.25Å; T273-C280 PolarHBondContact N-O 3Å; T273-C280 PolarHBondContact O-N 3.39Å; K275-C280 PolarHBondContact NZ-SG 3.49Å
281A96.5Very high95.9Very high1 Ų142.3 Ų42.31%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-76137.8-178.400000112.1L252 D253 L254 V257 V270L252-A281 HydrophobicContact CD1-CB 4.19Å; D253-A281 WeakPolarHBondContact O-CB 3.2Å; D253-A281 PolarHBondContact O-N 2.72Å; L254-A281 HydrophobicContact CD2-CB 3.61Å; V257-A281 HydrophobicContact CG2-CB 3.85Å; V270-A281 HydrophobicContact CG1-CB 3.35Å
282T96.4Very high95.6Very high60 Ų6044.1 Ų44.137%0.36825%0.246SC..EExtended strand (participates in β ladder)trans-114.4-20.4169.957.30000112.6L256 H271L256-T282 HydrophobicContact CD1-CG2 4.03Å; H271-T282 PolarHBondContact ND1-OG1 3.42Å; H271-T282 VanDerWaalsContact ND1-OG1 3.11Å; H271-T282 PolarHBondContact O-N 3.04Å; H271-T282 PolarHBondContact O-OG1 3.29Å
283A96.4Very high95Very high27 Ų2745.5 Ų45.522%0.22325%0.254CS..EExtended strand (participates in β ladder)trans-144.1148.7167.400000111.4V270 H271 Y285V270-A283 WeakPolarHBondContact CA-O 3.24Å; V270-A283 WeakPolarHBondContact CG1-O 3.41Å; H271-A283 HydrophobicContact CB-CB 4.03Å; H271-A283 PolarHBondContact N-O 3.06Å; H271-A283 PolarHBondContact O-N 3.26Å; A283-Y285 HydrophobicContact CB-CE2 4.03Å
284F95.8Very high94.3Very high32 Ų3249.8 Ų49.814%0.1427%0.272CS..EExtended strand (participates in β ladder)trans-129.9125.1-176.5-176.3-89.9000110.6L226 L254 V257 C260 L262 A268 V270 A286L226-F284 HydrophobicContact CD1-CE2 3.99Å; L226-F284 HydrophobicContact CD1-CZ 3.89Å; L254-F284 HydrophobicContact CD2-CD2 4.27Å; V257-F284 HydrophobicContact CG1-CB 3.9Å; V257-F284 HydrophobicContact CG2-CB 4.39Å; C260-F284 WeakPolarHBondContact SG-CD1 3.21Å; C260-F284 WeakPolarHBondContact SG-CE1 3.39Å; C260-F284 VanDerWaalsContact SG-CG 3.59Å; L262-F284 HydrophobicContact CD2-CE1 4.11Å; L262-F284 HydrophobicContact CD2-CE2 4.03Å; L262-F284 HydrophobicContact CD2-CZ 3.61Å; A268-F284 HydrophobicContact CB-CD2 4.32Å; A268-F284 HydrophobicContact CB-CE1 4.19Å; A268-F284 HydrophobicContact CB-CE2 3.5Å; A268-F284 HydrophobicContact CB-CZ 3.43Å; A268-F284 VanDerWaalsContact CB-CZ 3.43Å; V270-F284 HydrophobicContact CG2-CD2 4.03Å; V270-F284 HydrophobicContact CG2-CE2 4.32Å; F284-A286 HydrophobicContact CD1-CB 4.19Å; F284-A286 HydrophobicContact CE1-CB 3.68Å
285Y96.2Very high93.7Very high63 Ų6350.3 Ų50.325%0.24728%0.275CS..EExtended strand (participates in β ladder)trans-114.7100.4179.6-54.8-88.8000108.8V202 L203 Y221 A268 A269 H271 A283 G287V202-Y285 HydrophobicContact CG1-CD1 3.49Å; V202-Y285 VanDerWaalsContact CG1-CD1 3.49Å; V202-Y285 HydrophobicContact CG1-CE1 3.87Å; V202-Y285 HydrophobicContact CG1-CG 4.37Å; L203-Y285 HydrophobicContact CD2-CD1 4.31Å; L203-Y285 HydrophobicContact CD2-CD2 4.01Å; L203-Y285 HydrophobicContact CD2-CE1 4.03Å; L203-Y285 HydrophobicContact CD2-CE2 3.74Å; L203-Y285 HydrophobicContact CD2-CG 4.29Å; Y221-Y285 AromaticContact CE1-CE2 3.96Å; Y221-Y285 HydrophobicContact CE1-CE2 3.96Å; A268-Y285 WeakPolarHBondContact CA-O 3.23Å; A268-Y285 WeakPolarHBondContact CB-O 3.21Å; A269-Y285 HydrophobicContact CB-CD2 4.37Å; A269-Y285 PolarHBondContact N-O 2.9Å; A269-Y285 WeakPolarHBondContact O-CA 3.34Å; A269-Y285 WeakPolarHBondContact O-CB 3.34Å; A269-Y285 WeakPolarHBondContact O-CD2 3.4Å; A269-Y285 PolarHBondContact O-N 3.49Å; H271-Y285 HydrophobicContact CB-CE2 4.33Å; A283-Y285 HydrophobicContact CB-CE2 4.03Å; Y285-G287 PolarHBondContact O-N 3.25Å
286A95.3Very high93.2Very high22 Ų2247.7 Ų47.718%0.18227%0.266CS..  trans-68.72.6-171.900000115.6F284 L465 Q466F284-A286 HydrophobicContact CD1-CB 4.19Å; F284-A286 HydrophobicContact CE1-CB 3.68Å; A286-L465 HydrophobicContact CB-CD1 3.93Å; A286-Q466 PolarHBondContact O-NE2 2.71Å
287G96.1Very high92.6Very high10 Ų1039 Ų3910%0.10324%0.237CC..  trans138.9-174.4-175.600000112.3Y285 L465Y285-G287 PolarHBondContact O-N 3.25Å; G287-L465 WeakPolarHBondContact CA-O 3.47Å
288V97Very high92.2Very high9 Ų941.8 Ų41.86%0.05525%0.249CC..  trans-129123.9177.6-175.30000108.5L194 L197 A198 D201 V202 L465 R467L194-V288 HydrophobicContact CD1-CB 4.47Å; L194-V288 HydrophobicContact CD1-CG2 3.8Å; L197-V288 HydrophobicContact CB-CB 4.16Å; L197-V288 HydrophobicContact CB-CG1 4.36Å; L197-V288 HydrophobicContact CB-CG2 3.98Å; A198-V288 HydrophobicContact CB-CG2 4.28Å; D201-V288 HydrophobicContact CB-CG1 4.04Å; V202-V288 HydrophobicContact CG2-CB 4.45Å; V202-V288 HydrophobicContact CG2-CG1 4.08Å; V202-V288 HydrophobicContact CG2-CG2 3.77Å; V288-L465 PolarHBondContact N-O 2.9Å; V288-R467 PolarHBondContact O-NE 2.99Å
289L96.9Very high91.6Very high58 Ų5841.4 Ų41.430%0.30425%0.247SC..PPolyproline II helixtrans-55.9138.2177-70.4170.9000110.7L464 L465 R467 H513L289-L464 HydrophobicContact CD2-CB 3.86Å; L289-L464 HydrophobicContact CD2-CD1 4.4Å; L289-L465 HydrophobicContact CD2-CD2 3.79Å; L289-L465 HydrophobicContact CD2-CG 4.35Å; L289-L465 HydrophobicContact CG-CD2 3.86Å; L289-R467 PolarHBondContact O-NH2 3.39Å; L289-H513 HydrophobicContact CD1-CB 4.28Å; L289-H513 WeakPolarHBondContact CD1-CD2 3.48Å; L289-H513 HydrophobicContact CD2-CB 4.35Å
290P96.4Very high90.8Very high4 Ų442.8 Ų42.83%0.02626%0.256CS..PPolyproline II helixtrans-68.4155.7174.227.7-30.9000110.6A292 L464 R467 I494 L495P290-A292 PolarHBondContact O-N 3.35Å; P290-L464 VanDerWaalsContact CD-O 3.22Å; P290-L464 WeakPolarHBondContact CD-O 3.4Å; P290-R467 HydrophobicContact CB-CG 4.1Å; P290-R467 HydrophobicContact CG-CG 4.3Å; P290-I494 VanDerWaalsContact CB-C 3.43Å; P290-I494 VanDerWaalsContact CG-C 3.48Å; P290-I494 WeakPolarHBondContact CG-O 3.5Å; P290-L495 HydrophobicContact CG-CB 4.03Å
291P94.6Very high90Very high76 Ų7644.1 Ų44.149%0.49426%0.264SS..PPolyproline II helixtrans-61.9136.6177.826.2-34.8000110.9V293 P493 L495P291-V293 PolarHBondContact O-N 2.91Å; P291-P493 WeakPolarHBondContact CD-O 3.33Å; P291-L495 PolarHBondContact O-N 3.06Å
292A90.5Very high89.3Confident80 Ų8048.2 Ų48.266%0.66129%0.285SS*.BIsolated β-bridgetrans-61.4132.1168.600000110.2P290 L495P290-A292 PolarHBondContact O-N 3.35Å; A292-L495 HydrophobicContact CB-CD2 4.1Å
293V85.2Confident88.9Confident28 Ų2847.1 Ų47.117%0.1728%0.276CS..PPolyproline II helixtrans-96.6122.8172.3169.80000108.6F163 P291 T429 I494F163-V293 HydrophobicContact CE2-CG1 3.99Å; F163-V293 HydrophobicContact CE2-CG2 4.03Å; F163-V293 HydrophobicContact CZ-CG2 4.08Å; P291-V293 PolarHBondContact O-N 2.91Å; V293-T429 HydrophobicContact CG1-CG2 4.07Å; V293-I494 HydrophobicContact CB-CD1 4.33Å; V293-I494 HydrophobicContact CG2-CB 3.58Å; V293-I494 HydrophobicContact CG2-CD1 3.8Å; V293-I494 HydrophobicContact CG2-CG1 4.31Å; V293-I494 HydrophobicContact CG2-CG2 3.5Å; V293-I494 VanDerWaalsContact CG2-CG2 3.5Å
294E83.2Confident88.6Confident125 Ų12546 Ų4658%0.58427%0.266SS*.PPolyproline II helixtrans-59.5143.7173.5-69.5-172-158.900111.4N296 R424 H541E294-N296 PolarHBondContact O-N 3.04Å; E294-R424 PolarHBondContact O-NH1 3.38Å; E294-H541 IonicContact OE2-CE1 3.11Å; E294-H541 IonicContact OE2-CG 3.32Å; E294-H541 IonicContact OE2-ND1 3.76Å; E294-H541 PolarHBondContact OE2-ND1 3.09Å
295V84.9Confident88.5Confident14 Ų1444.5 Ų44.59%0.08526%0.259CS..PPolyproline II helixtrans-66.3123.2170.7-1780000107.8L297 T300 L428 I535 F539V295-L297 HydrophobicContact CG1-CD2 4.2Å; V295-L297 PolarHBondContact O-N 3.02Å; V295-T300 HydrophobicContact CG1-CG2 3.38Å; V295-L428 HydrophobicContact CB-CD2 4.47Å; V295-L428 HydrophobicContact CG1-CD2 3.82Å; V295-L428 HydrophobicContact CG1-CG 4.29Å; V295-L428 HydrophobicContact CG2-CD2 3.8Å; V295-I535 HydrophobicContact CG1-CD1 4.11Å; V295-F539 HydrophobicContact CB-CE1 4Å; V295-F539 HydrophobicContact CB-CZ 4.28Å; V295-F539 HydrophobicContact CG2-CE1 4.1Å; V295-F539 HydrophobicContact CG2-CZ 3.87Å
296N83.2Confident88.5Confident52 Ų5241.5 Ų41.528%0.27825%0.248SC..  trans-77.693.4178.7-176.2-2.1000110.1E294 S298 E299 T300 G427E294-N296 PolarHBondContact O-N 3.04Å; N296-S298 PolarHBondContact ND2-OG 3.26Å; N296-S298 PolarHBondContact O-N 3.22Å; N296-S298 VanDerWaalsContact O-N 3.1Å; N296-S298 WeakPolarHBondContact OD1-CB 3.44Å; N296-S298 PolarHBondContact OD1-N 2.8Å; N296-S298 VanDerWaalsContact OD1-N 3.15Å; N296-S298 PolarHBondContact OD1-OG 2.88Å; N296-E299 HydrophobicContact CB-CB 4.41Å; N296-E299 VanDerWaalsContact ND2-CD 3.29Å; N296-E299 WeakPolarHBondContact ND2-CG 3.21Å; N296-E299 PolarHBondContact ND2-OE1 2.92Å; N296-E299 PolarHBondContact O-N 2.66Å; N296-T300 PolarHBondContact O-N 3.34Å; N296-T300 VanDerWaalsContact O-N 3.15Å; N296-G427 PolarHBondContact N-O 3.33Å; N296-G427 VanDerWaalsContact N-O 3.16Å
297L80.7Confident88.6Confident57 Ų5740.5 Ų40.530%0.29824%0.239SC..THydrogen-bonded Turntrans-61.5-20.4-176.8-58.3177.2000114.3V295 E299 T300 I535 F539V295-L297 HydrophobicContact CG1-CD2 4.2Å; V295-L297 PolarHBondContact O-N 3.02Å; L297-E299 VanDerWaalsContact C-N 3.29Å; L297-T300 VanDerWaalsContact CA-OG1 3.26Å; L297-T300 WeakPolarHBondContact CA-OG1 3.3Å; L297-T300 HydrophobicContact CD2-CG2 4.32Å; L297-T300 PolarHBondContact O-OG1 2.68Å; L297-I535 HydrophobicContact CD2-CG2 4.18Å; L297-F539 HydrophobicContact CD1-CD1 4.43Å; L297-F539 HydrophobicContact CD2-CD1 3.46Å; L297-F539 VanDerWaalsContact CD2-CD1 3.46Å; L297-F539 HydrophobicContact CD2-CE1 3.93Å; L297-F539 HydrophobicContact CD2-CG 4.4Å
298S82.8Confident88.8Confident104 Ų10440 Ų4073%0.72723%0.234SC*.THydrogen-bonded Turntrans-73.2-22.4174.170.50000113.4N296N296-S298 PolarHBondContact ND2-OG 3.26Å; N296-S298 PolarHBondContact O-N 3.22Å; N296-S298 VanDerWaalsContact O-N 3.1Å; N296-S298 WeakPolarHBondContact OD1-CB 3.44Å; N296-S298 PolarHBondContact OD1-N 2.8Å; N296-S298 VanDerWaalsContact OD1-N 3.15Å; N296-S298 PolarHBondContact OD1-OG 2.88Å
299E83.1Confident88.8Confident40 Ų4039.6 Ų39.619%0.18723%0.232CC..THydrogen-bonded Turntrans-100.7-14.5176.7-69177.2-161.100112.3L159 R161 N296 L297 R424 N426L159-E299 HydrophobicContact CD2-CG 3.99Å; R161-E299 IonicContact CZ-OE1 3.72Å; R161-E299 IonicContact NE-OE1 3.64Å; R161-E299 IonicContact NE-OE2 3.87Å; R161-E299 IonicContact NH2-OE1 2.78Å; R161-E299 PolarHBondContact NH2-OE1 3.07Å; R161-E299 IonicContact NH2-OE2 3.55Å; N296-E299 HydrophobicContact CB-CB 4.41Å; N296-E299 VanDerWaalsContact ND2-CD 3.29Å; N296-E299 WeakPolarHBondContact ND2-CG 3.21Å; N296-E299 PolarHBondContact ND2-OE1 2.92Å; N296-E299 PolarHBondContact O-N 2.66Å; L297-E299 VanDerWaalsContact C-N 3.29Å; E299-R424 WeakPolarHBondContact OE2-CG 3.34Å; E299-N426 CarbonylContact O-C 3.58Å; E299-N426 VanDerWaalsContact O-C 3.31Å; E299-N426 VanDerWaalsContact O-CA 3.28Å; E299-N426 WeakPolarHBondContact O-CA 3.22Å; E299-N426 WeakPolarHBondContact O-CB 3.4Å
300T79.8Confident88.9Confident30 Ų3036.8 Ų36.818%0.18422%0.217CC..  trans-70.6146.8-179.453.70000112V295 N296 L297 N426 I535V295-T300 HydrophobicContact CG1-CG2 3.38Å; N296-T300 PolarHBondContact O-N 3.34Å; N296-T300 VanDerWaalsContact O-N 3.15Å; L297-T300 VanDerWaalsContact CA-OG1 3.26Å; L297-T300 WeakPolarHBondContact CA-OG1 3.3Å; L297-T300 HydrophobicContact CD2-CG2 4.32Å; L297-T300 PolarHBondContact O-OG1 2.68Å; T300-N426 WeakPolarHBondContact CA-O 3.46Å; T300-N426 WeakPolarHBondContact CG2-O 3.37Å; T300-I535 HydrophobicContact CG2-CD1 3.79Å
301V79.5Confident88.9Confident35 Ų3536.6 Ų36.621%0.21222%0.216CC..  trans-104.5155.8166.9-66.40000108.9H303 L304 N426V301-H303 WeakPolarHBondContact CG2-O 3.29Å; V301-H303 PolarHBondContact O-N 3.12Å; V301-H303 VanDerWaalsContact O-N 3.13Å; V301-L304 HydrophobicContact CG2-CB 4.23Å; V301-N426 HydrophobicContact CG2-CB 4.24Å; V301-N426 VanDerWaalsContact CG2-ND2 3.27Å; V301-N426 WeakPolarHBondContact CG2-ND2 3.35Å
302D82.4Confident88.9Confident87 Ų8733.5 Ų33.547%0.46520%0.196SC..SBendtrans-56.8-32.5-179.9-56.2-36000113N534 I535D302-N534 CarbonylContact O-C 3.41Å; D302-N534 WeakPolarHBondContact O-CA 3.48Å; D302-I535 WeakPolarHBondContact CA-O 3.2Å; D302-I535 CarbonylContact O-C 3.59Å; D302-I535 PolarHBondContact O-N 2.62Å
303H87Confident89.2Confident36 Ų3629.7 Ų29.717%0.16717%0.165CC..  trans-143.6129.5-177.7177.784.9000110.7Y151 V301 E532 V533 N534Y151-H303 AromaticContact CD1-NE2 3.63Å; Y151-H303 AromaticContact CE1-CE1 3.86Å; Y151-H303 AromaticContact CE1-NE2 3.22Å; Y151-H303 WeakPolarHBondContact CE1-NE2 3.43Å; V301-H303 WeakPolarHBondContact CG2-O 3.29Å; V301-H303 PolarHBondContact O-N 3.12Å; V301-H303 VanDerWaalsContact O-N 3.13Å; H303-E532 IonicContact CE1-OE1 3.47Å; H303-E532 IonicContact CE1-OE2 3.68Å; H303-V533 WeakPolarHBondContact CA-O 3.23Å; H303-N534 PolarHBondContact ND1-OD1 2.75Å
304L90.9Very high89.5Confident4 Ų428.4 Ų28.42%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-125.4124174.5176.768.9000109.9V301 V306 D337 I338 I425 L428 F430 E532 V533V301-L304 HydrophobicContact CG2-CB 4.23Å; L304-V306 HydrophobicContact CD1-CG2 4.27Å; L304-V306 HydrophobicContact CD2-CG2 4.02Å; L304-V306 HydrophobicContact CG-CG2 3.84Å; L304-D337 HydrophobicContact CD1-CB 3.93Å; L304-I338 HydrophobicContact CD1-CD1 4.02Å; L304-I338 HydrophobicContact CD1-CG1 4.49Å; L304-I425 HydrophobicContact CD1-CG2 4.37Å; L304-I425 HydrophobicContact CD2-CG2 4.08Å; L304-L428 HydrophobicContact CD2-CD1 3.84Å; L304-F430 HydrophobicContact CD2-CZ 4.46Å; L304-E532 CarbonylContact O-C 3.23Å; L304-E532 WeakPolarHBondContact O-CA 3.44Å; L304-V533 HydrophobicContact CB-CB 4.35Å; L304-V533 PolarHBondContact N-O 2.86Å; L304-V533 PolarHBondContact O-N 3.09Å
305S93.2Very high89.7Confident0 Ų024.8 Ų24.80%015%0.146CC..EExtended strand (participates in β ladder)trans-112.8121.1175.159.90000112.3P336 D337 I338 R380 L531S305-P336 WeakPolarHBondContact OG-CA 3.41Å; S305-D337 PolarHBondContact N-OD2 3.01Å; S305-D337 WeakPolarHBondContact O-CA 3.5Å; S305-D337 VanDerWaalsContact O-CB 3.22Å; S305-D337 WeakPolarHBondContact O-CB 3.32Å; S305-D337 PolarHBondContact O-N 3.45Å; S305-D337 PolarHBondContact OG-N 2.99Å; S305-D337 PolarHBondContact OG-OD2 3.09Å; S305-I338 PolarHBondContact O-N 3.49Å; S305-R380 PolarHBondContact OG-NH2 3.29Å; S305-L531 CarbonylContact C-O 3.53Å; S305-L531 WeakPolarHBondContact CA-O 3.49Å
306V96.5Very high89.7Confident1 Ų132.2 Ų32.21%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-124.1123.3-174.8-171.80000109.8L304 I308 I338 F430 R530 L531L304-V306 HydrophobicContact CD1-CG2 4.27Å; L304-V306 HydrophobicContact CD2-CG2 4.02Å; L304-V306 HydrophobicContact CG-CG2 3.84Å; V306-I308 HydrophobicContact CG1-CD1 4.33Å; V306-I308 HydrophobicContact CG1-CG1 3.78Å; V306-I338 HydrophobicContact CB-CB 4.45Å; V306-I338 HydrophobicContact CG1-CB 4.05Å; V306-I338 HydrophobicContact CG1-CG2 4Å; V306-I338 HydrophobicContact CG2-CB 4.26Å; V306-I338 HydrophobicContact CG2-CD1 4.34Å; V306-F430 HydrophobicContact CG2-CZ 4.41Å; V306-R530 CarbonylContact O-C 3.53Å; V306-R530 WeakPolarHBondContact O-CA 3.49Å; V306-L531 HydrophobicContact CB-CB 4.28Å; V306-L531 HydrophobicContact CB-CD2 4.41Å; V306-L531 PolarHBondContact N-O 2.81Å; V306-L531 PolarHBondContact O-N 3.33Å
307F97.8Very high89.8Confident0 Ų034.7 Ų34.70%019%0.185CC..EExtended strand (participates in β ladder)trans-93.9133.7165.2-78.917.2000108.9W149 I330 C331 H334 P336 I338 L339 L340 Y528 S529 R530W149-F307 HydrophobicContact CE3-CE1 4.42Å; F307-I330 HydrophobicContact CE2-CG2 4.15Å; F307-C331 HydrophobicContact CD2-CB 4.33Å; F307-H334 HydrophobicContact CE2-CB 4.06Å; F307-H334 HydrophobicContact CZ-CB 3.61Å; F307-H334 AromaticContact CZ-CG 3.92Å; F307-P336 HydrophobicContact CB-CG 4.26Å; F307-P336 HydrophobicContact CD1-CB 3.85Å; F307-P336 HydrophobicContact CD1-CG 4.03Å; F307-P336 HydrophobicContact CD2-CG 3.93Å; F307-P336 HydrophobicContact CE1-CB 4.13Å; F307-P336 HydrophobicContact CE1-CG 4.38Å; F307-P336 HydrophobicContact CE2-CG 4.28Å; F307-P336 HydrophobicContact CG-CB 4.13Å; F307-P336 HydrophobicContact CG-CG 3.8Å; F307-I338 PolarHBondContact N-O 3.09Å; F307-L339 HydrophobicContact CB-CD1 3.79Å; F307-L339 CarbonylContact O-C 3.53Å; F307-L339 WeakPolarHBondContact O-CA 3.22Å; F307-L340 PolarHBondContact O-N 3.31Å; F307-Y528 HydrophobicContact CB-CD2 4.42Å; F307-Y528 HydrophobicContact CB-CE2 4.5Å; F307-Y528 HydrophobicContact CD1-CE2 4.1Å; F307-Y528 HydrophobicContact CD2-CD2 4.12Å; F307-Y528 AromaticContact CD2-CE2 3.57Å; F307-Y528 HydrophobicContact CD2-CE2 3.57Å; F307-Y528 HydrophobicContact CE1-CE2 4.16Å; F307-Y528 AromaticContact CE2-CE2 3.64Å; F307-Y528 HydrophobicContact CE2-CE2 3.64Å; F307-Y528 HydrophobicContact CG-CD2 4.2Å; F307-Y528 AromaticContact CG-CE2 3.81Å; F307-Y528 HydrophobicContact CG-CE2 3.81Å; F307-Y528 AromaticContact CZ-CE2 3.93Å; F307-Y528 HydrophobicContact CZ-CE2 3.93Å; F307-S529 CarbonylContact C-O 3.6Å; F307-S529 WeakPolarHBondContact CA-O 3.35Å; F307-R530 HydrophobicContact CD1-CB 3.74Å; F307-R530 HydrophobicContact CE1-CB 3.61Å; F307-R530 HydrophobicContact CZ-CB 4.5Å
308I98.7Very high90.1Very high0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans-126.4121.9-175.1-52.9174.7000107.6V306 L340 I342 I500 I518 P520 S529 L531V306-I308 HydrophobicContact CG1-CD1 4.33Å; V306-I308 HydrophobicContact CG1-CG1 3.78Å; I308-L340 HydrophobicContact CG1-CB 4.41Å; I308-L340 HydrophobicContact CG1-CD2 4.39Å; I308-L340 HydrophobicContact CG2-CD2 4.16Å; I308-I342 HydrophobicContact CG2-CD1 4.28Å; I308-I500 HydrophobicContact CD1-CD1 3.69Å; I308-I500 HydrophobicContact CD1-CG1 4.39Å; I308-I500 HydrophobicContact CG2-CG2 3.65Å; I308-I518 HydrophobicContact CD1-CD1 4.07Å; I308-P520 HydrophobicContact CG2-CB 4.17Å; I308-P520 HydrophobicContact CG2-CG 4.11Å; I308-S529 PolarHBondContact N-O 3.38Å; I308-S529 PolarHBondContact O-N 2.69Å; I308-L531 HydrophobicContact CD1-CD2 4.46Å
309A98.6Very high90.3Very high0 Ų030.6 Ų30.60%015%0.154CC..EExtended strand (participates in β ladder)trans-139130.7-177.600000109.8F313 L327 L340 L341 I342 S523A309-F313 HydrophobicContact CB-CE1 4.11Å; A309-F313 HydrophobicContact CB-CZ 4.12Å; A309-L327 HydrophobicContact CB-CD1 4.43Å; A309-L327 HydrophobicContact CB-CD2 3.42Å; A309-L327 VanDerWaalsContact CB-CD2 3.42Å; A309-L340 PolarHBondContact N-O 3.2Å; A309-L341 HydrophobicContact CB-CD2 4.15Å; A309-L341 WeakPolarHBondContact O-CA 3.45Å; A309-I342 PolarHBondContact O-N 2.95Å; A309-S523 WeakPolarHBondContact CB-OG 3.45Å
310A98.4Very high90.7Very high0 Ų034.4 Ų34.40%017%0.17CC..EExtended strand (participates in β ladder)trans-114.5137.4177.200000110.4I342 P502 P520 S523A310-I342 WeakPolarHBondContact CA-O 3.22Å; A310-I342 HydrophobicContact CB-CB 4.17Å; A310-P502 HydrophobicContact CB-CB 3.45Å; A310-P502 VanDerWaalsContact CB-CB 3.45Å; A310-P502 HydrophobicContact CB-CG 3.5Å; A310-P520 HydrophobicContact CB-CG 3.98Å; A310-S523 WeakPolarHBondContact O-CB 3.28Å; A310-S523 PolarHBondContact O-N 3.44Å; A310-S523 PolarHBondContact O-OG 3.34Å
311G95.4Very high91.4Very high0 Ų033.7 Ų33.70%016%0.164CC..SBendtrans-71.5177.4-176.500000114.2I342 P344 R522G311-I342 PolarHBondContact N-O 3.29Å; G311-P344 VanDerWaalsContact CA-O 3.28Å; G311-P344 WeakPolarHBondContact CA-O 3.38Å; G311-R522 WeakPolarHBondContact O-CD 3.46Å; G311-R522 PolarHBondContact O-NH1 3.2Å
312S94.8Very high92.1Very high11 Ų1136.1 Ų36.18%0.07717%0.173CC..  cis-71150.612.2-165.80000115.5V314 P344 F345 S347 S523 A524S312-V314 WeakPolarHBondContact OG-CG2 3.49Å; S312-V314 PolarHBondContact OG-N 2.97Å; S312-P344 VanDerWaalsContact CA-O 3.25Å; S312-P344 WeakPolarHBondContact CA-O 3.49Å; S312-F345 PolarHBondContact OG-O 3.34Å; S312-S347 PolarHBondContact OG-N 3.13Å; S312-S523 CarbonylContact O-C 3.58Å; S312-A524 WeakPolarHBondContact O-CB 3.48Å; S312-A524 PolarHBondContact O-N 2.88Å
313F96.4Very high92.7Very high0 Ų032 Ų320%015%0.151CC..  trans-101.711.3177.2-71.1-79.4000112.9A309 P323 L324 L327 L341 I342 F345A309-F313 HydrophobicContact CB-CE1 4.11Å; A309-F313 HydrophobicContact CB-CZ 4.12Å; F313-P323 WeakPolarHBondContact O-CD 3.4Å; F313-L324 HydrophobicContact CB-CB 4.18Å; F313-L324 HydrophobicContact CD1-CB 4.3Å; F313-L324 HydrophobicContact CD1-CD1 3.91Å; F313-L324 HydrophobicContact CE1-CD1 4.35Å; F313-L324 HydrophobicContact CG-CD1 4.44Å; F313-L327 HydrophobicContact CE1-CD2 3.83Å; F313-L341 HydrophobicContact CE1-CD2 3.88Å; F313-L341 HydrophobicContact CZ-CB 4.3Å; F313-L341 HydrophobicContact CZ-CD2 3.71Å; F313-I342 WeakPolarHBondContact CE2-O 3.4Å; F313-F345 HydrophobicContact CB-CD1 4.2Å; F313-F345 AromaticContact CD2-CD1 3.57Å; F313-F345 HydrophobicContact CD2-CD1 3.57Å; F313-F345 AromaticContact CD2-CE1 3.96Å; F313-F345 HydrophobicContact CD2-CE1 3.96Å; F313-F345 HydrophobicContact CD2-CG 4.21Å; F313-F345 HydrophobicContact CE2-CD1 4.19Å; F313-F345 HydrophobicContact CE2-CE1 4.16Å; F313-F345 HydrophobicContact CG-CD1 4.07Å; F313-F345 HydrophobicContact CG-CE1 4.48Å; F313-F345 PolarHBondContact N-O 3.07Å
314V92.4Very high93.1Very high0 Ų030.2 Ų30.20%014%0.143CC..SBendtrans-126.7162.7167-62.30000109.3S312 F319 W321 V346S312-V314 WeakPolarHBondContact OG-CG2 3.49Å; S312-V314 PolarHBondContact OG-N 2.97Å; V314-F319 HydrophobicContact CG1-CD2 4.12Å; V314-F319 HydrophobicContact CG1-CE2 4.36Å; V314-W321 HydrophobicContact CG1-CD2 4.05Å; V314-W321 HydrophobicContact CG1-CE3 3.44Å; V314-W321 VanDerWaalsContact CG1-CE3 3.44Å; V314-W321 HydrophobicContact CG1-CH2 4.21Å; V314-W321 HydrophobicContact CG1-CZ3 3.53Å; V314-V346 HydrophobicContact CG1-CG2 4.42Å; V314-V346 HydrophobicContact CG2-CB 4.39Å; V314-V346 HydrophobicContact CG2-CG1 4.01Å; V314-V346 HydrophobicContact CG2-CG2 4.18Å
315S87.8Confident93.4Very high50 Ų5035.3 Ų35.335%0.3516%0.162SC..BIsolated β-bridgetrans-81.7153.5174.2-61.60000110.7N317 D318S315-N317 PolarHBondContact O-N 3.38Å; S315-D318 PolarHBondContact N-O 2.77Å; S315-D318 PolarHBondContact O-N 3.44Å; S315-D318 VanDerWaalsContact O-N 3.17Å
316R85.2Confident93.4Very high169 Ų16937 Ų3764%0.63817%0.171SC*.THydrogen-bonded Turntrans-50-36.7-177.1-170.9177.1-175.8-160.20.4114.4N351R316-N351 PolarHBondContact O-N 2.74Å
317N85.4Confident93.4Very high104 Ų10437 Ų3756%0.55617%0.171SC*.THydrogen-bonded Turntrans-115.1-0.5-175.6-60.7-33.6000113.8S315 N351S315-N317 PolarHBondContact O-N 3.38Å; N317-N351 PolarHBondContact OD1-ND2 2.88Å; N317-N351 VanDerWaalsContact OD1-ND2 3.14Å
318D85.3Confident93.4Very high47 Ų4737 Ų3725%0.25117%0.171SC..BIsolated β-bridgetrans-132.9110.9-176.1-163.712.2000111.5S315 K320 R355S315-D318 PolarHBondContact N-O 2.77Å; S315-D318 PolarHBondContact O-N 3.44Å; S315-D318 VanDerWaalsContact O-N 3.17Å; D318-K320 PolarHBondContact O-N 2.82Å; D318-K320 WeakPolarHBondContact OD1-CG 3.39Å; D318-K320 IonicContact OD1-NZ 3.79Å; D318-K320 WeakPolarHBondContact OD2-CD 3.5Å; D318-K320 VanDerWaalsContact OD2-CE 3.22Å; D318-K320 WeakPolarHBondContact OD2-CE 3.4Å; D318-K320 IonicContact OD2-NZ 3.93Å; D318-K320 PolarHBondContact OD2-NZ 3.06Å; D318-R355 IonicContact OD1-NH1 2.72Å; D318-R355 PolarHBondContact OD1-NH1 2.85Å
319F88.7Confident93.2Very high29 Ų2941 Ų4113%0.12719%0.192CC..  trans-76.562.3175.7-168.7-126.8000111.2V314 W321 V346 V352 R355 V356 C364V314-F319 HydrophobicContact CG1-CD2 4.12Å; V314-F319 HydrophobicContact CG1-CE2 4.36Å; F319-W321 AromaticContact CE2-CH2 3.96Å; F319-W321 HydrophobicContact CE2-CH2 3.96Å; F319-W321 AromaticContact CE2-CZ2 3.68Å; F319-W321 HydrophobicContact CE2-CZ2 3.68Å; F319-W321 HydrophobicContact CZ-CH2 4.38Å; F319-W321 AromaticContact CZ-CZ2 3.71Å; F319-W321 HydrophobicContact CZ-CZ2 3.71Å; F319-V346 HydrophobicContact CD2-CG2 4.5Å; F319-V346 HydrophobicContact CE2-CG2 3.82Å; F319-V352 HydrophobicContact CB-CB 3.95Å; F319-V352 HydrophobicContact CB-CG1 3.96Å; F319-V352 HydrophobicContact CD2-CB 4.43Å; F319-V352 HydrophobicContact CD2-CG2 4.14Å; F319-V352 HydrophobicContact CG-CB 4.44Å; F319-R355 HydrophobicContact CB-CB 4.21Å; F319-R355 HydrophobicContact CD1-CB 4.02Å; F319-R355 HydrophobicContact CG-CB 4.31Å; F319-V356 HydrophobicContact CD2-CG2 3.94Å; F319-V356 HydrophobicContact CE1-CG2 4.18Å; F319-V356 HydrophobicContact CE2-CG2 3.58Å; F319-V356 HydrophobicContact CG-CG2 4.44Å; F319-V356 HydrophobicContact CZ-CG2 3.7Å; F319-C364 HydrophobicContact CZ-CB 4.33Å
320K91.3Very high93Very high119 Ų11941.3 Ų41.352%0.51719%0.194SC..  trans-124.8132.4171.2-68.4-178.2-162.2137.50108.3D318 Q322D318-K320 PolarHBondContact O-N 2.82Å; D318-K320 WeakPolarHBondContact OD1-CG 3.39Å; D318-K320 IonicContact OD1-NZ 3.79Å; D318-K320 WeakPolarHBondContact OD2-CD 3.5Å; D318-K320 VanDerWaalsContact OD2-CE 3.22Å; D318-K320 WeakPolarHBondContact OD2-CE 3.4Å; D318-K320 IonicContact OD2-NZ 3.93Å; D318-K320 PolarHBondContact OD2-NZ 3.06Å; K320-Q322 PolarHBondContact O-N 3.03Å
