A0A077Z0P5_TRITR Loading...

Isoleucine--tRNA ligase, cytoplasmic

Catalyzes the specific attachment of an amino acid to its cognate tRNA in a 2 step reaction: the amino acid (AA) is first activated by ATP to form AA-AMP and then transferred to the acceptor end of the tRNA.

AlphaFold DB , UniProt , Accession A0A077Z0P5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,173 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
1M73.8Confident88.1Confident184 Ų18477.9 Ų77.991%0.90642%0.422SS*.  0140.90-76.9-156.6-101.500110K784M1-K784 WeakPolarHBondContact O-CD 3.21Å
2L85.8Confident88.8Confident14 Ų1472.5 Ų72.57%0.07339%0.394CS..PPolyproline II helixtrans-68.4139.8177.5-72.8176.1000112V665 V668 Q669 N781 L785L2-V665 HydrophobicContact CB-CG1 4.23Å; L2-V665 HydrophobicContact CD1-CB 4.37Å; L2-V665 HydrophobicContact CD1-CG1 4.11Å; L2-V665 HydrophobicContact CD1-CG2 4.19Å; L2-V668 HydrophobicContact CD1-CB 3.97Å; L2-V668 HydrophobicContact CD1-CG1 3.69Å; L2-Q669 PolarHBondContact O-NE2 3.43Å; L2-N781 WeakPolarHBondContact CA-OD1 3.43Å; L2-N781 HydrophobicContact CD2-CB 4.49Å; L2-N781 WeakPolarHBondContact CD2-O 3.33Å; L2-N781 WeakPolarHBondContact CD2-OD1 3.21Å; L2-L785 HydrophobicContact CD1-CD1 4.29Å; L2-L785 HydrophobicContact CD1-CD2 3.69Å; L2-L785 HydrophobicContact CD1-CG 4.27Å; L2-L785 HydrophobicContact CD2-CD1 4.47Å; L2-L785 HydrophobicContact CD2-CD2 3.96Å; L2-L785 HydrophobicContact CD2-CG 3.98Å; L2-L785 HydrophobicContact CG-CD2 3.77Å; L2-L785 HydrophobicContact CG-CG 4.34Å
3E89Confident89.4Confident127 Ų12775.7 Ų75.759%0.59340%0.404SS*.PPolyproline II helixtrans-75.5139168.6-74.8168-142.700110.5V5 N781 K784E3-V5 PolarHBondContact O-N 3.25Å; E3-N781 PolarHBondContact N-OD1 3.43Å; E3-N781 PolarHBondContact O-ND2 3.46Å; E3-K784 IonicContact OE1-NZ 3.51Å; E3-K784 PolarHBondContact OE1-NZ 2.77Å
4T89.5Confident89.9Confident110 Ų11073.3 Ų73.368%0.67539%0.389SS*.PPolyproline II helixtrans-68127.6178.5-54.30000110.4Q669T4-Q669 PolarHBondContact OG1-NE2 3.16Å
5V90.9Very high90.4Very high8 Ų869 Ų695%0.04837%0.366CS..PPolyproline II helixtrans-88.3129.1-178.4-178.50000110.4E3 F658 Y661 R662 V665E3-V5 PolarHBondContact O-N 3.25Å; V5-F658 HydrophobicContact CG1-CE1 4.24Å; V5-F658 HydrophobicContact CG1-CE2 3.64Å; V5-F658 HydrophobicContact CG1-CZ 3.33Å; V5-Y661 HydrophobicContact CB-CE1 4.36Å; V5-Y661 HydrophobicContact CG1-CD1 4.31Å; V5-Y661 HydrophobicContact CG1-CE1 3.84Å; V5-Y661 HydrophobicContact CG2-CD1 4.39Å; V5-Y661 HydrophobicContact CG2-CE1 3.51Å; V5-Y661 HydrophobicContact CG2-CE2 4.35Å; V5-Y661 VanDerWaalsContact CG2-CZ 3.48Å; V5-Y661 WeakPolarHBondContact CG2-OH 3.23Å; V5-R662 HydrophobicContact CB-CB 4.28Å; V5-R662 HydrophobicContact CB-CG 4.14Å; V5-R662 HydrophobicContact CG1-CB 3.83Å; V5-R662 HydrophobicContact CG1-CG 4Å; V5-V665 HydrophobicContact CG2-CB 4.01Å; V5-V665 HydrophobicContact CG2-CG1 3.96Å; V5-V665 HydrophobicContact CG2-CG2 3.89Å
6P88.8Confident90.9Very high74 Ų7470.4 Ų70.448%0.48137%0.37SS..PPolyproline II helixtrans-68.1155.4-178.528.3-35.3000112.8R662P6-R662 WeakPolarHBondContact O-CD 3.2Å
7D83.5Confident91.2Very high103 Ų10373.2 Ų73.255%0.55138%0.378SS*.SBendtrans-68.3-36.5-178.8-77.2-2.6000113.3R662D7-R662 IonicContact OD1-CZ 3.3Å; D7-R662 IonicContact OD1-NE 2.94Å; D7-R662 PolarHBondContact OD1-NE 3.22Å; D7-R662 IonicContact OD1-NH2 3.16Å; D7-R662 PolarHBondContact OD1-NH2 3.26Å; D7-R662 IonicContact OD2-NH2 3.77Å
8N85.7Confident91.6Very high148 Ų14869.5 Ų69.579%0.79136%0.36SS*.SBendtrans-114.7142.1175.9-66.2-27000108.8
9I91.8Very high91.9Very high31 Ų3167.2 Ų67.216%0.15935%0.348CS..  trans-122137.3178.3-178.5164.2000110.1F11 E14 L655 F658 M777I9-F11 HydrophobicContact CD1-CD1 4.02Å; I9-F11 HydrophobicContact CD1-CE1 3.92Å; I9-F11 HydrophobicContact CG1-CD1 4.39Å; I9-F11 HydrophobicContact CG1-CE1 4.47Å; I9-F11 HydrophobicContact CG2-CD2 4.31Å; I9-F11 HydrophobicContact CG2-CE1 4.21Å; I9-F11 HydrophobicContact CG2-CE2 3.78Å; I9-F11 HydrophobicContact CG2-CZ 3.72Å; I9-E14 HydrophobicContact CD1-CG 3.92Å; I9-E14 HydrophobicContact CG1-CG 3.93Å; I9-L655 HydrophobicContact CG2-CD2 4.23Å; I9-F658 HydrophobicContact CB-CD1 4.3Å; I9-F658 HydrophobicContact CB-CE1 3.85Å; I9-F658 HydrophobicContact CB-CE2 4.15Å; I9-F658 HydrophobicContact CB-CZ 3.75Å; I9-F658 HydrophobicContact CD1-CD2 3.59Å; I9-F658 HydrophobicContact CD1-CE2 3.39Å; I9-F658 HydrophobicContact CD1-CG 4.28Å; I9-F658 HydrophobicContact CD1-CZ 3.93Å; I9-F658 HydrophobicContact CG1-CE2 4.31Å; I9-F658 HydrophobicContact CG1-CZ 4.38Å; I9-F658 HydrophobicContact CG2-CD1 3.68Å; I9-F658 HydrophobicContact CG2-CD2 4.39Å; I9-F658 HydrophobicContact CG2-CE1 3.71Å; I9-F658 HydrophobicContact CG2-CE2 4.42Å; I9-F658 HydrophobicContact CG2-CG 4.03Å; I9-F658 HydrophobicContact CG2-CZ 4.08Å; I9-M777 HydrophobicContact CD1-CE 4.15Å; I9-M777 HydrophobicContact CD1-SD 3.77Å
10S94.4Very high92.1Very high41 Ų4167.7 Ų67.729%0.28736%0.357SS..  trans-100.699.2163.7-178.40000107.4P12 E13 E14S10-P12 VanDerWaalsContact C-CD 3.46Å; S10-P12 VanDerWaalsContact C-N 3.34Å; S10-E13 VanDerWaalsContact CB-CD 3.46Å; S10-E13 WeakPolarHBondContact CB-OE1 3.27Å; S10-E13 PolarHBondContact O-N 3.26Å; S10-E13 VanDerWaalsContact OG-CD 3.23Å; S10-E13 WeakPolarHBondContact OG-CG 3.26Å; S10-E13 PolarHBondContact OG-OE1 2.75Å; S10-E14 PolarHBondContact O-N 3.5Å; S10-E14 VanDerWaalsContact O-N 3.09Å
11F95.7Very high92.3Very high17 Ų1766.6 Ų66.68%0.07535%0.351CS..Hα-helixtrans-55.2-44.4179-66.5-78.7000112.4I9 E13 E14 E15 L650 F654 L655 F658 I774I9-F11 HydrophobicContact CD1-CD1 4.02Å; I9-F11 HydrophobicContact CD1-CE1 3.92Å; I9-F11 HydrophobicContact CG1-CD1 4.39Å; I9-F11 HydrophobicContact CG1-CE1 4.47Å; I9-F11 HydrophobicContact CG2-CD2 4.31Å; I9-F11 HydrophobicContact CG2-CE1 4.21Å; I9-F11 HydrophobicContact CG2-CE2 3.78Å; I9-F11 HydrophobicContact CG2-CZ 3.72Å; F11-E13 VanDerWaalsContact C-N 3.34Å; F11-E13 PolarHBondContact O-N 3.18Å; F11-E14 PolarHBondContact O-N 3.15Å; F11-E15 VanDerWaalsContact O-CG 3.26Å; F11-E15 WeakPolarHBondContact O-CG 3.15Å; F11-E15 PolarHBondContact O-N 3.13Å; F11-L650 HydrophobicContact CD2-CD1 3.8Å; F11-L650 HydrophobicContact CD2-CD2 4Å; F11-L650 HydrophobicContact CD2-CG 3.89Å; F11-L650 HydrophobicContact CE2-CD1 4.36Å; F11-L650 HydrophobicContact CE2-CD2 3.82Å; F11-L650 HydrophobicContact CE2-CG 3.93Å; F11-F654 HydrophobicContact CE1-CB 4.09Å; F11-F654 HydrophobicContact CE2-CB 4.26Å; F11-F654 HydrophobicContact CZ-CB 3.77Å; F11-L655 HydrophobicContact CE2-CD2 4.03Å; F11-L655 HydrophobicContact CE2-CG 4.14Å; F11-L655 HydrophobicContact CZ-CD2 4.33Å; F11-F658 HydrophobicContact CZ-CB 4.28Å; F11-I774 HydrophobicContact CD1-CD1 4.29Å; F11-I774 HydrophobicContact CE1-CD1 3.68Å
12P96.7Very high93.5Very high13 Ų1358.5 Ų58.58%0.08431%0.311CS..Hα-helixtrans-58-41.5178.1-23.533.1000113.9S10 E15 E16 R137 H617S10-P12 VanDerWaalsContact C-CD 3.46Å; S10-P12 VanDerWaalsContact C-N 3.34Å; P12-E15 PolarHBondContact O-N 3.39Å; P12-E16 PolarHBondContact O-N 3.25Å; P12-R137 PolarHBondContact O-NH2 3.25Å; P12-H617 WeakPolarHBondContact CB-O 3.4Å; P12-H617 VanDerWaalsContact CG-O 3.26Å; P12-H617 WeakPolarHBondContact CG-O 3.31Å
13E96.6Very high93.9Very high114 Ų11464 Ų6453%0.53333%0.334SS..Hα-helixtrans-69.7-39.4179.1-71.4166-13800112.1S10 F11 E15 E16 K17S10-E13 VanDerWaalsContact CB-CD 3.46Å; S10-E13 WeakPolarHBondContact CB-OE1 3.27Å; S10-E13 PolarHBondContact O-N 3.26Å; S10-E13 VanDerWaalsContact OG-CD 3.23Å; S10-E13 WeakPolarHBondContact OG-CG 3.26Å; S10-E13 PolarHBondContact OG-OE1 2.75Å; F11-E13 VanDerWaalsContact C-N 3.34Å; F11-E13 PolarHBondContact O-N 3.18Å; E13-E15 VanDerWaalsContact C-N 3.34Å; E13-E16 PolarHBondContact O-N 3.48Å; E13-K17 WeakPolarHBondContact O-CG 3.45Å; E13-K17 PolarHBondContact O-N 3.39Å; E13-K17 VanDerWaalsContact O-N 3.16Å
14E96.4Very high94.3Very high42 Ų4266.3 Ų66.320%0.19634%0.342CS..Hα-helixtrans-66.6-37175.5-66.8-54.8141.200111.7I9 S10 F11 E16 K17 V18 M777I9-E14 HydrophobicContact CD1-CG 3.92Å; I9-E14 HydrophobicContact CG1-CG 3.93Å; S10-E14 PolarHBondContact O-N 3.5Å; S10-E14 VanDerWaalsContact O-N 3.09Å; F11-E14 PolarHBondContact O-N 3.15Å; E14-E16 VanDerWaalsContact C-N 3.32Å; E14-E16 PolarHBondContact O-N 2.8Å; E14-K17 PolarHBondContact O-N 3.11Å; E14-K17 IonicContact OE1-NZ 3.86Å; E14-K17 PolarHBondContact OE1-NZ 3.35Å; E14-K17 IonicContact OE2-NZ 2.76Å; E14-V18 WeakPolarHBondContact O-CG2 3.46Å; E14-V18 PolarHBondContact O-N 3.29Å; E14-M777 HydrophobicContact CB-CG 4.48Å; E14-M777 HydrophobicContact CB-SD 3.83Å; E14-M777 HydrophobicContact CG-SD 3.91Å
15E97.8Very high94.5Very high9 Ų963.7 Ų63.74%0.04232%0.324CS..Hα-helixtrans-60.1-40.9173-70.1-179.2171.500112F11 P12 E13 V18 L19 R137 G620 A621 D622 F773F11-E15 VanDerWaalsContact O-CG 3.26Å; F11-E15 WeakPolarHBondContact O-CG 3.15Å; F11-E15 PolarHBondContact O-N 3.13Å; P12-E15 PolarHBondContact O-N 3.39Å; E13-E15 VanDerWaalsContact C-N 3.34Å; E15-V18 PolarHBondContact O-N 3.44Å; E15-L19 WeakPolarHBondContact O-CB 3.45Å; E15-L19 PolarHBondContact O-N 3.32Å; E15-R137 IonicContact OE2-CZ 3.33Å; E15-R137 VanDerWaalsContact OE2-CZ 3.25Å; E15-R137 IonicContact OE2-NH1 3.98Å; E15-R137 PolarHBondContact OE2-NH1 3.06Å; E15-R137 IonicContact OE2-NH2 2.97Å; E15-R137 PolarHBondContact OE2-NH2 2.88Å; E15-G620 WeakPolarHBondContact OE1-CA 3.44Å; E15-G620 VanDerWaalsContact OE2-CA 3.26Å; E15-G620 WeakPolarHBondContact OE2-CA 3.41Å; E15-A621 PolarHBondContact OE1-N 2.88Å; E15-A621 PolarHBondContact OE2-N 2.89Å; E15-D622 PolarHBondContact OE1-N 3.45Å; E15-F773 HydrophobicContact CB-CB 4.24Å; E15-F773 HydrophobicContact CB-CD1 3.97Å; E15-F773 HydrophobicContact CB-CD2 4.46Å; E15-F773 HydrophobicContact CB-CE1 4.41Å; E15-F773 HydrophobicContact CB-CG 4Å; E15-F773 HydrophobicContact CG-CB 3.58Å; E15-F773 HydrophobicContact CG-CD1 4.19Å; E15-F773 HydrophobicContact CG-CD2 4.01Å; E15-F773 HydrophobicContact CG-CG 3.69Å
16E97.4Very high94.7Very high91 Ų9167 Ų6743%0.42534%0.341SS..Hα-helixtrans-65.9-37176.9-73.5178.8-173.700112.9P12 E13 E14 L19 S20P12-E16 PolarHBondContact O-N 3.25Å; E13-E16 PolarHBondContact O-N 3.48Å; E14-E16 VanDerWaalsContact C-N 3.32Å; E14-E16 PolarHBondContact O-N 2.8Å; E16-L19 PolarHBondContact O-N 2.74Å; E16-S20 WeakPolarHBondContact O-CB 3.42Å; E16-S20 PolarHBondContact O-N 3.42Å; E16-S20 PolarHBondContact O-OG 3.43Å
17K97Very high95.1Very high118 Ų11863.5 Ų63.551%0.51332%0.318SS..Hα-helixtrans-63.8-45.5172.9-67.3172.7-168169.80111.1E13 E14 L19 S20 L21E13-K17 WeakPolarHBondContact O-CG 3.45Å; E13-K17 PolarHBondContact O-N 3.39Å; E13-K17 VanDerWaalsContact O-N 3.16Å; E14-K17 PolarHBondContact O-N 3.11Å; E14-K17 IonicContact OE1-NZ 3.86Å; E14-K17 PolarHBondContact OE1-NZ 3.35Å; E14-K17 IonicContact OE2-NZ 2.76Å; K17-L19 VanDerWaalsContact C-N 3.34Å; K17-S20 WeakPolarHBondContact O-CB 3.47Å; K17-S20 PolarHBondContact O-N 3.38Å; K17-L21 PolarHBondContact O-N 2.92Å
18V97.5Very high95.6Very high7 Ų760.4 Ų60.44%0.04230%0.3CS..Hα-helixtrans-62.9-41.3176172.80000110.9E14 E15 S20 L21 W22 F773 D776 M777E14-V18 WeakPolarHBondContact O-CG2 3.46Å; E14-V18 PolarHBondContact O-N 3.29Å; E15-V18 PolarHBondContact O-N 3.44Å; V18-S20 VanDerWaalsContact C-N 3.34Å; V18-S20 PolarHBondContact O-N 3.33Å; V18-L21 WeakPolarHBondContact O-CB 3.26Å; V18-L21 PolarHBondContact O-N 3.25Å; V18-W22 HydrophobicContact CG1-CD2 4.13Å; V18-W22 VanDerWaalsContact CG1-CE2 3.47Å; V18-W22 HydrophobicContact CG1-CH2 4.3Å; V18-W22 HydrophobicContact CG1-CZ2 3.58Å; V18-W22 PolarHBondContact O-N 3.25Å; V18-F773 HydrophobicContact CB-CD1 4.1Å; V18-F773 HydrophobicContact CG1-CD1 3.91Å; V18-D776 HydrophobicContact CG1-CB 4.13Å; V18-M777 HydrophobicContact CG2-CB 3.86Å
19L96.8Very high96Very high25 Ų2555.3 Ų55.313%0.13128%0.276CS..Hα-helixtrans-63.5-40.8177.2-159.4118.3000111.7E15 E16 K17 L21 W22 K23 E136 F773E15-L19 WeakPolarHBondContact O-CB 3.45Å; E15-L19 PolarHBondContact O-N 3.32Å; E16-L19 PolarHBondContact O-N 2.74Å; K17-L19 VanDerWaalsContact C-N 3.34Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-W22 PolarHBondContact O-N 2.92Å; L19-K23 HydrophobicContact CD2-CD 4.45Å; L19-K23 WeakPolarHBondContact O-CG 3.49Å; L19-K23 PolarHBondContact O-N 3.01Å; L19-E136 WeakPolarHBondContact CD1-O 3.33Å; L19-F773 HydrophobicContact CB-CE1 4.18Å; L19-F773 HydrophobicContact CD1-CE1 3.68Å; L19-F773 HydrophobicContact CD1-CZ 3.79Å
20S97.4Very high96.1Very high77 Ų7756.2 Ų56.254%0.53828%0.281SS..Hα-helixtrans-63.4-39.8174-59.60000111.8E16 K17 V18 K23 K24E16-S20 WeakPolarHBondContact O-CB 3.42Å; E16-S20 PolarHBondContact O-N 3.42Å; E16-S20 PolarHBondContact O-OG 3.43Å; K17-S20 WeakPolarHBondContact O-CB 3.47Å; K17-S20 PolarHBondContact O-N 3.38Å; V18-S20 VanDerWaalsContact C-N 3.34Å; V18-S20 PolarHBondContact O-N 3.33Å; S20-K23 PolarHBondContact O-N 3.27Å; S20-K24 WeakPolarHBondContact O-CB 3.49Å; S20-K24 PolarHBondContact O-N 3.44Å
21L96.5Very high96.1Very high45 Ų4554.4 Ų54.424%0.23627%0.268CS..Hα-helixtrans-63.1-44.9173.3-179.866.8000111.4K17 V18 L19 K23 K24 L25 Q780K17-L21 PolarHBondContact O-N 2.92Å; V18-L21 WeakPolarHBondContact O-CB 3.26Å; V18-L21 PolarHBondContact O-N 3.25Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L21-K23 VanDerWaalsContact C-N 3.32Å; L21-K23 PolarHBondContact O-N 2.91Å; L21-K24 PolarHBondContact O-N 3.44Å; L21-L25 HydrophobicContact CD1-CD1 3.69Å; L21-L25 HydrophobicContact CD1-CG 4.02Å; L21-L25 HydrophobicContact CG-CD1 3.9Å; L21-L25 HydrophobicContact CG-CG 4.45Å; L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 WeakPolarHBondContact O-CG 3.37Å; L21-L25 PolarHBondContact O-N 3.14Å; L21-Q780 VanDerWaalsContact CD2-CD 3.48Å; L21-Q780 HydrophobicContact CD2-CG 3.88Å
22W97.2Very high95.9Very high15 Ų1555.2 Ų55.26%0.05727%0.273CS..Hα-helixtrans-60.8-40.4177.8-70.8-6.2000112.9V18 L19 D26 V27 W141 P772 F773 D776 H799V18-W22 HydrophobicContact CG1-CD2 4.13Å; V18-W22 VanDerWaalsContact CG1-CE2 3.47Å; V18-W22 HydrophobicContact CG1-CH2 4.3Å; V18-W22 HydrophobicContact CG1-CZ2 3.58Å; V18-W22 PolarHBondContact O-N 3.25Å; L19-W22 PolarHBondContact O-N 2.92Å; W22-D26 WeakPolarHBondContact O-CA 3.18Å; W22-D26 PolarHBondContact O-N 3.23Å; W22-V27 HydrophobicContact CB-CB 4.38Å; W22-V27 HydrophobicContact CB-CG2 4.18Å; W22-V27 HydrophobicContact CG-CB 4.37Å; W22-V27 HydrophobicContact CG-CG2 4.19Å; W22-V27 PolarHBondContact O-N 3.18Å; W22-V27 VanDerWaalsContact O-N 3.11Å; W22-W141 AromaticContact CD2-CZ2 3.88Å; W22-W141 HydrophobicContact CD2-CZ2 3.88Å; W22-W141 AromaticContact CE2-CZ2 3.96Å; W22-W141 HydrophobicContact CE3-CZ2 4.1Å; W22-W141 AromaticContact CE3-NE1 3.4Å; W22-W141 HydrophobicContact CG-CZ2 4.37Å; W22-W141 HydrophobicContact CZ2-CZ2 4.28Å; W22-W141 HydrophobicContact CZ3-CZ2 4.4Å; W22-W141 AromaticContact CZ3-NE1 3.63Å; W22-P772 HydrophobicContact CH2-CB 3.8Å; W22-P772 HydrophobicContact CH2-CG 4.27Å; W22-P772 HydrophobicContact CZ2-CB 4.3Å; W22-P772 WeakPolarHBondContact CZ2-O 3.26Å; W22-F773 HydrophobicContact CE3-CE1 4.23Å; W22-F773 AromaticContact CH2-CD1 3.7Å; W22-F773 HydrophobicContact CH2-CD1 3.7Å; W22-F773 AromaticContact CH2-CE1 3.73Å; W22-F773 HydrophobicContact CH2-CE1 3.73Å; W22-F773 HydrophobicContact CH2-CG 4.19Å; W22-F773 HydrophobicContact CH2-CZ 4.24Å; W22-F773 HydrophobicContact CZ2-CD1 4.32Å; W22-F773 AromaticContact CZ3-CD1 3.98Å; W22-F773 HydrophobicContact CZ3-CD1 3.98Å; W22-F773 AromaticContact CZ3-CE1 3.52Å; W22-F773 HydrophobicContact CZ3-CE1 3.52Å; W22-F773 AromaticContact CZ3-CZ 3.92Å; W22-F773 HydrophobicContact CZ3-CZ 3.92Å; W22-D776 HydrophobicContact CZ2-CB 4.35Å; W22-D776 PolarHBondContact NE1-OD2 2.86Å; W22-H799 AromaticContact CZ2-CD2 3.83Å; W22-H799 AromaticContact CZ2-NE2 3.5Å; W22-H799 WeakPolarHBondContact CZ2-NE2 3.31Å
23K95.2Very high95.9Very high129 Ų12960.4 Ų60.456%0.56129%0.294SS*.Hα-helixtrans-64.1-46.1174.3-73-178.4177.8-169.80111.4L19 S20 L21 L25 D26 E136L19-K23 HydrophobicContact CD2-CD 4.45Å; L19-K23 WeakPolarHBondContact O-CG 3.49Å; L19-K23 PolarHBondContact O-N 3.01Å; S20-K23 PolarHBondContact O-N 3.27Å; L21-K23 VanDerWaalsContact C-N 3.32Å; L21-K23 PolarHBondContact O-N 2.91Å; K23-L25 VanDerWaalsContact C-N 3.33Å; K23-L25 PolarHBondContact O-N 3.03Å; K23-D26 PolarHBondContact O-N 3.44Å; K23-E136 WeakPolarHBondContact CE-OE2 3.47Å; K23-E136 IonicContact NZ-OE2 3.83Å; K23-E136 PolarHBondContact NZ-OE2 2.78Å
24K96.8Very high95.7Very high176 Ų17661.2 Ų61.277%0.76529%0.292SS*.Hα-helixtrans-61.4-40.3178.3-178.5-178.8176-176.30112.7S20 L21S20-K24 WeakPolarHBondContact O-CB 3.49Å; S20-K24 PolarHBondContact O-N 3.44Å; L21-K24 PolarHBondContact O-N 3.44Å
25L95.3Very high95.6Very high54 Ų5459.2 Ų59.228%0.28328%0.283SS..Hα-helixtrans-91-2.3-177.7-66.3179.7000113.6L21 K23 V27 N30 P796L21-L25 HydrophobicContact CD1-CD1 3.69Å; L21-L25 HydrophobicContact CD1-CG 4.02Å; L21-L25 HydrophobicContact CG-CD1 3.9Å; L21-L25 HydrophobicContact CG-CG 4.45Å; L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 WeakPolarHBondContact O-CG 3.37Å; L21-L25 PolarHBondContact O-N 3.14Å; K23-L25 VanDerWaalsContact C-N 3.33Å; K23-L25 PolarHBondContact O-N 3.03Å; L25-V27 VanDerWaalsContact C-N 3.28Å; L25-V27 HydrophobicContact CB-CG2 3.67Å; L25-V27 HydrophobicContact CD1-CG2 4.46Å; L25-V27 PolarHBondContact O-N 3.08Å; L25-N30 PolarHBondContact O-ND2 3.28Å; L25-P796 HydrophobicContact CD1-CB 3.74Å
26D94.9Very high95.4Very high77 Ų7767.3 Ų67.341%0.41232%0.318SS..THydrogen-bonded Turntrans4651.1-174.5-171.319.5000112.5W22 K23 F28 S29 N30 K33W22-D26 WeakPolarHBondContact O-CA 3.18Å; W22-D26 PolarHBondContact O-N 3.23Å; K23-D26 PolarHBondContact O-N 3.44Å; D26-F28 PolarHBondContact O-N 2.92Å; D26-S29 PolarHBondContact O-N 3.39Å; D26-S29 WeakPolarHBondContact OD1-CB 3.43Å; D26-S29 WeakPolarHBondContact OD2-CB 3.5Å; D26-S29 PolarHBondContact OD2-OG 2.99Å; D26-N30 WeakPolarHBondContact O-CB 3.44Å; D26-N30 PolarHBondContact O-N 3.47Å; D26-N30 PolarHBondContact O-ND2 3.34Å; D26-K33 IonicContact OD2-NZ 3.77Å
27V95.6Very high95.2Very high1 Ų166.9 Ų66.91%0.00634%0.338CS..Hα-helixtrans-62.1-42.6-164.7179.80000112.1W22 L25 N30 C31 W141 Y800W22-V27 HydrophobicContact CB-CB 4.38Å; W22-V27 HydrophobicContact CB-CG2 4.18Å; W22-V27 HydrophobicContact CG-CB 4.37Å; W22-V27 HydrophobicContact CG-CG2 4.19Å; W22-V27 PolarHBondContact O-N 3.18Å; W22-V27 VanDerWaalsContact O-N 3.11Å; L25-V27 VanDerWaalsContact C-N 3.28Å; L25-V27 HydrophobicContact CB-CG2 3.67Å; L25-V27 HydrophobicContact CD1-CG2 4.46Å; L25-V27 PolarHBondContact O-N 3.08Å; V27-N30 PolarHBondContact O-N 2.9Å; V27-C31 PolarHBondContact O-N 2.98Å; V27-C31 PolarHBondContact O-SG 3.14Å; V27-W141 HydrophobicContact CB-CH2 4.22Å; V27-W141 HydrophobicContact CB-CZ2 4.11Å; V27-W141 HydrophobicContact CG1-CH2 3.3Å; V27-W141 HydrophobicContact CG1-CZ2 3.62Å; V27-W141 HydrophobicContact CG1-CZ3 4.23Å; V27-Y800 WeakPolarHBondContact CA-OH 3.47Å; V27-Y800 HydrophobicContact CB-CE1 4.38Å; V27-Y800 HydrophobicContact CG1-CD1 4.34Å; V27-Y800 HydrophobicContact CG1-CE1 3.58Å
28F95Very high95.1Very high39 Ų3964.4 Ų64.417%0.17133%0.325CS..Hα-helixtrans-64.1-48.1-178.9173-130000112.5D26 N30 C31 Q32 R81 W141 D143D26-F28 PolarHBondContact O-N 2.92Å; F28-N30 VanDerWaalsContact C-N 3.31Å; F28-N30 PolarHBondContact O-N 3.13Å; F28-C31 WeakPolarHBondContact O-CB 3.16Å; F28-C31 PolarHBondContact O-N 2.91Å; F28-Q32 HydrophobicContact CE2-CG 4.29Å; F28-Q32 PolarHBondContact O-N 3.36Å; F28-R81 HydrophobicContact CE2-CB 4.49Å; F28-R81 HydrophobicContact CZ-CB 4.15Å; F28-W141 HydrophobicContact CB-CB 4.4Å; F28-W141 HydrophobicContact CB-CD2 3.94Å; F28-W141 HydrophobicContact CB-CE3 4.32Å; F28-W141 HydrophobicContact CB-CG 3.98Å; F28-W141 HydrophobicContact CD2-CB 3.64Å; F28-W141 HydrophobicContact CD2-CD2 4.17Å; F28-W141 HydrophobicContact CD2-CE3 4.07Å; F28-W141 HydrophobicContact CD2-CG 4.04Å; F28-W141 HydrophobicContact CE2-CB 4.05Å; F28-W141 HydrophobicContact CG-CB 3.98Å; F28-W141 HydrophobicContact CG-CD2 4.36Å; F28-W141 HydrophobicContact CG-CG 4.1Å; F28-D143 HydrophobicContact CE1-CB 4.1Å
29S93.8Very high95Very high40 Ų4068.2 Ų68.228%0.2835%0.35SS..Hα-helixtrans-63.9-38.7177.1-172.60000111.4D26 C31 Q32 K33D26-S29 PolarHBondContact O-N 3.39Å; D26-S29 WeakPolarHBondContact OD1-CB 3.43Å; D26-S29 WeakPolarHBondContact OD2-CB 3.5Å; D26-S29 PolarHBondContact OD2-OG 2.99Å; S29-C31 VanDerWaalsContact C-N 3.34Å; S29-C31 PolarHBondContact O-N 3.03Å; S29-Q32 WeakPolarHBondContact O-CB 3.44Å; S29-Q32 PolarHBondContact O-N 2.98Å; S29-Q32 VanDerWaalsContact O-N 3.1Å; S29-K33 WeakPolarHBondContact O-CG 3.46Å; S29-K33 PolarHBondContact O-N 3.18Å; S29-K33 WeakPolarHBondContact OG-CE 3.34Å; S29-K33 PolarHBondContact OG-NZ 3.26Å
30N94.9Very high95Very high51 Ų5170 Ų7027%0.27336%0.362SS..Hα-helixtrans-65.4-34.2176-79-33000113L25 D26 V27 F28 Q32 K33 R34 Y800L25-N30 PolarHBondContact O-ND2 3.28Å; D26-N30 WeakPolarHBondContact O-CB 3.44Å; D26-N30 PolarHBondContact O-N 3.47Å; D26-N30 PolarHBondContact O-ND2 3.34Å; V27-N30 PolarHBondContact O-N 2.9Å; F28-N30 VanDerWaalsContact C-N 3.31Å; F28-N30 PolarHBondContact O-N 3.13Å; N30-Q32 VanDerWaalsContact C-N 3.33Å; N30-Q32 PolarHBondContact O-N 3.19Å; N30-K33 PolarHBondContact O-N 3.43Å; N30-R34 VanDerWaalsContact O-CB 3.31Å; N30-R34 WeakPolarHBondContact O-CB 3.24Å; N30-R34 VanDerWaalsContact O-CG 3.24Å; N30-R34 WeakPolarHBondContact O-CG 3.43Å; N30-R34 PolarHBondContact O-N 2.97Å; N30-Y800 HydrophobicContact CB-CE1 4.03Å; N30-Y800 WeakPolarHBondContact CB-OH 3.17Å
31C94.2Very high95Very high2 Ų267.5 Ų67.51%0.01434%0.341CS..Hα-helixtrans-58.8-44.7168.6-70.60000111.4V27 F28 S29 K33 R34 S35 Y73 Y800V27-C31 PolarHBondContact O-N 2.98Å; V27-C31 PolarHBondContact O-SG 3.14Å; F28-C31 WeakPolarHBondContact O-CB 3.16Å; F28-C31 PolarHBondContact O-N 2.91Å; S29-C31 VanDerWaalsContact C-N 3.34Å; S29-C31 PolarHBondContact O-N 3.03Å; C31-K33 PolarHBondContact O-N 3.29Å; C31-R34 PolarHBondContact O-N 3.22Å; C31-S35 PolarHBondContact O-N 3.42Å; C31-S35 PolarHBondContact O-OG 3.24Å; C31-Y73 HydrophobicContact CB-CD2 4.38Å; C31-Y73 HydrophobicContact CB-CE1 4.35Å; C31-Y73 HydrophobicContact CB-CE2 3.7Å; C31-Y73 VanDerWaalsContact O-CE2 3.27Å; C31-Y73 WeakPolarHBondContact O-CE2 3.44Å; C31-Y800 VanDerWaalsContact SG-CD1 3.54Å
32Q92.1Very high95Very high35 Ų3565.9 Ų65.916%0.16433%0.334CS..Hα-helixtrans-63.3-42.9177.8-61.3-63.815.100112.2F28 S29 N30 S35 K36 H78 V79F28-Q32 HydrophobicContact CE2-CG 4.29Å; F28-Q32 PolarHBondContact O-N 3.36Å; S29-Q32 WeakPolarHBondContact O-CB 3.44Å; S29-Q32 PolarHBondContact O-N 2.98Å; S29-Q32 VanDerWaalsContact O-N 3.1Å; N30-Q32 VanDerWaalsContact C-N 3.33Å; N30-Q32 PolarHBondContact O-N 3.19Å; Q32-S35 PolarHBondContact O-N 2.79Å; Q32-S35 PolarHBondContact O-OG 3.13Å; Q32-K36 PolarHBondContact O-N 3.08Å; Q32-H78 PolarHBondContact OE1-CE1 3.17Å; Q32-H78 VanDerWaalsContact OE1-CE1 3.31Å; Q32-V79 PolarHBondContact NE2-O 3.37Å; Q32-V79 PolarHBondContact OE1-O 3.49Å
33K94.6Very high95Very high121 Ų12166 Ų6653%0.52633%0.334SS..Hα-helixtrans-62.4-45.1176.2-66.2168.2-165.3159.20111.7D26 S29 N30 C31 S35 K36D26-K33 IonicContact OD2-NZ 3.77Å; S29-K33 WeakPolarHBondContact O-CG 3.46Å; S29-K33 PolarHBondContact O-N 3.18Å; S29-K33 WeakPolarHBondContact OG-CE 3.34Å; S29-K33 PolarHBondContact OG-NZ 3.26Å; N30-K33 PolarHBondContact O-N 3.43Å; C31-K33 PolarHBondContact O-N 3.29Å; K33-S35 VanDerWaalsContact C-N 3.34Å; K33-S35 PolarHBondContact O-N 2.98Å; K33-K36 WeakPolarHBondContact O-CB 3.16Å; K33-K36 PolarHBondContact O-N 3.34Å
34R93.2Very high95.1Very high132 Ų13260.2 Ų60.250%0.49831%0.309SS..Hα-helixtrans-67.4-30.3-178.9-76.1176.4126.6-113.2-0.4113.6N30 C31 Y800N30-R34 VanDerWaalsContact O-CB 3.31Å; N30-R34 WeakPolarHBondContact O-CB 3.24Å; N30-R34 VanDerWaalsContact O-CG 3.24Å; N30-R34 WeakPolarHBondContact O-CG 3.43Å; N30-R34 PolarHBondContact O-N 2.97Å; C31-R34 PolarHBondContact O-N 3.22Å; R34-Y800 PolarHBondContact NH1-O 3.01Å
35S94.8Very high95Very high0 Ų051.9 Ų51.90%027%0.273CS..Hα-helixtrans-87.6-5.217952.30000114C31 Q32 K33 G37 R38 H78C31-S35 PolarHBondContact O-N 3.42Å; C31-S35 PolarHBondContact O-OG 3.24Å; Q32-S35 PolarHBondContact O-N 2.79Å; Q32-S35 PolarHBondContact O-OG 3.13Å; K33-S35 VanDerWaalsContact C-N 3.34Å; K33-S35 PolarHBondContact O-N 2.98Å; S35-G37 PolarHBondContact O-N 3.39Å; S35-R38 WeakPolarHBondContact O-CB 3.1Å; S35-R38 VanDerWaalsContact O-CG 3.32Å; S35-R38 WeakPolarHBondContact O-CG 3.24Å; S35-R38 PolarHBondContact O-N 3.38Å; S35-H78 PolarHBondContact OG-ND1 3.47Å
36K93.2Very high94.8Very high178 Ų17849.6 Ų49.677%0.77426%0.263SS*.THydrogen-bonded Turntrans-58.1125.5-179.5-161.7172.2-173.9174.40110.7Q32 K33Q32-K36 PolarHBondContact O-N 3.08Å; K33-K36 WeakPolarHBondContact O-CB 3.16Å; K33-K36 PolarHBondContact O-N 3.34Å
37G93Very high94.7Very high83 Ų8346.6 Ų46.686%0.85625%0.247SC*.THydrogen-bonded Turntrans95-10.3-175.700000115S35S35-G37 PolarHBondContact O-N 3.39Å
38R95.3Very high94.5Very high66 Ų6647.5 Ų47.525%0.24925%0.253CS..SBendtrans-70.7159.3166-63.5-179.8-177.2-160-12.1110.4S35 T40 Y73 G76 H78 D802S35-R38 WeakPolarHBondContact O-CB 3.1Å; S35-R38 VanDerWaalsContact O-CG 3.32Å; S35-R38 WeakPolarHBondContact O-CG 3.24Å; S35-R38 PolarHBondContact O-N 3.38Å; R38-T40 PolarHBondContact O-N 2.89Å; R38-Y73 PolarHBondContact NH1-O 3.43Å; R38-G76 WeakPolarHBondContact CB-O 3.39Å; R38-G76 WeakPolarHBondContact CD-O 3.44Å; R38-H78 HydrophobicContact CB-CB 4.33Å; R38-D802 IonicContact CZ-OD1 3.31Å; R38-D802 IonicContact NH1-OD1 2.81Å; R38-D802 PolarHBondContact NH1-OD1 3.28Å; R38-D802 IonicContact NH2-OD1 3.28Å; R38-D802 PolarHBondContact NH2-OD1 3.36Å; R38-D802 IonicContact NH2-OD2 2.68Å
39P96Very high94Very high87 Ų8748.2 Ų48.257%0.56526%0.256SS*.PPolyproline II helixtrans-54.3135.6172.2-24.134.1000111.5F77 H78P39-F77 HydrophobicContact CB-CD1 4.01Å; P39-F77 HydrophobicContact CB-CE1 4.16Å; P39-F77 CarbonylContact O-C 3.55Å; P39-F77 WeakPolarHBondContact O-CA 3.02Å; P39-F77 WeakPolarHBondContact O-CD1 3.44Å; P39-H78 PolarHBondContact O-N 2.95Å
40T96Very high93.4Very high63 Ų6346.3 Ų46.339%0.38724%0.243SC..BIsolated β-bridgetrans-73.9140.8179-46.10000110.9R38 H78 N552R38-T40 PolarHBondContact O-N 2.89Å; T40-H78 CarbonylContact C-O 3.57Å; T40-H78 WeakPolarHBondContact CA-O 3.48Å; T40-N552 WeakPolarHBondContact CB-OD1 3.36Å; T40-N552 WeakPolarHBondContact CG2-OD1 3.45Å
41Y97.2Very high92.5Very high23 Ų2345.7 Ų45.79%0.0924%0.241CC..  trans-119.1109.5167.4-175.4-81.5000108.2A72 F77 H78 V79 D556 F557 Y712Y41-A72 HydrophobicContact CD1-CB 4.01Å; Y41-A72 HydrophobicContact CD2-CB 4.07Å; Y41-A72 HydrophobicContact CE1-CB 4.11Å; Y41-A72 HydrophobicContact CE2-CB 4.16Å; Y41-A72 HydrophobicContact CG-CB 3.97Å; Y41-F77 HydrophobicContact CD2-CD1 4.37Å; Y41-F77 HydrophobicContact CD2-CG 4.38Å; Y41-H78 PolarHBondContact N-O 3.34Å; Y41-V79 HydrophobicContact CD1-CG1 4.2Å; Y41-D556 WeakPolarHBondContact CA-OD2 3.44Å; Y41-D556 HydrophobicContact CD1-CB 4.21Å; Y41-D556 HydrophobicContact CD2-CB 3.96Å; Y41-D556 HydrophobicContact CE1-CB 4.07Å; Y41-D556 HydrophobicContact CE2-CB 3.81Å; Y41-D556 HydrophobicContact CG-CB 4.17Å; Y41-F557 HydrophobicContact CE1-CB 3.76Å; Y41-F557 WeakPolarHBondContact OH-CB 3.43Å; Y41-Y712 VanDerWaalsContact OH-CE1 3.28Å; Y41-Y712 WeakPolarHBondContact OH-CE1 3.5Å; Y41-Y712 PolarHBondContact OH-OH 3.44Å
42S96.3Very high91.9Very high11 Ų1146 Ų468%0.07725%0.245CC..  trans-82125.2-172.9-179.70000110.8N552 A555 D556 F557S42-N552 VanDerWaalsContact CB-O 3.27Å; S42-N552 WeakPolarHBondContact CB-O 3.28Å; S42-N552 PolarHBondContact OG-O 3.19Å; S42-A555 WeakPolarHBondContact OG-CA 3.4Å; S42-D556 PolarHBondContact N-OD2 2.94Å; S42-D556 WeakPolarHBondContact O-CA 3.44Å; S42-D556 WeakPolarHBondContact O-CB 3.41Å; S42-D556 PolarHBondContact O-N 3.44Å; S42-F557 PolarHBondContact O-N 3.03Å
43F97Very high91.6Very high17 Ų1747.1 Ų47.18%0.07525%0.252CS..BIsolated β-bridgetrans-127.9131.7-179.4157-111.2000109.6D45 K65 T69 R81 I142 F557F43-D45 HydrophobicContact CE1-CB 4.15Å; F43-D45 HydrophobicContact CZ-CB 3.89Å; F43-K65 HydrophobicContact CE2-CB 4.05Å; F43-K65 HydrophobicContact CE2-CD 3.89Å; F43-K65 HydrophobicContact CE2-CG 3.85Å; F43-K65 HydrophobicContact CZ-CB 3.96Å; F43-K65 HydrophobicContact CZ-CD 3.88Å; F43-K65 HydrophobicContact CZ-CG 4.08Å; F43-T69 HydrophobicContact CB-CG2 4.04Å; F43-T69 HydrophobicContact CD1-CG2 3.79Å; F43-T69 HydrophobicContact CD2-CG2 4.02Å; F43-T69 HydrophobicContact CE1-CG2 4.28Å; F43-T69 HydrophobicContact CE2-CG2 4.49Å; F43-T69 HydrophobicContact CG-CG2 3.65Å; F43-R81 HydrophobicContact CD1-CG 4.33Å; F43-I142 HydrophobicContact CE1-CD1 4.47Å; F43-F557 AromaticContact CD2-CD1 3.78Å; F43-F557 HydrophobicContact CD2-CD1 3.78Å; F43-F557 HydrophobicContact CD2-CE1 4.2Å; F43-F557 HydrophobicContact CE2-CD1 4.35Å; F43-F557 HydrophobicContact CE2-CE1 4.34Å
44Y97.1Very high91.4Very high9 Ų941.8 Ų41.84%0.03523%0.229CC..  trans-108.8129.4170.5-58.6-29.7000111.2M534 P535 Q538 A555 F557 I558Y44-M534 HydrophobicContact CD1-CE 4.08Å; Y44-M534 HydrophobicContact CD1-SD 4.18Å; Y44-M534 HydrophobicContact CG-CE 4.26Å; Y44-M534 HydrophobicContact CG-SD 4.01Å; Y44-P535 HydrophobicContact CD2-CB 4.29Å; Y44-P535 HydrophobicContact CD2-CG 4.01Å; Y44-P535 HydrophobicContact CE2-CB 3.51Å; Y44-P535 HydrophobicContact CE2-CG 3.65Å; Y44-Q538 VanDerWaalsContact CE1-NE2 3.26Å; Y44-A555 HydrophobicContact CD1-CB 4.19Å; Y44-A555 HydrophobicContact CD2-CB 3.52Å; Y44-A555 HydrophobicContact CE1-CB 4.13Å; Y44-A555 HydrophobicContact CE2-CB 3.45Å; Y44-A555 VanDerWaalsContact CE2-CB 3.45Å; Y44-A555 HydrophobicContact CG-CB 3.9Å; Y44-F557 PolarHBondContact N-O 3.26Å; Y44-I558 HydrophobicContact CD2-CG2 4.33Å; Y44-I558 HydrophobicContact CG-CG2 4.42Å
45D95.1Very high91.1Very high1 Ų138.4 Ų38.41%0.00522%0.219CC..  trans-83.3127.4171.3-158.325.7000109.5F43 P47 K65 R140 I142 Y148F43-D45 HydrophobicContact CE1-CB 4.15Å; F43-D45 HydrophobicContact CZ-CB 3.89Å; D45-P47 WeakPolarHBondContact O-CD 3.45Å; D45-K65 VanDerWaalsContact OD1-CD 3.23Å; D45-K65 WeakPolarHBondContact OD1-CD 3.49Å; D45-K65 VanDerWaalsContact OD1-CE 3.28Å; D45-K65 WeakPolarHBondContact OD1-CE 3.41Å; D45-K65 IonicContact OD1-NZ 3.76Å; D45-K65 PolarHBondContact OD1-NZ 2.92Å; D45-R140 IonicContact OD1-CZ 3.88Å; D45-R140 IonicContact OD1-NH2 3.38Å; D45-R140 PolarHBondContact OD1-NH2 2.77Å; D45-R140 IonicContact OD2-CZ 3.41Å; D45-R140 IonicContact OD2-NH1 2.88Å; D45-R140 IonicContact OD2-NH2 2.66Å; D45-R140 PolarHBondContact OD2-NH2 3.21Å; D45-I142 HydrophobicContact CB-CD1 4.36Å; D45-I142 VanDerWaalsContact OD2-CD1 3.32Å; D45-I142 WeakPolarHBondContact OD2-CD1 3.43Å; D45-Y148 PolarHBondContact O-OH 3.44Å
46G92.4Very high91.1Very high6 Ų638.4 Ų38.46%0.06222%0.219CC..  trans-68.1119.2168.400000108.6P48 E560 W568G46-P48 WeakPolarHBondContact O-CD 3.3Å; G46-E560 VanDerWaalsContact CA-OE1 3.26Å; G46-E560 WeakPolarHBondContact CA-OE1 3.43Å; G46-E560 PolarHBondContact N-OE1 3.48Å; G46-W568 VanDerWaalsContact CA-CH2 3.49Å
47P92.6Very high90.9Very high14 Ų1430.8 Ų30.89%0.09119%0.191CC..  trans-72.7115.1-173.528-32.8000110.3D45 D86 Y148D45-P47 WeakPolarHBondContact O-CD 3.45Å; P47-D86 HydrophobicContact CB-CB 4.26Å; P47-D86 HydrophobicContact CG-CB 4.39Å; P47-Y148 HydrophobicContact CB-CE2 4.12Å; P47-Y148 HydrophobicContact CG-CE2 4.46Å
48P90.6Very high90.8Very high20 Ų2030 Ų3013%0.1317%0.165CC..  trans-66.1153.917227.3-37.4000112G46 F83 G84 W85 D86 W131G46-P48 WeakPolarHBondContact O-CD 3.3Å; P48-F83 HydrophobicContact CG-CE1 3.73Å; P48-F83 HydrophobicContact CG-CZ 3.72Å; P48-G84 VanDerWaalsContact CD-O 3.27Å; P48-G84 WeakPolarHBondContact CD-O 3.4Å; P48-W85 HydrophobicContact CG-CE3 4.29Å; P48-W85 HydrophobicContact CG-CZ3 4.15Å; P48-D86 PolarHBondContact O-N 3.08Å; P48-W131 HydrophobicContact CB-CH2 3.57Å; P48-W131 HydrophobicContact CB-CZ2 4.11Å; P48-W131 HydrophobicContact CB-CZ3 4.05Å; P48-W131 HydrophobicContact CG-CE3 4.4Å; P48-W131 HydrophobicContact CG-CH2 3.84Å; P48-W131 HydrophobicContact CG-CZ3 3.78Å
49F83.9Confident90.8Very high54 Ų5427.1 Ų27.124%0.23715%0.154CC..BIsolated β-bridgetrans-69.1131169.3-70.5-69.8000111.1T51 D86 P91F49-T51 HydrophobicContact CB-CG2 4.12Å; F49-T51 PolarHBondContact O-N 3.06Å; F49-D86 WeakPolarHBondContact CA-O 3.25Å; F49-D86 HydrophobicContact CD1-CB 3.81Å; F49-D86 HydrophobicContact CE1-CB 3.9Å; F49-D86 VanDerWaalsContact CE1-OD2 3.29Å; F49-D86 WeakPolarHBondContact CE1-OD2 3.29Å; F49-D86 HydrophobicContact CG-CB 4.48Å; F49-P91 HydrophobicContact CD1-CB 4.03Å; F49-P91 HydrophobicContact CD1-CG 3.93Å; F49-P91 HydrophobicContact CD2-CG 4.39Å; F49-P91 HydrophobicContact CE1-CB 4.4Å; F49-P91 HydrophobicContact CE1-CG 3.79Å; F49-P91 HydrophobicContact CE2-CG 4.27Å; F49-P91 HydrophobicContact CG-CB 4.16Å; F49-P91 HydrophobicContact CG-CG 4.24Å; F49-P91 HydrophobicContact CZ-CG 3.98Å
50A81.5Confident90.8Very high0 Ų023 Ų230%013%0.127CC..THydrogen-bonded Turntrans-80.453.1176.300000112.6W85 D86 V124 Y127A50-W85 HydrophobicContact CB-CE3 3.69Å; A50-W85 HydrophobicContact CB-CZ3 3.94Å; A50-D86 PolarHBondContact N-O 3.29Å; A50-V124 HydrophobicContact CB-CB 4.14Å; A50-V124 HydrophobicContact CB-CG1 3.8Å; A50-V124 HydrophobicContact CB-CG2 4.15Å; A50-Y127 WeakPolarHBondContact O-CD2 3.39Å
51T76.7Confident90.7Very high38 Ų3820.1 Ų20.123%0.23311%0.111CC..THydrogen-bonded Turntrans-114.9-6.6-173.755.80000114.2F49 P91 V92 Y127F49-T51 HydrophobicContact CB-CG2 4.12Å; F49-T51 PolarHBondContact O-N 3.06Å; T51-P91 VanDerWaalsContact CG2-C 3.49Å; T51-P91 HydrophobicContact CG2-CB 3.86Å; T51-P91 WeakPolarHBondContact CG2-O 3.33Å; T51-V92 HydrophobicContact CG2-CB 4.34Å; T51-V92 HydrophobicContact CG2-CG2 3.64Å; T51-Y127 VanDerWaalsContact C-CD2 3.49Å; T51-Y127 WeakPolarHBondContact O-CE2 3.37Å
52G81.4Confident90.7Very high9 Ų919.3 Ų19.39%0.09311%0.109CC..SBendtrans177163.5176.400000113.3W131 K604G52-W131 PolarHBondContact O-NE1 3.1Å; G52-K604 VanDerWaalsContact C-NZ 3.3Å
53L86.7Confident90.8Very high58 Ų5818.9 Ų18.930%0.30411%0.106SC..  trans-46.5146.4171.3-57.8179000114.8Q130 I134 K604L53-Q130 HydrophobicContact CD2-CB 3.64Å; L53-Q130 HydrophobicContact CD2-CG 4.35Å; L53-Q130 VanDerWaalsContact CD2-OE1 3.25Å; L53-I134 HydrophobicContact CD2-CD1 3.97Å; L53-K604 WeakPolarHBondContact O-CE 3.49Å; L53-K604 PolarHBondContact O-NZ 2.83Å
54P89.6Confident90.8Very high9 Ų918.1 Ų18.16%0.05810%0.102CC..  trans-64.3152.3179.828-34.9000112.6H58 W131 I134P54-H58 WeakPolarHBondContact CA-ND1 3.38Å; P54-H58 HydrophobicContact CB-CB 3.98Å; P54-W131 HydrophobicContact CB-CD2 4.18Å; P54-W131 HydrophobicContact CB-CE3 4.26Å; P54-W131 HydrophobicContact CB-CH2 3.98Å; P54-W131 HydrophobicContact CB-CZ2 3.86Å; P54-W131 HydrophobicContact CB-CZ3 4.16Å; P54-W131 HydrophobicContact CG-CD2 4.22Å; P54-I134 HydrophobicContact CG-CB 4.02Å; P54-I134 HydrophobicContact CG-CD1 3.73Å; P54-I134 HydrophobicContact CG-CG1 4.47Å; P54-I134 HydrophobicContact CG-CG2 3.56Å
55H87.8Confident90.8Very high61 Ų6118 Ų1828%0.28210%0.102SC..  trans-124.1174173.758.345.4000109.3G57 H58 I59 Y609H55-G57 WeakPolarHBondContact ND1-CA 3.48Å; H55-G57 PolarHBondContact ND1-N 2.63Å; H55-G57 VanDerWaalsContact ND1-N 3.14Å; H55-G57 PolarHBondContact O-N 3.21Å; H55-H58 AromaticContact CD2-CE1 3.6Å; H55-H58 AromaticContact CD2-ND1 3.81Å; H55-H58 AromaticContact CE1-CD2 3.79Å; H55-H58 AromaticContact CE1-CE1 3.38Å; H55-H58 PolarHBondContact CE1-CE1 2.82Å; H55-H58 AromaticContact CE1-CG 3.74Å; H55-H58 AromaticContact CE1-ND1 3.5Å; H55-H58 PolarHBondContact CE1-ND1 2.99Å; H55-H58 AromaticContact CE1-NE2 3.55Å; H55-H58 AromaticContact CG-CE1 3.99Å; H55-H58 AromaticContact CG-ND1 3.72Å; H55-H58 PolarHBondContact N-ND1 3.35Å; H55-H58 AromaticContact ND1-CE1 3.86Å; H55-H58 AromaticContact ND1-CG 3.83Å; H55-H58 PolarHBondContact ND1-N 3.24Å; H55-H58 AromaticContact ND1-ND1 3.53Å; H55-H58 AromaticContact NE2-CE1 3.23Å; H55-H58 PolarHBondContact NE2-CE1 2.77Å; H55-H58 AromaticContact NE2-ND1 3.7Å; H55-H58 AromaticContact NE2-NE2 3.62Å; H55-H58 WeakPolarHBondContact O-CB 3.19Å; H55-H58 PolarHBondContact O-N 3.49Å; H55-I59 PolarHBondContact O-N 3.49Å; H55-I59 VanDerWaalsContact O-N 3.11Å; H55-Y609 HydrophobicContact CB-CE2 4.23Å
56Y92.9Very high90.9Very high0 Ų018 Ų180%010%0.102CC..Hα-helixtrans-54.6-29-175.4-60.8-70.3000115.2I59 L60 M602 Y609 P610 P612 V615 L624 F641Y56-I59 HydrophobicContact CD1-CD1 4.32Å; Y56-I59 PolarHBondContact O-N 3.27Å; Y56-L60 VanDerWaalsContact O-CB 3.29Å; Y56-L60 WeakPolarHBondContact O-CB 3.41Å; Y56-L60 PolarHBondContact O-N 3.13Å; Y56-M602 HydrophobicContact CD2-CE 4.4Å; Y56-M602 HydrophobicContact CD2-SD 3.86Å; Y56-Y609 HydrophobicContact CD2-CD2 4.18Å; Y56-Y609 AromaticContact CE2-CD2 3.89Å; Y56-Y609 HydrophobicContact CE2-CD2 3.89Å; Y56-P610 HydrophobicContact CE2-CG 4.37Å; Y56-P610 VanDerWaalsContact CE2-O 3.27Å; Y56-P610 WeakPolarHBondContact CE2-O 3.47Å; Y56-P610 PolarHBondContact OH-O 2.7Å; Y56-P612 HydrophobicContact CD1-CG 4.48Å; Y56-P612 HydrophobicContact CE1-CB 4.05Å; Y56-P612 HydrophobicContact CE1-CG 4.13Å; Y56-P612 HydrophobicContact CE2-CG 4.4Å; Y56-V615 VanDerWaalsContact OH-CG2 3.26Å; Y56-V615 WeakPolarHBondContact OH-CG2 3.41Å; Y56-L624 HydrophobicContact CD1-CD1 4.03Å; Y56-L624 HydrophobicContact CE1-CD1 3.83Å; Y56-L624 HydrophobicContact CE1-CD2 4.17Å; Y56-F641 AromaticContact CD1-CD2 3.93Å; Y56-F641 HydrophobicContact CD1-CD2 3.93Å; Y56-F641 AromaticContact CD1-CE2 3.48Å; Y56-F641 HydrophobicContact CD1-CE2 3.48Å; Y56-F641 VanDerWaalsContact CD1-CE2 3.48Å; Y56-F641 AromaticContact CD1-CZ 3.89Å; Y56-F641 HydrophobicContact CD1-CZ 3.89Å; Y56-F641 HydrophobicContact CD2-CD1 4.23Å; Y56-F641 HydrophobicContact CD2-CD2 4.02Å; Y56-F641 HydrophobicContact CD2-CE1 4.42Å; Y56-F641 HydrophobicContact CD2-CE2 4.21Å; Y56-F641 HydrophobicContact CD2-CG 4.04Å; Y56-F641 HydrophobicContact CD2-CZ 4.41Å; Y56-F641 HydrophobicContact CE1-CD2 4.19Å; Y56-F641 AromaticContact CE1-CE1 4Å; Y56-F641 HydrophobicContact CE1-CE1 4Å; Y56-F641 AromaticContact CE1-CE2 3.43Å; Y56-F641 HydrophobicContact CE1-CE2 3.43Å; Y56-F641 VanDerWaalsContact CE1-CE2 3.43Å; Y56-F641 AromaticContact CE1-CZ 3.31Å; Y56-F641 HydrophobicContact CE1-CZ 3.31Å; Y56-F641 AromaticContact CE2-CD1 3.86Å; Y56-F641 HydrophobicContact CE2-CD1 3.86Å; Y56-F641 HydrophobicContact CE2-CD2 4.28Å; Y56-F641 AromaticContact CE2-CE1 3.74Å; Y56-F641 HydrophobicContact CE2-CE1 3.74Å; Y56-F641 HydrophobicContact CE2-CE2 4.18Å; Y56-F641 HydrophobicContact CE2-CG 4.14Å; Y56-F641 AromaticContact CE2-CZ 3.91Å; Y56-F641 HydrophobicContact CE2-CZ 3.91Å; Y56-F641 AromaticContact CG-CD2 3.85Å; Y56-F641 HydrophobicContact CG-CD2 3.85Å; Y56-F641 AromaticContact CG-CE2 3.89Å; Y56-F641 HydrophobicContact CG-CE2 3.89Å; Y56-F641 HydrophobicContact CG-CG 4.34Å; Y56-F641 HydrophobicContact CG-CZ 4.41Å; Y56-F641 AromaticContact CZ-CE1 3.51Å; Y56-F641 AromaticContact CZ-CE2 3.81Å; Y56-F641 AromaticContact CZ-CZ 3.33Å
57G90.1Very high91.2Very high18 Ų1817.8 Ų17.819%0.18610%0.099CC..Hα-helixtrans-60.2-46.6170.100000114.1H55 I59 L60 A61H55-G57 WeakPolarHBondContact ND1-CA 3.48Å; H55-G57 PolarHBondContact ND1-N 2.63Å; H55-G57 VanDerWaalsContact ND1-N 3.14Å; H55-G57 PolarHBondContact O-N 3.21Å; G57-I59 VanDerWaalsContact C-N 3.35Å; G57-L60 PolarHBondContact O-N 2.92Å; G57-A61 PolarHBondContact O-N 3.32Å; G57-A61 VanDerWaalsContact O-N 3.12Å
58H91.2Very high91.4Very high66 Ų6617.3 Ų17.331%0.30610%0.097SC..Hα-helixtrans-66.5-38.6175.8-57135.6000111.4P54 H55 A61 G62 W131P54-H58 WeakPolarHBondContact CA-ND1 3.38Å; P54-H58 HydrophobicContact CB-CB 3.98Å; H55-H58 AromaticContact CD2-CE1 3.6Å; H55-H58 AromaticContact CD2-ND1 3.81Å; H55-H58 AromaticContact CE1-CD2 3.79Å; H55-H58 AromaticContact CE1-CE1 3.38Å; H55-H58 PolarHBondContact CE1-CE1 2.82Å; H55-H58 AromaticContact CE1-CG 3.74Å; H55-H58 AromaticContact CE1-ND1 3.5Å; H55-H58 PolarHBondContact CE1-ND1 2.99Å; H55-H58 AromaticContact CE1-NE2 3.55Å; H55-H58 AromaticContact CG-CE1 3.99Å; H55-H58 AromaticContact CG-ND1 3.72Å; H55-H58 PolarHBondContact N-ND1 3.35Å; H55-H58 AromaticContact ND1-CE1 3.86Å; H55-H58 AromaticContact ND1-CG 3.83Å; H55-H58 PolarHBondContact ND1-N 3.24Å; H55-H58 AromaticContact ND1-ND1 3.53Å; H55-H58 AromaticContact NE2-CE1 3.23Å; H55-H58 PolarHBondContact NE2-CE1 2.77Å; H55-H58 AromaticContact NE2-ND1 3.7Å; H55-H58 AromaticContact NE2-NE2 3.62Å; H55-H58 WeakPolarHBondContact O-CB 3.19Å; H55-H58 PolarHBondContact O-N 3.49Å; H58-A61 PolarHBondContact O-N 3.31Å; H58-G62 PolarHBondContact O-N 2.9Å; H58-W131 HydrophobicContact CB-CH2 3.68Å; H58-W131 HydrophobicContact CB-CZ3 4.19Å; H58-W131 AromaticContact CD2-CH2 3.92Å; H58-W131 AromaticContact CG-CH2 3.5Å; H58-W131 VanDerWaalsContact CG-CH2 3.5Å; H58-W131 AromaticContact ND1-CH2 3.66Å; H58-W131 AromaticContact ND1-CZ2 3.71Å
59I95.2Very high91.8Very high5 Ų516.5 Ų16.53%0.0269%0.091CC..Hα-helixtrans-65.1-43178.6-60.8176000110.5H55 Y56 G57 G62 T63 L138 P612 L624 L628H55-I59 PolarHBondContact O-N 3.49Å; H55-I59 VanDerWaalsContact O-N 3.11Å; Y56-I59 HydrophobicContact CD1-CD1 4.32Å; Y56-I59 PolarHBondContact O-N 3.27Å; G57-I59 VanDerWaalsContact C-N 3.35Å; I59-G62 PolarHBondContact O-N 2.95Å; I59-T63 VanDerWaalsContact O-CB 3.25Å; I59-T63 WeakPolarHBondContact O-CB 2.99Å; I59-T63 PolarHBondContact O-N 3.35Å; I59-T63 PolarHBondContact O-OG1 3.37Å; I59-L138 HydrophobicContact CB-CD1 4.35Å; I59-L138 HydrophobicContact CD1-CD1 4.01Å; I59-L138 HydrophobicContact CG1-CD1 3.72Å; I59-L138 HydrophobicContact CG2-CD1 3.95Å; I59-L138 HydrophobicContact CG2-CD2 4.01Å; I59-P612 HydrophobicContact CD1-CB 3.34Å; I59-P612 HydrophobicContact CD1-CG 3.73Å; I59-L624 HydrophobicContact CD1-CD2 4.39Å; I59-L624 HydrophobicContact CG2-CD2 4.3Å; I59-L628 HydrophobicContact CB-CD1 4.23Å; I59-L628 HydrophobicContact CG2-CD1 3.69Å
60L95.7Very high92.4Very high0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-60.1-53.3175.7170.264.2000111.5Y56 G57 G62 T63 I64 N591 V594 L628 V633 V634Y56-L60 VanDerWaalsContact O-CB 3.29Å; Y56-L60 WeakPolarHBondContact O-CB 3.41Å; Y56-L60 PolarHBondContact O-N 3.13Å; G57-L60 PolarHBondContact O-N 2.92Å; L60-G62 VanDerWaalsContact C-N 3.33Å; L60-G62 PolarHBondContact O-N 3.31Å; L60-T63 PolarHBondContact O-N 3.06Å; L60-I64 HydrophobicContact CD1-CD1 3.87Å; L60-I64 HydrophobicContact CD1-CG1 4.27Å; L60-I64 HydrophobicContact CG-CD1 4.16Å; L60-I64 WeakPolarHBondContact O-CG1 3.5Å; L60-I64 PolarHBondContact O-N 3.06Å; L60-N591 HydrophobicContact CD2-CB 3.93Å; L60-N591 HydrophobicContact CG-CB 4.25Å; L60-V594 HydrophobicContact CD2-CG2 3.83Å; L60-L628 HydrophobicContact CB-CD1 4.36Å; L60-L628 HydrophobicContact CD1-CB 4.01Å; L60-V633 HydrophobicContact CD1-CG2 3.71Å; L60-V633 HydrophobicContact CD2-CB 3.71Å; L60-V633 HydrophobicContact CD2-CG1 4.32Å; L60-V633 HydrophobicContact CD2-CG2 3.43Å; L60-V633 VanDerWaalsContact CD2-CG2 3.43Å; L60-V633 HydrophobicContact CG-CG2 4.23Å; L60-V634 HydrophobicContact CD1-CG1 4.46Å
61A94.9Very high93.1Very high4 Ų414.7 Ų14.73%0.0338%0.083CC..Hα-helixtrans-59.6-45.7178.700000111G57 H58 T63 I64 K65G57-A61 PolarHBondContact O-N 3.32Å; G57-A61 VanDerWaalsContact O-N 3.12Å; H58-A61 PolarHBondContact O-N 3.31Å; A61-T63 VanDerWaalsContact C-N 3.34Å; A61-T63 PolarHBondContact O-N 3.25Å; A61-I64 PolarHBondContact O-N 3.17Å; A61-K65 VanDerWaalsContact C-CE 3.49Å; A61-K65 WeakPolarHBondContact O-CB 3.28Å; A61-K65 VanDerWaalsContact O-CE 3.23Å; A61-K65 WeakPolarHBondContact O-CE 3.44Å; A61-K65 VanDerWaalsContact O-CG 3.28Å; A61-K65 WeakPolarHBondContact O-CG 3.36Å; A61-K65 PolarHBondContact O-N 3.25Å
62G96.4Very high94.1Very high5 Ų513.1 Ų13.15%0.0527%0.074CC..Hα-helixtrans-59.8-39.7175.300000113.5H58 I59 L60 K65 D66H58-G62 PolarHBondContact O-N 2.9Å; I59-G62 PolarHBondContact O-N 2.95Å; L60-G62 VanDerWaalsContact C-N 3.33Å; L60-G62 PolarHBondContact O-N 3.31Å; G62-K65 PolarHBondContact O-N 2.84Å; G62-D66 WeakPolarHBondContact O-CB 2.97Å; G62-D66 PolarHBondContact O-N 3.28Å