321W94.2Very high92.7Very high15 Ų1541.3 Ų41.36%0.05719%0.194CC..  trans-69.526.5174.9-54.8112.6000113.3V314 F319 L324 R325 F345 V346 I368 I371 L393V314-W321 HydrophobicContact CG1-CD2 4.05Å; V314-W321 HydrophobicContact CG1-CE3 3.44Å; V314-W321 VanDerWaalsContact CG1-CE3 3.44Å; V314-W321 HydrophobicContact CG1-CH2 4.21Å; V314-W321 HydrophobicContact CG1-CZ3 3.53Å; F319-W321 AromaticContact CE2-CH2 3.96Å; F319-W321 HydrophobicContact CE2-CH2 3.96Å; F319-W321 AromaticContact CE2-CZ2 3.68Å; F319-W321 HydrophobicContact CE2-CZ2 3.68Å; F319-W321 HydrophobicContact CZ-CH2 4.38Å; F319-W321 AromaticContact CZ-CZ2 3.71Å; F319-W321 HydrophobicContact CZ-CZ2 3.71Å; W321-L324 HydrophobicContact CB-CB 4.37Å; W321-L324 HydrophobicContact CE3-CD2 4.42Å; W321-L324 WeakPolarHBondContact O-CB 3.34Å; W321-L324 PolarHBondContact O-N 3.21Å; W321-R325 VanDerWaalsContact O-CG 3.31Å; W321-R325 WeakPolarHBondContact O-CG 3.23Å; W321-R325 PolarHBondContact O-N 3.24Å; W321-F345 HydrophobicContact CZ3-CB 4.25Å; W321-V346 HydrophobicContact CH2-CG2 3.46Å; W321-V346 VanDerWaalsContact CH2-CG2 3.46Å; W321-V346 HydrophobicContact CZ2-CG2 4.45Å; W321-V346 HydrophobicContact CZ3-CG2 3.89Å; W321-I368 HydrophobicContact CD2-CG1 4.34Å; W321-I368 HydrophobicContact CE3-CG1 4.18Å; W321-I368 HydrophobicContact CH2-CD1 3.47Å; W321-I368 VanDerWaalsContact CH2-CD1 3.47Å; W321-I368 HydrophobicContact CH2-CG1 3.5Å; W321-I368 VanDerWaalsContact CH2-CG1 3.5Å; W321-I368 HydrophobicContact CZ2-CD1 4.04Å; W321-I368 HydrophobicContact CZ2-CG1 3.66Å; W321-I368 HydrophobicContact CZ3-CD1 3.87Å; W321-I368 HydrophobicContact CZ3-CG1 3.77Å; W321-I371 HydrophobicContact CB-CD1 3.66Å; W321-I371 HydrophobicContact CD2-CD1 4.48Å; W321-I371 HydrophobicContact CG-CD1 3.56Å; W321-L393 HydrophobicContact CH2-CD1 4.43Å
322Q94.1Very high92.6Very high86 Ų8647.3 Ų47.340%0.40222%0.22SC..Hα-helixtrans-61.9-44.8-176.2-165.964.441.100112.2K320 L324 R325 D326K320-Q322 PolarHBondContact O-N 3.03Å; Q322-L324 VanDerWaalsContact C-N 3.3Å; Q322-L324 PolarHBondContact O-N 3.47Å; Q322-R325 PolarHBondContact O-N 3.48Å; Q322-D326 PolarHBondContact NE2-OD1 2.54Å; Q322-D326 PolarHBondContact NE2-OD2 3.45Å; Q322-D326 VanDerWaalsContact O-CG 3.22Å; Q322-D326 PolarHBondContact O-N 2.79Å
323P93.9Very high92.4Very high0 Ų051.2 Ų51.20%024%0.243CC..Hα-helixtrans-56.8-42.5173.4-2434.5000113.2F313 L327F313-P323 WeakPolarHBondContact O-CD 3.4Å; P323-L327 WeakPolarHBondContact O-CB 3.36Å; P323-L327 PolarHBondContact O-N 3.04Å; P323-L327 VanDerWaalsContact O-N 3.11Å
324L96.7Very high92.2Very high0 Ų052.3 Ų52.30%025%0.248CC..Hα-helixtrans-62.7-47.2175.2-177.459.1000112F313 W321 Q322 D326 L327 L328 I368 I371F313-L324 HydrophobicContact CB-CB 4.18Å; F313-L324 HydrophobicContact CD1-CB 4.3Å; F313-L324 HydrophobicContact CD1-CD1 3.91Å; F313-L324 HydrophobicContact CE1-CD1 4.35Å; F313-L324 HydrophobicContact CG-CD1 4.44Å; W321-L324 HydrophobicContact CB-CB 4.37Å; W321-L324 HydrophobicContact CE3-CD2 4.42Å; W321-L324 WeakPolarHBondContact O-CB 3.34Å; W321-L324 PolarHBondContact O-N 3.21Å; Q322-L324 VanDerWaalsContact C-N 3.3Å; Q322-L324 PolarHBondContact O-N 3.47Å; L324-D326 VanDerWaalsContact C-N 3.33Å; L324-D326 PolarHBondContact O-N 3.01Å; L324-L327 PolarHBondContact O-N 3.14Å; L324-L328 HydrophobicContact CD1-CD1 4Å; L324-L328 HydrophobicContact CD1-CG 4.16Å; L324-L328 HydrophobicContact CG-CD1 3.8Å; L324-L328 HydrophobicContact CG-CG 4.37Å; L324-L328 WeakPolarHBondContact O-CB 3.09Å; L324-L328 WeakPolarHBondContact O-CG 3.25Å; L324-L328 PolarHBondContact O-N 3.48Å; L324-I368 HydrophobicContact CD2-CG2 4.1Å; L324-I371 HydrophobicContact CD2-CG2 4.06Å; L324-I371 HydrophobicContact CG-CG2 4.31Å
325R96Very high92.1Very high111 Ų11153.2 Ų53.242%0.41925%0.253SS..Hα-helixtrans-60.8-43.7-179.1-73.6-177.1-173.6-62.61.4111.9W321 Q322 L328 N329 I371W321-R325 VanDerWaalsContact O-CG 3.31Å; W321-R325 WeakPolarHBondContact O-CG 3.23Å; W321-R325 PolarHBondContact O-N 3.24Å; Q322-R325 PolarHBondContact O-N 3.48Å; R325-L328 PolarHBondContact O-N 3.42Å; R325-N329 PolarHBondContact O-N 2.62Å; R325-N329 PolarHBondContact O-ND2 3.3Å; R325-I371 HydrophobicContact CG-CG2 4.12Å
326D94.8Very high92.4Very high35 Ų3550.8 Ų50.819%0.18724%0.236CC..Hα-helixtrans-68.3-41.3-178.5-64.5-19.5000111Q322 L324 L328 N329 I330 R526 F556Q322-D326 PolarHBondContact NE2-OD1 2.54Å; Q322-D326 PolarHBondContact NE2-OD2 3.45Å; Q322-D326 VanDerWaalsContact O-CG 3.22Å; Q322-D326 PolarHBondContact O-N 2.79Å; L324-D326 VanDerWaalsContact C-N 3.33Å; L324-D326 PolarHBondContact O-N 3.01Å; D326-L328 VanDerWaalsContact C-N 3.33Å; D326-L328 PolarHBondContact O-N 3.39Å; D326-N329 PolarHBondContact O-N 2.95Å; D326-I330 WeakPolarHBondContact O-CG1 3.18Å; D326-I330 PolarHBondContact O-N 3.11Å; D326-R526 VanDerWaalsContact CG-NH1 3.28Å; D326-R526 IonicContact OD2-CZ 2.66Å; D326-R526 IonicContact OD2-NH1 3.12Å; D326-R526 PolarHBondContact OD2-NH1 2.97Å; D326-R526 IonicContact OD2-NH2 3.96Å; D326-R526 PolarHBondContact OD2-NH2 3.43Å; D326-F556 HydrophobicContact CB-CD2 4.22Å; D326-F556 HydrophobicContact CB-CE2 3.92Å
327L96.4Very high92.8Very high0 Ų042.9 Ų42.90%021%0.207CC..Hα-helixtrans-59-44.6171.5178.566.8000111.7A309 F313 P323 L324 N329 I330 C331 L339 L341 Y528 F556A309-L327 HydrophobicContact CB-CD1 4.43Å; A309-L327 HydrophobicContact CB-CD2 3.42Å; A309-L327 VanDerWaalsContact CB-CD2 3.42Å; F313-L327 HydrophobicContact CE1-CD2 3.83Å; P323-L327 WeakPolarHBondContact O-CB 3.36Å; P323-L327 PolarHBondContact O-N 3.04Å; P323-L327 VanDerWaalsContact O-N 3.11Å; L324-L327 PolarHBondContact O-N 3.14Å; L327-N329 VanDerWaalsContact C-N 3.32Å; L327-N329 PolarHBondContact O-N 3.36Å; L327-I330 PolarHBondContact O-N 3.48Å; L327-C331 WeakPolarHBondContact O-CB 3.45Å; L327-C331 PolarHBondContact O-N 3.43Å; L327-L339 HydrophobicContact CD2-CD1 4.47Å; L327-L341 HydrophobicContact CD2-CD2 3.95Å; L327-Y528 HydrophobicContact CD1-CD1 4.35Å; L327-Y528 HydrophobicContact CD1-CD2 4.22Å; L327-Y528 HydrophobicContact CD1-CG 3.93Å; L327-F556 HydrophobicContact CB-CE2 4.07Å; L327-F556 HydrophobicContact CB-CZ 3.82Å; L327-F556 HydrophobicContact CD1-CE1 4.16Å; L327-F556 HydrophobicContact CD1-CZ 4.1Å
328L96.7Very high93.3Very high0 Ų037.9 Ų37.90%018%0.18CC..Hα-helixtrans-67.1-32.4179.8-69.7169.4000112.5L324 R325 D326 I330 C331 K332 L339 I371 I372 A375 L376L324-L328 HydrophobicContact CD1-CD1 4Å; L324-L328 HydrophobicContact CD1-CG 4.16Å; L324-L328 HydrophobicContact CG-CD1 3.8Å; L324-L328 HydrophobicContact CG-CG 4.37Å; L324-L328 WeakPolarHBondContact O-CB 3.09Å; L324-L328 WeakPolarHBondContact O-CG 3.25Å; L324-L328 PolarHBondContact O-N 3.48Å; R325-L328 PolarHBondContact O-N 3.42Å; D326-L328 VanDerWaalsContact C-N 3.33Å; D326-L328 PolarHBondContact O-N 3.39Å; L328-I330 VanDerWaalsContact C-N 3.34Å; L328-C331 PolarHBondContact O-N 3.05Å; L328-K332 VanDerWaalsContact O-CB 3.3Å; L328-K332 WeakPolarHBondContact O-CB 3.1Å; L328-K332 PolarHBondContact O-N 3.09Å; L328-L339 HydrophobicContact CD2-CD2 3.75Å; L328-I371 HydrophobicContact CD1-CG2 3.62Å; L328-I372 HydrophobicContact CD1-CG1 4.09Å; L328-I372 HydrophobicContact CD2-CG1 4.37Å; L328-A375 HydrophobicContact CB-CB 3.77Å; L328-A375 HydrophobicContact CD1-CB 3.94Å; L328-A375 HydrophobicContact CG-CB 4.34Å; L328-L376 HydrophobicContact CD2-CD1 3.9Å; L328-L376 HydrophobicContact CD2-CD2 4.45Å; L328-L376 HydrophobicContact CD2-CG 4.06Å
329N94.7Very high93.9Very high85 Ų8535.7 Ų35.746%0.45517%0.168SC..Hα-helixtrans-64.4-40.4173.8-70.8-25.6000111.5R325 D326 L327 K332 T333R325-N329 PolarHBondContact O-N 2.62Å; R325-N329 PolarHBondContact O-ND2 3.3Å; D326-N329 PolarHBondContact O-N 2.95Å; L327-N329 VanDerWaalsContact C-N 3.32Å; L327-N329 PolarHBondContact O-N 3.36Å; N329-K332 PolarHBondContact O-N 2.91Å; N329-T333 PolarHBondContact O-N 3.31Å; N329-T333 VanDerWaalsContact O-N 3.09Å; N329-T333 PolarHBondContact O-OG1 2.98Å
330I93.9Very high94.4Very high6 Ų634.4 Ų34.43%0.03116%0.163CC..Hα-helixtrans-67.3-48.4174.7-62.9163.3000109.6P133 E135 F307 D326 L327 L328 K332 T333 H334 F556P133-I330 HydrophobicContact CG-CD1 4.13Å; P133-I330 HydrophobicContact CG-CG1 3.98Å; E135-I330 WeakPolarHBondContact OE1-CG2 3.29Å; F307-I330 HydrophobicContact CE2-CG2 4.15Å; D326-I330 WeakPolarHBondContact O-CG1 3.18Å; D326-I330 PolarHBondContact O-N 3.11Å; L327-I330 PolarHBondContact O-N 3.48Å; L328-I330 VanDerWaalsContact C-N 3.34Å; I330-K332 VanDerWaalsContact C-N 3.27Å; I330-K332 PolarHBondContact O-N 3.1Å; I330-T333 WeakPolarHBondContact O-CA 3.47Å; I330-T333 WeakPolarHBondContact O-CB 3.49Å; I330-T333 PolarHBondContact O-N 3.28Å; I330-H334 PolarHBondContact O-CD2 3.26Å; I330-H334 VanDerWaalsContact O-CD2 3.26Å; I330-H334 PolarHBondContact O-N 3.11Å; I330-F556 HydrophobicContact CD1-CB 3.21Å; I330-F556 HydrophobicContact CD1-CD1 4.22Å; I330-F556 HydrophobicContact CD1-CD2 3.29Å; I330-F556 HydrophobicContact CD1-CE2 4.17Å; I330-F556 HydrophobicContact CD1-CG 3.32Å
331C93.9Very high94.7Very high0 Ų028.7 Ų28.70%014%0.138CC..Hα-helixtrans-56-41.3176.4-172.90000112F307 L327 L328 T333 N335 P336 L376F307-C331 HydrophobicContact CD2-CB 4.33Å; L327-C331 WeakPolarHBondContact O-CB 3.45Å; L327-C331 PolarHBondContact O-N 3.43Å; L328-C331 PolarHBondContact O-N 3.05Å; C331-T333 VanDerWaalsContact C-N 3.33Å; C331-T333 PolarHBondContact O-N 2.96Å; C331-N335 VanDerWaalsContact O-CA 3.24Å; C331-N335 WeakPolarHBondContact O-CA 3.4Å; C331-N335 PolarHBondContact O-N 3.31Å; C331-P336 WeakPolarHBondContact O-CD 3.45Å; C331-L376 HydrophobicContact CB-CD2 4.25Å
332K92.6Very high94.9Very high127 Ų12728 Ų2855%0.55214%0.135SC*.Hα-helixtrans-63.2-38.1174.4-175-177.7-175.81750112.6L328 N329 I330 A375 L376L328-K332 VanDerWaalsContact O-CB 3.3Å; L328-K332 WeakPolarHBondContact O-CB 3.1Å; L328-K332 PolarHBondContact O-N 3.09Å; N329-K332 PolarHBondContact O-N 2.91Å; I330-K332 VanDerWaalsContact C-N 3.27Å; I330-K332 PolarHBondContact O-N 3.1Å; K332-A375 WeakPolarHBondContact CD-O 3.4Å; K332-L376 HydrophobicContact CB-CD2 4.39Å
333T91.3Very high95.1Very high93 Ų9323.9 Ų23.957%0.57112%0.116SC*.Hα-helixtrans-71.3-45-179-56.80000111.7N329 I330 C331N329-T333 PolarHBondContact O-N 3.31Å; N329-T333 VanDerWaalsContact O-N 3.09Å; N329-T333 PolarHBondContact O-OG1 2.98Å; I330-T333 WeakPolarHBondContact O-CA 3.47Å; I330-T333 WeakPolarHBondContact O-CB 3.49Å; I330-T333 PolarHBondContact O-N 3.28Å; C331-T333 VanDerWaalsContact C-N 3.33Å; C331-T333 PolarHBondContact O-N 2.96Å
334H91.2Very high95.3Very high22 Ų2224.1 Ų24.110%0.10212%0.117CC..Hα-helixtrans-82.2-30.3-179.5-70.9-79.5000112.9E135 W149 Y151 F307 I330E135-H334 IonicContact OE2-CE1 3.59Å; E135-H334 IonicContact OE2-NE2 2.76Å; E135-H334 PolarHBondContact OE2-NE2 3.25Å; E135-H334 VanDerWaalsContact OE2-NE2 3.11Å; W149-H334 WeakPolarHBondContact CB-ND1 3.45Å; W149-H334 VanDerWaalsContact O-CB 3.27Å; W149-H334 WeakPolarHBondContact O-CB 3.32Å; W149-H334 PolarHBondContact O-ND1 3.13Å; Y151-H334 WeakPolarHBondContact CD2-O 3.37Å; Y151-H334 PolarHBondContact N-O 3.48Å; F307-H334 HydrophobicContact CE2-CB 4.06Å; F307-H334 HydrophobicContact CZ-CB 3.61Å; F307-H334 AromaticContact CZ-CG 3.92Å; I330-H334 PolarHBondContact O-CD2 3.26Å; I330-H334 VanDerWaalsContact O-CD2 3.26Å; I330-H334 PolarHBondContact O-N 3.11Å
335N91Very high95.3Very high19 Ų1924.1 Ų24.110%0.10212%0.118CC..  trans55.257.6178.6-166.842.4000112.9C331 S379 R380C331-N335 VanDerWaalsContact O-CA 3.24Å; C331-N335 WeakPolarHBondContact O-CA 3.4Å; C331-N335 PolarHBondContact O-N 3.31Å; N335-S379 PolarHBondContact OD1-OG 3.14Å; N335-R380 WeakPolarHBondContact ND2-CD 3.37Å; N335-R380 VanDerWaalsContact O-CZ 3.28Å; N335-R380 PolarHBondContact O-NE 3.18Å; N335-R380 PolarHBondContact O-NH2 2.98Å; N335-R380 PolarHBondContact OD1-N 3.26Å
336P93.6Very high95.2Very high0 Ų018.9 Ų18.90%010%0.098CC..  trans-66.6164.5-179.232-37000112Y151 S305 F307 C331 T381Y151-P336 HydrophobicContact CE2-CB 4.49Å; S305-P336 WeakPolarHBondContact OG-CA 3.41Å; F307-P336 HydrophobicContact CB-CG 4.26Å; F307-P336 HydrophobicContact CD1-CB 3.85Å; F307-P336 HydrophobicContact CD1-CG 4.03Å; F307-P336 HydrophobicContact CD2-CG 3.93Å; F307-P336 HydrophobicContact CE1-CB 4.13Å; F307-P336 HydrophobicContact CE1-CG 4.38Å; F307-P336 HydrophobicContact CE2-CG 4.28Å; F307-P336 HydrophobicContact CG-CB 4.13Å; F307-P336 HydrophobicContact CG-CG 3.8Å; C331-P336 WeakPolarHBondContact O-CD 3.45Å; P336-T381 HydrophobicContact CG-CG2 4.3Å; P336-T381 WeakPolarHBondContact O-CA 3.35Å; P336-T381 WeakPolarHBondContact O-CB 3.29Å; P336-T381 PolarHBondContact O-OG1 2.93Å
337D93.1Very high95.1Very high2 Ų217.8 Ų17.81%0.0119%0.093CC..SBendtrans-62.3-47.4173.5-70.1-85.6000109.8I158 L304 S305 R380 T381 T382I158-D337 VanDerWaalsContact CD1-C 3.42Å; I158-D337 HydrophobicContact CD1-CB 3.43Å; I158-D337 VanDerWaalsContact CD1-CB 3.43Å; I158-D337 WeakPolarHBondContact CD1-O 3.36Å; I158-D337 HydrophobicContact CG1-CB 4.2Å; L304-D337 HydrophobicContact CD1-CB 3.93Å; S305-D337 PolarHBondContact N-OD2 3.01Å; S305-D337 WeakPolarHBondContact O-CA 3.5Å; S305-D337 VanDerWaalsContact O-CB 3.22Å; S305-D337 WeakPolarHBondContact O-CB 3.32Å; S305-D337 PolarHBondContact O-N 3.45Å; S305-D337 PolarHBondContact OG-N 2.99Å; S305-D337 PolarHBondContact OG-OD2 3.09Å; D337-R380 VanDerWaalsContact N-NH2 3.17Å; D337-R380 IonicContact OD1-CZ 3.58Å; D337-R380 IonicContact OD1-NH1 2.62Å; D337-R380 PolarHBondContact OD1-NH1 2.82Å; D337-R380 IonicContact OD1-NH2 3.7Å; D337-R380 IonicContact OD2-CZ 3.65Å; D337-R380 IonicContact OD2-NH1 3.41Å; D337-R380 PolarHBondContact OD2-NH1 3.39Å; D337-R380 IonicContact OD2-NH2 2.98Å; D337-R380 PolarHBondContact OD2-NH2 3.41Å; D337-T381 WeakPolarHBondContact O-CA 3.44Å; D337-T382 PolarHBondContact O-N 2.94Å
338I96.2Very high94.9Very high0 Ų021.6 Ų21.60%011%0.111CC..EExtended strand (participates in β ladder)trans-130.4140.8-172.8-60.3176.7000110.9I158 L304 S305 V306 F307 T382 I384 I425I158-I338 HydrophobicContact CD1-CG1 4.08Å; I158-I338 HydrophobicContact CG2-CD1 3.81Å; I158-I338 HydrophobicContact CG2-CG1 4.07Å; L304-I338 HydrophobicContact CD1-CD1 4.02Å; L304-I338 HydrophobicContact CD1-CG1 4.49Å; S305-I338 PolarHBondContact O-N 3.49Å; V306-I338 HydrophobicContact CB-CB 4.45Å; V306-I338 HydrophobicContact CG1-CB 4.05Å; V306-I338 HydrophobicContact CG1-CG2 4Å; V306-I338 HydrophobicContact CG2-CB 4.26Å; V306-I338 HydrophobicContact CG2-CD1 4.34Å; F307-I338 PolarHBondContact N-O 3.09Å; I338-T382 VanDerWaalsContact CA-O 3.3Å; I338-T382 WeakPolarHBondContact CA-O 3.29Å; I338-I384 HydrophobicContact CG2-CD1 3.75Å; I338-I384 HydrophobicContact CG2-CG1 4.14Å; I338-I425 HydrophobicContact CD1-CB 4.4Å; I338-I425 HydrophobicContact CD1-CD1 4.12Å; I338-I425 HydrophobicContact CD1-CG2 3.1Å
339L97.7Very high94.4Very high0 Ų025.6 Ų25.60%013%0.128CC..EExtended strand (participates in β ladder)trans-115.8106.2162.2177.364.1000108.6F307 L327 L328 L341 L376 T381 T382 V383 I384F307-L339 HydrophobicContact CB-CD1 3.79Å; F307-L339 CarbonylContact O-C 3.53Å; F307-L339 WeakPolarHBondContact O-CA 3.22Å; L327-L339 HydrophobicContact CD2-CD1 4.47Å; L328-L339 HydrophobicContact CD2-CD2 3.75Å; L339-L341 HydrophobicContact CD1-CD2 3.92Å; L339-L341 HydrophobicContact CD2-CD1 4.23Å; L339-L341 HydrophobicContact CD2-CD2 3.99Å; L339-L341 HydrophobicContact CD2-CG 4.15Å; L339-L341 HydrophobicContact CG-CD2 3.82Å; L339-L341 HydrophobicContact CG-CG 3.94Å; L339-L376 HydrophobicContact CD2-CD1 4.1Å; L339-T381 HydrophobicContact CB-CG2 3.71Å; L339-T382 PolarHBondContact N-O 3.43Å; L339-V383 HydrophobicContact CB-CG2 4.47Å; L339-V383 HydrophobicContact CD2-CG2 4.5Å; L339-V383 CarbonylContact O-C 3.51Å; L339-V383 WeakPolarHBondContact O-CA 3.5Å; L339-I384 PolarHBondContact O-N 3.29Å
340L98.6Very high94Very high2 Ų222 Ų221%0.0111%0.109CC..EExtended strand (participates in β ladder)trans-90105174.4178.160.5000109.4F307 I308 A309 I342 I384 I386 V432 I500F307-L340 PolarHBondContact O-N 3.31Å; I308-L340 HydrophobicContact CG1-CB 4.41Å; I308-L340 HydrophobicContact CG1-CD2 4.39Å; I308-L340 HydrophobicContact CG2-CD2 4.16Å; A309-L340 PolarHBondContact N-O 3.2Å; L340-I342 HydrophobicContact CD1-CG1 4.39Å; L340-I342 HydrophobicContact CD2-CD1 4.3Å; L340-I342 HydrophobicContact CG-CD1 4.3Å; L340-I342 HydrophobicContact CG-CG1 4.08Å; L340-I384 HydrophobicContact CD1-CB 3.84Å; L340-I384 HydrophobicContact CD1-CG2 3.59Å; L340-I386 HydrophobicContact CD1-CD1 4.19Å; L340-I386 HydrophobicContact CD1-CG1 3.76Å; L340-V432 HydrophobicContact CD2-CG1 4.41Å; L340-V432 HydrophobicContact CD2-CG2 4.01Å; L340-I500 HydrophobicContact CD2-CG1 4.16Å
341L98.6Very high93.7Very high0 Ų026.9 Ų26.90%014%0.136CC..EExtended strand (participates in β ladder)trans-98.4118175.3-60.4178.1000109.5A309 F313 L327 L339 F345 I372 V383 I384 V385 I386A309-L341 HydrophobicContact CB-CD2 4.15Å; A309-L341 WeakPolarHBondContact O-CA 3.45Å; F313-L341 HydrophobicContact CE1-CD2 3.88Å; F313-L341 HydrophobicContact CZ-CB 4.3Å; F313-L341 HydrophobicContact CZ-CD2 3.71Å; L327-L341 HydrophobicContact CD2-CD2 3.95Å; L339-L341 HydrophobicContact CD1-CD2 3.92Å; L339-L341 HydrophobicContact CD2-CD1 4.23Å; L339-L341 HydrophobicContact CD2-CD2 3.99Å; L339-L341 HydrophobicContact CD2-CG 4.15Å; L339-L341 HydrophobicContact CG-CD2 3.82Å; L339-L341 HydrophobicContact CG-CG 3.94Å; L341-F345 HydrophobicContact CB-CZ 4.35Å; L341-F345 HydrophobicContact CD1-CE1 4.37Å; L341-F345 HydrophobicContact CD1-CZ 4.42Å; L341-I372 HydrophobicContact CD1-CD1 3.67Å; L341-I372 HydrophobicContact CD1-CG1 4.42Å; L341-V383 HydrophobicContact CD1-CG1 3.85Å; L341-V383 HydrophobicContact CG-CG1 4.28Å; L341-I384 PolarHBondContact N-O 3.25Å; L341-V385 HydrophobicContact CB-CG2 4.49Å; L341-V385 CarbonylContact O-C 3.58Å; L341-V385 WeakPolarHBondContact O-CA 3.15Å; L341-I386 PolarHBondContact O-N 2.92Å
342I98.8Very high93.5Very high0 Ų027 Ų270%014%0.136CC..EExtended strand (participates in β ladder)trans-108130.3179.2-54.9167.9000108I308 A309 A310 G311 F313 L340 I386 V432 I500 P502I308-I342 HydrophobicContact CG2-CD1 4.28Å; A309-I342 PolarHBondContact O-N 2.95Å; A310-I342 WeakPolarHBondContact CA-O 3.22Å; A310-I342 HydrophobicContact CB-CB 4.17Å; G311-I342 PolarHBondContact N-O 3.29Å; F313-I342 WeakPolarHBondContact CE2-O 3.4Å; L340-I342 HydrophobicContact CD1-CG1 4.39Å; L340-I342 HydrophobicContact CD2-CD1 4.3Å; L340-I342 HydrophobicContact CG-CD1 4.3Å; L340-I342 HydrophobicContact CG-CG1 4.08Å; I342-I386 HydrophobicContact CG1-CB 4.33Å; I342-I386 HydrophobicContact CG1-CG1 4.19Å; I342-I386 HydrophobicContact CG2-CB 4.3Å; I342-I386 HydrophobicContact CG2-CG2 4.5Å; I342-V432 HydrophobicContact CD1-CG1 3.51Å; I342-V432 HydrophobicContact CG1-CG1 3.86Å; I342-I500 HydrophobicContact CD1-CB 4.26Å; I342-I500 HydrophobicContact CD1-CG2 3.43Å; I342-I500 VanDerWaalsContact CD1-CG2 3.43Å; I342-P502 HydrophobicContact CD1-CG 3.85Å; I342-P502 HydrophobicContact CG2-CG 4.17Å
343G97.9Very high93.2Very high0 Ų024.9 Ų24.90%013%0.13CC..SBendtrans-57.5172.7175.900000113.5I386G343-I386 PolarHBondContact N-O 3.46Å
344P97.3Very high93Very high4 Ų427.5 Ų27.53%0.02614%0.136CC..  cis-80.2143.21.331.6-36000112.5G311 S312 D391G311-P344 VanDerWaalsContact CA-O 3.28Å; G311-P344 WeakPolarHBondContact CA-O 3.38Å; S312-P344 VanDerWaalsContact CA-O 3.25Å; S312-P344 WeakPolarHBondContact CA-O 3.49Å; P344-D391 HydrophobicContact CB-CB 3.59Å
345F96.6Very high93Very high1 Ų131.9 Ų31.90%0.00415%0.152CC..SBendtrans-64.4-46.9166.2-73.4-83000111.5S312 F313 W321 L341 F365 I368 V385 D391 L393 Y403S312-F345 PolarHBondContact OG-O 3.34Å; F313-F345 HydrophobicContact CB-CD1 4.2Å; F313-F345 AromaticContact CD2-CD1 3.57Å; F313-F345 HydrophobicContact CD2-CD1 3.57Å; F313-F345 AromaticContact CD2-CE1 3.96Å; F313-F345 HydrophobicContact CD2-CE1 3.96Å; F313-F345 HydrophobicContact CD2-CG 4.21Å; F313-F345 HydrophobicContact CE2-CD1 4.19Å; F313-F345 HydrophobicContact CE2-CE1 4.16Å; F313-F345 HydrophobicContact CG-CD1 4.07Å; F313-F345 HydrophobicContact CG-CE1 4.48Å; F313-F345 PolarHBondContact N-O 3.07Å; W321-F345 HydrophobicContact CZ3-CB 4.25Å; L341-F345 HydrophobicContact CB-CZ 4.35Å; L341-F345 HydrophobicContact CD1-CE1 4.37Å; L341-F345 HydrophobicContact CD1-CZ 4.42Å; F345-F365 HydrophobicContact CD2-CE2 4.48Å; F345-F365 HydrophobicContact CE2-CE2 4.38Å; F345-I368 HydrophobicContact CB-CD1 3.62Å; F345-I368 HydrophobicContact CD1-CD1 3.84Å; F345-I368 HydrophobicContact CD1-CG1 4.4Å; F345-I368 HydrophobicContact CD1-CG2 3.79Å; F345-I368 HydrophobicContact CD2-CD1 4.25Å; F345-I368 HydrophobicContact CE1-CG2 3.56Å; F345-I368 HydrophobicContact CG-CD1 3.64Å; F345-I368 HydrophobicContact CG-CG2 4.48Å; F345-I368 HydrophobicContact CZ-CG2 4.07Å; F345-V385 HydrophobicContact CE2-CG1 3.55Å; F345-V385 HydrophobicContact CZ-CG1 3.74Å; F345-D391 WeakPolarHBondContact CA-OD2 3.34Å; F345-D391 WeakPolarHBondContact CB-OD2 3.35Å; F345-D391 PolarHBondContact N-OD2 2.91Å; F345-L393 HydrophobicContact CB-CD1 4.36Å; F345-Y403 HydrophobicContact CD2-CE2 4.08Å; F345-Y403 AromaticContact CD2-CZ 3.86Å; F345-Y403 AromaticContact CE2-CE2 3.78Å; F345-Y403 HydrophobicContact CE2-CE2 3.78Å
346V95.1Very high92.9Very high0 Ų031.3 Ų31.30%015%0.149CC..SBendtrans-126104.3172.2-172.70000108V314 F319 W321 C350 V352 V356 D391 I392 L393V314-V346 HydrophobicContact CG1-CG2 4.42Å; V314-V346 HydrophobicContact CG2-CB 4.39Å; V314-V346 HydrophobicContact CG2-CG1 4.01Å; V314-V346 HydrophobicContact CG2-CG2 4.18Å; F319-V346 HydrophobicContact CD2-CG2 4.5Å; F319-V346 HydrophobicContact CE2-CG2 3.82Å; W321-V346 HydrophobicContact CH2-CG2 3.46Å; W321-V346 VanDerWaalsContact CH2-CG2 3.46Å; W321-V346 HydrophobicContact CZ2-CG2 4.45Å; W321-V346 HydrophobicContact CZ3-CG2 3.89Å; V346-C350 HydrophobicContact CG1-CB 4.5Å; V346-V352 HydrophobicContact CG1-CG2 3.62Å; V346-V356 HydrophobicContact CG1-CG2 4.25Å; V346-D391 PolarHBondContact N-OD1 3.49Å; V346-I392 HydrophobicContact CB-CD1 3.86Å; V346-I392 HydrophobicContact CB-CG1 3.82Å; V346-I392 HydrophobicContact CG1-CD1 3.41Å; V346-I392 VanDerWaalsContact CG1-CD1 3.41Å; V346-I392 HydrophobicContact CG1-CG1 3.93Å; V346-I392 PolarHBondContact O-N 3.02Å; V346-I392 VanDerWaalsContact O-N 3.13Å; V346-L393 HydrophobicContact CG2-CD1 4.23Å
347S93.1Very high92.7Very high13 Ų1335.5 Ų35.59%0.09118%0.178CC..BIsolated β-bridgetrans-64.2142.2179.3177.30000110.6S312 K349 C350 Q390S312-S347 PolarHBondContact OG-N 3.13Å; S347-K349 PolarHBondContact O-N 3.48Å; S347-K349 VanDerWaalsContact O-N 3.11Å; S347-K349 WeakPolarHBondContact OG-CB 3.44Å; S347-K349 PolarHBondContact OG-N 3.01Å; S347-K349 VanDerWaalsContact OG-N 3.13Å; S347-C350 VanDerWaalsContact O-CB 3.27Å; S347-C350 WeakPolarHBondContact O-CB 3.44Å; S347-C350 PolarHBondContact O-N 3.19Å; S347-Q390 WeakPolarHBondContact CA-O 3.26Å
348E90.6Very high92.6Very high79 Ų7943.8 Ų43.837%0.36921%0.214SC..THydrogen-bonded Turntrans-53.6-24.616763.8178.4-168.200113.4C350 Q390 I392E348-C350 PolarHBondContact O-N 3.45Å; E348-Q390 HydrophobicContact CG-CB 4.46Å; E348-Q390 PolarHBondContact N-O 3.18Å; E348-I392 HydrophobicContact CB-CG2 4.14Å
349K86.7Confident92.3Very high85 Ų8546 Ų4637%0.3723%0.228SC..THydrogen-bonded Turntrans-74.8-5.3176.7-56.7-178.9-176.7179.70113.3S347 D504S347-K349 PolarHBondContact O-N 3.48Å; S347-K349 VanDerWaalsContact O-N 3.11Å; S347-K349 WeakPolarHBondContact OG-CB 3.44Å; S347-K349 PolarHBondContact OG-N 3.01Å; S347-K349 VanDerWaalsContact OG-N 3.13Å; K349-D504 IonicContact NZ-OD2 3.6Å; K349-D504 PolarHBondContact NZ-OD2 3.29Å
350C86.2Confident91.9Very high9 Ų947.3 Ų47.36%0.06124%0.241CC..SBendtrans-87135.7179.6-660000111.7V346 S347 E348 V352V346-C350 HydrophobicContact CG1-CB 4.5Å; S347-C350 VanDerWaalsContact O-CB 3.27Å; S347-C350 WeakPolarHBondContact O-CB 3.44Å; S347-C350 PolarHBondContact O-N 3.19Å; E348-C350 PolarHBondContact O-N 3.45Å; C350-V352 HydrophobicContact CB-CG2 3.71Å; C350-V352 PolarHBondContact O-N 3.32Å
351N88.6Confident91.4Very high108 Ų10850.2 Ų50.258%0.57826%0.261SS*.THydrogen-bonded Turntrans-78.444.2178.2-63.9-20.6000112.1R316 N317R316-N351 PolarHBondContact O-N 2.74Å; N317-N351 PolarHBondContact OD1-ND2 2.88Å; N317-N351 VanDerWaalsContact OD1-ND2 3.14Å
352V88.3Confident90.9Very high2 Ų255.7 Ų55.71%0.01229%0.287CS..THydrogen-bonded Turntrans-129.35.6-174.3-59.20000113.4F319 V346 C350 E354 R355 V356F319-V352 HydrophobicContact CB-CB 3.95Å; F319-V352 HydrophobicContact CB-CG1 3.96Å; F319-V352 HydrophobicContact CD2-CB 4.43Å; F319-V352 HydrophobicContact CD2-CG2 4.14Å; F319-V352 HydrophobicContact CG-CB 4.44Å; V346-V352 HydrophobicContact CG1-CG2 3.62Å; C350-V352 HydrophobicContact CB-CG2 3.71Å; C350-V352 PolarHBondContact O-N 3.32Å; V352-E354 VanDerWaalsContact C-N 3.27Å; V352-E354 PolarHBondContact O-N 3.27Å; V352-R355 WeakPolarHBondContact O-CA 3.39Å; V352-R355 WeakPolarHBondContact O-CB 3.33Å; V352-R355 PolarHBondContact O-N 3.36Å; V352-V356 HydrophobicContact CG2-CG2 4.41Å; V352-V356 PolarHBondContact O-N 3.45Å
353I86.1Confident90.5Very high83 Ų8362.6 Ų62.643%0.42632%0.317SS..Hα-helixtrans-55-42.1-177.3-62.3172.4000111.4R355 V356 S357I353-R355 VanDerWaalsContact C-N 3.29Å; I353-R355 PolarHBondContact O-N 2.73Å; I353-V356 PolarHBondContact O-N 3.04Å; I353-S357 WeakPolarHBondContact O-CB 3.47Å; I353-S357 PolarHBondContact O-N 3.06Å; I353-S357 PolarHBondContact O-OG 3.21Å
354E88.8Confident90.2Very high149 Ų14962.6 Ų62.670%0.69632%0.317SS*.Hα-helixtrans-61-37.5176.8-66.1-175.9178.700112.6V352 S357 K358V352-E354 VanDerWaalsContact C-N 3.27Å; V352-E354 PolarHBondContact O-N 3.27Å; E354-S357 PolarHBondContact O-N 3.43Å; E354-K358 WeakPolarHBondContact O-CG 2.99Å; E354-K358 PolarHBondContact O-N 3.23Å; E354-K358 VanDerWaalsContact O-N 3.08Å
355R89.4Confident89.8Confident114 Ų11463.1 Ų63.143%0.4332%0.319SS..Hα-helixtrans-69.8-41.9178.2-60.9-176.6-175.7176.99110.6D318 F319 V352 I353 S357 K358 V359D318-R355 IonicContact OD1-NH1 2.72Å; D318-R355 PolarHBondContact OD1-NH1 2.85Å; F319-R355 HydrophobicContact CB-CB 4.21Å; F319-R355 HydrophobicContact CD1-CB 4.02Å; F319-R355 HydrophobicContact CG-CB 4.31Å; V352-R355 WeakPolarHBondContact O-CA 3.39Å; V352-R355 WeakPolarHBondContact O-CB 3.33Å; V352-R355 PolarHBondContact O-N 3.36Å; I353-R355 VanDerWaalsContact C-N 3.29Å; I353-R355 PolarHBondContact O-N 2.73Å; R355-S357 VanDerWaalsContact C-N 3.34Å; R355-K358 PolarHBondContact O-N 3.48Å; R355-V359 WeakPolarHBondContact O-CG2 3.27Å; R355-V359 PolarHBondContact O-N 3.27Å
356V89.4Confident89.5Confident7 Ų764.6 Ų64.64%0.04233%0.331CS..Hα-helixtrans-64.3-41.7175.9177.10000110.7F319 V346 V352 I353 K358 V359 G360 I392 L393F319-V356 HydrophobicContact CD2-CG2 3.94Å; F319-V356 HydrophobicContact CE1-CG2 4.18Å; F319-V356 HydrophobicContact CE2-CG2 3.58Å; F319-V356 HydrophobicContact CG-CG2 4.44Å; F319-V356 HydrophobicContact CZ-CG2 3.7Å; V346-V356 HydrophobicContact CG1-CG2 4.25Å; V352-V356 HydrophobicContact CG2-CG2 4.41Å; V352-V356 PolarHBondContact O-N 3.45Å; I353-V356 PolarHBondContact O-N 3.04Å; V356-K358 VanDerWaalsContact C-N 3.33Å; V356-K358 PolarHBondContact O-N 3.21Å; V356-V359 PolarHBondContact O-N 3.49Å; V356-V359 VanDerWaalsContact O-N 3.17Å; V356-G360 PolarHBondContact O-N 3.4Å; V356-I392 HydrophobicContact CB-CD1 3.65Å; V356-I392 HydrophobicContact CG1-CD1 3.62Å; V356-I392 HydrophobicContact CG1-CG1 4.22Å; V356-I392 HydrophobicContact CG2-CD1 3.49Å; V356-I392 VanDerWaalsContact CG2-CD1 3.49Å; V356-L393 HydrophobicContact CG1-CD2 3.78Å
357S89.5Confident89.3Confident88 Ų8868.2 Ų68.262%0.61535%0.348SS*.Hα-helixtrans-61.3-39.8177.4-58.50000112.3I353 E354 R355 V359I353-S357 WeakPolarHBondContact O-CB 3.47Å; I353-S357 PolarHBondContact O-N 3.06Å; I353-S357 PolarHBondContact O-OG 3.21Å; E354-S357 PolarHBondContact O-N 3.43Å; R355-S357 VanDerWaalsContact C-N 3.34Å; S357-V359 PolarHBondContact O-N 3.47Å
358K91.9Very high89.3Confident175 Ų17567.6 Ų67.676%0.76134%0.344SS*.Hα-helixtrans-65-35.4175.3-74.6172.4-177.6175.20113.1E354 R355 V356E354-K358 WeakPolarHBondContact O-CG 2.99Å; E354-K358 PolarHBondContact O-N 3.23Å; E354-K358 VanDerWaalsContact O-N 3.08Å; R355-K358 PolarHBondContact O-N 3.48Å; V356-K358 VanDerWaalsContact C-N 3.33Å; V356-K358 PolarHBondContact O-N 3.21Å
359V89.4Confident89.4Confident48 Ų4864.3 Ų64.329%0.29133%0.328SS..Hα-helixtrans-83.2-37.8179.8176.40000111.6R355 V356 S357 K363 C364R355-V359 WeakPolarHBondContact O-CG2 3.27Å; R355-V359 PolarHBondContact O-N 3.27Å; V356-V359 PolarHBondContact O-N 3.49Å; V356-V359 VanDerWaalsContact O-N 3.17Å; S357-V359 PolarHBondContact O-N 3.47Å; V359-K363 HydrophobicContact CG1-CB 3.84Å; V359-K363 WeakPolarHBondContact O-CD 3.24Å; V359-C364 VanDerWaalsContact CG1-SG 3.51Å
360G89.7Confident89.7Confident27 Ų2763.4 Ų63.428%0.27833%0.333SS..  trans91.5137.2-172.700000112.5V356 E362 K363 C364V356-G360 PolarHBondContact O-N 3.4Å; G360-E362 PolarHBondContact O-N 3.36Å; G360-K363 PolarHBondContact O-N 3.38Å; G360-K363 VanDerWaalsContact O-N 3.12Å; G360-C364 PolarHBondContact O-N 2.82Å; G360-C364 PolarHBondContact O-SG 3.17Å; G360-C364 VanDerWaalsContact O-SG 3.39Å
361S87.8Confident90.1Very high62 Ų6263.4 Ų63.443%0.43433%0.332SS..Hα-helixtrans-56.9-44.6-17554.20000113.4K363 C364 F365S361-K363 VanDerWaalsContact C-N 3.31Å; S361-K363 PolarHBondContact O-N 3.14Å; S361-C364 PolarHBondContact O-N 2.81Å; S361-F365 PolarHBondContact O-N 3.44Å
362E87.8Confident90.4Very high115 Ų11558.3 Ų58.354%0.53731%0.305SS..Hα-helixtrans-58.9-41.3177.5-66.8-168.5171.300112.2G360 A366 R407G360-E362 PolarHBondContact O-N 3.36Å; E362-A366 WeakPolarHBondContact O-CB 3.33Å; E362-A366 PolarHBondContact O-N 3.14Å; E362-R407 IonicContact OE1-NH1 3.92Å; E362-R407 IonicContact OE2-CZ 3.72Å; E362-R407 IonicContact OE2-NH1 2.77Å; E362-R407 PolarHBondContact OE2-NH1 2.9Å
363K89.8Confident90.6Very high146 Ų14659.8 Ų59.864%0.63532%0.315SS*.Hα-helixtrans-72.5-39.4179.3-69.3-169.7-168.61660111.4V359 G360 S361 F365 A366 Q367V359-K363 HydrophobicContact CG1-CB 3.84Å; V359-K363 WeakPolarHBondContact O-CD 3.24Å; G360-K363 PolarHBondContact O-N 3.38Å; G360-K363 VanDerWaalsContact O-N 3.12Å; S361-K363 VanDerWaalsContact C-N 3.31Å; S361-K363 PolarHBondContact O-N 3.14Å; K363-F365 VanDerWaalsContact C-N 3.33Å; K363-A366 PolarHBondContact O-N 3.04Å; K363-Q367 WeakPolarHBondContact O-CG 3.29Å; K363-Q367 PolarHBondContact O-N 3.24Å
364C91.3Very high90.9Very high0 Ų060.7 Ų60.70%033%0.325CS..Hα-helixtrans-59.6-45.5173.4-68.30000111.1F319 V359 G360 S361 A366 Q367 I368 L393F319-C364 HydrophobicContact CZ-CB 4.33Å; V359-C364 VanDerWaalsContact CG1-SG 3.51Å; G360-C364 PolarHBondContact O-N 2.82Å; G360-C364 PolarHBondContact O-SG 3.17Å; G360-C364 VanDerWaalsContact O-SG 3.39Å; S361-C364 PolarHBondContact O-N 2.81Å; C364-A366 PolarHBondContact O-N 3.43Å; C364-Q367 WeakPolarHBondContact O-CB 3.44Å; C364-Q367 PolarHBondContact O-N 2.9Å; C364-I368 WeakPolarHBondContact O-CG1 3.26Å; C364-I368 PolarHBondContact O-N 3.33Å; C364-I368 VanDerWaalsContact O-N 3.16Å; C364-L393 HydrophobicContact CB-CD1 4.2Å; C364-L393 HydrophobicContact CB-CD2 3.77Å
365F90.7Very high91.1Very high15 Ų1554.5 Ų54.57%0.06630%0.299CS..Hα-helixtrans-65.7-40.1177.6-162.9-103.1000112.3F345 S361 K363 Q367 I368 I369 L393 Y403 P405 L408 F416F345-F365 HydrophobicContact CD2-CE2 4.48Å; F345-F365 HydrophobicContact CE2-CE2 4.38Å; S361-F365 PolarHBondContact O-N 3.44Å; K363-F365 VanDerWaalsContact C-N 3.33Å; F365-Q367 VanDerWaalsContact C-N 3.27Å; F365-Q367 PolarHBondContact O-N 3.43Å; F365-I368 HydrophobicContact CD2-CD1 4.09Å; F365-I368 WeakPolarHBondContact O-CB 3.37Å; F365-I368 PolarHBondContact O-N 3.38Å; F365-I368 VanDerWaalsContact O-N 3.1Å; F365-I369 HydrophobicContact CD1-CG1 4.09Å; F365-I369 HydrophobicContact CE1-CD1 3.97Å; F365-I369 HydrophobicContact CE1-CG1 3.85Å; F365-I369 HydrophobicContact CZ-CD1 4.07Å; F365-I369 HydrophobicContact CZ-CG1 4.41Å; F365-I369 WeakPolarHBondContact O-CG1 3.43Å; F365-I369 PolarHBondContact O-N 2.78Å; F365-L393 HydrophobicContact CD2-CD1 4.49Å; F365-Y403 HydrophobicContact CD2-CD1 4.07Å; F365-Y403 HydrophobicContact CD2-CG 4.4Å; F365-Y403 HydrophobicContact CE1-CG 4.49Å; F365-Y403 AromaticContact CE2-CD1 3.5Å; F365-Y403 HydrophobicContact CE2-CD1 3.5Å; F365-Y403 AromaticContact CE2-CD2 3.89Å; F365-Y403 HydrophobicContact CE2-CD2 3.89Å; F365-Y403 HydrophobicContact CE2-CE1 4.03Å; F365-Y403 HydrophobicContact CE2-CE2 4.35Å; F365-Y403 AromaticContact CE2-CG 3.45Å; F365-Y403 HydrophobicContact CE2-CG 3.45Å; F365-Y403 VanDerWaalsContact CE2-CG 3.45Å; F365-Y403 AromaticContact CZ-CD1 3.99Å; F365-Y403 HydrophobicContact CZ-CD1 3.99Å; F365-Y403 AromaticContact CZ-CD2 3.95Å; F365-Y403 HydrophobicContact CZ-CD2 3.95Å; F365-Y403 AromaticContact CZ-CG 3.5Å; F365-Y403 HydrophobicContact CZ-CG 3.5Å; F365-Y403 VanDerWaalsContact CZ-CG 3.5Å; F365-P405 HydrophobicContact CE1-CB 4.37Å; F365-L408 HydrophobicContact CD1-CD1 4.37Å; F365-F416 HydrophobicContact CE1-CE1 4.07Å; F365-F416 HydrophobicContact CE1-CZ 4.35Å; F365-F416 HydrophobicContact CZ-CD1 4.29Å; F365-F416 AromaticContact CZ-CE1 3.63Å; F365-F416 HydrophobicContact CZ-CE1 3.63Å; F365-F416 HydrophobicContact CZ-CZ 4.33Å
366A89.8Confident91.2Very high31 Ų3149.8 Ų49.826%0.25628%0.282SS..Hα-helixtrans-58.3-37.7172.300000113.1E362 K363 C364 I369 S370 L408E362-A366 WeakPolarHBondContact O-CB 3.33Å; E362-A366 PolarHBondContact O-N 3.14Å; K363-A366 PolarHBondContact O-N 3.04Å; C364-A366 PolarHBondContact O-N 3.43Å; A366-I369 PolarHBondContact O-N 3.25Å; A366-S370 WeakPolarHBondContact O-CB 3.44Å; A366-S370 PolarHBondContact O-N 3.5Å; A366-L408 HydrophobicContact CB-CD1 4.03Å; A366-L408 HydrophobicContact CB-CD2 3.88Å; A366-L408 HydrophobicContact CB-CG 4.31Å
367Q91.6Very high91.3Very high77 Ų7753.7 Ų53.736%0.3631%0.31SS..Hα-helixtrans-62.2-45173.2-70.5173.41.400111.6K363 C364 F365 I369 S370 I371K363-Q367 WeakPolarHBondContact O-CG 3.29Å; K363-Q367 PolarHBondContact O-N 3.24Å; C364-Q367 WeakPolarHBondContact O-CB 3.44Å; C364-Q367 PolarHBondContact O-N 2.9Å; F365-Q367 VanDerWaalsContact C-N 3.27Å; F365-Q367 PolarHBondContact O-N 3.43Å; Q367-I369 PolarHBondContact O-N 2.89Å; Q367-S370 PolarHBondContact O-N 3.2Å; Q367-I371 WeakPolarHBondContact O-CB 3.34Å; Q367-I371 WeakPolarHBondContact O-CG1 3.38Å; Q367-I371 PolarHBondContact O-N 2.73Å
368I93Very high91.1Very high0 Ų053.3 Ų53.30%032%0.32CS..Hα-helixtrans-57.1-50.7177.8-62.5166.2000110.3W321 L324 F345 C364 F365 S370 I371 I372 L393W321-I368 HydrophobicContact CD2-CG1 4.34Å; W321-I368 HydrophobicContact CE3-CG1 4.18Å; W321-I368 HydrophobicContact CH2-CD1 3.47Å; W321-I368 VanDerWaalsContact CH2-CD1 3.47Å; W321-I368 HydrophobicContact CH2-CG1 3.5Å; W321-I368 VanDerWaalsContact CH2-CG1 3.5Å; W321-I368 HydrophobicContact CZ2-CD1 4.04Å; W321-I368 HydrophobicContact CZ2-CG1 3.66Å; W321-I368 HydrophobicContact CZ3-CD1 3.87Å; W321-I368 HydrophobicContact CZ3-CG1 3.77Å; L324-I368 HydrophobicContact CD2-CG2 4.1Å; F345-I368 HydrophobicContact CB-CD1 3.62Å; F345-I368 HydrophobicContact CD1-CD1 3.84Å; F345-I368 HydrophobicContact CD1-CG1 4.4Å; F345-I368 HydrophobicContact CD1-CG2 3.79Å; F345-I368 HydrophobicContact CD2-CD1 4.25Å; F345-I368 HydrophobicContact CE1-CG2 3.56Å; F345-I368 HydrophobicContact CG-CD1 3.64Å; F345-I368 HydrophobicContact CG-CG2 4.48Å; F345-I368 HydrophobicContact CZ-CG2 4.07Å; C364-I368 WeakPolarHBondContact O-CG1 3.26Å; C364-I368 PolarHBondContact O-N 3.33Å; C364-I368 VanDerWaalsContact O-N 3.16Å; F365-I368 HydrophobicContact CD2-CD1 4.09Å; F365-I368 WeakPolarHBondContact O-CB 3.37Å; F365-I368 PolarHBondContact O-N 3.38Å; F365-I368 VanDerWaalsContact O-N 3.1Å; I368-S370 VanDerWaalsContact C-N 3.33Å; I368-S370 PolarHBondContact O-N 2.92Å; I368-I371 PolarHBondContact O-N 3.45Å; I368-I372 HydrophobicContact CG2-CD1 3.75Å; I368-I372 HydrophobicContact CG2-CG1 4.49Å; I368-I372 WeakPolarHBondContact O-CG1 3.3Å; I368-I372 PolarHBondContact O-N 3.14Å; I368-L393 HydrophobicContact CD1-CD1 3.66Å
369I92.4Very high90.9Very high9 Ų945.6 Ų45.65%0.04629%0.288CS..Hα-helixtrans-63.2-40.1-179.3-60.1-48.1000111.6F365 A366 Q367 S373 L408 I414 F416F365-I369 HydrophobicContact CD1-CG1 4.09Å; F365-I369 HydrophobicContact CE1-CD1 3.97Å; F365-I369 HydrophobicContact CE1-CG1 3.85Å; F365-I369 HydrophobicContact CZ-CD1 4.07Å; F365-I369 HydrophobicContact CZ-CG1 4.41Å; F365-I369 WeakPolarHBondContact O-CG1 3.43Å; F365-I369 PolarHBondContact O-N 2.78Å; A366-I369 PolarHBondContact O-N 3.25Å; Q367-I369 PolarHBondContact O-N 2.89Å; I369-S373 VanDerWaalsContact O-CB 3.27Å; I369-S373 WeakPolarHBondContact O-CB 3.09Å; I369-S373 PolarHBondContact O-N 3.03Å; I369-S373 PolarHBondContact O-OG 2.72Å; I369-L408 HydrophobicContact CB-CD1 4.22Å; I369-L408 HydrophobicContact CB-CD2 4.48Å; I369-L408 HydrophobicContact CG1-CD1 4.02Å; I369-L408 HydrophobicContact CG2-CD2 4.45Å; I369-I414 HydrophobicContact CG2-CD1 4.23Å; I369-F416 HydrophobicContact CD1-CE1 3.95Å; I369-F416 HydrophobicContact CD1-CZ 3.64Å; I369-F416 HydrophobicContact CG1-CZ 4.49Å
370S92Very high90.9Very high66 Ų6644 Ų4446%0.46228%0.277SS..Hα-helixtrans-61.8-45.5174.2174.10000111.6A366 Q367 I368 I372 S373 T374A366-S370 WeakPolarHBondContact O-CB 3.44Å; A366-S370 PolarHBondContact O-N 3.5Å; Q367-S370 PolarHBondContact O-N 3.2Å; I368-S370 VanDerWaalsContact C-N 3.33Å; I368-S370 PolarHBondContact O-N 2.92Å; S370-I372 PolarHBondContact O-N 2.84Å; S370-S373 PolarHBondContact O-N 2.94Å; S370-T374 WeakPolarHBondContact O-CB 3.48Å; S370-T374 PolarHBondContact O-N 3.36Å; S370-T374 PolarHBondContact O-OG1 2.92Å
371I94.1Very high91.1Very high10 Ų1042.9 Ų42.95%0.05127%0.265CS..Hα-helixtrans-60.3-47.8179.1-70169000111.1W321 L324 R325 L328 Q367 I368 A375W321-I371 HydrophobicContact CB-CD1 3.66Å; W321-I371 HydrophobicContact CD2-CD1 4.48Å; W321-I371 HydrophobicContact CG-CD1 3.56Å; L324-I371 HydrophobicContact CD2-CG2 4.06Å; L324-I371 HydrophobicContact CG-CG2 4.31Å; R325-I371 HydrophobicContact CG-CG2 4.12Å; L328-I371 HydrophobicContact CD1-CG2 3.62Å; Q367-I371 WeakPolarHBondContact O-CB 3.34Å; Q367-I371 WeakPolarHBondContact O-CG1 3.38Å; Q367-I371 PolarHBondContact O-N 2.73Å; I368-I371 PolarHBondContact O-N 3.45Å; I371-A375 VanDerWaalsContact O-CB 3.26Å; I371-A375 WeakPolarHBondContact O-CB 3.35Å; I371-A375 PolarHBondContact O-N 3.1Å
372I94.9Very high91.4Very high1 Ų140.8 Ų40.81%0.00525%0.249CC..Hα-helixtrans-62.6-50.5178.7-66.4168.6000110.4L328 L341 I368 S370 T374 A375 L376 V383 I414L328-I372 HydrophobicContact CD1-CG1 4.09Å; L328-I372 HydrophobicContact CD2-CG1 4.37Å; L341-I372 HydrophobicContact CD1-CD1 3.67Å; L341-I372 HydrophobicContact CD1-CG1 4.42Å; I368-I372 HydrophobicContact CG2-CD1 3.75Å; I368-I372 HydrophobicContact CG2-CG1 4.49Å; I368-I372 WeakPolarHBondContact O-CG1 3.3Å; I368-I372 PolarHBondContact O-N 3.14Å; S370-I372 PolarHBondContact O-N 2.84Å; I372-T374 VanDerWaalsContact C-N 3.35Å; I372-T374 PolarHBondContact O-N 3.34Å; I372-A375 PolarHBondContact O-N 3.37Å; I372-L376 HydrophobicContact CG2-CD1 4.3Å; I372-L376 PolarHBondContact O-N 2.94Å; I372-V383 HydrophobicContact CG2-CB 4.48Å; I372-V383 HydrophobicContact CG2-CG1 4.24Å; I372-V383 HydrophobicContact CG2-CG2 3.89Å; I372-I414 HydrophobicContact CB-CD1 4.49Å; I372-I414 HydrophobicContact CG2-CD1 3.92Å
373S92.7Very high91.8Very high32 Ų3235.5 Ų35.522%0.22423%0.225CC..Hα-helixtrans-62.9-40.9-176.5-56.50000112I369 S370 S377I369-S373 VanDerWaalsContact O-CB 3.27Å; I369-S373 WeakPolarHBondContact O-CB 3.09Å; I369-S373 PolarHBondContact O-N 3.03Å; I369-S373 PolarHBondContact O-OG 2.72Å; S370-S373 PolarHBondContact O-N 2.94Å; S373-S377 WeakPolarHBondContact O-CA 3.46Å; S373-S377 WeakPolarHBondContact O-CB 3.46Å; S373-S377 PolarHBondContact O-N 3.41Å
374T93.2Very high92.1Very high102 Ų10228.6 Ų28.663%0.62620%0.195SC*.Hα-helixtrans-68.8-45.2177.1-61.50000111.7S370 I372 L376 S377S370-T374 WeakPolarHBondContact O-CB 3.48Å; S370-T374 PolarHBondContact O-N 3.36Å; S370-T374 PolarHBondContact O-OG1 2.92Å; I372-T374 VanDerWaalsContact C-N 3.35Å; I372-T374 PolarHBondContact O-N 3.34Å; T374-L376 PolarHBondContact O-N 2.94Å; T374-S377 WeakPolarHBondContact O-CB 3.4Å; T374-S377 PolarHBondContact O-N 2.66Å
375A93.3Very high92.4Very high19 Ų1928.6 Ų28.616%0.15720%0.195CC..Hα-helixtrans-66.2-38.9-17700000112.5L328 K332 I371 I372L328-A375 HydrophobicContact CB-CB 3.77Å; L328-A375 HydrophobicContact CD1-CB 3.94Å; L328-A375 HydrophobicContact CG-CB 4.34Å; K332-A375 WeakPolarHBondContact CD-O 3.4Å; I371-A375 VanDerWaalsContact O-CB 3.26Å; I371-A375 WeakPolarHBondContact O-CB 3.35Å; I371-A375 PolarHBondContact O-N 3.1Å; I372-A375 PolarHBondContact O-N 3.37Å
376L92.2Very high92.8Very high15 Ų1527.9 Ų27.98%0.07919%0.192CC..THydrogen-bonded Turntrans-10016.5-178.6-57-179.6000112.9L328 C331 K332 L339 I372 T374 G378 S379 T381 V383L328-L376 HydrophobicContact CD2-CD1 3.9Å; L328-L376 HydrophobicContact CD2-CD2 4.45Å; L328-L376 HydrophobicContact CD2-CG 4.06Å; C331-L376 HydrophobicContact CB-CD2 4.25Å; K332-L376 HydrophobicContact CB-CD2 4.39Å; L339-L376 HydrophobicContact CD2-CD1 4.1Å; I372-L376 HydrophobicContact CG2-CD1 4.3Å; I372-L376 PolarHBondContact O-N 2.94Å; T374-L376 PolarHBondContact O-N 2.94Å; L376-G378 PolarHBondContact O-N 3.28Å; L376-S379 VanDerWaalsContact O-CB 3.23Å; L376-S379 WeakPolarHBondContact O-CB 3.41Å; L376-S379 PolarHBondContact O-N 3.37Å; L376-T381 HydrophobicContact CD1-CG2 4.42Å; L376-V383 HydrophobicContact CD1-CG2 3.62Å
377S89.8Confident93.1Very high89 Ų8926.4 Ų26.462%0.62218%0.179SC*.THydrogen-bonded Turntrans-59.3124.6174.2-178.40000110.4S373 T374 S379S373-S377 WeakPolarHBondContact O-CA 3.46Å; S373-S377 WeakPolarHBondContact O-CB 3.46Å; S373-S377 PolarHBondContact O-N 3.41Å; T374-S377 WeakPolarHBondContact O-CB 3.4Å; T374-S377 PolarHBondContact O-N 2.66Å; S377-S379 PolarHBondContact O-N 3.07Å
378G86Confident93.4Very high81 Ų8122.8 Ų22.884%0.83516%0.163SC*.THydrogen-bonded Turntrans78.6-4-17600000115.2L376L376-G378 PolarHBondContact O-N 3.28Å
379S88.1Confident93.5Very high13 Ų1323.3 Ų23.39%0.09117%0.168CC..  trans-72.6155.5172.9172.80000111.4N335 L376 S377 T381 K413N335-S379 PolarHBondContact OD1-OG 3.14Å; L376-S379 VanDerWaalsContact O-CB 3.23Å; L376-S379 WeakPolarHBondContact O-CB 3.41Å; L376-S379 PolarHBondContact O-N 3.37Å; S377-S379 PolarHBondContact O-N 3.07Å; S379-T381 VanDerWaalsContact C-N 3.33Å; S379-T381 WeakPolarHBondContact OG-CB 3.3Å; S379-T381 PolarHBondContact OG-N 3.36Å; S379-T381 PolarHBondContact OG-OG1 3.38Å; S379-K413 PolarHBondContact O-NZ 3.31Å
380R88.5Confident93.7Very high15 Ų1523.5 Ų23.56%0.05717%0.169CC..  trans-79-17.3171.375.9-167.4-172.587.92.8112.8S305 N335 D337 T382S305-R380 PolarHBondContact OG-NH2 3.29Å; N335-R380 WeakPolarHBondContact ND2-CD 3.37Å; N335-R380 VanDerWaalsContact O-CZ 3.28Å; N335-R380 PolarHBondContact O-NE 3.18Å; N335-R380 PolarHBondContact O-NH2 2.98Å; N335-R380 PolarHBondContact OD1-N 3.26Å; D337-R380 VanDerWaalsContact N-NH2 3.17Å; D337-R380 IonicContact OD1-CZ 3.58Å; D337-R380 IonicContact OD1-NH1 2.62Å; D337-R380 PolarHBondContact OD1-NH1 2.82Å; D337-R380 IonicContact OD1-NH2 3.7Å; D337-R380 IonicContact OD2-CZ 3.65Å; D337-R380 IonicContact OD2-NH1 3.41Å; D337-R380 PolarHBondContact OD2-NH1 3.39Å; D337-R380 IonicContact OD2-NH2 2.98Å; D337-R380 PolarHBondContact OD2-NH2 3.41Å; R380-T382 PolarHBondContact O-N 2.76Å
381T93.4Very high93.9Very high3 Ų320.5 Ų20.52%0.01815%0.148CC..PPolyproline II helixtrans-58.9129.5-171.7-55.80000112.4P336 D337 L339 L376 S379P336-T381 HydrophobicContact CG-CG2 4.3Å; P336-T381 WeakPolarHBondContact O-CA 3.35Å; P336-T381 WeakPolarHBondContact O-CB 3.29Å; P336-T381 PolarHBondContact O-OG1 2.93Å; D337-T381 WeakPolarHBondContact O-CA 3.44Å; L339-T381 HydrophobicContact CB-CG2 3.71Å; L376-T381 HydrophobicContact CD1-CG2 4.42Å; S379-T381 VanDerWaalsContact C-N 3.33Å; S379-T381 WeakPolarHBondContact OG-CB 3.3Å; S379-T381 PolarHBondContact OG-N 3.36Å; S379-T381 PolarHBondContact OG-OG1 3.38Å
382T94.5Very high93.9Very high18 Ų1822.4 Ų22.411%0.1116%0.157CC..EExtended strand (participates in β ladder)trans-90.9125.1166.7-60.60000108.7V160 D337 I338 L339 R380 L415V160-T382 HydrophobicContact CG2-CG2 4.37Å; D337-T382 PolarHBondContact O-N 2.94Å; I338-T382 VanDerWaalsContact CA-O 3.3Å; I338-T382 WeakPolarHBondContact CA-O 3.29Å; L339-T382 PolarHBondContact N-O 3.43Å; R380-T382 PolarHBondContact O-N 2.76Å; T382-L415 HydrophobicContact CG2-CD1 3.96Å; T382-L415 HydrophobicContact CG2-CG 4.35Å
383V96.1Very high93.8Very high4 Ų423.4 Ų23.42%0.02416%0.163CC..EExtended strand (participates in β ladder)trans-96124.5179.6-173.20000108.8L339 L341 I372 L376 V385 K413 I414 L415L339-V383 HydrophobicContact CB-CG2 4.47Å; L339-V383 HydrophobicContact CD2-CG2 4.5Å; L339-V383 CarbonylContact O-C 3.51Å; L339-V383 WeakPolarHBondContact O-CA 3.5Å; L341-V383 HydrophobicContact CD1-CG1 3.85Å; L341-V383 HydrophobicContact CG-CG1 4.28Å; I372-V383 HydrophobicContact CG2-CB 4.48Å; I372-V383 HydrophobicContact CG2-CG1 4.24Å; I372-V383 HydrophobicContact CG2-CG2 3.89Å; L376-V383 HydrophobicContact CD1-CG2 3.62Å; V383-V385 HydrophobicContact CG1-CG2 4.06Å; V383-K413 PolarHBondContact N-O 2.84Å; V383-I414 HydrophobicContact CB-CG1 4.21Å; V383-I414 HydrophobicContact CB-CG2 4.43Å; V383-I414 HydrophobicContact CG1-CG2 4.49Å; V383-I414 CarbonylContact O-C 3.52Å; V383-I414 WeakPolarHBondContact O-CA 3.33Å; V383-L415 PolarHBondContact O-N 2.89Å
384I97.3Very high93.8Very high0 Ų023.1 Ų23.10%016%0.162CC..EExtended strand (participates in β ladder)trans-109129.5173.6-59.3175.2000107.1V160 I338 L339 L340 L341 I386 L415 F417 L423 I425V160-I384 HydrophobicContact CB-CD1 4.49Å; V160-I384 HydrophobicContact CG1-CD1 3.66Å; V160-I384 HydrophobicContact CG1-CG1 4.23Å; V160-I384 HydrophobicContact CG2-CD1 4.01Å; I338-I384 HydrophobicContact CG2-CD1 3.75Å; I338-I384 HydrophobicContact CG2-CG1 4.14Å; L339-I384 PolarHBondContact O-N 3.29Å; L340-I384 HydrophobicContact CD1-CB 3.84Å; L340-I384 HydrophobicContact CD1-CG2 3.59Å; L341-I384 PolarHBondContact N-O 3.25Å; I384-I386 HydrophobicContact CG2-CD1 3.98Å; I384-L415 CarbonylContact C-O 3.57Å; I384-L415 WeakPolarHBondContact CA-O 3.38Å; I384-F417 HydrophobicContact CG2-CD2 3.69Å; I384-F417 HydrophobicContact CG2-CE2 3.92Å; I384-L423 HydrophobicContact CD1-CD1 4.37Å; I384-L423 HydrophobicContact CG2-CD1 3.83Å; I384-I425 HydrophobicContact CD1-CD1 3.71Å; I384-I425 HydrophobicContact CD1-CG1 4.47Å
385V97.2Very high93.8Very high0 Ų020.5 Ų20.50%014%0.143CC..EExtended strand (participates in β ladder)trans-119.3119.6-179.5-177.80000109.5L341 F345 V383 Y403 I414 L415 F416 F417L341-V385 HydrophobicContact CB-CG2 4.49Å; L341-V385 CarbonylContact O-C 3.58Å; L341-V385 WeakPolarHBondContact O-CA 3.15Å; F345-V385 HydrophobicContact CE2-CG1 3.55Å; F345-V385 HydrophobicContact CZ-CG1 3.74Å; V383-V385 HydrophobicContact CG1-CG2 4.06Å; V385-Y403 HydrophobicContact CG1-CD2 3.71Å; V385-Y403 HydrophobicContact CG1-CE2 3.71Å; V385-I414 HydrophobicContact CG2-CG2 4.03Å; V385-L415 PolarHBondContact N-O 3.44Å; V385-F416 HydrophobicContact CB-CD1 3.68Å; V385-F416 HydrophobicContact CB-CE1 3.92Å; V385-F416 HydrophobicContact CG1-CD1 3.96Å; V385-F416 HydrophobicContact CG1-CE1 4.13Å; V385-F416 HydrophobicContact CG2-CD1 4.26Å; V385-F416 HydrophobicContact CG2-CE1 4.01Å; V385-F416 WeakPolarHBondContact O-CA 3.24Å; V385-F417 PolarHBondContact O-N 2.9Å
386I98Very high93.9Very high0 Ų022.5 Ų22.50%016%0.155CC..EExtended strand (participates in β ladder)trans-99.9131.6174.6-50.9-54.4000108.9L340 L341 I342 G343 I384 F417 D419 L423 V432L340-I386 HydrophobicContact CD1-CD1 4.19Å; L340-I386 HydrophobicContact CD1-CG1 3.76Å; L341-I386 PolarHBondContact O-N 2.92Å; I342-I386 HydrophobicContact CG1-CB 4.33Å; I342-I386 HydrophobicContact CG1-CG1 4.19Å; I342-I386 HydrophobicContact CG2-CB 4.3Å; I342-I386 HydrophobicContact CG2-CG2 4.5Å; G343-I386 PolarHBondContact N-O 3.46Å; I384-I386 HydrophobicContact CG2-CD1 3.98Å; I386-F417 HydrophobicContact CD1-CB 3.75Å; I386-F417 HydrophobicContact CD1-CD2 4.4Å; I386-F417 HydrophobicContact CD1-CG 4.5Å; I386-D419 HydrophobicContact CG2-CB 4.19Å; I386-L423 HydrophobicContact CD1-CD1 4.31Å; I386-V432 HydrophobicContact CG1-CB 4.4Å; I386-V432 HydrophobicContact CG1-CG1 3.8Å; I386-V432 HydrophobicContact CG2-CG1 4.38Å
387S97.2Very high94.1Very high0 Ų022.3 Ų22.30%015%0.154CC..  trans-66.4172.6175.558.20000113.1C400 P401 Y403 F417 D419 S434S387-C400 PolarHBondContact OG-O 2.79Å; S387-P401 WeakPolarHBondContact CB-O 3.49Å; S387-P401 PolarHBondContact OG-O 3.29Å; S387-Y403 VanDerWaalsContact CA-CE2 3.4Å; S387-F417 PolarHBondContact N-O 2.97Å; S387-D419 WeakPolarHBondContact O-CB 3.5Å; S387-D419 PolarHBondContact OG-N 3.46Å; S387-S434 WeakPolarHBondContact O-CB 3.35Å; S387-S434 PolarHBondContact O-OG 3.25Å
388S97.6Very high94.4Very high1 Ų118.1 Ų18.11%0.00712%0.124CC..  trans-151.7130.9173.8-177.80000110.1Q390 D391 A394 S434S388-Q390 PolarHBondContact O-N 3.26Å; S388-Q390 VanDerWaalsContact O-N 3.16Å; S388-Q390 PolarHBondContact OG-N 3.46Å; S388-D391 WeakPolarHBondContact O-CB 3.28Å; S388-D391 PolarHBondContact O-N 3.04Å; S388-D391 VanDerWaalsContact O-N 3.07Å; S388-A394 VanDerWaalsContact O-CB 3.25Å; S388-A394 WeakPolarHBondContact O-CB 3.48Å; S388-S434 WeakPolarHBondContact CA-OG 3.17Å; S388-S434 WeakPolarHBondContact CB-OG 3.43Å; S388-S434 PolarHBondContact OG-OG 2.98Å
389G96.2Very high94.9Very high12 Ų1214.4 Ų14.412%0.1249%0.085CC..THydrogen-bonded Turntrans-65.3-12.4174.300000113.7P396G389-P396 WeakPolarHBondContact O-CA 3.48Å