63T97.3Very high94.9Very high3 Ų312.9 Ų12.92%0.0187%0.07CC..Hα-helixtrans-67-44.5178.5-60.40000111.3I59 L60 A61 K65 D66 I67 R625 I629I59-T63 VanDerWaalsContact O-CB 3.25Å; I59-T63 WeakPolarHBondContact O-CB 2.99Å; I59-T63 PolarHBondContact O-N 3.35Å; I59-T63 PolarHBondContact O-OG1 3.37Å; L60-T63 PolarHBondContact O-N 3.06Å; A61-T63 VanDerWaalsContact C-N 3.34Å; A61-T63 PolarHBondContact O-N 3.25Å; T63-K65 VanDerWaalsContact C-N 3.35Å; T63-K65 PolarHBondContact O-N 3.16Å; T63-D66 PolarHBondContact O-N 2.96Å; T63-I67 HydrophobicContact CG2-CD1 3.71Å; T63-I67 HydrophobicContact CG2-CG1 4.41Å; T63-I67 WeakPolarHBondContact O-CB 3.43Å; T63-I67 WeakPolarHBondContact O-CD1 3.07Å; T63-I67 WeakPolarHBondContact O-CG1 3.29Å; T63-I67 PolarHBondContact O-N 3.46Å; T63-R625 HydrophobicContact CG2-CB 3.84Å; T63-R625 HydrophobicContact CG2-CG 3.86Å; T63-I629 HydrophobicContact CG2-CG2 3.78Å
64I97.1Very high95.3Very high0 Ų010.2 Ų10.20%06%0.056CC..Hα-helixtrans-60.2-47.3175.6-68167.3000110.2L60 A61 D66 I67 V68 F557 A559 I589 N591 V634 L714L60-I64 HydrophobicContact CD1-CD1 3.87Å; L60-I64 HydrophobicContact CD1-CG1 4.27Å; L60-I64 HydrophobicContact CG-CD1 4.16Å; L60-I64 WeakPolarHBondContact O-CG1 3.5Å; L60-I64 PolarHBondContact O-N 3.06Å; A61-I64 PolarHBondContact O-N 3.17Å; I64-D66 VanDerWaalsContact C-N 3.34Å; I64-D66 PolarHBondContact O-N 3.21Å; I64-I67 PolarHBondContact O-N 3.2Å; I64-V68 WeakPolarHBondContact O-CG2 3.45Å; I64-V68 PolarHBondContact O-N 2.9Å; I64-F557 HydrophobicContact CG2-CZ 4.28Å; I64-A559 HydrophobicContact CG2-CB 3.83Å; I64-I589 HydrophobicContact CD1-CG2 4.47Å; I64-I589 HydrophobicContact CG2-CB 4.34Å; I64-I589 HydrophobicContact CG2-CD1 3.96Å; I64-I589 HydrophobicContact CG2-CG2 4.04Å; I64-N591 HydrophobicContact CD1-CB 3.71Å; I64-V634 HydrophobicContact CD1-CG1 4.11Å; I64-V634 HydrophobicContact CG1-CG1 4.41Å; I64-L714 HydrophobicContact CG1-CD2 4.4Å; I64-L714 HydrophobicContact CG2-CD2 4.17Å
65K97.9Very high95.6Very high8 Ų811.4 Ų11.44%0.0356%0.062CC..Hα-helixtrans-60.5-42.6179.1-71.3-179.7-77.8-175.70111.9F43 D45 A61 G62 T63 T69 A559 E560F43-K65 HydrophobicContact CE2-CB 4.05Å; F43-K65 HydrophobicContact CE2-CD 3.89Å; F43-K65 HydrophobicContact CE2-CG 3.85Å; F43-K65 HydrophobicContact CZ-CB 3.96Å; F43-K65 HydrophobicContact CZ-CD 3.88Å; F43-K65 HydrophobicContact CZ-CG 4.08Å; D45-K65 VanDerWaalsContact OD1-CD 3.23Å; D45-K65 WeakPolarHBondContact OD1-CD 3.49Å; D45-K65 VanDerWaalsContact OD1-CE 3.28Å; D45-K65 WeakPolarHBondContact OD1-CE 3.41Å; D45-K65 IonicContact OD1-NZ 3.76Å; D45-K65 PolarHBondContact OD1-NZ 2.92Å; A61-K65 VanDerWaalsContact C-CE 3.49Å; A61-K65 WeakPolarHBondContact O-CB 3.28Å; A61-K65 VanDerWaalsContact O-CE 3.23Å; A61-K65 WeakPolarHBondContact O-CE 3.44Å; A61-K65 VanDerWaalsContact O-CG 3.28Å; A61-K65 WeakPolarHBondContact O-CG 3.36Å; A61-K65 PolarHBondContact O-N 3.25Å; G62-K65 PolarHBondContact O-N 2.84Å; T63-K65 VanDerWaalsContact C-N 3.35Å; T63-K65 PolarHBondContact O-N 3.16Å; K65-T69 WeakPolarHBondContact O-CB 3.45Å; K65-T69 VanDerWaalsContact O-CG2 3.24Å; K65-T69 WeakPolarHBondContact O-CG2 3.08Å; K65-T69 PolarHBondContact O-N 2.88Å; K65-T69 VanDerWaalsContact O-N 3.15Å; K65-T69 PolarHBondContact O-OG1 2.83Å; K65-A559 WeakPolarHBondContact CD-O 3.23Å; K65-A559 HydrophobicContact CG-CB 4.02Å; K65-E560 IonicContact NZ-OE1 3.16Å; K65-E560 PolarHBondContact NZ-OE1 2.95Å
66D98.1Very high95.9Very high1 Ų19.7 Ų9.71%0.0056%0.061CC..Hα-helixtrans-66.3-44.9176.6-172.164.9000112.5G62 T63 I64 V68 T69 R70 R140 W141 R625G62-D66 WeakPolarHBondContact O-CB 2.97Å; G62-D66 PolarHBondContact O-N 3.28Å; T63-D66 PolarHBondContact O-N 2.96Å; I64-D66 VanDerWaalsContact C-N 3.34Å; I64-D66 PolarHBondContact O-N 3.21Å; D66-V68 PolarHBondContact O-N 3.18Å; D66-T69 PolarHBondContact O-N 3.32Å; D66-T69 PolarHBondContact O-OG1 3.09Å; D66-R70 VanDerWaalsContact CG-NE 3.32Å; D66-R70 VanDerWaalsContact O-CB 3.3Å; D66-R70 WeakPolarHBondContact O-CB 3.49Å; D66-R70 VanDerWaalsContact O-CG 3.27Å; D66-R70 WeakPolarHBondContact O-CG 3.39Å; D66-R70 PolarHBondContact O-N 2.67Å; D66-R70 IonicContact OD1-CZ 3.23Å; D66-R70 IonicContact OD1-NE 2.76Å; D66-R70 PolarHBondContact OD1-NE 3.04Å; D66-R70 IonicContact OD1-NH2 2.74Å; D66-R70 WeakPolarHBondContact OD2-CD 3.29Å; D66-R70 IonicContact OD2-CZ 3.09Å; D66-R70 IonicContact OD2-NE 2.81Å; D66-R70 PolarHBondContact OD2-NE 2.89Å; D66-R70 IonicContact OD2-NH2 2.74Å; D66-R140 HydrophobicContact CB-CB 4.27Å; D66-R140 HydrophobicContact CB-CG 4.1Å; D66-R140 WeakPolarHBondContact OD1-CA 3.33Å; D66-W141 PolarHBondContact OD1-N 3.11Å; D66-R625 IonicContact OD2-CZ 2.95Å; D66-R625 VanDerWaalsContact OD2-CZ 3.26Å; D66-R625 IonicContact OD2-NH1 3.62Å; D66-R625 PolarHBondContact OD2-NH1 2.93Å; D66-R625 IonicContact OD2-NH2 3.99Å; D66-R625 PolarHBondContact OD2-NH2 2.92Å
67I97.6Very high96.1Very high0 Ų012.8 Ų12.80%07%0.074CC..Hα-helixtrans-59.1-50.9178.9-71.7162.8000111T63 I64 T69 R70 F71 I629 M709 L714 P769 F770T63-I67 HydrophobicContact CG2-CD1 3.71Å; T63-I67 HydrophobicContact CG2-CG1 4.41Å; T63-I67 WeakPolarHBondContact O-CB 3.43Å; T63-I67 WeakPolarHBondContact O-CD1 3.07Å; T63-I67 WeakPolarHBondContact O-CG1 3.29Å; T63-I67 PolarHBondContact O-N 3.46Å; I64-I67 PolarHBondContact O-N 3.2Å; I67-T69 PolarHBondContact O-N 2.99Å; I67-R70 PolarHBondContact O-N 3.33Å; I67-F71 VanDerWaalsContact O-CB 3.24Å; I67-F71 WeakPolarHBondContact O-CB 3.47Å; I67-F71 PolarHBondContact O-N 2.85Å; I67-I629 HydrophobicContact CD1-CD1 3.53Å; I67-I629 HydrophobicContact CD1-CG2 3.83Å; I67-M709 HydrophobicContact CG2-CE 3.83Å; I67-L714 HydrophobicContact CB-CD2 4.48Å; I67-L714 HydrophobicContact CG2-CD2 4.11Å; I67-P769 VanDerWaalsContact CG1-O 3.26Å; I67-P769 WeakPolarHBondContact CG1-O 3.45Å; I67-P769 HydrophobicContact CG2-CB 4.29Å; I67-F770 HydrophobicContact CD1-CD1 4.03Å; I67-F770 HydrophobicContact CG1-CD1 4.27Å; I67-F770 HydrophobicContact CG2-CD1 3.84Å; I67-F770 HydrophobicContact CG2-CE1 3.56Å; I67-F770 HydrophobicContact CG2-CZ 4.11Å
68V97.4Very high96.5Very high5 Ų513.8 Ų13.83%0.037%0.074CC..Hα-helixtrans-65.7-41-176.4175.10000110.9I64 D66 F71 A72 F557 I589 M709 Y712 L714I64-V68 WeakPolarHBondContact O-CG2 3.45Å; I64-V68 PolarHBondContact O-N 2.9Å; D66-V68 PolarHBondContact O-N 3.18Å; V68-F71 PolarHBondContact O-N 3.12Å; V68-A72 WeakPolarHBondContact O-CB 3.44Å; V68-A72 PolarHBondContact O-N 2.86Å; V68-F557 HydrophobicContact CB-CD1 4.05Å; V68-F557 HydrophobicContact CB-CE1 3.55Å; V68-F557 HydrophobicContact CB-CE2 4.47Å; V68-F557 HydrophobicContact CB-CZ 3.77Å; V68-F557 HydrophobicContact CG1-CD1 3.54Å; V68-F557 HydrophobicContact CG1-CD2 4.15Å; V68-F557 HydrophobicContact CG1-CE1 3.57Å; V68-F557 HydrophobicContact CG1-CE2 4.17Å; V68-F557 HydrophobicContact CG1-CG 3.83Å; V68-F557 HydrophobicContact CG1-CZ 3.88Å; V68-F557 HydrophobicContact CG2-CE1 4.04Å; V68-F557 HydrophobicContact CG2-CE2 4.22Å; V68-F557 HydrophobicContact CG2-CZ 3.7Å; V68-I589 HydrophobicContact CG2-CD1 3.98Å; V68-M709 HydrophobicContact CG2-CE 4.35Å; V68-Y712 HydrophobicContact CG1-CD1 4.33Å; V68-Y712 HydrophobicContact CG1-CE1 4.02Å; V68-L714 HydrophobicContact CG2-CD1 4.04Å; V68-L714 HydrophobicContact CG2-CD2 4.41Å
69T97.6Very high96.7Very high2 Ų210.7 Ų10.71%0.0126%0.06CC..Hα-helixtrans-74.3-33.4-179.456.30000113.2F43 K65 D66 I67 Y73 V79 R81F43-T69 HydrophobicContact CB-CG2 4.04Å; F43-T69 HydrophobicContact CD1-CG2 3.79Å; F43-T69 HydrophobicContact CD2-CG2 4.02Å; F43-T69 HydrophobicContact CE1-CG2 4.28Å; F43-T69 HydrophobicContact CE2-CG2 4.49Å; F43-T69 HydrophobicContact CG-CG2 3.65Å; K65-T69 WeakPolarHBondContact O-CB 3.45Å; K65-T69 VanDerWaalsContact O-CG2 3.24Å; K65-T69 WeakPolarHBondContact O-CG2 3.08Å; K65-T69 PolarHBondContact O-N 2.88Å; K65-T69 VanDerWaalsContact O-N 3.15Å; K65-T69 PolarHBondContact O-OG1 2.83Å; D66-T69 PolarHBondContact O-N 3.32Å; D66-T69 PolarHBondContact O-OG1 3.09Å; I67-T69 PolarHBondContact O-N 2.99Å; T69-Y73 WeakPolarHBondContact O-CB 3.48Å; T69-Y73 PolarHBondContact O-N 2.97Å; T69-Y73 VanDerWaalsContact O-N 3.09Å; T69-V79 HydrophobicContact CG2-CG1 3.9Å; T69-R81 HydrophobicContact CG2-CG 4.41Å; T69-R81 PolarHBondContact O-NH2 3.31Å
70R97.4Very high96.7Very high3 Ų312.8 Ų12.81%0.0117%0.069CC..Hα-helixtrans-64.2-47.2168.4-75.1179.5-175.7-86.8-1.3111D66 I67 A72 Y73 Q74 G139 W141 P769 H799D66-R70 VanDerWaalsContact CG-NE 3.32Å; D66-R70 VanDerWaalsContact O-CB 3.3Å; D66-R70 WeakPolarHBondContact O-CB 3.49Å; D66-R70 VanDerWaalsContact O-CG 3.27Å; D66-R70 WeakPolarHBondContact O-CG 3.39Å; D66-R70 PolarHBondContact O-N 2.67Å; D66-R70 IonicContact OD1-CZ 3.23Å; D66-R70 IonicContact OD1-NE 2.76Å; D66-R70 PolarHBondContact OD1-NE 3.04Å; D66-R70 IonicContact OD1-NH2 2.74Å; D66-R70 WeakPolarHBondContact OD2-CD 3.29Å; D66-R70 IonicContact OD2-CZ 3.09Å; D66-R70 IonicContact OD2-NE 2.81Å; D66-R70 PolarHBondContact OD2-NE 2.89Å; D66-R70 IonicContact OD2-NH2 2.74Å; I67-R70 PolarHBondContact O-N 3.33Å; R70-A72 PolarHBondContact O-N 3.1Å; R70-Y73 PolarHBondContact O-N 2.92Å; R70-Q74 WeakPolarHBondContact O-CG 3.29Å; R70-Q74 PolarHBondContact O-N 2.94Å; R70-G139 PolarHBondContact NH2-O 2.9Å; R70-W141 VanDerWaalsContact CZ-CD2 3.48Å; R70-W141 VanDerWaalsContact NH1-CD2 3.34Å; R70-P769 HydrophobicContact CB-CB 4Å; R70-P769 HydrophobicContact CB-CG 4.42Å; R70-H799 PolarHBondContact NH1-CE1 2.84Å; R70-H799 PolarHBondContact NH1-ND1 2.85Å; R70-H799 VanDerWaalsContact NH1-ND1 3.18Å
71F97Very high96.7Very high13 Ų1313 Ų136%0.0577%0.07CC..Hα-helixtrans-57.6-48.6177-179.8-85000111.4I67 V68 Y73 Q74 D75 M709 P769 L803I67-F71 VanDerWaalsContact O-CB 3.24Å; I67-F71 WeakPolarHBondContact O-CB 3.47Å; I67-F71 PolarHBondContact O-N 2.85Å; V68-F71 PolarHBondContact O-N 3.12Å; F71-Y73 PolarHBondContact O-N 2.62Å; F71-Q74 CarbonylContact O-C 3.58Å; F71-Q74 PolarHBondContact O-N 3.47Å; F71-D75 HydrophobicContact CE1-CB 4.31Å; F71-D75 WeakPolarHBondContact O-CB 3.38Å; F71-D75 PolarHBondContact O-N 3.38Å; F71-M709 HydrophobicContact CB-CE 4.02Å; F71-M709 HydrophobicContact CD1-CB 4.01Å; F71-M709 HydrophobicContact CD1-CE 4.46Å; F71-M709 HydrophobicContact CD2-CB 3.86Å; F71-M709 HydrophobicContact CD2-CE 4.18Å; F71-M709 HydrophobicContact CD2-CG 3.83Å; F71-M709 HydrophobicContact CE1-CB 3.65Å; F71-M709 HydrophobicContact CE2-CB 3.47Å; F71-M709 VanDerWaalsContact CE2-CB 3.47Å; F71-M709 HydrophobicContact CE2-CG 3.7Å; F71-M709 HydrophobicContact CG-CB 4.13Å; F71-M709 HydrophobicContact CG-CE 3.96Å; F71-M709 HydrophobicContact CG-CG 4.37Å; F71-M709 HydrophobicContact CZ-CB 3.38Å; F71-M709 HydrophobicContact CZ-CG 4.16Å; F71-P769 HydrophobicContact CB-CB 4.45Å; F71-P769 HydrophobicContact CB-CG 4.31Å; F71-L803 HydrophobicContact CD1-CD1 4.49Å; F71-L803 HydrophobicContact CD2-CD1 3.48Å; F71-L803 VanDerWaalsContact CD2-CD1 3.48Å; F71-L803 HydrophobicContact CE1-CD1 4.32Å; F71-L803 HydrophobicContact CE2-CD1 3.28Å; F71-L803 HydrophobicContact CG-CD1 4.09Å; F71-L803 HydrophobicContact CZ-CD1 3.72Å
72A97.1Very high96.7Very high5 Ų514.2 Ų14.24%0.0417%0.074CC..Hα-helixtrans-61.3-41.6178.300000112.4Y41 V68 R70 Q74 D75 G76 F77 V79Y41-A72 HydrophobicContact CD1-CB 4.01Å; Y41-A72 HydrophobicContact CD2-CB 4.07Å; Y41-A72 HydrophobicContact CE1-CB 4.11Å; Y41-A72 HydrophobicContact CE2-CB 4.16Å; Y41-A72 HydrophobicContact CG-CB 3.97Å; V68-A72 WeakPolarHBondContact O-CB 3.44Å; V68-A72 PolarHBondContact O-N 2.86Å; R70-A72 PolarHBondContact O-N 3.1Å; A72-Q74 PolarHBondContact O-N 3.45Å; A72-D75 PolarHBondContact O-N 2.8Å; A72-G76 PolarHBondContact O-N 3.13Å; A72-F77 WeakPolarHBondContact O-CB 3.46Å; A72-F77 WeakPolarHBondContact O-CD2 3.13Å; A72-F77 PolarHBondContact O-N 2.83Å; A72-F77 VanDerWaalsContact O-N 3.15Å; A72-V79 HydrophobicContact CB-CG2 3.89Å
73Y97.3Very high96.7Very high4 Ų414 Ų142%0.0167%0.071CC..Hα-helixtrans-59.5-47.8175.2166.2-89.5000111.7C31 R38 T69 R70 F71 D75 G76 H799C31-Y73 HydrophobicContact CB-CD2 4.38Å; C31-Y73 HydrophobicContact CB-CE1 4.35Å; C31-Y73 HydrophobicContact CB-CE2 3.7Å; C31-Y73 VanDerWaalsContact O-CE2 3.27Å; C31-Y73 WeakPolarHBondContact O-CE2 3.44Å; R38-Y73 PolarHBondContact NH1-O 3.43Å; T69-Y73 WeakPolarHBondContact O-CB 3.48Å; T69-Y73 PolarHBondContact O-N 2.97Å; T69-Y73 VanDerWaalsContact O-N 3.09Å; R70-Y73 PolarHBondContact O-N 2.92Å; F71-Y73 PolarHBondContact O-N 2.62Å; Y73-D75 VanDerWaalsContact C-N 3.26Å; Y73-D75 PolarHBondContact O-N 3.42Å; Y73-G76 PolarHBondContact O-N 2.92Å; Y73-G76 VanDerWaalsContact O-N 3.12Å; Y73-H799 WeakPolarHBondContact CE1-O 3.4Å
74Q95.7Very high96.5Very high3 Ų313.9 Ų13.91%0.0147%0.071CC..Hα-helixtrans-74.1-15.4179.3-60.7-176.2-78.300112.8R70 F71 A72 P769 L801 D802 L803R70-Q74 WeakPolarHBondContact O-CG 3.29Å; R70-Q74 PolarHBondContact O-N 2.94Å; F71-Q74 CarbonylContact O-C 3.58Å; F71-Q74 PolarHBondContact O-N 3.47Å; A72-Q74 PolarHBondContact O-N 3.45Å; Q74-P769 VanDerWaalsContact OE1-CG 3.24Å; Q74-L801 WeakPolarHBondContact CG-O 3.41Å; Q74-L801 PolarHBondContact NE2-O 3.13Å; Q74-D802 CarbonylContact O-C 3.6Å; Q74-D802 VanDerWaalsContact O-CA 3.25Å; Q74-D802 WeakPolarHBondContact O-CA 3.38Å; Q74-D802 WeakPolarHBondContact O-CB 3.39Å; Q74-L803 HydrophobicContact CB-CD1 4.28Å; Q74-L803 HydrophobicContact CB-CD2 4.47Å; Q74-L803 HydrophobicContact CB-CG 3.71Å; Q74-L803 PolarHBondContact O-N 3Å
75D95Very high96.4Very high34 Ų3413.9 Ų13.918%0.1827%0.071CC..THydrogen-bonded Turntrans-85.29.2169.7-156.139.6000112.7F71 A72 Y73 F77 R706 K710 L803F71-D75 HydrophobicContact CE1-CB 4.31Å; F71-D75 WeakPolarHBondContact O-CB 3.38Å; F71-D75 PolarHBondContact O-N 3.38Å; A72-D75 PolarHBondContact O-N 2.8Å; Y73-D75 VanDerWaalsContact C-N 3.26Å; Y73-D75 PolarHBondContact O-N 3.42Å; D75-F77 HydrophobicContact CB-CD2 4.43Å; D75-R706 IonicContact OD1-CZ 2.71Å; D75-R706 IonicContact OD1-NH1 3.52Å; D75-R706 IonicContact OD1-NH2 3.31Å; D75-R706 PolarHBondContact OD1-NH2 3.12Å; D75-K710 WeakPolarHBondContact OD2-CE 3.28Å; D75-K710 IonicContact OD2-NZ 3.35Å; D75-L803 HydrophobicContact CB-CD1 4.3Å
76G95.3Very high96.1Very high24 Ų2413.6 Ų13.625%0.2477%0.07CC..THydrogen-bonded Turntrans98.416.817100000115.5R38 A72 Y73R38-G76 WeakPolarHBondContact CB-O 3.39Å; R38-G76 WeakPolarHBondContact CD-O 3.44Å; A72-G76 PolarHBondContact O-N 3.13Å; Y73-G76 PolarHBondContact O-N 2.92Å; Y73-G76 VanDerWaalsContact O-N 3.12Å
77F97.2Very high95.9Very high65 Ų6513.6 Ų13.629%0.2857%0.069SC..  trans-100.4156.5177.6-65.7-93.1000113.2P39 Y41 A72 D75 V79P39-F77 HydrophobicContact CB-CD1 4.01Å; P39-F77 HydrophobicContact CB-CE1 4.16Å; P39-F77 CarbonylContact O-C 3.55Å; P39-F77 WeakPolarHBondContact O-CA 3.02Å; P39-F77 WeakPolarHBondContact O-CD1 3.44Å; Y41-F77 HydrophobicContact CD2-CD1 4.37Å; Y41-F77 HydrophobicContact CD2-CG 4.38Å; A72-F77 WeakPolarHBondContact O-CB 3.46Å; A72-F77 WeakPolarHBondContact O-CD2 3.13Å; A72-F77 PolarHBondContact O-N 2.83Å; A72-F77 VanDerWaalsContact O-N 3.15Å; D75-F77 HydrophobicContact CB-CD2 4.43Å; F77-V79 HydrophobicContact CB-CG2 4.17Å
78H97.2Very high95.6Very high40 Ų4013.6 Ų13.619%0.1857%0.069CC..BIsolated β-bridgetrans-87.7121161.5-176.460.8000109.1Q32 S35 R38 P39 T40 Y41Q32-H78 PolarHBondContact OE1-CE1 3.17Å; Q32-H78 VanDerWaalsContact OE1-CE1 3.31Å; S35-H78 PolarHBondContact OG-ND1 3.47Å; R38-H78 HydrophobicContact CB-CB 4.33Å; P39-H78 PolarHBondContact O-N 2.95Å; T40-H78 CarbonylContact C-O 3.57Å; T40-H78 WeakPolarHBondContact CA-O 3.48Å; Y41-H78 PolarHBondContact N-O 3.34Å
79V97Very high94.9Very high0 Ų013.8 Ų13.80%07%0.072CC..  trans-124.997.7-173.2-165.50000109.7Q32 Y41 T69 A72 F77 R81Q32-V79 PolarHBondContact NE2-O 3.37Å; Q32-V79 PolarHBondContact OE1-O 3.49Å; Y41-V79 HydrophobicContact CD1-CG1 4.2Å; T69-V79 HydrophobicContact CG2-CG1 3.9Å; A72-V79 HydrophobicContact CB-CG2 3.89Å; F77-V79 HydrophobicContact CB-CG2 4.17Å; V79-R81 HydrophobicContact CG1-CG 4.19Å
80E94.5Very high93.9Very high49 Ų4916.5 Ų16.523%0.2299%0.087CC..  trans-72.3135.1172.5-166.4-178.6168.800110.5R82 R539E80-R82 HydrophobicContact CG-CG 4.21Å; E80-R82 WeakPolarHBondContact OE1-CD 3.42Å; E80-R539 VanDerWaalsContact CD-NH2 3.25Å; E80-R539 IonicContact OE1-CZ 3.73Å; E80-R539 IonicContact OE1-NH1 3.62Å; E80-R539 PolarHBondContact OE1-NH1 2.74Å; E80-R539 IonicContact OE1-NH2 2.69Å; E80-R539 PolarHBondContact OE1-NH2 3.4Å; E80-R539 IonicContact OE2-CZ 3Å; E80-R539 VanDerWaalsContact OE2-CZ 3.3Å; E80-R539 IonicContact OE2-NH1 3.86Å; E80-R539 PolarHBondContact OE2-NH1 3.03Å; E80-R539 VanDerWaalsContact OE2-NH1 3.11Å; E80-R539 IonicContact OE2-NH2 2.91Å; E80-R539 PolarHBondContact OE2-NH2 2.98Å
81R96.2Very high93.1Very high5 Ų518.4 Ų18.42%0.01910%0.1CC..  trans-133.694.2-174.5-56.3168.6-155.5168.9-2.4108.5F28 F43 T69 V79 W141 I142 D143F28-R81 HydrophobicContact CE2-CB 4.49Å; F28-R81 HydrophobicContact CZ-CB 4.15Å; F43-R81 HydrophobicContact CD1-CG 4.33Å; T69-R81 HydrophobicContact CG2-CG 4.41Å; T69-R81 PolarHBondContact O-NH2 3.31Å; V79-R81 HydrophobicContact CG1-CG 4.19Å; R81-W141 VanDerWaalsContact CD-O 3.25Å; R81-W141 WeakPolarHBondContact CD-O 3.2Å; R81-I142 HydrophobicContact CB-CG1 4.2Å; R81-D143 VanDerWaalsContact O-CB 3.23Å; R81-D143 WeakPolarHBondContact O-CB 3.18Å; R81-D143 PolarHBondContact O-N 2.74Å
82R94.5Very high92.5Very high30 Ų3017.9 Ų17.911%0.11310%0.097CC..EExtended strand (participates in β ladder)trans-104.2131.6178.1-66.2179.963.7-165.70.8110.1E80 N146 D147 Y148 Q538E80-R82 HydrophobicContact CG-CG 4.21Å; E80-R82 WeakPolarHBondContact OE1-CD 3.42Å; R82-N146 PolarHBondContact NE-O 2.77Å; R82-N146 PolarHBondContact NH2-O 3.17Å; R82-N146 PolarHBondContact NH2-OD1 3.39Å; R82-D147 PolarHBondContact NH2-O 2.84Å; R82-Y148 HydrophobicContact CB-CD1 4.47Å; R82-Q538 PolarHBondContact NH1-O 3.21Å
83F95.6Very high91.9Very high0 Ų017.6 Ų17.60%010%0.095CC..EExtended strand (participates in β ladder)trans-73.3147.5175.6-158.9-83.4000110.1P48 W85 W131 V135 R140 I142 D143 F144 D147 Y148P48-F83 HydrophobicContact CG-CE1 3.73Å; P48-F83 HydrophobicContact CG-CZ 3.72Å; F83-W85 AromaticContact CD1-CD1 3.91Å; F83-W85 HydrophobicContact CD1-CD2 4.1Å; F83-W85 AromaticContact CD1-CE2 3.55Å; F83-W85 HydrophobicContact CD1-CG 4.35Å; F83-W85 AromaticContact CD1-CZ2 3.92Å; F83-W85 HydrophobicContact CD1-CZ2 3.92Å; F83-W85 AromaticContact CD1-NE1 3.43Å; F83-W85 AromaticContact CE1-CD2 3.77Å; F83-W85 HydrophobicContact CE1-CD2 3.77Å; F83-W85 AromaticContact CE1-CE2 3.36Å; F83-W85 HydrophobicContact CE1-CE3 4.12Å; F83-W85 HydrophobicContact CE1-CG 4.42Å; F83-W85 AromaticContact CE1-CH2 3.8Å; F83-W85 HydrophobicContact CE1-CH2 3.8Å; F83-W85 AromaticContact CE1-CZ2 3.39Å; F83-W85 HydrophobicContact CE1-CZ2 3.39Å; F83-W85 HydrophobicContact CE1-CZ3 4.14Å; F83-W85 AromaticContact CE1-NE1 3.78Å; F83-W85 HydrophobicContact CZ-CH2 4.24Å; F83-W85 HydrophobicContact CZ-CZ2 4.07Å; F83-W131 AromaticContact CZ-CE3 3.81Å; F83-W131 HydrophobicContact CZ-CE3 3.81Å; F83-W131 HydrophobicContact CZ-CZ3 4.09Å; F83-V135 HydrophobicContact CE2-CG2 4.41Å; F83-R140 VanDerWaalsContact CE2-NH1 3.32Å; F83-I142 HydrophobicContact CB-CD1 4.1Å; F83-I142 HydrophobicContact CB-CG1 3.99Å; F83-I142 HydrophobicContact CD2-CD1 3.85Å; F83-I142 HydrophobicContact CD2-CG1 4.21Å; F83-I142 HydrophobicContact CD2-CG2 3.7Å; F83-I142 HydrophobicContact CE2-CG2 4.49Å; F83-I142 HydrophobicContact CG-CD1 4.36Å; F83-D143 WeakPolarHBondContact CB-O 3.48Å; F83-D143 PolarHBondContact N-O 3.39Å; F83-F144 HydrophobicContact CB-CD1 4.22Å; F83-F144 HydrophobicContact CB-CE1 4.24Å; F83-F144 HydrophobicContact CD1-CD1 4.42Å; F83-F144 AromaticContact CD1-CE1 3.87Å; F83-F144 HydrophobicContact CD1-CE1 3.87Å; F83-F144 HydrophobicContact CD1-CZ 4.47Å; F83-F144 HydrophobicContact CD2-CD1 4.42Å; F83-F144 AromaticContact CD2-CE1 3.63Å; F83-F144 HydrophobicContact CD2-CE1 3.63Å; F83-F144 HydrophobicContact CD2-CE2 4.02Å; F83-F144 AromaticContact CD2-CZ 3.41Å; F83-F144 HydrophobicContact CD2-CZ 3.41Å; F83-F144 VanDerWaalsContact CD2-CZ 3.41Å; F83-F144 HydrophobicContact CE1-CE1 4.12Å; F83-F144 AromaticContact CE2-CE1 3.86Å; F83-F144 HydrophobicContact CE2-CE1 3.86Å; F83-F144 HydrophobicContact CE2-CE2 4.42Å; F83-F144 AromaticContact CE2-CZ 3.52Å; F83-F144 HydrophobicContact CE2-CZ 3.52Å; F83-F144 HydrophobicContact CG-CD1 4.11Å; F83-F144 AromaticContact CG-CE1 3.64Å; F83-F144 HydrophobicContact CG-CE1 3.64Å; F83-F144 AromaticContact CG-CZ 3.92Å; F83-F144 HydrophobicContact CG-CZ 3.92Å; F83-F144 HydrophobicContact CZ-CE1 4.11Å; F83-F144 HydrophobicContact CZ-CZ 4.15Å; F83-D147 HydrophobicContact CB-CB 4.16Å; F83-D147 WeakPolarHBondContact O-CA 3.43Å; F83-D147 VanDerWaalsContact O-CB 3.3Å; F83-D147 WeakPolarHBondContact O-CB 3.47Å; F83-Y148 VanDerWaalsContact O-CD1 3.25Å; F83-Y148 WeakPolarHBondContact O-CD1 3.5Å; F83-Y148 WeakPolarHBondContact O-CE1 3.48Å; F83-Y148 PolarHBondContact O-N 2.83Å
84G94.2Very high91.2Very high0 Ų021 Ų210%011%0.108CC..EExtended strand (participates in β ladder)trans-117146.3178.100000114.1P48 Y148P48-G84 VanDerWaalsContact CD-O 3.27Å; P48-G84 WeakPolarHBondContact CD-O 3.4Å; G84-Y148 CarbonylContact C-O 3.59Å; G84-Y148 VanDerWaalsContact CA-CE2 3.44Å; G84-Y148 WeakPolarHBondContact CA-O 3.48Å; G84-Y148 VanDerWaalsContact CA-OH 3.3Å; G84-Y148 WeakPolarHBondContact CA-OH 3.36Å
85W94.4Very high90.5Very high0 Ų024 Ų240%012%0.123CC..EExtended strand (participates in β ladder)trans-128.2125.4172.6-66.2101.3000113.1P48 A50 F83 C87 S128 W131 F144 D147 Y148 K149 T150P48-W85 HydrophobicContact CG-CE3 4.29Å; P48-W85 HydrophobicContact CG-CZ3 4.15Å; A50-W85 HydrophobicContact CB-CE3 3.69Å; A50-W85 HydrophobicContact CB-CZ3 3.94Å; F83-W85 AromaticContact CD1-CD1 3.91Å; F83-W85 HydrophobicContact CD1-CD2 4.1Å; F83-W85 AromaticContact CD1-CE2 3.55Å; F83-W85 HydrophobicContact CD1-CG 4.35Å; F83-W85 AromaticContact CD1-CZ2 3.92Å; F83-W85 HydrophobicContact CD1-CZ2 3.92Å; F83-W85 AromaticContact CD1-NE1 3.43Å; F83-W85 AromaticContact CE1-CD2 3.77Å; F83-W85 HydrophobicContact CE1-CD2 3.77Å; F83-W85 AromaticContact CE1-CE2 3.36Å; F83-W85 HydrophobicContact CE1-CE3 4.12Å; F83-W85 HydrophobicContact CE1-CG 4.42Å; F83-W85 AromaticContact CE1-CH2 3.8Å; F83-W85 HydrophobicContact CE1-CH2 3.8Å; F83-W85 AromaticContact CE1-CZ2 3.39Å; F83-W85 HydrophobicContact CE1-CZ2 3.39Å; F83-W85 HydrophobicContact CE1-CZ3 4.14Å; F83-W85 AromaticContact CE1-NE1 3.78Å; F83-W85 HydrophobicContact CZ-CH2 4.24Å; F83-W85 HydrophobicContact CZ-CZ2 4.07Å; W85-C87 WeakPolarHBondContact CB-SG 3.41Å; W85-C87 PolarHBondContact O-N 2.71Å; W85-S128 VanDerWaalsContact CZ2-CA 3.45Å; W85-S128 PolarHBondContact NE1-OG 2.89Å; W85-W131 HydrophobicContact CH2-CB 3.49Å; W85-W131 VanDerWaalsContact CH2-CB 3.49Å; W85-W131 AromaticContact CH2-CD1 3.93Å; W85-W131 AromaticContact CH2-CD2 3.79Å; W85-W131 HydrophobicContact CH2-CD2 3.79Å; W85-W131 HydrophobicContact CH2-CE3 4.24Å; W85-W131 AromaticContact CH2-CG 3.49Å; W85-W131 HydrophobicContact CH2-CG 3.49Å; W85-W131 VanDerWaalsContact CH2-CG 3.49Å; W85-W131 HydrophobicContact CZ2-CB 3.95Å; W85-W131 HydrophobicContact CZ2-CG 4.41Å; W85-W131 HydrophobicContact CZ3-CD2 4.29Å; W85-W131 HydrophobicContact CZ3-CG 4.27Å; W85-F144 AromaticContact CZ2-CE1 3.99Å; W85-F144 HydrophobicContact CZ2-CE1 3.99Å; W85-D147 PolarHBondContact NE1-OD2 3.29Å; W85-D147 VanDerWaalsContact NE1-OD2 3.14Å; W85-Y148 PolarHBondContact N-O 2.88Å; W85-K149 HydrophobicContact CB-CB 4.39Å; W85-K149 HydrophobicContact CB-CG 3.99Å; W85-K149 HydrophobicContact CG-CG 4.25Å; W85-T150 PolarHBondContact O-N 3.13Å; W85-T150 VanDerWaalsContact O-N 3.16Å; W85-T150 PolarHBondContact O-OG1 3.23Å
86D92.5Very high90.1Very high3 Ų322.7 Ų22.72%0.01612%0.116CC..BIsolated β-bridgetrans-89.9103.1166.3-159.5-20.2000107.4P47 P48 F49 A50P47-D86 HydrophobicContact CB-CB 4.26Å; P47-D86 HydrophobicContact CG-CB 4.39Å; P48-D86 PolarHBondContact O-N 3.08Å; F49-D86 WeakPolarHBondContact CA-O 3.25Å; F49-D86 HydrophobicContact CD1-CB 3.81Å; F49-D86 HydrophobicContact CE1-CB 3.9Å; F49-D86 VanDerWaalsContact CE1-OD2 3.29Å; F49-D86 WeakPolarHBondContact CE1-OD2 3.29Å; F49-D86 HydrophobicContact CG-CB 4.48Å; A50-D86 PolarHBondContact N-O 3.29Å
87C93.8Very high89.6Confident0 Ų021.9 Ų21.90%011%0.106CC..  trans-103.6-10.3-166.5-59.60000112.2W85 V124 T150 L151 W464W85-C87 WeakPolarHBondContact CB-SG 3.41Å; W85-C87 PolarHBondContact O-N 2.71Å; C87-V124 HydrophobicContact CB-CG1 3.91Å; C87-V124 HydrophobicContact CB-CG2 4.19Å; C87-V124 VanDerWaalsContact SG-CG1 3.54Å; C87-T150 WeakPolarHBondContact CB-OG1 3.44Å; C87-T150 PolarHBondContact N-OG1 3.03Å; C87-L151 HydrophobicContact CB-CB 4.15Å; C87-L151 HydrophobicContact CB-CD2 3.74Å; C87-L151 HydrophobicContact CB-CG 4.11Å; C87-W464 PolarHBondContact O-NE1 3.37Å
88H90.1Very high88.8Confident0 Ų025.2 Ų25.20%012%0.12CC..  trans-112.3171.5-169.5-71157.4000112.9T150 L151 W464 H500 E530H88-T150 PolarHBondContact CE1-O 3.1Å; H88-T150 VanDerWaalsContact CE1-O 3.29Å; H88-L151 WeakPolarHBondContact NE2-CA 3.29Å; H88-L151 WeakPolarHBondContact NE2-CB 3.35Å; H88-W464 AromaticContact CD2-CE2 3.61Å; H88-W464 AromaticContact CD2-CZ2 3.88Å; H88-W464 AromaticContact CD2-NE1 3.6Å; H88-H500 AromaticContact CE1-NE2 3.79Å; H88-H500 AromaticContact NE2-CD2 3.87Å; H88-H500 AromaticContact NE2-CE1 3.91Å; H88-H500 AromaticContact NE2-NE2 3.01Å; H88-H500 PolarHBondContact NE2-NE2 2.96Å; H88-E530 VanDerWaalsContact CB-OE2 3.31Å; H88-E530 WeakPolarHBondContact CB-OE2 3.48Å; H88-E530 IonicContact CE1-OE2 2.59Å; H88-E530 IonicContact CG-OE1 2.74Å; H88-E530 IonicContact CG-OE2 3.39Å; H88-E530 VanDerWaalsContact ND1-CD 3.3Å; H88-E530 IonicContact ND1-OE1 3.67Å; H88-E530 PolarHBondContact ND1-OE1 2.88Å; H88-E530 VanDerWaalsContact ND1-OE1 3.16Å; H88-E530 IonicContact ND1-OE2 2.68Å; H88-E530 PolarHBondContact ND1-OE2 3.2Å
89G84Confident88.3Confident9 Ų927 Ų279%0.09314%0.141CC..SBendtrans83.8-171167.800000115P91 V92 E93 W464G89-P91 VanDerWaalsContact C-CD 3.42Å; G89-V92 PolarHBondContact O-N 3.46Å; G89-E93 PolarHBondContact O-N 3.28Å; G89-W464 PolarHBondContact N-O 3.09Å
90L76.3Confident87.9Confident59 Ų5930.5 Ų30.531%0.30916%0.16SC..Hα-helixtrans-56.5-38.3-168.2-173.564.3000114.6V92 E93 Y94L90-V92 VanDerWaalsContact C-N 3.32Å; L90-V92 PolarHBondContact O-N 3.06Å; L90-E93 PolarHBondContact O-N 3.04Å; L90-Y94 WeakPolarHBondContact O-CB 3.31Å; L90-Y94 PolarHBondContact O-N 3.22Å
91P80Confident87.5Confident44 Ų4432.3 Ų32.329%0.28618%0.178SC..Hα-helixtrans-59.6-39.8-179.9-27.538000113.6F49 T51 G89F49-P91 HydrophobicContact CD1-CB 4.03Å; F49-P91 HydrophobicContact CD1-CG 3.93Å; F49-P91 HydrophobicContact CD2-CG 4.39Å; F49-P91 HydrophobicContact CE1-CB 4.4Å; F49-P91 HydrophobicContact CE1-CG 3.79Å; F49-P91 HydrophobicContact CE2-CG 4.27Å; F49-P91 HydrophobicContact CG-CB 4.16Å; F49-P91 HydrophobicContact CG-CG 4.24Å; F49-P91 HydrophobicContact CZ-CG 3.98Å; T51-P91 VanDerWaalsContact CG2-C 3.49Å; T51-P91 HydrophobicContact CG2-CB 3.86Å; T51-P91 WeakPolarHBondContact CG2-O 3.33Å; G89-P91 VanDerWaalsContact C-CD 3.42Å
92V85.1Confident86.7Confident1 Ų132.8 Ų32.81%0.00618%0.18CC..Hα-helixtrans-75.8-48.4179.5176.90000110.5T51 G89 L90 Y94 E95 I96 C120 I123 V124T51-V92 HydrophobicContact CG2-CB 4.34Å; T51-V92 HydrophobicContact CG2-CG2 3.64Å; G89-V92 PolarHBondContact O-N 3.46Å; L90-V92 VanDerWaalsContact C-N 3.32Å; L90-V92 PolarHBondContact O-N 3.06Å; V92-Y94 PolarHBondContact O-N 3.12Å; V92-E95 PolarHBondContact O-N 3.39Å; V92-I96 PolarHBondContact O-N 3.34Å; V92-C120 HydrophobicContact CG1-CB 4.17Å; V92-I123 HydrophobicContact CG1-CG2 3.8Å; V92-V124 HydrophobicContact CG1-CG2 4.03Å; V92-V124 HydrophobicContact CG2-CG2 4.23Å
93E84.6Confident85.6Confident0 Ų038 Ų380%020%0.204CC..Hα-helixtrans-60-33.1177.7-71.2-173.8136.600112.4G89 L90 I96 D97 Y116 R462 Y463 W464G89-E93 PolarHBondContact O-N 3.28Å; L90-E93 PolarHBondContact O-N 3.04Å; E93-I96 PolarHBondContact O-N 3.23Å; E93-D97 VanDerWaalsContact O-CB 3.27Å; E93-D97 WeakPolarHBondContact O-CB 3.32Å; E93-D97 VanDerWaalsContact O-CG 3.27Å; E93-D97 PolarHBondContact O-N 2.8Å; E93-Y116 WeakPolarHBondContact CB-OH 3.49Å; E93-Y116 HydrophobicContact CG-CE1 4Å; E93-Y116 PolarHBondContact O-OH 2.96Å; E93-R462 VanDerWaalsContact CB-NH2 3.31Å; E93-R462 IonicContact OE2-CZ 3.9Å; E93-R462 IonicContact OE2-NE 3.1Å; E93-R462 PolarHBondContact OE2-NE 2.74Å; E93-R462 IonicContact OE2-NH2 2.66Å; E93-R462 PolarHBondContact OE2-NH2 3.15Å; E93-Y463 PolarHBondContact OE1-N 3.26Å; E93-W464 HydrophobicContact CG-CB 3.66Å; E93-W464 PolarHBondContact OE1-N 3.46Å
94Y81.3Confident84.4Confident75 Ų7538.5 Ų38.529%0.29421%0.209SC..Hα-helixtrans-65.4-40.7178.2-179.1-99.5000112.6L90 V92 I96 K98 W402L90-Y94 WeakPolarHBondContact O-CB 3.31Å; L90-Y94 PolarHBondContact O-N 3.22Å; V92-Y94 PolarHBondContact O-N 3.12Å; Y94-I96 VanDerWaalsContact C-N 3.35Å; Y94-K98 WeakPolarHBondContact O-CB 3.46Å; Y94-K98 PolarHBondContact O-N 3.22Å; Y94-W402 HydrophobicContact CE2-CZ2 4.46Å
95E80.8Confident83.5Confident66 Ų6640.1 Ų40.131%0.30822%0.219SC..Hα-helixtrans-68.7-36.4176.5-68.6-59.914100111.3V92 K98 A99 I123V92-E95 PolarHBondContact O-N 3.39Å; E95-K98 PolarHBondContact O-N 3.15Å; E95-A99 WeakPolarHBondContact O-CB 3.5Å; E95-A99 PolarHBondContact O-N 3.28Å; E95-I123 HydrophobicContact CB-CD1 4.03Å
96I87.7Confident82.7Confident7 Ų746 Ų464%0.03625%0.247CC..Hα-helixtrans-69.3-44174.1-65.5-61.7000111.7V92 E93 Y94 K98 A99 L100 Y116 E119 I123V92-I96 PolarHBondContact O-N 3.34Å; E93-I96 PolarHBondContact O-N 3.23Å; Y94-I96 VanDerWaalsContact C-N 3.35Å; I96-K98 PolarHBondContact O-N 3.46Å; I96-A99 PolarHBondContact O-N 3.04Å; I96-A99 VanDerWaalsContact O-N 3.12Å; I96-L100 HydrophobicContact CG2-CD1 3.69Å; I96-L100 HydrophobicContact CG2-CG 4.26Å; I96-L100 WeakPolarHBondContact O-CB 3.43Å; I96-L100 PolarHBondContact O-N 2.95Å; I96-Y116 HydrophobicContact CG2-CD2 4.32Å; I96-Y116 HydrophobicContact CG2-CE2 3.88Å; I96-E119 HydrophobicContact CD1-CB 4.27Å; I96-E119 HydrophobicContact CG2-CB 4.34Å; I96-I123 HydrophobicContact CD1-CB 3.96Å; I96-I123 HydrophobicContact CD1-CD1 4.04Å; I96-I123 HydrophobicContact CD1-CG2 3.7Å; I96-I123 HydrophobicContact CG1-CG2 3.99Å
97D84.2Confident82.3Confident7 Ų748.1 Ų48.14%0.03726%0.258CS..Hα-helixtrans-55.2-41.6175.6-83.43.8000109.9E93 S101 I102 Y116 R403 R462E93-D97 VanDerWaalsContact O-CB 3.27Å; E93-D97 WeakPolarHBondContact O-CB 3.32Å; E93-D97 VanDerWaalsContact O-CG 3.27Å; E93-D97 PolarHBondContact O-N 2.8Å; D97-S101 CarbonylContact O-C 3.5Å; D97-S101 VanDerWaalsContact O-CA 3.23Å; D97-S101 WeakPolarHBondContact O-CA 3.36Å; D97-S101 PolarHBondContact O-N 3.5Å; D97-I102 HydrophobicContact CB-CB 4.21Å; D97-I102 PolarHBondContact O-N 3.31Å; D97-Y116 WeakPolarHBondContact OD1-CE2 3.4Å; D97-Y116 PolarHBondContact OD1-OH 2.98Å; D97-R403 IonicContact OD2-CZ 2.99Å; D97-R403 IonicContact OD2-NH1 3.92Å; D97-R403 PolarHBondContact OD2-NH1 3.1Å; D97-R403 VanDerWaalsContact OD2-NH1 3.08Å; D97-R403 IonicContact OD2-NH2 3.21Å; D97-R403 PolarHBondContact OD2-NH2 2.99Å; D97-R403 VanDerWaalsContact OD2-NH2 3.08Å; D97-R462 IonicContact OD2-NH2 2.76Å
98K82Confident81.9Confident135 Ų13548.2 Ų48.259%0.58726%0.259SS*.Hα-helixtrans-71.3-42.4177.1-171.6-179.1175-168.50112.9Y94 E95 I96 S101Y94-K98 WeakPolarHBondContact O-CB 3.46Å; Y94-K98 PolarHBondContact O-N 3.22Å; E95-K98 PolarHBondContact O-N 3.15Å; I96-K98 PolarHBondContact O-N 3.46Å; K98-S101 PolarHBondContact O-N 3.44Å
99A85.8Confident81.6Confident77 Ų7755.6 Ų55.664%0.63629%0.293SS*.Hα-helixtrans-67.1-39.3-17900000112.3E95 I96E95-A99 WeakPolarHBondContact O-CB 3.5Å; E95-A99 PolarHBondContact O-N 3.28Å; I96-A99 PolarHBondContact O-N 3.04Å; I96-A99 VanDerWaalsContact O-N 3.12Å
100L88.5Confident81.8Confident74 Ų7462.9 Ų62.939%0.38732%0.322SS..THydrogen-bonded Turntrans-95.31.1-179.5-61-180000113.3I96 I102 L111 E119I96-L100 HydrophobicContact CG2-CD1 3.69Å; I96-L100 HydrophobicContact CG2-CG 4.26Å; I96-L100 WeakPolarHBondContact O-CB 3.43Å; I96-L100 PolarHBondContact O-N 2.95Å; L100-I102 VanDerWaalsContact C-N 3.27Å; L100-I102 HydrophobicContact CB-CD1 4.32Å; L100-I102 HydrophobicContact CB-CG1 3.82Å; L100-I102 PolarHBondContact O-N 3.47Å; L100-L111 HydrophobicContact CD1-CD2 4.05Å; L100-E119 HydrophobicContact CD1-CB 4.23Å; L100-E119 HydrophobicContact CD1-CG 4.1Å
101S85.2Confident82.5Confident87 Ų8763.1 Ų63.161%0.60832%0.324SS*.THydrogen-bonded Turntrans54.238.9-176.9-590000114D97 K98 K103D97-S101 CarbonylContact O-C 3.5Å; D97-S101 VanDerWaalsContact O-CA 3.23Å; D97-S101 WeakPolarHBondContact O-CA 3.36Å; D97-S101 PolarHBondContact O-N 3.5Å; K98-S101 PolarHBondContact O-N 3.44Å; S101-K103 PolarHBondContact O-N 2.78Å
102I80.2Confident83.1Confident14 Ų1462.2 Ų62.27%0.07232%0.322CS..  trans-71.6116.5179.1-59.9-81.6000109.3D97 L100 D107 V108 L111 Y116D97-I102 HydrophobicContact CB-CB 4.21Å; D97-I102 PolarHBondContact O-N 3.31Å; L100-I102 VanDerWaalsContact C-N 3.27Å; L100-I102 HydrophobicContact CB-CD1 4.32Å; L100-I102 HydrophobicContact CB-CG1 3.82Å; L100-I102 PolarHBondContact O-N 3.47Å; I102-D107 HydrophobicContact CD1-CB 4.07Å; I102-D107 HydrophobicContact CG2-CB 4.18Å; I102-V108 HydrophobicContact CD1-CG2 4.41Å; I102-V108 HydrophobicContact CG2-CG2 3.59Å; I102-L111 HydrophobicContact CD1-CD2 4.34Å; I102-Y116 HydrophobicContact CD1-CD2 4.33Å; I102-Y116 HydrophobicContact CD1-CE2 4.39Å; I102-Y116 HydrophobicContact CG1-CD2 4.49Å; I102-Y116 HydrophobicContact CG1-CE2 4.09Å
103K70.6Confident83.5Confident141 Ų14164.4 Ų64.461%0.61333%0.333SS*.  trans-96.7-13.4-177.5-58.3-178.2-176.7178.90113.2S101 D107 R403S101-K103 PolarHBondContact O-N 2.78Å; K103-D107 WeakPolarHBondContact CA-OD2 3.36Å; K103-D107 WeakPolarHBondContact CB-OD2 3.43Å; K103-D107 PolarHBondContact N-OD2 2.6Å; K103-R403 WeakPolarHBondContact O-CB 3.48Å; K103-R403 WeakPolarHBondContact O-CD 3.49Å
104G70.4Confident83.9Confident10 Ų1066.8 Ų66.810%0.10335%0.354CS..SBendtrans176.2-173.2177.300000114.2Q106 D107 V108G104-Q106 VanDerWaalsContact C-N 3.26Å; G104-Q106 PolarHBondContact O-N 3.36Å; G104-D107 PolarHBondContact O-N 3.25Å; G104-V108 PolarHBondContact O-N 3.41Å
105P75.6Confident84.6Confident33 Ų3367.9 Ų67.921%0.21436%0.364CS..Hα-helixtrans-56.9-36.6-176.5-2938.4000114.1D107 V108 E109 C185 T187 Y463P105-D107 VanDerWaalsContact C-N 3.27Å; P105-D107 PolarHBondContact O-N 2.92Å; P105-V108 PolarHBondContact O-N 2.96Å; P105-V108 VanDerWaalsContact O-N 3.17Å; P105-E109 WeakPolarHBondContact O-CB 3.49Å; P105-E109 PolarHBondContact O-N 3.46Å; P105-C185 WeakPolarHBondContact CD-O 3.35Å; P105-C185 VanDerWaalsContact CG-O 3.3Å; P105-C185 WeakPolarHBondContact CG-O 3.16Å; P105-T187 HydrophobicContact CG-CG2 4.04Å; P105-Y463 VanDerWaalsContact CA-OH 3.26Å; P105-Y463 WeakPolarHBondContact CA-OH 3.5Å; P105-Y463 VanDerWaalsContact CB-OH 3.27Å; P105-Y463 WeakPolarHBondContact CB-OH 3.4Å
106Q78.5Confident85.2Confident125 Ų12564.8 Ų64.858%0.58435%0.35SS*.Hα-helixtrans-62.2-33.4178.3-66.9175.5-0.100112.8G104 K110G104-Q106 VanDerWaalsContact C-N 3.26Å; G104-Q106 PolarHBondContact O-N 3.36Å; Q106-K110 WeakPolarHBondContact O-CB 3.39Å; Q106-K110 VanDerWaalsContact O-CG 3.24Å; Q106-K110 WeakPolarHBondContact O-CG 3.45Å; Q106-K110 PolarHBondContact O-N 3.21Å
107D83.4Confident85.6Confident47 Ų4764.4 Ų64.425%0.25135%0.348SS..Hα-helixtrans-73.8-36.2177.7-65.5-28.8000110.9I102 K103 G104 P105 K110 L111I102-D107 HydrophobicContact CD1-CB 4.07Å; I102-D107 HydrophobicContact CG2-CB 4.18Å; K103-D107 WeakPolarHBondContact CA-OD2 3.36Å; K103-D107 WeakPolarHBondContact CB-OD2 3.43Å; K103-D107 PolarHBondContact N-OD2 2.6Å; G104-D107 PolarHBondContact O-N 3.25Å; P105-D107 VanDerWaalsContact C-N 3.27Å; P105-D107 PolarHBondContact O-N 2.92Å; D107-K110 PolarHBondContact O-N 3.08Å; D107-K110 IonicContact OD1-NZ 3.36Å; D107-L111 WeakPolarHBondContact O-CB 3.39Å; D107-L111 PolarHBondContact O-N 2.79Å
108V84.8Confident86.1Confident2 Ų266 Ų661%0.01236%0.362CS..Hα-helixtrans-67.3-39.3172.7-177.70000110.9I102 G104 P105 L111 G112 Y116 Y463I102-V108 HydrophobicContact CD1-CG2 4.41Å; I102-V108 HydrophobicContact CG2-CG2 3.59Å; G104-V108 PolarHBondContact O-N 3.41Å; P105-V108 PolarHBondContact O-N 2.96Å; P105-V108 VanDerWaalsContact O-N 3.17Å; V108-L111 PolarHBondContact O-N 3.47Å; V108-G112 CarbonylContact O-C 3.55Å; V108-G112 WeakPolarHBondContact O-CA 3.39Å; V108-G112 PolarHBondContact O-N 3.07Å; V108-Y116 HydrophobicContact CG1-CD1 4.35Å; V108-Y116 HydrophobicContact CG1-CD2 4.16Å; V108-Y116 HydrophobicContact CG1-CG 3.92Å; V108-Y116 HydrophobicContact CG2-CD2 3.97Å; V108-Y116 HydrophobicContact CG2-CE2 3.95Å; V108-Y116 HydrophobicContact CG2-CG 4.5Å; V108-Y463 HydrophobicContact CB-CD2 4.46Å; V108-Y463 HydrophobicContact CB-CE1 4.35Å; V108-Y463 HydrophobicContact CB-CE2 3.95Å; V108-Y463 HydrophobicContact CG1-CD1 3.89Å; V108-Y463 HydrophobicContact CG1-CD2 3.88Å; V108-Y463 HydrophobicContact CG1-CE1 3.82Å; V108-Y463 HydrophobicContact CG1-CE2 3.82Å; V108-Y463 HydrophobicContact CG1-CG 3.92Å; V108-Y463 HydrophobicContact CG2-CD2 4.2Å; V108-Y463 HydrophobicContact CG2-CE2 3.71Å
109E84.5Confident86.6Confident154 Ų15462.6 Ų62.672%0.7235%0.348SS*.Hα-helixtrans-64.9-41.5176.8-167.6171.9-158.500111.6P105 G112P105-E109 WeakPolarHBondContact O-CB 3.49Å; P105-E109 PolarHBondContact O-N 3.46Å; E109-G112 PolarHBondContact O-N 2.91Å
110K88.8Confident86.9Confident162 Ų16258.9 Ų58.970%0.70432%0.318SS*.Hα-helixtrans-62.4-41.2172.3-74.8170-169.8167.30112.7Q106 D107 G112Q106-K110 WeakPolarHBondContact O-CB 3.39Å; Q106-K110 VanDerWaalsContact O-CG 3.24Å; Q106-K110 WeakPolarHBondContact O-CG 3.45Å; Q106-K110 PolarHBondContact O-N 3.21Å; D107-K110 PolarHBondContact O-N 3.08Å; D107-K110 IonicContact OD1-NZ 3.36Å; K110-G112 VanDerWaalsContact C-N 3.32Å
111L91.2Very high87.2Confident64 Ų6459 Ų5934%0.33531%0.313SS..Hα-helixtrans-70.9-32.4177.5-174.662.8000111.5L100 I102 D107 V108 N115 Y116L100-L111 HydrophobicContact CD1-CD2 4.05Å; I102-L111 HydrophobicContact CD1-CD2 4.34Å; D107-L111 WeakPolarHBondContact O-CB 3.39Å; D107-L111 PolarHBondContact O-N 2.79Å; V108-L111 PolarHBondContact O-N 3.47Å; L111-N115 HydrophobicContact CD1-CB 4.2Å; L111-N115 HydrophobicContact CG-CB 3.94Å; L111-N115 WeakPolarHBondContact O-CB 3.24Å; L111-N115 PolarHBondContact O-ND2 2.91Å; L111-Y116 HydrophobicContact CD2-CD2 4.16Å
112G92.7Very high87.5Confident25 Ų2560.7 Ų60.726%0.25831%0.309SS..  trans86.8137.4-169.700000112V108 E109 K110 A114 N115 Y116V108-G112 CarbonylContact O-C 3.55Å; V108-G112 WeakPolarHBondContact O-CA 3.39Å; V108-G112 PolarHBondContact O-N 3.07Å; E109-G112 PolarHBondContact O-N 2.91Å; K110-G112 VanDerWaalsContact C-N 3.32Å; G112-A114 VanDerWaalsContact C-N 3.28Å; G112-A114 PolarHBondContact O-N 2.97Å; G112-N115 PolarHBondContact O-N 2.88Å; G112-N115 VanDerWaalsContact O-N 3.15Å; G112-Y116 PolarHBondContact O-N 3.47Å
113I92.2Very high87.9Confident47 Ų4761.2 Ų61.224%0.24131%0.312CS..Hα-helixtrans-56.4-42.5-179-63.5177.6000111.3N115 Y116 N117 Y463 R501I113-N115 PolarHBondContact O-N 3.36Å; I113-Y116 PolarHBondContact O-N 3.46Å; I113-N117 VanDerWaalsContact O-CB 3.29Å; I113-N117 WeakPolarHBondContact O-CB 3.46Å; I113-N117 PolarHBondContact O-N 3.06Å; I113-Y463 HydrophobicContact CD1-CD1 4.16Å; I113-Y463 HydrophobicContact CG1-CD1 4.01Å; I113-Y463 HydrophobicContact CG1-CE1 4.49Å; I113-R501 HydrophobicContact CG2-CB 4.27Å
114A94.3Very high88.6Confident51 Ų5154.5 Ų54.542%0.42128%0.283SS..Hα-helixtrans-59.8-43.1179.200000112.6G112 A118 E502G112-A114 VanDerWaalsContact C-N 3.28Å; G112-A114 PolarHBondContact O-N 2.97Å; A114-A118 WeakPolarHBondContact O-CB 3.49Å; A114-A118 PolarHBondContact O-N 3.49Å; A114-E502 HydrophobicContact CB-CB 3.9Å; A114-E502 HydrophobicContact CB-CG 4.29Å
115N94.9Very high89.4Confident98 Ų9858.1 Ų58.152%0.52430%0.298SS..Hα-helixtrans-70.7-41.2179-69.8-32.8000111.4L111 G112 I113 A118 E119L111-N115 HydrophobicContact CD1-CB 4.2Å; L111-N115 HydrophobicContact CG-CB 3.94Å; L111-N115 WeakPolarHBondContact O-CB 3.24Å; L111-N115 PolarHBondContact O-ND2 2.91Å; G112-N115 PolarHBondContact O-N 2.88Å; G112-N115 VanDerWaalsContact O-N 3.15Å; I113-N115 PolarHBondContact O-N 3.36Å; N115-A118 PolarHBondContact O-N 2.97Å; N115-E119 PolarHBondContact O-N 2.89Å; N115-E119 VanDerWaalsContact O-N 3.13Å
116Y94.1Very high90Very high0 Ų064.4 Ų64.40%032%0.317CS..Hα-helixtrans-60.9-46.2175.5-175.6-92.4000111.9E93 I96 D97 I102 V108 L111 G112 I113 A118 E119 C120 Y463E93-Y116 WeakPolarHBondContact CB-OH 3.49Å; E93-Y116 HydrophobicContact CG-CE1 4Å; E93-Y116 PolarHBondContact O-OH 2.96Å; I96-Y116 HydrophobicContact CG2-CD2 4.32Å; I96-Y116 HydrophobicContact CG2-CE2 3.88Å; D97-Y116 WeakPolarHBondContact OD1-CE2 3.4Å; D97-Y116 PolarHBondContact OD1-OH 2.98Å; I102-Y116 HydrophobicContact CD1-CD2 4.33Å; I102-Y116 HydrophobicContact CD1-CE2 4.39Å; I102-Y116 HydrophobicContact CG1-CD2 4.49Å; I102-Y116 HydrophobicContact CG1-CE2 4.09Å; V108-Y116 HydrophobicContact CG1-CD1 4.35Å; V108-Y116 HydrophobicContact CG1-CD2 4.16Å; V108-Y116 HydrophobicContact CG1-CG 3.92Å; V108-Y116 HydrophobicContact CG2-CD2 3.97Å; V108-Y116 HydrophobicContact CG2-CE2 3.95Å; V108-Y116 HydrophobicContact CG2-CG 4.5Å; L111-Y116 HydrophobicContact CD2-CD2 4.16Å; G112-Y116 PolarHBondContact O-N 3.47Å; I113-Y116 PolarHBondContact O-N 3.46Å; Y116-A118 VanDerWaalsContact C-N 3.34Å; Y116-A118 PolarHBondContact O-N 2.93Å; Y116-E119 PolarHBondContact O-N 2.96Å; Y116-C120 PolarHBondContact O-N 3.44Å; Y116-C120 PolarHBondContact O-SG 3.4Å; Y116-Y463 HydrophobicContact CD1-CD2 4.46Å; Y116-Y463 HydrophobicContact CD1-CG 4.49Å; Y116-Y463 HydrophobicContact CE1-CD2 4.15Å
117N94.8Very high90.4Very high0 Ų060.4 Ų60.40%030%0.297CS..Hα-helixtrans-67.1-34.2178.3-75.13.4000111.9I113 E119 C120 R121 Y463 W464 E502I113-N117 VanDerWaalsContact O-CB 3.29Å; I113-N117 WeakPolarHBondContact O-CB 3.46Å; I113-N117 PolarHBondContact O-N 3.06Å; N117-E119 PolarHBondContact O-N 3.5Å; N117-C120 WeakPolarHBondContact O-CB 3.4Å; N117-C120 PolarHBondContact O-N 3.32Å; N117-R121 WeakPolarHBondContact O-CB 3.39Å; N117-R121 PolarHBondContact O-N 2.86Å; N117-Y463 PolarHBondContact ND2-O 3.09Å; N117-W464 HydrophobicContact CB-CE3 3.57Å; N117-W464 HydrophobicContact CB-CZ3 3.81Å; N117-W464 WeakPolarHBondContact O-CZ3 3.47Å; N117-E502 PolarHBondContact ND2-OE2 3.43Å
118A95Very high90.5Very high39 Ų3958.8 Ų58.832%0.32229%0.289SS..Hα-helixtrans-62.5-40172.600000112.5A114 N115 Y116 R121 K122A114-A118 WeakPolarHBondContact O-CB 3.49Å; A114-A118 PolarHBondContact O-N 3.49Å; N115-A118 PolarHBondContact O-N 2.97Å; Y116-A118 VanDerWaalsContact C-N 3.34Å; Y116-A118 PolarHBondContact O-N 2.93Å; A118-R121 PolarHBondContact O-N 3.18Å; A118-K122 WeakPolarHBondContact O-CG 3.41Å; A118-K122 PolarHBondContact O-N 3.43Å
119E93.8Very high90.7Very high64 Ų6460.6 Ų60.630%0.29931%0.308SS..Hα-helixtrans-67.5-40.3174.5-67-55.713400112I96 L100 N115 Y116 N117 R121 K122 I123I96-E119 HydrophobicContact CD1-CB 4.27Å; I96-E119 HydrophobicContact CG2-CB 4.34Å; L100-E119 HydrophobicContact CD1-CB 4.23Å; L100-E119 HydrophobicContact CD1-CG 4.1Å; N115-E119 PolarHBondContact O-N 2.89Å; N115-E119 VanDerWaalsContact O-N 3.13Å; Y116-E119 PolarHBondContact O-N 2.96Å; N117-E119 PolarHBondContact O-N 3.5Å; E119-R121 VanDerWaalsContact C-N 3.3Å; E119-R121 PolarHBondContact O-N 3.24Å; E119-K122 PolarHBondContact O-N 3.06Å; E119-K122 IonicContact OE1-NZ 2.64Å; E119-K122 PolarHBondContact OE1-NZ 3.47Å; E119-I123 PolarHBondContact O-N 3.41Å
120C92.1Very high91Very high0 Ų056.2 Ų56.20%029%0.288CS..Hα-helixtrans-59.3-40.3171.9-630000112V92 Y116 N117 I123 V124 W464V92-C120 HydrophobicContact CG1-CB 4.17Å; Y116-C120 PolarHBondContact O-N 3.44Å; Y116-C120 PolarHBondContact O-SG 3.4Å; N117-C120 WeakPolarHBondContact O-CB 3.4Å; N117-C120 PolarHBondContact O-N 3.32Å; C120-I123 WeakPolarHBondContact O-CG2 3.26Å; C120-V124 WeakPolarHBondContact O-CG2 3.34Å; C120-V124 PolarHBondContact O-N 3.21Å; C120-W464 HydrophobicContact CB-CB 4.16Å; C120-W464 HydrophobicContact CB-CD2 3.47Å; C120-W464 VanDerWaalsContact CB-CD2 3.47Å; C120-W464 HydrophobicContact CB-CE3 4.07Å; C120-W464 HydrophobicContact CB-CG 3.5Å; C120-W464 HydrophobicContact CB-CZ2 4.39Å
121R93.4Very high91.2Very high75 Ų7548.9 Ų48.928%0.28326%0.256SS..Hα-helixtrans-65.7-40.1176.1-167.4175.4-67.3-164.3-4.7112.2N117 A118 E119 M125 W464 D498 H500N117-R121 WeakPolarHBondContact O-CB 3.39Å; N117-R121 PolarHBondContact O-N 2.86Å; A118-R121 PolarHBondContact O-N 3.18Å; E119-R121 VanDerWaalsContact C-N 3.3Å; E119-R121 PolarHBondContact O-N 3.24Å; R121-M125 WeakPolarHBondContact O-CG 3.44Å; R121-M125 PolarHBondContact O-N 3.44Å; R121-W464 HydrophobicContact CB-CH2 3.84Å; R121-W464 HydrophobicContact CB-CZ2 4.22Å; R121-W464 HydrophobicContact CG-CH2 4.26Å; R121-D498 IonicContact CZ-OD2 2.92Å; R121-D498 IonicContact NH1-OD2 3.39Å; R121-D498 PolarHBondContact NH1-OD2 3.04Å; R121-D498 IonicContact NH2-OD1 2.62Å; R121-D498 IonicContact NH2-OD2 2.92Å; R121-D498 PolarHBondContact NH2-OD2 3.43Å; R121-H500 PolarHBondContact NH2-CE1 3.49Å; R121-H500 PolarHBondContact NH2-ND1 2.98Å