390Q95.5Very high95.4Very high12 Ų1213.8 Ų13.86%0.0568%0.081CC..THydrogen-bonded Turntrans-98.57.7176.2-65.2179.9-23.600112.6S347 E348 S388 E478S347-Q390 WeakPolarHBondContact CA-O 3.26Å; E348-Q390 HydrophobicContact CG-CB 4.46Å; E348-Q390 PolarHBondContact N-O 3.18Å; S388-Q390 PolarHBondContact O-N 3.26Å; S388-Q390 VanDerWaalsContact O-N 3.16Å; S388-Q390 PolarHBondContact OG-N 3.46Å; Q390-E478 PolarHBondContact NE2-OE1 2.86Å
391D95.6Very high95.7Very high3 Ų313.4 Ų13.42%0.0168%0.081CC..BIsolated β-bridgetrans-90.6123.4172.3-163.8-21.3000109.9P344 F345 V346 S388 L393 A394 Y403P344-D391 HydrophobicContact CB-CB 3.59Å; F345-D391 WeakPolarHBondContact CA-OD2 3.34Å; F345-D391 WeakPolarHBondContact CB-OD2 3.35Å; F345-D391 PolarHBondContact N-OD2 2.91Å; V346-D391 PolarHBondContact N-OD1 3.49Å; S388-D391 WeakPolarHBondContact O-CB 3.28Å; S388-D391 PolarHBondContact O-N 3.04Å; S388-D391 VanDerWaalsContact O-N 3.07Å; D391-L393 PolarHBondContact O-N 3.22Å; D391-L393 WeakPolarHBondContact OD1-CB 3.19Å; D391-L393 WeakPolarHBondContact OD1-CG 3.46Å; D391-L393 PolarHBondContact OD1-N 2.92Å; D391-A394 HydrophobicContact CB-CB 3.92Å; D391-A394 PolarHBondContact O-N 3.46Å; D391-Y403 PolarHBondContact OD2-OH 3.24Å
392I93.8Very high95.8Very high50 Ų5014.3 Ų14.326%0.2569%0.087SC..THydrogen-bonded Turntrans-63.6-13.3176.169.3177.4000112.8V346 E348 V356V346-I392 HydrophobicContact CB-CD1 3.86Å; V346-I392 HydrophobicContact CB-CG1 3.82Å; V346-I392 HydrophobicContact CG1-CD1 3.41Å; V346-I392 VanDerWaalsContact CG1-CD1 3.41Å; V346-I392 HydrophobicContact CG1-CG1 3.93Å; V346-I392 PolarHBondContact O-N 3.02Å; V346-I392 VanDerWaalsContact O-N 3.13Å; E348-I392 HydrophobicContact CB-CG2 4.14Å; V356-I392 HydrophobicContact CB-CD1 3.65Å; V356-I392 HydrophobicContact CG1-CD1 3.62Å; V356-I392 HydrophobicContact CG1-CG1 4.22Å; V356-I392 HydrophobicContact CG2-CD1 3.49Å; V356-I392 VanDerWaalsContact CG2-CD1 3.49Å
393L93Very high95.7Very high23 Ų2314.1 Ų14.112%0.128%0.084CC..THydrogen-bonded Turntrans-90.9-8.9175.3-53.5-178.3000113.2W321 F345 V346 V356 C364 F365 I368 D391W321-L393 HydrophobicContact CH2-CD1 4.43Å; F345-L393 HydrophobicContact CB-CD1 4.36Å; V346-L393 HydrophobicContact CG2-CD1 4.23Å; V356-L393 HydrophobicContact CG1-CD2 3.78Å; C364-L393 HydrophobicContact CB-CD1 4.2Å; C364-L393 HydrophobicContact CB-CD2 3.77Å; F365-L393 HydrophobicContact CD2-CD1 4.49Å; I368-L393 HydrophobicContact CD1-CD1 3.66Å; D391-L393 PolarHBondContact O-N 3.22Å; D391-L393 WeakPolarHBondContact OD1-CB 3.19Å; D391-L393 WeakPolarHBondContact OD1-CG 3.46Å; D391-L393 PolarHBondContact OD1-N 2.92Å
394A93.6Very high95Very high25 Ų2517.7 Ų17.721%0.20711%0.109CC..SBendtrans-108.4-177.4-179.600000111.8S388 D391 Y403S388-A394 VanDerWaalsContact O-CB 3.25Å; S388-A394 WeakPolarHBondContact O-CB 3.48Å; D391-A394 HydrophobicContact CB-CB 3.92Å; D391-A394 PolarHBondContact O-N 3.46Å; A394-Y403 HydrophobicContact CB-CD1 4.32Å; A394-Y403 HydrophobicContact CB-CE1 3.71Å
395E93.4Very high93.7Very high47 Ų4719 Ų1922%0.2212%0.118CC..  trans-81.1133.2170.2-65.2-174.6-172.800110.4T172 Y175 V397 C400 P401T172-E395 VanDerWaalsContact CB-OE1 3.32Å; T172-E395 WeakPolarHBondContact CB-OE1 3.37Å; T172-E395 VanDerWaalsContact CG2-CD 3.49Å; T172-E395 WeakPolarHBondContact CG2-OE1 3.43Å; T172-E395 WeakPolarHBondContact CG2-OE2 3.43Å; T172-E395 PolarHBondContact OG1-OE1 2.89Å; Y175-E395 WeakPolarHBondContact CE1-OE2 3.21Å; E395-V397 HydrophobicContact CB-CG1 4.2Å; E395-V397 PolarHBondContact O-N 3.32Å; E395-C400 PolarHBondContact O-SG 2.89Å; E395-P401 HydrophobicContact CB-CG 4.21Å; E395-P401 HydrophobicContact CG-CG 4.19Å; E395-P401 WeakPolarHBondContact OE2-CG 3.1Å
396P94.5Very high92.2Very high62 Ų6229.2 Ų29.240%0.40316%0.156SC..SBendtrans-83.355.1-171.136.3-38.5000112G389 N480G389-P396 WeakPolarHBondContact O-CA 3.48Å; P396-N480 WeakPolarHBondContact O-CB 3.27Å; P396-N480 PolarHBondContact O-ND2 2.98Å
397V95.8Very high90.4Very high11 Ų1138.7 Ų38.77%0.06719%0.192CC..SBendtrans-140.6146.4-177.763.70000110.6Y175 E395 P399 C400 N480 D482Y175-V397 HydrophobicContact CD1-CB 4.38Å; Y175-V397 HydrophobicContact CD1-CG1 3.93Å; Y175-V397 HydrophobicContact CD2-CB 4.02Å; Y175-V397 HydrophobicContact CD2-CG1 4.41Å; Y175-V397 HydrophobicContact CD2-CG2 4.29Å; Y175-V397 HydrophobicContact CE1-CG1 4.19Å; Y175-V397 HydrophobicContact CE2-CB 4.48Å; Y175-V397 HydrophobicContact CG-CB 4.02Å; Y175-V397 HydrophobicContact CG-CG1 4.09Å; Y175-V397 HydrophobicContact CG-CG2 4.02Å; E395-V397 HydrophobicContact CB-CG1 4.2Å; E395-V397 PolarHBondContact O-N 3.32Å; V397-P399 CarbonylContact O-C 3.58Å; V397-C400 WeakPolarHBondContact O-CA 3.21Å; V397-C400 WeakPolarHBondContact O-CB 3.39Å; V397-C400 PolarHBondContact O-N 2.78Å; V397-N480 WeakPolarHBondContact CA-O 3.46Å; V397-D482 HydrophobicContact CG2-CB 3.86Å
398F97.2Very high88.7Confident0 Ų040.9 Ų40.90%020%0.204CC..BIsolated β-bridgetrans-118.7130.7169.9-177.5-94.3000110.6P420 T435 F469 Y470 L479 N480 L481 D482 L486F398-P420 HydrophobicContact CE2-CG 4.36Å; F398-P420 HydrophobicContact CZ-CG 4.04Å; F398-T435 WeakPolarHBondContact CD2-OG1 3.42Å; F398-T435 WeakPolarHBondContact CE2-OG1 3.43Å; F398-F469 HydrophobicContact CZ-CB 4.41Å; F398-Y470 HydrophobicContact CE1-CD2 4.47Å; F398-Y470 HydrophobicContact CE1-CG 4.19Å; F398-L479 HydrophobicContact CB-CD1 3.66Å; F398-L479 HydrophobicContact CB-CD2 4.41Å; F398-L479 HydrophobicContact CB-CG 4.14Å; F398-L479 HydrophobicContact CD1-CD2 4.21Å; F398-L479 HydrophobicContact CG-CD1 4.13Å; F398-L479 HydrophobicContact CG-CD2 4.41Å; F398-N480 PolarHBondContact N-O 3.28Å; F398-L481 HydrophobicContact CD1-CD1 3.69Å; F398-L481 HydrophobicContact CE1-CD1 4.37Å; F398-D482 PolarHBondContact O-N 3.16Å; F398-L486 HydrophobicContact CD1-CD1 4.26Å; F398-L486 HydrophobicContact CE1-CD1 3.66Å
399P97.5Very high86.9Confident3 Ų346.4 Ų46.42%0.01924%0.24CC..SBendcis-56.2136.5-8.2-2938.3000114.3L169 V397 D419 A485L169-P399 HydrophobicContact CD2-CB 4.16Å; V397-P399 CarbonylContact O-C 3.58Å; P399-D419 CarbonylContact C-O 3.18Å; P399-D419 WeakPolarHBondContact CA-O 3.48Å; P399-D419 WeakPolarHBondContact CB-O 3.5Å; P399-A485 HydrophobicContact CG-CB 4.38Å
400C96.8Very high85.3Confident0 Ų052.6 Ų52.60%027%0.267CS..BIsolated β-bridgetrans-94127.2-178.3-169.20000110.4S387 E395 V397 S418 D419S387-C400 PolarHBondContact OG-O 2.79Å; E395-C400 PolarHBondContact O-SG 2.89Å; V397-C400 WeakPolarHBondContact O-CA 3.21Å; V397-C400 WeakPolarHBondContact O-CB 3.39Å; V397-C400 PolarHBondContact O-N 2.78Å; C400-S418 WeakPolarHBondContact O-CA 3.47Å; C400-S418 VanDerWaalsContact O-CB 3.23Å; C400-S418 WeakPolarHBondContact O-CB 3.4Å; C400-D419 HydrophobicContact CB-CB 4Å; C400-D419 PolarHBondContact N-O 2.81Å; C400-D419 PolarHBondContact O-N 3.04Å
401P96.4Very high84Confident7 Ų755.6 Ų55.65%0.04528%0.281CS..PPolyproline II helixtrans-65.1161.6176.228.4-35000112L169 S387 E395L169-P401 HydrophobicContact CD2-CB 4.01Å; L169-P401 HydrophobicContact CG-CB 4.22Å; S387-P401 WeakPolarHBondContact CB-O 3.49Å; S387-P401 PolarHBondContact OG-O 3.29Å; E395-P401 HydrophobicContact CB-CG 4.21Å; E395-P401 HydrophobicContact CG-CG 4.19Å; E395-P401 WeakPolarHBondContact OE2-CG 3.1Å
402P95.1Very high82.9Confident23 Ų2360.9 Ų60.915%0.14932%0.315CS..PPolyproline II helixtrans-62151.2176.5-14.727.1000111.1L169 S404 F416L169-P402 WeakPolarHBondContact O-CD 3.41Å; L169-P402 WeakPolarHBondContact O-CG 3.33Å; P402-S404 PolarHBondContact O-N 2.82Å; P402-F416 HydrophobicContact CB-CB 4.23Å
403Y92.1Very high82.5Confident13 Ų1361.8 Ų61.85%0.05132%0.317CS..PPolyproline II helixtrans-55.7136.9168.6-60.5-78.3000110.2F345 F365 V385 S387 D391 A394 P405 F416F345-Y403 HydrophobicContact CD2-CE2 4.08Å; F345-Y403 AromaticContact CD2-CZ 3.86Å; F345-Y403 AromaticContact CE2-CE2 3.78Å; F345-Y403 HydrophobicContact CE2-CE2 3.78Å; F365-Y403 HydrophobicContact CD2-CD1 4.07Å; F365-Y403 HydrophobicContact CD2-CG 4.4Å; F365-Y403 HydrophobicContact CE1-CG 4.49Å; F365-Y403 AromaticContact CE2-CD1 3.5Å; F365-Y403 HydrophobicContact CE2-CD1 3.5Å; F365-Y403 AromaticContact CE2-CD2 3.89Å; F365-Y403 HydrophobicContact CE2-CD2 3.89Å; F365-Y403 HydrophobicContact CE2-CE1 4.03Å; F365-Y403 HydrophobicContact CE2-CE2 4.35Å; F365-Y403 AromaticContact CE2-CG 3.45Å; F365-Y403 HydrophobicContact CE2-CG 3.45Å; F365-Y403 VanDerWaalsContact CE2-CG 3.45Å; F365-Y403 AromaticContact CZ-CD1 3.99Å; F365-Y403 HydrophobicContact CZ-CD1 3.99Å; F365-Y403 AromaticContact CZ-CD2 3.95Å; F365-Y403 HydrophobicContact CZ-CD2 3.95Å; F365-Y403 AromaticContact CZ-CG 3.5Å; F365-Y403 HydrophobicContact CZ-CG 3.5Å; F365-Y403 VanDerWaalsContact CZ-CG 3.5Å; V385-Y403 HydrophobicContact CG1-CD2 3.71Å; V385-Y403 HydrophobicContact CG1-CE2 3.71Å; S387-Y403 VanDerWaalsContact CA-CE2 3.4Å; D391-Y403 PolarHBondContact OD2-OH 3.24Å; A394-Y403 HydrophobicContact CB-CD1 4.32Å; A394-Y403 HydrophobicContact CB-CE1 3.71Å; Y403-P405 WeakPolarHBondContact O-CD 3.36Å; Y403-F416 HydrophobicContact CD2-CD1 4.32Å
404S82.1Confident82.5Confident79 Ų7961 Ų6155%0.55231%0.313SS*.  trans-105.291.4-178.4-72.50000110.9P402 R406P402-S404 PolarHBondContact O-N 2.82Å; S404-R406 PolarHBondContact O-N 3.04Å
405P68.6Low82.5Confident28 Ų2862.1 Ų62.118%0.18232%0.315CS..  trans-7666.2175.933.3-36.7000110.2F365 Y403 R407 L408 F416F365-P405 HydrophobicContact CE1-CB 4.37Å; Y403-P405 WeakPolarHBondContact O-CD 3.36Å; P405-R407 PolarHBondContact O-N 2.89Å; P405-L408 HydrophobicContact CB-CB 4.26Å; P405-L408 HydrophobicContact CB-CD1 4.15Å; P405-F416 HydrophobicContact CG-CD2 4.21Å; P405-F416 HydrophobicContact CG-CE2 3.88Å; P405-F416 HydrophobicContact CG-CZ 4.38Å
406R66.5Low82.6Confident215 Ų21561.7 Ų61.781%0.81131%0.313SS*.THydrogen-bonded Turntrans-60.3-10.7-175.7-68.4-173.3177.9177.51.8114.2S404S404-R406 PolarHBondContact O-N 3.04Å
407R60.7Low82.7Confident199 Ų19960 Ų6075%0.75130%0.299SS*.THydrogen-bonded Turntrans-137.47.4-170.1-65.3-179173.7163.7-7115.4E362 P405E362-R407 IonicContact OE1-NH1 3.92Å; E362-R407 IonicContact OE2-CZ 3.72Å; E362-R407 IonicContact OE2-NH1 2.77Å; E362-R407 PolarHBondContact OE2-NH1 2.9Å; P405-R407 PolarHBondContact O-N 2.89Å
408L61.2Low82.8Confident46 Ų4659.5 Ų59.524%0.24130%0.297CS..SBendtrans-106.5140179.1-73.9144.7000109.6F365 A366 I369 P405 M410F365-L408 HydrophobicContact CD1-CD1 4.37Å; A366-L408 HydrophobicContact CB-CD1 4.03Å; A366-L408 HydrophobicContact CB-CD2 3.88Å; A366-L408 HydrophobicContact CB-CG 4.31Å; I369-L408 HydrophobicContact CB-CD1 4.22Å; I369-L408 HydrophobicContact CB-CD2 4.48Å; I369-L408 HydrophobicContact CG1-CD1 4.02Å; I369-L408 HydrophobicContact CG2-CD2 4.45Å; P405-L408 HydrophobicContact CB-CB 4.26Å; P405-L408 HydrophobicContact CB-CD1 4.15Å; L408-M410 PolarHBondContact O-N 3.37Å
409P59.4Low82.8Confident117 Ų11759.5 Ų59.576%0.7630%0.297SS*.  trans-53.1114.7164.9-17.628.7000107.6H411P409-H411 PolarHBondContact O-N 2.87Å
410M61.9Low82.8Confident142 Ų14259.4 Ų59.470%0.730%0.296SS*.  trans-64103.5175.1-98172.872.100107.2L408 P412L408-M410 PolarHBondContact O-N 3.37Å; M410-P412 WeakPolarHBondContact O-CD 3.31Å
411H69.7Low82.9Confident74 Ų7459.6 Ų59.634%0.34330%0.297SS..  trans-62.6122.8168.5-170.7-83.8000106.8P409 K413 I414P409-H411 PolarHBondContact O-N 2.87Å; H411-K413 PolarHBondContact ND1-N 3.46Å; H411-K413 PolarHBondContact O-N 2.97Å; H411-I414 HydrophobicContact CB-CD1 4.04Å; H411-I414 HydrophobicContact CB-CG1 4.12Å; H411-I414 PolarHBondContact O-N 3.42Å
412P70.8Confident83Confident114 Ų11459.7 Ų59.774%0.7430%0.297SS*.THydrogen-bonded Turntrans-63.6-13.3-168.623.8-34.4000113.8M410M410-P412 WeakPolarHBondContact O-CD 3.31Å
413K86.2Confident83.1Confident70 Ų7058.6 Ų58.630%0.30429%0.29SS..THydrogen-bonded Turntrans-94.50.6176.2-54-168.4-178.3-168.90114.9S379 V383 H411S379-K413 PolarHBondContact O-NZ 3.31Å; V383-K413 PolarHBondContact N-O 2.84Å; H411-K413 PolarHBondContact ND1-N 3.46Å; H411-K413 PolarHBondContact O-N 2.97Å
414I93Very high83.3Confident5 Ų559 Ų593%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-109112.8176.6-52.1178.6000108.6I369 I372 V383 V385 H411 F416I369-I414 HydrophobicContact CG2-CD1 4.23Å; I372-I414 HydrophobicContact CB-CD1 4.49Å; I372-I414 HydrophobicContact CG2-CD1 3.92Å; V383-I414 HydrophobicContact CB-CG1 4.21Å; V383-I414 HydrophobicContact CB-CG2 4.43Å; V383-I414 HydrophobicContact CG1-CG2 4.49Å; V383-I414 CarbonylContact O-C 3.52Å; V383-I414 WeakPolarHBondContact O-CA 3.33Å; V385-I414 HydrophobicContact CG2-CG2 4.03Å; H411-I414 HydrophobicContact CB-CD1 4.04Å; H411-I414 HydrophobicContact CB-CG1 4.12Å; H411-I414 PolarHBondContact O-N 3.42Å; I414-F416 HydrophobicContact CB-CE2 4.5Å; I414-F416 HydrophobicContact CG2-CE1 4.07Å; I414-F416 HydrophobicContact CG2-CE2 3.86Å; I414-F416 HydrophobicContact CG2-CZ 3.52Å
415L94.2Very high83.9Confident50 Ų5055.4 Ų55.426%0.26227%0.266SS..EExtended strand (participates in β ladder)trans-109.2135.2-176.7-54.6177.7000109.7V160 T382 V383 I384 V385 F417V160-L415 HydrophobicContact CB-CD1 3.6Å; V160-L415 HydrophobicContact CG1-CD1 3.77Å; V160-L415 HydrophobicContact CG2-CD1 4.17Å; T382-L415 HydrophobicContact CG2-CD1 3.96Å; T382-L415 HydrophobicContact CG2-CG 4.35Å; V383-L415 PolarHBondContact O-N 2.89Å; I384-L415 CarbonylContact C-O 3.57Å; I384-L415 WeakPolarHBondContact CA-O 3.38Å; V385-L415 PolarHBondContact N-O 3.44Å; L415-F417 HydrophobicContact CB-CD2 4.45Å; L415-F417 HydrophobicContact CB-CE2 3.67Å; L415-F417 HydrophobicContact CB-CZ 4.31Å; L415-F417 HydrophobicContact CD1-CE2 4.44Å
416F94.7Very high85Confident38 Ų3854.3 Ų54.317%0.16726%0.258CS..EExtended strand (participates in β ladder)trans-113.1132.8-179.1-58.9-84000110.5F365 I369 V385 P402 Y403 P405 I414F365-F416 HydrophobicContact CE1-CE1 4.07Å; F365-F416 HydrophobicContact CE1-CZ 4.35Å; F365-F416 HydrophobicContact CZ-CD1 4.29Å; F365-F416 AromaticContact CZ-CE1 3.63Å; F365-F416 HydrophobicContact CZ-CE1 3.63Å; F365-F416 HydrophobicContact CZ-CZ 4.33Å; I369-F416 HydrophobicContact CD1-CE1 3.95Å; I369-F416 HydrophobicContact CD1-CZ 3.64Å; I369-F416 HydrophobicContact CG1-CZ 4.49Å; V385-F416 HydrophobicContact CB-CD1 3.68Å; V385-F416 HydrophobicContact CB-CE1 3.92Å; V385-F416 HydrophobicContact CG1-CD1 3.96Å; V385-F416 HydrophobicContact CG1-CE1 4.13Å; V385-F416 HydrophobicContact CG2-CD1 4.26Å; V385-F416 HydrophobicContact CG2-CE1 4.01Å; V385-F416 WeakPolarHBondContact O-CA 3.24Å; P402-F416 HydrophobicContact CB-CB 4.23Å; Y403-F416 HydrophobicContact CD2-CD1 4.32Å; P405-F416 HydrophobicContact CG-CD2 4.21Å; P405-F416 HydrophobicContact CG-CE2 3.88Å; P405-F416 HydrophobicContact CG-CZ 4.38Å; I414-F416 HydrophobicContact CB-CE2 4.5Å; I414-F416 HydrophobicContact CG2-CE1 4.07Å; I414-F416 HydrophobicContact CG2-CE2 3.86Å; I414-F416 HydrophobicContact CG2-CZ 3.52Å
417F96.5Very high86.1Confident25 Ų2544 Ų4411%0.1122%0.22CC..EExtended strand (participates in β ladder)trans-133.3164.1177-61.4-86.8000111.3V160 P162 I384 V385 I386 S387 L415 L423V160-F417 HydrophobicContact CG1-CE2 4.04Å; V160-F417 HydrophobicContact CG1-CZ 3.98Å; P162-F417 HydrophobicContact CG-CE1 4.07Å; I384-F417 HydrophobicContact CG2-CD2 3.69Å; I384-F417 HydrophobicContact CG2-CE2 3.92Å; V385-F417 PolarHBondContact O-N 2.9Å; I386-F417 HydrophobicContact CD1-CB 3.75Å; I386-F417 HydrophobicContact CD1-CD2 4.4Å; I386-F417 HydrophobicContact CD1-CG 4.5Å; S387-F417 PolarHBondContact N-O 2.97Å; L415-F417 HydrophobicContact CB-CD2 4.45Å; L415-F417 HydrophobicContact CB-CE2 3.67Å; L415-F417 HydrophobicContact CB-CZ 4.31Å; L415-F417 HydrophobicContact CD1-CE2 4.44Å; F417-L423 HydrophobicContact CB-CD2 4.36Å; F417-L423 HydrophobicContact CD1-CD2 3.45Å; F417-L423 VanDerWaalsContact CD1-CD2 3.45Å; F417-L423 HydrophobicContact CD2-CD1 4.03Å; F417-L423 HydrophobicContact CD2-CD2 4.01Å; F417-L423 HydrophobicContact CE1-CD2 3.59Å; F417-L423 HydrophobicContact CE2-CD1 4.17Å; F417-L423 HydrophobicContact CE2-CD2 4.11Å; F417-L423 HydrophobicContact CG-CD1 4.4Å; F417-L423 HydrophobicContact CG-CD2 3.68Å; F417-L423 HydrophobicContact CZ-CD2 3.92Å
418S97.4Very high87.6Confident2 Ų234.7 Ų34.71%0.01419%0.185CC..  trans-76.5164.2178.255.50000112.4L169 C400 P420 S421L169-S418 WeakPolarHBondContact O-CB 3.22Å; C400-S418 WeakPolarHBondContact O-CA 3.47Å; C400-S418 VanDerWaalsContact O-CB 3.23Å; C400-S418 WeakPolarHBondContact O-CB 3.4Å; S418-P420 CarbonylContact C-O 3.56Å; S418-P420 CarbonylContact O-C 3.31Å; S418-P420 VanDerWaalsContact O-C 3.23Å; S418-P420 PolarHBondContact OG-O 3.13Å; S418-S421 VanDerWaalsContact O-CB 3.29Å; S418-S421 WeakPolarHBondContact O-CB 3.3Å; S418-S421 PolarHBondContact O-OG 3.22Å; S418-S421 VanDerWaalsContact O-OG 3.05Å
419D98.3Very high89.3Confident0 Ų032.5 Ų32.50%017%0.173CC..BIsolated β-bridgetrans-105.6121.9164.3-179.129.5000110.6I386 S387 P399 C400 T433 S434 T435I386-D419 HydrophobicContact CG2-CB 4.19Å; S387-D419 WeakPolarHBondContact O-CB 3.5Å; S387-D419 PolarHBondContact OG-N 3.46Å; P399-D419 CarbonylContact C-O 3.18Å; P399-D419 WeakPolarHBondContact CA-O 3.48Å; P399-D419 WeakPolarHBondContact CB-O 3.5Å; C400-D419 HydrophobicContact CB-CB 4Å; C400-D419 PolarHBondContact N-O 2.81Å; C400-D419 PolarHBondContact O-N 3.04Å; D419-T433 WeakPolarHBondContact OD1-CA 3.31Å; D419-T433 PolarHBondContact OD1-OG1 2.85Å; D419-T433 VanDerWaalsContact OD1-OG1 3.11Å; D419-S434 VanDerWaalsContact CG-N 3.32Å; D419-S434 VanDerWaalsContact CG-OG 3.3Å; D419-S434 PolarHBondContact OD1-N 3.29Å; D419-S434 WeakPolarHBondContact OD2-CB 3.42Å; D419-S434 PolarHBondContact OD2-N 2.68Å; D419-S434 PolarHBondContact OD2-OG 3.45Å; D419-T435 PolarHBondContact OD2-OG1 2.92Å
420P98.5Very high91.1Very high0 Ų026.9 Ų26.90%014%0.137CC..SBendcis-76.8175.1-9.734.9-32.1000111F398 S418 V432 F469F398-P420 HydrophobicContact CE2-CG 4.36Å; F398-P420 HydrophobicContact CZ-CG 4.04Å; S418-P420 CarbonylContact C-O 3.56Å; S418-P420 CarbonylContact O-C 3.31Å; S418-P420 VanDerWaalsContact O-C 3.23Å; S418-P420 PolarHBondContact OG-O 3.13Å; P420-V432 CarbonylContact C-O 3.52Å; P420-V432 VanDerWaalsContact CA-O 3.31Å; P420-V432 WeakPolarHBondContact CA-O 3.12Å; P420-V432 WeakPolarHBondContact CB-O 3.27Å; P420-F469 HydrophobicContact CB-CB 3.95Å; P420-F469 HydrophobicContact CB-CD1 3.53Å; P420-F469 HydrophobicContact CB-CD2 3.6Å; P420-F469 HydrophobicContact CB-CE1 3.77Å; P420-F469 HydrophobicContact CB-CE2 3.84Å; P420-F469 HydrophobicContact CB-CG 3.41Å; P420-F469 VanDerWaalsContact CB-CG 3.41Å; P420-F469 HydrophobicContact CB-CZ 3.9Å; P420-F469 HydrophobicContact CG-CB 3.74Å; P420-F469 HydrophobicContact CG-CD1 4.2Å; P420-F469 HydrophobicContact CG-CD2 3.46Å; P420-F469 VanDerWaalsContact CG-CD2 3.46Å; P420-F469 HydrophobicContact CG-CE2 4.03Å; P420-F469 HydrophobicContact CG-CG 3.55Å
421S97.9Very high92.8Very high4 Ų420.2 Ų20.23%0.02810%0.104CC..EExtended strand (participates in β ladder)trans-149.7152.8169520000112.1S418 V432S418-S421 VanDerWaalsContact O-CB 3.29Å; S418-S421 WeakPolarHBondContact O-CB 3.3Å; S418-S421 PolarHBondContact O-OG 3.22Å; S418-S421 VanDerWaalsContact O-OG 3.05Å; S421-V432 PolarHBondContact N-O 3.18Å; S421-V432 PolarHBondContact O-N 2.84Å
422I98.2Very high94.2Very high10 Ų1016.7 Ų16.75%0.0519%0.088CC..EExtended strand (participates in β ladder)trans-115.1116.7170.2-53.1174.8000107.6F163 F430 A431 F469 L492 P493 I494F163-I422 HydrophobicContact CB-CB 4.06Å; F163-I422 HydrophobicContact CB-CG2 3.56Å; F163-I422 HydrophobicContact CD1-CG2 4.45Å; F163-I422 HydrophobicContact CG-CG2 4.07Å; F163-I422 PolarHBondContact N-O 2.89Å; I422-F430 CarbonylContact C-O 3.57Å; I422-F430 WeakPolarHBondContact CA-O 3.46Å; I422-A431 HydrophobicContact CG1-CB 4.35Å; I422-F469 HydrophobicContact CD1-CE2 4.08Å; I422-F469 HydrophobicContact CD1-CZ 4.37Å; I422-F469 HydrophobicContact CG1-CE2 3.79Å; I422-F469 HydrophobicContact CG1-CZ 3.72Å; I422-L492 HydrophobicContact CD1-CD1 4Å; I422-P493 HydrophobicContact CD1-CG 4.43Å; I422-I494 HydrophobicContact CD1-CG1 4.35Å; I422-I494 HydrophobicContact CG2-CD1 3.98Å; I422-I494 HydrophobicContact CG2-CG1 4.48Å
423L97.7Very high95.5Very high0 Ų011.3 Ų11.30%05%0.053CC..EExtended strand (participates in β ladder)trans-108.6142.7-176.3-52.6-177.9000110.4R161 I384 I386 F417 I425 T429 F430R161-L423 CarbonylContact O-C 3.57Å; R161-L423 WeakPolarHBondContact O-CA 3.49Å; I384-L423 HydrophobicContact CD1-CD1 4.37Å; I384-L423 HydrophobicContact CG2-CD1 3.83Å; I386-L423 HydrophobicContact CD1-CD1 4.31Å; F417-L423 HydrophobicContact CB-CD2 4.36Å; F417-L423 HydrophobicContact CD1-CD2 3.45Å; F417-L423 VanDerWaalsContact CD1-CD2 3.45Å; F417-L423 HydrophobicContact CD2-CD1 4.03Å; F417-L423 HydrophobicContact CD2-CD2 4.01Å; F417-L423 HydrophobicContact CE1-CD2 3.59Å; F417-L423 HydrophobicContact CE2-CD1 4.17Å; F417-L423 HydrophobicContact CE2-CD2 4.11Å; F417-L423 HydrophobicContact CG-CD1 4.4Å; F417-L423 HydrophobicContact CG-CD2 3.68Å; F417-L423 HydrophobicContact CZ-CD2 3.92Å; L423-I425 HydrophobicContact CB-CD1 4.41Å; L423-I425 HydrophobicContact CB-CG1 4.18Å; L423-T429 CarbonylContact O-C 3.59Å; L423-T429 WeakPolarHBondContact O-CA 3.39Å; L423-F430 PolarHBondContact N-O 3.39Å; L423-F430 PolarHBondContact O-N 3.33Å
424R95.6Very high96.1Very high22 Ų228 Ų88%0.0834%0.039CC..EExtended strand (participates in β ladder)trans-98.5119.8163.3-174.574.670.6157.56.6107.9V160 R161 E294 E299 G427 L428V160-R424 WeakPolarHBondContact CA-O 3.38Å; R161-R424 HydrophobicContact CG-CB 3.98Å; R161-R424 PolarHBondContact N-O 2.87Å; R161-R424 PolarHBondContact O-N 2.85Å; E294-R424 PolarHBondContact O-NH1 3.38Å; E299-R424 WeakPolarHBondContact OE2-CG 3.34Å; R424-G427 VanDerWaalsContact CD-C 3.44Å; R424-G427 WeakPolarHBondContact CD-O 3.22Å; R424-G427 PolarHBondContact NH1-O 3.02Å; R424-L428 CarbonylContact C-O 3.54Å; R424-L428 VanDerWaalsContact CA-O 3.31Å; R424-L428 WeakPolarHBondContact CA-O 3.47Å
425I95.4Very high96.3Very high2 Ų27.9 Ų7.91%0.014%0.038CC..EExtended strand (participates in β ladder)trans-125.7109-177.6-61.6-177.3000107.7I158 L159 V160 L304 I338 I384 L423 G427 L428 F430I158-I425 HydrophobicContact CG2-CG2 4.39Å; L159-I425 WeakPolarHBondContact O-CA 3.43Å; V160-I425 HydrophobicContact CG1-CG1 4.31Å; V160-I425 HydrophobicContact CG2-CG1 4.45Å; L304-I425 HydrophobicContact CD1-CG2 4.37Å; L304-I425 HydrophobicContact CD2-CG2 4.08Å; I338-I425 HydrophobicContact CD1-CB 4.4Å; I338-I425 HydrophobicContact CD1-CD1 4.12Å; I338-I425 HydrophobicContact CD1-CG2 3.1Å; I384-I425 HydrophobicContact CD1-CD1 3.71Å; I384-I425 HydrophobicContact CD1-CG1 4.47Å; L423-I425 HydrophobicContact CB-CD1 4.41Å; L423-I425 HydrophobicContact CB-CG1 4.18Å; I425-G427 VanDerWaalsContact C-N 3.29Å; I425-G427 PolarHBondContact O-N 3.32Å; I425-L428 PolarHBondContact N-O 2.94Å; I425-L428 WeakPolarHBondContact O-CB 3.49Å; I425-L428 PolarHBondContact O-N 3.19Å; I425-F430 HydrophobicContact CB-CD2 3.85Å; I425-F430 HydrophobicContact CB-CE2 3.85Å; I425-F430 HydrophobicContact CD1-CB 4.33Å; I425-F430 HydrophobicContact CD1-CD2 3.67Å; I425-F430 HydrophobicContact CD1-CE2 4.08Å; I425-F430 HydrophobicContact CD1-CG 3.95Å; I425-F430 HydrophobicContact CG1-CD2 3.92Å; I425-F430 HydrophobicContact CG1-CE2 4.35Å; I425-F430 HydrophobicContact CG2-CE2 4.32Å
426N90.7Very high96.5Very high5 Ų55.6 Ų5.63%0.0273%0.026CC..THydrogen-bonded Turntrans41.655.3-175.9-72.2-4.4000112.3L159 E299 T300 V301 L428L159-N426 PolarHBondContact N-OD1 3.26Å; L159-N426 PolarHBondContact O-N 3.27Å; E299-N426 CarbonylContact O-C 3.58Å; E299-N426 VanDerWaalsContact O-C 3.31Å; E299-N426 VanDerWaalsContact O-CA 3.28Å; E299-N426 WeakPolarHBondContact O-CA 3.22Å; E299-N426 WeakPolarHBondContact O-CB 3.4Å; T300-N426 WeakPolarHBondContact CA-O 3.46Å; T300-N426 WeakPolarHBondContact CG2-O 3.37Å; V301-N426 HydrophobicContact CG2-CB 4.24Å; V301-N426 VanDerWaalsContact CG2-ND2 3.27Å; V301-N426 WeakPolarHBondContact CG2-ND2 3.35Å; N426-L428 PolarHBondContact O-N 3.42Å; N426-L428 VanDerWaalsContact O-N 3.15Å
427G89.4Confident96.6Very high0 Ų03.8 Ų3.80%02%0.018CC..THydrogen-bonded Turntrans79.7-16.8179.100000116.5N296 R424 I425N296-G427 PolarHBondContact N-O 3.33Å; N296-G427 VanDerWaalsContact N-O 3.16Å; R424-G427 VanDerWaalsContact CD-C 3.44Å; R424-G427 WeakPolarHBondContact CD-O 3.22Å; R424-G427 PolarHBondContact NH1-O 3.02Å; I425-G427 VanDerWaalsContact C-N 3.29Å; I425-G427 PolarHBondContact O-N 3.32Å