122K92Very high91.3Very high123 Ų12349.1 Ų49.154%0.53526%0.255SS..Hα-helixtrans-63.5-44.3179.9-75172.1-171.11710112.8A118 E119 V124 M125 R126A118-K122 WeakPolarHBondContact O-CG 3.41Å; A118-K122 PolarHBondContact O-N 3.43Å; E119-K122 PolarHBondContact O-N 3.06Å; E119-K122 IonicContact OE1-NZ 2.64Å; E119-K122 PolarHBondContact OE1-NZ 3.47Å; K122-V124 VanDerWaalsContact C-N 3.33Å; K122-V124 PolarHBondContact O-N 3.31Å; K122-M125 PolarHBondContact O-N 2.97Å; K122-R126 PolarHBondContact O-N 3.25Å; K122-R126 VanDerWaalsContact O-N 3.11Å
123I88.2Confident91.3Very high26 Ų2654.5 Ų54.513%0.13327%0.274CS..Hα-helixtrans-66-37-177.9-166.7167.8000112V92 E95 I96 E119 C120 R126 Y127V92-I123 HydrophobicContact CG1-CG2 3.8Å; E95-I123 HydrophobicContact CB-CD1 4.03Å; I96-I123 HydrophobicContact CD1-CB 3.96Å; I96-I123 HydrophobicContact CD1-CD1 4.04Å; I96-I123 HydrophobicContact CD1-CG2 3.7Å; I96-I123 HydrophobicContact CG1-CG2 3.99Å; E119-I123 PolarHBondContact O-N 3.41Å; C120-I123 WeakPolarHBondContact O-CG2 3.26Å; I123-R126 PolarHBondContact O-N 3.39Å; I123-Y127 HydrophobicContact CD1-CD2 4.5Å; I123-Y127 HydrophobicContact CD1-CE2 3.79Å; I123-Y127 HydrophobicContact CG1-CD2 3.73Å; I123-Y127 HydrophobicContact CG1-CE2 3.45Å; I123-Y127 VanDerWaalsContact CG1-CE2 3.45Å; I123-Y127 WeakPolarHBondContact O-CD2 3.26Å; I123-Y127 PolarHBondContact O-N 3.04Å; I123-Y127 VanDerWaalsContact O-N 3.1Å
124V85.8Confident91.4Very high0 Ų053.1 Ų53.10%027%0.267CS..Hα-helixtrans-60.5-49.6176.1168.80000110.7A50 C87 V92 C120 K122 R126 Y127 S128 L151A50-V124 HydrophobicContact CB-CB 4.14Å; A50-V124 HydrophobicContact CB-CG1 3.8Å; A50-V124 HydrophobicContact CB-CG2 4.15Å; C87-V124 HydrophobicContact CB-CG1 3.91Å; C87-V124 HydrophobicContact CB-CG2 4.19Å; C87-V124 VanDerWaalsContact SG-CG1 3.54Å; V92-V124 HydrophobicContact CG1-CG2 4.03Å; V92-V124 HydrophobicContact CG2-CG2 4.23Å; C120-V124 WeakPolarHBondContact O-CG2 3.34Å; C120-V124 PolarHBondContact O-N 3.21Å; K122-V124 VanDerWaalsContact C-N 3.33Å; K122-V124 PolarHBondContact O-N 3.31Å; V124-R126 VanDerWaalsContact C-N 3.32Å; V124-R126 PolarHBondContact O-N 3Å; V124-Y127 PolarHBondContact O-N 3.35Å; V124-S128 WeakPolarHBondContact O-CB 3.32Å; V124-S128 PolarHBondContact O-N 2.93Å; V124-L151 HydrophobicContact CG1-CD2 3.98Å
125M87.9Confident91.5Very high85 Ų8551 Ų5142%0.41925%0.249SC..Hα-helixtrans-63.7-37.7-179.8-65.3-59.2178.400112.3R121 K122 S128 G129 K149 L151R121-M125 WeakPolarHBondContact O-CG 3.44Å; R121-M125 PolarHBondContact O-N 3.44Å; K122-M125 PolarHBondContact O-N 2.97Å; M125-S128 PolarHBondContact O-N 3.49Å; M125-G129 PolarHBondContact O-N 3.25Å; M125-K149 HydrophobicContact CE-CD 4.3Å; M125-L151 HydrophobicContact CE-CD1 4.24Å; M125-L151 HydrophobicContact CE-CD2 4.26Å
126R88.2Confident91.5Very high165 Ų16549 Ų4962%0.62324%0.236SC*.Hα-helixtrans-60.6-50.7175.7180-177.2176.7-179.62.4111.9K122 I123 V124 S128 G129 Q130K122-R126 PolarHBondContact O-N 3.25Å; K122-R126 VanDerWaalsContact O-N 3.11Å; I123-R126 PolarHBondContact O-N 3.39Å; V124-R126 VanDerWaalsContact C-N 3.32Å; V124-R126 PolarHBondContact O-N 3Å; R126-S128 VanDerWaalsContact C-N 3.33Å; R126-G129 PolarHBondContact O-N 2.68Å; R126-Q130 WeakPolarHBondContact O-CG 3.45Å; R126-Q130 PolarHBondContact O-N 3.12Å
127Y86.7Confident91.6Very high42 Ų4249.9 Ų49.917%0.16524%0.24CC..Hα-helixtrans-70.9-31-178.6-73.9-53.6000112.5A50 T51 I123 V124 G129 Q130 W131A50-Y127 WeakPolarHBondContact O-CD2 3.39Å; T51-Y127 VanDerWaalsContact C-CD2 3.49Å; T51-Y127 WeakPolarHBondContact O-CE2 3.37Å; I123-Y127 HydrophobicContact CD1-CD2 4.5Å; I123-Y127 HydrophobicContact CD1-CE2 3.79Å; I123-Y127 HydrophobicContact CG1-CD2 3.73Å; I123-Y127 HydrophobicContact CG1-CE2 3.45Å; I123-Y127 VanDerWaalsContact CG1-CE2 3.45Å; I123-Y127 WeakPolarHBondContact O-CD2 3.26Å; I123-Y127 PolarHBondContact O-N 3.04Å; I123-Y127 VanDerWaalsContact O-N 3.1Å; V124-Y127 PolarHBondContact O-N 3.35Å; Y127-G129 PolarHBondContact O-N 3.47Å; Y127-Q130 PolarHBondContact O-N 3.03Å; Y127-W131 WeakPolarHBondContact O-CB 3.27Å; Y127-W131 PolarHBondContact O-N 3.44Å
128S85.8Confident91.7Very high12 Ų1250.4 Ų50.48%0.08424%0.242CC..Hα-helixtrans-56.1-49.1173.3-1750000112.1W85 V124 M125 R126 W131 Q132W85-S128 VanDerWaalsContact CZ2-CA 3.45Å; W85-S128 PolarHBondContact NE1-OG 2.89Å; V124-S128 WeakPolarHBondContact O-CB 3.32Å; V124-S128 PolarHBondContact O-N 2.93Å; M125-S128 PolarHBondContact O-N 3.49Å; R126-S128 VanDerWaalsContact C-N 3.33Å; S128-W131 PolarHBondContact O-N 3Å; S128-Q132 PolarHBondContact O-N 2.9Å; S128-Q132 VanDerWaalsContact O-N 3.13Å
129G87.7Confident91.7Very high40 Ų4048.6 Ų48.641%0.41223%0.228SC..Hα-helixtrans-64.4-41.1178.500000113.2M125 R126 Y127 W131 Q132 E133M125-G129 PolarHBondContact O-N 3.25Å; R126-G129 PolarHBondContact O-N 2.68Å; Y127-G129 PolarHBondContact O-N 3.47Å; G129-W131 VanDerWaalsContact C-N 3.32Å; G129-W131 PolarHBondContact O-N 3.3Å; G129-Q132 PolarHBondContact O-N 2.81Å; G129-E133 PolarHBondContact O-N 3.31Å
130Q90.7Very high91.9Very high63 Ų6346.7 Ų46.729%0.29422%0.217SC..Hα-helixtrans-66.6-33.7177.9-67.9-175.6-24.800112.9L53 R126 Y127 I134L53-Q130 HydrophobicContact CD2-CB 3.64Å; L53-Q130 HydrophobicContact CD2-CG 4.35Å; L53-Q130 VanDerWaalsContact CD2-OE1 3.25Å; R126-Q130 WeakPolarHBondContact O-CG 3.45Å; R126-Q130 PolarHBondContact O-N 3.12Å; Y127-Q130 PolarHBondContact O-N 3.03Å; Q130-I134 WeakPolarHBondContact O-CG1 3.31Å; Q130-I134 PolarHBondContact O-N 3.24Å
131W93.6Very high92Very high7 Ų747.8 Ų47.83%0.02722%0.222CC..Hα-helixtrans-69-38.7174.3-91.769.5000112.4P48 G52 P54 H58 F83 W85 Y127 S128 G129 E133 I134 V135P48-W131 HydrophobicContact CB-CH2 3.57Å; P48-W131 HydrophobicContact CB-CZ2 4.11Å; P48-W131 HydrophobicContact CB-CZ3 4.05Å; P48-W131 HydrophobicContact CG-CE3 4.4Å; P48-W131 HydrophobicContact CG-CH2 3.84Å; P48-W131 HydrophobicContact CG-CZ3 3.78Å; G52-W131 PolarHBondContact O-NE1 3.1Å; P54-W131 HydrophobicContact CB-CD2 4.18Å; P54-W131 HydrophobicContact CB-CE3 4.26Å; P54-W131 HydrophobicContact CB-CH2 3.98Å; P54-W131 HydrophobicContact CB-CZ2 3.86Å; P54-W131 HydrophobicContact CB-CZ3 4.16Å; P54-W131 HydrophobicContact CG-CD2 4.22Å; H58-W131 HydrophobicContact CB-CH2 3.68Å; H58-W131 HydrophobicContact CB-CZ3 4.19Å; H58-W131 AromaticContact CD2-CH2 3.92Å; H58-W131 AromaticContact CG-CH2 3.5Å; H58-W131 VanDerWaalsContact CG-CH2 3.5Å; H58-W131 AromaticContact ND1-CH2 3.66Å; H58-W131 AromaticContact ND1-CZ2 3.71Å; F83-W131 AromaticContact CZ-CE3 3.81Å; F83-W131 HydrophobicContact CZ-CE3 3.81Å; F83-W131 HydrophobicContact CZ-CZ3 4.09Å; W85-W131 HydrophobicContact CH2-CB 3.49Å; W85-W131 VanDerWaalsContact CH2-CB 3.49Å; W85-W131 AromaticContact CH2-CD1 3.93Å; W85-W131 AromaticContact CH2-CD2 3.79Å; W85-W131 HydrophobicContact CH2-CD2 3.79Å; W85-W131 HydrophobicContact CH2-CE3 4.24Å; W85-W131 AromaticContact CH2-CG 3.49Å; W85-W131 HydrophobicContact CH2-CG 3.49Å; W85-W131 VanDerWaalsContact CH2-CG 3.49Å; W85-W131 HydrophobicContact CZ2-CB 3.95Å; W85-W131 HydrophobicContact CZ2-CG 4.41Å; W85-W131 HydrophobicContact CZ3-CD2 4.29Å; W85-W131 HydrophobicContact CZ3-CG 4.27Å; Y127-W131 WeakPolarHBondContact O-CB 3.27Å; Y127-W131 PolarHBondContact O-N 3.44Å; S128-W131 PolarHBondContact O-N 3Å; G129-W131 VanDerWaalsContact C-N 3.32Å; G129-W131 PolarHBondContact O-N 3.3Å; W131-E133 VanDerWaalsContact C-N 3.29Å; W131-E133 PolarHBondContact O-N 3.3Å; W131-I134 PolarHBondContact O-N 3.35Å; W131-V135 HydrophobicContact CE3-CG2 4.07Å; W131-V135 VanDerWaalsContact O-CB 3.28Å; W131-V135 WeakPolarHBondContact O-CB 3.29Å; W131-V135 WeakPolarHBondContact O-CG2 3.43Å; W131-V135 PolarHBondContact O-N 3.13Å
132Q93.3Very high92.1Very high69 Ų6944.8 Ų44.832%0.32221%0.211SC..Hα-helixtrans-55-48177.7180178.1-7.700110.8S128 G129 I134 V135 E136 F144S128-Q132 PolarHBondContact O-N 2.9Å; S128-Q132 VanDerWaalsContact O-N 3.13Å; G129-Q132 PolarHBondContact O-N 2.81Å; Q132-I134 PolarHBondContact O-N 2.86Å; Q132-V135 PolarHBondContact O-N 3.43Å; Q132-E136 HydrophobicContact CG-CG 4.37Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.48Å; Q132-E136 PolarHBondContact NE2-OE1 2.98Å; Q132-E136 WeakPolarHBondContact O-CB 3.25Å; Q132-E136 WeakPolarHBondContact O-CG 3.47Å; Q132-E136 PolarHBondContact O-N 2.8Å; Q132-F144 HydrophobicContact CB-CD1 4.03Å; Q132-F144 HydrophobicContact CB-CD2 4.31Å; Q132-F144 HydrophobicContact CB-CE1 4.12Å; Q132-F144 HydrophobicContact CB-CE2 4.38Å; Q132-F144 HydrophobicContact CB-CG 4.13Å; Q132-F144 HydrophobicContact CB-CZ 4.29Å; Q132-F144 HydrophobicContact CG-CB 4.24Å; Q132-F144 HydrophobicContact CG-CD1 4.32Å; Q132-F144 HydrophobicContact CG-CD2 3.87Å; Q132-F144 HydrophobicContact CG-CE2 4.26Å; Q132-F144 HydrophobicContact CG-CG 3.89Å
133E92.6Very high92.3Very high138 Ų13841.1 Ų41.165%0.64520%0.198SC*.Hα-helixtrans-57.8-46.7178.3-172.6-179.2177.300112.4G129 W131 R137G129-E133 PolarHBondContact O-N 3.31Å; W131-E133 VanDerWaalsContact C-N 3.29Å; W131-E133 PolarHBondContact O-N 3.3Å; E133-R137 WeakPolarHBondContact O-CB 3.39Å; E133-R137 PolarHBondContact O-N 3.32Å
134I94.8Very high92.4Very high18 Ų1841 Ų419%0.09220%0.196CC..Hα-helixtrans-69.6-42-179-63.7167000111.4L53 P54 Q130 W131 Q132 R137 L138 M613L53-I134 HydrophobicContact CD2-CD1 3.97Å; P54-I134 HydrophobicContact CG-CB 4.02Å; P54-I134 HydrophobicContact CG-CD1 3.73Å; P54-I134 HydrophobicContact CG-CG1 4.47Å; P54-I134 HydrophobicContact CG-CG2 3.56Å; Q130-I134 WeakPolarHBondContact O-CG1 3.31Å; Q130-I134 PolarHBondContact O-N 3.24Å; W131-I134 PolarHBondContact O-N 3.35Å; Q132-I134 PolarHBondContact O-N 2.86Å; I134-R137 PolarHBondContact O-N 3.33Å; I134-L138 HydrophobicContact CG2-CD1 3.89Å; I134-L138 WeakPolarHBondContact O-CD1 3.47Å; I134-L138 VanDerWaalsContact O-CG 3.27Å; I134-L138 WeakPolarHBondContact O-CG 3.46Å; I134-L138 PolarHBondContact O-N 3.06Å; I134-M613 HydrophobicContact CB-SD 4.25Å; I134-M613 HydrophobicContact CD1-CG 4.49Å; I134-M613 HydrophobicContact CG1-CG 4.08Å; I134-M613 HydrophobicContact CG1-SD 3.97Å; I134-M613 HydrophobicContact CG2-SD 3.84Å
135V95.8Very high92.6Very high8 Ų849.9 Ų49.95%0.04824%0.237CC..Hα-helixtrans-67.1-41.1-179.7172.40000110.9F83 W131 Q132 L138 G139 R140 I142 F144F83-V135 HydrophobicContact CE2-CG2 4.41Å; W131-V135 HydrophobicContact CE3-CG2 4.07Å; W131-V135 VanDerWaalsContact O-CB 3.28Å; W131-V135 WeakPolarHBondContact O-CB 3.29Å; W131-V135 WeakPolarHBondContact O-CG2 3.43Å; W131-V135 PolarHBondContact O-N 3.13Å; Q132-V135 PolarHBondContact O-N 3.43Å; V135-L138 PolarHBondContact O-N 3.13Å; V135-G139 PolarHBondContact O-N 3.02Å; V135-R140 HydrophobicContact CG1-CB 3.78Å; V135-R140 HydrophobicContact CG1-CG 3.88Å; V135-R140 PolarHBondContact O-N 2.93Å; V135-I142 HydrophobicContact CG1-CG2 3.98Å; V135-F144 HydrophobicContact CB-CE2 3.94Å; V135-F144 HydrophobicContact CB-CZ 3.85Å; V135-F144 HydrophobicContact CG1-CE2 3.68Å; V135-F144 HydrophobicContact CG1-CZ 3.89Å; V135-F144 HydrophobicContact CG2-CZ 4.08Å
136E94.8Very high92.8Very high56 Ų5649.7 Ų49.726%0.26224%0.238SC..Hα-helixtrans-58.8-50171.2-78.8-178.8-16200110.5L19 K23 Q132 L138 G139L19-E136 WeakPolarHBondContact CD1-O 3.33Å; K23-E136 WeakPolarHBondContact CE-OE2 3.47Å; K23-E136 IonicContact NZ-OE2 3.83Å; K23-E136 PolarHBondContact NZ-OE2 2.78Å; Q132-E136 HydrophobicContact CG-CG 4.37Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.48Å; Q132-E136 PolarHBondContact NE2-OE1 2.98Å; Q132-E136 WeakPolarHBondContact O-CB 3.25Å; Q132-E136 WeakPolarHBondContact O-CG 3.47Å; Q132-E136 PolarHBondContact O-N 2.8Å; E136-L138 PolarHBondContact O-N 3.21Å; E136-G139 WeakPolarHBondContact O-CA 3.47Å; E136-G139 PolarHBondContact O-N 3.22Å
137R96.7Very high93Very high18 Ų1842.1 Ų42.17%0.06821%0.21CC..Hα-helixtrans-61.5-31.7-178.9-175.763.5-171.181-6.5113.1P12 E15 E133 I134 G139 M613 V616P12-R137 PolarHBondContact O-NH2 3.25Å; E15-R137 IonicContact OE2-CZ 3.33Å; E15-R137 VanDerWaalsContact OE2-CZ 3.25Å; E15-R137 IonicContact OE2-NH1 3.98Å; E15-R137 PolarHBondContact OE2-NH1 3.06Å; E15-R137 IonicContact OE2-NH2 2.97Å; E15-R137 PolarHBondContact OE2-NH2 2.88Å; E133-R137 WeakPolarHBondContact O-CB 3.39Å; E133-R137 PolarHBondContact O-N 3.32Å; I134-R137 PolarHBondContact O-N 3.33Å; R137-G139 PolarHBondContact O-N 2.86Å; R137-M613 HydrophobicContact CB-CE 4.02Å; R137-M613 HydrophobicContact CG-CE 3.67Å; R137-M613 HydrophobicContact CG-SD 4.48Å; R137-V616 HydrophobicContact CG-CG1 3.88Å; R137-V616 VanDerWaalsContact CZ-CG1 3.46Å
138L96.6Very high93.4Very high11 Ų1140.2 Ų40.26%0.05820%0.203CC..THydrogen-bonded Turntrans-75.4-4174.3-69.7165.3000113.7I59 I134 V135 E136 R140 V616 L624 R625I59-L138 HydrophobicContact CB-CD1 4.35Å; I59-L138 HydrophobicContact CD1-CD1 4.01Å; I59-L138 HydrophobicContact CG1-CD1 3.72Å; I59-L138 HydrophobicContact CG2-CD1 3.95Å; I59-L138 HydrophobicContact CG2-CD2 4.01Å; I134-L138 HydrophobicContact CG2-CD1 3.89Å; I134-L138 WeakPolarHBondContact O-CD1 3.47Å; I134-L138 VanDerWaalsContact O-CG 3.27Å; I134-L138 WeakPolarHBondContact O-CG 3.46Å; I134-L138 PolarHBondContact O-N 3.06Å; V135-L138 PolarHBondContact O-N 3.13Å; E136-L138 PolarHBondContact O-N 3.21Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 3.3Å; L138-V616 HydrophobicContact CD2-CG2 3.85Å; L138-L624 HydrophobicContact CD2-CD2 4.06Å; L138-R625 WeakPolarHBondContact O-CD 3.27Å; L138-R625 PolarHBondContact O-NH1 3.36Å; L138-R625 VanDerWaalsContact O-NH1 3.08Å
139G96.3Very high93.9Very high1 Ų140.3 Ų40.31%0.0120%0.201CC..THydrogen-bonded Turntrans73.220.4178.200000114R70 V135 E136 R137 W141 F773R70-G139 PolarHBondContact NH2-O 2.9Å; V135-G139 PolarHBondContact O-N 3.02Å; E136-G139 WeakPolarHBondContact O-CA 3.47Å; E136-G139 PolarHBondContact O-N 3.22Å; R137-G139 PolarHBondContact O-N 2.86Å; G139-W141 PolarHBondContact O-N 3.22Å; G139-F773 VanDerWaalsContact CA-CZ 3.48Å
140R97.1Very high94.3Very high23 Ų2338.4 Ų38.49%0.08718%0.182CC..  trans-80.7117.2174.7168.5175.2-172.7-147.60.5109.4D45 D66 F83 V135 L138 I142D45-R140 IonicContact OD1-CZ 3.88Å; D45-R140 IonicContact OD1-NH2 3.38Å; D45-R140 PolarHBondContact OD1-NH2 2.77Å; D45-R140 IonicContact OD2-CZ 3.41Å; D45-R140 IonicContact OD2-NH1 2.88Å; D45-R140 IonicContact OD2-NH2 2.66Å; D45-R140 PolarHBondContact OD2-NH2 3.21Å; D66-R140 HydrophobicContact CB-CB 4.27Å; D66-R140 HydrophobicContact CB-CG 4.1Å; D66-R140 WeakPolarHBondContact OD1-CA 3.33Å; F83-R140 VanDerWaalsContact CE2-NH1 3.32Å; V135-R140 HydrophobicContact CG1-CB 3.78Å; V135-R140 HydrophobicContact CG1-CG 3.88Å; V135-R140 PolarHBondContact O-N 2.93Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 3.3Å; R140-I142 HydrophobicContact CG-CB 4.45Å; R140-I142 HydrophobicContact CG-CG2 4.07Å; R140-I142 PolarHBondContact O-N 3.03Å
141W95Very high94.5Very high23 Ų2335.9 Ų35.99%0.08717%0.171CC..  trans-87.7108177.6-77.4-4.1000111.2W22 V27 F28 D66 R70 R81 G139 H799W22-W141 AromaticContact CD2-CZ2 3.88Å; W22-W141 HydrophobicContact CD2-CZ2 3.88Å; W22-W141 AromaticContact CE2-CZ2 3.96Å; W22-W141 HydrophobicContact CE3-CZ2 4.1Å; W22-W141 AromaticContact CE3-NE1 3.4Å; W22-W141 HydrophobicContact CG-CZ2 4.37Å; W22-W141 HydrophobicContact CZ2-CZ2 4.28Å; W22-W141 HydrophobicContact CZ3-CZ2 4.4Å; W22-W141 AromaticContact CZ3-NE1 3.63Å; V27-W141 HydrophobicContact CB-CH2 4.22Å; V27-W141 HydrophobicContact CB-CZ2 4.11Å; V27-W141 HydrophobicContact CG1-CH2 3.3Å; V27-W141 HydrophobicContact CG1-CZ2 3.62Å; V27-W141 HydrophobicContact CG1-CZ3 4.23Å; F28-W141 HydrophobicContact CB-CB 4.4Å; F28-W141 HydrophobicContact CB-CD2 3.94Å; F28-W141 HydrophobicContact CB-CE3 4.32Å; F28-W141 HydrophobicContact CB-CG 3.98Å; F28-W141 HydrophobicContact CD2-CB 3.64Å; F28-W141 HydrophobicContact CD2-CD2 4.17Å; F28-W141 HydrophobicContact CD2-CE3 4.07Å; F28-W141 HydrophobicContact CD2-CG 4.04Å; F28-W141 HydrophobicContact CE2-CB 4.05Å; F28-W141 HydrophobicContact CG-CB 3.98Å; F28-W141 HydrophobicContact CG-CD2 4.36Å; F28-W141 HydrophobicContact CG-CG 4.1Å; D66-W141 PolarHBondContact OD1-N 3.11Å; R70-W141 VanDerWaalsContact CZ-CD2 3.48Å; R70-W141 VanDerWaalsContact NH1-CD2 3.34Å; R81-W141 VanDerWaalsContact CD-O 3.25Å; R81-W141 WeakPolarHBondContact CD-O 3.2Å; G139-W141 PolarHBondContact O-N 3.22Å; W141-H799 HydrophobicContact CH2-CB 3.28Å; W141-H799 AromaticContact CH2-CD2 3.68Å; W141-H799 AromaticContact CH2-CG 3.39Å; W141-H799 HydrophobicContact CZ2-CB 4.4Å; W141-H799 HydrophobicContact CZ3-CB 3.67Å; W141-H799 AromaticContact CZ3-CG 3.97Å
142I95.4Very high94.6Very high13 Ų1339.2 Ų39.27%0.06718%0.183CC..  trans-153.3144.6179.3-167.7158.4000109.3F43 D45 R81 F83 V135 R140 F144F43-I142 HydrophobicContact CE1-CD1 4.47Å; D45-I142 HydrophobicContact CB-CD1 4.36Å; D45-I142 VanDerWaalsContact OD2-CD1 3.32Å; D45-I142 WeakPolarHBondContact OD2-CD1 3.43Å; R81-I142 HydrophobicContact CB-CG1 4.2Å; F83-I142 HydrophobicContact CB-CD1 4.1Å; F83-I142 HydrophobicContact CB-CG1 3.99Å; F83-I142 HydrophobicContact CD2-CD1 3.85Å; F83-I142 HydrophobicContact CD2-CG1 4.21Å; F83-I142 HydrophobicContact CD2-CG2 3.7Å; F83-I142 HydrophobicContact CE2-CG2 4.49Å; F83-I142 HydrophobicContact CG-CD1 4.36Å; V135-I142 HydrophobicContact CG1-CG2 3.98Å; R140-I142 HydrophobicContact CG-CB 4.45Å; R140-I142 HydrophobicContact CG-CG2 4.07Å; R140-I142 PolarHBondContact O-N 3.03Å; I142-F144 HydrophobicContact CG2-CD2 4.15Å; I142-F144 HydrophobicContact CG2-CE2 3.66Å; I142-F144 HydrophobicContact CG2-CZ 4.33Å; I142-F144 PolarHBondContact O-N 3.21Å
143D94.4Very high94.8Very high46 Ų4638 Ų3825%0.24618%0.181CC..EExtended strand (participates in β ladder)trans-79.6114.9-175.9-166.5-17.3000110.7F28 R81 F83 E145 N146F28-D143 HydrophobicContact CE1-CB 4.1Å; R81-D143 VanDerWaalsContact O-CB 3.23Å; R81-D143 WeakPolarHBondContact O-CB 3.18Å; R81-D143 PolarHBondContact O-N 2.74Å; F83-D143 WeakPolarHBondContact CB-O 3.48Å; F83-D143 PolarHBondContact N-O 3.39Å; D143-E145 WeakPolarHBondContact OD1-CA 3.23Å; D143-E145 PolarHBondContact OD1-N 3.42Å; D143-N146 PolarHBondContact OD1-N 2.83Å; D143-N146 WeakPolarHBondContact OD2-CB 3.47Å
144F91.5Very high95Very high23 Ų2333.5 Ų33.510%0.10117%0.166CC..EExtended strand (participates in β ladder)trans-95.6-15.6173-81.4-83.9000112.9F83 W85 Q132 V135 I142F83-F144 HydrophobicContact CB-CD1 4.22Å; F83-F144 HydrophobicContact CB-CE1 4.24Å; F83-F144 HydrophobicContact CD1-CD1 4.42Å; F83-F144 AromaticContact CD1-CE1 3.87Å; F83-F144 HydrophobicContact CD1-CE1 3.87Å; F83-F144 HydrophobicContact CD1-CZ 4.47Å; F83-F144 HydrophobicContact CD2-CD1 4.42Å; F83-F144 AromaticContact CD2-CE1 3.63Å; F83-F144 HydrophobicContact CD2-CE1 3.63Å; F83-F144 HydrophobicContact CD2-CE2 4.02Å; F83-F144 AromaticContact CD2-CZ 3.41Å; F83-F144 HydrophobicContact CD2-CZ 3.41Å; F83-F144 VanDerWaalsContact CD2-CZ 3.41Å; F83-F144 HydrophobicContact CE1-CE1 4.12Å; F83-F144 AromaticContact CE2-CE1 3.86Å; F83-F144 HydrophobicContact CE2-CE1 3.86Å; F83-F144 HydrophobicContact CE2-CE2 4.42Å; F83-F144 AromaticContact CE2-CZ 3.52Å; F83-F144 HydrophobicContact CE2-CZ 3.52Å; F83-F144 HydrophobicContact CG-CD1 4.11Å; F83-F144 AromaticContact CG-CE1 3.64Å; F83-F144 HydrophobicContact CG-CE1 3.64Å; F83-F144 AromaticContact CG-CZ 3.92Å; F83-F144 HydrophobicContact CG-CZ 3.92Å; F83-F144 HydrophobicContact CZ-CE1 4.11Å; F83-F144 HydrophobicContact CZ-CZ 4.15Å; W85-F144 AromaticContact CZ2-CE1 3.99Å; W85-F144 HydrophobicContact CZ2-CE1 3.99Å; Q132-F144 HydrophobicContact CB-CD1 4.03Å; Q132-F144 HydrophobicContact CB-CD2 4.31Å; Q132-F144 HydrophobicContact CB-CE1 4.12Å; Q132-F144 HydrophobicContact CB-CE2 4.38Å; Q132-F144 HydrophobicContact CB-CG 4.13Å; Q132-F144 HydrophobicContact CB-CZ 4.29Å; Q132-F144 HydrophobicContact CG-CB 4.24Å; Q132-F144 HydrophobicContact CG-CD1 4.32Å; Q132-F144 HydrophobicContact CG-CD2 3.87Å; Q132-F144 HydrophobicContact CG-CE2 4.26Å; Q132-F144 HydrophobicContact CG-CG 3.89Å; V135-F144 HydrophobicContact CB-CE2 3.94Å; V135-F144 HydrophobicContact CB-CZ 3.85Å; V135-F144 HydrophobicContact CG1-CE2 3.68Å; V135-F144 HydrophobicContact CG1-CZ 3.89Å; V135-F144 HydrophobicContact CG2-CZ 4.08Å; I142-F144 HydrophobicContact CG2-CD2 4.15Å; I142-F144 HydrophobicContact CG2-CE2 3.66Å; I142-F144 HydrophobicContact CG2-CZ 4.33Å; I142-F144 PolarHBondContact O-N 3.21Å
145E89.9Confident95.1Very high186 Ų18632.8 Ų32.887%0.86916%0.162SC*.EExtended strand (participates in β ladder)trans-81.1-48-180-65.3-174.5178.700110.4D143 D147D143-E145 WeakPolarHBondContact OD1-CA 3.23Å; D143-E145 PolarHBondContact OD1-N 3.42Å; E145-D147 VanDerWaalsContact C-N 3.31Å; E145-D147 PolarHBondContact O-N 2.9Å
146N91.6Very high95.3Very high82 Ų8232.4 Ų32.444%0.43916%0.16SC..EExtended strand (participates in β ladder)trans-96.945171.8-170.130.1000111R82 D143R82-N146 PolarHBondContact NE-O 2.77Å; R82-N146 PolarHBondContact NH2-O 3.17Å; R82-N146 PolarHBondContact NH2-OD1 3.39Å; D143-N146 PolarHBondContact OD1-N 2.83Å; D143-N146 WeakPolarHBondContact OD2-CB 3.47Å
147D93.6Very high95.4Very high5 Ų530.5 Ų30.53%0.02715%0.15CC..EExtended strand (participates in β ladder)trans-68.6175.817577.75.7000111.7R82 F83 W85 E145 K149 Y152R82-D147 PolarHBondContact NH2-O 2.84Å; F83-D147 HydrophobicContact CB-CB 4.16Å; F83-D147 WeakPolarHBondContact O-CA 3.43Å; F83-D147 VanDerWaalsContact O-CB 3.3Å; F83-D147 WeakPolarHBondContact O-CB 3.47Å; W85-D147 PolarHBondContact NE1-OD2 3.29Å; W85-D147 VanDerWaalsContact NE1-OD2 3.14Å; E145-D147 VanDerWaalsContact C-N 3.31Å; E145-D147 PolarHBondContact O-N 2.9Å; D147-K149 IonicContact OD1-NZ 3.27Å; D147-K149 PolarHBondContact OD1-NZ 2.87Å; D147-K149 WeakPolarHBondContact OD2-CE 3.4Å; D147-K149 IonicContact OD2-NZ 3.69Å; D147-K149 PolarHBondContact OD2-NZ 2.91Å; D147-Y152 PolarHBondContact OD1-OH 3.37Å
148Y95Very high95.5Very high3 Ų329.6 Ų29.61%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-121.6135.816567-88.9000109.4D45 P47 R82 F83 G84 W85 F155 M534 Q538D45-Y148 PolarHBondContact O-OH 3.44Å; P47-Y148 HydrophobicContact CB-CE2 4.12Å; P47-Y148 HydrophobicContact CG-CE2 4.46Å; R82-Y148 HydrophobicContact CB-CD1 4.47Å; F83-Y148 VanDerWaalsContact O-CD1 3.25Å; F83-Y148 WeakPolarHBondContact O-CD1 3.5Å; F83-Y148 WeakPolarHBondContact O-CE1 3.48Å; F83-Y148 PolarHBondContact O-N 2.83Å; G84-Y148 CarbonylContact C-O 3.59Å; G84-Y148 VanDerWaalsContact CA-CE2 3.44Å; G84-Y148 WeakPolarHBondContact CA-O 3.48Å; G84-Y148 VanDerWaalsContact CA-OH 3.3Å; G84-Y148 WeakPolarHBondContact CA-OH 3.36Å; W85-Y148 PolarHBondContact N-O 2.88Å; Y148-F155 HydrophobicContact CD2-CD2 4.13Å; Y148-F155 AromaticContact CD2-CE2 3.6Å; Y148-F155 HydrophobicContact CD2-CE2 3.6Å; Y148-F155 HydrophobicContact CE2-CE2 4.19Å; Y148-F155 HydrophobicContact CG-CE2 4.42Å; Y148-M534 HydrophobicContact CD1-CE 4.16Å; Y148-M534 HydrophobicContact CD2-CG 4.21Å; Y148-M534 HydrophobicContact CE1-CE 3.25Å; Y148-M534 HydrophobicContact CE1-CG 4.24Å; Y148-M534 HydrophobicContact CE2-CB 4.35Å; Y148-M534 HydrophobicContact CE2-CE 4.19Å; Y148-M534 HydrophobicContact CE2-CG 3.37Å; Y148-M534 WeakPolarHBondContact OH-CE 3.22Å; Y148-M534 WeakPolarHBondContact OH-CG 3.26Å; Y148-Q538 HydrophobicContact CD1-CB 3.89Å; Y148-Q538 HydrophobicContact CD2-CB 4.3Å; Y148-Q538 HydrophobicContact CG-CB 3.77Å
149K95.3Very high95.6Very high13 Ų1329.1 Ų29.16%0.05714%0.144CC..EExtended strand (participates in β ladder)trans-120.5135.6174.1-56.2-166.5173.367.20108.7W85 M125 D147 L151 Y152W85-K149 HydrophobicContact CB-CB 4.39Å; W85-K149 HydrophobicContact CB-CG 3.99Å; W85-K149 HydrophobicContact CG-CG 4.25Å; M125-K149 HydrophobicContact CE-CD 4.3Å; D147-K149 IonicContact OD1-NZ 3.27Å; D147-K149 PolarHBondContact OD1-NZ 2.87Å; D147-K149 WeakPolarHBondContact OD2-CE 3.4Å; D147-K149 IonicContact OD2-NZ 3.69Å; D147-K149 PolarHBondContact OD2-NZ 2.91Å; K149-L151 HydrophobicContact CB-CD1 4.34Å; K149-L151 HydrophobicContact CB-CG 3.96Å; K149-L151 PolarHBondContact O-N 2.6Å; K149-L151 VanDerWaalsContact O-N 3.14Å; K149-Y152 HydrophobicContact CB-CD1 4.16Å; K149-Y152 HydrophobicContact CB-CD2 3.9Å; K149-Y152 HydrophobicContact CB-CE1 4.05Å; K149-Y152 HydrophobicContact CB-CE2 3.77Å; K149-Y152 HydrophobicContact CB-CG 4.09Å; K149-Y152 HydrophobicContact CD-CE1 4.1Å; K149-Y152 HydrophobicContact CD-CE2 4.46Å; K149-Y152 HydrophobicContact CG-CD2 4.39Å; K149-Y152 HydrophobicContact CG-CE1 4.16Å; K149-Y152 HydrophobicContact CG-CE2 3.74Å; K149-Y152 VanDerWaalsContact N-CD2 3.34Å; K149-Y152 PolarHBondContact NZ-OH 3.02Å; K149-Y152 WeakPolarHBondContact O-CB 3.34Å; K149-Y152 PolarHBondContact O-N 3.5Å
150T95.9Very high95.7Very high1 Ų129 Ų291%0.00614%0.144CC..THydrogen-bonded Turntrans-58.7-23175.739.80000113.1W85 C87 H88 Y152 F155 M156 E530W85-T150 PolarHBondContact O-N 3.13Å; W85-T150 VanDerWaalsContact O-N 3.16Å; W85-T150 PolarHBondContact O-OG1 3.23Å; C87-T150 WeakPolarHBondContact CB-OG1 3.44Å; C87-T150 PolarHBondContact N-OG1 3.03Å; H88-T150 PolarHBondContact CE1-O 3.1Å; H88-T150 VanDerWaalsContact CE1-O 3.29Å; T150-Y152 VanDerWaalsContact C-N 3.32Å; T150-Y152 PolarHBondContact O-N 3.25Å; T150-F155 HydrophobicContact CG2-CD1 4.22Å; T150-F155 HydrophobicContact CG2-CE1 3.68Å; T150-F155 HydrophobicContact CG2-CZ 3.91Å; T150-M156 VanDerWaalsContact O-CG 3.32Å; T150-M156 WeakPolarHBondContact O-CG 3.2Å; T150-E530 HydrophobicContact CG2-CB 3.99Å
151L95.5Very high95.7Very high10 Ų1029.6 Ų29.65%0.05215%0.146CC..THydrogen-bonded Turntrans-77.8-6.7174.167.279000115C87 H88 V124 M125 K149 W464 H500C87-L151 HydrophobicContact CB-CB 4.15Å; C87-L151 HydrophobicContact CB-CD2 3.74Å; C87-L151 HydrophobicContact CB-CG 4.11Å; H88-L151 WeakPolarHBondContact NE2-CA 3.29Å; H88-L151 WeakPolarHBondContact NE2-CB 3.35Å; V124-L151 HydrophobicContact CG1-CD2 3.98Å; M125-L151 HydrophobicContact CE-CD1 4.24Å; M125-L151 HydrophobicContact CE-CD2 4.26Å; K149-L151 HydrophobicContact CB-CD1 4.34Å; K149-L151 HydrophobicContact CB-CG 3.96Å; K149-L151 PolarHBondContact O-N 2.6Å; K149-L151 VanDerWaalsContact O-N 3.14Å; L151-W464 HydrophobicContact CB-CZ2 4.39Å; L151-W464 HydrophobicContact CD2-CZ2 4.31Å; L151-H500 PolarHBondContact O-CE1 3.14Å
152Y96.1Very high95.9Very high76 Ų7628.5 Ų28.530%0.29814%0.142SC..SBendtrans-72.1135.7179.4-68.8-28.4000111D147 K149 T150 S154 F155 M156D147-Y152 PolarHBondContact OD1-OH 3.37Å; K149-Y152 HydrophobicContact CB-CD1 4.16Å; K149-Y152 HydrophobicContact CB-CD2 3.9Å; K149-Y152 HydrophobicContact CB-CE1 4.05Å; K149-Y152 HydrophobicContact CB-CE2 3.77Å; K149-Y152 HydrophobicContact CB-CG 4.09Å; K149-Y152 HydrophobicContact CD-CE1 4.1Å; K149-Y152 HydrophobicContact CD-CE2 4.46Å; K149-Y152 HydrophobicContact CG-CD2 4.39Å; K149-Y152 HydrophobicContact CG-CE1 4.16Å; K149-Y152 HydrophobicContact CG-CE2 3.74Å; K149-Y152 VanDerWaalsContact N-CD2 3.34Å; K149-Y152 PolarHBondContact NZ-OH 3.02Å; K149-Y152 WeakPolarHBondContact O-CB 3.34Å; K149-Y152 PolarHBondContact O-N 3.5Å; T150-Y152 VanDerWaalsContact C-N 3.32Å; T150-Y152 PolarHBondContact O-N 3.25Å; Y152-S154 VanDerWaalsContact C-N 3.25Å; Y152-S154 PolarHBondContact O-N 2.81Å; Y152-F155 WeakPolarHBondContact O-CB 3.48Å; Y152-F155 PolarHBondContact O-N 3.5Å; Y152-M156 WeakPolarHBondContact O-CG 3.37Å; Y152-M156 PolarHBondContact O-N 3.5Å
153P96.8Very high96Very high43 Ų4327.9 Ų27.928%0.27914%0.139SC..Hα-helixtrans-54.1-39.9179.6-27.634.7000113.3F155 M156 E157 I485 T497P153-F155 PolarHBondContact O-N 3.28Å; P153-M156 PolarHBondContact O-N 3.45Å; P153-E157 VanDerWaalsContact O-CB 3.28Å; P153-E157 WeakPolarHBondContact O-CB 3.44Å; P153-E157 PolarHBondContact O-N 3.31Å; P153-I485 HydrophobicContact CB-CD1 4.46Å; P153-T497 VanDerWaalsContact CG-O 3.26Å; P153-T497 WeakPolarHBondContact CG-O 3.44Å
154S97.1Very high96.2Very high45 Ų4528.1 Ų28.132%0.31514%0.137SC..Hα-helixtrans-63.5-38.1176.551.10000113.4Y152 S158 H540Y152-S154 VanDerWaalsContact C-N 3.25Å; Y152-S154 PolarHBondContact O-N 2.81Å; S154-S158 PolarHBondContact O-N 3.19Å; S154-S158 PolarHBondContact O-OG 3.3Å; S154-H540 VanDerWaalsContact CB-CG 3.48Å; S154-H540 PolarHBondContact O-CD2 3.49Å
155F97.8Very high96.5Very high3 Ų329.9 Ų29.91%0.01315%0.146CC..Hα-helixtrans-68-49.5175.3-164.3-74.7000110.3Y148 T150 Y152 P153 E157 S158 V159 E530 M534 A537Y148-F155 HydrophobicContact CD2-CD2 4.13Å; Y148-F155 AromaticContact CD2-CE2 3.6Å; Y148-F155 HydrophobicContact CD2-CE2 3.6Å; Y148-F155 HydrophobicContact CE2-CE2 4.19Å; Y148-F155 HydrophobicContact CG-CE2 4.42Å; T150-F155 HydrophobicContact CG2-CD1 4.22Å; T150-F155 HydrophobicContact CG2-CE1 3.68Å; T150-F155 HydrophobicContact CG2-CZ 3.91Å; Y152-F155 WeakPolarHBondContact O-CB 3.48Å; Y152-F155 PolarHBondContact O-N 3.5Å; P153-F155 PolarHBondContact O-N 3.28Å; F155-E157 VanDerWaalsContact C-N 3.31Å; F155-E157 PolarHBondContact O-N 3.05Å; F155-S158 WeakPolarHBondContact O-CB 3.45Å; F155-S158 PolarHBondContact O-N 3.01Å; F155-S158 VanDerWaalsContact O-N 3.15Å; F155-V159 HydrophobicContact CD1-CG2 3.92Å; F155-V159 HydrophobicContact CE1-CG2 3.89Å; F155-V159 WeakPolarHBondContact O-CG2 3.4Å; F155-V159 PolarHBondContact O-N 2.82Å; F155-E530 HydrophobicContact CE1-CB 4.45Å; F155-M534 HydrophobicContact CE2-CB 4.43Å; F155-M534 HydrophobicContact CZ-CB 4.14Å; F155-A537 HydrophobicContact CD1-CB 3.74Å; F155-A537 HydrophobicContact CD2-CB 3.66Å; F155-A537 HydrophobicContact CE1-CB 3.62Å; F155-A537 HydrophobicContact CE2-CB 3.56Å; F155-A537 HydrophobicContact CG-CB 3.76Å; F155-A537 HydrophobicContact CZ-CB 3.54Å
156M98.2Very high96.9Very high0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-59.9-39.2177.8-64.4170.981.700112.3T150 Y152 P153 S158 V159 W160 T466 L499 H500T150-M156 VanDerWaalsContact O-CG 3.32Å; T150-M156 WeakPolarHBondContact O-CG 3.2Å; Y152-M156 WeakPolarHBondContact O-CG 3.37Å; Y152-M156 PolarHBondContact O-N 3.5Å; P153-M156 PolarHBondContact O-N 3.45Å; M156-S158 VanDerWaalsContact C-N 3.33Å; M156-S158 PolarHBondContact O-N 2.89Å; M156-V159 WeakPolarHBondContact O-CB 3.46Å; M156-V159 PolarHBondContact O-N 2.81Å; M156-W160 PolarHBondContact O-N 3.26Å; M156-T466 HydrophobicContact CB-CG2 4.01Å; M156-T466 HydrophobicContact CE-CG2 4.11Å; M156-T466 HydrophobicContact CG-CG2 4.18Å; M156-L499 HydrophobicContact CB-CB 4.29Å; M156-L499 HydrophobicContact CB-CD1 3.86Å; M156-L499 HydrophobicContact CE-CB 3.69Å; M156-L499 HydrophobicContact SD-CB 4.1Å; M156-H500 VanDerWaalsContact SD-CE1 3.55Å
157E98.2Very high97.1Very high15 Ų1520.3 Ų20.37%0.0710%0.096CC..Hα-helixtrans-64.8-38.2176.9-166.6-178-160.800111.5P153 F155 V159 W160 W161 S484 I485 L499 H540 F543P153-E157 VanDerWaalsContact O-CB 3.28Å; P153-E157 WeakPolarHBondContact O-CB 3.44Å; P153-E157 PolarHBondContact O-N 3.31Å; F155-E157 VanDerWaalsContact C-N 3.31Å; F155-E157 PolarHBondContact O-N 3.05Å; E157-V159 VanDerWaalsContact C-N 3.33Å; E157-W160 WeakPolarHBondContact O-CB 3.35Å; E157-W160 PolarHBondContact O-N 2.95Å; E157-W161 PolarHBondContact O-N 3.3Å; E157-S484 WeakPolarHBondContact OE1-CA 3.4Å; E157-S484 WeakPolarHBondContact OE1-CB 3.11Å; E157-I485 HydrophobicContact CB-CD1 4.26Å; E157-I485 HydrophobicContact CB-CG1 4.36Å; E157-I485 HydrophobicContact CG-CD1 4.27Å; E157-I485 HydrophobicContact CG-CG1 3.98Å; E157-I485 WeakPolarHBondContact OE1-CB 3.44Å; E157-I485 PolarHBondContact OE1-N 2.76Å; E157-L499 HydrophobicContact CB-CD1 4.17Å; E157-H540 IonicContact OE2-CD2 4Å; E157-H540 IonicContact OE2-CE1 2.77Å; E157-H540 IonicContact OE2-NE2 3.44Å; E157-H540 PolarHBondContact OE2-NE2 2.87Å; E157-F543 HydrophobicContact CB-CE2 4.22Å; E157-F543 HydrophobicContact CG-CD2 4.26Å; E157-F543 HydrophobicContact CG-CE2 3.57Å; E157-F543 HydrophobicContact CG-CZ 3.73Å
158S98.4Very high97.3Very high0 Ų025.1 Ų25.10%013%0.126CC..Hα-helixtrans-67.5-34.6174-52.60000112.2S154 F155 M156 W161 A162 H540 Y541S154-S158 PolarHBondContact O-N 3.19Å; S154-S158 PolarHBondContact O-OG 3.3Å; F155-S158 WeakPolarHBondContact O-CB 3.45Å; F155-S158 PolarHBondContact O-N 3.01Å; F155-S158 VanDerWaalsContact O-N 3.15Å; M156-S158 VanDerWaalsContact C-N 3.33Å; M156-S158 PolarHBondContact O-N 2.89Å; S158-W161 PolarHBondContact O-N 3.31Å; S158-A162 WeakPolarHBondContact O-CB 3.29Å; S158-A162 PolarHBondContact O-N 2.89Å; S158-H540 VanDerWaalsContact OG-CA 3.32Å; S158-H540 WeakPolarHBondContact OG-CA 3.42Å; S158-Y541 WeakPolarHBondContact CB-O 3.43Å; S158-Y541 PolarHBondContact OG-O 3.39Å
159V98.3Very high97.4Very high0 Ų030 Ų300%015%0.147CC..Hα-helixtrans-64.1-42.2171.8173.70000110.5F155 M156 E157 A162 F163 T466 F525 F529F155-V159 HydrophobicContact CD1-CG2 3.92Å; F155-V159 HydrophobicContact CE1-CG2 3.89Å; F155-V159 WeakPolarHBondContact O-CG2 3.4Å; F155-V159 PolarHBondContact O-N 2.82Å; M156-V159 WeakPolarHBondContact O-CB 3.46Å; M156-V159 PolarHBondContact O-N 2.81Å; E157-V159 VanDerWaalsContact C-N 3.33Å; V159-A162 PolarHBondContact O-N 3.41Å; V159-F163 WeakPolarHBondContact O-CB 3.49Å; V159-F163 PolarHBondContact O-N 3.46Å; V159-T466 HydrophobicContact CB-CG2 4.41Å; V159-T466 HydrophobicContact CG1-CG2 4.1Å; V159-F525 HydrophobicContact CG1-CD2 4.09Å; V159-F525 HydrophobicContact CG1-CE2 4.08Å; V159-F529 HydrophobicContact CG1-CD1 3.71Å; V159-F529 HydrophobicContact CG1-CE1 3.67Å
160W98.4Very high97.4Very high0 Ų031.4 Ų31.40%017%0.166CC..Hα-helixtrans-62-44173.7-77.820.2000112.1M156 E157 A162 F163 K164 P467 P469 W471 V482 L488 L499M156-W160 PolarHBondContact O-N 3.26Å; E157-W160 WeakPolarHBondContact O-CB 3.35Å; E157-W160 PolarHBondContact O-N 2.95Å; W160-A162 PolarHBondContact O-N 3.17Å; W160-F163 PolarHBondContact O-N 2.93Å; W160-K164 WeakPolarHBondContact O-CB 3.44Å; W160-K164 PolarHBondContact O-N 2.93Å; W160-P467 PolarHBondContact NE1-O 2.89Å; W160-P469 HydrophobicContact CB-CG 4.12Å; W160-P469 HydrophobicContact CD2-CB 3.45Å; W160-P469 VanDerWaalsContact CD2-CB 3.45Å; W160-P469 HydrophobicContact CD2-CG 3.93Å; W160-P469 HydrophobicContact CE3-CB 3.67Å; W160-P469 HydrophobicContact CE3-CG 4.48Å; W160-P469 HydrophobicContact CG-CB 3.85Å; W160-P469 HydrophobicContact CG-CG 3.75Å; W160-P469 HydrophobicContact CH2-CB 4.17Å; W160-P469 HydrophobicContact CZ2-CB 3.98Å; W160-P469 HydrophobicContact CZ3-CB 4.02Å; W160-W471 AromaticContact CH2-CH2 3.72Å; W160-W471 HydrophobicContact CH2-CH2 3.72Å; W160-W471 HydrophobicContact CH2-CZ3 4.25Å; W160-W471 HydrophobicContact CZ3-CH2 4.14Å; W160-W471 HydrophobicContact CZ3-CZ3 4.4Å; W160-V482 HydrophobicContact CE3-CB 4.49Å; W160-V482 HydrophobicContact CE3-CG1 4.12Å; W160-V482 HydrophobicContact CZ3-CB 4.34Å; W160-V482 HydrophobicContact CZ3-CG1 3.94Å; W160-L488 HydrophobicContact CH2-CD2 3.92Å; W160-L488 HydrophobicContact CZ3-CD2 3.94Å; W160-L499 HydrophobicContact CD2-CD1 4.25Å; W160-L499 HydrophobicContact CE3-CD1 4.49Å; W160-L499 HydrophobicContact CE3-CD2 4.41Å; W160-L499 HydrophobicContact CH2-CD2 3.57Å; W160-L499 HydrophobicContact CZ2-CB 4.42Å; W160-L499 HydrophobicContact CZ2-CD1 4.49Å; W160-L499 HydrophobicContact CZ2-CD2 3.91Å; W160-L499 HydrophobicContact CZ3-CD2 3.86Å
161W98.4Very high97.3Very high35 Ų3532.3 Ų32.313%0.13317%0.17CC..Hα-helixtrans-57.2-50.4174167.683.3000111.2E157 S158 F163 K164 Q165 G483 Y536 Y541 P542 F543 L579 F580E157-W161 PolarHBondContact O-N 3.3Å; S158-W161 PolarHBondContact O-N 3.31Å; W161-F163 VanDerWaalsContact C-N 3.32Å; W161-F163 PolarHBondContact O-N 3.04Å; W161-K164 PolarHBondContact O-N 3.41Å; W161-K164 VanDerWaalsContact O-N 3.16Å; W161-Q165 HydrophobicContact CD2-CG 4.06Å; W161-Q165 VanDerWaalsContact CE2-CG 3.47Å; W161-Q165 HydrophobicContact CH2-CG 4.16Å; W161-Q165 HydrophobicContact CZ2-CG 3.55Å; W161-Q165 WeakPolarHBondContact O-CG 3.32Å; W161-Q165 PolarHBondContact O-N 3Å; W161-G483 WeakPolarHBondContact CA-O 3.46Å; W161-G483 PolarHBondContact N-O 3.38Å; W161-Y536 HydrophobicContact CE3-CD2 4.46Å; W161-Y536 HydrophobicContact CZ3-CD2 4.18Å; W161-Y536 HydrophobicContact CZ3-CE2 4.42Å; W161-Y541 HydrophobicContact CE3-CD1 4.33Å; W161-Y541 AromaticContact CH2-CD1 3.98Å; W161-Y541 HydrophobicContact CH2-CD1 3.98Å; W161-Y541 AromaticContact CH2-CE1 3.44Å; W161-Y541 HydrophobicContact CH2-CE1 3.44Å; W161-Y541 VanDerWaalsContact CH2-CE1 3.44Å; W161-Y541 HydrophobicContact CZ2-CD1 4.41Å; W161-Y541 AromaticContact CZ2-CE1 3.74Å; W161-Y541 HydrophobicContact CZ2-CE1 3.74Å; W161-Y541 AromaticContact CZ3-CD1 3.91Å; W161-Y541 HydrophobicContact CZ3-CD1 3.91Å; W161-Y541 AromaticContact CZ3-CE1 3.88Å; W161-Y541 HydrophobicContact CZ3-CE1 3.88Å; W161-P542 VanDerWaalsContact CD2-CD 3.46Å; W161-P542 HydrophobicContact CD2-CG 4.03Å; W161-P542 HydrophobicContact CG-CG 3.88Å; W161-F543 HydrophobicContact CB-CE2 4.17Å; W161-F543 HydrophobicContact CB-CZ 4.07Å; W161-L579 HydrophobicContact CZ3-CD1 4.3Å; W161-F580 HydrophobicContact CH2-CE1 4.12Å; W161-F580 AromaticContact CH2-CZ 3.89Å; W161-F580 HydrophobicContact CH2-CZ 3.89Å; W161-F580 HydrophobicContact CZ3-CZ 4.21Å
162A98.1Very high97.3Very high0 Ų032.4 Ų32.40%017%0.171CC..Hα-helixtrans-58.6-45.9-179.900000111.1S158 V159 W160 K164 Q165 L166 Y536 L579S158-A162 WeakPolarHBondContact O-CB 3.29Å; S158-A162 PolarHBondContact O-N 2.89Å; V159-A162 PolarHBondContact O-N 3.41Å; W160-A162 PolarHBondContact O-N 3.17Å; A162-K164 PolarHBondContact O-N 2.96Å; A162-Q165 PolarHBondContact O-N 3.44Å; A162-L166 WeakPolarHBondContact O-CG 3.38Å; A162-L166 PolarHBondContact O-N 3.48Å; A162-L166 VanDerWaalsContact O-N 3.07Å; A162-Y536 HydrophobicContact CB-CE2 3.65Å; A162-L579 HydrophobicContact CB-CD1 3.89Å
163F98.3Very high97.2Very high0 Ų029.6 Ų29.60%016%0.16CC..Hα-helixtrans-61.2-43.8176.1-179.6-103.6000112.6V159 W160 W161 Q165 L166 Y167 V172 I458 I468 P469 L470 F525 F529V159-F163 WeakPolarHBondContact O-CB 3.49Å; V159-F163 PolarHBondContact O-N 3.46Å; W160-F163 PolarHBondContact O-N 2.93Å; W161-F163 VanDerWaalsContact C-N 3.32Å; W161-F163 PolarHBondContact O-N 3.04Å; F163-Q165 VanDerWaalsContact C-N 3.32Å; F163-Q165 PolarHBondContact O-N 2.97Å; F163-L166 PolarHBondContact O-N 2.85Å; F163-L166 VanDerWaalsContact O-N 3.17Å; F163-Y167 WeakPolarHBondContact O-CB 3.34Å; F163-Y167 PolarHBondContact O-N 3.08Å; F163-V172 HydrophobicContact CD2-CG2 4.22Å; F163-V172 HydrophobicContact CE2-CB 4.41Å; F163-V172 HydrophobicContact CE2-CG1 3.75Å; F163-V172 HydrophobicContact CE2-CG2 3.77Å; F163-V172 HydrophobicContact CZ-CG1 3.75Å; F163-V172 HydrophobicContact CZ-CG2 4.33Å; F163-I458 HydrophobicContact CD2-CD1 3.97Å; F163-I458 HydrophobicContact CE2-CD1 3.47Å; F163-I458 VanDerWaalsContact CE2-CD1 3.47Å; F163-I468 HydrophobicContact CD1-CG2 4.49Å; F163-I468 HydrophobicContact CE1-CG2 3.79Å; F163-I468 HydrophobicContact CE2-CG2 4.38Å; F163-I468 HydrophobicContact CZ-CG2 3.7Å; F163-P469 HydrophobicContact CD1-CG 3.71Å; F163-P469 HydrophobicContact CE1-CG 4.28Å; F163-L470 HydrophobicContact CE1-CD1 4.06Å; F163-L470 HydrophobicContact CE1-CD2 3.83Å; F163-L470 HydrophobicContact CE1-CG 3.76Å; F163-L470 HydrophobicContact CZ-CD1 3.9Å; F163-L470 HydrophobicContact CZ-CD2 4.39Å; F163-L470 HydrophobicContact CZ-CG 4.12Å; F163-F525 HydrophobicContact CB-CE1 4.24Å; F163-F525 HydrophobicContact CB-CZ 3.66Å; F163-F525 HydrophobicContact CD1-CZ 4.07Å; F163-F525 AromaticContact CD2-CE1 3.52Å; F163-F525 HydrophobicContact CD2-CE1 3.52Å; F163-F525 AromaticContact CD2-CZ 3.6Å; F163-F525 HydrophobicContact CD2-CZ 3.6Å; F163-F525 HydrophobicContact CE2-CE1 4.03Å; F163-F525 HydrophobicContact CE2-CZ 4.23Å; F163-F525 AromaticContact CG-CE1 3.93Å; F163-F525 HydrophobicContact CG-CE1 3.93Å; F163-F525 AromaticContact CG-CZ 3.49Å; F163-F525 HydrophobicContact CG-CZ 3.49Å; F163-F525 VanDerWaalsContact CG-CZ 3.49Å; F163-F529 HydrophobicContact CB-CE1 4.29Å; F163-F529 HydrophobicContact CB-CZ 4.15Å; F163-F529 HydrophobicContact CD2-CZ 4.41Å
164K98.2Very high96.9Very high50 Ų5031.3 Ų31.322%0.21716%0.161CC..Hα-helixtrans-60.5-40.6175.6-175.3175.4-172.8-179.80111.9W160 W161 A162 L166 Y167 V168 C481 E487W160-K164 WeakPolarHBondContact O-CB 3.44Å; W160-K164 PolarHBondContact O-N 2.93Å; W161-K164 PolarHBondContact O-N 3.41Å; W161-K164 VanDerWaalsContact O-N 3.16Å; A162-K164 PolarHBondContact O-N 2.96Å; K164-L166 VanDerWaalsContact C-N 3.33Å; K164-L166 PolarHBondContact O-N 2.91Å; K164-Y167 PolarHBondContact O-N 3.29Å; K164-V168 HydrophobicContact CG-CG2 4.29Å; K164-V168 WeakPolarHBondContact O-CB 3.48Å; K164-V168 VanDerWaalsContact O-CG2 3.31Å; K164-V168 WeakPolarHBondContact O-CG2 3.37Å; K164-V168 PolarHBondContact O-N 2.93Å; K164-C481 WeakPolarHBondContact CE-O 3.4Å; K164-E487 IonicContact NZ-OE1 3.97Å; K164-E487 PolarHBondContact NZ-OE1 2.95Å; K164-E487 IonicContact NZ-OE2 2.91Å; K164-E487 PolarHBondContact NZ-OE2 2.85Å
165Q98Very high96.4Very high61 Ų6129.5 Ų29.529%0.28515%0.149SC..Hα-helixtrans-61.4-42.8175.3-65.1-48.4-53.700111.7W161 A162 F163 Y167 K169 L579W161-Q165 HydrophobicContact CD2-CG 4.06Å; W161-Q165 VanDerWaalsContact CE2-CG 3.47Å; W161-Q165 HydrophobicContact CH2-CG 4.16Å; W161-Q165 HydrophobicContact CZ2-CG 3.55Å; W161-Q165 WeakPolarHBondContact O-CG 3.32Å; W161-Q165 PolarHBondContact O-N 3Å; A162-Q165 PolarHBondContact O-N 3.44Å; F163-Q165 VanDerWaalsContact C-N 3.32Å; F163-Q165 PolarHBondContact O-N 2.97Å; Q165-Y167 VanDerWaalsContact C-N 3.34Å; Q165-K169 WeakPolarHBondContact O-CB 3.33Å; Q165-K169 VanDerWaalsContact O-CG 3.23Å; Q165-K169 WeakPolarHBondContact O-CG 3.31Å; Q165-K169 PolarHBondContact O-N 3.44Å; Q165-L579 HydrophobicContact CB-CD2 3.6Å; Q165-L579 HydrophobicContact CG-CD2 4.36Å
166L97.7Very high96Very high0 Ų029.8 Ų29.80%015%0.151CC..Hα-helixtrans-65.5-39.2176.2-62175.4000111.9A162 F163 K164 K169 G170 L171 V172 I418 F529 L575 A578 L579A162-L166 WeakPolarHBondContact O-CG 3.38Å; A162-L166 PolarHBondContact O-N 3.48Å; A162-L166 VanDerWaalsContact O-N 3.07Å; F163-L166 PolarHBondContact O-N 2.85Å; F163-L166 VanDerWaalsContact O-N 3.17Å; K164-L166 VanDerWaalsContact C-N 3.33Å; K164-L166 PolarHBondContact O-N 2.91Å; L166-K169 PolarHBondContact O-N 3.37Å; L166-G170 PolarHBondContact O-N 3.25Å; L166-L171 HydrophobicContact CB-CB 4.49Å; L166-L171 HydrophobicContact CD2-CD1 3.88Å; L166-L171 WeakPolarHBondContact O-CB 3.39Å; L166-L171 PolarHBondContact O-N 2.88Å; L166-V172 HydrophobicContact CB-CG2 3.8Å; L166-I418 HydrophobicContact CD1-CD1 3.8Å; L166-I418 HydrophobicContact CD1-CG1 4.45Å; L166-F529 HydrophobicContact CD1-CE2 3.83Å; L166-F529 HydrophobicContact CD1-CZ 3.98Å; L166-L575 HydrophobicContact CD1-CD2 3.89Å; L166-A578 HydrophobicContact CD2-CB 3.5Å; L166-A578 VanDerWaalsContact CD2-CB 3.5Å; L166-L579 HydrophobicContact CD2-CD2 3.87Å; L166-L579 HydrophobicContact CD2-CG 4.26Å; L166-L579 HydrophobicContact CG-CD2 4.03Å
167Y96.8Very high95.4Very high66 Ų6634.2 Ų34.226%0.25917%0.17SC..Hα-helixtrans-62.9-49176.8-175.1-93000111.5F163 K164 Q165 K169 G170 V172 L470 I479 C481F163-Y167 WeakPolarHBondContact O-CB 3.34Å; F163-Y167 PolarHBondContact O-N 3.08Å; K164-Y167 PolarHBondContact O-N 3.29Å; Q165-Y167 VanDerWaalsContact C-N 3.34Å; Y167-K169 VanDerWaalsContact C-N 3.26Å; Y167-K169 PolarHBondContact O-N 2.64Å; Y167-G170 PolarHBondContact O-N 2.85Å; Y167-V172 HydrophobicContact CD2-CB 3.99Å; Y167-V172 HydrophobicContact CD2-CG1 4.08Å; Y167-L470 HydrophobicContact CD2-CD2 4.19Å; Y167-L470 HydrophobicContact CE2-CD2 4.09Å; Y167-I479 HydrophobicContact CE2-CG2 4.4Å; Y167-C481 HydrophobicContact CD1-CB 3.61Å; Y167-C481 HydrophobicContact CD2-CB 4.49Å; Y167-C481 HydrophobicContact CE1-CB 3.94Å; Y167-C481 HydrophobicContact CG-CB 3.92Å
168V96.9Very high94.9Very high107 Ų10734.2 Ų34.265%0.64817%0.171SC*.Hα-helixtrans-63.2-32177.7172.10000112K164 G170K164-V168 HydrophobicContact CG-CG2 4.29Å; K164-V168 WeakPolarHBondContact O-CB 3.48Å; K164-V168 VanDerWaalsContact O-CG2 3.31Å; K164-V168 WeakPolarHBondContact O-CG2 3.37Å; K164-V168 PolarHBondContact O-N 2.93Å; V168-G170 PolarHBondContact O-N 3.42Å
169K96.5Very high94.3Very high105 Ų10536.4 Ų36.446%0.45718%0.182SC..THydrogen-bonded Turntrans-75.60.4173.9-70.6178.6-172.3-166.90114.1Q165 L166 Y167 L171 A578 L579Q165-K169 WeakPolarHBondContact O-CB 3.33Å; Q165-K169 VanDerWaalsContact O-CG 3.23Å; Q165-K169 WeakPolarHBondContact O-CG 3.31Å; Q165-K169 PolarHBondContact O-N 3.44Å; L166-K169 PolarHBondContact O-N 3.37Å; Y167-K169 VanDerWaalsContact C-N 3.26Å; Y167-K169 PolarHBondContact O-N 2.64Å; K169-L171 HydrophobicContact CB-CD1 4.22Å; K169-L171 HydrophobicContact CB-CG 4.16Å; K169-L171 PolarHBondContact O-N 2.69Å; K169-A578 PolarHBondContact NZ-O 2.91Å; K169-L579 PolarHBondContact NZ-O 3Å
170G95.1Very high93.8Very high43 Ų4336.5 Ų36.544%0.44318%0.183SC..THydrogen-bonded Turntrans71.414.1-178.800000114.4L166 Y167 V168 R419L166-G170 PolarHBondContact O-N 3.25Å; Y167-G170 PolarHBondContact O-N 2.85Å; V168-G170 PolarHBondContact O-N 3.42Å; G170-R419 PolarHBondContact O-NE 2.9Å
171L95.5Very high93.3Very high20 Ų2037 Ų3711%0.10519%0.185CC..  trans-84.3-13.9179.7-64.7174.9000112.4L166 K169 I418 R419 L423 A578L166-L171 HydrophobicContact CB-CB 4.49Å; L166-L171 HydrophobicContact CD2-CD1 3.88Å; L166-L171 WeakPolarHBondContact O-CB 3.39Å; L166-L171 PolarHBondContact O-N 2.88Å; K169-L171 HydrophobicContact CB-CD1 4.22Å; K169-L171 HydrophobicContact CB-CG 4.16Å; K169-L171 PolarHBondContact O-N 2.69Å; L171-I418 CarbonylContact O-C 3.57Å; L171-I418 WeakPolarHBondContact O-CA 3.36Å; L171-R419 HydrophobicContact CD2-CB 4.24Å; L171-R419 PolarHBondContact O-N 3.19Å; L171-L423 HydrophobicContact CD1-CD1 4.39Å; L171-A578 HydrophobicContact CD1-CB 3.97Å
172V95.4Very high92.7Very high12 Ų1235.3 Ų35.37%0.07318%0.179CC..EExtended strand (participates in β ladder)trans-100.3131.9178.1179.60000109.7F163 L166 Y167 W416 F417F163-V172 HydrophobicContact CD2-CG2 4.22Å; F163-V172 HydrophobicContact CE2-CB 4.41Å; F163-V172 HydrophobicContact CE2-CG1 3.75Å; F163-V172 HydrophobicContact CE2-CG2 3.77Å; F163-V172 HydrophobicContact CZ-CG1 3.75Å; F163-V172 HydrophobicContact CZ-CG2 4.33Å; L166-V172 HydrophobicContact CB-CG2 3.8Å; Y167-V172 HydrophobicContact CD2-CB 3.99Å; Y167-V172 HydrophobicContact CD2-CG1 4.08Å; V172-W416 HydrophobicContact CG1-CE3 3.86Å; V172-W416 HydrophobicContact CG1-CZ3 4.36Å; V172-F417 WeakPolarHBondContact CA-O 3.13Å
173Y92.7Very high92.1Very high16 Ų1635.9 Ų35.96%0.06318%0.182CC..EExtended strand (participates in β ladder)trans-142.6159172.773.8-81.2000111.3K345 E346 F417 R419 D455Y173-K345 HydrophobicContact CE2-CB 3.89Å; Y173-E346 HydrophobicContact CD2-CG 3.95Å; Y173-F417 HydrophobicContact CD1-CB 3.92Å; Y173-F417 HydrophobicContact CE1-CB 3.36Å; Y173-F417 HydrophobicContact CE1-CG 4.26Å; Y173-F417 HydrophobicContact CE2-CB 4.04Å; Y173-F417 HydrophobicContact CE2-CD2 4.1Å; Y173-F417 HydrophobicContact CE2-CG 4.24Å; Y173-F417 HydrophobicContact CG-CB 4.49Å; Y173-F417 AromaticContact CZ-CG 3.8Å; Y173-F417 PolarHBondContact N-O 3.47Å; Y173-F417 PolarHBondContact O-N 3.15Å; Y173-R419 HydrophobicContact CD1-CG 3.6Å; Y173-R419 HydrophobicContact CE1-CG 3.73Å; Y173-D455 HydrophobicContact CE1-CB 4.29Å; Y173-D455 PolarHBondContact OH-OD2 3.47Å
174R90.5Very high91Very high80 Ų8038.1 Ų38.130%0.30220%0.201SC..EExtended strand (participates in β ladder)trans-94.4124.2172-166.2174.474.7-173.21108.4W416R174-W416 HydrophobicContact CB-CD2 4.27Å; R174-W416 HydrophobicContact CB-CE3 4.01Å; R174-W416 HydrophobicContact CB-CH2 3.97Å; R174-W416 HydrophobicContact CB-CZ2 4.22Å; R174-W416 HydrophobicContact CB-CZ3 3.87Å; R174-W416 HydrophobicContact CG-CD2 4.38Å; R174-W416 HydrophobicContact CG-CH2 4.47Å; R174-W416 HydrophobicContact CG-CZ2 4.22Å
175G88.2Confident89.6Confident6 Ų636.9 Ų36.96%0.06220%0.198CC..EExtended strand (participates in β ladder)trans-137.1-157.5175.500000110.8K345 R414 S415G175-K345 WeakPolarHBondContact CA-O 3.31Å; G175-R414 WeakPolarHBondContact O-CA 3.43Å; G175-S415 PolarHBondContact N-O 3.01Å; G175-S415 PolarHBondContact O-N 3.05Å; G175-S415 VanDerWaalsContact O-O 3.1Å
176V88.2Confident88.5Confident9 Ų935.6 Ų35.66%0.05520%0.201CC..EExtended strand (participates in β ladder)trans-128151.3173-65.40000112.1Y328 Y334 P349 A412 V413 R414 F417V176-Y328 HydrophobicContact CG2-CD1 3.97Å; V176-Y328 HydrophobicContact CG2-CE1 3.78Å; V176-Y334 HydrophobicContact CG2-CD2 4.26Å; V176-Y334 HydrophobicContact CG2-CE2 3.37Å; V176-P349 HydrophobicContact CG1-CB 3.69Å; V176-P349 HydrophobicContact CG1-CG 3.73Å; V176-A412 HydrophobicContact CB-CB 4.03Å; V176-A412 HydrophobicContact CG1-CB 4.33Å; V176-A412 HydrophobicContact CG2-CB 4.2Å; V176-V413 WeakPolarHBondContact CA-O 3.4Å; V176-R414 HydrophobicContact CG1-CG 4.42Å; V176-F417 WeakPolarHBondContact O-CZ 3.21Å
177K85Confident87.4Confident94 Ų9436.9 Ų36.941%0.40921%0.209SC..EExtended strand (participates in β ladder)trans-122130.1167.1-164.4171.4176.81800108.7M179 V413 F417 A457K177-M179 HydrophobicContact CB-CG 4.06Å; K177-M179 HydrophobicContact CB-SD 4.41Å; K177-M179 HydrophobicContact CD-CG 4.04Å; K177-M179 HydrophobicContact CD-SD 3.88Å; K177-M179 HydrophobicContact CG-CG 3.79Å; K177-M179 HydrophobicContact CG-SD 4.25Å; K177-M179 PolarHBondContact O-N 3.08Å; K177-V413 PolarHBondContact N-O 2.77Å; K177-V413 PolarHBondContact O-N 3.23Å; K177-F417 HydrophobicContact CB-CZ 3.96Å; K177-A457 HydrophobicContact CD-CB 4.13Å
178V89.3Confident86.7Confident15 Ų1534.9 Ų34.99%0.09120%0.204CC..EExtended strand (participates in β ladder)trans-75.4119.9170.3-176.80000107.6Y334 Y410V178-Y334 HydrophobicContact CG2-CG 4.47Å; V178-Y410 HydrophobicContact CG1-CD1 4.34Å
179M85.7Confident85.5Confident45 Ų4530.2 Ų30.222%0.22218%0.176CC..EExtended strand (participates in β ladder)trans-137.5156.2-177.5-60.2-161.5-48.700110.9K177 F181 P188 Y410 K411 V413K177-M179 HydrophobicContact CB-CG 4.06Å; K177-M179 HydrophobicContact CB-SD 4.41Å; K177-M179 HydrophobicContact CD-CG 4.04Å; K177-M179 HydrophobicContact CD-SD 3.88Å; K177-M179 HydrophobicContact CG-CG 3.79Å; K177-M179 HydrophobicContact CG-SD 4.25Å; K177-M179 PolarHBondContact O-N 3.08Å; M179-F181 PolarHBondContact O-N 3.26Å; M179-P188 HydrophobicContact CE-CB 3.25Å; M179-P188 HydrophobicContact CE-CG 3.94Å; M179-Y410 WeakPolarHBondContact O-CA 3.4Å; M179-K411 PolarHBondContact N-O 3.24Å; M179-K411 PolarHBondContact O-N 3.09Å; M179-V413 HydrophobicContact CE-CB 4.22Å; M179-V413 HydrophobicContact CE-CG2 4.32Å
180P87.5Confident84.2Confident2 Ų226.8 Ų26.81%0.01317%0.165CC..EExtended strand (participates in β ladder)trans-57.1133.4166.4-15.527.1000109.7P188 V189 L408 I409 Y410P180-P188 WeakPolarHBondContact O-CA 3.23Å; P180-V189 HydrophobicContact CB-CB 4.43Å; P180-V189 PolarHBondContact O-N 3.16Å; P180-L408 HydrophobicContact CB-CD1 4.13Å; P180-I409 CarbonylContact C-O 3.39Å; P180-Y410 HydrophobicContact CB-CE1 4.42Å; P180-Y410 HydrophobicContact CG-CD1 4.35Å; P180-Y410 HydrophobicContact CG-CE1 3.69Å
181F88.4Confident82.8Confident11 Ų1130.5 Ų30.55%0.04818%0.175CC..EExtended strand (participates in β ladder)trans-133128.2-174.6-167.8-81.5000109.7M179 G186 P188 S355 I409 K411 V413M179-F181 PolarHBondContact O-N 3.26Å; F181-G186 WeakPolarHBondContact CZ-O 3.32Å; F181-P188 HydrophobicContact CD2-CB 4.39Å; F181-S355 VanDerWaalsContact CE1-O 3.31Å; F181-S355 WeakPolarHBondContact CE1-O 3.39Å; F181-I409 WeakPolarHBondContact CA-O 3.35Å; F181-I409 HydrophobicContact CB-CG1 4.18Å; F181-I409 WeakPolarHBondContact CB-O 3.38Å; F181-I409 PolarHBondContact N-O 3.46Å; F181-I409 PolarHBondContact O-N 3.45Å; F181-K411 HydrophobicContact CB-CB 4.03Å; F181-K411 HydrophobicContact CD2-CD 4.48Å; F181-K411 HydrophobicContact CG-CB 4.42Å; F181-K411 HydrophobicContact CG-CD 4.36Å; F181-V413 HydrophobicContact CD2-CG2 3.82Å; F181-V413 HydrophobicContact CE2-CG2 4.32Å
182S85.6Confident80.8Confident0 Ų037.8 Ų37.80%021%0.206CC..EExtended strand (participates in β ladder)trans-90.6111.1175.5175.90000109.3C185 G186 T187 C401S182-C185 PolarHBondContact O-N 2.92Å; S182-C185 WeakPolarHBondContact OG-CB 3.45Å; S182-C185 PolarHBondContact OG-N 2.96Å; S182-C185 PolarHBondContact OG-SG 3.47Å; S182-C185 VanDerWaalsContact OG-SG 3.33Å; S182-G186 WeakPolarHBondContact O-CA 3.5Å; S182-G186 PolarHBondContact O-N 2.83Å; S182-T187 PolarHBondContact N-O 2.59Å; S182-T187 PolarHBondContact O-N 3.33Å; S182-C401 PolarHBondContact OG-SG 3.16Å
183T85.6Confident79Confident11 Ų1137.9 Ų37.97%0.06721%0.205CC..THydrogen-bonded Turntrans-68.7-34.6179.5510000112.3Y370 I409T183-Y370 HydrophobicContact CG2-CE2 3.92Å; T183-Y370 PolarHBondContact OG1-OH 3.43Å; T183-I409 HydrophobicContact CG2-CD1 3.63Å; T183-I409 HydrophobicContact CG2-CG1 3.91Å
184A73.6Confident78Confident48 Ų4837.4 Ų37.440%0.39720%0.204SC..THydrogen-bonded Turntrans-69.5-36.8175.900000112.4T406A184-T406 HydrophobicContact CB-CG2 3.79Å; A184-T406 WeakPolarHBondContact CB-OG1 3.46Å
185C68.9Low77.1Confident24 Ų2435.8 Ų35.816%0.16221%0.213CC..THydrogen-bonded Turntrans-90.5-12.8179.3-56.30000112.9P105 S182 T187P105-C185 WeakPolarHBondContact CD-O 3.35Å; P105-C185 VanDerWaalsContact CG-O 3.3Å; P105-C185 WeakPolarHBondContact CG-O 3.16Å; S182-C185 PolarHBondContact O-N 2.92Å; S182-C185 WeakPolarHBondContact OG-CB 3.45Å; S182-C185 PolarHBondContact OG-N 2.96Å; S182-C185 PolarHBondContact OG-SG 3.47Å; S182-C185 VanDerWaalsContact OG-SG 3.33Å; C185-T187 VanDerWaalsContact C-N 3.3Å; C185-T187 HydrophobicContact CB-CG2 3.78Å; C185-T187 PolarHBondContact O-N 3.47Å
186G75.7Confident76.2Confident34 Ų3440.2 Ų40.235%0.35123%0.232SC..THydrogen-bonded Turntrans65.227-17800000114.7F181 S182 S355F181-G186 WeakPolarHBondContact CZ-O 3.32Å; S182-G186 WeakPolarHBondContact O-CA 3.5Å; S182-G186 PolarHBondContact O-N 2.83Å; G186-S355 WeakPolarHBondContact CA-O 3.39Å
187T74.7Confident75.7Confident26 Ų2641.2 Ų41.216%0.1624%0.237CC..EExtended strand (participates in β ladder)trans-139.9147.3-173.4-178.20000112.7P105 S182 C185P105-T187 HydrophobicContact CG-CG2 4.04Å; S182-T187 PolarHBondContact N-O 2.59Å; S182-T187 PolarHBondContact O-N 3.33Å; C185-T187 VanDerWaalsContact C-N 3.3Å; C185-T187 HydrophobicContact CB-CG2 3.78Å; C185-T187 PolarHBondContact O-N 3.47Å
188P82.2Confident75.8Confident24 Ų2442.2 Ų42.216%0.15624%0.239CC..EExtended strand (participates in β ladder)trans-56.6149.1161.723.9-33.4000111.9M179 P180 F181 V413 N461M179-P188 HydrophobicContact CE-CB 3.25Å; M179-P188 HydrophobicContact CE-CG 3.94Å; P180-P188 WeakPolarHBondContact O-CA 3.23Å; F181-P188 HydrophobicContact CD2-CB 4.39Å; P188-V413 HydrophobicContact CB-CG2 4.23Å; P188-V413 HydrophobicContact CG-CG1 4.29Å; P188-N461 HydrophobicContact CG-CB 4.1Å
189V71.7Confident75.5Confident10 Ų1044.9 Ų44.96%0.06125%0.249CC..  trans-119.9138.2179.2-176.60000108P180 E193 L408P180-V189 HydrophobicContact CB-CB 4.43Å; P180-V189 PolarHBondContact O-N 3.16Å; V189-E193 HydrophobicContact CG1-CB 3.24Å; V189-E193 HydrophobicContact CG1-CG 4.33Å; V189-L408 HydrophobicContact CG2-CD2 3.96Å
190S68.4Low75.7Confident32 Ų3248.8 Ų48.822%0.22427%0.267CS..  trans-69.4157.6178.665.60000111.8F192 E193 S194S190-F192 PolarHBondContact O-N 3.04Å; S190-F192 VanDerWaalsContact O-N 3.17Å; S190-E193 WeakPolarHBondContact CB-OE2 3.27Å; S190-E193 PolarHBondContact N-OE2 3.48Å; S190-E193 PolarHBondContact O-N 3.24Å; S190-E193 WeakPolarHBondContact OG-CB 3.46Å; S190-E193 VanDerWaalsContact OG-CG 3.28Å; S190-E193 WeakPolarHBondContact OG-CG 3.43Å; S190-E193 PolarHBondContact OG-N 3.19Å; S190-E193 PolarHBondContact OG-OE2 2.83Å; S190-S194 PolarHBondContact O-N 3.46Å; S190-S194 PolarHBondContact O-OG 3.38Å
191N65.8Low75.8Confident121 Ų12150 Ų5065%0.64727%0.274SS*.Hα-helixtrans-58-30.5175.6-69.1-0.2000112.8S194 G195N191-S194 WeakPolarHBondContact CA-OG 3.3Å; N191-S194 PolarHBondContact O-OG 3.25Å; N191-S194 VanDerWaalsContact O-OG 3.13Å; N191-G195 PolarHBondContact O-N 2.85Å
192F53.3Low75.9Confident174 Ų17453.8 Ų53.876%0.76330%0.298SS*.Hα-helixtrans-68.2-41.8174.9-75.8-77.7000112S190 G195 Q196S190-F192 PolarHBondContact O-N 3.04Å; S190-F192 VanDerWaalsContact O-N 3.17Å; F192-G195 PolarHBondContact O-N 3.34Å; F192-Q196 WeakPolarHBondContact O-CG 3.44Å
193E58.8Low76.1Confident13 Ų1354.5 Ų54.56%0.06130%0.302CS..Hα-helixtrans-74-37.2179.6-73.4171.9116.700112.1V189 S190 G195 Q196 W402 R403V189-E193 HydrophobicContact CG1-CB 3.24Å; V189-E193 HydrophobicContact CG1-CG 4.33Å; S190-E193 WeakPolarHBondContact CB-OE2 3.27Å; S190-E193 PolarHBondContact N-OE2 3.48Å; S190-E193 PolarHBondContact O-N 3.24Å; S190-E193 WeakPolarHBondContact OG-CB 3.46Å; S190-E193 VanDerWaalsContact OG-CG 3.28Å; S190-E193 WeakPolarHBondContact OG-CG 3.43Å; S190-E193 PolarHBondContact OG-N 3.19Å; S190-E193 PolarHBondContact OG-OE2 2.83Å; E193-G195 PolarHBondContact O-N 2.7Å; E193-Q196 PolarHBondContact O-N 2.96Å; E193-W402 PolarHBondContact OE1-NE1 2.97Å; E193-R403 IonicContact OE1-CZ 3.66Å; E193-R403 IonicContact OE1-NE 2.84Å; E193-R403 IonicContact OE1-NH2 2.75Å; E193-R403 PolarHBondContact OE1-NH2 3.02Å
194S71.8Confident76.5Confident6 Ų655.7 Ų55.74%0.04231%0.31CS..Hα-helixtrans-67.2-24.317566.70000112.4S190 N191 Q196 Y198S190-S194 PolarHBondContact O-N 3.46Å; S190-S194 PolarHBondContact O-OG 3.38Å; N191-S194 WeakPolarHBondContact CA-OG 3.3Å; N191-S194 PolarHBondContact O-OG 3.25Å; N191-S194 VanDerWaalsContact O-OG 3.13Å; S194-Q196 VanDerWaalsContact C-N 3.31Å; S194-Q196 PolarHBondContact O-N 3.43Å; S194-Y198 VanDerWaalsContact O-CE2 3.31Å; S194-Y198 WeakPolarHBondContact O-CE2 3.47Å
195G71.8Confident77.4Confident46 Ų4653.6 Ų53.647%0.47429%0.292SS..THydrogen-bonded Turntrans-70-17173.700000115.6N191 F192 E193N191-G195 PolarHBondContact O-N 2.85Å; F192-G195 PolarHBondContact O-N 3.34Å; E193-G195 PolarHBondContact O-N 2.7Å
196Q67.7Low78.7Confident100 Ų10052.4 Ų52.447%0.46729%0.285SS..THydrogen-bonded Turntrans-84.7-20.6-166.6-72.81797.600114.9F192 E193 S194 W402F192-Q196 WeakPolarHBondContact O-CG 3.44Å; E193-Q196 PolarHBondContact O-N 2.96Å; S194-Q196 VanDerWaalsContact C-N 3.31Å; S194-Q196 PolarHBondContact O-N 3.43Å; Q196-W402 HydrophobicContact CB-CB 4.07Å
197N78.6Confident79.7Confident29 Ų2950.9 Ų50.916%0.15527%0.268CS..  trans-140.664.7-170.6-167.921.8000111.4K199 F400 C401 W402 D405N197-K199 WeakPolarHBondContact OD1-CE 3.38Å; N197-F400 HydrophobicContact CB-CB 4.48Å; N197-F400 WeakPolarHBondContact O-CA 3.37Å; N197-F400 WeakPolarHBondContact O-CB 3.35Å; N197-F400 PolarHBondContact O-N 3.36Å; N197-C401 PolarHBondContact ND2-O 2.74Å; N197-C401 VanDerWaalsContact ND2-O 3.15Å; N197-W402 HydrophobicContact CB-CB 3.95Å; N197-D405 PolarHBondContact ND2-OD1 2.83Å
198Y86.1Confident80.7Confident116 Ų11649.7 Ų49.746%0.45526%0.261SS..EExtended strand (participates in β ladder)trans-79.2135.8169.2-87.1-95.9000110.3S194 P399S194-Y198 VanDerWaalsContact O-CE2 3.31Å; S194-Y198 WeakPolarHBondContact O-CE2 3.47Å; Y198-P399 HydrophobicContact CD1-CB 4.43Å; Y198-P399 HydrophobicContact CE1-CB 3.93Å; Y198-P399 HydrophobicContact CE1-CG 4.32Å; Y198-P399 HydrophobicContact CE2-CB 4.22Å
199K84.4Confident81.4Confident71 Ų7148.5 Ų48.531%0.30925%0.253SS..EExtended strand (participates in β ladder)trans-132.7145.3178.5-60.7-173.7-174.8-1790110.3N197 V201 Y398 F400 D405N197-K199 WeakPolarHBondContact OD1-CE 3.38Å; K199-V201 PolarHBondContact O-N 3.45Å; K199-Y398 PolarHBondContact N-O 3Å; K199-Y398 PolarHBondContact O-N 3.46Å; K199-F400 HydrophobicContact CB-CD2 4.02Å; K199-F400 HydrophobicContact CB-CE2 4.2Å; K199-F400 HydrophobicContact CD-CB 4.41Å; K199-F400 HydrophobicContact CD-CD1 4.04Å; K199-F400 HydrophobicContact CD-CD2 4.31Å; K199-F400 HydrophobicContact CD-CE1 4.43Å; K199-F400 HydrophobicContact CD-CG 3.99Å; K199-F400 HydrophobicContact CG-CD2 4.26Å; K199-F400 HydrophobicContact CG-CG 4.29Å; K199-D405 WeakPolarHBondContact CE-OD1 3.38Å; K199-D405 VanDerWaalsContact NZ-CG 3.31Å; K199-D405 IonicContact NZ-OD1 3.14Å; K199-D405 PolarHBondContact NZ-OD1 2.61Å
200E89.9Confident82.6Confident127 Ų12748 Ų4859%0.59325%0.25SS*.EExtended strand (participates in β ladder)trans-70125.1168.2-71.2-62.6141.900109.5T395 H396 S397E200-T395 HydrophobicContact CB-CG2 4.44Å; E200-H396 WeakPolarHBondContact CA-O 3.41Å; E200-H396 WeakPolarHBondContact OE2-CA 3.41Å; E200-S397 WeakPolarHBondContact OE1-CB 3.31Å
201V88.9Confident83.9Confident28 Ų2847.3 Ų47.317%0.1725%0.245CC..EExtended strand (participates in β ladder)trans-132.2150.5177.4-63.10000111.3K199 T395 H396 Y398 F400K199-V201 PolarHBondContact O-N 3.45Å; V201-T395 VanDerWaalsContact O-CA 3.3Å; V201-T395 WeakPolarHBondContact O-CA 3.47Å; V201-H396 PolarHBondContact N-O 3.03Å; V201-H396 PolarHBondContact O-N 3.29Å; V201-Y398 HydrophobicContact CG2-CG 4.06Å; V201-F400 HydrophobicContact CG1-CE2 3.36Å; V201-F400 HydrophobicContact CG1-CZ 3.49Å; V201-F400 VanDerWaalsContact CG1-CZ 3.49Å
202T90.4Very high85.3Confident90 Ų9042 Ų4255%0.55222%0.217SC*.EExtended strand (participates in β ladder)trans-97.2103.7171.9-56.30000109T393 T394 T395T202-T393 HydrophobicContact CG2-CG2 4.34Å; T202-T394 WeakPolarHBondContact CA-O 3.31Å; T202-T395 PolarHBondContact OG1-OG1 3.31Å
203D90.6Very high87.3Confident14 Ų1436.9 Ų36.98%0.07520%0.199CC..EExtended strand (participates in β ladder)trans-99.5155.8177.1-84.5-45.9000111.1K372 T393 T394 H396D203-K372 IonicContact OD1-NZ 3.93Å; D203-K372 PolarHBondContact OD1-NZ 3.15Å; D203-K372 IonicContact OD2-NZ 2.8Å; D203-T393 WeakPolarHBondContact O-CA 3.45Å; D203-T394 PolarHBondContact N-O 2.88Å; D203-T394 PolarHBondContact O-N 3.42Å; D203-H396 IonicContact OD2-CD2 3.46Å; D203-H396 IonicContact OD2-CE1 2.67Å; D203-H396 IonicContact OD2-NE2 2.86Å; D203-H396 PolarHBondContact OD2-NE2 3.3Å
204P92.7Very high88.9Confident36 Ų3640.9 Ų40.923%0.23423%0.227CC..EExtended strand (participates in β ladder)trans-58.4141.5169-18.731000110.6T225 P227 D375P204-T225 CarbonylContact O-C 3.59Å; P204-T225 WeakPolarHBondContact O-CA 3.39Å; P204-P227 HydrophobicContact CB-CG 4.03Å; P204-P227 HydrophobicContact CG-CG 4.43Å; P204-D375 HydrophobicContact CG-CB 4.41Å
205S93.8Very high89.8Confident4 Ų443 Ų433%0.02824%0.239CC..EExtended strand (participates in β ladder)trans-123.9108.7171.7164.20000107.6W223 S392S205-W223 PolarHBondContact OG-NE1 3.09Å; S205-S392 WeakPolarHBondContact CB-OG 3.3Å; S205-S392 PolarHBondContact N-O 2.75Å; S205-S392 CarbonylContact O-C 3.56Å; S205-S392 PolarHBondContact O-N 3.24Å; S205-S392 PolarHBondContact O-OG 2.91Å; S205-S392 PolarHBondContact OG-OG 3.31Å
206V95.7Very high90.6Very high0 Ų045.1 Ų45.10%024%0.244CC..EExtended strand (participates in β ladder)trans-121.9140.5-173.8-62.30000111.5V208 W223 T224 P227 V379 L388 H390 Q391V206-V208 HydrophobicContact CB-CG2 4.48Å; V206-V208 HydrophobicContact CG2-CG2 4.08Å; V206-W223 WeakPolarHBondContact O-CA 3.45Å; V206-T224 HydrophobicContact CG2-CG2 3.69Å; V206-T224 PolarHBondContact N-O 3.13Å; V206-T224 PolarHBondContact O-N 3.01Å; V206-P227 HydrophobicContact CG2-CB 4.49Å; V206-P227 HydrophobicContact CG2-CG 3.96Å; V206-V379 HydrophobicContact CG1-CG1 4.46Å; V206-V379 HydrophobicContact CG1-CG2 3.87Å; V206-L388 HydrophobicContact CB-CD1 3.97Å; V206-L388 HydrophobicContact CG1-CD1 4.12Å; V206-H390 WeakPolarHBondContact CA-O 3.27Å; V206-Q391 HydrophobicContact CG1-CG 4.28Å
207M96Very high91.7Very high1 Ų144.8 Ų44.81%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-108.1128.8168.6-55.6-168.7-151.900108.8V221 A222 W223 F265 L266 T320 V389 H390M207-V221 HydrophobicContact CB-CG1 3.93Å; M207-A222 CarbonylContact C-O 3.59Å; M207-A222 WeakPolarHBondContact CA-O 3.49Å; M207-W223 HydrophobicContact CG-CB 4.43Å; M207-F265 HydrophobicContact CE-CD1 3.24Å; M207-F265 HydrophobicContact CE-CE1 3.31Å; M207-F265 HydrophobicContact CE-CG 3.9Å; M207-F265 HydrophobicContact CE-CZ 4Å; M207-F265 WeakPolarHBondContact CE-O 3.45Å; M207-F265 HydrophobicContact SD-CD1 4.16Å; M207-F265 HydrophobicContact SD-CE1 4.31Å; M207-L266 HydrophobicContact CE-CB 4.44Å; M207-L266 HydrophobicContact CE-CD1 4.41Å; M207-L266 HydrophobicContact SD-CB 4.2Å; M207-L266 HydrophobicContact SD-CD1 3.92Å; M207-T320 HydrophobicContact CG-CG2 4.32Å; M207-T320 HydrophobicContact SD-CG2 3.81Å; M207-V389 HydrophobicContact CB-CB 4.2Å; M207-V389 PolarHBondContact O-N 3.43Å; M207-H390 HydrophobicContact CB-CB 4.01Å; M207-H390 HydrophobicContact CE-CB 4.31Å; M207-H390 HydrophobicContact CG-CB 4.04Å; M207-H390 PolarHBondContact N-O 2.95Å; M207-H390 PolarHBondContact O-N 3.26Å; M207-H390 HydrophobicContact SD-CB 4.16Å
208V96.7Very high92.5Very high1 Ų143.6 Ų43.61%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-126.8138.5-171.7-161.90000109.8V206 F210 A222 L230 L292 L382 R387V206-V208 HydrophobicContact CB-CG2 4.48Å; V206-V208 HydrophobicContact CG2-CG2 4.08Å; V208-F210 HydrophobicContact CB-CE2 4.31Å; V208-A222 PolarHBondContact N-O 2.8Å; V208-A222 PolarHBondContact O-N 2.94Å; V208-L230 HydrophobicContact CG2-CD1 4.01Å; V208-L292 HydrophobicContact CB-CD1 4.48Å; V208-L292 HydrophobicContact CG1-CD1 3.75Å; V208-L292 HydrophobicContact CG1-CD2 3.45Å; V208-L292 VanDerWaalsContact CG1-CD2 3.45Å; V208-L292 HydrophobicContact CG1-CG 4.25Å; V208-L382 HydrophobicContact CG1-CD1 4.21Å; V208-L382 HydrophobicContact CG1-CD2 4.09Å; V208-L382 HydrophobicContact CG2-CD1 4.16Å; V208-R387 CarbonylContact C-O 3.6Å; V208-R387 WeakPolarHBondContact CA-O 3.44Å; V208-R387 HydrophobicContact CG1-CB 4.22Å; V208-R387 VanDerWaalsContact CG1-O 3.23Å; V208-R387 WeakPolarHBondContact CG1-O 3.27Å
209S95.9Very high93Very high0 Ų038.7 Ų38.70%022%0.224CC..EExtended strand (participates in β ladder)trans-88.3145.5-179.365.80000112.8L220 R387S209-L220 CarbonylContact C-O 3.59Å; S209-L220 WeakPolarHBondContact CA-O 3.38Å; S209-R387 PolarHBondContact N-O 3.3Å; S209-R387 PolarHBondContact O-NE 2.9Å; S209-R387 PolarHBondContact O-NH2 3.47Å; S209-R387 WeakPolarHBondContact OG-CA 3.28Å; S209-R387 PolarHBondContact OG-NE 3.09Å; S209-R387 PolarHBondContact OG-O 3.46Å
210F96.9Very high93.6Very high0 Ų035.3 Ų35.30%021%0.209CC..EExtended strand (participates in β ladder)trans-13393.4176.5-65.4-94.9000110V208 N219 L220 A222 L236 Y289 L292V208-F210 HydrophobicContact CB-CE2 4.31Å; F210-N219 CarbonylContact O-C 3.55Å; F210-N219 WeakPolarHBondContact O-CA 3.32Å; F210-L220 HydrophobicContact CB-CB 4.15Å; F210-L220 PolarHBondContact N-O 2.88Å; F210-L220 PolarHBondContact O-N 3.48Å; F210-A222 HydrophobicContact CD2-CB 4.21Å; F210-A222 HydrophobicContact CE2-CB 3.77Å; F210-L236 HydrophobicContact CB-CD1 3.85Å; F210-L236 HydrophobicContact CD1-CD1 4.31Å; F210-L236 HydrophobicContact CD1-CD2 4.49Å; F210-L236 HydrophobicContact CD2-CD1 4.09Å; F210-L236 HydrophobicContact CD2-CD2 4.15Å; F210-L236 HydrophobicContact CE1-CD2 4.28Å; F210-L236 HydrophobicContact CE2-CD2 3.99Å; F210-L236 HydrophobicContact CG-CD1 3.85Å; F210-L236 HydrophobicContact CG-CD2 4.4Å; F210-L236 HydrophobicContact CZ-CD2 4.03Å; F210-Y289 HydrophobicContact CB-CD2 4.04Å; F210-Y289 HydrophobicContact CB-CG 4.33Å; F210-Y289 AromaticContact CD1-CD2 3.48Å; F210-Y289 HydrophobicContact CD1-CD2 3.48Å; F210-Y289 VanDerWaalsContact CD1-CD2 3.48Å; F210-Y289 AromaticContact CD1-CE2 3.45Å; F210-Y289 HydrophobicContact CD1-CE2 3.45Å; F210-Y289 VanDerWaalsContact CD1-CE2 3.45Å; F210-Y289 HydrophobicContact CD1-CG 4.44Å; F210-Y289 HydrophobicContact CE1-CD2 4.32Å; F210-Y289 AromaticContact CE1-CE2 3.84Å; F210-Y289 HydrophobicContact CE1-CE2 3.84Å; F210-Y289 HydrophobicContact CG-CD2 4.17Å; F210-Y289 HydrophobicContact CG-CE2 4.43Å; F210-L292 HydrophobicContact CD1-CD2 4.47Å; F210-L292 HydrophobicContact CD1-CG 4.21Å; F210-L292 HydrophobicContact CE1-CD1 3.77Å; F210-L292 HydrophobicContact CE1-CD2 4.19Å; F210-L292 HydrophobicContact CE1-CG 3.54Å; F210-L292 HydrophobicContact CE2-CD1 4.28Å; F210-L292 HydrophobicContact CZ-CD1 3.46Å; F210-L292 VanDerWaalsContact CZ-CD1 3.46Å; F210-L292 HydrophobicContact CZ-CD2 4.34Å; F210-L292 HydrophobicContact CZ-CG 3.76Å
211P96.4Very high93.9Very high16 Ų1629.3 Ų29.310%0.10418%0.181CC..EExtended strand (participates in β ladder)trans-56.2137.7175.2-18.826.8000111.1V218 N219 Y289 V290P211-V218 CarbonylContact C-O 3.52Å; P211-V218 VanDerWaalsContact CA-O 3.29Å; P211-V218 WeakPolarHBondContact CA-O 3.35Å; P211-N219 WeakPolarHBondContact CD-OD1 3.42Å; P211-N219 VanDerWaalsContact CG-OD1 3.28Å; P211-N219 WeakPolarHBondContact CG-OD1 3.4Å; P211-Y289 CarbonylContact O-C 3.5Å; P211-Y289 VanDerWaalsContact O-CA 3.25Å; P211-Y289 WeakPolarHBondContact O-CA 3.18Å; P211-Y289 WeakPolarHBondContact O-CB 3.25Å; P211-V290 HydrophobicContact CB-CB 4.47Å; P211-V290 HydrophobicContact CB-CG2 4.35Å; P211-V290 PolarHBondContact O-N 2.98Å
212L95.8Very high94.3Very high11 Ų1128 Ų286%0.05817%0.174CC..BIsolated β-bridgetrans-72.6145.7171.3-66.4176.4000110.3D215 P216 V218 L220 L287 D288L212-D215 CarbonylContact O-C 3.53Å; L212-D215 VanDerWaalsContact O-C 3.24Å; L212-P216 VanDerWaalsContact O-CA 3.28Å; L212-P216 WeakPolarHBondContact O-CA 3.24Å; L212-V218 HydrophobicContact CD1-CB 4.15Å; L212-V218 HydrophobicContact CD1-CG1 3.88Å; L212-V218 PolarHBondContact N-O 3.16Å; L212-L220 HydrophobicContact CD2-CD1 3.59Å; L212-L220 HydrophobicContact CD2-CG 4.15Å; L212-L287 HydrophobicContact CD1-CD1 4.32Å; L212-L287 HydrophobicContact CD2-CB 4.12Å; L212-L287 HydrophobicContact CD2-CD1 4.38Å; L212-D288 WeakPolarHBondContact CA-O 3.48Å
213V93.3Very high94.5Very high66 Ų6626.8 Ų26.840%0.416%0.159SC..SBendtrans-73.1-36.3175.5174.70000111D215 D288 V290V213-D215 VanDerWaalsContact C-N 3.33Å; V213-D288 HydrophobicContact CB-CB 3.76Å; V213-D288 HydrophobicContact CG2-CB 3.75Å; V213-D288 PolarHBondContact N-O 3.01Å; V213-V290 HydrophobicContact CG2-CG2 4.13Å
214C92.3Very high94.7Very high96 Ų9626.7 Ų26.765%0.64916%0.159SC*.SBendtrans-70.6-28.6178.6590000113.4
215D91.9Very high94.8Very high52 Ų5226 Ų2628%0.27815%0.154SC..  trans-146.591.7175.5-176.8-4.8000109.6L212 V213 T217 V218 K246L212-D215 CarbonylContact O-C 3.53Å; L212-D215 VanDerWaalsContact O-C 3.24Å; V213-D215 VanDerWaalsContact C-N 3.33Å; D215-T217 PolarHBondContact O-N 3.42Å; D215-T217 WeakPolarHBondContact OD1-CB 3.26Å; D215-T217 PolarHBondContact OD1-N 2.87Å; D215-T217 VanDerWaalsContact OD1-N 3.09Å; D215-T217 PolarHBondContact OD1-OG1 3.04Å; D215-T217 PolarHBondContact OD2-OG1 3.2Å; D215-V218 HydrophobicContact CB-CG2 4.25Å; D215-V218 PolarHBondContact O-N 2.92Å; D215-V218 WeakPolarHBondContact OD2-CG2 3.45Å; D215-K246 IonicContact OD2-NZ 3.8Å
216P89.3Confident94.8Very high89 Ų8927.1 Ų27.158%0.57816%0.161SC*.THydrogen-bonded Turntrans-61.4-12.7-178.8-25.835.6000114.7L212 V218L212-P216 VanDerWaalsContact O-CA 3.28Å; L212-P216 WeakPolarHBondContact O-CA 3.24Å; P216-V218 VanDerWaalsContact C-N 3.27Å
217T90.7Very high94.8Very high93 Ų9327.1 Ų27.157%0.57116%0.161SC*.THydrogen-bonded Turntrans-75.9-18.6175.773.80000112.5D215 N219D215-T217 PolarHBondContact O-N 3.42Å; D215-T217 WeakPolarHBondContact OD1-CB 3.26Å; D215-T217 PolarHBondContact OD1-N 2.87Å; D215-T217 VanDerWaalsContact OD1-N 3.09Å; D215-T217 PolarHBondContact OD1-OG1 3.04Å; D215-T217 PolarHBondContact OD2-OG1 3.2Å; T217-N219 PolarHBondContact O-ND2 2.92Å
218V94.3Very high94.8Very high4 Ų427.4 Ų27.42%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-104.7129.3-175.8-178.10000110.5P211 L212 D215 P216 K246 V255 V257P211-V218 CarbonylContact C-O 3.52Å; P211-V218 VanDerWaalsContact CA-O 3.29Å; P211-V218 WeakPolarHBondContact CA-O 3.35Å; L212-V218 HydrophobicContact CD1-CB 4.15Å; L212-V218 HydrophobicContact CD1-CG1 3.88Å; L212-V218 PolarHBondContact N-O 3.16Å; D215-V218 HydrophobicContact CB-CG2 4.25Å; D215-V218 PolarHBondContact O-N 2.92Å; D215-V218 WeakPolarHBondContact OD2-CG2 3.45Å; P216-V218 VanDerWaalsContact C-N 3.27Å; V218-K246 VanDerWaalsContact CG2-NZ 3.35Å; V218-V255 HydrophobicContact CG1-CG1 4.37Å; V218-V255 HydrophobicContact CG2-CB 4.37Å; V218-V255 HydrophobicContact CG2-CG1 4.11Å; V218-V257 HydrophobicContact CG1-CG2 3.56Å
219N96.3Very high94.7Very high14 Ų1427.7 Ų27.78%0.07516%0.164CC..EExtended strand (participates in β ladder)trans-121.7121.1-172.5-68-98.7000111.1F210 P211 T217 V255 Y256 V257F210-N219 CarbonylContact O-C 3.55Å; F210-N219 WeakPolarHBondContact O-CA 3.32Å; P211-N219 WeakPolarHBondContact CD-OD1 3.42Å; P211-N219 VanDerWaalsContact CG-OD1 3.28Å; P211-N219 WeakPolarHBondContact CG-OD1 3.4Å; T217-N219 PolarHBondContact O-ND2 2.92Å; N219-V255 WeakPolarHBondContact CB-O 3.19Å; N219-V255 PolarHBondContact N-O 3.32Å; N219-Y256 HydrophobicContact CB-CD1 3.81Å; N219-Y256 HydrophobicContact CB-CE1 4.13Å; N219-Y256 CarbonylContact O-C 3.47Å; N219-Y256 VanDerWaalsContact O-CA 3.23Å; N219-Y256 WeakPolarHBondContact O-CA 3.48Å; N219-V257 PolarHBondContact O-N 2.94Å
220L97Very high94.7Very high0 Ų027.9 Ų27.90%017%0.165CC..EExtended strand (participates in β ladder)trans-69.4136165.2-68.9157.6000109.3S209 F210 L212 L236 V257 L284 V308 V322S209-L220 CarbonylContact C-O 3.59Å; S209-L220 WeakPolarHBondContact CA-O 3.38Å; F210-L220 HydrophobicContact CB-CB 4.15Å; F210-L220 PolarHBondContact N-O 2.88Å; F210-L220 PolarHBondContact O-N 3.48Å; L212-L220 HydrophobicContact CD2-CD1 3.59Å; L212-L220 HydrophobicContact CD2-CG 4.15Å; L220-L236 HydrophobicContact CB-CD1 3.96Å; L220-L236 HydrophobicContact CD1-CD1 3.72Å; L220-L236 HydrophobicContact CG-CD1 4.48Å; L220-V257 HydrophobicContact CD2-CB 3.88Å; L220-V257 HydrophobicContact CD2-CG1 3.72Å; L220-L284 HydrophobicContact CD2-CD1 4.07Å; L220-L284 HydrophobicContact CD2-CD2 4.38Å; L220-V308 HydrophobicContact CD1-CG2 3.46Å; L220-V308 VanDerWaalsContact CD1-CG2 3.46Å; L220-V322 HydrophobicContact CD2-CG2 4.44Å
221V96.7Very high94.7Very high0 Ų028 Ų280%017%0.166CC..EExtended strand (participates in β ladder)trans-110.2112.9179.5-174.20000109.3M207 Y256 V257 T320 V322 V389M207-V221 HydrophobicContact CB-CG1 3.93Å; V221-Y256 HydrophobicContact CG2-CD1 3.34Å; V221-Y256 HydrophobicContact CG2-CD2 4.45Å; V221-Y256 HydrophobicContact CG2-CE1 4.15Å; V221-Y256 HydrophobicContact CG2-CG 3.56Å; V221-V257 PolarHBondContact N-O 2.69Å; V221-T320 HydrophobicContact CG1-CG2 4.07Å; V221-T320 VanDerWaalsContact O-CB 3.24Å; V221-T320 WeakPolarHBondContact O-CB 3.36Å; V221-T320 PolarHBondContact O-OG1 3.25Å; V221-V322 WeakPolarHBondContact O-CB 3.47Å; V221-V389 HydrophobicContact CG1-CB 4.45Å; V221-V389 HydrophobicContact CG1-CG1 4.45Å; V221-V389 HydrophobicContact CG1-CG2 4.31Å; V221-V389 HydrophobicContact CG2-CG2 4.41Å
222A97Very high94.6Very high2 Ų227.5 Ų27.52%0.01716%0.162CC..EExtended strand (participates in β ladder)trans-105.4148175.200000111M207 V208 F210 L236 V322 H324M207-A222 CarbonylContact C-O 3.59Å; M207-A222 WeakPolarHBondContact CA-O 3.49Å; V208-A222 PolarHBondContact N-O 2.8Å; V208-A222 PolarHBondContact O-N 2.94Å; F210-A222 HydrophobicContact CD2-CB 4.21Å; F210-A222 HydrophobicContact CE2-CB 3.77Å; A222-L236 HydrophobicContact CB-CD2 4.12Å; A222-V322 WeakPolarHBondContact CA-O 3.48Å; A222-V322 HydrophobicContact CB-CB 4.41Å; A222-V322 HydrophobicContact CB-CG1 4.22Å; A222-V322 WeakPolarHBondContact CB-O 3.38Å; A222-H324 HydrophobicContact CB-CB 4.4Å
223W95.8Very high94.6Very high64 Ų6427.2 Ų27.224%0.24216%0.161CC..EExtended strand (participates in β ladder)trans-110.3143.9176.9167.278.7000111.4S205 V206 M207 T225 F265 T320S205-W223 PolarHBondContact OG-NE1 3.09Å; V206-W223 WeakPolarHBondContact O-CA 3.45Å; M207-W223 HydrophobicContact CG-CB 4.43Å; W223-T225 HydrophobicContact CH2-CG2 3.91Å; W223-T225 HydrophobicContact CZ2-CG2 3.44Å; W223-T225 VanDerWaalsContact CZ2-CG2 3.44Å; W223-F265 HydrophobicContact CB-CE1 4.44Å; W223-F265 AromaticContact CD1-CE1 3.66Å; W223-F265 AromaticContact CD1-CZ 3.98Å; W223-F265 HydrophobicContact CD2-CE1 4.41Å; W223-F265 AromaticContact CG-CE1 3.92Å; W223-F265 HydrophobicContact CG-CE1 3.92Å; W223-F265 HydrophobicContact CG-CZ 4.5Å; W223-F265 AromaticContact NE1-CE1 3.94Å; W223-F265 AromaticContact NE1-CZ 3.78Å; W223-T320 HydrophobicContact CB-CG2 3.89Å
224T95.1Very high94.8Very high11 Ų1124.2 Ų24.27%0.06714%0.142CC..EExtended strand (participates in β ladder)trans-149.6148.9171.5-175.10000112.1V206 T226 L230V206-T224 HydrophobicContact CG2-CG2 3.69Å; V206-T224 PolarHBondContact N-O 3.13Å; V206-T224 PolarHBondContact O-N 3.01Å; T224-T226 PolarHBondContact OG1-N 2.76Å; T224-T226 PolarHBondContact OG1-OG1 3.3Å; T224-L230 HydrophobicContact CG2-CD1 4.14Å; T224-L230 HydrophobicContact CG2-CD2 4.03Å; T224-L230 HydrophobicContact CG2-CG 4.16Å
225T93.4Very high95Very high23 Ų2319.6 Ų19.614%0.14111%0.112CC..SBendtrans-94.3-3.6167.253.50000113.5P204 W223 P227 T394P204-T225 CarbonylContact O-C 3.59Å; P204-T225 WeakPolarHBondContact O-CA 3.39Å; W223-T225 HydrophobicContact CH2-CG2 3.91Å; W223-T225 HydrophobicContact CZ2-CG2 3.44Å; W223-T225 VanDerWaalsContact CZ2-CG2 3.44Å; T225-P227 WeakPolarHBondContact O-CD 3.33Å; T225-T394 HydrophobicContact CG2-CG2 3.76Å
226T94.2Very high95.3Very high27 Ų2717.1 Ų17.117%0.16610%0.098CC..  trans-125.772.7-175.952.10000110.8T224 W228 T229T224-T226 PolarHBondContact OG1-N 2.76Å; T224-T226 PolarHBondContact OG1-OG1 3.3Å; T226-W228 PolarHBondContact O-N 2.95Å; T226-T229 PolarHBondContact O-N 3.11Å; T226-T229 PolarHBondContact O-OG1 3.03Å; T226-T229 PolarHBondContact OG1-OG1 2.62Å
227P95.7Very high95.7Very high0 Ų012.9 Ų12.90%07%0.071CC..G310 helixtrans-50.9-33.4179.4-23.730.2000113.8P204 V206 T225 T229 L230 D375 I378 V379P204-P227 HydrophobicContact CB-CG 4.03Å; P204-P227 HydrophobicContact CG-CG 4.43Å; V206-P227 HydrophobicContact CG2-CB 4.49Å; V206-P227 HydrophobicContact CG2-CG 3.96Å; T225-P227 WeakPolarHBondContact O-CD 3.33Å; P227-T229 PolarHBondContact O-N 3.44Å; P227-T229 VanDerWaalsContact O-N 3.11Å; P227-L230 HydrophobicContact CB-CD1 4.41Å; P227-L230 VanDerWaalsContact O-CB 3.25Å; P227-L230 WeakPolarHBondContact O-CB 3.28Å; P227-L230 WeakPolarHBondContact O-CG 3.43Å; P227-L230 PolarHBondContact O-N 2.82Å; P227-D375 HydrophobicContact CB-CB 4.43Å; P227-D375 WeakPolarHBondContact CB-OD1 3.47Å; P227-D375 VanDerWaalsContact CD-OD1 3.29Å; P227-D375 WeakPolarHBondContact CD-OD1 3.15Å; P227-D375 HydrophobicContact CG-CB 4.36Å; P227-I378 HydrophobicContact CB-CG2 4.14Å; P227-V379 HydrophobicContact CB-CG2 4.03Å; P227-V379 HydrophobicContact CG-CG2 3.98Å
228W95.5Very high96Very high6 Ų68.5 Ų8.52%0.0234%0.044CC..G310 helixtrans-59.1-1617574-93000115.3T226 P231 F329 Y359 V371 D375 I378 I409T226-W228 PolarHBondContact O-N 2.95Å; W228-P231 WeakPolarHBondContact O-CD 3.29Å; W228-F329 HydrophobicContact CH2-CB 4.28Å; W228-F329 AromaticContact CH2-CD1 3.53Å; W228-F329 HydrophobicContact CH2-CD1 3.53Å; W228-F329 HydrophobicContact CH2-CE1 4.12Å; W228-F329 HydrophobicContact CH2-CG 4.05Å; W228-F329 AromaticContact CZ3-CD1 3.46Å; W228-F329 HydrophobicContact CZ3-CD1 3.46Å; W228-F329 VanDerWaalsContact CZ3-CD1 3.46Å; W228-F329 AromaticContact CZ3-CE1 3.62Å; W228-F329 HydrophobicContact CZ3-CE1 3.62Å; W228-F329 HydrophobicContact CZ3-CG 4.02Å; W228-F329 HydrophobicContact CZ3-CZ 4.29Å; W228-Y359 VanDerWaalsContact CA-OH 3.27Å; W228-Y359 WeakPolarHBondContact CA-OH 3.26Å; W228-Y359 WeakPolarHBondContact CB-OH 3.45Å; W228-Y359 PolarHBondContact O-OH 2.92Å; W228-V371 HydrophobicContact CB-CB 3.97Å; W228-V371 VanDerWaalsContact CB-O 3.31Å; W228-V371 WeakPolarHBondContact CB-O 3.2Å; W228-V371 HydrophobicContact CD2-CB 3.85Å; W228-V371 HydrophobicContact CD2-CG1 4.21Å; W228-V371 HydrophobicContact CD2-CG2 4.35Å; W228-V371 HydrophobicContact CE3-CB 3.83Å; W228-V371 HydrophobicContact CE3-CG1 3.65Å; W228-V371 HydrophobicContact CE3-CG2 4.43Å; W228-V371 HydrophobicContact CG-CB 3.93Å; W228-V371 HydrophobicContact CZ3-CG1 4.24Å; W228-D375 WeakPolarHBondContact CB-OD1 3.42Å; W228-D375 PolarHBondContact N-OD1 3.44Å; W228-I378 HydrophobicContact CB-CD1 4.32Å; W228-I409 HydrophobicContact CH2-CB 4.05Å; W228-I409 HydrophobicContact CH2-CG2 4.31Å; W228-I409 HydrophobicContact CZ2-CB 4.06Å; W228-I409 HydrophobicContact CZ2-CG2 3.97Å
229T95.8Very high96.2Very high8 Ų89 Ų95%0.0495%0.046CC..G310 helixtrans-84.1-19.3174.559.70000112.8T226 P227 S232 H324 F329T226-T229 PolarHBondContact O-N 3.11Å; T226-T229 PolarHBondContact O-OG1 3.03Å; T226-T229 PolarHBondContact OG1-OG1 2.62Å; P227-T229 PolarHBondContact O-N 3.44Å; P227-T229 VanDerWaalsContact O-N 3.11Å; T229-S232 WeakPolarHBondContact O-CA 3.48Å; T229-S232 PolarHBondContact O-N 3.33Å; T229-H324 PolarHBondContact O-CE1 3.41Å; T229-H324 PolarHBondContact OG1-NE2 3.47Å; T229-F329 HydrophobicContact CG2-CB 4.15Å; T229-F329 HydrophobicContact CG2-CG 4.47Å
230L96.3Very high96.2Very high3 Ų39.4 Ų9.42%0.0165%0.05CC..G310 helixtrans-60-37.6-175.3-64.5172000114.9V208 T224 P227 S232 N233 L292 F293 H324 I378 L382V208-L230 HydrophobicContact CG2-CD1 4.01Å; T224-L230 HydrophobicContact CG2-CD1 4.14Å; T224-L230 HydrophobicContact CG2-CD2 4.03Å; T224-L230 HydrophobicContact CG2-CG 4.16Å; P227-L230 HydrophobicContact CB-CD1 4.41Å; P227-L230 VanDerWaalsContact O-CB 3.25Å; P227-L230 WeakPolarHBondContact O-CB 3.28Å; P227-L230 WeakPolarHBondContact O-CG 3.43Å; P227-L230 PolarHBondContact O-N 2.82Å; L230-S232 PolarHBondContact O-N 3.3Å; L230-S232 VanDerWaalsContact O-N 3.1Å; L230-N233 VanDerWaalsContact O-CB 3.28Å; L230-N233 WeakPolarHBondContact O-CB 3.37Å; L230-N233 PolarHBondContact O-N 3.08Å; L230-N233 VanDerWaalsContact O-N 3.09Å; L230-L292 HydrophobicContact CB-CD1 4.1Å; L230-L292 HydrophobicContact CD1-CD1 4.25Å; L230-L292 HydrophobicContact CD2-CD1 3.88Å; L230-L292 HydrophobicContact CG-CD1 4.31Å; L230-F293 HydrophobicContact CB-CE2 4.19Å; L230-H324 HydrophobicContact CD2-CB 4.44Å; L230-I378 HydrophobicContact CD1-CG2 4.49Å; L230-L382 HydrophobicContact CD1-CD1 3.64Å
231P95.3Very high96.1Very high3 Ų314.7 Ų14.72%0.0198%0.078CC..G310 helixtrans-55.5-23.6171.8-3038.8000114.4W228 F293 Y295 F296 Y359 V363 I378W228-P231 WeakPolarHBondContact O-CD 3.29Å; P231-F293 HydrophobicContact CB-CD2 4.37Å; P231-F293 HydrophobicContact CG-CD2 4.36Å; P231-F293 HydrophobicContact CG-CE2 4.03Å; P231-F293 HydrophobicContact CG-CZ 4.26Å; P231-Y295 HydrophobicContact CB-CD2 4.18Å; P231-Y295 HydrophobicContact CB-CE2 4Å; P231-F296 WeakPolarHBondContact O-CE2 3.44Å; P231-Y359 HydrophobicContact CB-CE1 4.44Å; P231-Y359 HydrophobicContact CG-CE1 4.36Å; P231-V363 HydrophobicContact CB-CG1 4.25Å; P231-V363 HydrophobicContact CB-CG2 4.15Å; P231-I378 HydrophobicContact CG-CD1 4.1Å
232S95.1Very high96.1Very high5 Ų517.1 Ų17.14%0.0359%0.091CC..G310 helixtrans-10318.3-178.8-54.30000113.1T229 L230 F329 P352T229-S232 WeakPolarHBondContact O-CA 3.48Å; T229-S232 PolarHBondContact O-N 3.33Å; L230-S232 PolarHBondContact O-N 3.3Å; L230-S232 VanDerWaalsContact O-N 3.1Å; S232-F329 WeakPolarHBondContact OG-CE2 3.47Å; S232-P352 WeakPolarHBondContact OG-CD 3.49Å; S232-P352 WeakPolarHBondContact OG-CG 3.34Å
233N96.3Very high96.1Very high6 Ų621.6 Ų21.63%0.03211%0.111CC..  trans-64.1132.2176177.9-123.4000111.9L230 A235 Y289 F306 H324 Q325L230-N233 VanDerWaalsContact O-CB 3.28Å; L230-N233 WeakPolarHBondContact O-CB 3.37Å; L230-N233 PolarHBondContact O-N 3.08Å; L230-N233 VanDerWaalsContact O-N 3.09Å; N233-A235 PolarHBondContact ND2-O 3.47Å; N233-Y289 PolarHBondContact ND2-OH 2.98Å; N233-Y289 WeakPolarHBondContact OD1-CE2 3.46Å; N233-Y289 PolarHBondContact OD1-OH 3.4Å; N233-F306 VanDerWaalsContact O-CE1 3.25Å; N233-F306 WeakPolarHBondContact O-CE1 3.34Å; N233-H324 VanDerWaalsContact CB-CE1 3.48Å; N233-H324 WeakPolarHBondContact CB-CE1 3.38Å; N233-H324 VanDerWaalsContact CB-ND1 3.35Å; N233-H324 WeakPolarHBondContact CB-ND1 3.39Å; N233-H324 PolarHBondContact ND2-ND1 2.92Å; N233-Q325 WeakPolarHBondContact CA-O 3.3Å; N233-Q325 PolarHBondContact ND2-O 3.04Å
234L96.2Very high96.1Very high2 Ų218.5 Ų18.51%0.0110%0.1CC..  trans-127.3-15173.8-65.5179.8000114.2F296 M299 F306 Q325 P327 I342 I343 I350L234-F296 HydrophobicContact CD2-CB 4.08Å; L234-M299 HydrophobicContact CD2-CB 4.31Å; L234-M299 HydrophobicContact CD2-CG 4.21Å; L234-F306 HydrophobicContact CD2-CE1 4.34Å; L234-F306 HydrophobicContact CD2-CZ 4.09Å; L234-F306 PolarHBondContact O-N 3.42Å; L234-Q325 PolarHBondContact N-O 2.87Å; L234-P327 HydrophobicContact CD1-CG 3.78Å; L234-P327 HydrophobicContact CG-CG 4.5Å; L234-I342 HydrophobicContact CB-CG2 4.15Å; L234-I342 HydrophobicContact CD1-CG2 4.4Å; L234-I343 HydrophobicContact CD1-CG2 4.42Å; L234-I350 HydrophobicContact CD1-CD1 4.26Å
235A97.3Very high96.2Very high0 Ų018 Ų180%010%0.096CC..EExtended strand (participates in β ladder)trans-156.3171.2176.100000111.8N233 Y289 L309 Q325 I342N233-A235 PolarHBondContact ND2-O 3.47Å; A235-Y289 WeakPolarHBondContact CA-OH 3.45Å; A235-Y289 PolarHBondContact N-OH 2.99Å; A235-Y289 PolarHBondContact O-OH 3.45Å; A235-L309 HydrophobicContact CB-CD1 3.75Å; A235-L309 HydrophobicContact CB-CG 3.95Å; A235-Q325 HydrophobicContact CB-CB 3.95Å; A235-Q325 HydrophobicContact CB-CG 3.92Å; A235-Q325 WeakPolarHBondContact O-CB 3.43Å; A235-Q325 PolarHBondContact O-N 3.35Å; A235-I342 HydrophobicContact CB-CD1 3.68Å
236L97.9Very high96.4Very high0 Ų018.8 Ų18.80%010%0.098CC..EExtended strand (participates in β ladder)trans-115.1148.9162.8-64.3176.6000108.1F210 L220 A222 Y289 R307 V308 L309 V322 V323 H324F210-L236 HydrophobicContact CB-CD1 3.85Å; F210-L236 HydrophobicContact CD1-CD1 4.31Å; F210-L236 HydrophobicContact CD1-CD2 4.49Å; F210-L236 HydrophobicContact CD2-CD1 4.09Å; F210-L236 HydrophobicContact CD2-CD2 4.15Å; F210-L236 HydrophobicContact CE1-CD2 4.28Å; F210-L236 HydrophobicContact CE2-CD2 3.99Å; F210-L236 HydrophobicContact CG-CD1 3.85Å; F210-L236 HydrophobicContact CG-CD2 4.4Å; F210-L236 HydrophobicContact CZ-CD2 4.03Å; L220-L236 HydrophobicContact CB-CD1 3.96Å; L220-L236 HydrophobicContact CD1-CD1 3.72Å; L220-L236 HydrophobicContact CG-CD1 4.48Å; A222-L236 HydrophobicContact CB-CD2 4.12Å; L236-Y289 HydrophobicContact CB-CE1 4.19Å; L236-Y289 HydrophobicContact CD1-CD1 3.88Å; L236-Y289 HydrophobicContact CD1-CD2 4.48Å; L236-Y289 HydrophobicContact CD1-CE1 3.99Å; L236-Y289 HydrophobicContact CD1-CG 4.14Å; L236-Y289 HydrophobicContact CG-CD1 4.06Å; L236-Y289 HydrophobicContact CG-CE1 3.63Å; L236-Y289 HydrophobicContact CG-CE2 4.45Å; L236-R307 PolarHBondContact N-O 3.27Å; L236-V308 HydrophobicContact CB-CG2 4.35Å; L236-V308 CarbonylContact O-C 3.44Å; L236-V308 WeakPolarHBondContact O-CA 3.5Å; L236-L309 PolarHBondContact O-N 3.48Å; L236-V322 HydrophobicContact CB-CG1 4.03Å; L236-V322 HydrophobicContact CD1-CG1 4.12Å; L236-V322 HydrophobicContact CD2-CG1 4.32Å; L236-V322 HydrophobicContact CG-CG1 4.37Å; L236-V323 CarbonylContact C-O 3.38Å; L236-V323 WeakPolarHBondContact CA-O 3.25Å; L236-H324 HydrophobicContact CD2-CB 4.31Å
237C97.8Very high96.4Very high0 Ų017.5 Ų17.50%09%0.09CC..EExtended strand (participates in β ladder)trans-122.2139.3174.9-165.80000111.2L309 D311 Y313 V314 V323 Q325C237-L309 WeakPolarHBondContact CA-O 3.45Å; C237-D311 PolarHBondContact SG-N 3.29Å; C237-Y313 HydrophobicContact CB-CE1 4.14Å; C237-V314 HydrophobicContact CB-CG2 4.21Å; C237-V323 PolarHBondContact N-O 2.84Å; C237-V323 PolarHBondContact O-N 3.35Å; C237-Q325 HydrophobicContact CB-CG 4.05Å
238V97.6Very high96.4Very high0 Ų021.5 Ų21.50%011%0.105CC..EExtended strand (participates in β ladder)trans-128158175.6-63.40000110.3Y244 L284 V308 L309 C310 D311 V322V238-Y244 WeakPolarHBondContact CA-OH 3.34Å; V238-Y244 HydrophobicContact CB-CE1 4.08Å; V238-Y244 HydrophobicContact CB-CE2 4.12Å; V238-Y244 VanDerWaalsContact CB-OH 3.3Å; V238-Y244 WeakPolarHBondContact CB-OH 3.41Å; V238-Y244 HydrophobicContact CG1-CE1 3.8Å; V238-L284 HydrophobicContact CG1-CD1 4.12Å; V238-L284 HydrophobicContact CG2-CB 4.33Å; V238-V308 HydrophobicContact CB-CG1 4.43Å; V238-V308 HydrophobicContact CG1-CG1 3.98Å; V238-V308 HydrophobicContact CG2-CG1 3.69Å; V238-L309 WeakPolarHBondContact CG2-O 3.4Å; V238-L309 PolarHBondContact N-O 2.93Å; V238-C310 VanDerWaalsContact O-CA 3.27Å; V238-C310 WeakPolarHBondContact O-CA 3.35Å; V238-D311 PolarHBondContact O-N 2.6Å; V238-D311 VanDerWaalsContact O-N 3.13Å; V238-V322 HydrophobicContact CG1-CB 4.49Å; V238-V322 HydrophobicContact CG1-CG1 4.28Å; V238-V322 HydrophobicContact CG1-CG2 4.07Å