428L93.2Very high96.6Very high2 Ų22.7 Ų2.71%0.011%0.014CC..EExtended strand (participates in β ladder)trans-92.4150.1178.3-66.9161.1000112.1V295 L304 R424 I425 N426 F430 N497 F498 V533 I535 L545V295-L428 HydrophobicContact CB-CD2 4.47Å; V295-L428 HydrophobicContact CG1-CD2 3.82Å; V295-L428 HydrophobicContact CG1-CG 4.29Å; V295-L428 HydrophobicContact CG2-CD2 3.8Å; L304-L428 HydrophobicContact CD2-CD1 3.84Å; R424-L428 CarbonylContact C-O 3.54Å; R424-L428 VanDerWaalsContact CA-O 3.31Å; R424-L428 WeakPolarHBondContact CA-O 3.47Å; I425-L428 PolarHBondContact N-O 2.94Å; I425-L428 WeakPolarHBondContact O-CB 3.49Å; I425-L428 PolarHBondContact O-N 3.19Å; N426-L428 PolarHBondContact O-N 3.42Å; N426-L428 VanDerWaalsContact O-N 3.15Å; L428-F430 HydrophobicContact CB-CD2 4.43Å; L428-F430 HydrophobicContact CB-CE2 3.84Å; L428-N497 HydrophobicContact CD2-CB 4.33Å; L428-F498 HydrophobicContact CD1-CE2 4.33Å; L428-F498 HydrophobicContact CD2-CE2 4.43Å; L428-V533 HydrophobicContact CD1-CB 4.14Å; L428-V533 HydrophobicContact CD1-CG1 3.83Å; L428-V533 HydrophobicContact CD1-CG2 4.16Å; L428-I535 HydrophobicContact CD1-CD1 4.12Å; L428-I535 HydrophobicContact CD2-CD1 4.14Å; L428-I535 HydrophobicContact CG-CD1 4.29Å; L428-L545 HydrophobicContact CD2-CD1 4.23Å; L428-L545 HydrophobicContact CD2-CD2 4.4Å
429T95.9Very high96.5Very high0 Ų05.7 Ų5.70%03%0.025CC..EExtended strand (participates in β ladder)trans-104.7128.1-179.453.60000112F163 V293 L423 I494 P496 N497 F498F163-T429 HydrophobicContact CD2-CG2 3.93Å; F163-T429 HydrophobicContact CE2-CG2 4.44Å; V293-T429 HydrophobicContact CG1-CG2 4.07Å; L423-T429 CarbonylContact O-C 3.59Å; L423-T429 WeakPolarHBondContact O-CA 3.39Å; T429-I494 HydrophobicContact CG2-CD1 4Å; T429-P496 VanDerWaalsContact OG1-CA 3.3Å; T429-P496 WeakPolarHBondContact OG1-CA 3.16Å; T429-N497 PolarHBondContact N-OD1 3.39Å; T429-N497 WeakPolarHBondContact O-CB 3.36Å; T429-N497 PolarHBondContact O-N 3.5Å; T429-N497 PolarHBondContact OG1-N 3.02Å; T429-N497 PolarHBondContact OG1-OD1 2.91Å; T429-F498 PolarHBondContact O-N 2.93Å
430F98Very high96.3Very high0 Ų06 Ų60%03%0.026CC..EExtended strand (participates in β ladder)trans-121.3108.3178.8-71.5-103.5000108.9L304 V306 I422 L423 I425 L428 V432 F498 L531L304-F430 HydrophobicContact CD2-CZ 4.46Å; V306-F430 HydrophobicContact CG2-CZ 4.41Å; I422-F430 CarbonylContact C-O 3.57Å; I422-F430 WeakPolarHBondContact CA-O 3.46Å; L423-F430 PolarHBondContact N-O 3.39Å; L423-F430 PolarHBondContact O-N 3.33Å; I425-F430 HydrophobicContact CB-CD2 3.85Å; I425-F430 HydrophobicContact CB-CE2 3.85Å; I425-F430 HydrophobicContact CD1-CB 4.33Å; I425-F430 HydrophobicContact CD1-CD2 3.67Å; I425-F430 HydrophobicContact CD1-CE2 4.08Å; I425-F430 HydrophobicContact CD1-CG 3.95Å; I425-F430 HydrophobicContact CG1-CD2 3.92Å; I425-F430 HydrophobicContact CG1-CE2 4.35Å; I425-F430 HydrophobicContact CG2-CE2 4.32Å; L428-F430 HydrophobicContact CB-CD2 4.43Å; L428-F430 HydrophobicContact CB-CE2 3.84Å; F430-V432 HydrophobicContact CB-CG2 4.25Å; F430-F498 CarbonylContact C-O 3.52Å; F430-F498 WeakPolarHBondContact CA-O 3.33Å; F430-F498 HydrophobicContact CD1-CB 3.67Å; F430-F498 AromaticContact CD1-CD2 3.98Å; F430-F498 HydrophobicContact CD1-CD2 3.98Å; F430-F498 HydrophobicContact CD1-CG 4.04Å; F430-F498 HydrophobicContact CD2-CD2 4.21Å; F430-F498 HydrophobicContact CE1-CB 3.88Å; F430-F498 AromaticContact CE1-CD2 3.51Å; F430-F498 HydrophobicContact CE1-CD2 3.51Å; F430-F498 HydrophobicContact CE1-CE2 4.16Å; F430-F498 AromaticContact CE1-CG 3.72Å; F430-F498 HydrophobicContact CE1-CG 3.72Å; F430-F498 AromaticContact CE2-CD2 3.78Å; F430-F498 HydrophobicContact CE2-CD2 3.78Å; F430-F498 HydrophobicContact CE2-CE2 4.16Å; F430-F498 HydrophobicContact CG-CB 4.23Å; F430-F498 HydrophobicContact CG-CD2 4.31Å; F430-F498 AromaticContact CZ-CD2 3.4Å; F430-F498 HydrophobicContact CZ-CD2 3.4Å; F430-F498 VanDerWaalsContact CZ-CD2 3.4Å; F430-F498 AromaticContact CZ-CE2 3.7Å; F430-F498 HydrophobicContact CZ-CE2 3.7Å; F430-F498 HydrophobicContact CZ-CG 4.1Å; F430-L531 HydrophobicContact CE1-CD2 3.79Å; F430-L531 HydrophobicContact CZ-CD2 4.06Å
431A98.4Very high96.1Very high1 Ų16 Ų61%0.0083%0.026CC..EExtended strand (participates in β ladder)trans-85.2124166.200000108.4I422 F469 L492 P496 F498 C499 I500I422-A431 HydrophobicContact CG1-CB 4.35Å; A431-F469 HydrophobicContact CB-CE1 3.83Å; A431-F469 HydrophobicContact CB-CZ 3.65Å; A431-L492 HydrophobicContact CB-CD1 3.81Å; A431-P496 HydrophobicContact CB-CB 3.93Å; A431-P496 HydrophobicContact CB-CG 3.66Å; A431-F498 PolarHBondContact N-O 3.04Å; A431-C499 CarbonylContact O-C 3.57Å; A431-C499 WeakPolarHBondContact O-CA 3.33Å; A431-I500 PolarHBondContact O-N 2.81Å
432V98.8Very high95.9Very high1 Ų16.3 Ų6.31%0.0063%0.028CC..EExtended strand (participates in β ladder)trans-130.5132.2-174.5-171.70000109.4L340 I342 I386 P420 S421 F430 I500L340-V432 HydrophobicContact CD2-CG1 4.41Å; L340-V432 HydrophobicContact CD2-CG2 4.01Å; I342-V432 HydrophobicContact CD1-CG1 3.51Å; I342-V432 HydrophobicContact CG1-CG1 3.86Å; I386-V432 HydrophobicContact CG1-CB 4.4Å; I386-V432 HydrophobicContact CG1-CG1 3.8Å; I386-V432 HydrophobicContact CG2-CG1 4.38Å; P420-V432 CarbonylContact C-O 3.52Å; P420-V432 VanDerWaalsContact CA-O 3.31Å; P420-V432 WeakPolarHBondContact CA-O 3.12Å; P420-V432 WeakPolarHBondContact CB-O 3.27Å; S421-V432 PolarHBondContact N-O 3.18Å; S421-V432 PolarHBondContact O-N 2.84Å; F430-V432 HydrophobicContact CB-CG2 4.25Å; V432-I500 HydrophobicContact CB-CB 4.48Å; V432-I500 HydrophobicContact CG1-CB 4.11Å; V432-I500 HydrophobicContact CG2-CB 4.2Å; V432-I500 HydrophobicContact CG2-CG1 4.03Å
433T98.6Very high95.4Very high1 Ų17.8 Ų7.81%0.0064%0.042CC..  trans-130149.6169.4-179.80000109.4D419 T435 V437 F469 I500 T501 P502D419-T433 WeakPolarHBondContact OD1-CA 3.31Å; D419-T433 PolarHBondContact OD1-OG1 2.85Å; D419-T433 VanDerWaalsContact OD1-OG1 3.11Å; T433-T435 PolarHBondContact OG1-N 2.84Å; T433-T435 VanDerWaalsContact OG1-N 3.17Å; T433-V437 HydrophobicContact CG2-CG1 4.47Å; T433-F469 HydrophobicContact CG2-CD1 4.29Å; T433-I500 PolarHBondContact N-O 2.77Å; T433-I500 VanDerWaalsContact N-O 3.15Å; T433-T501 HydrophobicContact CG2-CG2 4.02Å; T433-P502 WeakPolarHBondContact O-CD 3.41Å
434S98.2Very high95Very high1 Ų110.1 Ų10.11%0.0075%0.053CC..  trans-93-17.5169.687.60000112.5S387 S388 D419S387-S434 WeakPolarHBondContact O-CB 3.35Å; S387-S434 PolarHBondContact O-OG 3.25Å; S388-S434 WeakPolarHBondContact CA-OG 3.17Å; S388-S434 WeakPolarHBondContact CB-OG 3.43Å; S388-S434 PolarHBondContact OG-OG 2.98Å; D419-S434 VanDerWaalsContact CG-N 3.32Å; D419-S434 VanDerWaalsContact CG-OG 3.3Å; D419-S434 PolarHBondContact OD1-N 3.29Å; D419-S434 WeakPolarHBondContact OD2-CB 3.42Å; D419-S434 PolarHBondContact OD2-N 2.68Å; D419-S434 PolarHBondContact OD2-OG 3.45Å
435T97.6Very high94.8Very high2 Ų29.3 Ų9.31%0.0125%0.05CC..SBendtrans-74.9136.4-175.1-65.40000110.9F398 D419 T433 V437 Y470 L479F398-T435 WeakPolarHBondContact CD2-OG1 3.42Å; F398-T435 WeakPolarHBondContact CE2-OG1 3.43Å; D419-T435 PolarHBondContact OD2-OG1 2.92Å; T433-T435 PolarHBondContact OG1-N 2.84Å; T433-T435 VanDerWaalsContact OG1-N 3.17Å; T435-V437 PolarHBondContact O-N 3.09Å; T435-Y470 HydrophobicContact CG2-CD2 3.81Å; T435-Y470 HydrophobicContact CG2-CE2 3.68Å; T435-L479 HydrophobicContact CG2-CD1 3.8Å; T435-L479 HydrophobicContact CG2-CD2 3.93Å
436D96.8Very high94.5Very high1 Ų110.2 Ų10.21%0.0056%0.055CC..  trans-76.953.1178.9-164.5-6000112.6V438 R439 H440 S503 D504 R522D436-V438 PolarHBondContact O-N 3.02Å; D436-R439 VanDerWaalsContact CG-CB 3.41Å; D436-R439 PolarHBondContact O-N 3.06Å; D436-R439 WeakPolarHBondContact OD1-CB 3.34Å; D436-R439 PolarHBondContact OD1-N 2.82Å; D436-R439 VanDerWaalsContact OD1-N 3.14Å; D436-R439 WeakPolarHBondContact OD2-CB 3.05Å; D436-R439 IonicContact OD2-CZ 2.78Å; D436-R439 IonicContact OD2-NE 3.58Å; D436-R439 PolarHBondContact OD2-NE 2.82Å; D436-R439 IonicContact OD2-NH2 3.66Å; D436-R439 PolarHBondContact OD2-NH2 3.05Å; D436-H440 PolarHBondContact O-CD2 3.45Å; D436-H440 VanDerWaalsContact O-CD2 3.24Å; D436-H440 PolarHBondContact O-N 3.1Å; D436-S503 VanDerWaalsContact OD1-CA 3.25Å; D436-S503 WeakPolarHBondContact OD1-CA 3.41Å; D436-S503 WeakPolarHBondContact OD1-CB 3.24Å; D436-S503 PolarHBondContact OD1-OG 3.14Å; D436-D504 PolarHBondContact OD2-N 3.36Å; D436-R522 IonicContact OD2-NH2 3.82Å
437V97.8Very high94.5Very high1 Ų112.8 Ų12.81%0.0067%0.066CC..Hα-helixtrans-60.9-30.3-17865.50000111.9T433 T435 H440 L441 L463 F469 Y470T433-V437 HydrophobicContact CG2-CG1 4.47Å; T435-V437 PolarHBondContact O-N 3.09Å; V437-H440 PolarHBondContact O-N 2.91Å; V437-L441 HydrophobicContact CG2-CD1 3.95Å; V437-L441 HydrophobicContact CG2-CG 4.24Å; V437-L441 WeakPolarHBondContact O-CB 3.49Å; V437-L441 WeakPolarHBondContact O-CG 3.37Å; V437-L441 PolarHBondContact O-N 2.81Å; V437-L463 HydrophobicContact CG1-CD1 3.98Å; V437-L463 HydrophobicContact CG1-CD2 4.09Å; V437-L463 HydrophobicContact CG2-CD2 3.69Å; V437-F469 WeakPolarHBondContact CG2-O 3.24Å; V437-Y470 HydrophobicContact CB-CD2 3.84Å; V437-Y470 HydrophobicContact CB-CE2 4.08Å; V437-Y470 HydrophobicContact CG2-CD2 3.57Å; V437-Y470 HydrophobicContact CG2-CE2 3.92Å; V437-Y470 HydrophobicContact CG2-CG 4.31Å
438V96.3Very high94.4Very high2 Ų215.7 Ų15.71%0.0128%0.081CC..Hα-helixtrans-62.7-50.9176.9173.20000110.2D436 S442 M456 I459 L460 F508D436-V438 PolarHBondContact O-N 3.02Å; V438-S442 VanDerWaalsContact O-CB 3.24Å; V438-S442 WeakPolarHBondContact O-CB 3.43Å; V438-S442 PolarHBondContact O-N 3.3Å; V438-S442 PolarHBondContact O-OG 3.32Å; V438-M456 HydrophobicContact CG1-CE 3.59Å; V438-M456 HydrophobicContact CG1-SD 3.41Å; V438-M456 WeakPolarHBondContact CG1-SD 3.19Å; V438-I459 HydrophobicContact CG1-CG2 4.29Å; V438-L460 HydrophobicContact CG2-CD2 3.88Å; V438-F508 HydrophobicContact CG1-CE1 4.33Å; V438-F508 HydrophobicContact CG2-CZ 4.37Å
439R94.7Very high94.2Very high65 Ų6517.4 Ų17.425%0.24510%0.098CC..Hα-helixtrans-64.6-42.8177.2-176.8173.750.586.63.1111.2D436 L441 S442 A443 E478D436-R439 VanDerWaalsContact CG-CB 3.41Å; D436-R439 PolarHBondContact O-N 3.06Å; D436-R439 WeakPolarHBondContact OD1-CB 3.34Å; D436-R439 PolarHBondContact OD1-N 2.82Å; D436-R439 VanDerWaalsContact OD1-N 3.14Å; D436-R439 WeakPolarHBondContact OD2-CB 3.05Å; D436-R439 IonicContact OD2-CZ 2.78Å; D436-R439 IonicContact OD2-NE 3.58Å; D436-R439 PolarHBondContact OD2-NE 2.82Å; D436-R439 IonicContact OD2-NH2 3.66Å; D436-R439 PolarHBondContact OD2-NH2 3.05Å; R439-L441 PolarHBondContact O-N 3.39Å; R439-S442 WeakPolarHBondContact CA-OG 3.42Å; R439-S442 CarbonylContact O-C 3.44Å; R439-S442 PolarHBondContact O-N 2.92Å; R439-S442 PolarHBondContact O-OG 2.8Å; R439-A443 PolarHBondContact O-N 2.76Å; R439-E478 IonicContact CZ-OE1 3.82Å; R439-E478 IonicContact CZ-OE2 2.8Å; R439-E478 IonicContact NH1-OE1 2.91Å; R439-E478 IonicContact NH1-OE2 2.76Å; R439-E478 PolarHBondContact NH1-OE2 2.88Å; R439-E478 IonicContact NH2-OE1 3.58Å; R439-E478 PolarHBondContact NH2-OE1 2.89Å; R439-E478 IonicContact NH2-OE2 3.11Å; R439-E478 PolarHBondContact NH2-OE2 2.78Å
440H94.6Very high93.7Very high5 Ų523.9 Ų23.92%0.02314%0.138CC..Hα-helixtrans-59.2-49.3-179.7-59.1169.5000111.8D436 V437 A443 Y470 L472 A476 E478D436-H440 PolarHBondContact O-CD2 3.45Å; D436-H440 VanDerWaalsContact O-CD2 3.24Å; D436-H440 PolarHBondContact O-N 3.1Å; V437-H440 PolarHBondContact O-N 2.91Å; H440-A443 WeakPolarHBondContact O-CB 3.4Å; H440-A443 PolarHBondContact O-N 3.38Å; H440-Y470 HydrophobicContact CB-CE2 4.41Å; H440-Y470 AromaticContact ND1-CE2 3.23Å; H440-Y470 WeakPolarHBondContact ND1-CE2 3.09Å; H440-Y470 AromaticContact ND1-CZ 3.42Å; H440-Y470 PolarHBondContact ND1-OH 2.98Å; H440-L472 HydrophobicContact CB-CD2 3.88Å; H440-A476 HydrophobicContact CB-CB 4.11Å; H440-E478 IonicContact CD2-OE1 2.68Å; H440-E478 IonicContact CE1-OE1 3.77Å; H440-E478 IonicContact NE2-OE1 2.68Å; H440-E478 PolarHBondContact NE2-OE1 2.87Å
441L95.2Very high93.2Very high0 Ų026 Ų260%015%0.153CC..Hα-helixtrans-65.7-38.8175.1-74.3171.3000111.7F263 V437 R439 A443 E444 E445 I459 L463 P471 L472F263-L441 HydrophobicContact CB-CD2 4.28Å; F263-L441 HydrophobicContact CD1-CD2 4.17Å; F263-L441 HydrophobicContact CD2-CD2 3.44Å; F263-L441 VanDerWaalsContact CD2-CD2 3.44Å; F263-L441 HydrophobicContact CE1-CD2 4.47Å; F263-L441 HydrophobicContact CE2-CD2 3.81Å; F263-L441 HydrophobicContact CG-CD2 3.67Å; F263-L441 HydrophobicContact CZ-CD2 4.32Å; V437-L441 HydrophobicContact CG2-CD1 3.95Å; V437-L441 HydrophobicContact CG2-CG 4.24Å; V437-L441 WeakPolarHBondContact O-CB 3.49Å; V437-L441 WeakPolarHBondContact O-CG 3.37Å; V437-L441 PolarHBondContact O-N 2.81Å; R439-L441 PolarHBondContact O-N 3.39Å; L441-A443 PolarHBondContact O-N 2.68Å; L441-E444 PolarHBondContact O-N 3.25Å; L441-E444 VanDerWaalsContact O-N 3.13Å; L441-E445 WeakPolarHBondContact O-CB 3.44Å; L441-E445 PolarHBondContact O-N 2.82Å; L441-I459 HydrophobicContact CB-CD1 3.99Å; L441-I459 HydrophobicContact CB-CG2 3.79Å; L441-I459 HydrophobicContact CD1-CG2 4.2Å; L441-L463 HydrophobicContact CD1-CD2 3.73Å; L441-L463 HydrophobicContact CD1-CG 4.35Å; L441-P471 HydrophobicContact CD1-CG 4.07Å; L441-P471 HydrophobicContact CD2-CG 4.27Å; L441-L472 HydrophobicContact CD2-CB 3.88Å; L441-L472 HydrophobicContact CD2-CD1 4.24Å
442S92.2Very high92.6Very high11 Ų1131.7 Ų31.78%0.07719%0.193CC..Hα-helixtrans-64.5-25.8176.980.30000112.9R234 V438 R439 R455R234-S442 PolarHBondContact NH2-O 3.25Å; V438-S442 VanDerWaalsContact O-CB 3.24Å; V438-S442 WeakPolarHBondContact O-CB 3.43Å; V438-S442 PolarHBondContact O-N 3.3Å; V438-S442 PolarHBondContact O-OG 3.32Å; R439-S442 WeakPolarHBondContact CA-OG 3.42Å; R439-S442 CarbonylContact O-C 3.44Å; R439-S442 PolarHBondContact O-N 2.92Å; R439-S442 PolarHBondContact O-OG 2.8Å; S442-R455 PolarHBondContact O-NH1 2.98Å; S442-R455 PolarHBondContact O-NH2 3.13Å
443A88.1Confident92.2Very high41 Ų4134.6 Ų34.634%0.33921%0.206SC..Hα-helixtrans-68.2-39.5174.300000110.7R234 R439 H440 L441R234-A443 PolarHBondContact NE-O 3.24Å; R234-A443 PolarHBondContact NH2-O 2.96Å; R439-A443 PolarHBondContact O-N 2.76Å; H440-A443 WeakPolarHBondContact O-CB 3.4Å; H440-A443 PolarHBondContact O-N 3.38Å; L441-A443 PolarHBondContact O-N 2.68Å
444E89.3Confident91.8Very high49 Ų4936.2 Ų36.223%0.22922%0.217CC..Hα-helixtrans-100.6-17.8-170.4-61.9-56.4142.300115.4C232 P264 L441 I446 L472C232-E444 WeakPolarHBondContact CA-OE2 3.48Å; C232-E444 VanDerWaalsContact CB-OE2 3.25Å; C232-E444 WeakPolarHBondContact CB-OE2 3.33Å; P264-E444 HydrophobicContact CG-CB 4.34Å; L441-E444 PolarHBondContact O-N 3.25Å; L441-E444 VanDerWaalsContact O-N 3.13Å; E444-I446 PolarHBondContact O-N 3.48Å; E444-L472 HydrophobicContact CB-CD1 3.93Å; E444-L472 HydrophobicContact CG-CD1 3.93Å; E444-L472 HydrophobicContact CG-CD2 4.27Å
445E91.4Very high91.5Very high5 Ų538.4 Ų38.42%0.02323%0.225CC..  trans-66.2135.2-175.5-175.7-94.6-178.400112.2S261 L262 L441 R455 R458 I459S261-E445 WeakPolarHBondContact OG-CG 3.45Å; S261-E445 PolarHBondContact OG-OE1 3.45Å; L262-E445 CarbonylContact O-C 3.42Å; L262-E445 VanDerWaalsContact O-CA 3.26Å; L262-E445 WeakPolarHBondContact O-CA 3.45Å; L441-E445 WeakPolarHBondContact O-CB 3.44Å; L441-E445 PolarHBondContact O-N 2.82Å; E445-R455 PolarHBondContact O-NH2 3.1Å; E445-R455 WeakPolarHBondContact OE2-CG 3.29Å; E445-R455 IonicContact OE2-CZ 3.04Å; E445-R455 IonicContact OE2-NE 2.8Å; E445-R455 PolarHBondContact OE2-NE 3.18Å; E445-R455 IonicContact OE2-NH2 3.48Å; E445-R458 IonicContact OE1-CZ 3.62Å; E445-R458 IonicContact OE1-NE 3.87Å; E445-R458 PolarHBondContact OE1-NE 3.23Å; E445-R458 IonicContact OE1-NH2 2.68Å; E445-R458 PolarHBondContact OE1-NH2 2.87Å; E445-R458 IonicContact OE2-NH2 2.73Å; E445-R458 PolarHBondContact OE2-NH2 2.92Å; E445-I459 HydrophobicContact CB-CD1 3.45Å; E445-I459 VanDerWaalsContact CB-CD1 3.45Å; E445-I459 HydrophobicContact CG-CD1 3.75Å
446I89.9Confident91.3Very high21 Ų2138.3 Ų38.311%0.10822%0.224CC..EExtended strand (participates in β ladder)trans-118.1153.6166.265.1166000109.3F233 P237 S261 L262 E444F233-I446 HydrophobicContact CB-CD1 3.92Å; F233-I446 HydrophobicContact CB-CG1 4.07Å; F233-I446 HydrophobicContact CB-CG2 3.89Å; F233-I446 HydrophobicContact CD2-CG1 4.41Å; F233-I446 HydrophobicContact CG-CD1 4.39Å; P237-I446 HydrophobicContact CB-CD1 3.84Å; S261-I446 WeakPolarHBondContact CA-O 3.36Å; L262-I446 HydrophobicContact CB-CD1 4.37Å; L262-I446 HydrophobicContact CB-CG1 3.79Å; L262-I446 HydrophobicContact CD1-CD1 4.16Å; L262-I446 HydrophobicContact CD1-CG1 4.34Å; L262-I446 PolarHBondContact N-O 3.31Å; L262-I446 PolarHBondContact O-N 3.04Å; E444-I446 PolarHBondContact O-N 3.48Å
447F90.4Very high91.3Very high60 Ų6039.7 Ų39.726%0.26323%0.232SC..EExtended strand (participates in β ladder)trans-125.8127.2176.4179.7-106.5000110D259 C260D259-F447 HydrophobicContact CB-CE2 4.37Å; D259-F447 HydrophobicContact CB-CZ 4.27Å; C260-F447 WeakPolarHBondContact O-CA 3.33Å; C260-F447 WeakPolarHBondContact O-CD2 3.46Å
448I88.1Confident91.3Very high61 Ų6140.7 Ų40.731%0.31324%0.235SC..EExtended strand (participates in β ladder)trans-110.2120.8173.1-58.8174.4000106.1L254 D259 C260 L262L254-I448 HydrophobicContact CD1-CD1 4.19Å; D259-I448 CarbonylContact C-O 3.52Å; D259-I448 VanDerWaalsContact CA-O 3.29Å; D259-I448 WeakPolarHBondContact CA-O 3.4Å; C260-I448 HydrophobicContact CB-CB 4.49Å; C260-I448 PolarHBondContact N-O 3.22Å; C260-I448 PolarHBondContact O-N 2.85Å; L262-I448 HydrophobicContact CD1-CD1 3.79Å; L262-I448 HydrophobicContact CD1-CG1 4.48Å
449G87.2Confident91.3Very high37 Ų3740.6 Ų40.638%0.38124%0.235SC..SBendtrans139.8-163.1174.700000114.4S258 D259S258-G449 WeakPolarHBondContact O-CA 3.34Å; D259-G449 VanDerWaalsContact OD1-CA 3.26Å; D259-G449 WeakPolarHBondContact OD1-CA 3.43Å
450T86.9Confident91.5Very high136 Ų13637.5 Ų37.583%0.83422%0.223SC*.SBendtrans-120.4-5.4-174.660.30000113.7D259 S452D259-T450 PolarHBondContact OD1-N 3.14Å; T450-S452 PolarHBondContact O-N 3.05Å
451S86.7Confident91.6Very high45 Ų4540.1 Ų40.132%0.31523%0.234SC..  trans-53.5135.4175.8-177.10000112D259 E453D259-S451 PolarHBondContact OD1-N 3.14Å; D259-S451 VanDerWaalsContact OD1-N 3.07Å; S451-E453 VanDerWaalsContact C-N 3.29Å; S451-E453 WeakPolarHBondContact OG-CB 3.47Å; S451-E453 PolarHBondContact OG-N 3.4Å
452S86Confident91.8Very high120 Ų12040.4 Ų40.484%0.83924%0.236SC*.  trans-88.86.7174.5590000113.2T450T450-S452 PolarHBondContact O-N 3.05Å
453E89.6Confident92.1Very high63 Ų6340.1 Ų40.129%0.29423%0.233SC..  trans-54.3126.6178.2-175.5175.3-150.200110.1S451 R455 D457 R458S451-E453 VanDerWaalsContact C-N 3.29Å; S451-E453 WeakPolarHBondContact OG-CB 3.47Å; S451-E453 PolarHBondContact OG-N 3.4Å; E453-R455 PolarHBondContact O-N 3Å; E453-D457 HydrophobicContact CG-CB 4.08Å; E453-R458 HydrophobicContact CB-CG 4.38Å; E453-R458 HydrophobicContact CG-CG 3.88Å; E453-R458 PolarHBondContact O-NH1 3.39Å; E453-R458 WeakPolarHBondContact OE2-CG 3.49Å
454P90.4Very high92.5Very high35 Ų3538.2 Ų38.223%0.22722%0.217CC..  trans-56.1140.2179.1-25.634.3000111.5M456 D457 R458P454-M456 VanDerWaalsContact C-N 3.27Å; P454-M456 PolarHBondContact O-N 2.8Å; P454-D457 HydrophobicContact CB-CB 4.49Å; P454-D457 WeakPolarHBondContact O-CB 3.38Å; P454-D457 PolarHBondContact O-N 3.4Å; P454-R458 PolarHBondContact O-N 3.31Å
455R92.1Very high92.9Very high46 Ų4636.9 Ų36.917%0.17421%0.212CC..Hα-helixtrans-54.5-45-179.4-174.1175.1-163.7-156.70.4112L19 S442 E445 E453 D457 R458 I459L19-R455 HydrophobicContact CD1-CB 4.34Å; L19-R455 HydrophobicContact CD1-CG 4.09Å; S442-R455 PolarHBondContact O-NH1 2.98Å; S442-R455 PolarHBondContact O-NH2 3.13Å; E445-R455 PolarHBondContact O-NH2 3.1Å; E445-R455 WeakPolarHBondContact OE2-CG 3.29Å; E445-R455 IonicContact OE2-CZ 3.04Å; E445-R455 IonicContact OE2-NE 2.8Å; E445-R455 PolarHBondContact OE2-NE 3.18Å; E445-R455 IonicContact OE2-NH2 3.48Å; E453-R455 PolarHBondContact O-N 3Å; R455-D457 PolarHBondContact O-N 3.14Å; R455-R458 WeakPolarHBondContact O-CB 3.47Å; R455-R458 PolarHBondContact O-N 3.27Å; R455-R458 VanDerWaalsContact O-N 3.13Å; R455-I459 HydrophobicContact CG-CG1 4.37Å; R455-I459 WeakPolarHBondContact O-CG1 3.48Å; R455-I459 PolarHBondContact O-N 3.32Å
456M94.7Very high93.3Very high0 Ų038.1 Ų38.10%022%0.217CC..Hα-helixtrans-53.6-40176.4-172.156.274.400112.7L19 F20 V438 P454 R458 I459 L460 C505 F508 K510L19-M456 HydrophobicContact CD1-CE 4.19Å; L19-M456 HydrophobicContact CD2-CE 3.7Å; L19-M456 HydrophobicContact CG-CE 3.78Å; L19-M456 WeakPolarHBondContact O-CB 3.36Å; L19-M456 PolarHBondContact O-N 2.79Å; F20-M456 HydrophobicContact CD1-CB 4.31Å; F20-M456 HydrophobicContact CD1-CG 4.38Å; F20-M456 HydrophobicContact CE1-CB 4.32Å; F20-M456 HydrophobicContact CE1-CE 3.73Å; F20-M456 HydrophobicContact CE1-CG 3.96Å; F20-M456 HydrophobicContact CE2-CE 4.02Å; F20-M456 HydrophobicContact CZ-CE 3.36Å; V438-M456 HydrophobicContact CG1-CE 3.59Å; V438-M456 HydrophobicContact CG1-SD 3.41Å; V438-M456 WeakPolarHBondContact CG1-SD 3.19Å; P454-M456 VanDerWaalsContact C-N 3.27Å; P454-M456 PolarHBondContact O-N 2.8Å; M456-R458 VanDerWaalsContact C-N 3.34Å; M456-R458 PolarHBondContact O-N 2.66Å; M456-I459 PolarHBondContact O-N 3.09Å; M456-L460 HydrophobicContact CG-CD1 4.15Å; M456-L460 HydrophobicContact CG-CG 4.42Å; M456-L460 VanDerWaalsContact O-CG 3.26Å; M456-L460 WeakPolarHBondContact O-CG 3.47Å; M456-L460 PolarHBondContact O-N 3.49Å; M456-L460 HydrophobicContact SD-CD2 4.48Å; M456-L460 HydrophobicContact SD-CG 4.29Å; M456-C505 HydrophobicContact CE-CB 4.28Å; M456-F508 HydrophobicContact CE-CD1 4.19Å; M456-F508 HydrophobicContact CE-CE1 3.87Å; M456-F508 HydrophobicContact CG-CD1 4.36Å; M456-F508 HydrophobicContact CG-CE1 4.31Å; M456-F508 HydrophobicContact SD-CD1 4.28Å; M456-F508 HydrophobicContact SD-CE1 3.72Å; M456-F508 HydrophobicContact SD-CZ 4.12Å; M456-K510 HydrophobicContact CG-CD 3.93Å
457D96.6Very high93.6Very high30 Ų3038.6 Ų38.616%0.1622%0.218CC..Hα-helixtrans-67.7-39-177.8-62.511000110.5E453 P454 R455 L460 K461 K510 I512E453-D457 HydrophobicContact CG-CB 4.08Å; P454-D457 HydrophobicContact CB-CB 4.49Å; P454-D457 WeakPolarHBondContact O-CB 3.38Å; P454-D457 PolarHBondContact O-N 3.4Å; R455-D457 PolarHBondContact O-N 3.14Å; D457-L460 PolarHBondContact O-N 3.08Å; D457-K461 WeakPolarHBondContact O-CB 3.25Å; D457-K461 PolarHBondContact O-N 3.26Å; D457-K510 WeakPolarHBondContact OD1-CD 3.3Å; D457-K510 VanDerWaalsContact OD1-CE 3.28Å; D457-K510 WeakPolarHBondContact OD1-CE 3.45Å; D457-K510 IonicContact OD1-NZ 2.9Å; D457-K510 PolarHBondContact OD1-NZ 2.97Å; D457-K510 IonicContact OD2-NZ 3.02Å; D457-I512 HydrophobicContact CB-CD1 3.73Å
458R96.3Very high94Very high22 Ų2235.9 Ų35.98%0.08321%0.207CC..Hα-helixtrans-63.3-44.8172.6-56-165.7-53.2-95.31.9112.1E445 E453 P454 R455 M456 L460 K461 H462E445-R458 IonicContact OE1-CZ 3.62Å; E445-R458 IonicContact OE1-NE 3.87Å; E445-R458 PolarHBondContact OE1-NE 3.23Å; E445-R458 IonicContact OE1-NH2 2.68Å; E445-R458 PolarHBondContact OE1-NH2 2.87Å; E445-R458 IonicContact OE2-NH2 2.73Å; E445-R458 PolarHBondContact OE2-NH2 2.92Å; E453-R458 HydrophobicContact CB-CG 4.38Å; E453-R458 HydrophobicContact CG-CG 3.88Å; E453-R458 PolarHBondContact O-NH1 3.39Å; E453-R458 WeakPolarHBondContact OE2-CG 3.49Å; P454-R458 PolarHBondContact O-N 3.31Å; R455-R458 WeakPolarHBondContact O-CB 3.47Å; R455-R458 PolarHBondContact O-N 3.27Å; R455-R458 VanDerWaalsContact O-N 3.13Å; M456-R458 VanDerWaalsContact C-N 3.34Å; M456-R458 PolarHBondContact O-N 2.66Å; R458-L460 PolarHBondContact O-N 3Å; R458-K461 WeakPolarHBondContact O-CB 3.24Å; R458-K461 PolarHBondContact O-N 3.47Å; R458-H462 PolarHBondContact O-CD2 2.9Å; R458-H462 VanDerWaalsContact O-CD2 3.25Å; R458-H462 VanDerWaalsContact O-CG 3.31Å; R458-H462 PolarHBondContact O-N 3.25Å
459I97.6Very high94.5Very high0 Ų033.6 Ų33.60%019%0.194CC..Hα-helixtrans-58.7-47.2177.1-63.1-56.7000111.4V438 L441 E445 R455 M456 K461 H462V438-I459 HydrophobicContact CG1-CG2 4.29Å; L441-I459 HydrophobicContact CB-CD1 3.99Å; L441-I459 HydrophobicContact CB-CG2 3.79Å; L441-I459 HydrophobicContact CD1-CG2 4.2Å; E445-I459 HydrophobicContact CB-CD1 3.45Å; E445-I459 VanDerWaalsContact CB-CD1 3.45Å; E445-I459 HydrophobicContact CG-CD1 3.75Å; R455-I459 HydrophobicContact CG-CG1 4.37Å; R455-I459 WeakPolarHBondContact O-CG1 3.48Å; R455-I459 PolarHBondContact O-N 3.32Å; M456-I459 PolarHBondContact O-N 3.09Å; I459-K461 VanDerWaalsContact C-N 3.34Å; I459-H462 WeakPolarHBondContact O-CB 3.5Å; I459-H462 PolarHBondContact O-N 3.37Å