239N97.3Very high96.2Very high14 Ų1421.8 Ų21.88%0.07511%0.107CC..  trans-80.1127.1171.5-169.9-56.4000109.4N241 L242 Y244 G281 E312 V314N239-N241 VanDerWaalsContact C-N 3.26Å; N239-N241 PolarHBondContact O-N 3.21Å; N239-N241 PolarHBondContact OD1-N 3.13Å; N239-L242 HydrophobicContact CB-CB 4.03Å; N239-L242 HydrophobicContact CB-CD1 3.7Å; N239-L242 HydrophobicContact CB-CG 3.85Å; N239-L242 PolarHBondContact OD1-N 3.07Å; N239-Y244 PolarHBondContact N-OH 3.07Å; N239-Y244 WeakPolarHBondContact O-CE2 3.36Å; N239-G281 WeakPolarHBondContact O-CA 3.36Å; N239-E312 PolarHBondContact ND2-O 3.25Å; N239-V314 HydrophobicContact CB-CB 4.17Å; N239-V314 WeakPolarHBondContact CB-O 3.41Å; N239-V314 PolarHBondContact ND2-O 3.45Å
240P96Very high95.9Very high23 Ų2327 Ų2715%0.14913%0.129CC..SBendtrans-65.5-27.7-177.625.3-33.3000113.8K282 C310 E312P240-K282 HydrophobicContact CB-CB 4.34Å; P240-K282 WeakPolarHBondContact O-CB 3.42Å; P240-K282 PolarHBondContact O-N 2.64Å; P240-K282 VanDerWaalsContact O-N 3.12Å; P240-C310 HydrophobicContact CB-CB 4.06Å; P240-C310 HydrophobicContact CG-CB 4.31Å; P240-E312 HydrophobicContact CG-CG 4.31Å
241N96Very high95.4Very high111 Ų11134.6 Ų34.659%0.59416%0.164SC*.SBendtrans-100.7-14.4-169.2-57.9-36.8000113.5N239 E312N239-N241 VanDerWaalsContact C-N 3.26Å; N239-N241 PolarHBondContact O-N 3.21Å; N239-N241 PolarHBondContact OD1-N 3.13Å; N241-E312 PolarHBondContact ND2-OE1 2.8Å
242L95.8Very high94.9Very high51 Ų5139.4 Ų39.427%0.26719%0.187SC..SBendtrans-87.7156.5178.8-61.6177.3000111.6N239 Y244 M259 G281N239-L242 HydrophobicContact CB-CB 4.03Å; N239-L242 HydrophobicContact CB-CD1 3.7Å; N239-L242 HydrophobicContact CB-CG 3.85Å; N239-L242 PolarHBondContact OD1-N 3.07Å; L242-Y244 HydrophobicContact CB-CE2 4.44Å; L242-Y244 WeakPolarHBondContact O-CD2 3.4Å; L242-M259 HydrophobicContact CB-CE 3.86Å; L242-M259 HydrophobicContact CB-SD 4.4Å; L242-M259 HydrophobicContact CD1-CE 3.37Å; L242-M259 HydrophobicContact CD1-SD 3.91Å; L242-M259 HydrophobicContact CG-CE 4.25Å; L242-G281 PolarHBondContact O-N 3.15Å
243E97Very high94.5Very high96 Ų9644.9 Ų44.945%0.44922%0.215SC..EExtended strand (participates in β ladder)trans-88131.6-177.6-65.1-167.510100112.5M259 E260 K278E243-M259 WeakPolarHBondContact O-CG 3.45Å; E243-E260 PolarHBondContact O-N 3.43Å; E243-K278 VanDerWaalsContact CD-NZ 3.27Å; E243-K278 WeakPolarHBondContact OE1-CE 3.45Å; E243-K278 IonicContact OE1-NZ 2.75Å; E243-K278 PolarHBondContact OE1-NZ 3.15Å; E243-K278 WeakPolarHBondContact OE2-CE 3.45Å; E243-K278 IonicContact OE2-NZ 3.75Å; E243-K278 PolarHBondContact OE2-NZ 3.45Å
244Y97.5Very high94.2Very high0 Ų048 Ų480%023%0.227CC..EExtended strand (participates in β ladder)trans-114.1151.5176.3-69.6-103000109.8V238 N239 L242 M258 M259 K278 F279 L284 G321 V322V238-Y244 WeakPolarHBondContact CA-OH 3.34Å; V238-Y244 HydrophobicContact CB-CE1 4.08Å; V238-Y244 HydrophobicContact CB-CE2 4.12Å; V238-Y244 VanDerWaalsContact CB-OH 3.3Å; V238-Y244 WeakPolarHBondContact CB-OH 3.41Å; V238-Y244 HydrophobicContact CG1-CE1 3.8Å; N239-Y244 PolarHBondContact N-OH 3.07Å; N239-Y244 WeakPolarHBondContact O-CE2 3.36Å; L242-Y244 HydrophobicContact CB-CE2 4.44Å; L242-Y244 WeakPolarHBondContact O-CD2 3.4Å; Y244-M258 WeakPolarHBondContact CA-O 3.29Å; Y244-M259 HydrophobicContact CD1-CB 4.18Å; Y244-M259 HydrophobicContact CE1-CB 3.97Å; Y244-M259 HydrophobicContact CE1-CE 4.48Å; Y244-M259 HydrophobicContact CE2-CE 4.27Å; Y244-M259 WeakPolarHBondContact OH-CE 3.3Å; Y244-K278 WeakPolarHBondContact O-CA 3.37Å; Y244-F279 PolarHBondContact N-O 3.18Å; Y244-F279 PolarHBondContact O-N 2.78Å; Y244-F279 VanDerWaalsContact O-O 3.09Å; Y244-L284 HydrophobicContact CD1-CD1 4Å; Y244-L284 HydrophobicContact CG-CD1 4.04Å; Y244-G321 VanDerWaalsContact CE1-O 3.28Å; Y244-G321 WeakPolarHBondContact CE1-O 3.43Å; Y244-G321 PolarHBondContact OH-O 3.44Å; Y244-V322 HydrophobicContact CD1-CG2 4.4Å; Y244-V322 HydrophobicContact CE1-CG2 3.93Å
245V96.8Very high94.2Very high0 Ų048.4 Ų48.40%023%0.229CC..EExtended strand (participates in β ladder)trans-125.4141.3-177.5-71.80000110.4V247 V257 M258 E260 L263 L275 E277 K278V245-V247 HydrophobicContact CB-CG1 4.16Å; V245-V247 HydrophobicContact CG2-CG1 4Å; V245-V257 WeakPolarHBondContact O-CA 3.42Å; V245-M258 HydrophobicContact CG2-CG 4.44Å; V245-M258 WeakPolarHBondContact CG2-O 3.27Å; V245-M258 PolarHBondContact N-O 3.2Å; V245-M258 PolarHBondContact O-N 3.16Å; V245-E260 HydrophobicContact CG1-CB 3.78Å; V245-E260 HydrophobicContact CG1-CG 3.91Å; V245-E260 HydrophobicContact CG2-CB 4.4Å; V245-L263 HydrophobicContact CG2-CD1 3.96Å; V245-L263 HydrophobicContact CG2-CD2 3.97Å; V245-L263 HydrophobicContact CG2-CG 3.98Å; V245-L275 HydrophobicContact CB-CD1 3.62Å; V245-L275 HydrophobicContact CG1-CD1 3.63Å; V245-E277 CarbonylContact C-O 3.53Å; V245-E277 VanDerWaalsContact CA-O 3.31Å; V245-E277 WeakPolarHBondContact CA-O 3.27Å; V245-K278 HydrophobicContact CG1-CB 4.3Å; V245-K278 HydrophobicContact CG1-CG 3.98Å
246K96.3Very high94.2Very high40 Ų4048.7 Ų48.717%0.17423%0.23CC..EExtended strand (participates in β ladder)trans-97.9115166.6-176.2176.6-179.9173.20107.3D215 V218 V255 Y256 V257 M276 E277 F279D215-K246 IonicContact OD2-NZ 3.8Å; V218-K246 VanDerWaalsContact CG2-NZ 3.35Å; K246-V255 HydrophobicContact CD-CG1 4.14Å; K246-V255 HydrophobicContact CG-CG1 3.48Å; K246-V255 VanDerWaalsContact CG-CG1 3.48Å; K246-Y256 CarbonylContact C-O 3.6Å; K246-Y256 WeakPolarHBondContact CA-O 3.37Å; K246-V257 HydrophobicContact CB-CG2 4.24Å; K246-V257 HydrophobicContact CG-CG2 4.27Å; K246-M276 HydrophobicContact CB-CB 4.46Å; K246-M276 HydrophobicContact CG-CB 4.28Å; K246-M276 HydrophobicContact CG-SD 4.31Å; K246-M276 WeakPolarHBondContact O-CA 3.48Å; K246-M276 WeakPolarHBondContact O-CB 3.33Å; K246-M276 PolarHBondContact O-N 2.93Å; K246-E277 HydrophobicContact CB-CB 4.02Å; K246-E277 PolarHBondContact N-O 3.32Å; K246-E277 PolarHBondContact O-N 2.89Å; K246-F279 HydrophobicContact CB-CE1 4.03Å
247V95.1Very high94.1Very high0 Ų048.8 Ų48.80%023%0.231CC..EExtended strand (participates in β ladder)trans-123.1141.1-177.1-62.70000110.5V245 V255 Y256 L263 Y267 Y273 E274 L275V245-V247 HydrophobicContact CB-CG1 4.16Å; V245-V247 HydrophobicContact CG2-CG1 4Å; V247-V255 CarbonylContact O-C 3.44Å; V247-V255 WeakPolarHBondContact O-CA 3.43Å; V247-Y256 PolarHBondContact N-O 2.95Å; V247-Y256 PolarHBondContact O-N 3.36Å; V247-L263 HydrophobicContact CG1-CD2 3.9Å; V247-L263 HydrophobicContact CG2-CD2 4.22Å; V247-Y267 HydrophobicContact CG2-CE2 4.07Å; V247-Y273 HydrophobicContact CB-CD2 3.98Å; V247-Y273 HydrophobicContact CB-CG 4.47Å; V247-Y273 HydrophobicContact CG1-CD2 3.69Å; V247-Y273 HydrophobicContact CG1-CE2 4.1Å; V247-E274 CarbonylContact C-O 3.46Å; V247-E274 WeakPolarHBondContact CA-O 3.33Å; V247-L275 HydrophobicContact CG1-CD1 3.81Å
248R94.9Very high94Very high84 Ų8448.8 Ų48.832%0.31723%0.231SC..EExtended strand (participates in β ladder)trans-94.8119.9169.5178.7-176.4-71.7149.9-8.4109.2K250 N253 R254 V255 Y273 E274 M276R248-K250 PolarHBondContact O-N 2.95Å; R248-N253 WeakPolarHBondContact CD-OD1 3.49Å; R248-R254 CarbonylContact C-O 3.47Å; R248-R254 WeakPolarHBondContact CA-O 3.49Å; R248-V255 HydrophobicContact CB-CG2 4.38Å; R248-Y273 CarbonylContact O-C 3.44Å; R248-Y273 VanDerWaalsContact O-CA 3.3Å; R248-Y273 WeakPolarHBondContact O-CA 3.4Å; R248-E274 HydrophobicContact CB-CB 4.29Å; R248-E274 IonicContact CZ-OE2 3.54Å; R248-E274 PolarHBondContact N-O 3.42Å; R248-E274 IonicContact NH1-OE2 2.84Å; R248-E274 PolarHBondContact NH1-OE2 2.92Å; R248-E274 PolarHBondContact O-N 3.37Å; R248-M276 HydrophobicContact CB-CG 4.4Å; R248-M276 HydrophobicContact CB-SD 4.08Å
249D92Very high93.9Very high11 Ų1149 Ų496%0.05923%0.232CC..EExtended strand (participates in β ladder)trans-68.5120.3172.1-171.177000110.1E251 H252 N253 R254 Y256 Y267D249-E251 PolarHBondContact OD2-N 2.87Å; D249-H252 WeakPolarHBondContact OD2-CB 3.5Å; D249-H252 IonicContact OD2-CG 3.76Å; D249-H252 PolarHBondContact OD2-N 3.43Å; D249-H252 IonicContact OD2-ND1 3.81Å; D249-H252 PolarHBondContact OD2-ND1 3.01Å; D249-N253 WeakPolarHBondContact O-CA 2.79Å; D249-N253 PolarHBondContact O-N 3.39Å; D249-R254 WeakPolarHBondContact CB-O 3.45Å; D249-R254 PolarHBondContact N-O 2.99Å; D249-Y256 HydrophobicContact CB-CD2 4.01Å; D249-Y256 HydrophobicContact CB-CE2 3.72Å; D249-Y267 WeakPolarHBondContact CB-OH 3.41Å; D249-Y267 WeakPolarHBondContact OD1-CE1 3.22Å; D249-Y267 PolarHBondContact OD1-OH 2.88Å
250K89.3Confident93.8Very high119 Ų11951.5 Ų51.552%0.51724%0.243SC..THydrogen-bonded Turntrans-76.9-25.5-176.8-67.7-177.3-170.1153.90113.3R248 S271 E272 Y273R248-K250 PolarHBondContact O-N 2.95Å; K250-S271 WeakPolarHBondContact CD-O 3.37Å; K250-S271 PolarHBondContact NZ-O 3.07Å; K250-E272 WeakPolarHBondContact CB-O 3.28Å; K250-E272 PolarHBondContact N-O 3.04Å; K250-E272 VanDerWaalsContact N-O 3.1Å; K250-Y273 VanDerWaalsContact CE-O 3.22Å; K250-Y273 WeakPolarHBondContact CE-O 3.35Å; K250-Y273 PolarHBondContact NZ-O 3.42Å; K250-Y273 VanDerWaalsContact NZ-O 3.16Å
251E86.6Confident93.7Very high161 Ų16153.3 Ų53.375%0.75226%0.26SS*.THydrogen-bonded Turntrans-72.1-47.3-179.1-174.2179.9-175.100111.4D249D249-E251 PolarHBondContact OD2-N 2.87Å
252H84Confident93.6Very high105 Ų10550.2 Ų50.249%0.48624%0.24SC..THydrogen-bonded Turntrans-106.2-2.6-175.3-53.287.7000113.6D249 R254D249-H252 WeakPolarHBondContact OD2-CB 3.5Å; D249-H252 IonicContact OD2-CG 3.76Å; D249-H252 PolarHBondContact OD2-N 3.43Å; D249-H252 IonicContact OD2-ND1 3.81Å; D249-H252 PolarHBondContact OD2-ND1 3.01Å; H252-R254 HydrophobicContact CB-CG 4.28Å; H252-R254 PolarHBondContact O-N 3.35Å
253N87.4Confident93.5Very high120 Ų12048.4 Ų48.464%0.64223%0.231SC*.  trans52.739.1-175.8-16331.2000113.3R248 D249R248-N253 WeakPolarHBondContact CD-OD1 3.49Å; D249-N253 WeakPolarHBondContact O-CA 2.79Å; D249-N253 PolarHBondContact O-N 3.39Å
254R90.4Very high93.2Very high71 Ų7148.8 Ų48.827%0.26824%0.241SC..  trans-108.9148.2178.8-71.8-178175.1-164.1-5.6110.8R248 D249 H252 Y256 Q386R248-R254 CarbonylContact C-O 3.47Å; R248-R254 WeakPolarHBondContact CA-O 3.49Å; D249-R254 WeakPolarHBondContact CB-O 3.45Å; D249-R254 PolarHBondContact N-O 2.99Å; H252-R254 HydrophobicContact CB-CG 4.28Å; H252-R254 PolarHBondContact O-N 3.35Å; R254-Y256 HydrophobicContact CB-CE1 4.11Å; R254-Y256 HydrophobicContact CB-CE2 4.4Å; R254-Y256 WeakPolarHBondContact CD-OH 3.36Å; R254-Q386 PolarHBondContact NH1-O 3.44Å
255V95.4Very high92.9Very high11 Ų1151.9 Ų51.97%0.06726%0.255CS..EExtended strand (participates in β ladder)trans-99.7121.6178-175.20000109.9V218 N219 K246 V247 R248 M276V218-V255 HydrophobicContact CG1-CG1 4.37Å; V218-V255 HydrophobicContact CG2-CB 4.37Å; V218-V255 HydrophobicContact CG2-CG1 4.11Å; N219-V255 WeakPolarHBondContact CB-O 3.19Å; N219-V255 PolarHBondContact N-O 3.32Å; K246-V255 HydrophobicContact CD-CG1 4.14Å; K246-V255 HydrophobicContact CG-CG1 3.48Å; K246-V255 VanDerWaalsContact CG-CG1 3.48Å; V247-V255 CarbonylContact O-C 3.44Å; V247-V255 WeakPolarHBondContact O-CA 3.43Å; R248-V255 HydrophobicContact CB-CG2 4.38Å; V255-M276 HydrophobicContact CG1-SD 3.79Å; V255-M276 HydrophobicContact CG2-SD 3.94Å
256Y96.3Very high92.6Very high5 Ų553.2 Ų53.22%0.0226%0.262CS..EExtended strand (participates in β ladder)trans-110.8146.1179.9-64-45.8000112.3N219 V221 K246 V247 D249 R254 L266 Y267 V389N219-Y256 HydrophobicContact CB-CD1 3.81Å; N219-Y256 HydrophobicContact CB-CE1 4.13Å; N219-Y256 CarbonylContact O-C 3.47Å; N219-Y256 VanDerWaalsContact O-CA 3.23Å; N219-Y256 WeakPolarHBondContact O-CA 3.48Å; V221-Y256 HydrophobicContact CG2-CD1 3.34Å; V221-Y256 HydrophobicContact CG2-CD2 4.45Å; V221-Y256 HydrophobicContact CG2-CE1 4.15Å; V221-Y256 HydrophobicContact CG2-CG 3.56Å; K246-Y256 CarbonylContact C-O 3.6Å; K246-Y256 WeakPolarHBondContact CA-O 3.37Å; V247-Y256 PolarHBondContact N-O 2.95Å; V247-Y256 PolarHBondContact O-N 3.36Å; D249-Y256 HydrophobicContact CB-CD2 4.01Å; D249-Y256 HydrophobicContact CB-CE2 3.72Å; R254-Y256 HydrophobicContact CB-CE1 4.11Å; R254-Y256 HydrophobicContact CB-CE2 4.4Å; R254-Y256 WeakPolarHBondContact CD-OH 3.36Å; Y256-L266 HydrophobicContact CD2-CD2 4.32Å; Y256-Y267 WeakPolarHBondContact CD2-OH 3.02Å; Y256-V389 HydrophobicContact CE1-CG1 4.46Å; Y256-V389 HydrophobicContact CE1-CG2 3.87Å; Y256-V389 HydrophobicContact CE2-CG1 4Å
257V96.5Very high92.3Very high3 Ų351.8 Ų51.82%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-117.5122.1169.8176.50000109V218 N219 L220 V221 V245 K246 F279 L284V218-V257 HydrophobicContact CG1-CG2 3.56Å; N219-V257 PolarHBondContact O-N 2.94Å; L220-V257 HydrophobicContact CD2-CB 3.88Å; L220-V257 HydrophobicContact CD2-CG1 3.72Å; V221-V257 PolarHBondContact N-O 2.69Å; V245-V257 WeakPolarHBondContact O-CA 3.42Å; K246-V257 HydrophobicContact CB-CG2 4.24Å; K246-V257 HydrophobicContact CG-CG2 4.27Å; V257-F279 HydrophobicContact CG1-CE2 4.32Å; V257-F279 HydrophobicContact CG1-CZ 3.98Å; V257-F279 HydrophobicContact CG2-CZ 4.45Å; V257-L284 HydrophobicContact CG1-CD1 3.91Å; V257-L284 HydrophobicContact CG1-CD2 4.18Å
258M95.9Very high91.9Very high0 Ų061.3 Ų61.30%030%0.297CS..EExtended strand (participates in β ladder)trans-151170.1177.164.3-173.8-63.300110.4Y244 V245 R262 L263 L266 T320Y244-M258 WeakPolarHBondContact CA-O 3.29Å; V245-M258 HydrophobicContact CG2-CG 4.44Å; V245-M258 WeakPolarHBondContact CG2-O 3.27Å; V245-M258 PolarHBondContact N-O 3.2Å; V245-M258 PolarHBondContact O-N 3.16Å; M258-R262 VanDerWaalsContact CE-C 3.49Å; M258-R262 HydrophobicContact CE-CB 3.99Å; M258-R262 WeakPolarHBondContact CE-O 3.26Å; M258-L263 HydrophobicContact CG-CD2 4.15Å; M258-L263 HydrophobicContact SD-CD2 3.95Å; M258-L266 HydrophobicContact CE-CB 4.22Å; M258-L266 HydrophobicContact SD-CB 4.28Å; M258-L266 HydrophobicContact SD-CD2 4.1Å; M258-T320 HydrophobicContact CE-CG2 4.23Å
259M96.1Very high91.6Very high3 Ų359.6 Ų59.62%0.01530%0.298CS..EExtended strand (participates in β ladder)trans-70.1136177-175.4-177-7000110.5L242 E243 Y244 A261 R262 V314 S316 T320L242-M259 HydrophobicContact CB-CE 3.86Å; L242-M259 HydrophobicContact CB-SD 4.4Å; L242-M259 HydrophobicContact CD1-CE 3.37Å; L242-M259 HydrophobicContact CD1-SD 3.91Å; L242-M259 HydrophobicContact CG-CE 4.25Å; E243-M259 WeakPolarHBondContact O-CG 3.45Å; Y244-M259 HydrophobicContact CD1-CB 4.18Å; Y244-M259 HydrophobicContact CE1-CB 3.97Å; Y244-M259 HydrophobicContact CE1-CE 4.48Å; Y244-M259 HydrophobicContact CE2-CE 4.27Å; Y244-M259 WeakPolarHBondContact OH-CE 3.3Å; M259-A261 VanDerWaalsContact C-N 3.32Å; M259-A261 HydrophobicContact CG-CB 4.44Å; M259-A261 PolarHBondContact O-N 3.08Å; M259-A261 HydrophobicContact SD-CB 4.49Å; M259-R262 HydrophobicContact CB-CB 4.46Å; M259-R262 HydrophobicContact CB-CG 4.19Å; M259-R262 PolarHBondContact O-N 3.13Å; M259-R262 HydrophobicContact SD-CG 4.33Å; M259-V314 HydrophobicContact CE-CG1 4.46Å; M259-S316 VanDerWaalsContact SD-CA 3.59Å; M259-T320 WeakPolarHBondContact CB-O 3.47Å; M259-T320 PolarHBondContact N-O 3.05Å
260E94.6Very high91.3Very high68 Ų6864.9 Ų64.932%0.31833%0.326SS..G310 helixtrans-55.7-47.6-176.2-174.5-173.2-139.800112E243 V245 R262 L263 K278E243-E260 PolarHBondContact O-N 3.43Å; V245-E260 HydrophobicContact CG1-CB 3.78Å; V245-E260 HydrophobicContact CG1-CG 3.91Å; V245-E260 HydrophobicContact CG2-CB 4.4Å; E260-R262 PolarHBondContact O-N 3.15Å; E260-L263 HydrophobicContact CG-CD1 4.39Å; E260-L263 WeakPolarHBondContact O-CB 3.47Å; E260-L263 WeakPolarHBondContact O-CG 3.4Å; E260-L263 PolarHBondContact O-N 2.89Å; E260-K278 WeakPolarHBondContact OE1-CE 3.4Å; E260-K278 IonicContact OE1-NZ 3.82Å; E260-K278 PolarHBondContact OE1-NZ 3.07Å; E260-K278 WeakPolarHBondContact OE2-CE 3.35Å; E260-K278 IonicContact OE2-NZ 3.15Å; E260-K278 PolarHBondContact OE2-NZ 3.45Å
261A94Very high91.2Very high61 Ų6163.2 Ų63.250%0.50433%0.329SS..G310 helixtrans-59.2-14.9179.900000113.6M259M259-A261 VanDerWaalsContact C-N 3.32Å; M259-A261 HydrophobicContact CG-CB 4.44Å; M259-A261 PolarHBondContact O-N 3.08Å; M259-A261 HydrophobicContact SD-CB 4.49Å
262R94.1Very high91.4Very high46 Ų4658.8 Ų58.817%0.17431%0.309CS..G310 helixtrans-105.41.9-178.9-57.6-52-55.9179.8-7.2113.6M258 M259 E260 P264 F265 S316 E317 G319M258-R262 VanDerWaalsContact CE-C 3.49Å; M258-R262 HydrophobicContact CE-CB 3.99Å; M258-R262 WeakPolarHBondContact CE-O 3.26Å; M259-R262 HydrophobicContact CB-CB 4.46Å; M259-R262 HydrophobicContact CB-CG 4.19Å; M259-R262 PolarHBondContact O-N 3.13Å; M259-R262 HydrophobicContact SD-CG 4.33Å; E260-R262 PolarHBondContact O-N 3.15Å; R262-P264 VanDerWaalsContact C-N 3.28Å; R262-F265 WeakPolarHBondContact O-CB 3.45Å; R262-F265 PolarHBondContact O-N 2.93Å; R262-S316 WeakPolarHBondContact CD-O 3.26Å; R262-E317 VanDerWaalsContact NH1-C 3.28Å; R262-E317 PolarHBondContact NH1-O 3.47Å; R262-G319 WeakPolarHBondContact CG-O 3.46Å; R262-G319 PolarHBondContact NE-O 3.42Å
263L92.4Very high91.8Very high13 Ų1355.2 Ų55.27%0.06829%0.291CS..Hα-helixtrans-50.5-42.6173.3-76.9169.6000113V245 V247 M258 E260 F265 L266 Y267 Y273V245-L263 HydrophobicContact CG2-CD1 3.96Å; V245-L263 HydrophobicContact CG2-CD2 3.97Å; V245-L263 HydrophobicContact CG2-CG 3.98Å; V247-L263 HydrophobicContact CG1-CD2 3.9Å; V247-L263 HydrophobicContact CG2-CD2 4.22Å; M258-L263 HydrophobicContact CG-CD2 4.15Å; M258-L263 HydrophobicContact SD-CD2 3.95Å; E260-L263 HydrophobicContact CG-CD1 4.39Å; E260-L263 WeakPolarHBondContact O-CB 3.47Å; E260-L263 WeakPolarHBondContact O-CG 3.4Å; E260-L263 PolarHBondContact O-N 2.89Å; L263-F265 PolarHBondContact O-N 3.38Å; L263-L266 PolarHBondContact O-N 3.42Å; L263-L266 VanDerWaalsContact O-N 3.08Å; L263-Y267 HydrophobicContact CD2-CD2 3.97Å; L263-Y267 HydrophobicContact CD2-CE2 4.26Å; L263-Y267 PolarHBondContact O-N 2.9Å; L263-Y273 HydrophobicContact CD1-CE2 4Å; L263-Y273 HydrophobicContact CD2-CE2 4.41Å
264P91.7Very high92.1Very high103 Ų10353.9 Ų53.967%0.66928%0.281SS*.Hα-helixtrans-62.1-16.2177.4-24.635.9000114.8R262 Y267R262-P264 VanDerWaalsContact C-N 3.28Å; P264-Y267 CarbonylContact C-O 3.59Å; P264-Y267 VanDerWaalsContact CA-O 3.27Å; P264-Y267 WeakPolarHBondContact CA-O 3.37Å
265F90.6Very high92.2Very high66 Ų6654.9 Ų54.929%0.28929%0.291SS..Hα-helixtrans-74.8-29.5178-169.3-127000112.1M207 W223 R262 L263 G319 T320M207-F265 HydrophobicContact CE-CD1 3.24Å; M207-F265 HydrophobicContact CE-CE1 3.31Å; M207-F265 HydrophobicContact CE-CG 3.9Å; M207-F265 HydrophobicContact CE-CZ 4Å; M207-F265 WeakPolarHBondContact CE-O 3.45Å; M207-F265 HydrophobicContact SD-CD1 4.16Å; M207-F265 HydrophobicContact SD-CE1 4.31Å; W223-F265 HydrophobicContact CB-CE1 4.44Å; W223-F265 AromaticContact CD1-CE1 3.66Å; W223-F265 AromaticContact CD1-CZ 3.98Å; W223-F265 HydrophobicContact CD2-CE1 4.41Å; W223-F265 AromaticContact CG-CE1 3.92Å; W223-F265 HydrophobicContact CG-CE1 3.92Å; W223-F265 HydrophobicContact CG-CZ 4.5Å; W223-F265 AromaticContact NE1-CE1 3.94Å; W223-F265 AromaticContact NE1-CZ 3.78Å; R262-F265 WeakPolarHBondContact O-CB 3.45Å; R262-F265 PolarHBondContact O-N 2.93Å; L263-F265 PolarHBondContact O-N 3.38Å; F265-G319 WeakPolarHBondContact CD1-O 3.37Å; F265-T320 HydrophobicContact CD1-CG2 4.46Å
266L90.2Very high92.1Very high28 Ų2858.3 Ų58.315%0.14731%0.307CS..Hα-helixtrans-101.9-43.1177.1-179.558.9000112M207 Y256 M258 L263 V389 H390M207-L266 HydrophobicContact CE-CB 4.44Å; M207-L266 HydrophobicContact CE-CD1 4.41Å; M207-L266 HydrophobicContact SD-CB 4.2Å; M207-L266 HydrophobicContact SD-CD1 3.92Å; Y256-L266 HydrophobicContact CD2-CD2 4.32Å; M258-L266 HydrophobicContact CE-CB 4.22Å; M258-L266 HydrophobicContact SD-CB 4.28Å; M258-L266 HydrophobicContact SD-CD2 4.1Å; L263-L266 PolarHBondContact O-N 3.42Å; L263-L266 VanDerWaalsContact O-N 3.08Å; L266-V389 HydrophobicContact CD1-CG1 3.97Å; L266-V389 HydrophobicContact CD2-CG1 4.07Å; L266-H390 HydrophobicContact CD1-CB 3.91Å
267Y91.2Very high92.1Very high10 Ų1061.5 Ų61.54%0.03932%0.323CS..  trans-106.7133.3-175.6-62.6-65.6000111.4V247 D249 Y256 L263 P264 E272 Y273V247-Y267 HydrophobicContact CG2-CE2 4.07Å; D249-Y267 WeakPolarHBondContact CB-OH 3.41Å; D249-Y267 WeakPolarHBondContact OD1-CE1 3.22Å; D249-Y267 PolarHBondContact OD1-OH 2.88Å; Y256-Y267 WeakPolarHBondContact CD2-OH 3.02Å; L263-Y267 HydrophobicContact CD2-CD2 3.97Å; L263-Y267 HydrophobicContact CD2-CE2 4.26Å; L263-Y267 PolarHBondContact O-N 2.9Å; P264-Y267 CarbonylContact C-O 3.59Å; P264-Y267 VanDerWaalsContact CA-O 3.27Å; P264-Y267 WeakPolarHBondContact CA-O 3.37Å; Y267-E272 WeakPolarHBondContact CA-OE2 3.39Å; Y267-E272 HydrophobicContact CD1-CB 3.67Å; Y267-E272 HydrophobicContact CE1-CB 4.33Å; Y267-E272 HydrophobicContact CG-CB 4.45Å; Y267-Y273 HydrophobicContact CD1-CD1 4.1Å; Y267-Y273 AromaticContact CD2-CD1 3.56Å; Y267-Y273 HydrophobicContact CD2-CD1 3.56Å; Y267-Y273 HydrophobicContact CD2-CE1 4.15Å; Y267-Y273 HydrophobicContact CD2-CG 4.06Å; Y267-Y273 HydrophobicContact CE2-CD1 4.17Å; Y267-Y273 HydrophobicContact CE2-CG 4.22Å; Y267-Y273 AromaticContact CG-CD1 3.52Å; Y267-Y273 HydrophobicContact CG-CD1 3.52Å; Y267-Y273 HydrophobicContact CG-CE1 4.17Å; Y267-Y273 HydrophobicContact CG-CG 4.33Å
268K87Confident92Very high200 Ų20065.2 Ų65.287%0.8734%0.338SS*.SBendtrans-82.3-24.8177.2-69.2177.3179.3173.80112.2E272K268-E272 PolarHBondContact N-OE2 3.31Å
269S87.8Confident92.1Very high47 Ų4765.9 Ų65.933%0.32934%0.341SS..SBendtrans-148.1151.7-176.965.40000112.5S271 E272S269-S271 PolarHBondContact O-N 2.81Å; S269-S271 VanDerWaalsContact O-N 3.14Å; S269-S271 PolarHBondContact OG-OG 2.81Å; S269-S271 VanDerWaalsContact OG-OG 3.07Å; S269-E272 PolarHBondContact N-OE1 2.77Å; S269-E272 WeakPolarHBondContact O-CB 3.4Å; S269-E272 PolarHBondContact O-N 3.07Å; S269-E272 VanDerWaalsContact O-N 3.15Å; S269-E272 PolarHBondContact OG-OE1 3.19Å
270D85.5Confident92.1Very high123 Ų12369 Ų6966%0.65836%0.362SS*.G310 helixtrans-67.3-12.3-179-63.9-21.4000113.8E272 Y273D270-E272 VanDerWaalsContact C-N 3.28Å; D270-E272 PolarHBondContact O-N 2.8Å; D270-Y273 HydrophobicContact CB-CE1 4.38Å; D270-Y273 PolarHBondContact OD1-OH 3.06Å
271S88.6Confident92.1Very high83 Ų8365.8 Ų65.858%0.5835%0.347SS*.G310 helixtrans-75.2-17.217560.40000112.8K250 S269K250-S271 WeakPolarHBondContact CD-O 3.37Å; K250-S271 PolarHBondContact NZ-O 3.07Å; S269-S271 PolarHBondContact O-N 2.81Å; S269-S271 VanDerWaalsContact O-N 3.14Å; S269-S271 PolarHBondContact OG-OG 2.81Å; S269-S271 VanDerWaalsContact OG-OG 3.07Å
272E89.6Confident92.2Very high69 Ų6970 Ų7032%0.32235%0.354SS..G310 helixtrans-78.3-17.6-176.4-69.7162.8-14700113.5K250 Y267 K268 S269 D270K250-E272 WeakPolarHBondContact CB-O 3.28Å; K250-E272 PolarHBondContact N-O 3.04Å; K250-E272 VanDerWaalsContact N-O 3.1Å; Y267-E272 WeakPolarHBondContact CA-OE2 3.39Å; Y267-E272 HydrophobicContact CD1-CB 3.67Å; Y267-E272 HydrophobicContact CE1-CB 4.33Å; Y267-E272 HydrophobicContact CG-CB 4.45Å; K268-E272 PolarHBondContact N-OE2 3.31Å; S269-E272 PolarHBondContact N-OE1 2.77Å; S269-E272 WeakPolarHBondContact O-CB 3.4Å; S269-E272 PolarHBondContact O-N 3.07Å; S269-E272 VanDerWaalsContact O-N 3.15Å; S269-E272 PolarHBondContact OG-OE1 3.19Å; D270-E272 VanDerWaalsContact C-N 3.28Å; D270-E272 PolarHBondContact O-N 2.8Å
273Y93Very high92.3Very high29 Ų2973.4 Ų73.411%0.11437%0.37CS..EExtended strand (participates in β ladder)trans-134.5166.2-178.766-87.1000112.8V247 R248 K250 L263 Y267 D270 L275V247-Y273 HydrophobicContact CB-CD2 3.98Å; V247-Y273 HydrophobicContact CB-CG 4.47Å; V247-Y273 HydrophobicContact CG1-CD2 3.69Å; V247-Y273 HydrophobicContact CG1-CE2 4.1Å; R248-Y273 CarbonylContact O-C 3.44Å; R248-Y273 VanDerWaalsContact O-CA 3.3Å; R248-Y273 WeakPolarHBondContact O-CA 3.4Å; K250-Y273 VanDerWaalsContact CE-O 3.22Å; K250-Y273 WeakPolarHBondContact CE-O 3.35Å; K250-Y273 PolarHBondContact NZ-O 3.42Å; K250-Y273 VanDerWaalsContact NZ-O 3.16Å; L263-Y273 HydrophobicContact CD1-CE2 4Å; L263-Y273 HydrophobicContact CD2-CE2 4.41Å; Y267-Y273 HydrophobicContact CD1-CD1 4.1Å; Y267-Y273 AromaticContact CD2-CD1 3.56Å; Y267-Y273 HydrophobicContact CD2-CD1 3.56Å; Y267-Y273 HydrophobicContact CD2-CE1 4.15Å; Y267-Y273 HydrophobicContact CD2-CG 4.06Å; Y267-Y273 HydrophobicContact CE2-CD1 4.17Å; Y267-Y273 HydrophobicContact CE2-CG 4.22Å; Y267-Y273 AromaticContact CG-CD1 3.52Å; Y267-Y273 HydrophobicContact CG-CD1 3.52Å; Y267-Y273 HydrophobicContact CG-CE1 4.17Å; Y267-Y273 HydrophobicContact CG-CG 4.33Å; D270-Y273 HydrophobicContact CB-CE1 4.38Å; D270-Y273 PolarHBondContact OD1-OH 3.06Å; Y273-L275 HydrophobicContact CE2-CB 4.5Å
274E92.8Very high92.4Very high92 Ų9273 Ų7343%0.4337%0.368SS..EExtended strand (participates in β ladder)trans-119.2116.7171.1178.4-171.3-167.900108.3V247 R248 M276V247-E274 CarbonylContact C-O 3.46Å; V247-E274 WeakPolarHBondContact CA-O 3.33Å; R248-E274 HydrophobicContact CB-CB 4.29Å; R248-E274 IonicContact CZ-OE2 3.54Å; R248-E274 PolarHBondContact N-O 3.42Å; R248-E274 IonicContact NH1-OE2 2.84Å; R248-E274 PolarHBondContact NH1-OE2 2.92Å; R248-E274 PolarHBondContact O-N 3.37Å; E274-M276 PolarHBondContact O-N 3.05Å
275L93.4Very high92.6Very high92 Ų9272.8 Ų72.848%0.48236%0.356SS..EExtended strand (participates in β ladder)trans-73.7118.9177.3-179.465.1000110.1V245 V247 Y273V245-L275 HydrophobicContact CB-CD1 3.62Å; V245-L275 HydrophobicContact CG1-CD1 3.63Å; V247-L275 HydrophobicContact CG1-CD1 3.81Å; Y273-L275 HydrophobicContact CE2-CB 4.5Å
276M93.1Very high92.8Very high83 Ų8373 Ų7341%0.40936%0.36SS..EExtended strand (participates in β ladder)trans-97.5-43.3-178.1-56.4-176.470.200112.6K246 R248 V255 E274K246-M276 HydrophobicContact CB-CB 4.46Å; K246-M276 HydrophobicContact CG-CB 4.28Å; K246-M276 HydrophobicContact CG-SD 4.31Å; K246-M276 WeakPolarHBondContact O-CA 3.48Å; K246-M276 WeakPolarHBondContact O-CB 3.33Å; K246-M276 PolarHBondContact O-N 2.93Å; R248-M276 HydrophobicContact CB-CG 4.4Å; R248-M276 HydrophobicContact CB-SD 4.08Å; V255-M276 HydrophobicContact CG1-SD 3.79Å; V255-M276 HydrophobicContact CG2-SD 3.94Å; E274-M276 PolarHBondContact O-N 3.05Å
277E95.3Very high93.1Very high73 Ų7374.1 Ų74.134%0.34137%0.366SS..EExtended strand (participates in β ladder)trans-154.8149.9-174.2-158.7-170.6158.500110.8V245 K246 F279 K283V245-E277 CarbonylContact C-O 3.53Å; V245-E277 VanDerWaalsContact CA-O 3.31Å; V245-E277 WeakPolarHBondContact CA-O 3.27Å; K246-E277 HydrophobicContact CB-CB 4.02Å; K246-E277 PolarHBondContact N-O 3.32Å; K246-E277 PolarHBondContact O-N 2.89Å; E277-F279 HydrophobicContact CB-CD1 4.23Å; E277-F279 HydrophobicContact CB-CE1 4.28Å; E277-F279 HydrophobicContact CG-CD1 3.89Å; E277-F279 HydrophobicContact CG-CE1 4.37Å; E277-K283 IonicContact OE1-NZ 3.71Å; E277-K283 PolarHBondContact OE1-NZ 3.33Å; E277-K283 IonicContact OE2-NZ 3.39Å
278K96Very high93.3Very high80 Ų8075.4 Ų75.435%0.34837%0.374SS..EExtended strand (participates in β ladder)trans-127.3134173-169-178.1-168-171.90109.7E243 Y244 V245 E260E243-K278 VanDerWaalsContact CD-NZ 3.27Å; E243-K278 WeakPolarHBondContact OE1-CE 3.45Å; E243-K278 IonicContact OE1-NZ 2.75Å; E243-K278 PolarHBondContact OE1-NZ 3.15Å; E243-K278 WeakPolarHBondContact OE2-CE 3.45Å; E243-K278 IonicContact OE2-NZ 3.75Å; E243-K278 PolarHBondContact OE2-NZ 3.45Å; Y244-K278 WeakPolarHBondContact O-CA 3.37Å; V245-K278 HydrophobicContact CG1-CB 4.3Å; V245-K278 HydrophobicContact CG1-CG 3.98Å; E260-K278 WeakPolarHBondContact OE1-CE 3.4Å; E260-K278 IonicContact OE1-NZ 3.82Å; E260-K278 PolarHBondContact OE1-NZ 3.07Å; E260-K278 WeakPolarHBondContact OE2-CE 3.35Å; E260-K278 IonicContact OE2-NZ 3.15Å; E260-K278 PolarHBondContact OE2-NZ 3.45Å
279F97Very high93.8Very high15 Ų1566 Ų667%0.06633%0.333CS..EExtended strand (participates in β ladder)trans-157.1156.9-176.447.9-97.9000112.3Y244 K246 V257 E277 K283 L284Y244-F279 PolarHBondContact N-O 3.18Å; Y244-F279 PolarHBondContact O-N 2.78Å; Y244-F279 VanDerWaalsContact O-O 3.09Å; K246-F279 HydrophobicContact CB-CE1 4.03Å; V257-F279 HydrophobicContact CG1-CE2 4.32Å; V257-F279 HydrophobicContact CG1-CZ 3.98Å; V257-F279 HydrophobicContact CG2-CZ 4.45Å; E277-F279 HydrophobicContact CB-CD1 4.23Å; E277-F279 HydrophobicContact CB-CE1 4.28Å; E277-F279 HydrophobicContact CG-CD1 3.89Å; E277-F279 HydrophobicContact CG-CE1 4.37Å; F279-K283 HydrophobicContact CB-CB 4.42Å; F279-K283 HydrophobicContact CB-CD 3.76Å; F279-K283 HydrophobicContact CD1-CD 4.39Å; F279-K283 HydrophobicContact CD2-CB 4.11Å; F279-K283 HydrophobicContact CD2-CD 4.2Å; F279-K283 HydrophobicContact CG-CD 3.87Å; F279-L284 HydrophobicContact CD2-CG 4.45Å; F279-L284 HydrophobicContact CE2-CD1 4.02Å; F279-L284 HydrophobicContact CE2-CD2 3.62Å; F279-L284 HydrophobicContact CE2-CG 3.73Å; F279-L284 HydrophobicContact CZ-CD2 4.08Å
280P96.6Very high94.1Very high69 Ų6966.7 Ų66.745%0.44834%0.335SS..EExtended strand (participates in β ladder)trans-69148.3174.129.3-35.6000111.3K282 K283P280-K282 PolarHBondContact O-N 3Å; P280-K283 WeakPolarHBondContact O-CB 3.5Å; P280-K283 PolarHBondContact O-N 3.13Å
281G94.6Very high94.6Very high0 Ų062 Ų620%031%0.311CS..G310 helixtrans-58.2-25.3-179.500000113.9N239 L242 K283 L284N239-G281 WeakPolarHBondContact O-CA 3.36Å; L242-G281 PolarHBondContact O-N 3.15Å; G281-K283 PolarHBondContact O-N 2.95Å; G281-K283 VanDerWaalsContact O-N 3.11Å; G281-L284 WeakPolarHBondContact O-CB 3.49Å; G281-L284 PolarHBondContact O-N 3.02Å
282K96Very high94.9Very high149 Ų14958.4 Ų58.465%0.64829%0.285SS*.G310 helixtrans-53.7-29.1171.6-172.2174.5-178.3178.40113.7P240 P280 L284 K285P240-K282 HydrophobicContact CB-CB 4.34Å; P240-K282 WeakPolarHBondContact O-CB 3.42Å; P240-K282 PolarHBondContact O-N 2.64Å; P240-K282 VanDerWaalsContact O-N 3.12Å; P280-K282 PolarHBondContact O-N 3Å; K282-L284 PolarHBondContact O-N 3.35Å; K282-K285 WeakPolarHBondContact O-CB 3.43Å; K282-K285 PolarHBondContact O-N 3.35Å
283K95.7Very high95.1Very high117 Ų11755.6 Ų55.651%0.50927%0.272SS..G310 helixtrans-66.9-25.4176.7-173.5176.7177177.30112.6E277 F279 P280 G281 K285E277-K283 IonicContact OE1-NZ 3.71Å; E277-K283 PolarHBondContact OE1-NZ 3.33Å; E277-K283 IonicContact OE2-NZ 3.39Å; F279-K283 HydrophobicContact CB-CB 4.42Å; F279-K283 HydrophobicContact CB-CD 3.76Å; F279-K283 HydrophobicContact CD1-CD 4.39Å; F279-K283 HydrophobicContact CD2-CB 4.11Å; F279-K283 HydrophobicContact CD2-CD 4.2Å; F279-K283 HydrophobicContact CG-CD 3.87Å; P280-K283 WeakPolarHBondContact O-CB 3.5Å; P280-K283 PolarHBondContact O-N 3.13Å; G281-K283 PolarHBondContact O-N 2.95Å; G281-K283 VanDerWaalsContact O-N 3.11Å; K283-K285 VanDerWaalsContact C-N 3.32Å
284L95.4Very high95Very high6 Ų659.2 Ų59.23%0.03129%0.293CS..G310 helixtrans-82.2-12.3179.7-61.4173.5000112.9L220 V238 Y244 V257 F279 G281 K282 D286 L287 V308L220-L284 HydrophobicContact CD2-CD1 4.07Å; L220-L284 HydrophobicContact CD2-CD2 4.38Å; V238-L284 HydrophobicContact CG1-CD1 4.12Å; V238-L284 HydrophobicContact CG2-CB 4.33Å; Y244-L284 HydrophobicContact CD1-CD1 4Å; Y244-L284 HydrophobicContact CG-CD1 4.04Å; V257-L284 HydrophobicContact CG1-CD1 3.91Å; V257-L284 HydrophobicContact CG1-CD2 4.18Å; F279-L284 HydrophobicContact CD2-CG 4.45Å; F279-L284 HydrophobicContact CE2-CD1 4.02Å; F279-L284 HydrophobicContact CE2-CD2 3.62Å; F279-L284 HydrophobicContact CE2-CG 3.73Å; F279-L284 HydrophobicContact CZ-CD2 4.08Å; G281-L284 WeakPolarHBondContact O-CB 3.49Å; G281-L284 PolarHBondContact O-N 3.02Å; K282-L284 PolarHBondContact O-N 3.35Å; L284-D286 PolarHBondContact O-N 3.45Å; L284-L287 HydrophobicContact CB-CD1 4.5Å; L284-L287 HydrophobicContact CD2-CD1 3.91Å; L284-L287 WeakPolarHBondContact O-CB 3.32Å; L284-L287 WeakPolarHBondContact O-CG 3.38Å; L284-L287 PolarHBondContact O-N 3.01Å; L284-V308 HydrophobicContact CB-CG1 3.99Å; L284-V308 VanDerWaalsContact O-CB 3.23Å; L284-V308 WeakPolarHBondContact O-CB 3.4Å
285K95.2Very high95Very high98 Ų9856.2 Ų56.243%0.42628%0.278SS..THydrogen-bonded Turntrans-56.1136.2-175.2-168-177.3171.1179.60111.5K282 K283 L287K282-K285 WeakPolarHBondContact O-CB 3.43Å; K282-K285 PolarHBondContact O-N 3.35Å; K283-K285 VanDerWaalsContact C-N 3.32Å; K285-L287 PolarHBondContact O-N 3.23Å; K285-L287 VanDerWaalsContact O-N 3.16Å
286D95.1Very high95Very high70 Ų7052.2 Ų52.237%0.37426%0.257SS..THydrogen-bonded Turntrans61.314.1177.9-59.1-50.9000114.7L284 D288 R307 V308L284-D286 PolarHBondContact O-N 3.45Å; D286-D288 PolarHBondContact O-N 2.87Å; D286-R307 IonicContact OD1-CZ 2.61Å; D286-R307 IonicContact OD1-NE 3.26Å; D286-R307 PolarHBondContact OD1-NE 3.01Å; D286-R307 IonicContact OD1-NH2 2.74Å; D286-V308 PolarHBondContact N-O 2.95Å
287L96.3Very high95Very high51 Ų5152.1 Ų52.127%0.26726%0.258SS..  trans-72.6128169.3-66.3-177.7000110.9L212 L284 K285 R307 V308L212-L287 HydrophobicContact CD1-CD1 4.32Å; L212-L287 HydrophobicContact CD2-CB 4.12Å; L212-L287 HydrophobicContact CD2-CD1 4.38Å; L284-L287 HydrophobicContact CB-CD1 4.5Å; L284-L287 HydrophobicContact CD2-CD1 3.91Å; L284-L287 WeakPolarHBondContact O-CB 3.32Å; L284-L287 WeakPolarHBondContact O-CG 3.38Å; L284-L287 PolarHBondContact O-N 3.01Å; K285-L287 PolarHBondContact O-N 3.23Å; K285-L287 VanDerWaalsContact O-N 3.16Å; L287-R307 CarbonylContact O-C 3.59Å; L287-R307 VanDerWaalsContact O-CA 3.26Å; L287-R307 WeakPolarHBondContact O-CA 3.09Å; L287-V308 HydrophobicContact CB-CG2 4.48Å; L287-V308 PolarHBondContact O-N 3.38Å
288D96.3Very high94.8Very high38 Ų3854.6 Ų54.620%0.20327%0.265CS..BIsolated β-bridgetrans-71.6140.1174-84.24000111.9L212 V213 D286 K300 H304L212-D288 WeakPolarHBondContact CA-O 3.48Å; V213-D288 HydrophobicContact CB-CB 3.76Å; V213-D288 HydrophobicContact CG2-CB 3.75Å; V213-D288 PolarHBondContact N-O 3.01Å; D286-D288 PolarHBondContact O-N 2.87Å; D288-K300 VanDerWaalsContact OD2-CE 3.25Å; D288-K300 WeakPolarHBondContact OD2-CE 3.34Å; D288-K300 IonicContact OD2-NZ 2.69Å; D288-K300 PolarHBondContact OD2-NZ 2.86Å; D288-H304 IonicContact OD1-NE2 2.83Å
289Y96.3Very high94.6Very high2 Ų250.9 Ų50.91%0.00825%0.249CC..BIsolated β-bridgetrans-128159.7172.669.1-94.8000112.2F210 P211 N233 A235 L236 P291 F306F210-Y289 HydrophobicContact CB-CD2 4.04Å; F210-Y289 HydrophobicContact CB-CG 4.33Å; F210-Y289 AromaticContact CD1-CD2 3.48Å; F210-Y289 HydrophobicContact CD1-CD2 3.48Å; F210-Y289 VanDerWaalsContact CD1-CD2 3.48Å; F210-Y289 AromaticContact CD1-CE2 3.45Å; F210-Y289 HydrophobicContact CD1-CE2 3.45Å; F210-Y289 VanDerWaalsContact CD1-CE2 3.45Å; F210-Y289 HydrophobicContact CD1-CG 4.44Å; F210-Y289 HydrophobicContact CE1-CD2 4.32Å; F210-Y289 AromaticContact CE1-CE2 3.84Å; F210-Y289 HydrophobicContact CE1-CE2 3.84Å; F210-Y289 HydrophobicContact CG-CD2 4.17Å; F210-Y289 HydrophobicContact CG-CE2 4.43Å; P211-Y289 CarbonylContact O-C 3.5Å; P211-Y289 VanDerWaalsContact O-CA 3.25Å; P211-Y289 WeakPolarHBondContact O-CA 3.18Å; P211-Y289 WeakPolarHBondContact O-CB 3.25Å; N233-Y289 PolarHBondContact ND2-OH 2.98Å; N233-Y289 WeakPolarHBondContact OD1-CE2 3.46Å; N233-Y289 PolarHBondContact OD1-OH 3.4Å; A235-Y289 WeakPolarHBondContact CA-OH 3.45Å; A235-Y289 PolarHBondContact N-OH 2.99Å; A235-Y289 PolarHBondContact O-OH 3.45Å; L236-Y289 HydrophobicContact CB-CE1 4.19Å; L236-Y289 HydrophobicContact CD1-CD1 3.88Å; L236-Y289 HydrophobicContact CD1-CD2 4.48Å; L236-Y289 HydrophobicContact CD1-CE1 3.99Å; L236-Y289 HydrophobicContact CD1-CG 4.14Å; L236-Y289 HydrophobicContact CG-CD1 4.06Å; L236-Y289 HydrophobicContact CG-CE1 3.63Å; L236-Y289 HydrophobicContact CG-CE2 4.45Å; Y289-P291 WeakPolarHBondContact O-CD 3.34Å; Y289-F306 VanDerWaalsContact CD1-C 3.5Å; Y289-F306 WeakPolarHBondContact CD1-O 3.44Å; Y289-F306 HydrophobicContact CE1-CB 4.39Å; Y289-F306 WeakPolarHBondContact CE1-O 3.44Å; Y289-F306 HydrophobicContact CE2-CB 4.29Å; Y289-F306 HydrophobicContact CE2-CD1 4.31Å; Y289-F306 PolarHBondContact N-O 2.94Å
290V95.3Very high94.4Very high62 Ų6253.3 Ų53.338%0.37626%0.259SS..  trans-82.9116.2175.5-177.40000109.5P211 V213 R387P211-V290 HydrophobicContact CB-CB 4.47Å; P211-V290 HydrophobicContact CB-CG2 4.35Å; P211-V290 PolarHBondContact O-N 2.98Å; V213-V290 HydrophobicContact CG2-CG2 4.13Å; V290-R387 PolarHBondContact O-NH2 3.48Å
291P94.9Very high94Very high24 Ų2458.9 Ų58.916%0.15628%0.279CS..  trans-65.3161-177.926-33000113.1Y289 I297 F306Y289-P291 WeakPolarHBondContact O-CD 3.34Å; P291-I297 HydrophobicContact CG-CD1 3.78Å; P291-F306 HydrophobicContact CB-CD1 3.49Å; P291-F306 VanDerWaalsContact CB-CD1 3.49Å; P291-F306 HydrophobicContact CB-CE1 3.57Å; P291-F306 HydrophobicContact CB-CG 4.22Å; P291-F306 HydrophobicContact CB-CZ 4.4Å; P291-F306 HydrophobicContact CG-CD1 3.96Å; P291-F306 HydrophobicContact CG-CE1 4.08Å; P291-F306 HydrophobicContact CG-CG 4.23Å; P291-F306 HydrophobicContact CG-CZ 4.49Å
292L94.1Very high93.6Very high7 Ų763.6 Ų63.64%0.03731%0.305CS..SBendtrans-73.3-31.5177.9-63.5172.6000112.8V208 F210 L230 L382 R385 R387V208-L292 HydrophobicContact CB-CD1 4.48Å; V208-L292 HydrophobicContact CG1-CD1 3.75Å; V208-L292 HydrophobicContact CG1-CD2 3.45Å; V208-L292 VanDerWaalsContact CG1-CD2 3.45Å; V208-L292 HydrophobicContact CG1-CG 4.25Å; F210-L292 HydrophobicContact CD1-CD2 4.47Å; F210-L292 HydrophobicContact CD1-CG 4.21Å; F210-L292 HydrophobicContact CE1-CD1 3.77Å; F210-L292 HydrophobicContact CE1-CD2 4.19Å; F210-L292 HydrophobicContact CE1-CG 3.54Å; F210-L292 HydrophobicContact CE2-CD1 4.28Å; F210-L292 HydrophobicContact CZ-CD1 3.46Å; F210-L292 VanDerWaalsContact CZ-CD1 3.46Å; F210-L292 HydrophobicContact CZ-CD2 4.34Å; F210-L292 HydrophobicContact CZ-CG 3.76Å; L230-L292 HydrophobicContact CB-CD1 4.1Å; L230-L292 HydrophobicContact CD1-CD1 4.25Å; L230-L292 HydrophobicContact CD2-CD1 3.88Å; L230-L292 HydrophobicContact CG-CD1 4.31Å; L292-L382 HydrophobicContact CB-CD2 4.29Å; L292-L382 HydrophobicContact CD1-CD2 4.18Å; L292-L382 HydrophobicContact CD2-CD2 3.92Å; L292-L382 HydrophobicContact CG-CD2 4.34Å; L292-R385 PolarHBondContact O-NH1 3.37Å; L292-R387 HydrophobicContact CD2-CB 4Å; L292-R387 HydrophobicContact CD2-CG 4.26Å
293F94.2Very high93.4Very high10 Ų1060.7 Ų60.74%0.04429%0.29CS..  trans-135.3145.3-177.2-60.1-85.3000109.4L230 P231 Y295 F366 I378 L381L230-F293 HydrophobicContact CB-CE2 4.19Å; P231-F293 HydrophobicContact CB-CD2 4.37Å; P231-F293 HydrophobicContact CG-CD2 4.36Å; P231-F293 HydrophobicContact CG-CE2 4.03Å; P231-F293 HydrophobicContact CG-CZ 4.26Å; F293-Y295 HydrophobicContact CB-CD2 3.6Å; F293-Y295 HydrophobicContact CB-CE2 3.58Å; F293-Y295 HydrophobicContact CB-CG 4.22Å; F293-Y295 HydrophobicContact CD1-CD2 4.31Å; F293-Y295 AromaticContact CD1-CE2 3.4Å; F293-Y295 HydrophobicContact CD1-CE2 3.4Å; F293-Y295 AromaticContact CD1-CZ 3.58Å; F293-Y295 WeakPolarHBondContact CD1-OH 3.48Å; F293-Y295 HydrophobicContact CE1-CE2 4.2Å; F293-Y295 HydrophobicContact CG-CD2 4.12Å; F293-Y295 AromaticContact CG-CE2 3.62Å; F293-Y295 HydrophobicContact CG-CE2 3.62Å; F293-F366 AromaticContact CE1-CE2 3.93Å; F293-F366 HydrophobicContact CE1-CE2 3.93Å; F293-F366 HydrophobicContact CZ-CE2 4.23Å; F293-I378 HydrophobicContact CZ-CG2 4.32Å; F293-L381 HydrophobicContact CE1-CD2 3.77Å; F293-L381 HydrophobicContact CZ-CD2 4.48Å
294D91.8Very high93.3Very high105 Ų10559.4 Ų59.456%0.56129%0.285SS*.  trans-94.42.6-177.359.5-16.7000113.5F296 I297D294-F296 PolarHBondContact O-N 3.43Å; D294-F296 VanDerWaalsContact O-N 3.1Å; D294-I297 WeakPolarHBondContact O-CB 3.38Å; D294-I297 PolarHBondContact O-N 3.44Å; D294-I297 VanDerWaalsContact O-N 3.16Å
295Y92.4Very high93.2Very high29 Ų2959.1 Ų59.111%0.11428%0.283CS..THydrogen-bonded Turntrans-54.4-34.1-175.1-51.9-39.8000114.8P231 F293 V363 E365P231-Y295 HydrophobicContact CB-CD2 4.18Å; P231-Y295 HydrophobicContact CB-CE2 4Å; F293-Y295 HydrophobicContact CB-CD2 3.6Å; F293-Y295 HydrophobicContact CB-CE2 3.58Å; F293-Y295 HydrophobicContact CB-CG 4.22Å; F293-Y295 HydrophobicContact CD1-CD2 4.31Å; F293-Y295 AromaticContact CD1-CE2 3.4Å; F293-Y295 HydrophobicContact CD1-CE2 3.4Å; F293-Y295 AromaticContact CD1-CZ 3.58Å; F293-Y295 WeakPolarHBondContact CD1-OH 3.48Å; F293-Y295 HydrophobicContact CE1-CE2 4.2Å; F293-Y295 HydrophobicContact CG-CD2 4.12Å; F293-Y295 AromaticContact CG-CE2 3.62Å; F293-Y295 HydrophobicContact CG-CE2 3.62Å; Y295-V363 HydrophobicContact CD2-CB 4.45Å; Y295-V363 HydrophobicContact CD2-CG1 4.34Å; Y295-V363 HydrophobicContact CD2-CG2 3.96Å; Y295-V363 HydrophobicContact CE2-CB 4.31Å; Y295-V363 HydrophobicContact CE2-CG1 3.76Å; Y295-V363 HydrophobicContact CE2-CG2 4.22Å; Y295-E365 WeakPolarHBondContact CE1-OE2 3.47Å; Y295-E365 PolarHBondContact OH-OE1 2.86Å; Y295-E365 PolarHBondContact OH-OE2 3.24Å
296F93.2Very high93.3Very high8 Ų854.6 Ų54.64%0.03526%0.264CS..THydrogen-bonded Turntrans-119.826.1-176.4-52.7-62.9000112.4P231 L234 D294 Y298 M299 F306 I350 P352 E362P231-F296 WeakPolarHBondContact O-CE2 3.44Å; L234-F296 HydrophobicContact CD2-CB 4.08Å; D294-F296 PolarHBondContact O-N 3.43Å; D294-F296 VanDerWaalsContact O-N 3.1Å; F296-Y298 HydrophobicContact CB-CE1 4.34Å; F296-Y298 HydrophobicContact CD1-CE1 4.05Å; F296-Y298 PolarHBondContact O-N 2.98Å; F296-Y298 VanDerWaalsContact O-N 3.11Å; F296-M299 HydrophobicContact CB-CG 4.38Å; F296-M299 WeakPolarHBondContact O-CB 3.3Å; F296-M299 PolarHBondContact O-N 2.92Å; F296-F306 HydrophobicContact CB-CZ 4.42Å; F296-F306 WeakPolarHBondContact O-CE2 3.48Å; F296-F306 WeakPolarHBondContact O-CZ 3.28Å; F296-I350 HydrophobicContact CD1-CG2 3.5Å; F296-I350 VanDerWaalsContact CD1-CG2 3.5Å; F296-I350 HydrophobicContact CD2-CG2 4.14Å; F296-I350 HydrophobicContact CE1-CG2 3.35Å; F296-I350 HydrophobicContact CE2-CG2 3.99Å; F296-I350 HydrophobicContact CG-CG2 3.91Å; F296-I350 HydrophobicContact CZ-CG2 3.61Å; F296-P352 HydrophobicContact CE2-CG 4.24Å; F296-P352 HydrophobicContact CZ-CB 4.07Å; F296-P352 HydrophobicContact CZ-CG 3.87Å; F296-E362 HydrophobicContact CE1-CB 4.14Å; F296-E362 HydrophobicContact CZ-CB 4.22Å
297I92.5Very high93.3Very high82 Ų8252.2 Ų52.242%0.42125%0.25SC..THydrogen-bonded Turntrans-58.9-28.3-174.2-160.765.5000113.2P291 D294 M299 K300 F306P291-I297 HydrophobicContact CG-CD1 3.78Å; D294-I297 WeakPolarHBondContact O-CB 3.38Å; D294-I297 PolarHBondContact O-N 3.44Å; D294-I297 VanDerWaalsContact O-N 3.16Å; I297-M299 PolarHBondContact O-N 3.5Å; I297-M299 VanDerWaalsContact O-N 3.12Å; I297-K300 VanDerWaalsContact O-CB 3.26Å; I297-K300 WeakPolarHBondContact O-CB 3.2Å; I297-K300 PolarHBondContact O-N 3.13Å; I297-F306 HydrophobicContact CD1-CD2 4.44Å; I297-F306 HydrophobicContact CD1-CE2 4.24Å
298Y92.3Very high93.4Very high124 Ų12449.8 Ų49.849%0.48624%0.237SC..THydrogen-bonded Turntrans-57.8-24.7176.268.6-92.8000113.4F296 K300 E301 D302F296-Y298 HydrophobicContact CB-CE1 4.34Å; F296-Y298 HydrophobicContact CD1-CE1 4.05Å; F296-Y298 PolarHBondContact O-N 2.98Å; F296-Y298 VanDerWaalsContact O-N 3.11Å; Y298-K300 PolarHBondContact O-N 3.19Å; Y298-E301 PolarHBondContact O-N 3.29Å; Y298-D302 PolarHBondContact O-N 3.02Å; Y298-D302 VanDerWaalsContact O-N 3.15Å
299M92.2Very high93.4Very high3 Ų348 Ų482%0.01523%0.227CC..Hα-helixtrans-65.8-19.5176-68.5-65.5-68.900112.9L234 F296 I297 R303 H304 A305 F306 I342 M347 I350L234-M299 HydrophobicContact CD2-CB 4.31Å; L234-M299 HydrophobicContact CD2-CG 4.21Å; F296-M299 HydrophobicContact CB-CG 4.38Å; F296-M299 WeakPolarHBondContact O-CB 3.3Å; F296-M299 PolarHBondContact O-N 2.92Å; I297-M299 PolarHBondContact O-N 3.5Å; I297-M299 VanDerWaalsContact O-N 3.12Å; M299-R303 HydrophobicContact CE-CB 4.12Å; M299-R303 HydrophobicContact CE-CG 3.84Å; M299-R303 CarbonylContact O-C 3.51Å; M299-R303 PolarHBondContact O-N 3.27Å; M299-H304 PolarHBondContact O-N 3.49Å; M299-A305 HydrophobicContact CB-CB 3.67Å; M299-A305 WeakPolarHBondContact O-CB 3.3Å; M299-A305 PolarHBondContact O-N 2.88Å; M299-A305 VanDerWaalsContact O-N 3.12Å; M299-F306 HydrophobicContact CB-CE2 4.39Å; M299-I342 WeakPolarHBondContact CE-O 3.38Å; M299-M347 HydrophobicContact CE-CE 4Å; M299-M347 HydrophobicContact CE-SD 4.35Å; M299-I350 HydrophobicContact CE-CD1 3.81Å; M299-I350 HydrophobicContact CG-CD1 3.89Å; M299-I350 HydrophobicContact SD-CD1 3.6Å; M299-I350 VanDerWaalsContact SD-CD1 3.6Å
300K91.4Very high93.4Very high66 Ų6649 Ų4929%0.28723%0.234SC..Hα-helixtrans-62.7-46.4173.2-169.7171.2-177.8169.30110.8D288 I297 Y298 H304 F306D288-K300 VanDerWaalsContact OD2-CE 3.25Å; D288-K300 WeakPolarHBondContact OD2-CE 3.34Å; D288-K300 IonicContact OD2-NZ 2.69Å; D288-K300 PolarHBondContact OD2-NZ 2.86Å; I297-K300 VanDerWaalsContact O-CB 3.26Å; I297-K300 WeakPolarHBondContact O-CB 3.2Å; I297-K300 PolarHBondContact O-N 3.13Å; Y298-K300 PolarHBondContact O-N 3.19Å; K300-H304 WeakPolarHBondContact O-CA 3.49Å; K300-H304 PolarHBondContact O-N 2.88Å; K300-F306 HydrophobicContact CB-CD2 4.03Å; K300-F306 HydrophobicContact CB-CE2 4.48Å
301E89Confident93.5Very high185 Ų18547.4 Ų47.486%0.86422%0.224SC*.Hα-helixtrans-77.9-41.2-178.4-66.3178.6179.100111.7Y298Y298-E301 PolarHBondContact O-N 3.29Å
302D87Confident93.5Very high100 Ų10052.6 Ų52.654%0.53525%0.246SC..Hα-helixtrans-72.4-39.6-176.5-171.350.5000112.9Y298Y298-D302 PolarHBondContact O-N 3.02Å; Y298-D302 VanDerWaalsContact O-N 3.15Å
303R91.1Very high93.5Very high88 Ų8855.1 Ų55.133%0.33226%0.255SS..Hα-helixtrans-136.19.2-167.2-57.4-64.9177.2149.70.7114.6M299 A305M299-R303 HydrophobicContact CE-CB 4.12Å; M299-R303 HydrophobicContact CE-CG 3.84Å; M299-R303 CarbonylContact O-C 3.51Å; M299-R303 PolarHBondContact O-N 3.27Å; R303-A305 VanDerWaalsContact C-N 3.26Å; R303-A305 PolarHBondContact O-N 2.98Å
304H92.7Very high93.5Very high89 Ų8954.8 Ų54.841%0.41225%0.254SS..  trans57.239.4-177.9-171.3-150.7000112.3D288 M299 K300 R307D288-H304 IonicContact OD1-NE2 2.83Å; M299-H304 PolarHBondContact O-N 3.49Å; K300-H304 WeakPolarHBondContact O-CA 3.49Å; K300-H304 PolarHBondContact O-N 2.88Å; H304-R307 VanDerWaalsContact CB-NH1 3.32Å; H304-R307 VanDerWaalsContact CG-NH1 3.34Å; H304-R307 PolarHBondContact ND1-NH1 3.43Å; H304-R307 VanDerWaalsContact ND1-NH1 3.19Å; H304-R307 WeakPolarHBondContact O-CD 3.41Å; H304-R307 PolarHBondContact O-NH1 3.39Å
305A94Very high93.6Very high0 Ų052.9 Ų52.90%025%0.246CC..  trans-69.117517500000112.6M299 R303 I342M299-A305 HydrophobicContact CB-CB 3.67Å; M299-A305 WeakPolarHBondContact O-CB 3.3Å; M299-A305 PolarHBondContact O-N 2.88Å; M299-A305 VanDerWaalsContact O-N 3.12Å; R303-A305 VanDerWaalsContact C-N 3.26Å; R303-A305 PolarHBondContact O-N 2.98Å; A305-I342 HydrophobicContact CB-CG2 4.14Å
306F96.3Very high93.5Very high3 Ų354 Ų541%0.01326%0.259CS..SBendtrans64.141.5-179-47.5-74.2000114.1N233 L234 Y289 P291 F296 I297 M299 K300N233-F306 VanDerWaalsContact O-CE1 3.25Å; N233-F306 WeakPolarHBondContact O-CE1 3.34Å; L234-F306 HydrophobicContact CD2-CE1 4.34Å; L234-F306 HydrophobicContact CD2-CZ 4.09Å; L234-F306 PolarHBondContact O-N 3.42Å; Y289-F306 VanDerWaalsContact CD1-C 3.5Å; Y289-F306 WeakPolarHBondContact CD1-O 3.44Å; Y289-F306 HydrophobicContact CE1-CB 4.39Å; Y289-F306 WeakPolarHBondContact CE1-O 3.44Å; Y289-F306 HydrophobicContact CE2-CB 4.29Å; Y289-F306 HydrophobicContact CE2-CD1 4.31Å; Y289-F306 PolarHBondContact N-O 2.94Å; P291-F306 HydrophobicContact CB-CD1 3.49Å; P291-F306 VanDerWaalsContact CB-CD1 3.49Å; P291-F306 HydrophobicContact CB-CE1 3.57Å; P291-F306 HydrophobicContact CB-CG 4.22Å; P291-F306 HydrophobicContact CB-CZ 4.4Å; P291-F306 HydrophobicContact CG-CD1 3.96Å; P291-F306 HydrophobicContact CG-CE1 4.08Å; P291-F306 HydrophobicContact CG-CG 4.23Å; P291-F306 HydrophobicContact CG-CZ 4.49Å; F296-F306 HydrophobicContact CB-CZ 4.42Å; F296-F306 WeakPolarHBondContact O-CE2 3.48Å; F296-F306 WeakPolarHBondContact O-CZ 3.28Å; I297-F306 HydrophobicContact CD1-CD2 4.44Å; I297-F306 HydrophobicContact CD1-CE2 4.24Å; M299-F306 HydrophobicContact CB-CE2 4.39Å; K300-F306 HydrophobicContact CB-CD2 4.03Å; K300-F306 HydrophobicContact CB-CE2 4.48Å
307R96.3Very high93.4Very high20 Ų2061.2 Ų61.28%0.07529%0.293CS..EExtended strand (participates in β ladder)trans-125165.8173.274.2-176.1-164.7-102.6-3.7112.1L236 D286 L287 H304 L309 N340L236-R307 PolarHBondContact N-O 3.27Å; D286-R307 IonicContact OD1-CZ 2.61Å; D286-R307 IonicContact OD1-NE 3.26Å; D286-R307 PolarHBondContact OD1-NE 3.01Å; D286-R307 IonicContact OD1-NH2 2.74Å; L287-R307 CarbonylContact O-C 3.59Å; L287-R307 VanDerWaalsContact O-CA 3.26Å; L287-R307 WeakPolarHBondContact O-CA 3.09Å; H304-R307 VanDerWaalsContact CB-NH1 3.32Å; H304-R307 VanDerWaalsContact CG-NH1 3.34Å; H304-R307 PolarHBondContact ND1-NH1 3.43Å; H304-R307 VanDerWaalsContact ND1-NH1 3.19Å; H304-R307 WeakPolarHBondContact O-CD 3.41Å; H304-R307 PolarHBondContact O-NH1 3.39Å; R307-L309 HydrophobicContact CG-CD2 4.1Å; R307-N340 PolarHBondContact NH2-O 2.82Å
308V97.6Very high93.1Very high0 Ų060.4 Ų60.40%029%0.294CS..EExtended strand (participates in β ladder)trans-83128.4175.3-179.90000110.8L220 L236 V238 L284 D286 L287L220-V308 HydrophobicContact CD1-CG2 3.46Å; L220-V308 VanDerWaalsContact CD1-CG2 3.46Å; L236-V308 HydrophobicContact CB-CG2 4.35Å; L236-V308 CarbonylContact O-C 3.44Å; L236-V308 WeakPolarHBondContact O-CA 3.5Å; V238-V308 HydrophobicContact CB-CG1 4.43Å; V238-V308 HydrophobicContact CG1-CG1 3.98Å; V238-V308 HydrophobicContact CG2-CG1 3.69Å; L284-V308 HydrophobicContact CB-CG1 3.99Å; L284-V308 VanDerWaalsContact O-CB 3.23Å; L284-V308 WeakPolarHBondContact O-CB 3.4Å; D286-V308 PolarHBondContact N-O 2.95Å; L287-V308 HydrophobicContact CB-CG2 4.48Å; L287-V308 PolarHBondContact O-N 3.38Å
309L97.5Very high93Very high0 Ų054.7 Ų54.70%027%0.273CS..EExtended strand (participates in β ladder)trans-104.7163.7175.3-55-177000110.6A235 L236 C237 V238 R307 V336 N340 I342A235-L309 HydrophobicContact CB-CD1 3.75Å; A235-L309 HydrophobicContact CB-CG 3.95Å; L236-L309 PolarHBondContact O-N 3.48Å; C237-L309 WeakPolarHBondContact CA-O 3.45Å; V238-L309 WeakPolarHBondContact CG2-O 3.4Å; V238-L309 PolarHBondContact N-O 2.93Å; R307-L309 HydrophobicContact CG-CD2 4.1Å; L309-V336 HydrophobicContact CB-CG1 4.11Å; L309-V336 HydrophobicContact CD1-CG1 3.78Å; L309-N340 HydrophobicContact CD1-CB 3.96Å; L309-N340 HydrophobicContact CD2-CB 3.73Å; L309-N340 HydrophobicContact CG-CB 4.44Å; L309-I342 HydrophobicContact CD1-CD1 3.79Å; L309-I342 HydrophobicContact CD2-CD1 4.2Å; L309-I342 HydrophobicContact CG-CD1 4.33Å
310C96.5Very high93.2Very high23 Ų2354.6 Ų54.616%0.15527%0.273CS..EExtended strand (participates in β ladder)trans-122.7133.1175.1-63.50000111.4V238 P240V238-C310 VanDerWaalsContact O-CA 3.27Å; V238-C310 WeakPolarHBondContact O-CA 3.35Å; P240-C310 HydrophobicContact CB-CB 4.06Å; P240-C310 HydrophobicContact CG-CB 4.31Å
311D96.2Very high93.3Very high30 Ų3051.6 Ų51.616%0.1626%0.26CS..  trans-157.7147.7172-168.1-84000109.7C237 V238 Y313 R335 V336C237-D311 PolarHBondContact SG-N 3.29Å; V238-D311 PolarHBondContact O-N 2.6Å; V238-D311 VanDerWaalsContact O-N 3.13Å; D311-Y313 VanDerWaalsContact C-N 3.27Å; D311-Y313 HydrophobicContact CB-CD1 3.78Å; D311-Y313 HydrophobicContact CB-CE1 4.24Å; D311-Y313 PolarHBondContact O-N 2.81Å; D311-Y313 WeakPolarHBondContact OD1-CB 3.38Å; D311-Y313 VanDerWaalsContact OD1-CD1 3.22Å; D311-Y313 WeakPolarHBondContact OD1-CD1 3.39Å; D311-Y313 PolarHBondContact OD1-N 2.63Å; D311-Y313 VanDerWaalsContact OD1-N 3.08Å; D311-R335 IonicContact OD1-CZ 3Å; D311-R335 IonicContact OD1-NH1 2.71Å; D311-R335 PolarHBondContact OD1-NH1 2.99Å; D311-R335 IonicContact OD1-NH2 3.87Å; D311-R335 PolarHBondContact OD1-NH2 3.22Å; D311-R335 IonicContact OD2-CZ 3.23Å; D311-R335 IonicContact OD2-NH1 3.12Å; D311-R335 PolarHBondContact OD2-NH1 2.91Å; D311-R335 IonicContact OD2-NH2 2.79Å; D311-V336 HydrophobicContact CB-CG1 4.28Å; D311-V336 HydrophobicContact CB-CG2 3.74Å
312E94.6Very high93.7Very high132 Ų13242.9 Ų42.962%0.61722%0.219SC*.THydrogen-bonded Turntrans-78.3-9.3-173.5-63.9-174.8165.400113.5N239 P240 N241 V314N239-E312 PolarHBondContact ND2-O 3.25Å; P240-E312 HydrophobicContact CG-CG 4.31Å; N241-E312 PolarHBondContact ND2-OE1 2.8Å; E312-V314 PolarHBondContact O-N 3.14Å
313Y94.2Very high94.1Very high60 Ų6040.2 Ų40.224%0.23521%0.207CC..THydrogen-bonded Turntrans-64.6-20.8176.692.7-73.5000113.4C237 D311 T315 V323 Q325 D332 V336C237-Y313 HydrophobicContact CB-CE1 4.14Å; D311-Y313 VanDerWaalsContact C-N 3.27Å; D311-Y313 HydrophobicContact CB-CD1 3.78Å; D311-Y313 HydrophobicContact CB-CE1 4.24Å; D311-Y313 PolarHBondContact O-N 2.81Å; D311-Y313 WeakPolarHBondContact OD1-CB 3.38Å; D311-Y313 VanDerWaalsContact OD1-CD1 3.22Å; D311-Y313 WeakPolarHBondContact OD1-CD1 3.39Å; D311-Y313 PolarHBondContact OD1-N 2.63Å; D311-Y313 VanDerWaalsContact OD1-N 3.08Å; Y313-T315 PolarHBondContact O-N 3.3Å; Y313-V323 WeakPolarHBondContact OH-CG1 3.28Å; Y313-Q325 PolarHBondContact OH-NE2 3.49Å; Y313-Q325 PolarHBondContact OH-OE1 2.94Å; Y313-D332 HydrophobicContact CD2-CB 3.8Å; Y313-D332 HydrophobicContact CE2-CB 3.71Å; Y313-D332 HydrophobicContact CG-CB 4.32Å; Y313-V336 HydrophobicContact CD1-CG2 4.21Å; Y313-V336 HydrophobicContact CE1-CG2 4Å
314V94.5Very high94.4Very high4 Ų436.5 Ų36.52%0.02419%0.193CC..  trans-73.1117.9174.8-1780000109C237 N239 M259 E312 G321 V323C237-V314 HydrophobicContact CB-CG2 4.21Å; N239-V314 HydrophobicContact CB-CB 4.17Å; N239-V314 WeakPolarHBondContact CB-O 3.41Å; N239-V314 PolarHBondContact ND2-O 3.45Å; M259-V314 HydrophobicContact CE-CG1 4.46Å; E312-V314 PolarHBondContact O-N 3.14Å; V314-G321 WeakPolarHBondContact CG1-O 3.29Å; V314-V323 HydrophobicContact CB-CG2 4.42Å; V314-V323 HydrophobicContact CG1-CG2 3.88Å; V314-V323 HydrophobicContact CG2-CB 4.38Å; V314-V323 HydrophobicContact CG2-CG2 3.82Å
315T93.4Very high94.6Very high64 Ų6432.3 Ų32.339%0.39317%0.174SC..  trans-104.3170.4-176.770.60000112.7Y313 E317Y313-T315 PolarHBondContact O-N 3.3Å; T315-E317 VanDerWaalsContact C-N 3.33Å
316S92Very high94.7Very high54 Ų5432.3 Ų32.338%0.37817%0.174SC..SBendtrans-85.91.4175.555.20000114.4M259 R262M259-S316 VanDerWaalsContact SD-CA 3.59Å; R262-S316 WeakPolarHBondContact CD-O 3.26Å
317E89.5Confident94.6Very high159 Ų15932.2 Ų32.274%0.74317%0.174SC*.SBendtrans-93.1-25.2-168.6-63.8-175.917600113.8R262 T315R262-E317 VanDerWaalsContact NH1-C 3.28Å; R262-E317 PolarHBondContact NH1-O 3.47Å; T315-E317 VanDerWaalsContact C-N 3.33Å
318S87.2Confident94.5Very high65 Ų6531.4 Ų31.446%0.45517%0.171SC..SBendtrans-137.3154.4-171.864.60000113.6
319G90.9Very high94.4Very high4 Ų432.1 Ų32.14%0.04117%0.174CC..THydrogen-bonded Turntrans62.9-141.7179.300000114.2R262 F265R262-G319 WeakPolarHBondContact CG-O 3.46Å; R262-G319 PolarHBondContact NE-O 3.42Å; F265-G319 WeakPolarHBondContact CD1-O 3.37Å
320T95Very high94.1Very high1 Ų132.9 Ų32.91%0.00618%0.181CC..THydrogen-bonded Turntrans-106.7-1.1-178.657.20000112.8M207 V221 W223 M258 M259 F265 V322M207-T320 HydrophobicContact CG-CG2 4.32Å; M207-T320 HydrophobicContact SD-CG2 3.81Å; V221-T320 HydrophobicContact CG1-CG2 4.07Å; V221-T320 VanDerWaalsContact O-CB 3.24Å; V221-T320 WeakPolarHBondContact O-CB 3.36Å; V221-T320 PolarHBondContact O-OG1 3.25Å; W223-T320 HydrophobicContact CB-CG2 3.89Å; M258-T320 HydrophobicContact CE-CG2 4.23Å; M259-T320 WeakPolarHBondContact CB-O 3.47Å; M259-T320 PolarHBondContact N-O 3.05Å; F265-T320 HydrophobicContact CD1-CG2 4.46Å; T320-V322 PolarHBondContact O-N 3.44Å; T320-V322 PolarHBondContact OG1-N 3.32Å; T320-V322 PolarHBondContact OG1-O 2.9Å
321G94Very high93.8Very high2 Ų238 Ų382%0.02120%0.203CC..SBendtrans74.42.5-169.100000114.8Y244 V314Y244-G321 VanDerWaalsContact CE1-O 3.28Å; Y244-G321 WeakPolarHBondContact CE1-O 3.43Å; Y244-G321 PolarHBondContact OH-O 3.44Å; V314-G321 WeakPolarHBondContact CG1-O 3.29Å
322V96.5Very high93.6Very high2 Ų239.8 Ų39.81%0.01221%0.212CC..  trans-114.8120.6166.7-175.10000107.6L220 V221 A222 L236 V238 Y244 T320L220-V322 HydrophobicContact CD2-CG2 4.44Å; V221-V322 WeakPolarHBondContact O-CB 3.47Å; A222-V322 WeakPolarHBondContact CA-O 3.48Å; A222-V322 HydrophobicContact CB-CB 4.41Å; A222-V322 HydrophobicContact CB-CG1 4.22Å; A222-V322 WeakPolarHBondContact CB-O 3.38Å; L236-V322 HydrophobicContact CB-CG1 4.03Å; L236-V322 HydrophobicContact CD1-CG1 4.12Å; L236-V322 HydrophobicContact CD2-CG1 4.32Å; L236-V322 HydrophobicContact CG-CG1 4.37Å; V238-V322 HydrophobicContact CG1-CB 4.49Å; V238-V322 HydrophobicContact CG1-CG1 4.28Å; V238-V322 HydrophobicContact CG1-CG2 4.07Å; Y244-V322 HydrophobicContact CD1-CG2 4.4Å; Y244-V322 HydrophobicContact CE1-CG2 3.93Å; T320-V322 PolarHBondContact O-N 3.44Å; T320-V322 PolarHBondContact OG1-N 3.32Å; T320-V322 PolarHBondContact OG1-O 2.9Å
323V96.8Very high93.6Very high44 Ų4434.7 Ų34.727%0.26719%0.189SC..EExtended strand (participates in β ladder)trans-108.6120.9-173.9-173.10000110L236 C237 Y313 V314 Q325L236-V323 CarbonylContact C-O 3.38Å; L236-V323 WeakPolarHBondContact CA-O 3.25Å; C237-V323 PolarHBondContact N-O 2.84Å; C237-V323 PolarHBondContact O-N 3.35Å; Y313-V323 WeakPolarHBondContact OH-CG1 3.28Å; V314-V323 HydrophobicContact CB-CG2 4.42Å; V314-V323 HydrophobicContact CG1-CG2 3.88Å; V314-V323 HydrophobicContact CG2-CB 4.38Å; V314-V323 HydrophobicContact CG2-CG2 3.82Å; V323-Q325 PolarHBondContact O-NE2 3Å
324H97.1Very high93.6Very high11 Ų1133.3 Ų33.35%0.05118%0.184CC..EExtended strand (participates in β ladder)trans-62133.3170.4142.780.9000110.5A222 T229 L230 N233 L236 A326A222-H324 HydrophobicContact CB-CB 4.4Å; T229-H324 PolarHBondContact O-CE1 3.41Å; T229-H324 PolarHBondContact OG1-NE2 3.47Å; L230-H324 HydrophobicContact CD2-CB 4.44Å; N233-H324 VanDerWaalsContact CB-CE1 3.48Å; N233-H324 WeakPolarHBondContact CB-CE1 3.38Å; N233-H324 VanDerWaalsContact CB-ND1 3.35Å; N233-H324 WeakPolarHBondContact CB-ND1 3.39Å; N233-H324 PolarHBondContact ND2-ND1 2.92Å; L236-H324 HydrophobicContact CD2-CB 4.31Å; H324-A326 WeakPolarHBondContact NE2-CB 3.34Å
325Q97.1Very high93.5Very high0 Ų035.7 Ų35.70%019%0.193CC..EExtended strand (participates in β ladder)trans-104.4118.2177.8-52.7-62.9-6900110.6N233 L234 A235 C237 Y313 V323 D333N233-Q325 WeakPolarHBondContact CA-O 3.3Å; N233-Q325 PolarHBondContact ND2-O 3.04Å; L234-Q325 PolarHBondContact N-O 2.87Å; A235-Q325 HydrophobicContact CB-CB 3.95Å; A235-Q325 HydrophobicContact CB-CG 3.92Å; A235-Q325 WeakPolarHBondContact O-CB 3.43Å; A235-Q325 PolarHBondContact O-N 3.35Å; C237-Q325 HydrophobicContact CB-CG 4.05Å; Y313-Q325 PolarHBondContact OH-NE2 3.49Å; Y313-Q325 PolarHBondContact OH-OE1 2.94Å; V323-Q325 PolarHBondContact O-NE2 3Å; Q325-D333 WeakPolarHBondContact CA-OD2 3.41Å; Q325-D333 VanDerWaalsContact OE1-CA 3.31Å
326A95.9Very high93.6Very high1 Ų132.6 Ų32.61%0.00817%0.174CC..  trans-120.987.7166.900000109.1H324 Y328 F329 G330 D333H324-A326 WeakPolarHBondContact NE2-CB 3.34Å; A326-Y328 PolarHBondContact O-N 3.07Å; A326-F329 HydrophobicContact CB-CD2 4.06Å; A326-F329 PolarHBondContact O-N 3.35Å; A326-G330 PolarHBondContact O-N 3.23Å; A326-D333 PolarHBondContact N-OD2 3.2Å
327P94.1Very high93.8Very high1 Ų130 Ų301%0.00616%0.156CC..THydrogen-bonded Turntrans-61.7-18.4-161.919.7-31.1000115.4L234 Y334 C337 I343L234-P327 HydrophobicContact CD1-CG 3.78Å; L234-P327 HydrophobicContact CG-CG 4.5Å; P327-Y334 WeakPolarHBondContact O-CA 3.37Å; P327-Y334 WeakPolarHBondContact O-CB 3.32Å; P327-Y334 WeakPolarHBondContact O-CD2 3.25Å; P327-C337 HydrophobicContact CB-CB 3.88Å; P327-C337 HydrophobicContact CG-CB 4.25Å; P327-I343 HydrophobicContact CB-CD1 3.83Å; P327-I343 HydrophobicContact CG-CG2 4.1Å
328Y94.3Very high93.9Very high3 Ų324.7 Ų24.71%0.01213%0.132CC..THydrogen-bonded Turntrans-96.98.3179.8-62.7-72.1000113.7V176 A326 Y334 I343 M347 P349 I350 K411 A412V176-Y328 HydrophobicContact CG2-CD1 3.97Å; V176-Y328 HydrophobicContact CG2-CE1 3.78Å; A326-Y328 PolarHBondContact O-N 3.07Å; Y328-Y334 HydrophobicContact CD1-CD2 4.42Å; Y328-Y334 HydrophobicContact CD1-CE2 4.41Å; Y328-Y334 HydrophobicContact CE1-CD2 4.39Å; Y328-Y334 HydrophobicContact CE1-CE2 4.03Å; Y328-I343 HydrophobicContact CE2-CG2 4.22Å; Y328-M347 WeakPolarHBondContact OH-CE 3.15Å; Y328-P349 HydrophobicContact CD1-CB 3.76Å; Y328-P349 HydrophobicContact CE1-CB 3.54Å; Y328-P349 HydrophobicContact CG-CB 4.44Å; Y328-I350 HydrophobicContact CD2-CB 3.97Å; Y328-I350 WeakPolarHBondContact CD2-O 3.4Å; Y328-I350 HydrophobicContact CE2-CB 3.7Å; Y328-I350 HydrophobicContact CE2-CG1 4.15Å; Y328-K411 CarbonylContact O-C 3.53Å; Y328-A412 HydrophobicContact CD1-CB 3.54Å; Y328-A412 HydrophobicContact CG-CB 4.06Å; Y328-A412 WeakPolarHBondContact O-CB 3.4Å; Y328-A412 PolarHBondContact O-N 3.25Å
329F94.7Very high94.1Very high15 Ų1527.5 Ų27.57%0.06614%0.141CC..THydrogen-bonded Turntrans-130.1-5178.9-55.6-77.6000113.4W228 T229 S232 A326 C351 V353 Y410 K411W228-F329 HydrophobicContact CH2-CB 4.28Å; W228-F329 AromaticContact CH2-CD1 3.53Å; W228-F329 HydrophobicContact CH2-CD1 3.53Å; W228-F329 HydrophobicContact CH2-CE1 4.12Å; W228-F329 HydrophobicContact CH2-CG 4.05Å; W228-F329 AromaticContact CZ3-CD1 3.46Å; W228-F329 HydrophobicContact CZ3-CD1 3.46Å; W228-F329 VanDerWaalsContact CZ3-CD1 3.46Å; W228-F329 AromaticContact CZ3-CE1 3.62Å; W228-F329 HydrophobicContact CZ3-CE1 3.62Å; W228-F329 HydrophobicContact CZ3-CG 4.02Å; W228-F329 HydrophobicContact CZ3-CZ 4.29Å; T229-F329 HydrophobicContact CG2-CB 4.15Å; T229-F329 HydrophobicContact CG2-CG 4.47Å; S232-F329 WeakPolarHBondContact OG-CE2 3.47Å; A326-F329 HydrophobicContact CB-CD2 4.06Å; A326-F329 PolarHBondContact O-N 3.35Å; F329-C351 HydrophobicContact CZ-CB 4.5Å; F329-C351 VanDerWaalsContact CZ-SG 3.54Å; F329-V353 HydrophobicContact CE1-CB 4.33Å; F329-V353 HydrophobicContact CE1-CG2 3.96Å; F329-V353 HydrophobicContact CZ-CB 4.43Å; F329-V353 HydrophobicContact CZ-CG2 3.82Å; F329-Y410 WeakPolarHBondContact CA-O 3.49Å; F329-Y410 WeakPolarHBondContact CD1-O 3.33Å; F329-Y410 WeakPolarHBondContact O-CB 3.32Å; F329-K411 HydrophobicContact CE1-CG 4.33Å
330G91.8Very high94.3Very high15 Ų1529.1 Ų29.116%0.15515%0.149CC..  trans-136.5141.5174.500000112.1A326 Y334A326-G330 PolarHBondContact O-N 3.23Å; G330-Y334 WeakPolarHBondContact O-CB 3.45Å; G330-Y334 PolarHBondContact O-N 3.42Å
331E89.3Confident94.2Very high130 Ų13030.9 Ų30.961%0.60717%0.167SC*.Hα-helixtrans-70.1-43.8-179.5-175.6174.5179.800112.1Y334 R335E331-Y334 WeakPolarHBondContact O-CB 3.43Å; E331-Y334 PolarHBondContact O-N 2.83Å; E331-R335 WeakPolarHBondContact O-CB 3.41Å; E331-R335 PolarHBondContact O-N 3.38Å
332D92.9Very high94.1Very high68 Ų6830.8 Ų30.836%0.36417%0.166SC..Hα-helixtrans-66.2-41.7174-78.3-57.8000111.4Y313 Y334 R335 V336Y313-D332 HydrophobicContact CD2-CB 3.8Å; Y313-D332 HydrophobicContact CE2-CB 3.71Å; Y313-D332 HydrophobicContact CG-CB 4.32Å; D332-Y334 VanDerWaalsContact C-N 3.29Å; D332-Y334 PolarHBondContact O-N 2.91Å; D332-R335 WeakPolarHBondContact O-CB 3.33Å; D332-R335 PolarHBondContact O-N 3.41Å; D332-R335 VanDerWaalsContact O-N 3.1Å; D332-R335 IonicContact OD1-CZ 3.83Å; D332-R335 IonicContact OD1-NE 3.59Å; D332-R335 PolarHBondContact OD1-NE 3.11Å; D332-R335 VanDerWaalsContact OD1-NE 3.13Å; D332-R335 IonicContact OD1-NH2 2.79Å; D332-R335 PolarHBondContact OD1-NH2 3.07Å; D332-V336 WeakPolarHBondContact O-CB 3.2Å; D332-V336 VanDerWaalsContact O-CG2 3.31Å; D332-V336 WeakPolarHBondContact O-CG2 3.45Å; D332-V336 PolarHBondContact O-N 3.07Å
333D95.1Very high94Very high25 Ų2530.7 Ų30.713%0.13417%0.166CC..Hα-helixtrans-56.6-45.7175.6-57.627.4000111.5Q325 A326 C337Q325-D333 WeakPolarHBondContact CA-OD2 3.41Å; Q325-D333 VanDerWaalsContact OE1-CA 3.31Å; A326-D333 PolarHBondContact N-OD2 3.2Å; D333-C337 VanDerWaalsContact O-CB 3.25Å; D333-C337 WeakPolarHBondContact O-CB 3.32Å; D333-C337 PolarHBondContact O-N 3.39Å; D333-C337 PolarHBondContact O-SG 3.33Å
334Y93.6Very high93.6Very high32 Ų3231 Ų3113%0.12517%0.167CC..Hα-helixtrans-58.6-50.9174.6-171.5-98.7000110.9V176 V178 P327 Y328 G330 E331 D332 L338 I343V176-Y334 HydrophobicContact CG2-CD2 4.26Å; V176-Y334 HydrophobicContact CG2-CE2 3.37Å; V178-Y334 HydrophobicContact CG2-CG 4.47Å; P327-Y334 WeakPolarHBondContact O-CA 3.37Å; P327-Y334 WeakPolarHBondContact O-CB 3.32Å; P327-Y334 WeakPolarHBondContact O-CD2 3.25Å; Y328-Y334 HydrophobicContact CD1-CD2 4.42Å; Y328-Y334 HydrophobicContact CD1-CE2 4.41Å; Y328-Y334 HydrophobicContact CE1-CD2 4.39Å; Y328-Y334 HydrophobicContact CE1-CE2 4.03Å; G330-Y334 WeakPolarHBondContact O-CB 3.45Å; G330-Y334 PolarHBondContact O-N 3.42Å; E331-Y334 WeakPolarHBondContact O-CB 3.43Å; E331-Y334 PolarHBondContact O-N 2.83Å; D332-Y334 VanDerWaalsContact C-N 3.29Å; D332-Y334 PolarHBondContact O-N 2.91Å; Y334-L338 HydrophobicContact CE1-CD2 4.16Å; Y334-L338 WeakPolarHBondContact O-CB 3.17Å; Y334-L338 PolarHBondContact O-N 3.37Å; Y334-I343 HydrophobicContact CD2-CD1 3.41Å; Y334-I343 VanDerWaalsContact CD2-CD1 3.41Å; Y334-I343 HydrophobicContact CE2-CD1 3.46Å; Y334-I343 VanDerWaalsContact CE2-CD1 3.46Å; Y334-I343 HydrophobicContact CG-CD1 4.07Å
335R92.9Very high93Very high53 Ų5332.6 Ų32.620%0.217%0.174CC..Hα-helixtrans-59.9-49.9-178.2178.3-176.463.775.8-1.6111.6D311 E331 D332 L338 L339D311-R335 IonicContact OD1-CZ 3Å; D311-R335 IonicContact OD1-NH1 2.71Å; D311-R335 PolarHBondContact OD1-NH1 2.99Å; D311-R335 IonicContact OD1-NH2 3.87Å; D311-R335 PolarHBondContact OD1-NH2 3.22Å; D311-R335 IonicContact OD2-CZ 3.23Å; D311-R335 IonicContact OD2-NH1 3.12Å; D311-R335 PolarHBondContact OD2-NH1 2.91Å; D311-R335 IonicContact OD2-NH2 2.79Å; E331-R335 WeakPolarHBondContact O-CB 3.41Å; E331-R335 PolarHBondContact O-N 3.38Å; D332-R335 WeakPolarHBondContact O-CB 3.33Å; D332-R335 PolarHBondContact O-N 3.41Å; D332-R335 VanDerWaalsContact O-N 3.1Å; D332-R335 IonicContact OD1-CZ 3.83Å; D332-R335 IonicContact OD1-NE 3.59Å; D332-R335 PolarHBondContact OD1-NE 3.11Å; D332-R335 VanDerWaalsContact OD1-NE 3.13Å; D332-R335 IonicContact OD1-NH2 2.79Å; D332-R335 PolarHBondContact OD1-NH2 3.07Å; R335-L338 PolarHBondContact O-N 2.92Å; R335-L339 HydrophobicContact CG-CD1 4.03Å; R335-L339 WeakPolarHBondContact O-CB 3.41Å; R335-L339 VanDerWaalsContact O-CG 3.28Å; R335-L339 WeakPolarHBondContact O-CG 3.32Å; R335-L339 PolarHBondContact O-N 3.49Å
336V95.4Very high92.2Very high0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-66.9-44-176.6175.10000110.6L309 D311 Y313 D332 L338 L339 N340L309-V336 HydrophobicContact CB-CG1 4.11Å; L309-V336 HydrophobicContact CD1-CG1 3.78Å; D311-V336 HydrophobicContact CB-CG1 4.28Å; D311-V336 HydrophobicContact CB-CG2 3.74Å; Y313-V336 HydrophobicContact CD1-CG2 4.21Å; Y313-V336 HydrophobicContact CE1-CG2 4Å; D332-V336 WeakPolarHBondContact O-CB 3.2Å; D332-V336 VanDerWaalsContact O-CG2 3.31Å; D332-V336 WeakPolarHBondContact O-CG2 3.45Å; D332-V336 PolarHBondContact O-N 3.07Å; V336-L338 VanDerWaalsContact C-N 3.32Å; V336-L338 PolarHBondContact O-N 3.44Å; V336-L339 PolarHBondContact O-N 2.94Å; V336-N340 PolarHBondContact O-N 3.35Å; V336-N340 VanDerWaalsContact O-N 3.13Å; V336-N340 PolarHBondContact O-ND2 3.13Å
337C95.3Very high91.6Very high0 Ų039.7 Ų39.70%021%0.208CC..Hα-helixtrans-66.3-35.1176.7-67.30000112.2P327 D333 G341 I342 I343P327-C337 HydrophobicContact CB-CB 3.88Å; P327-C337 HydrophobicContact CG-CB 4.25Å; D333-C337 VanDerWaalsContact O-CB 3.25Å; D333-C337 WeakPolarHBondContact O-CB 3.32Å; D333-C337 PolarHBondContact O-N 3.39Å; D333-C337 PolarHBondContact O-SG 3.33Å; C337-G341 PolarHBondContact O-N 3.44Å; C337-I342 HydrophobicContact CB-CB 4.16Å; C337-I342 PolarHBondContact O-N 3.23Å; C337-I343 HydrophobicContact CB-CD1 4.2Å; C337-I343 HydrophobicContact CB-CG1 3.85Å; C337-I343 PolarHBondContact O-N 2.91Å
338L92.2Very high91Very high47 Ų4744.9 Ų44.925%0.24624%0.236CC..Hα-helixtrans-65.8-47.3175.4-177.170.4000111.5Y334 R335 V336 N340 G341 I343 K345Y334-L338 HydrophobicContact CE1-CD2 4.16Å; Y334-L338 WeakPolarHBondContact O-CB 3.17Å; Y334-L338 PolarHBondContact O-N 3.37Å; R335-L338 PolarHBondContact O-N 2.92Å; V336-L338 VanDerWaalsContact C-N 3.32Å; V336-L338 PolarHBondContact O-N 3.44Å; L338-N340 PolarHBondContact O-N 2.87Å; L338-G341 PolarHBondContact O-N 3.07Å; L338-I343 HydrophobicContact CB-CD1 4.39Å; L338-I343 HydrophobicContact CB-CG1 4.15Å; L338-I343 HydrophobicContact CD1-CG1 4.46Å; L338-K345 HydrophobicContact CD1-CG 3.89Å; L338-K345 HydrophobicContact CD2-CG 3.92Å
339L92.1Very high90.6Very high123 Ų12346.3 Ų46.364%0.64425%0.245SC*.Hα-helixtrans-62-31.3178.6-73.1170.4000112.8R335 V336R335-L339 HydrophobicContact CG-CD1 4.03Å; R335-L339 WeakPolarHBondContact O-CB 3.41Å; R335-L339 VanDerWaalsContact O-CG 3.28Å; R335-L339 WeakPolarHBondContact O-CG 3.32Å; R335-L339 PolarHBondContact O-N 3.49Å; V336-L339 PolarHBondContact O-N 2.94Å
340N94.5Very high90.2Very high39 Ų3946.4 Ų46.421%0.20925%0.246CC..THydrogen-bonded Turntrans-95.58.8-179.6-71.4-84.7000113.8R307 L309 V336 L338 I342R307-N340 PolarHBondContact NH2-O 2.82Å; L309-N340 HydrophobicContact CD1-CB 3.96Å; L309-N340 HydrophobicContact CD2-CB 3.73Å; L309-N340 HydrophobicContact CG-CB 4.44Å; V336-N340 PolarHBondContact O-N 3.35Å; V336-N340 VanDerWaalsContact O-N 3.13Å; V336-N340 PolarHBondContact O-ND2 3.13Å; L338-N340 PolarHBondContact O-N 2.87Å; N340-I342 VanDerWaalsContact C-N 3.28Å; N340-I342 PolarHBondContact O-N 2.74Å
341G92.2Very high90.1Very high37 Ų3746.9 Ų46.938%0.38125%0.247SC..THydrogen-bonded Turntrans72.510.5173.700000116C337 L338 I343C337-G341 PolarHBondContact O-N 3.44Å; L338-G341 PolarHBondContact O-N 3.07Å; G341-I343 VanDerWaalsContact C-N 3.32Å
342I93.3Very high90.3Very high0 Ų040.9 Ų40.90%022%0.219CC..SBendtrans-69.3-35.7176.6-63.5-172.4000110.6L234 A235 M299 A305 L309 C337 N340L234-I342 HydrophobicContact CB-CG2 4.15Å; L234-I342 HydrophobicContact CD1-CG2 4.4Å; A235-I342 HydrophobicContact CB-CD1 3.68Å; M299-I342 WeakPolarHBondContact CE-O 3.38Å; A305-I342 HydrophobicContact CB-CG2 4.14Å; L309-I342 HydrophobicContact CD1-CD1 3.79Å; L309-I342 HydrophobicContact CD2-CD1 4.2Å; L309-I342 HydrophobicContact CG-CD1 4.33Å; C337-I342 HydrophobicContact CB-CB 4.16Å; C337-I342 PolarHBondContact O-N 3.23Å; N340-I342 VanDerWaalsContact C-N 3.28Å; N340-I342 PolarHBondContact O-N 2.74Å
343I93.2Very high90.3Very high1 Ų137.9 Ų37.91%0.00520%0.203CC..SBendtrans-127.3163.5174.362.8163.6000109.7L234 P327 Y328 Y334 C337 L338 G341 M347L234-I343 HydrophobicContact CD1-CG2 4.42Å; P327-I343 HydrophobicContact CB-CD1 3.83Å; P327-I343 HydrophobicContact CG-CG2 4.1Å; Y328-I343 HydrophobicContact CE2-CG2 4.22Å; Y334-I343 HydrophobicContact CD2-CD1 3.41Å; Y334-I343 VanDerWaalsContact CD2-CD1 3.41Å; Y334-I343 HydrophobicContact CE2-CD1 3.46Å; Y334-I343 VanDerWaalsContact CE2-CD1 3.46Å; Y334-I343 HydrophobicContact CG-CD1 4.07Å; C337-I343 HydrophobicContact CB-CD1 4.2Å; C337-I343 HydrophobicContact CB-CG1 3.85Å; C337-I343 PolarHBondContact O-N 2.91Å; L338-I343 HydrophobicContact CB-CD1 4.39Å; L338-I343 HydrophobicContact CB-CG1 4.15Å; L338-I343 HydrophobicContact CD1-CG1 4.46Å; G341-I343 VanDerWaalsContact C-N 3.32Å; I343-M347 HydrophobicContact CB-CE 3.86Å; I343-M347 HydrophobicContact CG2-CE 3.63Å
344T88.8Confident90Very high49 Ų4939.3 Ų39.330%0.30121%0.211SC..  trans-128.5157.1172.167.60000110.4E346 M347T344-E346 PolarHBondContact O-N 3.35Å; T344-E346 VanDerWaalsContact O-N 3.16Å; T344-M347 WeakPolarHBondContact O-CB 3.33Å; T344-M347 PolarHBondContact O-N 2.84Å; T344-M347 WeakPolarHBondContact OG1-CB 3.41Å; T344-M347 PolarHBondContact OG1-N 2.74Å
345K84Confident89.5Confident45 Ų4541.3 Ų41.320%0.19623%0.229CC..THydrogen-bonded Turntrans-58.8-28.1-177.1-68.8-176.4172-176.80113.6Y173 G175 L338 E421 D455Y173-K345 HydrophobicContact CE2-CB 3.89Å; G175-K345 WeakPolarHBondContact CA-O 3.31Å; L338-K345 HydrophobicContact CD1-CG 3.89Å; L338-K345 HydrophobicContact CD2-CG 3.92Å; K345-E421 IonicContact NZ-OE1 3.7Å; K345-E421 PolarHBondContact NZ-OE1 3.21Å; K345-E421 IonicContact NZ-OE2 2.91Å; K345-E421 PolarHBondContact NZ-OE2 3.01Å; K345-D455 IonicContact NZ-OD2 3.17Å; K345-D455 PolarHBondContact NZ-OD2 2.99Å
346E80.4Confident89Confident115 Ų11540.8 Ų40.854%0.53724%0.237SC..THydrogen-bonded Turntrans-103.1-3.2-174.8-68.4160.7-147.200112.8Y173 T344 R419Y173-E346 HydrophobicContact CD2-CG 3.95Å; T344-E346 PolarHBondContact O-N 3.35Å; T344-E346 VanDerWaalsContact O-N 3.16Å; E346-R419 IonicContact OE1-CZ 3.82Å; E346-R419 VanDerWaalsContact OE1-CZ 3.29Å; E346-R419 IonicContact OE1-NH1 3.9Å; E346-R419 PolarHBondContact OE1-NH1 2.91Å; E346-R419 IonicContact OE1-NH2 2.68Å; E346-R419 PolarHBondContact OE1-NH2 2.97Å
347M84.1Confident88.7Confident35 Ų3540.8 Ų40.817%0.17224%0.237CC..SBendtrans-65.3145.6179-161.9168.974.400110.7M299 Y328 I343 T344 I350M299-M347 HydrophobicContact CE-CE 4Å; M299-M347 HydrophobicContact CE-SD 4.35Å; Y328-M347 WeakPolarHBondContact OH-CE 3.15Å; I343-M347 HydrophobicContact CB-CE 3.86Å; I343-M347 HydrophobicContact CG2-CE 3.63Å; T344-M347 WeakPolarHBondContact O-CB 3.33Å; T344-M347 PolarHBondContact O-N 2.84Å; T344-M347 WeakPolarHBondContact OG1-CB 3.41Å; T344-M347 PolarHBondContact OG1-N 2.74Å; M347-I350 HydrophobicContact CE-CD1 4.16Å; M347-I350 HydrophobicContact CE-CG1 4.42Å
348N81.4Confident88.6Confident111 Ų11145.2 Ų45.259%0.59426%0.256SS*.PPolyproline II helixtrans-59.4126.8168.2-82.2-29.6000109.4I350N348-I350 PolarHBondContact O-N 2.95Å
349P85Confident88.7Confident32 Ų3243.1 Ų43.121%0.20825%0.245CC..PPolyproline II helixtrans-70.1132.1-172.926.2-34000111.6V176 Y328 C351V176-P349 HydrophobicContact CG1-CB 3.69Å; V176-P349 HydrophobicContact CG1-CG 3.73Å; Y328-P349 HydrophobicContact CD1-CB 3.76Å; Y328-P349 HydrophobicContact CE1-CB 3.54Å; Y328-P349 HydrophobicContact CG-CB 4.44Å; P349-C351 VanDerWaalsContact C-N 3.28Å; P349-C351 PolarHBondContact O-N 2.76Å; P349-C351 VanDerWaalsContact O-N 3.09Å
350I87.6Confident88.7Confident17 Ų1739.1 Ų39.19%0.08723%0.225CC..  trans-85.874.6174.2-53.1175.3000107.9L234 F296 M299 Y328 M347 N348L234-I350 HydrophobicContact CD1-CD1 4.26Å; F296-I350 HydrophobicContact CD1-CG2 3.5Å; F296-I350 VanDerWaalsContact CD1-CG2 3.5Å; F296-I350 HydrophobicContact CD2-CG2 4.14Å; F296-I350 HydrophobicContact CE1-CG2 3.35Å; F296-I350 HydrophobicContact CE2-CG2 3.99Å; F296-I350 HydrophobicContact CG-CG2 3.91Å; F296-I350 HydrophobicContact CZ-CG2 3.61Å; M299-I350 HydrophobicContact CE-CD1 3.81Å; M299-I350 HydrophobicContact CG-CD1 3.89Å; M299-I350 HydrophobicContact SD-CD1 3.6Å; M299-I350 VanDerWaalsContact SD-CD1 3.6Å; Y328-I350 HydrophobicContact CD2-CB 3.97Å; Y328-I350 WeakPolarHBondContact CD2-O 3.4Å; Y328-I350 HydrophobicContact CE2-CB 3.7Å; Y328-I350 HydrophobicContact CE2-CG1 4.15Å; M347-I350 HydrophobicContact CE-CD1 4.16Å; M347-I350 HydrophobicContact CE-CG1 4.42Å; N348-I350 PolarHBondContact O-N 2.95Å
351C90.1Very high88.6Confident26 Ų2645.2 Ų45.218%0.17625%0.25CC..  trans-121.987.8-179.9-172.80000109.1F329 P349 V353 K411F329-C351 HydrophobicContact CZ-CB 4.5Å; F329-C351 VanDerWaalsContact CZ-SG 3.54Å; P349-C351 VanDerWaalsContact C-N 3.28Å; P349-C351 PolarHBondContact O-N 2.76Å; P349-C351 VanDerWaalsContact O-N 3.09Å; C351-V353 PolarHBondContact O-N 3.01Å; C351-K411 WeakPolarHBondContact SG-CE 3.41Å
352P92.8Very high88.5Confident3 Ų347.4 Ų47.42%0.01925%0.25CS..  trans-79.340.9-173.735.8-39.5000112.6S232 F296 Y359 T360 E362 V363S232-P352 WeakPolarHBondContact OG-CD 3.49Å; S232-P352 WeakPolarHBondContact OG-CG 3.34Å; F296-P352 HydrophobicContact CE2-CG 4.24Å; F296-P352 HydrophobicContact CZ-CB 4.07Å; F296-P352 HydrophobicContact CZ-CG 3.87Å; P352-Y359 VanDerWaalsContact O-CA 3.31Å; P352-Y359 WeakPolarHBondContact O-CA 3.46Å; P352-Y359 WeakPolarHBondContact O-CD1 3.24Å; P352-T360 WeakPolarHBondContact CA-OG1 3.39Å; P352-T360 PolarHBondContact O-N 2.81Å; P352-T360 PolarHBondContact O-OG1 3Å; P352-E362 HydrophobicContact CB-CB 4.12Å; P352-V363 HydrophobicContact CB-CG2 3.64Å; P352-V363 HydrophobicContact CG-CG2 3.69Å
353V92.3Very high88.5Confident5 Ų547.4 Ų47.43%0.0325%0.25CS..BIsolated β-bridgetrans-133.4127.5-178.2-179.40000108.4F329 C351 K358 Y359 V371 I409 K411F329-V353 HydrophobicContact CE1-CB 4.33Å; F329-V353 HydrophobicContact CE1-CG2 3.96Å; F329-V353 HydrophobicContact CZ-CB 4.43Å; F329-V353 HydrophobicContact CZ-CG2 3.82Å; C351-V353 PolarHBondContact O-N 3.01Å; V353-K358 CarbonylContact C-O 3.47Å; V353-K358 VanDerWaalsContact CA-O 3.32Å; V353-K358 WeakPolarHBondContact CA-O 3.29Å; V353-Y359 HydrophobicContact CG2-CD1 4.22Å; V353-Y359 HydrophobicContact CG2-CE1 4.26Å; V353-V371 HydrophobicContact CG1-CG1 3.99Å; V353-V371 HydrophobicContact CG2-CG1 3.91Å; V353-I409 HydrophobicContact CG1-CD1 4.44Å; V353-K411 WeakPolarHBondContact O-CE 3.41Å; V353-K411 PolarHBondContact O-NZ 3.38Å
354D88.7Confident88.4Confident56 Ų5655.2 Ų55.230%0.29928%0.284SS..  trans-78.1-176179.472.512.7000112.7A356 G357 K358 T360 K411D354-A356 VanDerWaalsContact C-N 3.27Å; D354-A356 PolarHBondContact O-N 3.07Å; D354-A356 WeakPolarHBondContact OD1-CA 3.37Å; D354-A356 WeakPolarHBondContact OD1-CB 3.43Å; D354-A356 PolarHBondContact OD1-N 3.37Å; D354-G357 PolarHBondContact O-N 3.31Å; D354-G357 PolarHBondContact OD1-N 3.22Å; D354-K358 PolarHBondContact N-O 2.92Å; D354-K358 PolarHBondContact OD1-N 2.82Å; D354-T360 HydrophobicContact CB-CG2 4.14Å; D354-K411 PolarHBondContact O-NZ 3.36Å
355S83.2Confident88.4Confident73 Ų7356.8 Ų56.851%0.5129%0.288SS..THydrogen-bonded Turntrans-70.3-19.4178500000113.7F181 G186 G357F181-S355 VanDerWaalsContact CE1-O 3.31Å; F181-S355 WeakPolarHBondContact CE1-O 3.39Å; G186-S355 WeakPolarHBondContact CA-O 3.39Å; S355-G357 VanDerWaalsContact C-N 3.28Å
356A83.7Confident88.9Confident43 Ų4355 Ų5536%0.35528%0.28SS..THydrogen-bonded Turntrans-86.70.4174.800000112.5D354 K358D354-A356 VanDerWaalsContact C-N 3.27Å; D354-A356 PolarHBondContact O-N 3.07Å; D354-A356 WeakPolarHBondContact OD1-CA 3.37Å; D354-A356 WeakPolarHBondContact OD1-CB 3.43Å; D354-A356 PolarHBondContact OD1-N 3.37Å; A356-K358 HydrophobicContact CB-CD 4.45Å; A356-K358 HydrophobicContact CB-CG 4.44Å
357G88.1Confident89.5Confident0 Ų052.7 Ų52.70%028%0.276CS..SBendtrans75.825.7-176.500000113.1D354 S355 Y370 V371D354-G357 PolarHBondContact O-N 3.31Å; D354-G357 PolarHBondContact OD1-N 3.22Å; S355-G357 VanDerWaalsContact C-N 3.28Å; G357-Y370 WeakPolarHBondContact O-CA 3.26Å; G357-Y370 WeakPolarHBondContact O-CD2 3.29Å; G357-V371 WeakPolarHBondContact O-CG1 3.36Å; G357-V371 PolarHBondContact O-N 3.44Å
358K92.4Very high89.8Confident92 Ų9253 Ų5340%0.429%0.289SS..BIsolated β-bridgetrans-104.8149.1177.1-63.5174.9172-171.90111.5V353 D354 A356 G368 Q369V353-K358 CarbonylContact C-O 3.47Å; V353-K358 VanDerWaalsContact CA-O 3.32Å; V353-K358 WeakPolarHBondContact CA-O 3.29Å; D354-K358 PolarHBondContact N-O 2.92Å; D354-K358 PolarHBondContact OD1-N 2.82Å; A356-K358 HydrophobicContact CB-CD 4.45Å; A356-K358 HydrophobicContact CB-CG 4.44Å; K358-G368 WeakPolarHBondContact CD-O 3.31Å; K358-Q369 CarbonylContact C-O 3.59Å; K358-Q369 WeakPolarHBondContact CA-O 3.45Å
359Y95.1Very high90.3Very high4 Ų451.5 Ų51.52%0.01628%0.278CS..BIsolated β-bridgetrans-67.2141.4176.9-74-74000112.8W228 P231 P352 V353 V363 F366 G368 Q369 V371 A374 I378W228-Y359 VanDerWaalsContact CA-OH 3.27Å; W228-Y359 WeakPolarHBondContact CA-OH 3.26Å; W228-Y359 WeakPolarHBondContact CB-OH 3.45Å; W228-Y359 PolarHBondContact O-OH 2.92Å; P231-Y359 HydrophobicContact CB-CE1 4.44Å; P231-Y359 HydrophobicContact CG-CE1 4.36Å; P352-Y359 VanDerWaalsContact O-CA 3.31Å; P352-Y359 WeakPolarHBondContact O-CA 3.46Å; P352-Y359 WeakPolarHBondContact O-CD1 3.24Å; V353-Y359 HydrophobicContact CG2-CD1 4.22Å; V353-Y359 HydrophobicContact CG2-CE1 4.26Å; Y359-V363 HydrophobicContact CD1-CB 3.84Å; Y359-V363 HydrophobicContact CD1-CG1 3.8Å; Y359-V363 HydrophobicContact CD1-CG2 3.91Å; Y359-V363 HydrophobicContact CE1-CG1 4.16Å; Y359-V363 HydrophobicContact CE1-CG2 4.32Å; Y359-V363 HydrophobicContact CG-CB 4.24Å; Y359-V363 HydrophobicContact CG-CG1 4.06Å; Y359-F366 WeakPolarHBondContact CB-O 3.48Å; Y359-F366 HydrophobicContact CD2-CB 3.54Å; Y359-F366 HydrophobicContact CE2-CB 3.91Å; Y359-F366 HydrophobicContact CG-CB 4.16Å; Y359-G368 PolarHBondContact O-N 3.33Å; Y359-Q369 PolarHBondContact N-O 2.9Å; Y359-V371 HydrophobicContact CE2-CG1 4.24Å; Y359-A374 HydrophobicContact CD2-CB 4.22Å; Y359-A374 HydrophobicContact CE2-CB 3.58Å; Y359-I378 HydrophobicContact CE2-CD1 4.47Å; Y359-I378 WeakPolarHBondContact OH-CD1 3.43Å
360T92.3Very high90.7Very high38 Ų3852.2 Ų52.223%0.23328%0.277CS..  trans-90.8177.1174.957.70000111.8P352 D354 E362 V363P352-T360 WeakPolarHBondContact CA-OG1 3.39Å; P352-T360 PolarHBondContact O-N 2.81Å; P352-T360 PolarHBondContact O-OG1 3Å; D354-T360 HydrophobicContact CB-CG2 4.14Å; T360-E362 WeakPolarHBondContact CB-OE2 3.49Å; T360-E362 PolarHBondContact O-N 3.28Å; T360-E362 PolarHBondContact OG1-OE2 3.47Å; T360-V363 PolarHBondContact O-N 3.21Å; T360-V363 VanDerWaalsContact O-N 3.09Å
361K92Very high91Very high167 Ų16751.4 Ų51.473%0.72627%0.273SS*.THydrogen-bonded Turntrans-58.1-21.3-173.164.4-178.5179.8-179.60115.3V363K361-V363 VanDerWaalsContact C-N 3.27Å; K361-V363 PolarHBondContact O-N 3.1Å
362E90.5Very high91Very high84 Ų8451.9 Ų51.939%0.39327%0.272SS..THydrogen-bonded Turntrans-64.5-32.8177.8-64.976.8-171.300111.5F296 P352 T360F296-E362 HydrophobicContact CE1-CB 4.14Å; F296-E362 HydrophobicContact CZ-CB 4.22Å; P352-E362 HydrophobicContact CB-CB 4.12Å; T360-E362 WeakPolarHBondContact CB-OE2 3.49Å; T360-E362 PolarHBondContact O-N 3.28Å; T360-E362 PolarHBondContact OG1-OE2 3.47Å
363V92.8Very high90.9Very high0 Ų057.2 Ų57.20%030%0.3CS..SBendtrans-102.586.6178.21770000108.7P231 Y295 P352 Y359 T360 K361 E365 F366 C367P231-V363 HydrophobicContact CB-CG1 4.25Å; P231-V363 HydrophobicContact CB-CG2 4.15Å; Y295-V363 HydrophobicContact CD2-CB 4.45Å; Y295-V363 HydrophobicContact CD2-CG1 4.34Å; Y295-V363 HydrophobicContact CD2-CG2 3.96Å; Y295-V363 HydrophobicContact CE2-CB 4.31Å; Y295-V363 HydrophobicContact CE2-CG1 3.76Å; Y295-V363 HydrophobicContact CE2-CG2 4.22Å; P352-V363 HydrophobicContact CB-CG2 3.64Å; P352-V363 HydrophobicContact CG-CG2 3.69Å; Y359-V363 HydrophobicContact CD1-CB 3.84Å; Y359-V363 HydrophobicContact CD1-CG1 3.8Å; Y359-V363 HydrophobicContact CD1-CG2 3.91Å; Y359-V363 HydrophobicContact CE1-CG1 4.16Å; Y359-V363 HydrophobicContact CE1-CG2 4.32Å; Y359-V363 HydrophobicContact CG-CB 4.24Å; Y359-V363 HydrophobicContact CG-CG1 4.06Å; T360-V363 PolarHBondContact O-N 3.21Å; T360-V363 VanDerWaalsContact O-N 3.09Å; K361-V363 VanDerWaalsContact C-N 3.27Å; K361-V363 PolarHBondContact O-N 3.1Å; V363-E365 PolarHBondContact O-N 3.41Å; V363-F366 HydrophobicContact CG1-CB 4.09Å; V363-F366 HydrophobicContact CG1-CD2 3.7Å; V363-F366 HydrophobicContact CG1-CG 4.39Å; V363-F366 PolarHBondContact O-N 2.9Å; V363-C367 WeakPolarHBondContact O-CA 3.17Å; V363-C367 WeakPolarHBondContact O-CB 3.35Å; V363-C367 PolarHBondContact O-N 3.23Å
364K90.3Very high90.9Very high165 Ų16557 Ų5772%0.71730%0.299SS*.G310 helixtrans-61.7-47.8-165.9-62.8175-175170.40113.4F366K364-F366 VanDerWaalsContact C-N 3.28Å; K364-F366 PolarHBondContact O-N 3.33Å
365E90.6Very high91.2Very high82 Ų8254.6 Ų54.638%0.38329%0.286SS..G310 helixtrans-67-25.9-174.2-7291.8134.800113.7Y295 V363 R385Y295-E365 WeakPolarHBondContact CE1-OE2 3.47Å; Y295-E365 PolarHBondContact OH-OE1 2.86Å; Y295-E365 PolarHBondContact OH-OE2 3.24Å; V363-E365 PolarHBondContact O-N 3.41Å; E365-R385 IonicContact OE1-NH2 3.9Å; E365-R385 PolarHBondContact OE1-NH2 2.99Å; E365-R385 VanDerWaalsContact OE1-NH2 3.14Å
366F93.1Very high91.6Very high7 Ų759.7 Ų59.73%0.03130%0.299CS..G310 helixtrans-117.97.3-175.8-47.4-64.9000113.2F293 Y359 V363 K364 G368 Q369 A374 A377 I378 L381F293-F366 AromaticContact CE1-CE2 3.93Å; F293-F366 HydrophobicContact CE1-CE2 3.93Å; F293-F366 HydrophobicContact CZ-CE2 4.23Å; Y359-F366 WeakPolarHBondContact CB-O 3.48Å; Y359-F366 HydrophobicContact CD2-CB 3.54Å; Y359-F366 HydrophobicContact CE2-CB 3.91Å; Y359-F366 HydrophobicContact CG-CB 4.16Å; V363-F366 HydrophobicContact CG1-CB 4.09Å; V363-F366 HydrophobicContact CG1-CD2 3.7Å; V363-F366 HydrophobicContact CG1-CG 4.39Å; V363-F366 PolarHBondContact O-N 2.9Å; K364-F366 VanDerWaalsContact C-N 3.28Å; K364-F366 PolarHBondContact O-N 3.33Å; F366-G368 PolarHBondContact O-N 3.35Å; F366-Q369 VanDerWaalsContact O-CB 3.26Å; F366-Q369 WeakPolarHBondContact O-CB 3.46Å; F366-Q369 WeakPolarHBondContact O-CG 3.38Å; F366-Q369 PolarHBondContact O-N 3.39Å; F366-A374 HydrophobicContact CB-CB 4.49Å; F366-A377 HydrophobicContact CD1-CB 4Å; F366-A377 HydrophobicContact CE1-CB 3.67Å; F366-I378 HydrophobicContact CD1-CG1 4.34Å; F366-I378 HydrophobicContact CD2-CD1 4.47Å; F366-I378 HydrophobicContact CD2-CG1 3.98Å; F366-I378 HydrophobicContact CE1-CG1 3.93Å; F366-I378 HydrophobicContact CE2-CD1 4.42Å; F366-I378 HydrophobicContact CE2-CG1 3.54Å; F366-I378 HydrophobicContact CG-CG1 4.37Å; F366-I378 HydrophobicContact CZ-CB 4.29Å; F366-I378 HydrophobicContact CZ-CG1 3.51Å; F366-L381 HydrophobicContact CE2-CD2 4.3Å; F366-L381 HydrophobicContact CZ-CB 4.47Å; F366-L381 HydrophobicContact CZ-CD2 3.73Å
367C92.7Very high92.1Very high67 Ų6759.2 Ų59.245%0.45330%0.295SS..BIsolated β-bridgetrans-50.3128.9-177.3-177.10000111.4V363 Q369V363-C367 WeakPolarHBondContact O-CA 3.17Å; V363-C367 WeakPolarHBondContact O-CB 3.35Å; V363-C367 PolarHBondContact O-N 3.23Å; C367-Q369 VanDerWaalsContact C-N 3.28Å; C367-Q369 PolarHBondContact O-N 3.12Å
368G91Very high92.4Very high42 Ų4259.2 Ų59.243%0.43330%0.295SS..THydrogen-bonded Turntrans80-6.7-178.300000115.9K358 Y359 F366K358-G368 WeakPolarHBondContact CD-O 3.31Å; Y359-G368 PolarHBondContact O-N 3.33Å; F366-G368 PolarHBondContact O-N 3.35Å
369Q93.1Very high92.5Very high78 Ų7855.2 Ų55.236%0.36428%0.278SS..  trans-83.8142.1175.5-59.7-17617.800111.3K358 Y359 F366 C367 A374K358-Q369 CarbonylContact C-O 3.59Å; K358-Q369 WeakPolarHBondContact CA-O 3.45Å; Y359-Q369 PolarHBondContact N-O 2.9Å; F366-Q369 VanDerWaalsContact O-CB 3.26Å; F366-Q369 WeakPolarHBondContact O-CB 3.46Å; F366-Q369 WeakPolarHBondContact O-CG 3.38Å; F366-Q369 PolarHBondContact O-N 3.39Å; C367-Q369 VanDerWaalsContact C-N 3.28Å; C367-Q369 PolarHBondContact O-N 3.12Å; Q369-A374 HydrophobicContact CB-CB 4.38Å
370Y92.1Very high92.5Very high47 Ų4761.4 Ų61.418%0.18431%0.305CS..BIsolated β-bridgetrans-67.4138.2173.2-178.8-119.6000110.5T183 G357 K372 D373 A374T183-Y370 HydrophobicContact CG2-CE2 3.92Å; T183-Y370 PolarHBondContact OG1-OH 3.43Å; G357-Y370 WeakPolarHBondContact O-CA 3.26Å; G357-Y370 WeakPolarHBondContact O-CD2 3.29Å; Y370-K372 VanDerWaalsContact C-N 3.34Å; Y370-K372 HydrophobicContact CD1-CB 4.02Å; Y370-K372 HydrophobicContact CE1-CB 3.71Å; Y370-K372 HydrophobicContact CE1-CG 4.13Å; Y370-K372 PolarHBondContact O-N 3.17Å; Y370-D373 PolarHBondContact O-N 2.74Å; Y370-A374 PolarHBondContact O-N 3.32Å
371V93.3Very high92.6Very high0 Ų060.9 Ų60.90%030%0.301CS..Hα-helixtrans-54.1-43-170.8-740000114W228 V353 G357 Y359 A374 D375 I409W228-V371 HydrophobicContact CB-CB 3.97Å; W228-V371 VanDerWaalsContact CB-O 3.31Å; W228-V371 WeakPolarHBondContact CB-O 3.2Å; W228-V371 HydrophobicContact CD2-CB 3.85Å; W228-V371 HydrophobicContact CD2-CG1 4.21Å; W228-V371 HydrophobicContact CD2-CG2 4.35Å; W228-V371 HydrophobicContact CE3-CB 3.83Å; W228-V371 HydrophobicContact CE3-CG1 3.65Å; W228-V371 HydrophobicContact CE3-CG2 4.43Å; W228-V371 HydrophobicContact CG-CB 3.93Å; W228-V371 HydrophobicContact CZ3-CG1 4.24Å; V353-V371 HydrophobicContact CG1-CG1 3.99Å; V353-V371 HydrophobicContact CG2-CG1 3.91Å; G357-V371 WeakPolarHBondContact O-CG1 3.36Å; G357-V371 PolarHBondContact O-N 3.44Å; Y359-V371 HydrophobicContact CE2-CG1 4.24Å; V371-A374 PolarHBondContact O-N 2.97Å; V371-D375 PolarHBondContact O-N 2.99Å; V371-I409 HydrophobicContact CG2-CG2 4.24Å
372K90Very high92.7Very high36 Ų3653 Ų5316%0.15727%0.266CS..Hα-helixtrans-72.7-29.7179-73.9-70.3-167.9172.20112.9D203 Y370 A374 D375D203-K372 IonicContact OD1-NZ 3.93Å; D203-K372 PolarHBondContact OD1-NZ 3.15Å; D203-K372 IonicContact OD2-NZ 2.8Å; Y370-K372 VanDerWaalsContact C-N 3.34Å; Y370-K372 HydrophobicContact CD1-CB 4.02Å; Y370-K372 HydrophobicContact CE1-CB 3.71Å; Y370-K372 HydrophobicContact CE1-CG 4.13Å; Y370-K372 PolarHBondContact O-N 3.17Å; K372-A374 VanDerWaalsContact C-N 3.33Å; K372-D375 PolarHBondContact O-N 3.2Å
373D91.1Very high92.8Very high115 Ų11555.9 Ų55.962%0.61528%0.278SS*.Hα-helixtrans-72.7-33.9175.1-64.4-25.7000110.8Y370 D375Y370-D373 PolarHBondContact O-N 2.74Å; D373-D375 VanDerWaalsContact C-N 3.26Å; D373-D375 PolarHBondContact O-N 2.97Å
374A93.9Very high92.9Very high0 Ų061.6 Ų61.60%030%0.304CS..Hα-helixtrans-68.7-20177.800000113.3Y359 F366 Q369 Y370 V371 K372 K376 A377 I378Y359-A374 HydrophobicContact CD2-CB 4.22Å; Y359-A374 HydrophobicContact CE2-CB 3.58Å; F366-A374 HydrophobicContact CB-CB 4.49Å; Q369-A374 HydrophobicContact CB-CB 4.38Å; Y370-A374 PolarHBondContact O-N 3.32Å; V371-A374 PolarHBondContact O-N 2.97Å; K372-A374 VanDerWaalsContact C-N 3.33Å; A374-K376 VanDerWaalsContact C-N 3.25Å; A374-K376 PolarHBondContact O-N 3.23Å; A374-A377 PolarHBondContact O-N 2.83Å; A374-I378 HydrophobicContact CB-CD1 4.13Å; A374-I378 WeakPolarHBondContact O-CB 3.37Å; A374-I378 VanDerWaalsContact O-CG1 3.29Å; A374-I378 WeakPolarHBondContact O-CG1 3.48Å; A374-I378 PolarHBondContact O-N 3.43Å