460L98.4Very high95Very high0 Ų031.9 Ų31.90%018%0.176CC..Hα-helixtrans-67.1-37.7178.9-62.2175.4000111.6V438 M456 D457 R458 H462 L463 F508 K510 I512 F517V438-L460 HydrophobicContact CG2-CD2 3.88Å; M456-L460 HydrophobicContact CG-CD1 4.15Å; M456-L460 HydrophobicContact CG-CG 4.42Å; M456-L460 VanDerWaalsContact O-CG 3.26Å; M456-L460 WeakPolarHBondContact O-CG 3.47Å; M456-L460 PolarHBondContact O-N 3.49Å; M456-L460 HydrophobicContact SD-CD2 4.48Å; M456-L460 HydrophobicContact SD-CG 4.29Å; D457-L460 PolarHBondContact O-N 3.08Å; R458-L460 PolarHBondContact O-N 3Å; L460-H462 VanDerWaalsContact C-N 3.3Å; L460-H462 PolarHBondContact O-N 2.99Å; L460-L463 PolarHBondContact O-N 3.39Å; L460-F508 HydrophobicContact CD1-CD2 4.42Å; L460-F508 HydrophobicContact CD1-CE2 3.83Å; L460-F508 HydrophobicContact CD1-CZ 4.24Å; L460-F508 HydrophobicContact CD2-CE2 4.13Å; L460-F508 HydrophobicContact CD2-CZ 3.91Å; L460-K510 HydrophobicContact CD1-CB 4.12Å; L460-K510 HydrophobicContact CD1-CD 4.11Å; L460-I512 HydrophobicContact CB-CG1 3.94Å; L460-I512 HydrophobicContact CD1-CG1 4.03Å; L460-F517 HydrophobicContact CB-CD1 4.34Å; L460-F517 HydrophobicContact CB-CD2 4.32Å; L460-F517 HydrophobicContact CB-CE1 4.31Å; L460-F517 HydrophobicContact CB-CE2 4.31Å; L460-F517 HydrophobicContact CB-CG 4.33Å; L460-F517 HydrophobicContact CB-CZ 4.29Å; L460-F517 HydrophobicContact CD1-CB 3.89Å; L460-F517 HydrophobicContact CD1-CD1 4.46Å; L460-F517 HydrophobicContact CD1-CD2 4.42Å; L460-F517 HydrophobicContact CD1-CG 4.02Å; L460-F517 HydrophobicContact CD2-CB 4.34Å; L460-F517 HydrophobicContact CD2-CD1 3.62Å; L460-F517 HydrophobicContact CD2-CE1 4.06Å; L460-F517 HydrophobicContact CD2-CG 4.04Å; L460-F517 HydrophobicContact CG-CD1 4.33Å; L460-F517 HydrophobicContact CG-CG 4.34Å
461K97.6Very high95.5Very high60 Ų6025.8 Ų25.826%0.26114%0.139SC..Hα-helixtrans-61.5-36.3174.4-179.7177.9-174.3174.80112.2D457 R458 I459 L463 L464 L465 I512D457-K461 WeakPolarHBondContact O-CB 3.25Å; D457-K461 PolarHBondContact O-N 3.26Å; R458-K461 WeakPolarHBondContact O-CB 3.24Å; R458-K461 PolarHBondContact O-N 3.47Å; I459-K461 VanDerWaalsContact C-N 3.34Å; K461-L463 VanDerWaalsContact C-N 3.32Å; K461-L463 PolarHBondContact O-N 3.22Å; K461-L464 PolarHBondContact O-N 2.94Å; K461-L465 HydrophobicContact CD-CD1 4.23Å; K461-L465 HydrophobicContact CG-CD1 3.68Å; K461-L465 HydrophobicContact CG-CG 4.02Å; K461-L465 WeakPolarHBondContact O-CG 3.43Å; K461-L465 PolarHBondContact O-N 3.35Å; K461-I512 HydrophobicContact CB-CG2 4.05Å
462H98.1Very high95.9Very high6 Ų624 Ų243%0.02813%0.126CC..Hα-helixtrans-58.2-41.3176.1-70.7-39000112.6S261 F263 R458 I459 L460 L464 L465 Q466S261-H462 PolarHBondContact O-CE1 3.38Å; S261-H462 VanDerWaalsContact O-CE1 3.3Å; S261-H462 PolarHBondContact OG-CE1 3.22Å; S261-H462 PolarHBondContact OG-NE2 3.02Å; F263-H462 HydrophobicContact CD1-CB 4.34Å; F263-H462 AromaticContact CD1-CD2 3.63Å; F263-H462 AromaticContact CD1-CG 3.81Å; F263-H462 AromaticContact CD1-NE2 3.85Å; F263-H462 HydrophobicContact CE1-CB 3.75Å; F263-H462 AromaticContact CE1-CD2 3.87Å; F263-H462 AromaticContact CE1-CG 3.53Å; F263-H462 AromaticContact CE1-ND1 3.75Å; F263-H462 HydrophobicContact CZ-CB 4.49Å; R458-H462 PolarHBondContact O-CD2 2.9Å; R458-H462 VanDerWaalsContact O-CD2 3.25Å; R458-H462 VanDerWaalsContact O-CG 3.31Å; R458-H462 PolarHBondContact O-N 3.25Å; I459-H462 WeakPolarHBondContact O-CB 3.5Å; I459-H462 PolarHBondContact O-N 3.37Å; L460-H462 VanDerWaalsContact C-N 3.3Å; L460-H462 PolarHBondContact O-N 2.99Å; H462-L464 VanDerWaalsContact C-N 3.29Å; H462-L464 PolarHBondContact O-N 3Å; H462-L465 PolarHBondContact O-N 3.18Å; H462-Q466 WeakPolarHBondContact O-CB 3.48Å; H462-Q466 WeakPolarHBondContact O-CG 3.24Å; H462-Q466 PolarHBondContact O-N 3.33Å
463L98.4Very high96.2Very high6 Ų621.5 Ų21.53%0.03110%0.099CC..Hα-helixtrans-59-42.2177.4-60.4178.5000112.1V437 L441 L460 K461 R467 S468 P471 T501 F517V437-L463 HydrophobicContact CG1-CD1 3.98Å; V437-L463 HydrophobicContact CG1-CD2 4.09Å; V437-L463 HydrophobicContact CG2-CD2 3.69Å; L441-L463 HydrophobicContact CD1-CD2 3.73Å; L441-L463 HydrophobicContact CD1-CG 4.35Å; L460-L463 PolarHBondContact O-N 3.39Å; K461-L463 VanDerWaalsContact C-N 3.32Å; K461-L463 PolarHBondContact O-N 3.22Å; L463-R467 PolarHBondContact O-N 2.97Å; L463-S468 PolarHBondContact O-N 3.49Å; L463-P471 HydrophobicContact CD2-CG 4.07Å; L463-T501 HydrophobicContact CD1-CG2 4.27Å; L463-F517 HydrophobicContact CD1-CE1 4.07Å
464L98Very high96.3Very high0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-69.4-52.7178-58.9-176.8000111.1L289 P290 K461 H462 Q466 R467 L492 L495 I512 H513 C515 F517L289-L464 HydrophobicContact CD2-CB 3.86Å; L289-L464 HydrophobicContact CD2-CD1 4.4Å; P290-L464 VanDerWaalsContact CD-O 3.22Å; P290-L464 WeakPolarHBondContact CD-O 3.4Å; K461-L464 PolarHBondContact O-N 2.94Å; H462-L464 VanDerWaalsContact C-N 3.29Å; H462-L464 PolarHBondContact O-N 3Å; L464-Q466 VanDerWaalsContact C-N 3.26Å; L464-Q466 PolarHBondContact O-N 2.74Å; L464-R467 WeakPolarHBondContact O-CG 3.49Å; L464-R467 PolarHBondContact O-N 3.27Å; L464-L492 HydrophobicContact CD2-CD2 3.88Å; L464-L495 HydrophobicContact CD1-CD1 3.69Å; L464-L495 HydrophobicContact CD2-CD1 3.84Å; L464-L495 HydrophobicContact CG-CD1 4.31Å; L464-I512 HydrophobicContact CD1-CG2 4.09Å; L464-H513 HydrophobicContact CD1-CB 4.24Å; L464-C515 HydrophobicContact CD1-CB 4.37Å; L464-F517 HydrophobicContact CD1-CE2 4.03Å; L464-F517 HydrophobicContact CD1-CZ 4.29Å; L464-F517 HydrophobicContact CD2-CE2 4.22Å; L464-F517 HydrophobicContact CD2-CZ 3.8Å; L464-F517 HydrophobicContact CG-CE2 4.16Å; L464-F517 HydrophobicContact CG-CZ 3.9Å
465L97.8Very high96.4Very high22 Ų2222 Ų2212%0.11511%0.108CC..Hα-helixtrans-62.2-34.6-176.2-71.9177.6000113A286 G287 V288 L289 K461 H462 R467A286-L465 HydrophobicContact CB-CD1 3.93Å; G287-L465 WeakPolarHBondContact CA-O 3.47Å; V288-L465 PolarHBondContact N-O 2.9Å; L289-L465 HydrophobicContact CD2-CD2 3.79Å; L289-L465 HydrophobicContact CD2-CG 4.35Å; L289-L465 HydrophobicContact CG-CD2 3.86Å; K461-L465 HydrophobicContact CD-CD1 4.23Å; K461-L465 HydrophobicContact CG-CD1 3.68Å; K461-L465 HydrophobicContact CG-CG 4.02Å; K461-L465 WeakPolarHBondContact O-CG 3.43Å; K461-L465 PolarHBondContact O-N 3.35Å; H462-L465 PolarHBondContact O-N 3.18Å; L465-R467 VanDerWaalsContact C-N 3.3Å
466Q97.9Very high96.3Very high30 Ų3020.9 Ų20.914%0.1411%0.109CC..THydrogen-bonded Turntrans-87.1-3.4178.7-61.4-71.3-58.900112.8F263 I267 A286 H462 L464 S468 P471F263-Q466 HydrophobicContact CE1-CG 4.36Å; F263-Q466 HydrophobicContact CZ-CG 3.89Å; I267-Q466 PolarHBondContact O-NE2 3.46Å; A286-Q466 PolarHBondContact O-NE2 2.71Å; H462-Q466 WeakPolarHBondContact O-CB 3.48Å; H462-Q466 WeakPolarHBondContact O-CG 3.24Å; H462-Q466 PolarHBondContact O-N 3.33Å; L464-Q466 VanDerWaalsContact C-N 3.26Å; L464-Q466 PolarHBondContact O-N 2.74Å; Q466-S468 PolarHBondContact O-N 3.11Å; Q466-S468 VanDerWaalsContact O-N 3.09Å; Q466-P471 HydrophobicContact CB-CB 3.63Å; Q466-P471 HydrophobicContact CB-CG 4.24Å; Q466-P471 HydrophobicContact CG-CB 3.93Å; Q466-P471 HydrophobicContact CG-CG 4.45Å
467R97.6Very high96.1Very high31 Ų3130 Ų3012%0.11715%0.154CC..THydrogen-bonded Turntrans47.742178.6-59.6-173.2177.7-168.52.3112.3V288 L289 P290 L463 L464 L465 L492V288-R467 PolarHBondContact O-NE 2.99Å; L289-R467 PolarHBondContact O-NH2 3.39Å; P290-R467 HydrophobicContact CB-CG 4.1Å; P290-R467 HydrophobicContact CG-CG 4.3Å; L463-R467 PolarHBondContact O-N 2.97Å; L464-R467 WeakPolarHBondContact O-CG 3.49Å; L464-R467 PolarHBondContact O-N 3.27Å; L465-R467 VanDerWaalsContact C-N 3.3Å; R467-L492 WeakPolarHBondContact CA-O 3.26Å; R467-L492 WeakPolarHBondContact CB-O 3.49Å; R467-L492 PolarHBondContact O-N 3.11Å
468S97.9Very high95.7Very high4 Ų431.2 Ų31.23%0.02816%0.158CC..BIsolated β-bridgetrans-145.2140-177.7-171.90000111.3L463 Q466 Y470 G490L463-S468 PolarHBondContact O-N 3.49Å; Q466-S468 PolarHBondContact O-N 3.11Å; Q466-S468 VanDerWaalsContact O-N 3.09Å; S468-Y470 PolarHBondContact O-N 3.48Å; S468-Y470 PolarHBondContact OG-N 3.43Å; S468-Y470 PolarHBondContact OG-O 2.68Å; S468-G490 WeakPolarHBondContact CA-O 3.27Å; S468-G490 PolarHBondContact OG-O 2.83Å; S468-G490 VanDerWaalsContact OG-O 3.11Å
469F98.4Very high95.6Very high12 Ų1230.6 Ų30.65%0.05316%0.157CC..SBendtrans-66.7-17.1170.5-79.2-81.4000113.2F398 P420 I422 A431 T433 V437 G490 Q491 L492F398-F469 HydrophobicContact CZ-CB 4.41Å; P420-F469 HydrophobicContact CB-CB 3.95Å; P420-F469 HydrophobicContact CB-CD1 3.53Å; P420-F469 HydrophobicContact CB-CD2 3.6Å; P420-F469 HydrophobicContact CB-CE1 3.77Å; P420-F469 HydrophobicContact CB-CE2 3.84Å; P420-F469 HydrophobicContact CB-CG 3.41Å; P420-F469 VanDerWaalsContact CB-CG 3.41Å; P420-F469 HydrophobicContact CB-CZ 3.9Å; P420-F469 HydrophobicContact CG-CB 3.74Å; P420-F469 HydrophobicContact CG-CD1 4.2Å; P420-F469 HydrophobicContact CG-CD2 3.46Å; P420-F469 VanDerWaalsContact CG-CD2 3.46Å; P420-F469 HydrophobicContact CG-CE2 4.03Å; P420-F469 HydrophobicContact CG-CG 3.55Å; I422-F469 HydrophobicContact CD1-CE2 4.08Å; I422-F469 HydrophobicContact CD1-CZ 4.37Å; I422-F469 HydrophobicContact CG1-CE2 3.79Å; I422-F469 HydrophobicContact CG1-CZ 3.72Å; A431-F469 HydrophobicContact CB-CE1 3.83Å; A431-F469 HydrophobicContact CB-CZ 3.65Å; T433-F469 HydrophobicContact CG2-CD1 4.29Å; V437-F469 WeakPolarHBondContact CG2-O 3.24Å; F469-G490 PolarHBondContact N-O 3.22Å; F469-Q491 WeakPolarHBondContact CD2-O 3.42Å; F469-Q491 WeakPolarHBondContact CE2-O 3.22Å; F469-L492 HydrophobicContact CD2-CB 4.45Å; F469-L492 HydrophobicContact CE1-CD1 4.47Å; F469-L492 HydrophobicContact CE2-CB 4.49Å; F469-L492 HydrophobicContact CE2-CD1 4.01Å; F469-L492 HydrophobicContact CZ-CD1 3.93Å
470Y98.2Very high95.5Very high1 Ų135.1 Ų35.10%0.00418%0.181CC..  trans-151.884.5179.4-156.3-87.8000111.3F398 T435 V437 H440 S468 L472 A476 L479 L481F398-Y470 HydrophobicContact CE1-CD2 4.47Å; F398-Y470 HydrophobicContact CE1-CG 4.19Å; T435-Y470 HydrophobicContact CG2-CD2 3.81Å; T435-Y470 HydrophobicContact CG2-CE2 3.68Å; V437-Y470 HydrophobicContact CB-CD2 3.84Å; V437-Y470 HydrophobicContact CB-CE2 4.08Å; V437-Y470 HydrophobicContact CG2-CD2 3.57Å; V437-Y470 HydrophobicContact CG2-CE2 3.92Å; V437-Y470 HydrophobicContact CG2-CG 4.31Å; H440-Y470 HydrophobicContact CB-CE2 4.41Å; H440-Y470 AromaticContact ND1-CE2 3.23Å; H440-Y470 WeakPolarHBondContact ND1-CE2 3.09Å; H440-Y470 AromaticContact ND1-CZ 3.42Å; H440-Y470 PolarHBondContact ND1-OH 2.98Å; S468-Y470 PolarHBondContact O-N 3.48Å; S468-Y470 PolarHBondContact OG-N 3.43Å; S468-Y470 PolarHBondContact OG-O 2.68Å; Y470-L472 HydrophobicContact CD1-CB 4.46Å; Y470-L472 HydrophobicContact CE1-CB 3.93Å; Y470-A476 PolarHBondContact OH-N 2.89Å; Y470-A476 VanDerWaalsContact OH-N 3.14Å; Y470-L479 HydrophobicContact CD1-CD2 4.08Å; Y470-L479 HydrophobicContact CD2-CD2 3.76Å; Y470-L479 HydrophobicContact CE1-CD2 3.67Å; Y470-L479 HydrophobicContact CE2-CD2 3.34Å; Y470-L479 HydrophobicContact CG-CD2 4.11Å; Y470-L481 HydrophobicContact CD1-CD2 4.22Å; Y470-L481 HydrophobicContact CE1-CD2 4.47Å
471P97.2Very high95.3Very high9 Ų936.3 Ų36.36%0.05819%0.187CC..  trans-84.6-13.7-176.732.5-34.5000114.2F263 L441 L463 Q466 Y473F263-P471 HydrophobicContact CE2-CB 3.94Å; F263-P471 HydrophobicContact CE2-CG 4.12Å; F263-P471 HydrophobicContact CZ-CB 3.86Å; F263-P471 HydrophobicContact CZ-CG 3.99Å; L441-P471 HydrophobicContact CD1-CG 4.07Å; L441-P471 HydrophobicContact CD2-CG 4.27Å; L463-P471 HydrophobicContact CD2-CG 4.07Å; Q466-P471 HydrophobicContact CB-CB 3.63Å; Q466-P471 HydrophobicContact CB-CG 4.24Å; Q466-P471 HydrophobicContact CG-CB 3.93Å; Q466-P471 HydrophobicContact CG-CG 4.45Å; P471-Y473 PolarHBondContact O-N 3.46Å
472L95.3Very high95.2Very high6 Ų634 Ų343%0.03118%0.177CC..  trans-66.1127.2-178.4-17667.2000111.1F263 P264 H440 L441 E444 Y470F263-L472 HydrophobicContact CD2-CD1 4.06Å; P264-L472 HydrophobicContact CB-CD1 4.41Å; H440-L472 HydrophobicContact CB-CD2 3.88Å; L441-L472 HydrophobicContact CD2-CB 3.88Å; L441-L472 HydrophobicContact CD2-CD1 4.24Å; E444-L472 HydrophobicContact CB-CD1 3.93Å; E444-L472 HydrophobicContact CG-CD1 3.93Å; E444-L472 HydrophobicContact CG-CD2 4.27Å; Y470-L472 HydrophobicContact CD1-CB 4.46Å; Y470-L472 HydrophobicContact CE1-CB 3.93Å
473Y92.5Very high95.1Very high68 Ų6834.7 Ų34.727%0.26718%0.182SC..SBendtrans-142.8126.5176.5179.6-97.1000111.8L187 L227 P264 G265 P471 I483L187-Y473 HydrophobicContact CD1-CE1 4.13Å; L227-Y473 HydrophobicContact CD2-CD1 4.49Å; P264-Y473 CarbonylContact C-O 3.59Å; P264-Y473 WeakPolarHBondContact CB-O 3.33Å; P264-Y473 PolarHBondContact O-N 3.13Å; G265-Y473 PolarHBondContact N-O 2.91Å; P471-Y473 PolarHBondContact O-N 3.46Å; Y473-I483 HydrophobicContact CD2-CD1 4.32Å; Y473-I483 HydrophobicContact CE2-CD1 3.65Å
474P90.8Very high94.8Very high75 Ų7537.3 Ų37.349%0.48720%0.195SC..SBendcis-60.5159.1-5.4-22.634.8000113.8
475S92.9Very high94.7Very high34 Ų3437.6 Ų37.624%0.23820%0.197CC..PPolyproline II helixtrans-70160.3177.856.80000112.3L479 L481S475-L479 PolarHBondContact OG-O 2.98Å; S475-L481 WeakPolarHBondContact OG-CB 3.24Å
476A91.6Very high94.6Very high22 Ų2237 Ų3718%0.18219%0.194CC..PPolyproline II helixtrans-57.4145.9171.200000111.2H440 Y470 E478 L479H440-A476 HydrophobicContact CB-CB 4.11Å; Y470-A476 PolarHBondContact OH-N 2.89Å; Y470-A476 VanDerWaalsContact OH-N 3.14Å; A476-E478 HydrophobicContact CB-CG 4.29Å; A476-E478 PolarHBondContact O-N 3Å; A476-L479 PolarHBondContact O-N 3.28Å
477M88.4Confident94.4Very high193 Ų19337 Ų3795%0.95120%0.198SC*.THydrogen-bonded Turntrans-56.8-27.5-175.2-69.2-62.2-63.400114.6L479M477-L479 VanDerWaalsContact C-N 3.32Å
478E89.3Confident94.2Very high54 Ų5442.1 Ų42.125%0.25222%0.217SC..THydrogen-bonded Turntrans-82.9-4.3178.657.5171.4-119.200113.8Q390 R439 H440 A476Q390-E478 PolarHBondContact NE2-OE1 2.86Å; R439-E478 IonicContact CZ-OE1 3.82Å; R439-E478 IonicContact CZ-OE2 2.8Å; R439-E478 IonicContact NH1-OE1 2.91Å; R439-E478 IonicContact NH1-OE2 2.76Å; R439-E478 PolarHBondContact NH1-OE2 2.88Å; R439-E478 IonicContact NH2-OE1 3.58Å; R439-E478 PolarHBondContact NH2-OE1 2.89Å; R439-E478 IonicContact NH2-OE2 3.11Å; R439-E478 PolarHBondContact NH2-OE2 2.78Å; H440-E478 IonicContact CD2-OE1 2.68Å; H440-E478 IonicContact CE1-OE1 3.77Å; H440-E478 IonicContact NE2-OE1 2.68Å; H440-E478 PolarHBondContact NE2-OE1 2.87Å; A476-E478 HydrophobicContact CB-CG 4.29Å; A476-E478 PolarHBondContact O-N 3Å
479L94.5Very high94.1Very high10 Ų1043.7 Ų43.75%0.05222%0.222CC..  trans-111.5115.1-177.6-171.371.9000111.1F398 T435 Y470 S475 A476 M477 L481F398-L479 HydrophobicContact CB-CD1 3.66Å; F398-L479 HydrophobicContact CB-CD2 4.41Å; F398-L479 HydrophobicContact CB-CG 4.14Å; F398-L479 HydrophobicContact CD1-CD2 4.21Å; F398-L479 HydrophobicContact CG-CD1 4.13Å; F398-L479 HydrophobicContact CG-CD2 4.41Å; T435-L479 HydrophobicContact CG2-CD1 3.8Å; T435-L479 HydrophobicContact CG2-CD2 3.93Å; Y470-L479 HydrophobicContact CD1-CD2 4.08Å; Y470-L479 HydrophobicContact CD2-CD2 3.76Å; Y470-L479 HydrophobicContact CE1-CD2 3.67Å; Y470-L479 HydrophobicContact CE2-CD2 3.34Å; Y470-L479 HydrophobicContact CG-CD2 4.11Å; S475-L479 PolarHBondContact OG-O 2.98Å; A476-L479 PolarHBondContact O-N 3.28Å; M477-L479 VanDerWaalsContact C-N 3.32Å; L479-L481 HydrophobicContact CD2-CB 4.5Å; L479-L481 PolarHBondContact O-N 2.93Å
480N95.1Very high94.1Very high95 Ų9543.1 Ų43.151%0.50822%0.22SC..  trans-77.884.9170.7-63.1-35.8000110.2P396 V397 F398P396-N480 WeakPolarHBondContact O-CB 3.27Å; P396-N480 PolarHBondContact O-ND2 2.98Å; V397-N480 WeakPolarHBondContact CA-O 3.46Å; F398-N480 PolarHBondContact N-O 3.28Å
481L95.1Very high94Very high25 Ų2545.3 Ų45.313%0.13123%0.23CC..BIsolated β-bridgetrans-84.2123.9-176.4179.263.9000112.5F398 Y470 S475 L479 I483 L486F398-L481 HydrophobicContact CD1-CD1 3.69Å; F398-L481 HydrophobicContact CE1-CD1 4.37Å; Y470-L481 HydrophobicContact CD1-CD2 4.22Å; Y470-L481 HydrophobicContact CE1-CD2 4.47Å; S475-L481 WeakPolarHBondContact OG-CB 3.24Å; L479-L481 HydrophobicContact CD2-CB 4.5Å; L479-L481 PolarHBondContact O-N 2.93Å; L481-I483 HydrophobicContact CD2-CG1 4.16Å; L481-I483 HydrophobicContact CG-CG1 4.26Å; L481-L486 HydrophobicContact CD1-CB 4.11Å; L481-L486 HydrophobicContact CD1-CD1 4.01Å; L481-L486 HydrophobicContact CD1-CD2 4.08Å; L481-L486 HydrophobicContact CD1-CG 4.27Å; L481-L486 HydrophobicContact CD2-CD2 4.31Å
482D95.2Very high94Very high10 Ų1045 Ų455%0.05323%0.228CC..  trans-95.196.6164-175.4-29.1000109.5Q178 V397 F398 I484 A485 L486Q178-D482 PolarHBondContact NE2-OD1 2.98Å; V397-D482 HydrophobicContact CG2-CB 3.86Å; F398-D482 PolarHBondContact O-N 3.16Å; D482-I484 VanDerWaalsContact C-N 3.32Å; D482-I484 PolarHBondContact O-N 3.36Å; D482-I484 PolarHBondContact OD1-N 3.47Å; D482-I484 VanDerWaalsContact OD1-N 3.07Å; D482-A485 HydrophobicContact CB-CB 3.9Å; D482-A485 PolarHBondContact O-N 3.06Å; D482-A485 PolarHBondContact OD1-N 3.16Å; D482-L486 WeakPolarHBondContact O-CB 3.41Å; D482-L486 PolarHBondContact O-N 3.44Å
483I94.2Very high94Very high22 Ų2246 Ų4611%0.11324%0.235CC..Hα-helixtrans-54.8-39.6178.2-56.7165.5000113.8V183 C186 Y473 L481 L486 S487V183-I483 HydrophobicContact CG1-CD1 3.6Å; V183-I483 HydrophobicContact CG1-CG2 4.14Å; V183-I483 HydrophobicContact CG2-CB 4.35Å; V183-I483 HydrophobicContact CG2-CD1 4.14Å; C186-I483 HydrophobicContact CB-CG2 4.5Å; Y473-I483 HydrophobicContact CD2-CD1 4.32Å; Y473-I483 HydrophobicContact CE2-CD1 3.65Å; L481-I483 HydrophobicContact CD2-CG1 4.16Å; L481-I483 HydrophobicContact CG-CG1 4.26Å; I483-L486 WeakPolarHBondContact O-CB 3.39Å; I483-L486 PolarHBondContact O-N 2.84Å; I483-S487 PolarHBondContact O-N 2.86Å
484I94Very high94.2Very high60 Ų6043.3 Ų43.331%0.30823%0.225SC..Hα-helixtrans-68.7-42.1-180-59.6172.9000109.6Q178 D182 D482 S487Q178-I484 HydrophobicContact CB-CD1 4.19Å; Q178-I484 HydrophobicContact CG-CD1 4.2Å; Q178-I484 VanDerWaalsContact NE2-N 3.2Å; D182-I484 HydrophobicContact CB-CD1 3.64Å; D182-I484 HydrophobicContact CB-CG1 4.28Å; D482-I484 VanDerWaalsContact C-N 3.32Å; D482-I484 PolarHBondContact O-N 3.36Å; D482-I484 PolarHBondContact OD1-N 3.47Å; D482-I484 VanDerWaalsContact OD1-N 3.07Å; I484-S487 PolarHBondContact O-OG 3.3Å
485A94.9Very high94.4Very high7 Ų740.7 Ų40.76%0.05821%0.207CC..Hα-helixtrans-67.8-3917300000111.6P399 D482 S487 R488 Y489P399-A485 HydrophobicContact CG-CB 4.38Å; D482-A485 HydrophobicContact CB-CB 3.9Å; D482-A485 PolarHBondContact O-N 3.06Å; D482-A485 PolarHBondContact OD1-N 3.16Å; A485-S487 VanDerWaalsContact C-N 3.32Å; A485-S487 PolarHBondContact O-N 3.43Å; A485-R488 PolarHBondContact O-N 2.9Å; A485-Y489 HydrophobicContact CB-CD2 4.21Å; A485-Y489 VanDerWaalsContact O-CD2 3.28Å; A485-Y489 WeakPolarHBondContact O-CD2 3.46Å; A485-Y489 PolarHBondContact O-N 2.59Å
486L95.5Very high94.6Very high8 Ų839.1 Ų39.14%0.04220%0.196CC..Hα-helixtrans-58.9-42.5176.6-177.480.7000111.5F398 L481 D482 I483 R488 G490F398-L486 HydrophobicContact CD1-CD1 4.26Å; F398-L486 HydrophobicContact CE1-CD1 3.66Å; L481-L486 HydrophobicContact CD1-CB 4.11Å; L481-L486 HydrophobicContact CD1-CD1 4.01Å; L481-L486 HydrophobicContact CD1-CD2 4.08Å; L481-L486 HydrophobicContact CD1-CG 4.27Å; L481-L486 HydrophobicContact CD2-CD2 4.31Å; D482-L486 WeakPolarHBondContact O-CB 3.41Å; D482-L486 PolarHBondContact O-N 3.44Å; I483-L486 WeakPolarHBondContact O-CB 3.39Å; I483-L486 PolarHBondContact O-N 2.84Å; L486-R488 PolarHBondContact O-N 2.74Å; L486-G490 CarbonylContact O-C 3.57Å; L486-G490 VanDerWaalsContact O-CA 3.27Å; L486-G490 WeakPolarHBondContact O-CA 3.39Å; L486-G490 PolarHBondContact O-N 3.46Å
487S94.1Very high94.7Very high31 Ų3138.9 Ų38.922%0.21719%0.192CC..Hα-helixtrans-60.2-21.5-17977.70000112.5I483 I484 A485 Q491I483-S487 PolarHBondContact O-N 2.86Å; I484-S487 PolarHBondContact O-OG 3.3Å; A485-S487 VanDerWaalsContact C-N 3.32Å; A485-S487 PolarHBondContact O-N 3.43Å; S487-Q491 WeakPolarHBondContact O-CG 3.27Å; S487-Q491 PolarHBondContact O-NE2 3.06Å
488R93.3Very high95.2Very high139 Ų13929.7 Ų29.753%0.52515%0.146SC..Hα-helixtrans-106.2-47.3176.9-174.9171.6-178.2162.77114.1F167 A485 L486F167-R488 WeakPolarHBondContact CD1-O 3.35Å; A485-R488 PolarHBondContact O-N 2.9Å; L486-R488 PolarHBondContact O-N 2.74Å
489Y96.6Very high95.6Very high36 Ų3627.3 Ų27.314%0.14114%0.136CC..Hα-helixtrans-103.7-10.7-169.5-52.7-68.9000113.3L169 N173 A485L169-Y489 HydrophobicContact CB-CD1 4.09Å; L169-Y489 HydrophobicContact CB-CD2 4.39Å; L169-Y489 HydrophobicContact CB-CG 3.99Å; L169-Y489 HydrophobicContact CD1-CD2 4Å; L169-Y489 HydrophobicContact CD1-CE1 4.49Å; L169-Y489 HydrophobicContact CD1-CE2 3.84Å; L169-Y489 HydrophobicContact CD1-CG 4.41Å; N173-Y489 WeakPolarHBondContact ND2-CE2 3.38Å; A485-Y489 HydrophobicContact CB-CD2 4.21Å; A485-Y489 VanDerWaalsContact O-CD2 3.28Å; A485-Y489 WeakPolarHBondContact O-CD2 3.46Å; A485-Y489 PolarHBondContact O-N 2.59Å
490G96.9Very high95.8Very high0 Ų026.8 Ų26.80%013%0.133CC..SBendtrans-101.414.3177.400000114.5S468 F469 L486S468-G490 WeakPolarHBondContact CA-O 3.27Å; S468-G490 PolarHBondContact OG-O 2.83Å; S468-G490 VanDerWaalsContact OG-O 3.11Å; F469-G490 PolarHBondContact N-O 3.22Å; L486-G490 CarbonylContact O-C 3.57Å; L486-G490 VanDerWaalsContact O-CA 3.27Å; L486-G490 WeakPolarHBondContact O-CA 3.39Å; L486-G490 PolarHBondContact O-N 3.46Å
491Q96.6Very high96Very high47 Ų4722.5 Ų22.522%0.2211%0.11CC..BIsolated β-bridgetrans-78.1148.4176.4-62-164.518.900111.5F167 F469 S487 P493F167-Q491 HydrophobicContact CD1-CB 4.19Å; F167-Q491 HydrophobicContact CE1-CB 4.18Å; F167-Q491 HydrophobicContact CE1-CG 4.43Å; F469-Q491 WeakPolarHBondContact CD2-O 3.42Å; F469-Q491 WeakPolarHBondContact CE2-O 3.22Å; S487-Q491 WeakPolarHBondContact O-CG 3.27Å; S487-Q491 PolarHBondContact O-NE2 3.06Å; Q491-P493 VanDerWaalsContact C-CD 3.42Å; Q491-P493 WeakPolarHBondContact O-CD 3.45Å
492L96.9Very high96.1Very high3 Ų321.3 Ų21.32%0.01610%0.104CC..  trans-117.473.4169.2-171.963.6000108.6I422 A431 L464 R467 F469 I494 P496I422-L492 HydrophobicContact CD1-CD1 4Å; A431-L492 HydrophobicContact CB-CD1 3.81Å; L464-L492 HydrophobicContact CD2-CD2 3.88Å; R467-L492 WeakPolarHBondContact CA-O 3.26Å; R467-L492 WeakPolarHBondContact CB-O 3.49Å; R467-L492 PolarHBondContact O-N 3.11Å; F469-L492 HydrophobicContact CD2-CB 4.45Å; F469-L492 HydrophobicContact CE1-CD1 4.47Å; F469-L492 HydrophobicContact CE2-CB 4.49Å; F469-L492 HydrophobicContact CE2-CD1 4.01Å; F469-L492 HydrophobicContact CZ-CD1 3.93Å; L492-I494 PolarHBondContact O-N 2.76Å; L492-P496 HydrophobicContact CD1-CG 4.31Å
493P95.4Very high96.1Very high28 Ų2820.9 Ų20.918%0.18210%0.102CC..  trans-74.9-10.6-169.731.4-37.7000113.9F167 P291 I422 Q491F167-P493 HydrophobicContact CD2-CG 4.39Å; F167-P493 HydrophobicContact CE1-CG 4.31Å; F167-P493 HydrophobicContact CE2-CG 4.11Å; F167-P493 HydrophobicContact CZ-CB 4.31Å; F167-P493 HydrophobicContact CZ-CG 4.07Å; P291-P493 WeakPolarHBondContact CD-O 3.33Å; I422-P493 HydrophobicContact CD1-CG 4.43Å; Q491-P493 VanDerWaalsContact C-CD 3.42Å; Q491-P493 WeakPolarHBondContact O-CD 3.45Å
494I96.2Very high95.8Very high11 Ų1121.8 Ų21.86%0.05611%0.107CC..SBendtrans-126.7157.3-178.763.1160.5000109.7F163 P290 V293 I422 T429 L492 P496F163-I494 HydrophobicContact CD1-CD1 4.06Å; F163-I494 HydrophobicContact CD2-CD1 3.84Å; F163-I494 HydrophobicContact CE1-CD1 4.03Å; F163-I494 HydrophobicContact CE1-CG1 4.41Å; F163-I494 HydrophobicContact CE1-CG2 3.67Å; F163-I494 HydrophobicContact CE2-CD1 3.82Å; F163-I494 HydrophobicContact CE2-CG2 4.48Å; F163-I494 HydrophobicContact CG-CD1 3.98Å; F163-I494 HydrophobicContact CZ-CD1 3.93Å; F163-I494 HydrophobicContact CZ-CG2 3.62Å; P290-I494 VanDerWaalsContact CB-C 3.43Å; P290-I494 VanDerWaalsContact CG-C 3.48Å; P290-I494 WeakPolarHBondContact CG-O 3.5Å; V293-I494 HydrophobicContact CB-CD1 4.33Å; V293-I494 HydrophobicContact CG2-CB 3.58Å; V293-I494 HydrophobicContact CG2-CD1 3.8Å; V293-I494 HydrophobicContact CG2-CG1 4.31Å; V293-I494 HydrophobicContact CG2-CG2 3.5Å; V293-I494 VanDerWaalsContact CG2-CG2 3.5Å; I422-I494 HydrophobicContact CD1-CG1 4.35Å; I422-I494 HydrophobicContact CG2-CD1 3.98Å; I422-I494 HydrophobicContact CG2-CG1 4.48Å; T429-I494 HydrophobicContact CG2-CD1 4Å; L492-I494 PolarHBondContact O-N 2.76Å; I494-P496 WeakPolarHBondContact O-CD 3.45Å
495L96.4Very high95.6Very high19 Ų1919.3 Ų19.310%0.09910%0.095CC..BIsolated β-bridgetrans-86.3104.4165.6178.670.1000107.5P290 P291 A292 L464 H513 C515P290-L495 HydrophobicContact CG-CB 4.03Å; P291-L495 PolarHBondContact O-N 3.06Å; A292-L495 HydrophobicContact CB-CD2 4.1Å; L464-L495 HydrophobicContact CD1-CD1 3.69Å; L464-L495 HydrophobicContact CD2-CD1 3.84Å; L464-L495 HydrophobicContact CG-CD1 4.31Å; L495-H513 WeakPolarHBondContact CD2-O 3.43Å; L495-C515 HydrophobicContact CD1-CB 3.74Å; L495-C515 HydrophobicContact CG-CB 4.41Å
496P96Very high95.2Very high2 Ų219 Ų191%0.0139%0.092CC..  trans-75.3162.8-17734.5-36.5000110.8T429 A431 L492 I494 C499 C515T429-P496 VanDerWaalsContact OG1-CA 3.3Å; T429-P496 WeakPolarHBondContact OG1-CA 3.16Å; A431-P496 HydrophobicContact CB-CB 3.93Å; A431-P496 HydrophobicContact CB-CG 3.66Å; L492-P496 HydrophobicContact CD1-CG 4.31Å; I494-P496 WeakPolarHBondContact O-CD 3.45Å; P496-C499 WeakPolarHBondContact CG-SG 3.48Å; P496-C515 WeakPolarHBondContact O-CB 3.34Å; P496-C515 PolarHBondContact O-SG 3.1Å