375D93.6Very high92.9Very high6 Ų658.4 Ų58.43%0.03229%0.288CS..Hα-helixtrans-52-44.7178.9-79.7-34.4000111.6P204 P227 W228 V371 K372 D373 A377 I378 V379P204-D375 HydrophobicContact CG-CB 4.41Å; P227-D375 HydrophobicContact CB-CB 4.43Å; P227-D375 WeakPolarHBondContact CB-OD1 3.47Å; P227-D375 VanDerWaalsContact CD-OD1 3.29Å; P227-D375 WeakPolarHBondContact CD-OD1 3.15Å; P227-D375 HydrophobicContact CG-CB 4.36Å; W228-D375 WeakPolarHBondContact CB-OD1 3.42Å; W228-D375 PolarHBondContact N-OD1 3.44Å; V371-D375 PolarHBondContact O-N 2.99Å; K372-D375 PolarHBondContact O-N 3.2Å; D373-D375 VanDerWaalsContact C-N 3.26Å; D373-D375 PolarHBondContact O-N 2.97Å; D375-A377 PolarHBondContact O-N 3.32Å; D375-I378 PolarHBondContact O-N 3.22Å; D375-V379 VanDerWaalsContact O-CG2 3.25Å; D375-V379 WeakPolarHBondContact O-CG2 3.4Å; D375-V379 PolarHBondContact O-N 3.38Å
376K92.3Very high93Very high181 Ų18160.5 Ų60.579%0.78730%0.298SS*.Hα-helixtrans-64.3-41.3178.2-68.4178.4-177.6172.30112.1A374 K380A374-K376 VanDerWaalsContact C-N 3.25Å; A374-K376 PolarHBondContact O-N 3.23Å; K376-K380 WeakPolarHBondContact O-CB 3.4Å; K376-K380 PolarHBondContact O-N 2.84Å
377A93.8Very high93Very high33 Ų3361.7 Ų61.727%0.27330%0.302SS..Hα-helixtrans-69.8-39.9-179.700000111.5F366 A374 D375 K380 L381F366-A377 HydrophobicContact CD1-CB 4Å; F366-A377 HydrophobicContact CE1-CB 3.67Å; A374-A377 PolarHBondContact O-N 2.83Å; D375-A377 PolarHBondContact O-N 3.32Å; A377-K380 PolarHBondContact O-N 3.42Å; A377-L381 WeakPolarHBondContact O-CB 3.43Å; A377-L381 PolarHBondContact O-N 3.44Å
378I95.1Very high93.1Very high0 Ų059.9 Ų59.90%029%0.288CS..Hα-helixtrans-62.5-49.5175.6-69.6165.9000110.2P227 W228 L230 P231 F293 Y359 F366 A374 D375 K380 L381 L382P227-I378 HydrophobicContact CB-CG2 4.14Å; W228-I378 HydrophobicContact CB-CD1 4.32Å; L230-I378 HydrophobicContact CD1-CG2 4.49Å; P231-I378 HydrophobicContact CG-CD1 4.1Å; F293-I378 HydrophobicContact CZ-CG2 4.32Å; Y359-I378 HydrophobicContact CE2-CD1 4.47Å; Y359-I378 WeakPolarHBondContact OH-CD1 3.43Å; F366-I378 HydrophobicContact CD1-CG1 4.34Å; F366-I378 HydrophobicContact CD2-CD1 4.47Å; F366-I378 HydrophobicContact CD2-CG1 3.98Å; F366-I378 HydrophobicContact CE1-CG1 3.93Å; F366-I378 HydrophobicContact CE2-CD1 4.42Å; F366-I378 HydrophobicContact CE2-CG1 3.54Å; F366-I378 HydrophobicContact CG-CG1 4.37Å; F366-I378 HydrophobicContact CZ-CB 4.29Å; F366-I378 HydrophobicContact CZ-CG1 3.51Å; A374-I378 HydrophobicContact CB-CD1 4.13Å; A374-I378 WeakPolarHBondContact O-CB 3.37Å; A374-I378 VanDerWaalsContact O-CG1 3.29Å; A374-I378 WeakPolarHBondContact O-CG1 3.48Å; A374-I378 PolarHBondContact O-N 3.43Å; D375-I378 PolarHBondContact O-N 3.22Å; I378-K380 VanDerWaalsContact C-N 3.3Å; I378-K380 PolarHBondContact O-N 2.86Å; I378-L381 PolarHBondContact O-N 3.06Å; I378-L382 HydrophobicContact CG2-CD1 3.94Å; I378-L382 HydrophobicContact CG2-CG 4.36Å; I378-L382 VanDerWaalsContact O-CG 3.29Å; I378-L382 WeakPolarHBondContact O-CG 3.41Å; I378-L382 PolarHBondContact O-N 3.2Å
379V94Very high93.2Very high7 Ų759.2 Ų59.24%0.04228%0.275CS..Hα-helixtrans-62.3-39.4179.3174.60000111.5V206 P227 D375 L382 K383 L388 Q391V206-V379 HydrophobicContact CG1-CG1 4.46Å; V206-V379 HydrophobicContact CG1-CG2 3.87Å; P227-V379 HydrophobicContact CB-CG2 4.03Å; P227-V379 HydrophobicContact CG-CG2 3.98Å; D375-V379 VanDerWaalsContact O-CG2 3.25Å; D375-V379 WeakPolarHBondContact O-CG2 3.4Å; D375-V379 PolarHBondContact O-N 3.38Å; V379-L382 PolarHBondContact O-N 3.22Å; V379-K383 PolarHBondContact O-N 3.31Å; V379-L388 HydrophobicContact CG1-CD1 4.39Å; V379-L388 HydrophobicContact CG1-CD2 3.78Å; V379-Q391 HydrophobicContact CG1-CG 4.35Å
380K94.2Very high93.1Very high134 Ų13459.1 Ų59.158%0.58328%0.275SS*.Hα-helixtrans-59.7-48.3174-173.7-175.2178-163.60111.4K376 A377 I378 L382 K383 E384K376-K380 WeakPolarHBondContact O-CB 3.4Å; K376-K380 PolarHBondContact O-N 2.84Å; A377-K380 PolarHBondContact O-N 3.42Å; I378-K380 VanDerWaalsContact C-N 3.3Å; I378-K380 PolarHBondContact O-N 2.86Å; K380-L382 PolarHBondContact O-N 3Å; K380-K383 WeakPolarHBondContact O-CB 3.35Å; K380-K383 PolarHBondContact O-N 3.02Å; K380-E384 WeakPolarHBondContact CE-OE1 3.29Å; K380-E384 IonicContact NZ-OE1 3.06Å; K380-E384 WeakPolarHBondContact O-CG 3.27Å; K380-E384 PolarHBondContact O-N 3.16Å
381L94.2Very high93.2Very high27 Ų2762.1 Ų62.114%0.14129%0.29CS..Hα-helixtrans-64.4-38.8179.3-174.765.5000112.2F293 F366 A377 I378 K383 E384 R385F293-L381 HydrophobicContact CE1-CD2 3.77Å; F293-L381 HydrophobicContact CZ-CD2 4.48Å; F366-L381 HydrophobicContact CE2-CD2 4.3Å; F366-L381 HydrophobicContact CZ-CB 4.47Å; F366-L381 HydrophobicContact CZ-CD2 3.73Å; A377-L381 WeakPolarHBondContact O-CB 3.43Å; A377-L381 PolarHBondContact O-N 3.44Å; I378-L381 PolarHBondContact O-N 3.06Å; L381-K383 VanDerWaalsContact C-N 3.3Å; L381-K383 PolarHBondContact O-N 3.29Å; L381-E384 PolarHBondContact O-N 2.95Å; L381-R385 WeakPolarHBondContact O-CB 3.32Å; L381-R385 WeakPolarHBondContact O-CG 3.47Å; L381-R385 PolarHBondContact O-N 3.47Å
382L94.5Very high93.1Very high1 Ų164.2 Ų64.21%0.00531%0.305CS..Hα-helixtrans-63.6-36.7174.7-69.7173000112V208 L230 L292 I378 V379 K380 Q386 R387 L388V208-L382 HydrophobicContact CG1-CD1 4.21Å; V208-L382 HydrophobicContact CG1-CD2 4.09Å; V208-L382 HydrophobicContact CG2-CD1 4.16Å; L230-L382 HydrophobicContact CD1-CD1 3.64Å; L292-L382 HydrophobicContact CB-CD2 4.29Å; L292-L382 HydrophobicContact CD1-CD2 4.18Å; L292-L382 HydrophobicContact CD2-CD2 3.92Å; L292-L382 HydrophobicContact CG-CD2 4.34Å; I378-L382 HydrophobicContact CG2-CD1 3.94Å; I378-L382 HydrophobicContact CG2-CG 4.36Å; I378-L382 VanDerWaalsContact O-CG 3.29Å; I378-L382 WeakPolarHBondContact O-CG 3.41Å; I378-L382 PolarHBondContact O-N 3.2Å; V379-L382 PolarHBondContact O-N 3.22Å; K380-L382 PolarHBondContact O-N 3Å; L382-Q386 PolarHBondContact O-N 2.82Å; L382-R387 HydrophobicContact CD2-CB 4.25Å; L382-R387 PolarHBondContact O-N 3.18Å; L382-L388 HydrophobicContact CB-CB 4.26Å; L382-L388 PolarHBondContact O-N 2.9Å
383K93.5Very high93.2Very high145 Ų14567.3 Ų67.363%0.6333%0.327SS*.Hα-helixtrans-66.6-44.5173.6-169.5176.8-179.1175.50111.6V379 K380 L381 R385 Q386 L388V379-K383 PolarHBondContact O-N 3.31Å; K380-K383 WeakPolarHBondContact O-CB 3.35Å; K380-K383 PolarHBondContact O-N 3.02Å; L381-K383 VanDerWaalsContact C-N 3.3Å; L381-K383 PolarHBondContact O-N 3.29Å; K383-R385 VanDerWaalsContact C-N 3.34Å; K383-R385 PolarHBondContact O-N 2.83Å; K383-Q386 WeakPolarHBondContact O-CA 3.47Å; K383-Q386 PolarHBondContact O-N 2.94Å; K383-L388 HydrophobicContact CB-CB 4.38Å; K383-L388 HydrophobicContact CB-CD2 3.93Å; K383-L388 HydrophobicContact CG-CD2 4.36Å
384E93.8Very high93.2Very high120 Ų12064.2 Ų64.256%0.56131%0.312SS*.Hα-helixtrans-61.1-40.7176.1-72170.2-176.100112K380 L381 Q386K380-E384 WeakPolarHBondContact CE-OE1 3.29Å; K380-E384 IonicContact NZ-OE1 3.06Å; K380-E384 WeakPolarHBondContact O-CG 3.27Å; K380-E384 PolarHBondContact O-N 3.16Å; L381-E384 PolarHBondContact O-N 2.95Å; E384-Q386 PolarHBondContact O-N 2.72Å
385R91.9Very high93Very high98 Ų9868.3 Ų68.337%0.3734%0.337SS..THydrogen-bonded Turntrans-752.4173.8-66.8-177.2-178.5179.92.9113.6L292 E365 L381 K383 R387L292-R385 PolarHBondContact O-NH1 3.37Å; E365-R385 IonicContact OE1-NH2 3.9Å; E365-R385 PolarHBondContact OE1-NH2 2.99Å; E365-R385 VanDerWaalsContact OE1-NH2 3.14Å; L381-R385 WeakPolarHBondContact O-CB 3.32Å; L381-R385 WeakPolarHBondContact O-CG 3.47Å; L381-R385 PolarHBondContact O-N 3.47Å; K383-R385 VanDerWaalsContact C-N 3.34Å; K383-R385 PolarHBondContact O-N 2.83Å; R385-R387 HydrophobicContact CB-CG 3.96Å; R385-R387 WeakPolarHBondContact O-CG 3.38Å; R385-R387 PolarHBondContact O-N 3.15Å
386Q91.7Very high92.9Very high126 Ų12670.6 Ų70.659%0.58935%0.348SS*.THydrogen-bonded Turntrans5334.3-175-52.5-176.4-9.700113.8R254 L382 K383 E384R254-Q386 PolarHBondContact NH1-O 3.44Å; L382-Q386 PolarHBondContact O-N 2.82Å; K383-Q386 WeakPolarHBondContact O-CA 3.47Å; K383-Q386 PolarHBondContact O-N 2.94Å; E384-Q386 PolarHBondContact O-N 2.72Å
387R93.9Very high92.8Very high32 Ų3264.9 Ų64.912%0.12133%0.33CS..  trans-101.7-11.7178.3-60.5-59.4-69.2-108.4-23113.7V208 S209 V290 L292 L382 R385V208-R387 CarbonylContact C-O 3.6Å; V208-R387 WeakPolarHBondContact CA-O 3.44Å; V208-R387 HydrophobicContact CG1-CB 4.22Å; V208-R387 VanDerWaalsContact CG1-O 3.23Å; V208-R387 WeakPolarHBondContact CG1-O 3.27Å; S209-R387 PolarHBondContact N-O 3.3Å; S209-R387 PolarHBondContact O-NE 2.9Å; S209-R387 PolarHBondContact O-NH2 3.47Å; S209-R387 WeakPolarHBondContact OG-CA 3.28Å; S209-R387 PolarHBondContact OG-NE 3.09Å; S209-R387 PolarHBondContact OG-O 3.46Å; V290-R387 PolarHBondContact O-NH2 3.48Å; L292-R387 HydrophobicContact CD2-CB 4Å; L292-R387 HydrophobicContact CD2-CG 4.26Å; L382-R387 HydrophobicContact CD2-CB 4.25Å; L382-R387 PolarHBondContact O-N 3.18Å; R385-R387 HydrophobicContact CB-CG 3.96Å; R385-R387 WeakPolarHBondContact O-CG 3.38Å; R385-R387 PolarHBondContact O-N 3.15Å
388L94.2Very high92.6Very high29 Ų2964.4 Ų64.415%0.15232%0.322CS..EExtended strand (participates in β ladder)trans-82.1116.5176.3-172.566.9000110V206 V379 L382 K383 Q391V206-L388 HydrophobicContact CB-CD1 3.97Å; V206-L388 HydrophobicContact CG1-CD1 4.12Å; V379-L388 HydrophobicContact CG1-CD1 4.39Å; V379-L388 HydrophobicContact CG1-CD2 3.78Å; L382-L388 HydrophobicContact CB-CB 4.26Å; L382-L388 PolarHBondContact O-N 2.9Å; K383-L388 HydrophobicContact CB-CB 4.38Å; K383-L388 HydrophobicContact CB-CD2 3.93Å; K383-L388 HydrophobicContact CG-CD2 4.36Å; L388-Q391 HydrophobicContact CD2-CB 4.14Å
389V92.8Very high92.3Very high29 Ų2964.8 Ų64.818%0.17632%0.324CS..EExtended strand (participates in β ladder)trans-88.2-48.4179.8177.80000110.7M207 V221 Y256 L266M207-V389 HydrophobicContact CB-CB 4.2Å; M207-V389 PolarHBondContact O-N 3.43Å; V221-V389 HydrophobicContact CG1-CB 4.45Å; V221-V389 HydrophobicContact CG1-CG1 4.45Å; V221-V389 HydrophobicContact CG1-CG2 4.31Å; V221-V389 HydrophobicContact CG2-CG2 4.41Å; Y256-V389 HydrophobicContact CE1-CG1 4.46Å; Y256-V389 HydrophobicContact CE1-CG2 3.87Å; Y256-V389 HydrophobicContact CE2-CG1 4Å; L266-V389 HydrophobicContact CD1-CG1 3.97Å; L266-V389 HydrophobicContact CD2-CG1 4.07Å
390H92.2Very high92Very high76 Ų7665.7 Ų65.735%0.35233%0.328SS..EExtended strand (participates in β ladder)trans-145.1143.6-179.8-172.777.2000110.2V206 M207 L266V206-H390 WeakPolarHBondContact CA-O 3.27Å; M207-H390 HydrophobicContact CB-CB 4.01Å; M207-H390 HydrophobicContact CE-CB 4.31Å; M207-H390 HydrophobicContact CG-CB 4.04Å; M207-H390 PolarHBondContact N-O 2.95Å; M207-H390 PolarHBondContact O-N 3.26Å; M207-H390 HydrophobicContact SD-CB 4.16Å; L266-H390 HydrophobicContact CD1-CB 3.91Å
391Q92.4Very high91.1Very high110 Ų11059.4 Ų59.451%0.51430%0.301SS..EExtended strand (participates in β ladder)trans-131.9121.6177.1-179.4-176.60.600109.5V206 V379 L388V206-Q391 HydrophobicContact CG1-CG 4.28Å; V379-Q391 HydrophobicContact CG1-CG 4.35Å; L388-Q391 HydrophobicContact CD2-CB 4.14Å
392S92.5Very high89.8Confident43 Ų4362 Ų6230%0.30131%0.309SS..EExtended strand (participates in β ladder)trans-140.4-171.9174.662.50000110.4S205S205-S392 WeakPolarHBondContact CB-OG 3.3Å; S205-S392 PolarHBondContact N-O 2.75Å; S205-S392 CarbonylContact O-C 3.56Å; S205-S392 PolarHBondContact O-N 3.24Å; S205-S392 PolarHBondContact O-OG 2.91Å; S205-S392 PolarHBondContact OG-OG 3.31Å
393T91.8Very high88.3Confident101 Ų10164 Ų6462%0.6232%0.316SS*.EExtended strand (participates in β ladder)trans-127.8151.7171.654.20000108.6T202 D203T202-T393 HydrophobicContact CG2-CG2 4.34Å; D203-T393 WeakPolarHBondContact O-CA 3.45Å
394T90.6Very high87.3Confident51 Ų5159.1 Ų59.131%0.31330%0.3SS..EExtended strand (participates in β ladder)trans-135.2141.9176.5-164.50000110T202 D203 T225T202-T394 WeakPolarHBondContact CA-O 3.31Å; D203-T394 PolarHBondContact N-O 2.88Å; D203-T394 PolarHBondContact O-N 3.42Å; T225-T394 HydrophobicContact CG2-CG2 3.76Å
395T90.6Very high86.5Confident85 Ų8557.7 Ų57.752%0.52130%0.296SS..EExtended strand (participates in β ladder)trans-101.9124.8176.1-59.80000108.8E200 V201 T202E200-T395 HydrophobicContact CB-CG2 4.44Å; V201-T395 VanDerWaalsContact O-CA 3.3Å; V201-T395 WeakPolarHBondContact O-CA 3.47Å; T202-T395 PolarHBondContact OG1-OG1 3.31Å
396H89.8Confident86Confident54 Ų5454.8 Ų54.825%0.2529%0.29CS..EExtended strand (participates in β ladder)trans-150.2164.5-179.666.9173.3000111.9E200 V201 D203 Y398E200-H396 WeakPolarHBondContact CA-O 3.41Å; E200-H396 WeakPolarHBondContact OE2-CA 3.41Å; V201-H396 PolarHBondContact N-O 3.03Å; V201-H396 PolarHBondContact O-N 3.29Å; D203-H396 IonicContact OD2-CD2 3.46Å; D203-H396 IonicContact OD2-CE1 2.67Å; D203-H396 IonicContact OD2-NE2 2.86Å; D203-H396 PolarHBondContact OD2-NE2 3.3Å; H396-Y398 AromaticContact NE2-CD2 3.86Å; H396-Y398 PolarHBondContact O-N 3.1Å
397S90.2Very high85.9Confident61 Ų6150.2 Ų50.243%0.42727%0.271SS..EExtended strand (participates in β ladder)trans-77122.1174.5-156.90000110.9E200E200-S397 WeakPolarHBondContact OE1-CB 3.31Å
398Y90.1Very high85.7Confident23 Ų2348.7 Ų48.79%0.0927%0.265CS..EExtended strand (participates in β ladder)trans-125.5143.9-177.4-165.1-88000111.3K199 V201 H396 F400 P407 L408K199-Y398 PolarHBondContact N-O 3Å; K199-Y398 PolarHBondContact O-N 3.46Å; V201-Y398 HydrophobicContact CG2-CG 4.06Å; H396-Y398 AromaticContact NE2-CD2 3.86Å; H396-Y398 PolarHBondContact O-N 3.1Å; Y398-F400 HydrophobicContact CD1-CD2 4.31Å; Y398-F400 HydrophobicContact CD1-CE2 4.06Å; Y398-F400 WeakPolarHBondContact O-CD2 3.44Å; Y398-P407 HydrophobicContact CD1-CB 4.18Å; Y398-P407 HydrophobicContact CE1-CB 3.87Å; Y398-L408 WeakPolarHBondContact CE1-O 3.41Å; Y398-L408 VanDerWaalsContact CZ-O 3.3Å; Y398-L408 PolarHBondContact OH-O 2.9Å
399P90.2Very high85.7Confident8 Ų847.3 Ų47.35%0.05226%0.258CS..EExtended strand (participates in β ladder)trans-76.4127.5-178.129.9-35.4000112.2Y198 L408 Y410Y198-P399 HydrophobicContact CD1-CB 4.43Å; Y198-P399 HydrophobicContact CE1-CB 3.93Å; Y198-P399 HydrophobicContact CE1-CG 4.32Å; Y198-P399 HydrophobicContact CE2-CB 4.22Å; P399-L408 HydrophobicContact CB-CD1 4.29Å; P399-L408 PolarHBondContact O-N 3.2Å; P399-Y410 HydrophobicContact CG-CE2 4.45Å
400F86.6Confident85.6Confident26 Ų2650 Ų5011%0.11427%0.266CS..BIsolated β-bridgetrans-108.7152.5173.3-80.9-121.1000110.7N197 K199 V201 Y398 W402 D405 P407N197-F400 HydrophobicContact CB-CB 4.48Å; N197-F400 WeakPolarHBondContact O-CA 3.37Å; N197-F400 WeakPolarHBondContact O-CB 3.35Å; N197-F400 PolarHBondContact O-N 3.36Å; K199-F400 HydrophobicContact CB-CD2 4.02Å; K199-F400 HydrophobicContact CB-CE2 4.2Å; K199-F400 HydrophobicContact CD-CB 4.41Å; K199-F400 HydrophobicContact CD-CD1 4.04Å; K199-F400 HydrophobicContact CD-CD2 4.31Å; K199-F400 HydrophobicContact CD-CE1 4.43Å; K199-F400 HydrophobicContact CD-CG 3.99Å; K199-F400 HydrophobicContact CG-CD2 4.26Å; K199-F400 HydrophobicContact CG-CG 4.29Å; V201-F400 HydrophobicContact CG1-CE2 3.36Å; V201-F400 HydrophobicContact CG1-CZ 3.49Å; V201-F400 VanDerWaalsContact CG1-CZ 3.49Å; Y398-F400 HydrophobicContact CD1-CD2 4.31Å; Y398-F400 HydrophobicContact CD1-CE2 4.06Å; Y398-F400 WeakPolarHBondContact O-CD2 3.44Å; F400-W402 PolarHBondContact O-N 3.44Å; F400-D405 VanDerWaalsContact CD1-O 3.26Å; F400-D405 WeakPolarHBondContact CD1-O 3.41Å; F400-P407 HydrophobicContact CE1-CB 4.25Å; F400-P407 HydrophobicContact CE2-CB 4.18Å; F400-P407 HydrophobicContact CZ-CB 3.99Å
401C75.7Confident85.6Confident3 Ų347.4 Ų47.42%0.0225%0.253CS..  trans-62.7121.2169.7-179.90000108.1S182 N197 R403 S404 D405 T406 L408S182-C401 PolarHBondContact OG-SG 3.16Å; N197-C401 PolarHBondContact ND2-O 2.74Å; N197-C401 VanDerWaalsContact ND2-O 3.15Å; C401-R403 PolarHBondContact O-N 3.07Å; C401-R403 PolarHBondContact SG-N 2.81Å; C401-S404 WeakPolarHBondContact CB-OG 3.48Å; C401-S404 PolarHBondContact SG-N 3.22Å; C401-S404 PolarHBondContact SG-OG 2.97Å; C401-D405 WeakPolarHBondContact O-CA 3.35Å; C401-D405 PolarHBondContact O-N 3.06Å; C401-T406 WeakPolarHBondContact CB-O 3.42Å; C401-T406 PolarHBondContact N-O 3.07Å; C401-L408 HydrophobicContact CB-CD2 3.79Å; C401-L408 HydrophobicContact CB-CG 4.45Å
402W66.7Low85.5Confident80 Ų8042.6 Ų42.630%0.30323%0.232SC..THydrogen-bonded Turntrans-64.9-17.3178.474.5-90.9000113.4Y94 E193 Q196 N197 F400Y94-W402 HydrophobicContact CE2-CZ2 4.46Å; E193-W402 PolarHBondContact OE1-NE1 2.97Å; Q196-W402 HydrophobicContact CB-CB 4.07Å; N197-W402 HydrophobicContact CB-CB 3.95Å; F400-W402 PolarHBondContact O-N 3.44Å
403R62.8Low85.2Confident44 Ų4441.3 Ų41.317%0.16622%0.223CC..THydrogen-bonded Turntrans-94.9-43.8-178-51.1-173.6-168.7-153.7-2.7113.4D97 K103 E193 C401D97-R403 IonicContact OD2-CZ 2.99Å; D97-R403 IonicContact OD2-NH1 3.92Å; D97-R403 PolarHBondContact OD2-NH1 3.1Å; D97-R403 VanDerWaalsContact OD2-NH1 3.08Å; D97-R403 IonicContact OD2-NH2 3.21Å; D97-R403 PolarHBondContact OD2-NH2 2.99Å; D97-R403 VanDerWaalsContact OD2-NH2 3.08Å; K103-R403 WeakPolarHBondContact O-CB 3.48Å; K103-R403 WeakPolarHBondContact O-CD 3.49Å; E193-R403 IonicContact OE1-CZ 3.66Å; E193-R403 IonicContact OE1-NE 2.84Å; E193-R403 IonicContact OE1-NH2 2.75Å; E193-R403 PolarHBondContact OE1-NH2 3.02Å; C401-R403 PolarHBondContact O-N 3.07Å; C401-R403 PolarHBondContact SG-N 2.81Å
404S71.9Confident84.9Confident42 Ų4242.7 Ų42.729%0.29422%0.216SC..THydrogen-bonded Turntrans-106.3-7.6-173.258.70000114.1C401 T406C401-S404 WeakPolarHBondContact CB-OG 3.48Å; C401-S404 PolarHBondContact SG-N 3.22Å; C401-S404 PolarHBondContact SG-OG 2.97Å; S404-T406 PolarHBondContact O-N 2.87Å; S404-T406 VanDerWaalsContact O-N 3.11Å; S404-T406 PolarHBondContact OG-OG1 3Å
405D77Confident84.9Confident90 Ų9040.7 Ų40.748%0.48121%0.205SC..  trans53.927.7-173.5-78.6-47.1000113.9N197 K199 F400 C401N197-D405 PolarHBondContact ND2-OD1 2.83Å; K199-D405 WeakPolarHBondContact CE-OD1 3.38Å; K199-D405 VanDerWaalsContact NZ-CG 3.31Å; K199-D405 IonicContact NZ-OD1 3.14Å; K199-D405 PolarHBondContact NZ-OD1 2.61Å; F400-D405 VanDerWaalsContact CD1-O 3.26Å; F400-D405 WeakPolarHBondContact CD1-O 3.41Å; C401-D405 WeakPolarHBondContact O-CA 3.35Å; C401-D405 PolarHBondContact O-N 3.06Å
406T81.7Confident84.9Confident38 Ų3837 Ų3723%0.23318%0.181CC..PPolyproline II helixtrans-99146.317257.60000110.9A184 C401 S404 L408A184-T406 HydrophobicContact CB-CG2 3.79Å; A184-T406 WeakPolarHBondContact CB-OG1 3.46Å; C401-T406 WeakPolarHBondContact CB-O 3.42Å; C401-T406 PolarHBondContact N-O 3.07Å; S404-T406 PolarHBondContact O-N 2.87Å; S404-T406 VanDerWaalsContact O-N 3.11Å; S404-T406 PolarHBondContact OG-OG1 3Å; T406-L408 PolarHBondContact O-N 3.29Å
407P89.2Confident85.1Confident29 Ų2935.2 Ų35.219%0.18817%0.172CC..BIsolated β-bridgetrans-60.3134.3177.723.7-32.4000110.7Y398 F400Y398-P407 HydrophobicContact CD1-CB 4.18Å; Y398-P407 HydrophobicContact CE1-CB 3.87Å; F400-P407 HydrophobicContact CE1-CB 4.25Å; F400-P407 HydrophobicContact CE2-CB 4.18Å; F400-P407 HydrophobicContact CZ-CB 3.99Å
408L91.2Very high85.2Confident0 Ų032.3 Ų32.30%015%0.152CC..PPolyproline II helixtrans-76.1150173.4-65.2177.5000110P180 V189 Y398 P399 C401 T406P180-L408 HydrophobicContact CB-CD1 4.13Å; V189-L408 HydrophobicContact CG2-CD2 3.96Å; Y398-L408 WeakPolarHBondContact CE1-O 3.41Å; Y398-L408 VanDerWaalsContact CZ-O 3.3Å; Y398-L408 PolarHBondContact OH-O 2.9Å; P399-L408 HydrophobicContact CB-CD1 4.29Å; P399-L408 PolarHBondContact O-N 3.2Å; C401-L408 HydrophobicContact CB-CD2 3.79Å; C401-L408 HydrophobicContact CB-CG 4.45Å; T406-L408 PolarHBondContact O-N 3.29Å
409I93Very high85.3Confident1 Ų134.5 Ų34.51%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-114.9147.216763.6175.2000108.9P180 F181 T183 W228 V353 V371 K411P180-I409 CarbonylContact C-O 3.39Å; F181-I409 WeakPolarHBondContact CA-O 3.35Å; F181-I409 HydrophobicContact CB-CG1 4.18Å; F181-I409 WeakPolarHBondContact CB-O 3.38Å; F181-I409 PolarHBondContact N-O 3.46Å; F181-I409 PolarHBondContact O-N 3.45Å; T183-I409 HydrophobicContact CG2-CD1 3.63Å; T183-I409 HydrophobicContact CG2-CG1 3.91Å; W228-I409 HydrophobicContact CH2-CB 4.05Å; W228-I409 HydrophobicContact CH2-CG2 4.31Å; W228-I409 HydrophobicContact CZ2-CB 4.06Å; W228-I409 HydrophobicContact CZ2-CG2 3.97Å; V353-I409 HydrophobicContact CG1-CD1 4.44Å; V371-I409 HydrophobicContact CG2-CG2 4.24Å; I409-K411 HydrophobicContact CD1-CB 4.49Å; I409-K411 HydrophobicContact CG1-CB 4.44Å
410Y92.4Very high85.4Confident86 Ų8634.1 Ų34.134%0.33716%0.158SC..EExtended strand (participates in β ladder)trans-82.7127.3165.7-76.6-93.4000108.1V178 M179 P180 F329 P399V178-Y410 HydrophobicContact CG1-CD1 4.34Å; M179-Y410 WeakPolarHBondContact O-CA 3.4Å; P180-Y410 HydrophobicContact CB-CE1 4.42Å; P180-Y410 HydrophobicContact CG-CD1 4.35Å; P180-Y410 HydrophobicContact CG-CE1 3.69Å; F329-Y410 WeakPolarHBondContact CA-O 3.49Å; F329-Y410 WeakPolarHBondContact CD1-O 3.33Å; F329-Y410 WeakPolarHBondContact O-CB 3.32Å; P399-Y410 HydrophobicContact CG-CE2 4.45Å
411K90.7Very high85.7Confident21 Ų2137 Ų379%0.09117%0.172CC..EExtended strand (participates in β ladder)trans-143.1141.6-176-174.4-176176.7-173.90109.9M179 F181 Y328 F329 C351 V353 D354 I409 V413M179-K411 PolarHBondContact N-O 3.24Å; M179-K411 PolarHBondContact O-N 3.09Å; F181-K411 HydrophobicContact CB-CB 4.03Å; F181-K411 HydrophobicContact CD2-CD 4.48Å; F181-K411 HydrophobicContact CG-CB 4.42Å; F181-K411 HydrophobicContact CG-CD 4.36Å; Y328-K411 CarbonylContact O-C 3.53Å; F329-K411 HydrophobicContact CE1-CG 4.33Å; C351-K411 WeakPolarHBondContact SG-CE 3.41Å; V353-K411 WeakPolarHBondContact O-CE 3.41Å; V353-K411 PolarHBondContact O-NZ 3.38Å; D354-K411 PolarHBondContact O-NZ 3.36Å; I409-K411 HydrophobicContact CD1-CB 4.49Å; I409-K411 HydrophobicContact CG1-CB 4.44Å; K411-V413 PolarHBondContact O-N 3.2Å
412A90.5Very high86.5Confident8 Ų840.8 Ų40.87%0.06620%0.197CC..EExtended strand (participates in β ladder)trans-65.8114.3169.400000110.3V176 Y328V176-A412 HydrophobicContact CB-CB 4.03Å; V176-A412 HydrophobicContact CG1-CB 4.33Å; V176-A412 HydrophobicContact CG2-CB 4.2Å; Y328-A412 HydrophobicContact CD1-CB 3.54Å; Y328-A412 HydrophobicContact CG-CB 4.06Å; Y328-A412 WeakPolarHBondContact O-CB 3.4Å; Y328-A412 PolarHBondContact O-N 3.25Å
413V86.4Confident87.8Confident17 Ų1737.9 Ų37.910%0.10319%0.187CC..EExtended strand (participates in β ladder)trans-104.2133.1174.2-174.90000108V176 K177 M179 F181 P188 K411 S415V176-V413 WeakPolarHBondContact CA-O 3.4Å; K177-V413 PolarHBondContact N-O 2.77Å; K177-V413 PolarHBondContact O-N 3.23Å; M179-V413 HydrophobicContact CE-CB 4.22Å; M179-V413 HydrophobicContact CE-CG2 4.32Å; F181-V413 HydrophobicContact CD2-CG2 3.82Å; F181-V413 HydrophobicContact CE2-CG2 4.32Å; P188-V413 HydrophobicContact CB-CG2 4.23Å; P188-V413 HydrophobicContact CG-CG1 4.29Å; K411-V413 PolarHBondContact O-N 3.2Å; V413-S415 PolarHBondContact O-N 3.35Å
414R86.2Confident89.3Confident130 Ų13036.8 Ų36.849%0.49119%0.186SC..EExtended strand (participates in β ladder)trans-60.5131.4174-70.4-178.3177.1174.1-1.2109G175 V176G175-R414 WeakPolarHBondContact O-CA 3.43Å; V176-R414 HydrophobicContact CG1-CG 4.42Å
415S89.2Confident90.5Very high9 Ų941.1 Ų41.16%0.06320%0.201CC..EExtended strand (participates in β ladder)trans-144.2154.9178.5-173.30000110.4G175 V413 F417 S459G175-S415 PolarHBondContact N-O 3.01Å; G175-S415 PolarHBondContact O-N 3.05Å; G175-S415 VanDerWaalsContact O-O 3.1Å; V413-S415 PolarHBondContact O-N 3.35Å; S415-F417 WeakPolarHBondContact O-CD2 3.37Å; S415-S459 VanDerWaalsContact CA-OG 3.24Å; S415-S459 WeakPolarHBondContact CA-OG 3.47Å; S415-S459 WeakPolarHBondContact CB-OG 3.31Å; S415-S459 PolarHBondContact OG-OG 3Å
416W92.2Very high91.4Very high8 Ų841.1 Ų41.13%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-93.4134.7171.2-6688.3000109.4V172 R174 I458 S459 L470 I479 I521V172-W416 HydrophobicContact CG1-CE3 3.86Å; V172-W416 HydrophobicContact CG1-CZ3 4.36Å; R174-W416 HydrophobicContact CB-CD2 4.27Å; R174-W416 HydrophobicContact CB-CE3 4.01Å; R174-W416 HydrophobicContact CB-CH2 3.97Å; R174-W416 HydrophobicContact CB-CZ2 4.22Å; R174-W416 HydrophobicContact CB-CZ3 3.87Å; R174-W416 HydrophobicContact CG-CD2 4.38Å; R174-W416 HydrophobicContact CG-CH2 4.47Å; R174-W416 HydrophobicContact CG-CZ2 4.22Å; W416-I458 HydrophobicContact CB-CD1 4.31Å; W416-I458 HydrophobicContact CB-CG1 4.14Å; W416-I458 WeakPolarHBondContact O-CG1 3.24Å; W416-I458 PolarHBondContact O-N 3.05Å; W416-S459 PolarHBondContact N-OG 3.47Å; W416-L470 HydrophobicContact CD2-CD1 3.75Å; W416-L470 HydrophobicContact CE3-CD1 3.72Å; W416-L470 HydrophobicContact CH2-CD1 3.43Å; W416-L470 VanDerWaalsContact CH2-CD1 3.43Å; W416-L470 HydrophobicContact CZ2-CD1 3.47Å; W416-L470 VanDerWaalsContact CZ2-CD1 3.47Å; W416-L470 HydrophobicContact CZ3-CD1 3.56Å; W416-I479 HydrophobicContact CH2-CD1 4.13Å; W416-I521 HydrophobicContact CZ2-CD1 4.32Å
417F92.9Very high92.1Very high15 Ų1539.3 Ų39.37%0.06619%0.19CC..EExtended strand (participates in β ladder)trans-123.2148.9-175.5-68.5-98.1000110.9V172 Y173 V176 K177 S415 D455 W456 A457V172-F417 WeakPolarHBondContact CA-O 3.13Å; Y173-F417 HydrophobicContact CD1-CB 3.92Å; Y173-F417 HydrophobicContact CE1-CB 3.36Å; Y173-F417 HydrophobicContact CE1-CG 4.26Å; Y173-F417 HydrophobicContact CE2-CB 4.04Å; Y173-F417 HydrophobicContact CE2-CD2 4.1Å; Y173-F417 HydrophobicContact CE2-CG 4.24Å; Y173-F417 HydrophobicContact CG-CB 4.49Å; Y173-F417 AromaticContact CZ-CG 3.8Å; Y173-F417 PolarHBondContact N-O 3.47Å; Y173-F417 PolarHBondContact O-N 3.15Å; V176-F417 WeakPolarHBondContact O-CZ 3.21Å; K177-F417 HydrophobicContact CB-CZ 3.96Å; S415-F417 WeakPolarHBondContact O-CD2 3.37Å; F417-D455 HydrophobicContact CD1-CB 4.29Å; F417-W456 CarbonylContact C-O 3.54Å; F417-W456 VanDerWaalsContact CA-O 3.24Å; F417-W456 WeakPolarHBondContact CA-O 3.37Å; F417-A457 HydrophobicContact CD1-CB 3.93Å; F417-A457 HydrophobicContact CE1-CB 3.63Å; F417-A457 HydrophobicContact CZ-CB 4.19Å
418I92.8Very high92.5Very high1 Ų138.7 Ų38.71%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-100.7130.5163.3-64.3171.4000108L166 L171 V420 D455 W456 I458 F529L166-I418 HydrophobicContact CD1-CD1 3.8Å; L166-I418 HydrophobicContact CD1-CG1 4.45Å; L171-I418 CarbonylContact O-C 3.57Å; L171-I418 WeakPolarHBondContact O-CA 3.36Å; I418-V420 HydrophobicContact CG2-CG2 4.24Å; I418-V420 PolarHBondContact O-N 2.92Å; I418-V420 VanDerWaalsContact O-N 3.16Å; I418-D455 CarbonylContact O-C 3.58Å; I418-D455 WeakPolarHBondContact O-CA 3.32Å; I418-D455 WeakPolarHBondContact O-CB 3.37Å; I418-W456 HydrophobicContact CD1-CE3 4.02Å; I418-W456 HydrophobicContact CD1-CZ3 4.31Å; I418-W456 PolarHBondContact N-O 3.35Å; I418-W456 PolarHBondContact O-N 3.4Å; I418-I458 HydrophobicContact CD1-CD1 4.2Å; I418-I458 HydrophobicContact CD1-CG2 3.51Å; I418-I458 HydrophobicContact CG1-CD1 4Å; I418-I458 HydrophobicContact CG1-CG1 4.31Å; I418-I458 HydrophobicContact CG1-CG2 3.92Å; I418-F529 HydrophobicContact CD1-CD2 3.74Å; I418-F529 HydrophobicContact CD1-CE2 3.37Å
419R93.1Very high92.8Very high68 Ų6842.2 Ų42.226%0.25720%0.202SC..  trans-68.9106.8173.1-61.8-174.2-158.9-90.75109.3G170 L171 Y173 E346 D455G170-R419 PolarHBondContact O-NE 2.9Å; L171-R419 HydrophobicContact CD2-CB 4.24Å; L171-R419 PolarHBondContact O-N 3.19Å; Y173-R419 HydrophobicContact CD1-CG 3.6Å; Y173-R419 HydrophobicContact CE1-CG 3.73Å; E346-R419 IonicContact OE1-CZ 3.82Å; E346-R419 VanDerWaalsContact OE1-CZ 3.29Å; E346-R419 IonicContact OE1-NH1 3.9Å; E346-R419 PolarHBondContact OE1-NH1 2.91Å; E346-R419 IonicContact OE1-NH2 2.68Å; E346-R419 PolarHBondContact OE1-NH2 2.97Å; R419-D455 VanDerWaalsContact CA-OD1 3.29Å; R419-D455 WeakPolarHBondContact CA-OD1 3.24Å
420V92.1Very high93Very high0 Ų042.4 Ų42.40%020%0.203CC..  trans-106.7-30.3178.3-178.40000110.4I418 C422 L423 V424 L427 A453 D455 W456 Y570 V574I418-V420 HydrophobicContact CG2-CG2 4.24Å; I418-V420 PolarHBondContact O-N 2.92Å; I418-V420 VanDerWaalsContact O-N 3.16Å; V420-C422 PolarHBondContact O-N 3.3Å; V420-L423 WeakPolarHBondContact O-CA 3.24Å; V420-L423 WeakPolarHBondContact O-CB 3.22Å; V420-L423 PolarHBondContact O-N 2.93Å; V420-V424 PolarHBondContact O-N 2.98Å; V420-L427 HydrophobicContact CG1-CD1 3.7Å; V420-A453 HydrophobicContact CG1-CB 4.12Å; V420-D455 PolarHBondContact N-OD1 3.03Å; V420-W456 HydrophobicContact CG2-CB 3.93Å; V420-Y570 HydrophobicContact CG1-CE2 4.46Å; V420-V574 HydrophobicContact CG1-CG2 4.22Å; V420-V574 HydrophobicContact CG2-CG1 4.02Å
421E91Very high93.2Very high88 Ų8838.5 Ų38.541%0.41119%0.188SC..G310 helixtrans-55.9-40.3-179.1-70.5167.6-159.300111.8K345 L423 V424 D455K345-E421 IonicContact NZ-OE1 3.7Å; K345-E421 PolarHBondContact NZ-OE1 3.21Å; K345-E421 IonicContact NZ-OE2 2.91Å; K345-E421 PolarHBondContact NZ-OE2 3.01Å; E421-L423 PolarHBondContact O-N 3.09Å; E421-V424 WeakPolarHBondContact O-CG2 3.46Å; E421-V424 PolarHBondContact O-N 3.26Å; E421-D455 WeakPolarHBondContact CG-OD1 3.45Å; E421-D455 PolarHBondContact N-OD1 3.22Å; E421-D455 VanDerWaalsContact N-OD1 3.15Å; E421-D455 PolarHBondContact OE1-N 3.41Å
422C93Very high93.5Very high82 Ų8244.4 Ų44.455%0.55421%0.209SC*.G310 helixtrans-72.5-11.4177.163.90000114.2V420V420-C422 PolarHBondContact O-N 3.3Å
423L94Very high93.8Very high18 Ų1849.8 Ų49.89%0.09423%0.231CC..G310 helixtrans-101.7-5-179.4-61.5177.1000113L171 V420 E421 E425 N426 L427 A578L171-L423 HydrophobicContact CD1-CD1 4.39Å; V420-L423 WeakPolarHBondContact O-CA 3.24Å; V420-L423 WeakPolarHBondContact O-CB 3.22Å; V420-L423 PolarHBondContact O-N 2.93Å; E421-L423 PolarHBondContact O-N 3.09Å; L423-E425 VanDerWaalsContact C-N 3.31Å; L423-E425 PolarHBondContact O-N 2.81Å; L423-N426 WeakPolarHBondContact O-CA 3.48Å; L423-N426 WeakPolarHBondContact O-CB 3.47Å; L423-N426 PolarHBondContact O-N 2.91Å; L423-L427 HydrophobicContact CB-CD1 4.32Å; L423-L427 HydrophobicContact CB-CG 4.3Å; L423-L427 WeakPolarHBondContact O-CG 3.44Å; L423-L427 PolarHBondContact O-N 2.82Å; L423-A578 HydrophobicContact CD1-CB 3.8Å
424V95.4Very high94.3Very high21 Ų2149.2 Ų49.213%0.12723%0.228CC..Hα-helixtrans-50.8-47-173.1169.80000112.7V420 E421 N426 L427 L428 L450 A453V420-V424 PolarHBondContact O-N 2.98Å; E421-V424 WeakPolarHBondContact O-CG2 3.46Å; E421-V424 PolarHBondContact O-N 3.26Å; V424-N426 PolarHBondContact O-N 3.17Å; V424-L427 WeakPolarHBondContact O-CB 3.26Å; V424-L427 PolarHBondContact O-N 3.01Å; V424-L428 HydrophobicContact CG1-CD1 3.97Å; V424-L428 HydrophobicContact CG1-CG 4.46Å; V424-L428 WeakPolarHBondContact O-CG 3.42Å; V424-L428 PolarHBondContact O-N 3Å; V424-L450 WeakPolarHBondContact CG1-O 3.31Å; V424-A453 HydrophobicContact CG2-CB 4.35Å
425E96.5Very high94.8Very high134 Ų13446.9 Ų46.963%0.62622%0.22SC*.Hα-helixtrans-61.3-43.7177.8-70.7-59.5152.700112.5L423 L427 L428 E429L423-E425 VanDerWaalsContact C-N 3.31Å; L423-E425 PolarHBondContact O-N 2.81Å; E425-L427 VanDerWaalsContact C-N 3.33Å; E425-L427 PolarHBondContact O-N 3.4Å; E425-L428 PolarHBondContact O-N 3.44Å; E425-E429 WeakPolarHBondContact O-CB 3.5Å; E425-E429 PolarHBondContact O-N 3.44Å
426N96.9Very high95.1Very high90 Ų9046.5 Ų46.548%0.48122%0.217SC..Hα-helixtrans-66.1-36.4177.3-65.3-27000111.8L423 V424 E429 N430 T577L423-N426 WeakPolarHBondContact O-CA 3.48Å; L423-N426 WeakPolarHBondContact O-CB 3.47Å; L423-N426 PolarHBondContact O-N 2.91Å; V424-N426 PolarHBondContact O-N 3.17Å; N426-E429 PolarHBondContact O-N 3.15Å; N426-N430 WeakPolarHBondContact O-CB 3.44Å; N426-N430 PolarHBondContact O-N 2.87Å; N426-T577 HydrophobicContact CB-CG2 3.62Å
427L96.5Very high95.3Very high0 Ų046.3 Ų46.30%022%0.216CC..Hα-helixtrans-65.7-44.9176.3-65.5170.7000111V420 L423 V424 E425 E429 N430 N431 L450 L573 V574 T577V420-L427 HydrophobicContact CG1-CD1 3.7Å; L423-L427 HydrophobicContact CB-CD1 4.32Å; L423-L427 HydrophobicContact CB-CG 4.3Å; L423-L427 WeakPolarHBondContact O-CG 3.44Å; L423-L427 PolarHBondContact O-N 2.82Å; V424-L427 WeakPolarHBondContact O-CB 3.26Å; V424-L427 PolarHBondContact O-N 3.01Å; E425-L427 VanDerWaalsContact C-N 3.33Å; E425-L427 PolarHBondContact O-N 3.4Å; L427-E429 VanDerWaalsContact C-N 3.34Å; L427-N430 PolarHBondContact O-N 2.86Å; L427-N431 VanDerWaalsContact O-CB 3.23Å; L427-N431 WeakPolarHBondContact O-CB 3.42Å; L427-N431 PolarHBondContact O-N 2.77Å; L427-L450 HydrophobicContact CB-CD1 4.49Å; L427-L450 HydrophobicContact CB-CD2 4.44Å; L427-L450 HydrophobicContact CD1-CD2 4.45Å; L427-L573 HydrophobicContact CD2-CD2 4.44Å; L427-L573 HydrophobicContact CD2-CG 3.99Å; L427-V574 HydrophobicContact CD1-CG2 4.12Å; L427-V574 HydrophobicContact CD2-CB 4.48Å; L427-V574 HydrophobicContact CD2-CG2 4.04Å; L427-T577 HydrophobicContact CD2-CG2 3.97Å; L427-T577 HydrophobicContact CG-CG2 4.47Å
428L96.8Very high95.3Very high16 Ų1646.4 Ų46.48%0.08422%0.219CC..Hα-helixtrans-62.4-43.5176.5-69.2170000111V424 E425 N431 R432 A447 L450 R451V424-L428 HydrophobicContact CG1-CD1 3.97Å; V424-L428 HydrophobicContact CG1-CG 4.46Å; V424-L428 WeakPolarHBondContact O-CG 3.42Å; V424-L428 PolarHBondContact O-N 3Å; E425-L428 PolarHBondContact O-N 3.44Å; L428-N431 PolarHBondContact O-N 3.06Å; L428-R432 WeakPolarHBondContact O-CG 3.48Å; L428-R432 PolarHBondContact O-N 2.7Å; L428-A447 HydrophobicContact CD2-CB 4.17Å; L428-L450 HydrophobicContact CD2-CB 3.9Å; L428-L450 HydrophobicContact CD2-CD1 4.44Å; L428-R451 HydrophobicContact CD1-CG 3.81Å; L428-R451 HydrophobicContact CD2-CG 4.08Å
429E97.1Very high95.3Very high73 Ų7350.3 Ų50.334%0.34124%0.24SC..Hα-helixtrans-64.7-45177.9-179.454-155.100112.3E425 N426 L427 N431 R432 K433E425-E429 WeakPolarHBondContact O-CB 3.5Å; E425-E429 PolarHBondContact O-N 3.44Å; N426-E429 PolarHBondContact O-N 3.15Å; L427-E429 VanDerWaalsContact C-N 3.34Å; E429-N431 VanDerWaalsContact C-N 3.34Å; E429-N431 PolarHBondContact O-N 3.49Å; E429-R432 WeakPolarHBondContact O-CB 3.45Å; E429-R432 PolarHBondContact O-N 2.92Å; E429-R432 IonicContact OE2-CZ 2.74Å; E429-R432 IonicContact OE2-NH1 3.89Å; E429-R432 PolarHBondContact OE2-NH1 2.96Å; E429-K433 PolarHBondContact O-N 3Å; E429-K433 WeakPolarHBondContact OE1-CE 3.1Å; E429-K433 IonicContact OE1-NZ 3.9Å
430N97.4Very high95.3Very high5 Ų551.2 Ų51.23%0.02725%0.246CC..Hα-helixtrans-66.5-36.7175.6-76.2-23.4000112N426 L427 R432 K433 L573 T577 P583N426-N430 WeakPolarHBondContact O-CB 3.44Å; N426-N430 PolarHBondContact O-N 2.87Å; L427-N430 PolarHBondContact O-N 2.86Å; N430-R432 VanDerWaalsContact C-N 3.34Å; N430-R432 PolarHBondContact O-N 3.22Å; N430-K433 PolarHBondContact O-N 3.02Å; N430-L573 HydrophobicContact CB-CD1 3.94Å; N430-T577 WeakPolarHBondContact ND2-CG2 3.46Å; N430-T577 PolarHBondContact ND2-OG1 3.32Å; N430-P583 HydrophobicContact CB-CB 4.38Å
431N97Very high95.3Very high4 Ų451.2 Ų51.22%0.02125%0.246CC..Hα-helixtrans-62.2-39.9173.4-174.953.4000111.7L427 L428 E429 K433 T434 K442 F446 L450 L573L427-N431 VanDerWaalsContact O-CB 3.23Å; L427-N431 WeakPolarHBondContact O-CB 3.42Å; L427-N431 PolarHBondContact O-N 2.77Å; L428-N431 PolarHBondContact O-N 3.06Å; E429-N431 VanDerWaalsContact C-N 3.34Å; E429-N431 PolarHBondContact O-N 3.49Å; N431-K433 PolarHBondContact O-N 3.05Å; N431-T434 PolarHBondContact O-N 3.37Å; N431-T434 VanDerWaalsContact O-N 3.1Å; N431-T434 PolarHBondContact O-OG1 3.28Å; N431-K442 VanDerWaalsContact O-CE 3.27Å; N431-K442 WeakPolarHBondContact O-CE 3.34Å; N431-F446 WeakPolarHBondContact OD1-CD1 3.41Å; N431-L450 HydrophobicContact CB-CD1 4.05Å; N431-L573 HydrophobicContact CB-CD2 4.02Å
432R96.1Very high95.5Very high145 Ų14548.6 Ų48.655%0.54723%0.233SC..Hα-helixtrans-57.8-37.2176.9-73.9174.1-156.7148.21.3112.5L428 E429 N430 T434 K442L428-R432 WeakPolarHBondContact O-CG 3.48Å; L428-R432 PolarHBondContact O-N 2.7Å; E429-R432 WeakPolarHBondContact O-CB 3.45Å; E429-R432 PolarHBondContact O-N 2.92Å; E429-R432 IonicContact OE2-CZ 2.74Å; E429-R432 IonicContact OE2-NH1 3.89Å; E429-R432 PolarHBondContact OE2-NH1 2.96Å; N430-R432 VanDerWaalsContact C-N 3.34Å; N430-R432 PolarHBondContact O-N 3.22Å; R432-T434 PolarHBondContact O-N 2.98Å; R432-K442 PolarHBondContact O-NZ 2.68Å
433K96.5Very high95.3Very high121 Ų12150 Ų5053%0.52623%0.231SC..THydrogen-bonded Turntrans-70.3-7.4179.3-63.9170.7-171.21650114.5E429 N430 N431 P583E429-K433 PolarHBondContact O-N 3Å; E429-K433 WeakPolarHBondContact OE1-CE 3.1Å; E429-K433 IonicContact OE1-NZ 3.9Å; N430-K433 PolarHBondContact O-N 3.02Å; N431-K433 PolarHBondContact O-N 3.05Å; K433-P583 HydrophobicContact CB-CG 4.38Å
434T97.2Very high95.2Very high5 Ų556 Ų563%0.03126%0.257CS..SBendtrans-99.3152.817966.40000112.1N431 R432 W436 K442 P583 F585N431-T434 PolarHBondContact O-N 3.37Å; N431-T434 VanDerWaalsContact O-N 3.1Å; N431-T434 PolarHBondContact O-OG1 3.28Å; R432-T434 PolarHBondContact O-N 2.98Å; T434-W436 VanDerWaalsContact OG1-CD1 3.24Å; T434-W436 PolarHBondContact OG1-NE1 3.07Å; T434-K442 PolarHBondContact O-NZ 3.36Å; T434-P583 HydrophobicContact CG2-CB 3.55Å; T434-P583 HydrophobicContact CG2-CG 4.34Å; T434-F585 HydrophobicContact CG2-CD2 4.14Å; T434-F585 HydrophobicContact CG2-CE2 3.89Å; T434-F585 VanDerWaalsContact CG2-O 3.25Å; T434-F585 WeakPolarHBondContact CG2-O 3.46Å
435Y97.2Very high94.7Very high81 Ų8161.1 Ų61.132%0.31827%0.274SS..EExtended strand (participates in β ladder)trans-107.5125.6175.8-177.4-111.6000110.7V437 R586 N587 L588 A711 Y712Y435-V437 HydrophobicContact CD1-CG2 4.25Å; Y435-V437 HydrophobicContact CE1-CG2 3.49Å; Y435-V437 VanDerWaalsContact CE1-CG2 3.49Å; Y435-R586 PolarHBondContact N-O 2.8Å; Y435-N587 CarbonylContact O-C 3.33Å; Y435-N587 WeakPolarHBondContact O-CA 3.46Å; Y435-L588 PolarHBondContact O-N 3.22Å; Y435-A711 WeakPolarHBondContact CE1-O 3.29Å; Y435-Y712 HydrophobicContact CD1-CD2 4.38Å; Y435-Y712 HydrophobicContact CE1-CD2 4.44Å
436W96.5Very high94.5Very high1 Ų154.8 Ų54.80%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-120.1140.4-176.3-69.150.9000110.6T434 P438 D439 V441 K442 F446 T565 F569 F585 L588 V590T434-W436 VanDerWaalsContact OG1-CD1 3.24Å; T434-W436 PolarHBondContact OG1-NE1 3.07Å; W436-P438 CarbonylContact O-C 3.57Å; W436-D439 PolarHBondContact O-N 3.29Å; W436-V441 HydrophobicContact CE3-CB 4.33Å; W436-V441 HydrophobicContact CE3-CG1 3.99Å; W436-V441 HydrophobicContact CZ3-CG1 3.9Å; W436-K442 HydrophobicContact CB-CB 3.81Å; W436-K442 HydrophobicContact CB-CD 4.48Å; W436-K442 HydrophobicContact CD2-CB 3.86Å; W436-K442 HydrophobicContact CD2-CG 4.43Å; W436-K442 HydrophobicContact CE3-CB 4.34Å; W436-K442 HydrophobicContact CG-CB 3.62Å; W436-K442 HydrophobicContact CG-CD 4.22Å; W436-K442 HydrophobicContact CG-CG 4.11Å; W436-F446 HydrophobicContact CH2-CB 4.04Å; W436-F446 AromaticContact CH2-CD1 3.37Å; W436-F446 HydrophobicContact CH2-CD1 3.37Å; W436-F446 HydrophobicContact CH2-CD2 4.15Å; W436-F446 AromaticContact CH2-CE1 3.73Å; W436-F446 HydrophobicContact CH2-CE1 3.73Å; W436-F446 HydrophobicContact CH2-CE2 4.46Å; W436-F446 AromaticContact CH2-CG 3.6Å; W436-F446 HydrophobicContact CH2-CG 3.6Å; W436-F446 HydrophobicContact CH2-CZ 4.26Å; W436-F446 AromaticContact CZ2-CD1 3.44Å; W436-F446 HydrophobicContact CZ2-CD1 3.44Å; W436-F446 VanDerWaalsContact CZ2-CD1 3.44Å; W436-F446 AromaticContact CZ2-CE1 3.65Å; W436-F446 HydrophobicContact CZ2-CE1 3.65Å; W436-F446 HydrophobicContact CZ2-CG 4.15Å; W436-F446 HydrophobicContact CZ3-CB 4.27Å; W436-F446 HydrophobicContact CZ3-CD1 4.38Å; W436-F446 HydrophobicContact CZ3-CG 4.29Å; W436-T565 HydrophobicContact CZ3-CG2 4.3Å; W436-F569 HydrophobicContact CH2-CB 4.27Å; W436-F569 AromaticContact CH2-CD2 3.97Å; W436-F569 HydrophobicContact CH2-CD2 3.97Å; W436-F569 HydrophobicContact CH2-CG 4.38Å; W436-F569 HydrophobicContact CZ3-CD2 4.05Å; W436-F569 HydrophobicContact CZ3-CE2 4.43Å; W436-F585 HydrophobicContact CZ2-CE2 4.39Å; W436-F585 HydrophobicContact CZ2-CZ 4.02Å; W436-F585 AromaticContact NE1-CE2 3.91Å; W436-L588 CarbonylContact C-O 3.58Å; W436-L588 WeakPolarHBondContact CA-O 3.46Å; W436-L588 HydrophobicContact CD2-CB 4.33Å; W436-L588 HydrophobicContact CD2-CD1 4.32Å; W436-L588 HydrophobicContact CD2-CD2 4.04Å; W436-L588 HydrophobicContact CD2-CG 4.48Å; W436-L588 HydrophobicContact CE3-CD1 4.38Å; W436-L588 HydrophobicContact CE3-CD2 3.72Å; W436-L588 HydrophobicContact CG-CB 4.33Å; W436-L588 HydrophobicContact CH2-CD1 3.98Å; W436-L588 HydrophobicContact CZ2-CD1 3.93Å; W436-L588 HydrophobicContact CZ3-CD1 4.2Å; W436-L588 HydrophobicContact CZ3-CD2 3.99Å; W436-V590 HydrophobicContact CE3-CG2 3.63Å; W436-V590 HydrophobicContact CZ3-CG2 3.92Å
437V95Very high94.3Very high4 Ų451 Ų512%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-123.5115172.1-178.90000108.6Y435 L588 I589 V590 F715Y435-V437 HydrophobicContact CD1-CG2 4.25Å; Y435-V437 HydrophobicContact CE1-CG2 3.49Å; Y435-V437 VanDerWaalsContact CE1-CG2 3.49Å; V437-L588 PolarHBondContact N-O 3.36Å; V437-I589 HydrophobicContact CB-CG1 4.39Å; V437-I589 CarbonylContact O-C 3.5Å; V437-I589 WeakPolarHBondContact O-CA 3.36Å; V437-V590 PolarHBondContact O-N 2.48Å; V437-F715 HydrophobicContact CG1-CD1 4.17Å; V437-F715 HydrophobicContact CG1-CE1 3.66Å
438P93.6Very high94.1Very high18 Ų1854.2 Ų54.212%0.11724%0.243CC..SBendcis-80.3151.3-1.835.8-38.9000113.6W436 F440 V441 R635W436-P438 CarbonylContact O-C 3.57Å; P438-F440 HydrophobicContact CB-CD1 3.73Å; P438-F440 HydrophobicContact CB-CE1 3.62Å; P438-F440 HydrophobicContact CG-CD1 3.8Å; P438-F440 HydrophobicContact CG-CE1 3.27Å; P438-F440 HydrophobicContact CG-CZ 3.9Å; P438-F440 PolarHBondContact O-N 3.2Å; P438-V441 HydrophobicContact CG-CG2 3.83Å; P438-V441 PolarHBondContact O-N 3.24Å; P438-R635 WeakPolarHBondContact CG-O 3.25Å
439D92.5Very high93.5Very high83 Ų8357 Ų5744%0.44425%0.252SS..Hα-helixtrans-62.9-35.4-172.6-172.639.7000114.2W436 V441 K442 E443W436-D439 PolarHBondContact O-N 3.29Å; D439-V441 PolarHBondContact O-N 3.43Å; D439-K442 WeakPolarHBondContact O-CB 3.34Å; D439-K442 PolarHBondContact O-N 3.24Å; D439-E443 PolarHBondContact O-N 3.33Å
440F92.8Very high93.2Very high87 Ų8753.6 Ų53.638%0.38224%0.236SC..Hα-helixtrans-59.5-24.3-179.678.1-95.7000113.4P438 K444P438-F440 HydrophobicContact CB-CD1 3.73Å; P438-F440 HydrophobicContact CB-CE1 3.62Å; P438-F440 HydrophobicContact CG-CD1 3.8Å; P438-F440 HydrophobicContact CG-CE1 3.27Å; P438-F440 HydrophobicContact CG-CZ 3.9Å; P438-F440 PolarHBondContact O-N 3.2Å; F440-K444 VanDerWaalsContact O-CB 3.31Å; F440-K444 WeakPolarHBondContact O-CB 3.35Å; F440-K444 PolarHBondContact O-N 3.12Å
441V93.3Very high93Very high0 Ų059.6 Ų59.60%026%0.259CS..Iπ-helixtrans-69.7-40.7178.8179.40000110.3W436 P438 D439 R445 F446 I562 T565 V590W436-V441 HydrophobicContact CE3-CB 4.33Å; W436-V441 HydrophobicContact CE3-CG1 3.99Å; W436-V441 HydrophobicContact CZ3-CG1 3.9Å; P438-V441 HydrophobicContact CG-CG2 3.83Å; P438-V441 PolarHBondContact O-N 3.24Å; D439-V441 PolarHBondContact O-N 3.43Å; V441-R445 HydrophobicContact CG1-CB 4.29Å; V441-R445 WeakPolarHBondContact O-CB 3.42Å; V441-R445 PolarHBondContact O-N 3.24Å; V441-F446 WeakPolarHBondContact O-CB 3.42Å; V441-F446 PolarHBondContact O-N 3.34Å; V441-I562 HydrophobicContact CG2-CD1 4.3Å; V441-T565 HydrophobicContact CG1-CG2 3.6Å; V441-V590 HydrophobicContact CB-CG2 4.24Å; V441-V590 HydrophobicContact CG1-CG1 4.32Å; V441-V590 HydrophobicContact CG1-CG2 3.91Å; V441-V590 HydrophobicContact CG2-CG1 4.49Å
442K94.7Very high92.5Very high32 Ų3265.7 Ų65.714%0.13929%0.291CS..Iπ-helixtrans-59.4-53.1175.7176.9-174.8167.81780111.1N431 R432 T434 W436 D439 A447N431-K442 VanDerWaalsContact O-CE 3.27Å; N431-K442 WeakPolarHBondContact O-CE 3.34Å; R432-K442 PolarHBondContact O-NZ 2.68Å; T434-K442 PolarHBondContact O-NZ 3.36Å; W436-K442 HydrophobicContact CB-CB 3.81Å; W436-K442 HydrophobicContact CB-CD 4.48Å; W436-K442 HydrophobicContact CD2-CB 3.86Å; W436-K442 HydrophobicContact CD2-CG 4.43Å; W436-K442 HydrophobicContact CE3-CB 4.34Å; W436-K442 HydrophobicContact CG-CB 3.62Å; W436-K442 HydrophobicContact CG-CD 4.22Å; W436-K442 HydrophobicContact CG-CG 4.11Å; D439-K442 WeakPolarHBondContact O-CB 3.34Å; D439-K442 PolarHBondContact O-N 3.24Å; K442-A447 VanDerWaalsContact O-CB 3.25Å; K442-A447 WeakPolarHBondContact O-CB 3.2Å; K442-A447 PolarHBondContact O-N 2.97Å