497N94.8Very high95.1Very high16 Ų1619 Ų199%0.0869%0.092CC..SBendtrans-70.4-40.8172.8-56116.7000110.8L428 T429 I516 L545L428-N497 HydrophobicContact CD2-CB 4.33Å; T429-N497 PolarHBondContact N-OD1 3.39Å; T429-N497 WeakPolarHBondContact O-CB 3.36Å; T429-N497 PolarHBondContact O-N 3.5Å; T429-N497 PolarHBondContact OG1-N 3.02Å; T429-N497 PolarHBondContact OG1-OD1 2.91Å; N497-I516 PolarHBondContact O-N 2.88Å; N497-L545 HydrophobicContact CB-CD2 3.67Å
498F97.7Very high95.2Very high0 Ų017.7 Ų17.70%08%0.082CC..EExtended strand (participates in β ladder)trans-128136.3178.8-57.9-83000111.4L428 T429 F430 A431 I500 I516 I518 L531 V533 I549L428-F498 HydrophobicContact CD1-CE2 4.33Å; L428-F498 HydrophobicContact CD2-CE2 4.43Å; T429-F498 PolarHBondContact O-N 2.93Å; F430-F498 CarbonylContact C-O 3.52Å; F430-F498 WeakPolarHBondContact CA-O 3.33Å; F430-F498 HydrophobicContact CD1-CB 3.67Å; F430-F498 AromaticContact CD1-CD2 3.98Å; F430-F498 HydrophobicContact CD1-CD2 3.98Å; F430-F498 HydrophobicContact CD1-CG 4.04Å; F430-F498 HydrophobicContact CD2-CD2 4.21Å; F430-F498 HydrophobicContact CE1-CB 3.88Å; F430-F498 AromaticContact CE1-CD2 3.51Å; F430-F498 HydrophobicContact CE1-CD2 3.51Å; F430-F498 HydrophobicContact CE1-CE2 4.16Å; F430-F498 AromaticContact CE1-CG 3.72Å; F430-F498 HydrophobicContact CE1-CG 3.72Å; F430-F498 AromaticContact CE2-CD2 3.78Å; F430-F498 HydrophobicContact CE2-CD2 3.78Å; F430-F498 HydrophobicContact CE2-CE2 4.16Å; F430-F498 HydrophobicContact CG-CB 4.23Å; F430-F498 HydrophobicContact CG-CD2 4.31Å; F430-F498 AromaticContact CZ-CD2 3.4Å; F430-F498 HydrophobicContact CZ-CD2 3.4Å; F430-F498 VanDerWaalsContact CZ-CD2 3.4Å; F430-F498 AromaticContact CZ-CE2 3.7Å; F430-F498 HydrophobicContact CZ-CE2 3.7Å; F430-F498 HydrophobicContact CZ-CG 4.1Å; A431-F498 PolarHBondContact N-O 3.04Å; F498-I500 HydrophobicContact CB-CD1 4.32Å; F498-I516 CarbonylContact C-O 3.57Å; F498-I516 VanDerWaalsContact CA-O 3.29Å; F498-I516 WeakPolarHBondContact CA-O 3.43Å; F498-I516 HydrophobicContact CD1-CB 3.93Å; F498-I516 HydrophobicContact CD1-CG2 4.11Å; F498-I516 HydrophobicContact CE1-CB 4.23Å; F498-I516 HydrophobicContact CE1-CD1 4.15Å; F498-I516 HydrophobicContact CE1-CG2 4.34Å; F498-I518 HydrophobicContact CD1-CD1 4.39Å; F498-L531 HydrophobicContact CD1-CD2 3.91Å; F498-L531 HydrophobicContact CE1-CD1 3.67Å; F498-L531 HydrophobicContact CE1-CD2 3.61Å; F498-L531 HydrophobicContact CE1-CG 4.27Å; F498-L531 HydrophobicContact CE2-CD2 4.31Å; F498-L531 HydrophobicContact CG-CD2 4.37Å; F498-L531 HydrophobicContact CZ-CD1 4.06Å; F498-L531 HydrophobicContact CZ-CD2 3.82Å; F498-L531 HydrophobicContact CZ-CG 4.46Å; F498-V533 HydrophobicContact CE2-CG2 4.2Å; F498-V533 HydrophobicContact CZ-CG2 3.72Å; F498-I549 HydrophobicContact CE1-CD1 3.57Å; F498-I549 HydrophobicContact CE1-CG1 4.47Å; F498-I549 HydrophobicContact CZ-CD1 3.37Å; F498-I549 HydrophobicContact CZ-CG1 4.13Å
499C98.3Very high95.3Very high4 Ų411.4 Ų11.43%0.0276%0.059CC..EExtended strand (participates in β ladder)trans-116.3113.8168.7-890000109.4A431 P496 I516 F517 I518A431-C499 CarbonylContact O-C 3.57Å; A431-C499 WeakPolarHBondContact O-CA 3.33Å; P496-C499 WeakPolarHBondContact CG-SG 3.48Å; C499-I516 PolarHBondContact N-O 3.35Å; C499-F517 HydrophobicContact CB-CD1 3.23Å; C499-F517 HydrophobicContact CB-CD2 4.22Å; C499-F517 HydrophobicContact CB-CE1 3.27Å; C499-F517 HydrophobicContact CB-CE2 4.24Å; C499-F517 HydrophobicContact CB-CG 3.75Å; C499-F517 HydrophobicContact CB-CZ 3.81Å; C499-F517 CarbonylContact O-C 3.55Å; C499-F517 VanDerWaalsContact O-CA 3.22Å; C499-F517 WeakPolarHBondContact O-CA 3.42Å; C499-I518 PolarHBondContact O-N 2.82Å
500I98.8Very high95.2Very high0 Ų011.8 Ų11.80%06%0.061CC..EExtended strand (participates in β ladder)trans-98.3110.5177.6-44.5-54.2000108.4I308 L340 I342 A431 V432 T433 F498 P502 I518I308-I500 HydrophobicContact CD1-CD1 3.69Å; I308-I500 HydrophobicContact CD1-CG1 4.39Å; I308-I500 HydrophobicContact CG2-CG2 3.65Å; L340-I500 HydrophobicContact CD2-CG1 4.16Å; I342-I500 HydrophobicContact CD1-CB 4.26Å; I342-I500 HydrophobicContact CD1-CG2 3.43Å; I342-I500 VanDerWaalsContact CD1-CG2 3.43Å; A431-I500 PolarHBondContact O-N 2.81Å; V432-I500 HydrophobicContact CB-CB 4.48Å; V432-I500 HydrophobicContact CG1-CB 4.11Å; V432-I500 HydrophobicContact CG2-CB 4.2Å; V432-I500 HydrophobicContact CG2-CG1 4.03Å; T433-I500 PolarHBondContact N-O 2.77Å; T433-I500 VanDerWaalsContact N-O 3.15Å; F498-I500 HydrophobicContact CB-CD1 4.32Å; I500-P502 HydrophobicContact CG2-CG 4.49Å; I500-I518 HydrophobicContact CD1-CB 3.84Å; I500-I518 HydrophobicContact CD1-CD1 3.89Å; I500-I518 HydrophobicContact CD1-CG1 4.12Å
501T98.2Very high95.2Very high4 Ų414.4 Ų14.43%0.0257%0.073CC..  trans-129.276.5-173.255.60000109.8T433 L463 S503 F517 I518T433-T501 HydrophobicContact CG2-CG2 4.02Å; L463-T501 HydrophobicContact CD1-CG2 4.27Å; T501-S503 PolarHBondContact O-N 2.8Å; T501-F517 HydrophobicContact CG2-CD1 4.12Å; T501-F517 HydrophobicContact CG2-CE1 4.34Å; T501-I518 PolarHBondContact N-O 2.93Å
502P97.9Very high95.1Very high1 Ų112.7 Ų12.71%0.0067%0.066CC..  trans-57.9137.4176.2-2033.8000111.4A310 I342 T433 I500 N519 P520A310-P502 HydrophobicContact CB-CB 3.45Å; A310-P502 VanDerWaalsContact CB-CB 3.45Å; A310-P502 HydrophobicContact CB-CG 3.5Å; I342-P502 HydrophobicContact CD1-CG 3.85Å; I342-P502 HydrophobicContact CG2-CG 4.17Å; T433-P502 WeakPolarHBondContact O-CD 3.41Å; I500-P502 HydrophobicContact CG2-CG 4.49Å; P502-N519 WeakPolarHBondContact CA-OD1 3.39Å; P502-P520 HydrophobicContact CB-CG 4.42Å; P502-P520 HydrophobicContact CG-CG 4.22Å
503S95.2Very high94.9Very high1 Ų116.1 Ų16.11%0.0078%0.082CC..  trans-145.6151.6-177.4-177.50000110.8D436 T501 C505 N519D436-S503 VanDerWaalsContact OD1-CA 3.25Å; D436-S503 WeakPolarHBondContact OD1-CA 3.41Å; D436-S503 WeakPolarHBondContact OD1-CB 3.24Å; D436-S503 PolarHBondContact OD1-OG 3.14Å; T501-S503 PolarHBondContact O-N 2.8Å; S503-C505 PolarHBondContact O-N 3.05Å; S503-C505 WeakPolarHBondContact OG-CB 3.42Å; S503-C505 PolarHBondContact OG-N 3Å; S503-C505 PolarHBondContact OG-SG 3.07Å; S503-N519 PolarHBondContact N-OD1 3.22Å; S503-N519 PolarHBondContact O-ND2 3.08Å; S503-N519 PolarHBondContact O-OD1 3.33Å
504D89.1Confident94.7Very high40 Ų4020.6 Ų20.621%0.21410%0.104CC..SBendtrans-73-10.3166.7-66.5-17.6000111.6E46 K349 D436 R522E46-D504 VanDerWaalsContact CG-O 3.29Å; E46-D504 WeakPolarHBondContact CG-O 3.44Å; K349-D504 IonicContact NZ-OD2 3.6Å; K349-D504 PolarHBondContact NZ-OD2 3.29Å; D436-D504 PolarHBondContact OD2-N 3.36Å; D504-R522 IonicContact OD1-CZ 3.6Å; D504-R522 IonicContact OD1-NE 3.83Å; D504-R522 PolarHBondContact OD1-NE 2.93Å; D504-R522 IonicContact OD1-NH2 3.86Å; D504-R522 PolarHBondContact OD1-NH2 3Å
505C88.8Confident94.6Very high8 Ų820 Ų205%0.05410%0.101CC..SBendtrans-64164.6165.3-62.10000111L19 M456 S503 F507 N519L19-C505 HydrophobicContact CD2-CB 4.04Å; M456-C505 HydrophobicContact CE-CB 4.28Å; S503-C505 PolarHBondContact O-N 3.05Å; S503-C505 WeakPolarHBondContact OG-CB 3.42Å; S503-C505 PolarHBondContact OG-N 3Å; S503-C505 PolarHBondContact OG-SG 3.07Å; C505-F507 PolarHBondContact O-N 3.45Å; C505-N519 PolarHBondContact O-ND2 3.07Å
506Q86.9Confident94.6Very high1 Ų119.2 Ų19.21%0.00510%0.097CC..PPolyproline II helixtrans-48.5136.9172.6155.268.4148.700111.7F20 S50 I53 F508 N519F20-Q506 HydrophobicContact CD2-CB 4.28Å; F20-Q506 HydrophobicContact CD2-CG 4.36Å; F20-Q506 HydrophobicContact CE1-CG 4.22Å; F20-Q506 HydrophobicContact CE2-CB 3.51Å; F20-Q506 HydrophobicContact CE2-CG 3.91Å; F20-Q506 HydrophobicContact CZ-CB 3.63Å; F20-Q506 HydrophobicContact CZ-CG 3.81Å; F20-Q506 WeakPolarHBondContact CZ-O 3.44Å; S50-Q506 VanDerWaalsContact C-OE1 3.32Å; S50-Q506 VanDerWaalsContact CA-OE1 3.31Å; S50-Q506 PolarHBondContact O-OE1 3.46Å; S50-Q506 WeakPolarHBondContact OG-CA 3.27Å; S50-Q506 VanDerWaalsContact OG-CB 3.3Å; S50-Q506 WeakPolarHBondContact OG-CB 3.48Å; S50-Q506 PolarHBondContact OG-NE2 3.4Å; I53-Q506 HydrophobicContact CB-CG 4.43Å; I53-Q506 HydrophobicContact CD1-CG 4.16Å; I53-Q506 HydrophobicContact CG2-CG 4.4Å; Q506-F508 VanDerWaalsContact O-CD1 3.3Å; Q506-F508 WeakPolarHBondContact O-CD1 3.36Å; Q506-N519 PolarHBondContact O-ND2 2.89Å; Q506-N519 VanDerWaalsContact O-ND2 3.1Å
507F93.3Very high94.7Very high8 Ų819.1 Ų19.14%0.03510%0.096CC..PPolyproline II helixtrans-61.6147.9176.954.8-108.1000111.1A54 L138 L139 C505 N519 I527 I553A54-F507 HydrophobicContact CB-CE2 3.66Å; A54-F507 HydrophobicContact CB-CZ 3.74Å; L138-F507 HydrophobicContact CB-CE1 4.4Å; L138-F507 HydrophobicContact CB-CE2 3.8Å; L138-F507 HydrophobicContact CB-CZ 3.61Å; L138-F507 HydrophobicContact CD1-CD1 4.31Å; L138-F507 HydrophobicContact CD1-CE1 3.54Å; L138-F507 HydrophobicContact CD1-CE2 4.39Å; L138-F507 HydrophobicContact CD1-CZ 3.6Å; L138-F507 HydrophobicContact CG-CZ 4.2Å; L139-F507 HydrophobicContact CB-CD2 4.25Å; L139-F507 HydrophobicContact CB-CE2 4.06Å; L139-F507 HydrophobicContact CD1-CD2 4.34Å; C505-F507 PolarHBondContact O-N 3.45Å; F507-N519 WeakPolarHBondContact CA-O 3.4Å; F507-N519 WeakPolarHBondContact CB-O 3.42Å; F507-I527 HydrophobicContact CD1-CD1 4.22Å; F507-I527 HydrophobicContact CE1-CD1 4.25Å; F507-I553 HydrophobicContact CB-CD1 3.67Å; F507-I553 HydrophobicContact CB-CG2 4.18Å; F507-I553 HydrophobicContact CD1-CG2 4.43Å; F507-I553 HydrophobicContact CD2-CB 4.29Å; F507-I553 HydrophobicContact CD2-CD1 3.82Å; F507-I553 HydrophobicContact CD2-CG2 3.97Å; F507-I553 HydrophobicContact CG-CD1 4.07Å; F507-I553 HydrophobicContact CG-CG2 3.92Å
508F95.4Very high94.9Very high4 Ų418.4 Ų18.42%0.0189%0.092CC..EExtended strand (participates in β ladder)trans-155.8156.8-177.858.9-102.4000111.7F20 V438 M456 L460 Q506 K510 F517 N519F20-F508 HydrophobicContact CE1-CB 4.1Å; F20-F508 AromaticContact CE1-CD1 3.79Å; F20-F508 HydrophobicContact CE1-CD1 3.79Å; F20-F508 HydrophobicContact CE1-CG 4.31Å; F20-F508 HydrophobicContact CZ-CD1 4.1Å; V438-F508 HydrophobicContact CG1-CE1 4.33Å; V438-F508 HydrophobicContact CG2-CZ 4.37Å; M456-F508 HydrophobicContact CE-CD1 4.19Å; M456-F508 HydrophobicContact CE-CE1 3.87Å; M456-F508 HydrophobicContact CG-CD1 4.36Å; M456-F508 HydrophobicContact CG-CE1 4.31Å; M456-F508 HydrophobicContact SD-CD1 4.28Å; M456-F508 HydrophobicContact SD-CE1 3.72Å; M456-F508 HydrophobicContact SD-CZ 4.12Å; L460-F508 HydrophobicContact CD1-CD2 4.42Å; L460-F508 HydrophobicContact CD1-CE2 3.83Å; L460-F508 HydrophobicContact CD1-CZ 4.24Å; L460-F508 HydrophobicContact CD2-CE2 4.13Å; L460-F508 HydrophobicContact CD2-CZ 3.91Å; Q506-F508 VanDerWaalsContact O-CD1 3.3Å; Q506-F508 WeakPolarHBondContact O-CD1 3.36Å; F508-K510 HydrophobicContact CB-CD 4.39Å; F508-K510 HydrophobicContact CB-CG 4.39Å; F508-K510 HydrophobicContact CD2-CB 4.33Å; F508-K510 HydrophobicContact CD2-CD 4.26Å; F508-K510 HydrophobicContact CD2-CG 4.29Å; F508-K510 HydrophobicContact CG-CD 4.39Å; F508-F517 HydrophobicContact CE2-CB 4Å; F508-N519 HydrophobicContact CD1-CB 3.66Å; F508-N519 HydrophobicContact CD2-CB 4.19Å; F508-N519 HydrophobicContact CE1-CB 3.41Å; F508-N519 VanDerWaalsContact CE1-CB 3.41Å; F508-N519 HydrophobicContact CE2-CB 3.96Å; F508-N519 HydrophobicContact CG-CB 4.04Å; F508-N519 HydrophobicContact CZ-CB 3.57Å; F508-N519 PolarHBondContact N-O 3.36Å; F508-N519 PolarHBondContact O-N 3.28Å
509I96.5Very high94.9Very high6 Ų618.4 Ų18.43%0.0319%0.092CC..EExtended strand (participates in β ladder)trans-128.2115.2162-54.5171.1000106.4L139 F141 I516 F517 I518 A551 I553L139-I509 HydrophobicContact CD2-CB 3.9Å; L139-I509 HydrophobicContact CD2-CD1 3.66Å; L139-I509 HydrophobicContact CD2-CG1 3.7Å; F141-I509 HydrophobicContact CB-CB 3.76Å; F141-I509 HydrophobicContact CB-CD1 3.89Å; F141-I509 HydrophobicContact CB-CG1 4.43Å; F141-I509 HydrophobicContact CB-CG2 3.51Å; F141-I509 HydrophobicContact CD1-CG2 3.78Å; F141-I509 HydrophobicContact CD2-CB 4.18Å; F141-I509 HydrophobicContact CD2-CG2 3.64Å; F141-I509 HydrophobicContact CE1-CG2 4.4Å; F141-I509 HydrophobicContact CE2-CG2 4.27Å; F141-I509 HydrophobicContact CG-CB 4.05Å; F141-I509 HydrophobicContact CG-CG2 3.35Å; I509-I516 HydrophobicContact CG2-CG2 3.88Å; I509-F517 VanDerWaalsContact CA-O 3.32Å; I509-F517 WeakPolarHBondContact CA-O 3.49Å; I509-I518 HydrophobicContact CG1-CG1 4.48Å; I509-I518 HydrophobicContact CG1-CG2 4.41Å; I509-I518 HydrophobicContact CG2-CG1 4.25Å; I509-A551 HydrophobicContact CD1-CB 3.67Å; I509-I553 HydrophobicContact CD1-CD1 4.38Å; I509-I553 HydrophobicContact CD1-CG1 3.86Å; I509-I553 HydrophobicContact CG1-CD1 3.98Å; I509-I553 HydrophobicContact CG1-CG1 4.02Å
510K95.2Very high94.9Very high44 Ų4418.2 Ų18.219%0.1919%0.091CC..EExtended strand (participates in β ladder)trans-135140.8-173-78.3177.1164.8-75.30110.6M456 D457 L460 F508 I516 F517M456-K510 HydrophobicContact CG-CD 3.93Å; D457-K510 WeakPolarHBondContact OD1-CD 3.3Å; D457-K510 VanDerWaalsContact OD1-CE 3.28Å; D457-K510 WeakPolarHBondContact OD1-CE 3.45Å; D457-K510 IonicContact OD1-NZ 2.9Å; D457-K510 PolarHBondContact OD1-NZ 2.97Å; D457-K510 IonicContact OD2-NZ 3.02Å; L460-K510 HydrophobicContact CD1-CB 4.12Å; L460-K510 HydrophobicContact CD1-CD 4.11Å; F508-K510 HydrophobicContact CB-CD 4.39Å; F508-K510 HydrophobicContact CB-CG 4.39Å; F508-K510 HydrophobicContact CD2-CB 4.33Å; F508-K510 HydrophobicContact CD2-CD 4.26Å; F508-K510 HydrophobicContact CD2-CG 4.29Å; F508-K510 HydrophobicContact CG-CD 4.39Å; K510-I516 CarbonylContact O-C 3.12Å; K510-I516 WeakPolarHBondContact O-CA 3.42Å; K510-F517 PolarHBondContact N-O 2.73Å; K510-F517 PolarHBondContact O-N 2.79Å
511E94.9Very high94.6Very high55 Ų5518.5 Ų18.526%0.2579%0.094SC..EExtended strand (participates in β ladder)trans-100.7122.6174178-175.9-151.600109.4F141 C515 K546F141-E511 HydrophobicContact CE2-CB 4.44Å; F141-E511 HydrophobicContact CZ-CB 4.28Å; E511-C515 WeakPolarHBondContact CA-O 3.49Å; E511-K546 WeakPolarHBondContact OE2-CD 3.37Å; E511-K546 WeakPolarHBondContact OE2-CE 3.29Å; E511-K546 IonicContact OE2-NZ 3.25Å; E511-K546 PolarHBondContact OE2-NZ 3.39Å
512I95.4Very high94.4Very high12 Ų1219.6 Ų19.66%0.06210%0.098CC..EExtended strand (participates in β ladder)trans-131112.2-179.2-53.5-66.9000107.4D457 L460 K461 L464 N514 C515 F517D457-I512 HydrophobicContact CB-CD1 3.73Å; L460-I512 HydrophobicContact CB-CG1 3.94Å; L460-I512 HydrophobicContact CD1-CG1 4.03Å; K461-I512 HydrophobicContact CB-CG2 4.05Å; L464-I512 HydrophobicContact CD1-CG2 4.09Å; I512-N514 PolarHBondContact O-N 3.35Å; I512-C515 PolarHBondContact N-O 3.32Å; I512-C515 WeakPolarHBondContact O-CB 3.45Å; I512-C515 PolarHBondContact O-N 3.33Å; I512-F517 HydrophobicContact CB-CD2 4Å; I512-F517 HydrophobicContact CB-CE2 3.92Å; I512-F517 HydrophobicContact CG1-CD2 4Å; I512-F517 HydrophobicContact CG1-CE2 4.32Å
513H92.2Very high94.2Very high75 Ų7519.5 Ų19.535%0.34710%0.097SC..THydrogen-bonded Turntrans48.953.8-175.4-54.786.3000113L289 L464 L495 C515L289-H513 HydrophobicContact CD1-CB 4.28Å; L289-H513 WeakPolarHBondContact CD1-CD2 3.48Å; L289-H513 HydrophobicContact CD2-CB 4.35Å; L464-H513 HydrophobicContact CD1-CB 4.24Å; L495-H513 WeakPolarHBondContact CD2-O 3.43Å; H513-C515 PolarHBondContact O-N 3.09Å
514N90.9Very high93.8Very high121 Ų12121.3 Ų21.365%0.64711%0.112SC*.THydrogen-bonded Turntrans60.311.2-178.2-54.8-19.1000115.6I512I512-N514 PolarHBondContact O-N 3.35Å
515C95.2Very high93.8Very high0 Ų023 Ų230%012%0.117CC..EExtended strand (participates in β ladder)trans-104127.6169.5171.50000109.3L464 L495 P496 E511 I512 H513 F517L464-C515 HydrophobicContact CD1-CB 4.37Å; L495-C515 HydrophobicContact CD1-CB 3.74Å; L495-C515 HydrophobicContact CG-CB 4.41Å; P496-C515 WeakPolarHBondContact O-CB 3.34Å; P496-C515 PolarHBondContact O-SG 3.1Å; E511-C515 WeakPolarHBondContact CA-O 3.49Å; I512-C515 PolarHBondContact N-O 3.32Å; I512-C515 WeakPolarHBondContact O-CB 3.45Å; I512-C515 PolarHBondContact O-N 3.33Å; H513-C515 PolarHBondContact O-N 3.09Å; C515-F517 HydrophobicContact CB-CE2 4.08Å; C515-F517 VanDerWaalsContact SG-CE2 3.5Å
516I96.5Very high94Very high2 Ų225.1 Ų25.11%0.0112%0.124CC..EExtended strand (participates in β ladder)trans-92.8109179.6-65.5163.8000109.2F141 N497 F498 C499 I509 K510 I518 I549F141-I516 HydrophobicContact CE1-CD1 3.99Å; F141-I516 HydrophobicContact CE1-CG1 4.32Å; F141-I516 HydrophobicContact CE1-CG2 4.38Å; F141-I516 HydrophobicContact CZ-CD1 4.34Å; F141-I516 HydrophobicContact CZ-CG1 4.26Å; N497-I516 PolarHBondContact O-N 2.88Å; F498-I516 CarbonylContact C-O 3.57Å; F498-I516 VanDerWaalsContact CA-O 3.29Å; F498-I516 WeakPolarHBondContact CA-O 3.43Å; F498-I516 HydrophobicContact CD1-CB 3.93Å; F498-I516 HydrophobicContact CD1-CG2 4.11Å; F498-I516 HydrophobicContact CE1-CB 4.23Å; F498-I516 HydrophobicContact CE1-CD1 4.15Å; F498-I516 HydrophobicContact CE1-CG2 4.34Å; C499-I516 PolarHBondContact N-O 3.35Å; I509-I516 HydrophobicContact CG2-CG2 3.88Å; K510-I516 CarbonylContact O-C 3.12Å; K510-I516 WeakPolarHBondContact O-CA 3.42Å; I516-I518 HydrophobicContact CG2-CD1 4.5Å; I516-I518 HydrophobicContact CG2-CG1 4.17Å; I516-I549 HydrophobicContact CD1-CD1 3.2Å; I516-I549 HydrophobicContact CD1-CG1 4.44Å; I516-I549 HydrophobicContact CD1-CG2 4.45Å
517F98.3Very high94.3Very high0 Ų025.4 Ų25.40%013%0.126CC..EExtended strand (participates in β ladder)trans-85.5135.6173.9-74.5-97.8000111.3L460 L463 L464 C499 T501 F508 I509 K510 I512 C515L460-F517 HydrophobicContact CB-CD1 4.34Å; L460-F517 HydrophobicContact CB-CD2 4.32Å; L460-F517 HydrophobicContact CB-CE1 4.31Å; L460-F517 HydrophobicContact CB-CE2 4.31Å; L460-F517 HydrophobicContact CB-CG 4.33Å; L460-F517 HydrophobicContact CB-CZ 4.29Å; L460-F517 HydrophobicContact CD1-CB 3.89Å; L460-F517 HydrophobicContact CD1-CD1 4.46Å; L460-F517 HydrophobicContact CD1-CD2 4.42Å; L460-F517 HydrophobicContact CD1-CG 4.02Å; L460-F517 HydrophobicContact CD2-CB 4.34Å; L460-F517 HydrophobicContact CD2-CD1 3.62Å; L460-F517 HydrophobicContact CD2-CE1 4.06Å; L460-F517 HydrophobicContact CD2-CG 4.04Å; L460-F517 HydrophobicContact CG-CD1 4.33Å; L460-F517 HydrophobicContact CG-CG 4.34Å; L463-F517 HydrophobicContact CD1-CE1 4.07Å; L464-F517 HydrophobicContact CD1-CE2 4.03Å; L464-F517 HydrophobicContact CD1-CZ 4.29Å; L464-F517 HydrophobicContact CD2-CE2 4.22Å; L464-F517 HydrophobicContact CD2-CZ 3.8Å; L464-F517 HydrophobicContact CG-CE2 4.16Å; L464-F517 HydrophobicContact CG-CZ 3.9Å; C499-F517 HydrophobicContact CB-CD1 3.23Å; C499-F517 HydrophobicContact CB-CD2 4.22Å; C499-F517 HydrophobicContact CB-CE1 3.27Å; C499-F517 HydrophobicContact CB-CE2 4.24Å; C499-F517 HydrophobicContact CB-CG 3.75Å; C499-F517 HydrophobicContact CB-CZ 3.81Å; C499-F517 CarbonylContact O-C 3.55Å; C499-F517 VanDerWaalsContact O-CA 3.22Å; C499-F517 WeakPolarHBondContact O-CA 3.42Å; T501-F517 HydrophobicContact CG2-CD1 4.12Å; T501-F517 HydrophobicContact CG2-CE1 4.34Å; F508-F517 HydrophobicContact CE2-CB 4Å; I509-F517 VanDerWaalsContact CA-O 3.32Å; I509-F517 WeakPolarHBondContact CA-O 3.49Å; K510-F517 PolarHBondContact N-O 2.73Å; K510-F517 PolarHBondContact O-N 2.79Å; I512-F517 HydrophobicContact CB-CD2 4Å; I512-F517 HydrophobicContact CB-CE2 3.92Å; I512-F517 HydrophobicContact CG1-CD2 4Å; I512-F517 HydrophobicContact CG1-CE2 4.32Å; C515-F517 HydrophobicContact CB-CE2 4.08Å; C515-F517 VanDerWaalsContact SG-CE2 3.5Å
518I98.6Very high94.5Very high1 Ų125 Ų251%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-130117.7178.7-55.1178.1000108.9I308 F498 C499 I500 T501 I509 I516 P520 L531I308-I518 HydrophobicContact CD1-CD1 4.07Å; F498-I518 HydrophobicContact CD1-CD1 4.39Å; C499-I518 PolarHBondContact O-N 2.82Å; I500-I518 HydrophobicContact CD1-CB 3.84Å; I500-I518 HydrophobicContact CD1-CD1 3.89Å; I500-I518 HydrophobicContact CD1-CG1 4.12Å; T501-I518 PolarHBondContact N-O 2.93Å; I509-I518 HydrophobicContact CG1-CG1 4.48Å; I509-I518 HydrophobicContact CG1-CG2 4.41Å; I509-I518 HydrophobicContact CG2-CG1 4.25Å; I516-I518 HydrophobicContact CG2-CD1 4.5Å; I516-I518 HydrophobicContact CG2-CG1 4.17Å; I518-P520 WeakPolarHBondContact O-CD 3.04Å; I518-L531 HydrophobicContact CD1-CD2 4.45Å
519N98.1Very high94.6Very high0 Ų024.9 Ų24.90%012%0.124CC..EExtended strand (participates in β ladder)trans-98.2105.2158.8173.614000107.8P502 S503 C505 Q506 F507 F508 G521 I553P502-N519 WeakPolarHBondContact CA-OD1 3.39Å; S503-N519 PolarHBondContact N-OD1 3.22Å; S503-N519 PolarHBondContact O-ND2 3.08Å; S503-N519 PolarHBondContact O-OD1 3.33Å; C505-N519 PolarHBondContact O-ND2 3.07Å; Q506-N519 PolarHBondContact O-ND2 2.89Å; Q506-N519 VanDerWaalsContact O-ND2 3.1Å; F507-N519 WeakPolarHBondContact CA-O 3.4Å; F507-N519 WeakPolarHBondContact CB-O 3.42Å; F508-N519 HydrophobicContact CD1-CB 3.66Å; F508-N519 HydrophobicContact CD2-CB 4.19Å; F508-N519 HydrophobicContact CE1-CB 3.41Å; F508-N519 VanDerWaalsContact CE1-CB 3.41Å; F508-N519 HydrophobicContact CE2-CB 3.96Å; F508-N519 HydrophobicContact CG-CB 4.04Å; F508-N519 HydrophobicContact CZ-CB 3.57Å; F508-N519 PolarHBondContact N-O 3.36Å; F508-N519 PolarHBondContact O-N 3.28Å; N519-G521 PolarHBondContact O-N 3.19Å; N519-G521 PolarHBondContact OD1-N 2.95Å; N519-G521 VanDerWaalsContact OD1-N 3.1Å; N519-I553 VanDerWaalsContact O-CD1 3.32Å; N519-I553 WeakPolarHBondContact O-CD1 3.47Å
520P97Very high94.6Very high0 Ų025.5 Ų25.50%013%0.125CC..  trans-74.8-1.7-175.832.8-38.1000114.2I308 A310 P502 I518 I527 S529I308-P520 HydrophobicContact CG2-CB 4.17Å; I308-P520 HydrophobicContact CG2-CG 4.11Å; A310-P520 HydrophobicContact CB-CG 3.98Å; P502-P520 HydrophobicContact CB-CG 4.42Å; P502-P520 HydrophobicContact CG-CG 4.22Å; I518-P520 WeakPolarHBondContact O-CD 3.04Å; P520-I527 WeakPolarHBondContact O-CG2 3.45Å; P520-S529 VanDerWaalsContact CA-OG 3.23Å; P520-S529 WeakPolarHBondContact CA-OG 3.49Å; P520-S529 WeakPolarHBondContact CB-OG 3.5Å
521G93.2Very high94.6Very high6 Ų623.4 Ų23.46%0.06212%0.117CC..  trans69.8-162.2-167.400000112N519N519-G521 PolarHBondContact O-N 3.19Å; N519-G521 PolarHBondContact OD1-N 2.95Å; N519-G521 VanDerWaalsContact OD1-N 3.1Å
522R93.2Very high94.5Very high26 Ų2620.8 Ų20.810%0.09810%0.104CC..  trans-112.9128-172.2-60.5-67.2-173.5-169-2.7111.7G311 D436 D504 A524 K525 I527G311-R522 WeakPolarHBondContact O-CD 3.46Å; G311-R522 PolarHBondContact O-NH1 3.2Å; D436-R522 IonicContact OD2-NH2 3.82Å; D504-R522 IonicContact OD1-CZ 3.6Å; D504-R522 IonicContact OD1-NE 3.83Å; D504-R522 PolarHBondContact OD1-NE 2.93Å; D504-R522 IonicContact OD1-NH2 3.86Å; D504-R522 PolarHBondContact OD1-NH2 3Å; R522-A524 PolarHBondContact O-N 3.03Å; R522-K525 HydrophobicContact CB-CG 4.46Å; R522-K525 WeakPolarHBondContact O-CA 3.25Å; R522-K525 WeakPolarHBondContact O-CB 3.01Å; R522-K525 PolarHBondContact O-N 2.98Å; R522-I527 PolarHBondContact O-N 3.18Å
523S93.7Very high94.2Very high0 Ų020.3 Ų20.30%010%0.102CC..G310 helixtrans-65.3-23.5176.2-66.20000113.4A309 A310 S312 K525 R526 I527A309-S523 WeakPolarHBondContact CB-OG 3.45Å; A310-S523 WeakPolarHBondContact O-CB 3.28Å; A310-S523 PolarHBondContact O-N 3.44Å; A310-S523 PolarHBondContact O-OG 3.34Å; S312-S523 CarbonylContact O-C 3.58Å; S523-K525 PolarHBondContact O-N 3.32Å; S523-R526 WeakPolarHBondContact O-CA 3.49Å; S523-R526 WeakPolarHBondContact O-CD 3.28Å; S523-R526 PolarHBondContact O-N 3.09Å; S523-I527 WeakPolarHBondContact CA-O 3.44Å; S523-I527 PolarHBondContact OG-O 2.93Å
524A87.7Confident94Very high38 Ų3818.7 Ų18.731%0.31410%0.096SC..G310 helixtrans-59.8-32.5169.100000112.5S312 R522 R526S312-A524 WeakPolarHBondContact O-CB 3.48Å; S312-A524 PolarHBondContact O-N 2.88Å; R522-A524 PolarHBondContact O-N 3.03Å; A524-R526 PolarHBondContact O-N 2.87Å
525K88.6Confident93.4Very high75 Ų7513.4 Ų13.433%0.3267%0.067SC..G310 helixtrans-86.79.3172.6-60.8-174.3-178.7-176.80112.7E46 E47 R522 S523 I527E46-K525 IonicContact OE1-NZ 2.61Å; E46-K525 PolarHBondContact OE1-NZ 2.72Å; E46-K525 IonicContact OE2-NZ 2.74Å; E47-K525 IonicContact OE1-NZ 3.07Å; R522-K525 HydrophobicContact CB-CG 4.46Å; R522-K525 WeakPolarHBondContact O-CA 3.25Å; R522-K525 WeakPolarHBondContact O-CB 3.01Å; R522-K525 PolarHBondContact O-N 2.98Å; S523-K525 PolarHBondContact O-N 3.32Å; K525-I527 VanDerWaalsContact C-N 3.35Å; K525-I527 HydrophobicContact CB-CD1 4.14Å; K525-I527 HydrophobicContact CB-CG1 4.19Å
526R93.2Very high92.1Very high54 Ų5417.6 Ų17.620%0.2049%0.09CC..THydrogen-bonded Turntrans56.444.8-174.7-45.3-43-160.790.5-3.5113.2D326 S523 A524 R555 F556D326-R526 VanDerWaalsContact CG-NH1 3.28Å; D326-R526 IonicContact OD2-CZ 2.66Å; D326-R526 IonicContact OD2-NH1 3.12Å; D326-R526 PolarHBondContact OD2-NH1 2.97Å; D326-R526 IonicContact OD2-NH2 3.96Å; D326-R526 PolarHBondContact OD2-NH2 3.43Å; S523-R526 WeakPolarHBondContact O-CA 3.49Å; S523-R526 WeakPolarHBondContact O-CD 3.28Å; S523-R526 PolarHBondContact O-N 3.09Å; A524-R526 PolarHBondContact O-N 2.87Å; R526-R555 CarbonylContact O-C 3.53Å; R526-R555 WeakPolarHBondContact O-CA 3.32Å; R526-F556 VanDerWaalsContact C-CD1 3.45Å; R526-F556 HydrophobicContact CB-CD1 4.2Å; R526-F556 HydrophobicContact CB-CD2 4.18Å; R526-F556 HydrophobicContact CB-CE1 4.18Å; R526-F556 HydrophobicContact CB-CE2 4.15Å; R526-F556 HydrophobicContact CB-CG 4.22Å; R526-F556 HydrophobicContact CB-CZ 4.16Å; R526-F556 WeakPolarHBondContact CB-O 3.35Å; R526-F556 WeakPolarHBondContact O-CD1 3.39Å; R526-F556 WeakPolarHBondContact O-CE1 3.13Å; R526-F556 PolarHBondContact O-N 3.07Å
527I94.4Very high90.2Very high7 Ų729.1 Ų29.14%0.03613%0.133CC..EExtended strand (participates in β ladder)trans-116.4140.4176.4-51.6178.2000108.8L138 F507 P520 R522 S523 K525 I553 V554 R555L138-I527 HydrophobicContact CD1-CD1 3.95Å; L138-I527 HydrophobicContact CD1-CG1 4.25Å; L138-I527 HydrophobicContact CD1-CG2 4.15Å; F507-I527 HydrophobicContact CD1-CD1 4.22Å; F507-I527 HydrophobicContact CE1-CD1 4.25Å; P520-I527 WeakPolarHBondContact O-CG2 3.45Å; R522-I527 PolarHBondContact O-N 3.18Å; S523-I527 WeakPolarHBondContact CA-O 3.44Å; S523-I527 PolarHBondContact OG-O 2.93Å; K525-I527 VanDerWaalsContact C-N 3.35Å; K525-I527 HydrophobicContact CB-CD1 4.14Å; K525-I527 HydrophobicContact CB-CG1 4.19Å; I527-I553 HydrophobicContact CG2-CG2 3.48Å; I527-I553 VanDerWaalsContact CG2-CG2 3.48Å; I527-V554 WeakPolarHBondContact CA-O 3.32Å; I527-R555 HydrophobicContact CG1-CB 4.45Å
528Y97.1Very high88.5Confident0 Ų036.8 Ų36.80%017%0.169CC..EExtended strand (participates in β ladder)trans-145.8171.6170.680.4-71.3000109.9E135 F307 L327 R530 V554 F556E135-Y528 PolarHBondContact OE1-OH 2.82Å; F307-Y528 HydrophobicContact CB-CD2 4.42Å; F307-Y528 HydrophobicContact CB-CE2 4.5Å; F307-Y528 HydrophobicContact CD1-CE2 4.1Å; F307-Y528 HydrophobicContact CD2-CD2 4.12Å; F307-Y528 AromaticContact CD2-CE2 3.57Å; F307-Y528 HydrophobicContact CD2-CE2 3.57Å; F307-Y528 HydrophobicContact CE1-CE2 4.16Å; F307-Y528 AromaticContact CE2-CE2 3.64Å; F307-Y528 HydrophobicContact CE2-CE2 3.64Å; F307-Y528 HydrophobicContact CG-CD2 4.2Å; F307-Y528 AromaticContact CG-CE2 3.81Å; F307-Y528 HydrophobicContact CG-CE2 3.81Å; F307-Y528 AromaticContact CZ-CE2 3.93Å; F307-Y528 HydrophobicContact CZ-CE2 3.93Å; L327-Y528 HydrophobicContact CD1-CD1 4.35Å; L327-Y528 HydrophobicContact CD1-CD2 4.22Å; L327-Y528 HydrophobicContact CD1-CG 3.93Å; Y528-R530 HydrophobicContact CE2-CB 4.08Å; Y528-V554 HydrophobicContact CD1-CB 4.03Å; Y528-V554 HydrophobicContact CD1-CG1 4.46Å; Y528-V554 HydrophobicContact CE1-CB 3.59Å; Y528-V554 HydrophobicContact CE1-CG1 3.71Å; Y528-V554 HydrophobicContact CE1-CG2 4.46Å; Y528-V554 PolarHBondContact N-O 2.84Å; Y528-V554 PolarHBondContact O-N 3.16Å; Y528-F556 AromaticContact CD1-CD1 3.47Å; Y528-F556 HydrophobicContact CD1-CD1 3.47Å; Y528-F556 VanDerWaalsContact CD1-CD1 3.47Å; Y528-F556 AromaticContact CD1-CE1 3.78Å; Y528-F556 HydrophobicContact CD1-CE1 3.78Å; Y528-F556 HydrophobicContact CD1-CG 4.46Å; Y528-F556 AromaticContact CE1-CD1 3.99Å; Y528-F556 HydrophobicContact CE1-CD1 3.99Å; Y528-F556 HydrophobicContact CG-CD1 4.48Å; Y528-F556 HydrophobicContact CG-CE1 4.39Å
529S97.7Very high87Confident1 Ų137.8 Ų37.81%0.00717%0.173CC..EExtended strand (participates in β ladder)trans-115.4148.2170.5-62.10000111.8F307 I308 P520 E552F307-S529 CarbonylContact C-O 3.6Å; F307-S529 WeakPolarHBondContact CA-O 3.35Å; I308-S529 PolarHBondContact N-O 3.38Å; I308-S529 PolarHBondContact O-N 2.69Å; P520-S529 VanDerWaalsContact CA-OG 3.23Å; P520-S529 WeakPolarHBondContact CA-OG 3.49Å; P520-S529 WeakPolarHBondContact CB-OG 3.5Å; S529-E552 CarbonylContact C-O 3.43Å; S529-E552 WeakPolarHBondContact CA-O 3.3Å
530R95.6Very high85.4Confident18 Ų1841 Ų417%0.06820%0.196CC..EExtended strand (participates in β ladder)trans-122.5134.2169.958.5-171.9-170.2-169.91.1109.3E135 W149 V306 F307 Y528 A551 E552 V554E135-R530 IonicContact OE1-NH1 2.62Å; E135-R530 IonicContact OE2-NH1 2.79Å; W149-R530 VanDerWaalsContact CD2-CD 3.47Å; W149-R530 HydrophobicContact CD2-CG 4.24Å; W149-R530 HydrophobicContact CE3-CB 3.94Å; W149-R530 VanDerWaalsContact CE3-CD 3.42Å; W149-R530 HydrophobicContact CE3-CG 3.85Å; W149-R530 HydrophobicContact CH2-CB 3.92Å; W149-R530 HydrophobicContact CH2-CG 3.46Å; W149-R530 VanDerWaalsContact CH2-CG 3.46Å; W149-R530 HydrophobicContact CZ2-CG 3.82Å; W149-R530 HydrophobicContact CZ3-CB 3.46Å; W149-R530 VanDerWaalsContact CZ3-CB 3.46Å; W149-R530 HydrophobicContact CZ3-CG 3.46Å; W149-R530 VanDerWaalsContact CZ3-CG 3.46Å; W149-R530 VanDerWaalsContact NE1-CZ 3.28Å; W149-R530 VanDerWaalsContact NE1-NH2 3.19Å; V306-R530 CarbonylContact O-C 3.53Å; V306-R530 WeakPolarHBondContact O-CA 3.49Å; F307-R530 HydrophobicContact CD1-CB 3.74Å; F307-R530 HydrophobicContact CE1-CB 3.61Å; F307-R530 HydrophobicContact CZ-CB 4.5Å; Y528-R530 HydrophobicContact CE2-CB 4.08Å; R530-A551 CarbonylContact O-C 3.59Å; R530-A551 VanDerWaalsContact O-CA 3.25Å; R530-A551 WeakPolarHBondContact O-CA 3.28Å; R530-E552 HydrophobicContact CG-CB 3.91Å; R530-E552 IonicContact CZ-OE2 2.62Å; R530-E552 PolarHBondContact N-O 2.81Å; R530-E552 IonicContact NE-OE2 3.11Å; R530-E552 PolarHBondContact NE-OE2 3.33Å; R530-E552 IonicContact NH2-OE2 3.82Å; R530-E552 PolarHBondContact NH2-OE2 3.25Å; R530-E552 PolarHBondContact O-N 2.99Å; R530-V554 HydrophobicContact CG-CG2 4.16Å
531L95.5Very high83.7Confident1 Ų146.8 Ų46.81%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-128.9124.8-174.6166.567.6000108.4S305 V306 I308 F430 F498 I518 V533 I549 A551S305-L531 CarbonylContact C-O 3.53Å; S305-L531 WeakPolarHBondContact CA-O 3.49Å; V306-L531 HydrophobicContact CB-CB 4.28Å; V306-L531 HydrophobicContact CB-CD2 4.41Å; V306-L531 PolarHBondContact N-O 2.81Å; V306-L531 PolarHBondContact O-N 3.33Å; I308-L531 HydrophobicContact CD1-CD2 4.46Å; F430-L531 HydrophobicContact CE1-CD2 3.79Å; F430-L531 HydrophobicContact CZ-CD2 4.06Å; F498-L531 HydrophobicContact CD1-CD2 3.91Å; F498-L531 HydrophobicContact CE1-CD1 3.67Å; F498-L531 HydrophobicContact CE1-CD2 3.61Å; F498-L531 HydrophobicContact CE1-CG 4.27Å; F498-L531 HydrophobicContact CE2-CD2 4.31Å; F498-L531 HydrophobicContact CG-CD2 4.37Å; F498-L531 HydrophobicContact CZ-CD1 4.06Å; F498-L531 HydrophobicContact CZ-CD2 3.82Å; F498-L531 HydrophobicContact CZ-CG 4.46Å; I518-L531 HydrophobicContact CD1-CD2 4.45Å; L531-V533 HydrophobicContact CD1-CG2 4.12Å; L531-V533 HydrophobicContact CD2-CG2 4.33Å; L531-V533 HydrophobicContact CG-CG2 4.05Å; L531-I549 HydrophobicContact CD1-CG2 3.53Å; L531-A551 HydrophobicContact CD1-CB 3.93Å
532E92.2Very high82Confident0 Ų053.9 Ų53.90%026%0.259CS..EExtended strand (participates in β ladder)trans-109.7135.4167.6-71.3-172.7169.300109.7S145 T147 W149 Y151 H303 L304 I549 S550S145-E532 PolarHBondContact OG-OE2 2.9Å; T147-E532 PolarHBondContact OG1-OE2 2.82Å; W149-E532 HydrophobicContact CE3-CG 4.19Å; W149-E532 HydrophobicContact CH2-CB 4.47Å; W149-E532 HydrophobicContact CH2-CG 3.7Å; W149-E532 HydrophobicContact CZ3-CG 3.48Å; W149-E532 VanDerWaalsContact CZ3-CG 3.48Å; Y151-E532 VanDerWaalsContact CE1-OE1 3.31Å; Y151-E532 WeakPolarHBondContact CE1-OE1 3.31Å; Y151-E532 VanDerWaalsContact CZ-OE1 3.32Å; Y151-E532 WeakPolarHBondContact OH-CG 3.46Å; Y151-E532 PolarHBondContact OH-OE1 3.11Å; H303-E532 IonicContact CE1-OE1 3.47Å; H303-E532 IonicContact CE1-OE2 3.68Å; L304-E532 CarbonylContact O-C 3.23Å; L304-E532 WeakPolarHBondContact O-CA 3.44Å; E532-I549 WeakPolarHBondContact O-CA 3.3Å; E532-S550 PolarHBondContact N-O 3.12Å; E532-S550 PolarHBondContact O-N 2.83Å
533V90.3Very high80.6Confident1 Ų154 Ų541%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-123.9113.9171.7-163.90000107.9H303 L304 L428 F498 L531 I535 L545 F548 I549H303-V533 WeakPolarHBondContact CA-O 3.23Å; L304-V533 HydrophobicContact CB-CB 4.35Å; L304-V533 PolarHBondContact N-O 2.86Å; L304-V533 PolarHBondContact O-N 3.09Å; L428-V533 HydrophobicContact CD1-CB 4.14Å; L428-V533 HydrophobicContact CD1-CG1 3.83Å; L428-V533 HydrophobicContact CD1-CG2 4.16Å; F498-V533 HydrophobicContact CE2-CG2 4.2Å; F498-V533 HydrophobicContact CZ-CG2 3.72Å; L531-V533 HydrophobicContact CD1-CG2 4.12Å; L531-V533 HydrophobicContact CD2-CG2 4.33Å; L531-V533 HydrophobicContact CG-CG2 4.05Å; V533-I535 HydrophobicContact CG1-CD1 4.03Å; V533-I535 HydrophobicContact CG1-CG1 3.92Å; V533-L545 HydrophobicContact CG1-CD1 4.47Å; V533-F548 WeakPolarHBondContact CA-O 3.39Å; V533-I549 HydrophobicContact CG1-CG1 4.03Å; V533-I549 HydrophobicContact CG2-CG1 4.25Å
534N87Confident79.9Confident41 Ų4156.9 Ų56.922%0.21928%0.281CS..  trans-107.576.6-175.8-71-59.9000110.1D302 H303 N536 F548D302-N534 CarbonylContact O-C 3.41Å; D302-N534 WeakPolarHBondContact O-CA 3.48Å; H303-N534 PolarHBondContact ND1-OD1 2.75Å; N534-N536 VanDerWaalsContact C-N 3.28Å; N534-N536 PolarHBondContact O-N 2.99Å; N534-F548 PolarHBondContact N-O 3.17Å; N534-F548 VanDerWaalsContact O-CD1 3.23Å; N534-F548 WeakPolarHBondContact O-CD1 3.1Å
535I77.8Confident79.6Confident10 Ų1055.9 Ų55.95%0.05127%0.27CS..  trans-83.279.7177.2-62.1169.2000107.1V295 L297 T300 D302 L428 V533 F539V295-I535 HydrophobicContact CG1-CD1 4.11Å; L297-I535 HydrophobicContact CD2-CG2 4.18Å; T300-I535 HydrophobicContact CG2-CD1 3.79Å; D302-I535 WeakPolarHBondContact CA-O 3.2Å; D302-I535 CarbonylContact O-C 3.59Å; D302-I535 PolarHBondContact O-N 2.62Å; L428-I535 HydrophobicContact CD1-CD1 4.12Å; L428-I535 HydrophobicContact CD2-CD1 4.14Å; L428-I535 HydrophobicContact CG-CD1 4.29Å; V533-I535 HydrophobicContact CG1-CD1 4.03Å; V533-I535 HydrophobicContact CG1-CG1 3.92Å; I535-F539 HydrophobicContact CB-CB 4.5Å; I535-F539 HydrophobicContact CG1-CD2 4.37Å; I535-F539 HydrophobicContact CG2-CB 3.47Å; I535-F539 VanDerWaalsContact CG2-CB 3.47Å; I535-F539 HydrophobicContact CG2-CD1 4.21Å; I535-F539 HydrophobicContact CG2-CD2 4.29Å; I535-F539 HydrophobicContact CG2-CG 3.74Å
536N67.8Low79.5Confident88 Ų8856.1 Ų56.147%0.47127%0.271SS..  trans-64.7164.3167.6-69-12.2000109.3N534 E538 F539N534-N536 VanDerWaalsContact C-N 3.28Å; N534-N536 PolarHBondContact O-N 2.99Å; N536-E538 PolarHBondContact O-N 2.76Å; N536-F539 PolarHBondContact O-N 3.07Å
537R56.2Low79.1Confident245 Ų24563.2 Ų63.293%0.92530%0.298SS*.THydrogen-bonded Turntrans-55.9-4.8175.8-66.6-174.5-180-177.1-0.7115.1F539R537-F539 VanDerWaalsContact C-N 3.35Å
538E63.3Low78.8Confident161 Ų16164.6 Ų64.675%0.75230%0.304SS*.THydrogen-bonded Turntrans-80.1-12.1172.5-63.5-178.2173.900113.6N536 S540N536-E538 PolarHBondContact O-N 2.76Å; E538-S540 PolarHBondContact O-N 2.77Å; E538-S540 VanDerWaalsContact O-N 3.13Å
539F67.4Low78.5Confident22 Ų2264.8 Ų64.810%0.09631%0.305CS..  trans-67113.7176.5-169.5-85.9000110.3V295 L297 I535 N536 R537 A543 L545 F548V295-F539 HydrophobicContact CB-CE1 4Å; V295-F539 HydrophobicContact CB-CZ 4.28Å; V295-F539 HydrophobicContact CG2-CE1 4.1Å; V295-F539 HydrophobicContact CG2-CZ 3.87Å; L297-F539 HydrophobicContact CD1-CD1 4.43Å; L297-F539 HydrophobicContact CD2-CD1 3.46Å; L297-F539 VanDerWaalsContact CD2-CD1 3.46Å; L297-F539 HydrophobicContact CD2-CE1 3.93Å; L297-F539 HydrophobicContact CD2-CG 4.4Å; I535-F539 HydrophobicContact CB-CB 4.5Å; I535-F539 HydrophobicContact CG1-CD2 4.37Å; I535-F539 HydrophobicContact CG2-CB 3.47Å; I535-F539 VanDerWaalsContact CG2-CB 3.47Å; I535-F539 HydrophobicContact CG2-CD1 4.21Å; I535-F539 HydrophobicContact CG2-CD2 4.29Å; I535-F539 HydrophobicContact CG2-CG 3.74Å; N536-F539 PolarHBondContact O-N 3.07Å; R537-F539 VanDerWaalsContact C-N 3.35Å; F539-A543 HydrophobicContact CD2-CB 3.97Å; F539-A543 HydrophobicContact CE2-CB 3.96Å; F539-A543 HydrophobicContact CG-CB 4.39Å; F539-A543 HydrophobicContact CZ-CB 4.39Å; F539-L545 HydrophobicContact CE2-CD1 3.7Å; F539-L545 HydrophobicContact CZ-CD1 4.12Å; F539-F548 AromaticContact CD2-CD2 3.61Å; F539-F548 HydrophobicContact CD2-CD2 3.61Å; F539-F548 AromaticContact CD2-CE2 3.7Å; F539-F548 HydrophobicContact CD2-CE2 3.7Å; F539-F548 HydrophobicContact CD2-CG 4.05Å; F539-F548 HydrophobicContact CD2-CZ 4.18Å; F539-F548 AromaticContact CE2-CD2 3.98Å; F539-F548 HydrophobicContact CE2-CD2 3.98Å; F539-F548 HydrophobicContact CE2-CE2 4.25Å
540S65Low78.2Confident68 Ų6865 Ų6548%0.47631%0.306SS..  trans-94.9162.4174.766.50000111.1E538 N542 A543E538-S540 PolarHBondContact O-N 2.77Å; E538-S540 VanDerWaalsContact O-N 3.13Å; S540-N542 PolarHBondContact O-N 3.4Å; S540-A543 WeakPolarHBondContact O-CB 3.35Å; S540-A543 PolarHBondContact O-N 2.86Å
541H61.1Low78.2Confident121 Ų12164.1 Ų64.156%0.5630%0.303SS*.THydrogen-bonded Turntrans-56.7-13.3-179.8-75.6-85.8000114.9E294E294-H541 IonicContact OE2-CE1 3.11Å; E294-H541 IonicContact OE2-CG 3.32Å; E294-H541 IonicContact OE2-ND1 3.76Å; E294-H541 PolarHBondContact OE2-ND1 3.09Å
542N56.9Low78.1Confident155 Ų15564.2 Ų64.283%0.82930%0.303SS*.THydrogen-bonded Turntrans-124.520.5-179.8-75.7-35.8000113.5S540S540-N542 PolarHBondContact O-N 3.4Å
543A63.6Low78.3Confident27 Ų2764.2 Ų64.222%0.22330%0.303CS..  trans-75.1138.5-177.400000111.7F539 S540 L545 F548F539-A543 HydrophobicContact CD2-CB 3.97Å; F539-A543 HydrophobicContact CE2-CB 3.96Å; F539-A543 HydrophobicContact CG-CB 4.39Å; F539-A543 HydrophobicContact CZ-CB 4.39Å; S540-A543 WeakPolarHBondContact O-CB 3.35Å; S540-A543 PolarHBondContact O-N 2.86Å; A543-L545 PolarHBondContact O-N 2.8Å; A543-F548 HydrophobicContact CB-CE2 3.78Å; A543-F548 HydrophobicContact CB-CZ 4.4Å
544D78.5Confident78.5Confident62 Ų6264.2 Ų64.233%0.33230%0.303SS..  trans-59.5101.7168.1174.410.9000109.3K546 R547D544-K546 PolarHBondContact O-N 3.2Å; D544-K546 VanDerWaalsContact O-N 3.12Å; D544-K546 VanDerWaalsContact OD1-CB 3.24Å; D544-K546 WeakPolarHBondContact OD1-CB 3.29Å; D544-K546 PolarHBondContact OD1-N 3.24Å; D544-R547 HydrophobicContact CB-CG 4.14Å; D544-R547 WeakPolarHBondContact O-CB 3.42Å; D544-R547 PolarHBondContact O-N 3.13Å; D544-R547 VanDerWaalsContact O-N 3.07Å; D544-R547 IonicContact OD2-NE 2.78Å; D544-R547 PolarHBondContact OD2-NE 3.07Å
545L83.3Confident78.7Confident17 Ų1765.9 Ų65.99%0.08931%0.307CS..G310 helixtrans-57-30.7-173.7-178.267.2000111.8L428 N497 V533 F539 A543 R547 F548 I549L428-L545 HydrophobicContact CD2-CD1 4.23Å; L428-L545 HydrophobicContact CD2-CD2 4.4Å; N497-L545 HydrophobicContact CB-CD2 3.67Å; V533-L545 HydrophobicContact CG1-CD1 4.47Å; F539-L545 HydrophobicContact CE2-CD1 3.7Å; F539-L545 HydrophobicContact CZ-CD1 4.12Å; A543-L545 PolarHBondContact O-N 2.8Å; L545-R547 PolarHBondContact O-N 2.96Å; L545-R547 VanDerWaalsContact O-N 3.17Å; L545-F548 PolarHBondContact O-N 3.11Å; L545-I549 HydrophobicContact CD1-CD1 4.25Å; L545-I549 HydrophobicContact CD2-CD1 3.85Å; L545-I549 HydrophobicContact CG-CD1 3.54Å; L545-I549 HydrophobicContact CG-CG1 4.37Å; L545-I549 WeakPolarHBondContact O-CG1 3.47Å
546K85.4Confident79.3Confident79 Ų7967 Ų6734%0.34331%0.311SS..G310 helixtrans-55.6-32.4178176.8170.8174.9-176.90113.5F141 E511 D544 F548 I549F141-K546 HydrophobicContact CE1-CD 4.5Å; F141-K546 HydrophobicContact CE1-CG 3.97Å; F141-K546 HydrophobicContact CZ-CD 3.83Å; F141-K546 HydrophobicContact CZ-CG 3.81Å; E511-K546 WeakPolarHBondContact OE2-CD 3.37Å; E511-K546 WeakPolarHBondContact OE2-CE 3.29Å; E511-K546 IonicContact OE2-NZ 3.25Å; E511-K546 PolarHBondContact OE2-NZ 3.39Å; D544-K546 PolarHBondContact O-N 3.2Å; D544-K546 VanDerWaalsContact O-N 3.12Å; D544-K546 VanDerWaalsContact OD1-CB 3.24Å; D544-K546 WeakPolarHBondContact OD1-CB 3.29Å; D544-K546 PolarHBondContact OD1-N 3.24Å; K546-F548 PolarHBondContact O-N 2.74Å; K546-I549 PolarHBondContact O-N 2.65Å
547R85.6Confident79.8Confident203 Ų20366 Ų6677%0.76630%0.303SS*.G310 helixtrans-66.3-20.2179.2-61.7-177-177.2-165.7-3.1113.3D544 L545D544-R547 HydrophobicContact CB-CG 4.14Å; D544-R547 WeakPolarHBondContact O-CB 3.42Å; D544-R547 PolarHBondContact O-N 3.13Å; D544-R547 VanDerWaalsContact O-N 3.07Å; D544-R547 IonicContact OD2-NE 2.78Å; D544-R547 PolarHBondContact OD2-NE 3.07Å; L545-R547 PolarHBondContact O-N 2.96Å; L545-R547 VanDerWaalsContact O-N 3.17Å
548F87.5Confident81.1Confident37 Ų3756.5 Ų56.516%0.16227%0.27CS..G310 helixtrans-105.18.3-177.9-58.3-84000112.1V533 N534 F539 A543 L545 K546V533-F548 WeakPolarHBondContact CA-O 3.39Å; N534-F548 PolarHBondContact N-O 3.17Å; N534-F548 VanDerWaalsContact O-CD1 3.23Å; N534-F548 WeakPolarHBondContact O-CD1 3.1Å; F539-F548 AromaticContact CD2-CD2 3.61Å; F539-F548 HydrophobicContact CD2-CD2 3.61Å; F539-F548 AromaticContact CD2-CE2 3.7Å; F539-F548 HydrophobicContact CD2-CE2 3.7Å; F539-F548 HydrophobicContact CD2-CG 4.05Å; F539-F548 HydrophobicContact CD2-CZ 4.18Å; F539-F548 AromaticContact CE2-CD2 3.98Å; F539-F548 HydrophobicContact CE2-CD2 3.98Å; F539-F548 HydrophobicContact CE2-CE2 4.25Å; A543-F548 HydrophobicContact CB-CE2 3.78Å; A543-F548 HydrophobicContact CB-CZ 4.4Å; L545-F548 PolarHBondContact O-N 3.11Å; K546-F548 PolarHBondContact O-N 2.74Å
549I90.2Very high82.1Confident4 Ų450.7 Ų50.72%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-117134.7-173.8-70.1170.4000110.1F141 G142 F498 I516 L531 E532 V533 L545 K546 A551F141-I549 HydrophobicContact CD1-CG2 4.31Å; F141-I549 HydrophobicContact CE1-CG2 4.34Å; G142-I549 WeakPolarHBondContact CA-O 3.26Å; F498-I549 HydrophobicContact CE1-CD1 3.57Å; F498-I549 HydrophobicContact CE1-CG1 4.47Å; F498-I549 HydrophobicContact CZ-CD1 3.37Å; F498-I549 HydrophobicContact CZ-CG1 4.13Å; I516-I549 HydrophobicContact CD1-CD1 3.2Å; I516-I549 HydrophobicContact CD1-CG1 4.44Å; I516-I549 HydrophobicContact CD1-CG2 4.45Å; L531-I549 HydrophobicContact CD1-CG2 3.53Å; E532-I549 WeakPolarHBondContact O-CA 3.3Å; V533-I549 HydrophobicContact CG1-CG1 4.03Å; V533-I549 HydrophobicContact CG2-CG1 4.25Å; L545-I549 HydrophobicContact CD1-CD1 4.25Å; L545-I549 HydrophobicContact CD2-CD1 3.85Å; L545-I549 HydrophobicContact CG-CD1 3.54Å; L545-I549 HydrophobicContact CG-CG1 4.37Å; L545-I549 WeakPolarHBondContact O-CG1 3.47Å; K546-I549 PolarHBondContact O-N 2.65Å; I549-A551 HydrophobicContact CG2-CB 4.39Å
550S92.5Very high82.9Confident4 Ų452.4 Ų52.43%0.02825%0.252CS..EExtended strand (participates in β ladder)trans-122.7129.2163-156.70000108.1E143 E532E143-S550 WeakPolarHBondContact O-CB 3.26Å; E143-S550 PolarHBondContact O-OG 2.77Å; E532-S550 PolarHBondContact N-O 3.12Å; E532-S550 PolarHBondContact O-N 2.83Å
551A95Very high84.1Confident1 Ų151.4 Ų51.41%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-140.7142.117900000111.2R140 F141 I509 R530 L531 I549R140-A551 CarbonylContact C-O 3.47Å; F141-A551 HydrophobicContact CB-CB 4.42Å; F141-A551 PolarHBondContact N-O 3.1Å; F141-A551 PolarHBondContact O-N 3.44Å; I509-A551 HydrophobicContact CD1-CB 3.67Å; R530-A551 CarbonylContact O-C 3.59Å; R530-A551 VanDerWaalsContact O-CA 3.25Å; R530-A551 WeakPolarHBondContact O-CA 3.28Å; L531-A551 HydrophobicContact CD1-CB 3.93Å; I549-A551 HydrophobicContact CG2-CB 4.39Å
552E94.7Very high85.6Confident3 Ų346.8 Ų46.81%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-135.5146.7-178.8-60-171.813100110.9V137 L139 R140 W149 S529 R530 V554V137-E552 HydrophobicContact CG1-CB 4.22Å; V137-E552 HydrophobicContact CG1-CG 4.31Å; L139-E552 CarbonylContact O-C 3.56Å; L139-E552 VanDerWaalsContact O-CA 3.24Å; L139-E552 WeakPolarHBondContact O-CA 3.34Å; R140-E552 HydrophobicContact CG-CG 4.09Å; R140-E552 IonicContact CZ-OE1 3.5Å; R140-E552 IonicContact NE-OE1 2.82Å; R140-E552 PolarHBondContact NE-OE1 2.79Å; R140-E552 IonicContact NH2-OE1 2.79Å; W149-E552 HydrophobicContact CZ2-CG 4.13Å; W149-E552 PolarHBondContact NE1-OE2 3.35Å; S529-E552 CarbonylContact C-O 3.43Å; S529-E552 WeakPolarHBondContact CA-O 3.3Å; R530-E552 HydrophobicContact CG-CB 3.91Å; R530-E552 IonicContact CZ-OE2 2.62Å; R530-E552 PolarHBondContact N-O 2.81Å; R530-E552 IonicContact NE-OE2 3.11Å; R530-E552 PolarHBondContact NE-OE2 3.33Å; R530-E552 IonicContact NH2-OE2 3.82Å; R530-E552 PolarHBondContact NH2-OE2 3.25Å; R530-E552 PolarHBondContact O-N 2.99Å; E552-V554 HydrophobicContact CB-CG2 4.09Å
553I95.4Very high87.6Confident0 Ų039.1 Ų39.10%017%0.173CC..EExtended strand (participates in β ladder)trans-104.3125.7167.1-51.7-162.6000107.2L138 L139 F507 I509 N519 I527L138-I553 PolarHBondContact N-O 3.13Å; L139-I553 HydrophobicContact CB-CB 4.1Å; L139-I553 HydrophobicContact CB-CG1 4.2Å; L139-I553 HydrophobicContact CD2-CD1 4.41Å; L139-I553 HydrophobicContact CD2-CG1 4.24Å; L139-I553 PolarHBondContact N-O 2.81Å; L139-I553 PolarHBondContact O-N 3.28Å; F507-I553 HydrophobicContact CB-CD1 3.67Å; F507-I553 HydrophobicContact CB-CG2 4.18Å; F507-I553 HydrophobicContact CD1-CG2 4.43Å; F507-I553 HydrophobicContact CD2-CB 4.29Å; F507-I553 HydrophobicContact CD2-CD1 3.82Å; F507-I553 HydrophobicContact CD2-CG2 3.97Å; F507-I553 HydrophobicContact CG-CD1 4.07Å; F507-I553 HydrophobicContact CG-CG2 3.92Å; I509-I553 HydrophobicContact CD1-CD1 4.38Å; I509-I553 HydrophobicContact CD1-CG1 3.86Å; I509-I553 HydrophobicContact CG1-CD1 3.98Å; I509-I553 HydrophobicContact CG1-CG1 4.02Å; N519-I553 VanDerWaalsContact O-CD1 3.32Å; N519-I553 WeakPolarHBondContact O-CD1 3.47Å; I527-I553 HydrophobicContact CG2-CG2 3.48Å; I527-I553 VanDerWaalsContact CG2-CG2 3.48Å
554V93.8Very high89.5Confident0 Ų040 Ų400%017%0.169CC..EExtended strand (participates in β ladder)trans-127.9134.1-167.4-177.80000109.4E135 V137 I527 Y528 R530 E552E135-V554 HydrophobicContact CB-CG1 3.8Å; E135-V554 HydrophobicContact CG-CG1 4.18Å; V137-V554 HydrophobicContact CG2-CG2 4.38Å; I527-V554 WeakPolarHBondContact CA-O 3.32Å; Y528-V554 HydrophobicContact CD1-CB 4.03Å; Y528-V554 HydrophobicContact CD1-CG1 4.46Å; Y528-V554 HydrophobicContact CE1-CB 3.59Å; Y528-V554 HydrophobicContact CE1-CG1 3.71Å; Y528-V554 HydrophobicContact CE1-CG2 4.46Å; Y528-V554 PolarHBondContact N-O 2.84Å; Y528-V554 PolarHBondContact O-N 3.16Å; R530-V554 HydrophobicContact CG-CG2 4.16Å; E552-V554 HydrophobicContact CB-CG2 4.09Å
555R92.4Very high90.4Very high77 Ų7738.2 Ų38.229%0.29116%0.156SC..EExtended strand (participates in β ladder)trans-95.1138.4165.3166.9-177.7-68.8146.60.6109.9E51 E135 S136 L138 R526 I527E51-R555 IonicContact OE1-CZ 2.93Å; E51-R555 IonicContact OE1-NH1 3.6Å; E51-R555 PolarHBondContact OE1-NH1 2.92Å; E51-R555 IonicContact OE1-NH2 3.92Å; E51-R555 PolarHBondContact OE1-NH2 2.95Å; E51-R555 IonicContact OE2-NH1 2.73Å; E135-R555 CarbonylContact C-O 3.54Å; E135-R555 WeakPolarHBondContact CA-O 3.24Å; S136-R555 PolarHBondContact N-O 3.16Å; S136-R555 PolarHBondContact O-N 2.87Å; S136-R555 WeakPolarHBondContact OG-CB 3.43Å; L138-R555 HydrophobicContact CD1-CB 3.97Å; L138-R555 HydrophobicContact CD2-CB 4.09Å; L138-R555 HydrophobicContact CG-CB 4.09Å; R526-R555 CarbonylContact O-C 3.53Å; R526-R555 WeakPolarHBondContact O-CA 3.32Å; I527-R555 HydrophobicContact CG1-CB 4.45Å
556F89.2Confident91.1Very high33 Ų3340.1 Ų40.115%0.14516%0.162CC..  trans-129.90-177.364.1-85.8000114.4P133 E135 D326 L327 I330 R526 Y528P133-F556 WeakPolarHBondContact CB-OXT 3.17Å; E135-F556 HydrophobicContact CG-CB 4.45Å; D326-F556 HydrophobicContact CB-CD2 4.22Å; D326-F556 HydrophobicContact CB-CE2 3.92Å; L327-F556 HydrophobicContact CB-CE2 4.07Å; L327-F556 HydrophobicContact CB-CZ 3.82Å; L327-F556 HydrophobicContact CD1-CE1 4.16Å; L327-F556 HydrophobicContact CD1-CZ 4.1Å; I330-F556 HydrophobicContact CD1-CB 3.21Å; I330-F556 HydrophobicContact CD1-CD1 4.22Å; I330-F556 HydrophobicContact CD1-CD2 3.29Å; I330-F556 HydrophobicContact CD1-CE2 4.17Å; I330-F556 HydrophobicContact CD1-CG 3.32Å; R526-F556 VanDerWaalsContact C-CD1 3.45Å; R526-F556 HydrophobicContact CB-CD1 4.2Å; R526-F556 HydrophobicContact CB-CD2 4.18Å; R526-F556 HydrophobicContact CB-CE1 4.18Å; R526-F556 HydrophobicContact CB-CE2 4.15Å; R526-F556 HydrophobicContact CB-CG 4.22Å; R526-F556 HydrophobicContact CB-CZ 4.16Å; R526-F556 WeakPolarHBondContact CB-O 3.35Å; R526-F556 WeakPolarHBondContact O-CD1 3.39Å; R526-F556 WeakPolarHBondContact O-CE1 3.13Å; R526-F556 PolarHBondContact O-N 3.07Å; Y528-F556 AromaticContact CD1-CD1 3.47Å; Y528-F556 HydrophobicContact CD1-CD1 3.47Å; Y528-F556 VanDerWaalsContact CD1-CD1 3.47Å; Y528-F556 AromaticContact CD1-CE1 3.78Å; Y528-F556 HydrophobicContact CD1-CE1 3.78Å; Y528-F556 HydrophobicContact CD1-CG 4.46Å; Y528-F556 AromaticContact CE1-CD1 3.99Å; Y528-F556 HydrophobicContact CE1-CD1 3.99Å; Y528-F556 HydrophobicContact CG-CD1 4.48Å; Y528-F556 HydrophobicContact CG-CE1 4.39Å

Retrieved 556 of 556 residues in 469.9 ms (Link to these results)

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