443E89Confident91.9Very high113 Ų11359.2 Ų59.253%0.52827%0.268SS..Iπ-helixtrans-80.4-45-171-60.4-162.5152.900113.4D439D439-E443 PolarHBondContact O-N 3.33Å
444K90.3Very high91.4Very high144 Ų14460.5 Ų60.563%0.62627%0.27SS*.Iπ-helixtrans-94.7-37.3-170.7-59.6-172.4178.3-178.50113.6F440 N448F440-K444 VanDerWaalsContact O-CB 3.31Å; F440-K444 WeakPolarHBondContact O-CB 3.35Å; F440-K444 PolarHBondContact O-N 3.12Å; K444-N448 VanDerWaalsContact O-CB 3.29Å; K444-N448 WeakPolarHBondContact O-CB 3.33Å; K444-N448 PolarHBondContact O-ND2 2.83Å
445R86.2Confident90.9Very high127 Ų12761.3 Ų61.348%0.47927%0.274SS..Iπ-helixtrans-90.1-53.8-179.1-74.3-168.6175.2-1362.9111.4V441 W449V441-R445 HydrophobicContact CG1-CB 4.29Å; V441-R445 WeakPolarHBondContact O-CB 3.42Å; V441-R445 PolarHBondContact O-N 3.24Å; R445-W449 WeakPolarHBondContact O-CB 3.2Å; R445-W449 PolarHBondContact O-N 2.84Å
446F91.6Very high90.6Very high1 Ų158.5 Ų58.50%0.00426%0.263CS..Iπ-helixtrans-82.1-51.4-169.6-163.5-121.9000112.1N431 W436 V441 N448 W449 L450 T565 F569 L573N431-F446 WeakPolarHBondContact OD1-CD1 3.41Å; W436-F446 HydrophobicContact CH2-CB 4.04Å; W436-F446 AromaticContact CH2-CD1 3.37Å; W436-F446 HydrophobicContact CH2-CD1 3.37Å; W436-F446 HydrophobicContact CH2-CD2 4.15Å; W436-F446 AromaticContact CH2-CE1 3.73Å; W436-F446 HydrophobicContact CH2-CE1 3.73Å; W436-F446 HydrophobicContact CH2-CE2 4.46Å; W436-F446 AromaticContact CH2-CG 3.6Å; W436-F446 HydrophobicContact CH2-CG 3.6Å; W436-F446 HydrophobicContact CH2-CZ 4.26Å; W436-F446 AromaticContact CZ2-CD1 3.44Å; W436-F446 HydrophobicContact CZ2-CD1 3.44Å; W436-F446 VanDerWaalsContact CZ2-CD1 3.44Å; W436-F446 AromaticContact CZ2-CE1 3.65Å; W436-F446 HydrophobicContact CZ2-CE1 3.65Å; W436-F446 HydrophobicContact CZ2-CG 4.15Å; W436-F446 HydrophobicContact CZ3-CB 4.27Å; W436-F446 HydrophobicContact CZ3-CD1 4.38Å; W436-F446 HydrophobicContact CZ3-CG 4.29Å; V441-F446 WeakPolarHBondContact O-CB 3.42Å; V441-F446 PolarHBondContact O-N 3.34Å; F446-N448 PolarHBondContact O-N 3.19Å; F446-W449 HydrophobicContact CD2-CE3 4.38Å; F446-W449 HydrophobicContact CE2-CE3 4.3Å; F446-W449 HydrophobicContact CE2-CZ3 4.27Å; F446-W449 PolarHBondContact O-N 3.34Å; F446-W449 VanDerWaalsContact O-N 3.08Å; F446-L450 HydrophobicContact CD1-CD1 3.95Å; F446-L450 HydrophobicContact CD1-CG 4.46Å; F446-L450 HydrophobicContact CE1-CD1 3.88Å; F446-L450 HydrophobicContact CE1-CG 4.4Å; F446-L450 HydrophobicContact CZ-CD1 4.48Å; F446-L450 HydrophobicContact CZ-CD2 4.37Å; F446-L450 WeakPolarHBondContact O-CG 3.4Å; F446-L450 PolarHBondContact O-N 3.43Å; F446-T565 WeakPolarHBondContact CD2-O 3.36Å; F446-T565 WeakPolarHBondContact CE2-O 3.45Å; F446-F569 HydrophobicContact CE2-CB 4.14Å; F446-F569 HydrophobicContact CZ-CB 4.09Å; F446-L573 HydrophobicContact CE1-CD2 3.74Å; F446-L573 HydrophobicContact CZ-CD2 4.22Å
447A93.7Very high90.2Very high12 Ų1258.8 Ų58.810%0.09927%0.265CS..Hα-helixtrans-64.4-36.1179.700000113.4L428 K442 W449 L450 R451L428-A447 HydrophobicContact CD2-CB 4.17Å; K442-A447 VanDerWaalsContact O-CB 3.25Å; K442-A447 WeakPolarHBondContact O-CB 3.2Å; K442-A447 PolarHBondContact O-N 2.97Å; A447-W449 VanDerWaalsContact C-N 3.29Å; A447-W449 PolarHBondContact O-N 3.46Å; A447-L450 PolarHBondContact O-N 3.02Å; A447-R451 PolarHBondContact O-N 3.3Å; A447-R451 VanDerWaalsContact O-N 3.13Å
448N90.8Very high90.1Very high67 Ų6758.6 Ų58.636%0.35826%0.264SS..Hα-helixtrans-59.5-44.3171.8-74.7-2.3000111.2K444 F446 R451K444-N448 VanDerWaalsContact O-CB 3.29Å; K444-N448 WeakPolarHBondContact O-CB 3.33Å; K444-N448 PolarHBondContact O-ND2 2.83Å; F446-N448 PolarHBondContact O-N 3.19Å; N448-R451 PolarHBondContact O-N 3.4Å; N448-R451 PolarHBondContact OD1-NH1 3.21Å; N448-R451 PolarHBondContact OD1-NH2 3.11Å
449W85.6Confident90Very high75 Ų7557.9 Ų57.928%0.28426%0.26SS..Hα-helixtrans-70.1-33.1179.7-179.678.4000112.8R445 F446 A447 R451 D452 A453 Y570R445-W449 WeakPolarHBondContact O-CB 3.2Å; R445-W449 PolarHBondContact O-N 2.84Å; F446-W449 HydrophobicContact CD2-CE3 4.38Å; F446-W449 HydrophobicContact CE2-CE3 4.3Å; F446-W449 HydrophobicContact CE2-CZ3 4.27Å; F446-W449 PolarHBondContact O-N 3.34Å; F446-W449 VanDerWaalsContact O-N 3.08Å; A447-W449 VanDerWaalsContact C-N 3.29Å; A447-W449 PolarHBondContact O-N 3.46Å; W449-R451 VanDerWaalsContact C-N 3.35Å; W449-R451 PolarHBondContact O-N 3.04Å; W449-D452 PolarHBondContact O-N 3.17Å; W449-A453 PolarHBondContact O-N 3.34Å; W449-Y570 HydrophobicContact CE3-CD2 4.29Å; W449-Y570 AromaticContact CH2-CD1 3.44Å; W449-Y570 HydrophobicContact CH2-CD1 3.44Å; W449-Y570 VanDerWaalsContact CH2-CD1 3.44Å; W449-Y570 AromaticContact CH2-CD2 3.14Å; W449-Y570 HydrophobicContact CH2-CD2 3.14Å; W449-Y570 AromaticContact CH2-CE1 3.62Å; W449-Y570 HydrophobicContact CH2-CE1 3.62Å; W449-Y570 AromaticContact CH2-CE2 3.23Å; W449-Y570 HydrophobicContact CH2-CE2 3.23Å; W449-Y570 AromaticContact CH2-CG 3.13Å; W449-Y570 HydrophobicContact CH2-CG 3.13Å; W449-Y570 AromaticContact CH2-CZ 3.46Å; W449-Y570 VanDerWaalsContact CH2-CZ 3.46Å; W449-Y570 HydrophobicContact CZ2-CD1 4.44Å; W449-Y570 HydrophobicContact CZ2-CD2 4.48Å; W449-Y570 HydrophobicContact CZ2-CE1 4.42Å; W449-Y570 HydrophobicContact CZ2-CE2 4.36Å; W449-Y570 HydrophobicContact CZ2-CG 4.4Å; W449-Y570 HydrophobicContact CZ3-CD1 4.13Å; W449-Y570 AromaticContact CZ3-CD2 3Å; W449-Y570 HydrophobicContact CZ3-CD2 3Å; W449-Y570 HydrophobicContact CZ3-CE1 4.49Å; W449-Y570 AromaticContact CZ3-CE2 3.4Å; W449-Y570 HydrophobicContact CZ3-CE2 3.4Å; W449-Y570 VanDerWaalsContact CZ3-CE2 3.4Å; W449-Y570 AromaticContact CZ3-CG 3.32Å; W449-Y570 HydrophobicContact CZ3-CG 3.32Å
450L91.3Very high89.6Confident0 Ų057.7 Ų57.70%025%0.253CS..Hα-helixtrans-64.9-34.2172.9-69.5175.8000113V424 L427 L428 N431 F446 A447 D452 A453 Y570 L573V424-L450 WeakPolarHBondContact CG1-O 3.31Å; L427-L450 HydrophobicContact CB-CD1 4.49Å; L427-L450 HydrophobicContact CB-CD2 4.44Å; L427-L450 HydrophobicContact CD1-CD2 4.45Å; L428-L450 HydrophobicContact CD2-CB 3.9Å; L428-L450 HydrophobicContact CD2-CD1 4.44Å; N431-L450 HydrophobicContact CB-CD1 4.05Å; F446-L450 HydrophobicContact CD1-CD1 3.95Å; F446-L450 HydrophobicContact CD1-CG 4.46Å; F446-L450 HydrophobicContact CE1-CD1 3.88Å; F446-L450 HydrophobicContact CE1-CG 4.4Å; F446-L450 HydrophobicContact CZ-CD1 4.48Å; F446-L450 HydrophobicContact CZ-CD2 4.37Å; F446-L450 WeakPolarHBondContact O-CG 3.4Å; F446-L450 PolarHBondContact O-N 3.43Å; A447-L450 PolarHBondContact O-N 3.02Å; L450-D452 VanDerWaalsContact C-N 3.25Å; L450-D452 PolarHBondContact O-N 2.85Å; L450-A453 VanDerWaalsContact O-CB 3.25Å; L450-A453 WeakPolarHBondContact O-CB 3.28Å; L450-A453 PolarHBondContact O-N 3.15Å; L450-Y570 HydrophobicContact CD2-CD2 4.03Å; L450-Y570 HydrophobicContact CD2-CE2 4.23Å; L450-L573 HydrophobicContact CD1-CD2 3.74Å; L450-L573 HydrophobicContact CD2-CD2 4.38Å
451R91.8Very high89.2Confident132 Ų13256.3 Ų56.350%0.49825%0.249SC..Hα-helixtrans-62.8-33.9177.8-76.6-174-128.91078112.7L428 A447 N448 W449L428-R451 HydrophobicContact CD1-CG 3.81Å; L428-R451 HydrophobicContact CD2-CG 4.08Å; A447-R451 PolarHBondContact O-N 3.3Å; A447-R451 VanDerWaalsContact O-N 3.13Å; N448-R451 PolarHBondContact O-N 3.4Å; N448-R451 PolarHBondContact OD1-NH1 3.21Å; N448-R451 PolarHBondContact OD1-NH2 3.11Å; W449-R451 VanDerWaalsContact C-N 3.35Å; W449-R451 PolarHBondContact O-N 3.04Å
452D86.5Confident88.7Confident132 Ų13258.2 Ų58.271%0.70626%0.257SS*.THydrogen-bonded Turntrans-100.215.4-179.4-56-41.4000112.2W449 L450 R454W449-D452 PolarHBondContact O-N 3.17Å; L450-D452 VanDerWaalsContact C-N 3.25Å; L450-D452 PolarHBondContact O-N 2.85Å; D452-R454 PolarHBondContact O-N 2.91Å
453A84.1Confident88.5Confident8 Ų858.6 Ų58.67%0.06626%0.257CS..PPolyproline II helixtrans-64.5129.7-177.600000111.1V420 V424 W449 L450V420-A453 HydrophobicContact CG1-CB 4.12Å; V424-A453 HydrophobicContact CG2-CB 4.35Å; W449-A453 PolarHBondContact O-N 3.34Å; L450-A453 VanDerWaalsContact O-CB 3.25Å; L450-A453 WeakPolarHBondContact O-CB 3.28Å; L450-A453 PolarHBondContact O-N 3.15Å
454R85.2Confident88.7Confident149 Ų14953.2 Ų53.256%0.56223%0.232SC*.PPolyproline II helixtrans-102165.2175.2-61.6-164.7-177.1-176.33.7111.1D452 W456D452-R454 PolarHBondContact O-N 2.91Å; R454-W456 PolarHBondContact O-N 2.71Å
455D88.2Confident88.8Confident21 Ų2146.4 Ų46.411%0.11220%0.203CC..PPolyproline II helixtrans-54.5134.1174.9-68-16.4000111.9Y173 K345 F417 I418 R419 V420 E421Y173-D455 HydrophobicContact CE1-CB 4.29Å; Y173-D455 PolarHBondContact OH-OD2 3.47Å; K345-D455 IonicContact NZ-OD2 3.17Å; K345-D455 PolarHBondContact NZ-OD2 2.99Å; F417-D455 HydrophobicContact CD1-CB 4.29Å; I418-D455 CarbonylContact O-C 3.58Å; I418-D455 WeakPolarHBondContact O-CA 3.32Å; I418-D455 WeakPolarHBondContact O-CB 3.37Å; R419-D455 VanDerWaalsContact CA-OD1 3.29Å; R419-D455 WeakPolarHBondContact CA-OD1 3.24Å; V420-D455 PolarHBondContact N-OD1 3.03Å; E421-D455 WeakPolarHBondContact CG-OD1 3.45Å; E421-D455 PolarHBondContact N-OD1 3.22Å; E421-D455 VanDerWaalsContact N-OD1 3.15Å; E421-D455 PolarHBondContact OE1-N 3.41Å
456W89.9Confident89.4Confident22 Ų2240.3 Ų40.38%0.08318%0.18CC..EExtended strand (participates in β ladder)trans-90.7113.7-169.5174.619.4000110.9F417 I418 V420 R454 I458 D526 W528 F529 T571 V574 L575F417-W456 CarbonylContact C-O 3.54Å; F417-W456 VanDerWaalsContact CA-O 3.24Å; F417-W456 WeakPolarHBondContact CA-O 3.37Å; I418-W456 HydrophobicContact CD1-CE3 4.02Å; I418-W456 HydrophobicContact CD1-CZ3 4.31Å; I418-W456 PolarHBondContact N-O 3.35Å; I418-W456 PolarHBondContact O-N 3.4Å; V420-W456 HydrophobicContact CG2-CB 3.93Å; R454-W456 PolarHBondContact O-N 2.71Å; W456-I458 HydrophobicContact CD2-CG2 3.64Å; W456-I458 HydrophobicContact CE3-CG2 4.06Å; W456-I458 HydrophobicContact CG-CG2 3.94Å; W456-I458 HydrophobicContact CZ2-CG2 4.15Å; W456-I458 PolarHBondContact O-N 2.82Å; W456-D526 PolarHBondContact NE1-OD2 2.77Å; W456-W528 HydrophobicContact CZ2-CB 4Å; W456-F529 HydrophobicContact CH2-CB 3.86Å; W456-F529 AromaticContact CH2-CD2 3.79Å; W456-F529 HydrophobicContact CH2-CD2 3.79Å; W456-F529 HydrophobicContact CH2-CG 4.28Å; W456-F529 HydrophobicContact CZ2-CB 3.94Å; W456-F529 HydrophobicContact CZ2-CD2 4.39Å; W456-F529 AromaticContact CZ3-CD2 3.95Å; W456-F529 HydrophobicContact CZ3-CD2 3.95Å; W456-T571 HydrophobicContact CH2-CG2 3.31Å; W456-T571 HydrophobicContact CZ2-CG2 3.53Å; W456-T571 HydrophobicContact CZ3-CG2 3.93Å; W456-V574 HydrophobicContact CE3-CG1 4.21Å; W456-V574 HydrophobicContact CZ3-CG1 4.36Å; W456-L575 HydrophobicContact CH2-CD1 4.47Å; W456-L575 HydrophobicContact CZ3-CD1 4.47Å; W456-L575 HydrophobicContact CZ3-CD2 4.23Å; W456-L575 HydrophobicContact CZ3-CG 4.21Å
457A88.6Confident89.6Confident7 Ų740.3 Ų40.36%0.05818%0.18CC..EExtended strand (participates in β ladder)trans-69.6107.1170.700000110.7K177 F417 R460K177-A457 HydrophobicContact CD-CB 4.13Å; F417-A457 HydrophobicContact CD1-CB 3.93Å; F417-A457 HydrophobicContact CE1-CB 3.63Å; F417-A457 HydrophobicContact CZ-CB 4.19Å; A457-R460 PolarHBondContact O-NH1 2.79Å; A457-R460 PolarHBondContact O-NH2 3.48Å; A457-R460 VanDerWaalsContact O-NH2 3.11Å
458I91.7Very high89.8Confident0 Ų039.7 Ų39.70%018%0.175CC..  trans-99.6-13.5-175.651.3156.3000114.1F163 W416 I418 W456 F525 D526 F529F163-I458 HydrophobicContact CD2-CD1 3.97Å; F163-I458 HydrophobicContact CE2-CD1 3.47Å; F163-I458 VanDerWaalsContact CE2-CD1 3.47Å; W416-I458 HydrophobicContact CB-CD1 4.31Å; W416-I458 HydrophobicContact CB-CG1 4.14Å; W416-I458 WeakPolarHBondContact O-CG1 3.24Å; W416-I458 PolarHBondContact O-N 3.05Å; I418-I458 HydrophobicContact CD1-CD1 4.2Å; I418-I458 HydrophobicContact CD1-CG2 3.51Å; I418-I458 HydrophobicContact CG1-CD1 4Å; I418-I458 HydrophobicContact CG1-CG1 4.31Å; I418-I458 HydrophobicContact CG1-CG2 3.92Å; W456-I458 HydrophobicContact CD2-CG2 3.64Å; W456-I458 HydrophobicContact CE3-CG2 4.06Å; W456-I458 HydrophobicContact CG-CG2 3.94Å; W456-I458 HydrophobicContact CZ2-CG2 4.15Å; W456-I458 PolarHBondContact O-N 2.82Å; I458-F525 HydrophobicContact CD1-CD1 4.39Å; I458-F525 HydrophobicContact CD1-CE1 4Å; I458-F525 CarbonylContact O-C 3.46Å; I458-F525 WeakPolarHBondContact O-CA 3.4Å; I458-D526 PolarHBondContact O-N 3.25Å; I458-F529 HydrophobicContact CG2-CD2 3.91Å
459S91.6Very high90.1Very high4 Ų436.5 Ų36.53%0.02816%0.158CC..EExtended strand (participates in β ladder)trans-88.4144.3178.872.30000112.5S415 W416S415-S459 VanDerWaalsContact CA-OG 3.24Å; S415-S459 WeakPolarHBondContact CA-OG 3.47Å; S415-S459 WeakPolarHBondContact CB-OG 3.31Å; S415-S459 PolarHBondContact OG-OG 3Å; W416-S459 PolarHBondContact N-OG 3.47Å
460R84.6Confident90.7Very high78 Ų7833 Ų3329%0.29415%0.145SC..EExtended strand (participates in β ladder)trans-131.6132.7175.6-59.2-67.5176.6-95.2-0.2109.3A457 R462 E523 V524 D526A457-R460 PolarHBondContact O-NH1 2.79Å; A457-R460 PolarHBondContact O-NH2 3.48Å; A457-R460 VanDerWaalsContact O-NH2 3.11Å; R460-R462 HydrophobicContact CB-CB 4.46Å; R460-R462 HydrophobicContact CB-CG 4.04Å; R460-R462 PolarHBondContact O-N 3.43Å; R460-E523 WeakPolarHBondContact O-CA 3.3Å; R460-V524 HydrophobicContact CB-CG2 4.1Å; R460-V524 PolarHBondContact N-O 3.46Å; R460-V524 PolarHBondContact O-N 2.89Å; R460-D526 HydrophobicContact CG-CB 4.38Å; R460-D526 IonicContact CZ-OD1 3.14Å; R460-D526 IonicContact CZ-OD2 3.45Å; R460-D526 IonicContact NE-OD1 2.65Å; R460-D526 PolarHBondContact NE-OD1 3.37Å; R460-D526 IonicContact NH2-OD1 2.81Å; R460-D526 PolarHBondContact NH2-OD1 3.29Å; R460-D526 IonicContact NH2-OD2 2.76Å; R460-D526 PolarHBondContact NH2-OD2 2.93Å
461N84.8Confident91Very high58 Ų5833 Ų3331%0.3115%0.145SC..SBendtrans-82.569.3174.8-60.484.5000109.9P188P188-N461 HydrophobicContact CG-CB 4.1Å
462R83.6Confident91.1Very high41 Ų4127.3 Ų27.316%0.15513%0.125CC..  trans-136.9179.7-173.1-58.6-63.4-72.4-1795.7111.1E93 D97 R460 R501 V524E93-R462 VanDerWaalsContact CB-NH2 3.31Å; E93-R462 IonicContact OE2-CZ 3.9Å; E93-R462 IonicContact OE2-NE 3.1Å; E93-R462 PolarHBondContact OE2-NE 2.74Å; E93-R462 IonicContact OE2-NH2 2.66Å; E93-R462 PolarHBondContact OE2-NH2 3.15Å; D97-R462 IonicContact OD2-NH2 2.76Å; R460-R462 HydrophobicContact CB-CB 4.46Å; R460-R462 HydrophobicContact CB-CG 4.04Å; R460-R462 PolarHBondContact O-N 3.43Å; R462-R501 PolarHBondContact O-NH1 3.19Å; R462-V524 HydrophobicContact CB-CG2 3.93Å
463Y90.2Very high91.5Very high39 Ų3921.3 Ų21.315%0.1539%0.093CC..SBendtrans-110-44.5-170.8-50.1-79.5000112.4E93 P105 V108 I113 Y116 N117 R501E93-Y463 PolarHBondContact OE1-N 3.26Å; P105-Y463 VanDerWaalsContact CA-OH 3.26Å; P105-Y463 WeakPolarHBondContact CA-OH 3.5Å; P105-Y463 VanDerWaalsContact CB-OH 3.27Å; P105-Y463 WeakPolarHBondContact CB-OH 3.4Å; V108-Y463 HydrophobicContact CB-CD2 4.46Å; V108-Y463 HydrophobicContact CB-CE1 4.35Å; V108-Y463 HydrophobicContact CB-CE2 3.95Å; V108-Y463 HydrophobicContact CG1-CD1 3.89Å; V108-Y463 HydrophobicContact CG1-CD2 3.88Å; V108-Y463 HydrophobicContact CG1-CE1 3.82Å; V108-Y463 HydrophobicContact CG1-CE2 3.82Å; V108-Y463 HydrophobicContact CG1-CG 3.92Å; V108-Y463 HydrophobicContact CG2-CD2 4.2Å; V108-Y463 HydrophobicContact CG2-CE2 3.71Å; I113-Y463 HydrophobicContact CD1-CD1 4.16Å; I113-Y463 HydrophobicContact CG1-CD1 4.01Å; I113-Y463 HydrophobicContact CG1-CE1 4.49Å; Y116-Y463 HydrophobicContact CD1-CD2 4.46Å; Y116-Y463 HydrophobicContact CD1-CG 4.49Å; Y116-Y463 HydrophobicContact CE1-CD2 4.15Å; N117-Y463 PolarHBondContact ND2-O 3.09Å; Y463-R501 WeakPolarHBondContact O-CD 3.47Å
464W92.3Very high91.6Very high0 Ų027.1 Ų27.10%012%0.123CC..SBendtrans-98.599.4-175.9-174.9-114.6000111.7C87 H88 G89 E93 N117 C120 R121 L151 H500C87-W464 PolarHBondContact O-NE1 3.37Å; H88-W464 AromaticContact CD2-CE2 3.61Å; H88-W464 AromaticContact CD2-CZ2 3.88Å; H88-W464 AromaticContact CD2-NE1 3.6Å; G89-W464 PolarHBondContact N-O 3.09Å; E93-W464 HydrophobicContact CG-CB 3.66Å; E93-W464 PolarHBondContact OE1-N 3.46Å; N117-W464 HydrophobicContact CB-CE3 3.57Å; N117-W464 HydrophobicContact CB-CZ3 3.81Å; N117-W464 WeakPolarHBondContact O-CZ3 3.47Å; C120-W464 HydrophobicContact CB-CB 4.16Å; C120-W464 HydrophobicContact CB-CD2 3.47Å; C120-W464 VanDerWaalsContact CB-CD2 3.47Å; C120-W464 HydrophobicContact CB-CE3 4.07Å; C120-W464 HydrophobicContact CB-CG 3.5Å; C120-W464 HydrophobicContact CB-CZ2 4.39Å; R121-W464 HydrophobicContact CB-CH2 3.84Å; R121-W464 HydrophobicContact CB-CZ2 4.22Å; R121-W464 HydrophobicContact CG-CH2 4.26Å; L151-W464 HydrophobicContact CB-CZ2 4.39Å; L151-W464 HydrophobicContact CD2-CZ2 4.31Å; W464-H500 AromaticContact CE3-CD2 3.71Å; W464-H500 AromaticContact CH2-CD2 3.72Å; W464-H500 AromaticContact CH2-NE2 3.3Å; W464-H500 VanDerWaalsContact CH2-NE2 3.3Å; W464-H500 WeakPolarHBondContact CH2-NE2 3.5Å; W464-H500 AromaticContact CZ2-NE2 3.99Å; W464-H500 AromaticContact CZ3-CD2 3.23Å; W464-H500 WeakPolarHBondContact CZ3-CD2 3.45Å; W464-H500 AromaticContact CZ3-NE2 3.38Å; W464-H500 WeakPolarHBondContact CZ3-NE2 3.36Å
465G93.5Very high91.6Very high1 Ų124.3 Ų24.31%0.0112%0.119CC..SBendtrans173.8173.8176.800000111.7P467G465-P467 VanDerWaalsContact O-CD 3.23Å; G465-P467 WeakPolarHBondContact O-CD 3.4Å
466T96.9Very high91.4Very high0 Ų024.1 Ų24.10%012%0.123CC..PPolyproline II helixtrans-64.9121.7175.4-52.10000109.4M156 V159 V524 F525 E530M156-T466 HydrophobicContact CB-CG2 4.01Å; M156-T466 HydrophobicContact CE-CG2 4.11Å; M156-T466 HydrophobicContact CG-CG2 4.18Å; V159-T466 HydrophobicContact CB-CG2 4.41Å; V159-T466 HydrophobicContact CG1-CG2 4.1Å; T466-V524 CarbonylContact O-C 3.45Å; T466-V524 WeakPolarHBondContact O-CA 3.35Å; T466-V524 WeakPolarHBondContact O-CB 3.41Å; T466-F525 HydrophobicContact CG2-CD2 3.92Å; T466-F525 HydrophobicContact CG2-CE2 4.32Å; T466-F525 VanDerWaalsContact O-CD2 3.28Å; T466-F525 WeakPolarHBondContact O-CD2 3.5Å; T466-F525 PolarHBondContact O-N 3.47Å; T466-E530 WeakPolarHBondContact CB-OE1 3.3Å; T466-E530 PolarHBondContact N-OE1 3.22Å; T466-E530 PolarHBondContact OG1-OE1 2.82Å
467P97.3Very high91.2Very high0 Ų028.9 Ų28.90%015%0.146CC..BIsolated β-bridgetrans-66.5143.4177.9-26.841.3000111.2W160 G465 L499 R501 V504W160-P467 PolarHBondContact NE1-O 2.89Å; G465-P467 VanDerWaalsContact O-CD 3.23Å; G465-P467 WeakPolarHBondContact O-CD 3.4Å; P467-L499 WeakPolarHBondContact CD-O 3.36Å; P467-L499 WeakPolarHBondContact CG-O 3.16Å; P467-R501 HydrophobicContact CB-CG 4.44Å; P467-R501 HydrophobicContact CG-CG 3.83Å; P467-V504 HydrophobicContact CB-CG2 4.03Å; P467-V504 HydrophobicContact CG-CG2 3.91Å
468I97.7Very high91.4Very high0 Ų029.3 Ų29.30%015%0.147CC..PPolyproline II helixtrans-74.4126.4174-60.2-179.8000108.7F163 L470 R520 I521 E523 F525F163-I468 HydrophobicContact CD1-CG2 4.49Å; F163-I468 HydrophobicContact CE1-CG2 3.79Å; F163-I468 HydrophobicContact CE2-CG2 4.38Å; F163-I468 HydrophobicContact CZ-CG2 3.7Å; I468-L470 HydrophobicContact CG2-CB 4.48Å; I468-L470 HydrophobicContact CG2-CD1 3.97Å; I468-L470 HydrophobicContact CG2-CG 3.93Å; I468-L470 PolarHBondContact O-N 2.93Å; I468-R520 PolarHBondContact O-NH1 2.89Å; I468-I521 HydrophobicContact CB-CD1 3.89Å; I468-I521 HydrophobicContact CB-CG1 4.33Å; I468-I521 HydrophobicContact CD1-CD1 4.48Å; I468-I521 HydrophobicContact CG2-CD1 3.78Å; I468-E523 HydrophobicContact CD1-CB 4.17Å; I468-E523 PolarHBondContact N-O 3.42Å; I468-F525 HydrophobicContact CB-CE2 4.3Å; I468-F525 HydrophobicContact CB-CZ 4.28Å; I468-F525 HydrophobicContact CD1-CD1 4.39Å; I468-F525 HydrophobicContact CD1-CE1 4.44Å; I468-F525 HydrophobicContact CG1-CD1 3.96Å; I468-F525 HydrophobicContact CG1-CD2 3.97Å; I468-F525 HydrophobicContact CG1-CE1 3.94Å; I468-F525 HydrophobicContact CG1-CE2 3.96Å; I468-F525 HydrophobicContact CG1-CG 3.97Å; I468-F525 HydrophobicContact CG1-CZ 3.92Å; I468-F525 HydrophobicContact CG2-CZ 4.18Å
469P97.4Very high91.5Very high0 Ų031.9 Ų31.90%016%0.16CC..  trans-85.450.3-169.835.6-38.8000113.7W160 F163 W471 C481 V482W160-P469 HydrophobicContact CB-CG 4.12Å; W160-P469 HydrophobicContact CD2-CB 3.45Å; W160-P469 VanDerWaalsContact CD2-CB 3.45Å; W160-P469 HydrophobicContact CD2-CG 3.93Å; W160-P469 HydrophobicContact CE3-CB 3.67Å; W160-P469 HydrophobicContact CE3-CG 4.48Å; W160-P469 HydrophobicContact CG-CB 3.85Å; W160-P469 HydrophobicContact CG-CG 3.75Å; W160-P469 HydrophobicContact CH2-CB 4.17Å; W160-P469 HydrophobicContact CZ2-CB 3.98Å; W160-P469 HydrophobicContact CZ3-CB 4.02Å; F163-P469 HydrophobicContact CD1-CG 3.71Å; F163-P469 HydrophobicContact CE1-CG 4.28Å; P469-W471 HydrophobicContact CB-CZ3 3.98Å; P469-C481 WeakPolarHBondContact O-CA 3.45Å; P469-V482 HydrophobicContact CB-CB 4.26Å; P469-V482 VanDerWaalsContact CB-O 3.25Å; P469-V482 WeakPolarHBondContact CB-O 3.38Å; P469-V482 VanDerWaalsContact CG-O 3.26Å; P469-V482 WeakPolarHBondContact CG-O 3.48Å; P469-V482 PolarHBondContact O-N 3.28Å
470L97.4Very high91.7Very high0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-108.8115.3177.1-65.8176.3000110.5F163 Y167 W416 I468 V472 I479 C481 R520 I521F163-L470 HydrophobicContact CE1-CD1 4.06Å; F163-L470 HydrophobicContact CE1-CD2 3.83Å; F163-L470 HydrophobicContact CE1-CG 3.76Å; F163-L470 HydrophobicContact CZ-CD1 3.9Å; F163-L470 HydrophobicContact CZ-CD2 4.39Å; F163-L470 HydrophobicContact CZ-CG 4.12Å; Y167-L470 HydrophobicContact CD2-CD2 4.19Å; Y167-L470 HydrophobicContact CE2-CD2 4.09Å; W416-L470 HydrophobicContact CD2-CD1 3.75Å; W416-L470 HydrophobicContact CE3-CD1 3.72Å; W416-L470 HydrophobicContact CH2-CD1 3.43Å; W416-L470 VanDerWaalsContact CH2-CD1 3.43Å; W416-L470 HydrophobicContact CZ2-CD1 3.47Å; W416-L470 VanDerWaalsContact CZ2-CD1 3.47Å; W416-L470 HydrophobicContact CZ3-CD1 3.56Å; I468-L470 HydrophobicContact CG2-CB 4.48Å; I468-L470 HydrophobicContact CG2-CD1 3.97Å; I468-L470 HydrophobicContact CG2-CG 3.93Å; I468-L470 PolarHBondContact O-N 2.93Å; L470-V472 HydrophobicContact CB-CG2 4.3Å; L470-I479 HydrophobicContact CB-CG2 4.36Å; L470-I479 HydrophobicContact CD2-CG2 3.71Å; L470-I479 HydrophobicContact CG-CG2 4.47Å; L470-C481 HydrophobicContact CD2-CB 3.6Å; L470-R520 WeakPolarHBondContact O-CA 3.33Å; L470-I521 HydrophobicContact CB-CD1 4.01Å; L470-I521 HydrophobicContact CB-CG1 4.18Å; L470-I521 HydrophobicContact CB-CG2 4.32Å; L470-I521 HydrophobicContact CD1-CD1 4.03Å; L470-I521 HydrophobicContact CG-CD1 4.46Å; L470-I521 PolarHBondContact O-N 3.48Å
471W96.9Very high92.3Very high0 Ų030.2 Ų30.20%016%0.158CC..EExtended strand (participates in β ladder)trans-95.8124.5169.3-81.3-103000109.3W160 P469 I479 V480 V482 L488 L507 V509 L518 R519 R520W160-W471 AromaticContact CH2-CH2 3.72Å; W160-W471 HydrophobicContact CH2-CH2 3.72Å; W160-W471 HydrophobicContact CH2-CZ3 4.25Å; W160-W471 HydrophobicContact CZ3-CH2 4.14Å; W160-W471 HydrophobicContact CZ3-CZ3 4.4Å; P469-W471 HydrophobicContact CB-CZ3 3.98Å; W471-I479 CarbonylContact O-C 3.58Å; W471-I479 WeakPolarHBondContact O-CA 3.49Å; W471-V480 HydrophobicContact CB-CB 4.42Å; W471-V480 PolarHBondContact N-O 3.28Å; W471-V480 PolarHBondContact O-N 2.77Å; W471-V482 HydrophobicContact CD2-CG2 4.34Å; W471-V482 HydrophobicContact CE3-CB 4.15Å; W471-V482 HydrophobicContact CE3-CG2 3.46Å; W471-V482 VanDerWaalsContact CE3-CG2 3.46Å; W471-V482 HydrophobicContact CH2-CG2 4.38Å; W471-V482 HydrophobicContact CZ3-CB 3.71Å; W471-V482 HydrophobicContact CZ3-CG2 3.49Å; W471-V482 VanDerWaalsContact CZ3-CG2 3.49Å; W471-L488 HydrophobicContact CH2-CD1 3.45Å; W471-L488 VanDerWaalsContact CH2-CD1 3.45Å; W471-L488 HydrophobicContact CH2-CD2 4.28Å; W471-L488 HydrophobicContact CZ2-CD1 3.41Å; W471-L488 VanDerWaalsContact CZ2-CD1 3.41Å; W471-L488 HydrophobicContact CZ3-CD1 4.15Å; W471-L507 PolarHBondContact NE1-O 3.16Å; W471-V509 HydrophobicContact CB-CB 4.49Å; W471-V509 HydrophobicContact CB-CG2 4.33Å; W471-V509 HydrophobicContact CD2-CG2 4.24Å; W471-V509 HydrophobicContact CG-CB 4.37Å; W471-V509 HydrophobicContact CG-CG2 3.81Å; W471-L518 HydrophobicContact CB-CB 3.89Å; W471-R519 CarbonylContact C-O 3.58Å; W471-R519 WeakPolarHBondContact CA-O 3.44Å; W471-R520 HydrophobicContact CD2-CB 4.37Å; W471-R520 HydrophobicContact CH2-CG 4.32Å; W471-R520 HydrophobicContact CZ2-CB 4.17Å; W471-R520 HydrophobicContact CZ2-CG 4.19Å
472V94.8Very high92.9Very high13 Ų1327.4 Ų27.48%0.07914%0.143CC..EExtended strand (participates in β ladder)trans-127.7142.6-167.8-172.80000110L470 E478 I479 L518 R519 I521L470-V472 HydrophobicContact CB-CG2 4.3Å; V472-E478 WeakPolarHBondContact CA-O 3.49Å; V472-I479 HydrophobicContact CG1-CG1 4.03Å; V472-I479 HydrophobicContact CG2-CG1 4.06Å; V472-I479 HydrophobicContact CG2-CG2 4.18Å; V472-L518 WeakPolarHBondContact O-CA 3.4Å; V472-R519 PolarHBondContact N-O 3.44Å; V472-R519 PolarHBondContact O-N 2.97Å; V472-I521 HydrophobicContact CB-CG2 4.25Å; V472-I521 HydrophobicContact CG2-CG2 3.44Å; V472-I521 VanDerWaalsContact CG2-CG2 3.44Å
473S93.8Very high93.5Very high6 Ų625.7 Ų25.74%0.04214%0.138CC..  trans-69.3157.2171.555.80000111D475 G476 E477 E478S473-D475 WeakPolarHBondContact CB-OD1 3.21Å; S473-D475 PolarHBondContact O-N 2.82Å; S473-D475 VanDerWaalsContact O-N 3.12Å; S473-D475 PolarHBondContact OG-OD1 2.87Å; S473-G476 PolarHBondContact O-N 2.72Å; S473-G476 PolarHBondContact OG-N 2.9Å; S473-E477 PolarHBondContact OG-N 3.44Å; S473-E478 PolarHBondContact N-O 2.88Å; S473-E478 PolarHBondContact OG-N 2.97Å; S473-E478 PolarHBondContact OG-O 3.45Å
474D86.9Confident93.9Very high130 Ų13024.7 Ų24.770%0.69514%0.137SC*.THydrogen-bonded Turntrans-59.7-27.4-179.9-72.2-20.7000112.8R519D474-R519 IonicContact OD1-NH1 3.84Å; D474-R519 PolarHBondContact OD1-NH1 3.04Å; D474-R519 IonicContact OD2-NH1 3.75Å; D474-R519 PolarHBondContact OD2-NH1 2.72Å
475D84.7Confident94.1Very high90 Ų9025.9 Ų25.948%0.48114%0.143SC..THydrogen-bonded Turntrans-87-9.717461.322.2000114.8S473 E477 K515S473-D475 WeakPolarHBondContact CB-OD1 3.21Å; S473-D475 PolarHBondContact O-N 2.82Å; S473-D475 VanDerWaalsContact O-N 3.12Å; S473-D475 PolarHBondContact OG-OD1 2.87Å; D475-E477 VanDerWaalsContact C-N 3.31Å; D475-E477 PolarHBondContact O-N 2.99Å; D475-E477 PolarHBondContact OD1-N 3.48Å; D475-K515 IonicContact OD1-NZ 2.84Å; D475-K515 PolarHBondContact OD1-NZ 3.45Å; D475-K515 IonicContact OD2-NZ 3.85Å; D475-K515 PolarHBondContact OD2-NZ 3.33Å
476G83.9Confident94.2Very high18 Ų1828.8 Ų28.819%0.18617%0.167CC..SBendtrans77.24.7178.800000116.4S473S473-G476 PolarHBondContact O-N 2.72Å; S473-G476 PolarHBondContact OG-N 2.9Å
477E85.8Confident94.2Very high122 Ų12231 Ų3157%0.5718%0.177SC*.SBendtrans-87.7-18-177.8-61.4-177.2-178.900114.2S473 D475 R513 K515S473-E477 PolarHBondContact OG-N 3.44Å; D475-E477 VanDerWaalsContact C-N 3.31Å; D475-E477 PolarHBondContact O-N 2.99Å; D475-E477 PolarHBondContact OD1-N 3.48Å; E477-R513 PolarHBondContact O-NH1 2.89Å; E477-R513 VanDerWaalsContact O-NH1 3.08Å; E477-K515 VanDerWaalsContact CB-NZ 3.32Å; E477-K515 VanDerWaalsContact CD-NZ 3.31Å; E477-K515 IonicContact OE2-NZ 3.19Å; E477-K515 PolarHBondContact OE2-NZ 3.2Å
478E92.7Very high94.1Very high16 Ų1631 Ų318%0.07518%0.177CC..  trans-113.9124.5172.4-171.8176.6-168.500109V472 S473 S511 K512 R513 K515 L518V472-E478 WeakPolarHBondContact CA-O 3.49Å; S473-E478 PolarHBondContact N-O 2.88Å; S473-E478 PolarHBondContact OG-N 2.97Å; S473-E478 PolarHBondContact OG-O 3.45Å; E478-S511 WeakPolarHBondContact OE2-CB 3.32Å; E478-S511 PolarHBondContact OE2-OG 2.75Å; E478-K512 PolarHBondContact OE1-N 3.5Å; E478-R513 HydrophobicContact CG-CG 4.46Å; E478-K515 HydrophobicContact CB-CD 4.36Å; E478-L518 HydrophobicContact CB-CD2 4.17Å; E478-L518 HydrophobicContact CG-CD1 4.2Å; E478-L518 HydrophobicContact CG-CD2 4.17Å
479I94.3Very high94.1Very high53 Ų5334 Ų3427%0.27219%0.191SC..EExtended strand (participates in β ladder)trans-130.7125.2179.7-59164.7000107.5Y167 W416 L470 W471 V472Y167-I479 HydrophobicContact CE2-CG2 4.4Å; W416-I479 HydrophobicContact CH2-CD1 4.13Å; L470-I479 HydrophobicContact CB-CG2 4.36Å; L470-I479 HydrophobicContact CD2-CG2 3.71Å; L470-I479 HydrophobicContact CG-CG2 4.47Å; W471-I479 CarbonylContact O-C 3.58Å; W471-I479 WeakPolarHBondContact O-CA 3.49Å; V472-I479 HydrophobicContact CG1-CG1 4.03Å; V472-I479 HydrophobicContact CG2-CG1 4.06Å; V472-I479 HydrophobicContact CG2-CG2 4.18Å
480V95.9Very high94Very high37 Ų3741.9 Ų41.922%0.22423%0.228CC..EExtended strand (participates in β ladder)trans-111.6117.8173.3175.80000108.2W471 V482 L491 L518W471-V480 HydrophobicContact CB-CB 4.42Å; W471-V480 PolarHBondContact N-O 3.28Å; W471-V480 PolarHBondContact O-N 2.77Å; V480-V482 HydrophobicContact CG1-CG2 4.34Å; V480-L491 HydrophobicContact CG1-CD1 4.12Å; V480-L518 HydrophobicContact CB-CD1 4.18Å; V480-L518 HydrophobicContact CG2-CD1 3.49Å; V480-L518 VanDerWaalsContact CG2-CD1 3.49Å
481C97.2Very high93.9Very high10 Ų1044.3 Ų44.37%0.06824%0.241CC..EExtended strand (participates in β ladder)trans-94.9109.3174.5-171.10000110.3K164 Y167 P469 L470K164-C481 WeakPolarHBondContact CE-O 3.4Å; Y167-C481 HydrophobicContact CD1-CB 3.61Å; Y167-C481 HydrophobicContact CD2-CB 4.49Å; Y167-C481 HydrophobicContact CE1-CB 3.94Å; Y167-C481 HydrophobicContact CG-CB 3.92Å; P469-C481 WeakPolarHBondContact O-CA 3.45Å; L470-C481 HydrophobicContact CD2-CB 3.6Å
482V97.4Very high93.7Very high0 Ų045.6 Ų45.60%025%0.249CC..  trans-83.6140.5177.9-1780000109.6W160 P469 W471 V480 S484 E487 L488 L491W160-V482 HydrophobicContact CE3-CB 4.49Å; W160-V482 HydrophobicContact CE3-CG1 4.12Å; W160-V482 HydrophobicContact CZ3-CB 4.34Å; W160-V482 HydrophobicContact CZ3-CG1 3.94Å; P469-V482 HydrophobicContact CB-CB 4.26Å; P469-V482 VanDerWaalsContact CB-O 3.25Å; P469-V482 WeakPolarHBondContact CB-O 3.38Å; P469-V482 VanDerWaalsContact CG-O 3.26Å; P469-V482 WeakPolarHBondContact CG-O 3.48Å; P469-V482 PolarHBondContact O-N 3.28Å; W471-V482 HydrophobicContact CD2-CG2 4.34Å; W471-V482 HydrophobicContact CE3-CB 4.15Å; W471-V482 HydrophobicContact CE3-CG2 3.46Å; W471-V482 VanDerWaalsContact CE3-CG2 3.46Å; W471-V482 HydrophobicContact CH2-CG2 4.38Å; W471-V482 HydrophobicContact CZ3-CB 3.71Å; W471-V482 HydrophobicContact CZ3-CG2 3.49Å; W471-V482 VanDerWaalsContact CZ3-CG2 3.49Å; V480-V482 HydrophobicContact CG1-CG2 4.34Å; V482-S484 WeakPolarHBondContact CG1-O 3.18Å; V482-E487 HydrophobicContact CG1-CB 4.12Å; V482-E487 HydrophobicContact CG1-CG 4.08Å; V482-L488 HydrophobicContact CG1-CB 3.93Å; V482-L488 HydrophobicContact CG1-CD1 4.44Å; V482-L488 HydrophobicContact CG2-CD1 4.42Å; V482-L491 HydrophobicContact CG2-CD1 3.9Å
483G97Very high93.6Very high4 Ų448.4 Ų48.44%0.04128%0.28CS..  trans-121.6-4.7-174.800000114.9W161 E487W161-G483 WeakPolarHBondContact CA-O 3.46Å; W161-G483 PolarHBondContact N-O 3.38Å; G483-E487 PolarHBondContact N-OE2 3.43Å
484S97.5Very high93.5Very high18 Ų1850.5 Ų50.513%0.12630%0.295CS..  trans-154.416117866.90000111.9E157 V482 A486 E487 L488 F543E157-S484 WeakPolarHBondContact OE1-CA 3.4Å; E157-S484 WeakPolarHBondContact OE1-CB 3.11Å; V482-S484 WeakPolarHBondContact CG1-O 3.18Å; S484-A486 VanDerWaalsContact C-N 3.34Å; S484-E487 PolarHBondContact O-N 2.92Å; S484-E487 VanDerWaalsContact OG-CB 3.3Å; S484-E487 WeakPolarHBondContact OG-CB 3.48Å; S484-E487 PolarHBondContact OG-N 3.25Å; S484-L488 PolarHBondContact O-N 3.34Å; S484-L488 VanDerWaalsContact O-N 3.07Å; S484-F543 VanDerWaalsContact CB-CE1 3.48Å
485I96.5Very high93.7Very high25 Ų2553.1 Ų53.113%0.12830%0.3CS..Hα-helixtrans-60.6-47.1171.1-66.5168.7000108.8P153 E157 E487 L488 E489 V496 L499P153-I485 HydrophobicContact CB-CD1 4.46Å; E157-I485 HydrophobicContact CB-CD1 4.26Å; E157-I485 HydrophobicContact CB-CG1 4.36Å; E157-I485 HydrophobicContact CG-CD1 4.27Å; E157-I485 HydrophobicContact CG-CG1 3.98Å; E157-I485 WeakPolarHBondContact OE1-CB 3.44Å; E157-I485 PolarHBondContact OE1-N 2.76Å; I485-E487 VanDerWaalsContact C-N 3.3Å; I485-E487 PolarHBondContact O-N 3.16Å; I485-L488 CarbonylContact O-C 3.55Å; I485-L488 WeakPolarHBondContact O-CA 3.48Å; I485-L488 WeakPolarHBondContact O-CB 3.47Å; I485-L488 PolarHBondContact O-N 3.38Å; I485-E489 HydrophobicContact CG2-CG 4.11Å; I485-E489 WeakPolarHBondContact O-CG 3.35Å; I485-E489 PolarHBondContact O-N 2.89Å; I485-V496 HydrophobicContact CG2-CB 4.37Å; I485-V496 WeakPolarHBondContact CG2-O 3.37Å; I485-L499 HydrophobicContact CD1-CD1 4.21Å; I485-L499 HydrophobicContact CD1-CG 4.34Å; I485-L499 HydrophobicContact CG1-CD1 3.94Å; I485-L499 HydrophobicContact CG1-CD2 3.94Å; I485-L499 HydrophobicContact CG1-CG 4.1Å
486A96.3Very high94.1Very high63 Ų6349.4 Ų49.452%0.52128%0.28SS..Hα-helixtrans-58-39.617900000113.1S484 Q490S484-A486 VanDerWaalsContact C-N 3.34Å; A486-Q490 WeakPolarHBondContact O-CB 3.41Å; A486-Q490 PolarHBondContact O-N 3.26Å
487E96.8Very high94.5Very high45 Ų4553.9 Ų53.921%0.2131%0.305CS..Hα-helixtrans-66.8-39.7174.2-179.6177.2-154.800111.5K164 V482 G483 S484 I485 Q490 L491K164-E487 IonicContact NZ-OE1 3.97Å; K164-E487 PolarHBondContact NZ-OE1 2.95Å; K164-E487 IonicContact NZ-OE2 2.91Å; K164-E487 PolarHBondContact NZ-OE2 2.85Å; V482-E487 HydrophobicContact CG1-CB 4.12Å; V482-E487 HydrophobicContact CG1-CG 4.08Å; G483-E487 PolarHBondContact N-OE2 3.43Å; S484-E487 PolarHBondContact O-N 2.92Å; S484-E487 VanDerWaalsContact OG-CB 3.3Å; S484-E487 WeakPolarHBondContact OG-CB 3.48Å; S484-E487 PolarHBondContact OG-N 3.25Å; I485-E487 VanDerWaalsContact C-N 3.3Å; I485-E487 PolarHBondContact O-N 3.16Å; E487-Q490 PolarHBondContact O-N 3.23Å; E487-L491 HydrophobicContact CG-CD1 3.94Å; E487-L491 HydrophobicContact CG-CG 4.49Å; E487-L491 WeakPolarHBondContact O-CB 3.46Å; E487-L491 VanDerWaalsContact O-CG 3.25Å; E487-L491 WeakPolarHBondContact O-CG 3.48Å; E487-L491 PolarHBondContact O-N 3.19Å
488L96.3Very high94.9Very high0 Ų049.1 Ų49.10%028%0.283CS..Hα-helixtrans-63.2-46.6176.1-172.260.7000111.9W160 W471 V482 S484 I485 Q490 L491 T492 V496 L499 V504 L507W160-L488 HydrophobicContact CH2-CD2 3.92Å; W160-L488 HydrophobicContact CZ3-CD2 3.94Å; W471-L488 HydrophobicContact CH2-CD1 3.45Å; W471-L488 VanDerWaalsContact CH2-CD1 3.45Å; W471-L488 HydrophobicContact CH2-CD2 4.28Å; W471-L488 HydrophobicContact CZ2-CD1 3.41Å; W471-L488 VanDerWaalsContact CZ2-CD1 3.41Å; W471-L488 HydrophobicContact CZ3-CD1 4.15Å; V482-L488 HydrophobicContact CG1-CB 3.93Å; V482-L488 HydrophobicContact CG1-CD1 4.44Å; V482-L488 HydrophobicContact CG2-CD1 4.42Å; S484-L488 PolarHBondContact O-N 3.34Å; S484-L488 VanDerWaalsContact O-N 3.07Å; I485-L488 CarbonylContact O-C 3.55Å; I485-L488 WeakPolarHBondContact O-CA 3.48Å; I485-L488 WeakPolarHBondContact O-CB 3.47Å; I485-L488 PolarHBondContact O-N 3.38Å; L488-Q490 VanDerWaalsContact C-N 3.3Å; L488-Q490 PolarHBondContact O-N 2.97Å; L488-L491 PolarHBondContact O-N 3.42Å; L488-T492 HydrophobicContact CD1-CG2 3.7Å; L488-T492 HydrophobicContact CG-CG2 4.22Å; L488-T492 WeakPolarHBondContact O-CB 3.36Å; L488-T492 VanDerWaalsContact O-CG2 3.29Å; L488-T492 WeakPolarHBondContact O-CG2 3.41Å; L488-T492 PolarHBondContact O-N 3.27Å; L488-T492 PolarHBondContact O-OG1 3.24Å; L488-V496 HydrophobicContact CD2-CG1 4.37Å; L488-V496 HydrophobicContact CD2-CG2 4.02Å; L488-V496 HydrophobicContact CG-CG2 4.47Å; L488-L499 HydrophobicContact CD2-CD2 4.37Å; L488-V504 HydrophobicContact CD2-CG1 4.36Å; L488-L507 HydrophobicContact CD2-CD1 3.99Å; L488-L507 HydrophobicContact CG-CD1 4.4Å
489E96.2Very high95.1Very high63 Ų6348.4 Ų48.429%0.29428%0.28SS..Hα-helixtrans-61.7-40.7178.1-64.5-171.3145.200110.8I485 L491 G493 S494 K495 V496I485-E489 HydrophobicContact CG2-CG 4.11Å; I485-E489 WeakPolarHBondContact O-CG 3.35Å; I485-E489 PolarHBondContact O-N 2.89Å; E489-L491 PolarHBondContact O-N 3.34Å; E489-G493 VanDerWaalsContact O-CA 3.27Å; E489-G493 WeakPolarHBondContact O-CA 3.46Å; E489-G493 PolarHBondContact O-N 3.1Å; E489-S494 WeakPolarHBondContact CA-O 3.27Å; E489-S494 WeakPolarHBondContact CG-O 3.26Å; E489-K495 VanDerWaalsContact OE1-CA 3.31Å; E489-K495 WeakPolarHBondContact OE1-CA 3.49Å; E489-K495 VanDerWaalsContact OE1-CG 3.23Å; E489-K495 WeakPolarHBondContact OE1-CG 3.35Å; E489-V496 HydrophobicContact CG-CG2 4.49Å; E489-V496 PolarHBondContact OE1-N 2.61Å
490Q95.8Very high95.2Very high166 Ų16645.9 Ų45.978%0.77627%0.267SS*.Hα-helixtrans-62.7-40.8175.1-174.9-177.7-000112.5A486 E487 L488A486-Q490 WeakPolarHBondContact O-CB 3.41Å; A486-Q490 PolarHBondContact O-N 3.26Å; E487-Q490 PolarHBondContact O-N 3.23Å; L488-Q490 VanDerWaalsContact C-N 3.3Å; L488-Q490 PolarHBondContact O-N 2.97Å
491L94.5Very high95.2Very high51 Ų5145.3 Ų45.327%0.26726%0.261SS..Hα-helixtrans-78.6-29.1-176.9-71.8172.1000113.6V480 V482 E487 L488 E489 V509V480-L491 HydrophobicContact CG1-CD1 4.12Å; V482-L491 HydrophobicContact CG2-CD1 3.9Å; E487-L491 HydrophobicContact CG-CD1 3.94Å; E487-L491 HydrophobicContact CG-CG 4.49Å; E487-L491 WeakPolarHBondContact O-CB 3.46Å; E487-L491 VanDerWaalsContact O-CG 3.25Å; E487-L491 WeakPolarHBondContact O-CG 3.48Å; E487-L491 PolarHBondContact O-N 3.19Å; L488-L491 PolarHBondContact O-N 3.42Å; E489-L491 PolarHBondContact O-N 3.34Å; L491-V509 HydrophobicContact CB-CG1 4.09Å; L491-V509 HydrophobicContact CB-CG2 3.96Å; L491-V509 HydrophobicContact CD1-CG1 4.43Å; L491-V509 HydrophobicContact CD1-CG2 4.48Å; L491-V509 HydrophobicContact CD2-CG1 4.17Å; L491-V509 HydrophobicContact CG-CG1 4.47Å
492T93.7Very high95Very high27 Ų2746.8 Ų46.817%0.16627%0.267CS..Hα-helixtrans-106.4-17.3-173.263.90000113.1L488 S494 L507 V509L488-T492 HydrophobicContact CD1-CG2 3.7Å; L488-T492 HydrophobicContact CG-CG2 4.22Å; L488-T492 WeakPolarHBondContact O-CB 3.36Å; L488-T492 VanDerWaalsContact O-CG2 3.29Å; L488-T492 WeakPolarHBondContact O-CG2 3.41Å; L488-T492 PolarHBondContact O-N 3.27Å; L488-T492 PolarHBondContact O-OG1 3.24Å; T492-S494 PolarHBondContact O-N 3Å; T492-S494 PolarHBondContact OG1-N 3.44Å; T492-L507 HydrophobicContact CG2-CB 4.03Å; T492-V509 HydrophobicContact CG2-CG2 4.06Å
493G91.7Very high94.9Very high72 Ų7249.7 Ų49.774%0.74228%0.282SS*.SBendtrans66.95.9-17200000114.3E489E489-G493 VanDerWaalsContact O-CA 3.27Å; E489-G493 WeakPolarHBondContact O-CA 3.46Å; E489-G493 PolarHBondContact O-N 3.1Å
494S91.8Very high94.9Very high50 Ų5049.5 Ų49.535%0.3528%0.28SS..  trans-106.8138.2-176-600000110.2E489 T492E489-S494 WeakPolarHBondContact CA-O 3.27Å; E489-S494 WeakPolarHBondContact CG-O 3.26Å; T492-S494 PolarHBondContact O-N 3Å; T492-S494 PolarHBondContact OG1-N 3.44Å
495K92.7Very high94.7Very high186 Ų18651 Ų5181%0.80929%0.287SS*.  trans-76.8134175.9-161.7178.1-176.5177.20110.3E489E489-K495 VanDerWaalsContact OE1-CA 3.31Å; E489-K495 WeakPolarHBondContact OE1-CA 3.49Å; E489-K495 VanDerWaalsContact OE1-CG 3.23Å; E489-K495 WeakPolarHBondContact OE1-CG 3.35Å
496V91.8Very high94.6Very high11 Ų1155.3 Ų55.37%0.06731%0.306CS..  trans-128.7119.5-174.6-175.60000110.5I485 L488 E489 D498 L499 V504 L507I485-V496 HydrophobicContact CG2-CB 4.37Å; I485-V496 WeakPolarHBondContact CG2-O 3.37Å; L488-V496 HydrophobicContact CD2-CG1 4.37Å; L488-V496 HydrophobicContact CD2-CG2 4.02Å; L488-V496 HydrophobicContact CG-CG2 4.47Å; E489-V496 HydrophobicContact CG-CG2 4.49Å; E489-V496 PolarHBondContact OE1-N 2.61Å; V496-D498 WeakPolarHBondContact CG1-O 3.35Å; V496-L499 HydrophobicContact CG1-CD2 4.04Å; V496-V504 HydrophobicContact CG1-CG1 4.37Å; V496-L507 HydrophobicContact CG2-CD1 3.56Å
497T92.8Very high94.5Very high113 Ų11353.1 Ų53.169%0.69329%0.286SS*.SBendtrans-107.7-16.9179.654.80000113.6P153P153-T497 VanDerWaalsContact CG-O 3.26Å; P153-T497 WeakPolarHBondContact CG-O 3.44Å
498D94.2Very high94.4Very high22 Ų2253.8 Ų53.812%0.11829%0.293CS..  trans-141.3131.1-177.1-176.8-35.1000107.6R121 V496 H500 N503R121-D498 IonicContact CZ-OD2 2.92Å; R121-D498 IonicContact NH1-OD2 3.39Å; R121-D498 PolarHBondContact NH1-OD2 3.04Å; R121-D498 IonicContact NH2-OD1 2.62Å; R121-D498 IonicContact NH2-OD2 2.92Å; R121-D498 PolarHBondContact NH2-OD2 3.43Å; V496-D498 WeakPolarHBondContact CG1-O 3.35Å; D498-H500 WeakPolarHBondContact OD1-CB 3.49Å; D498-H500 IonicContact OD1-CE1 3.17Å; D498-H500 IonicContact OD1-CG 2.64Å; D498-H500 PolarHBondContact OD1-N 2.96Å; D498-H500 IonicContact OD1-ND1 3.95Å; D498-H500 PolarHBondContact OD1-ND1 2.95Å; D498-H500 IonicContact OD2-ND1 3.58Å; D498-N503 VanDerWaalsContact CB-ND2 3.33Å; D498-N503 WeakPolarHBondContact CB-ND2 3.21Å; D498-N503 VanDerWaalsContact O-CB 3.24Å; D498-N503 WeakPolarHBondContact O-CB 3.37Å; D498-N503 PolarHBondContact OD1-ND2 3.12Å
499L96.4Very high94.3Very high0 Ų054 Ų540%029%0.294CS..  trans-941.6-173.1-71.6178.5000113.7M156 E157 W160 P467 I485 L488 V496 V504M156-L499 HydrophobicContact CB-CB 4.29Å; M156-L499 HydrophobicContact CB-CD1 3.86Å; M156-L499 HydrophobicContact CE-CB 3.69Å; M156-L499 HydrophobicContact SD-CB 4.1Å; E157-L499 HydrophobicContact CB-CD1 4.17Å; W160-L499 HydrophobicContact CD2-CD1 4.25Å; W160-L499 HydrophobicContact CE3-CD1 4.49Å; W160-L499 HydrophobicContact CE3-CD2 4.41Å; W160-L499 HydrophobicContact CH2-CD2 3.57Å; W160-L499 HydrophobicContact CZ2-CB 4.42Å; W160-L499 HydrophobicContact CZ2-CD1 4.49Å; W160-L499 HydrophobicContact CZ2-CD2 3.91Å; W160-L499 HydrophobicContact CZ3-CD2 3.86Å; P467-L499 WeakPolarHBondContact CD-O 3.36Å; P467-L499 WeakPolarHBondContact CG-O 3.16Å; I485-L499 HydrophobicContact CD1-CD1 4.21Å; I485-L499 HydrophobicContact CD1-CG 4.34Å; I485-L499 HydrophobicContact CG1-CD1 3.94Å; I485-L499 HydrophobicContact CG1-CD2 3.94Å; I485-L499 HydrophobicContact CG1-CG 4.1Å; L488-L499 HydrophobicContact CD2-CD2 4.37Å; V496-L499 HydrophobicContact CG1-CD2 4.04Å; L499-V504 HydrophobicContact CD2-CG1 4.2Å
500H96.6Very high94.2Very high0 Ų057.4 Ų57.40%031%0.31CS..SBendtrans-66.9158.8178.8-67.680.3000112.1H88 R121 L151 M156 W464 D498 E502 N503 V504H88-H500 AromaticContact CE1-NE2 3.79Å; H88-H500 AromaticContact NE2-CD2 3.87Å; H88-H500 AromaticContact NE2-CE1 3.91Å; H88-H500 AromaticContact NE2-NE2 3.01Å; H88-H500 PolarHBondContact NE2-NE2 2.96Å; R121-H500 PolarHBondContact NH2-CE1 3.49Å; R121-H500 PolarHBondContact NH2-ND1 2.98Å; L151-H500 PolarHBondContact O-CE1 3.14Å; M156-H500 VanDerWaalsContact SD-CE1 3.55Å; W464-H500 AromaticContact CE3-CD2 3.71Å; W464-H500 AromaticContact CH2-CD2 3.72Å; W464-H500 AromaticContact CH2-NE2 3.3Å; W464-H500 VanDerWaalsContact CH2-NE2 3.3Å; W464-H500 WeakPolarHBondContact CH2-NE2 3.5Å; W464-H500 AromaticContact CZ2-NE2 3.99Å; W464-H500 AromaticContact CZ3-CD2 3.23Å; W464-H500 WeakPolarHBondContact CZ3-CD2 3.45Å; W464-H500 AromaticContact CZ3-NE2 3.38Å; W464-H500 WeakPolarHBondContact CZ3-NE2 3.36Å; D498-H500 WeakPolarHBondContact OD1-CB 3.49Å; D498-H500 IonicContact OD1-CE1 3.17Å; D498-H500 IonicContact OD1-CG 2.64Å; D498-H500 PolarHBondContact OD1-N 2.96Å; D498-H500 IonicContact OD1-ND1 3.95Å; D498-H500 PolarHBondContact OD1-ND1 2.95Å; D498-H500 IonicContact OD2-ND1 3.58Å; H500-E502 VanDerWaalsContact C-N 3.29Å; H500-E502 VanDerWaalsContact CB-OE2 3.31Å; H500-E502 WeakPolarHBondContact CB-OE2 3.27Å; H500-E502 PolarHBondContact O-N 2.93Å; H500-E502 VanDerWaalsContact O-N 3.15Å; H500-N503 WeakPolarHBondContact O-CB 3.38Å; H500-N503 PolarHBondContact O-N 3.4Å; H500-V504 PolarHBondContact O-N 3.45Å
501R95.3Very high94Very high26 Ų2650.4 Ų50.410%0.09828%0.279CS..Hα-helixtrans-49.9-43.9-171.9-74.2-166.761.9-173.9-6.2114.2I113 R462 Y463 P467 N503 V504 D505 V524I113-R501 HydrophobicContact CG2-CB 4.27Å; R462-R501 PolarHBondContact O-NH1 3.19Å; Y463-R501 WeakPolarHBondContact O-CD 3.47Å; P467-R501 HydrophobicContact CB-CG 4.44Å; P467-R501 HydrophobicContact CG-CG 3.83Å; R501-N503 PolarHBondContact O-N 3.31Å; R501-V504 PolarHBondContact O-N 3.15Å; R501-D505 IonicContact CZ-OD2 3.83Å; R501-D505 IonicContact NE-OD1 3.73Å; R501-D505 IonicContact NE-OD2 3.53Å; R501-D505 PolarHBondContact NE-OD2 3.33Å; R501-D505 IonicContact NH2-OD2 3.08Å; R501-D505 PolarHBondContact NH2-OD2 3.22Å; R501-D505 VanDerWaalsContact O-CB 3.26Å; R501-D505 WeakPolarHBondContact O-CB 3.48Å; R501-D505 PolarHBondContact O-N 3.37Å; R501-V524 HydrophobicContact CG-CG1 3.9Å
502E94.3Very high93.8Very high41 Ų4156.9 Ų56.919%0.19231%0.305CS..Hα-helixtrans-60.6-17.218064.2-89.1-149.600114.1A114 N117 H500 Q506A114-E502 HydrophobicContact CB-CB 3.9Å; A114-E502 HydrophobicContact CB-CG 4.29Å; N117-E502 PolarHBondContact ND2-OE2 3.43Å; H500-E502 VanDerWaalsContact C-N 3.29Å; H500-E502 VanDerWaalsContact CB-OE2 3.31Å; H500-E502 WeakPolarHBondContact CB-OE2 3.27Å; H500-E502 PolarHBondContact O-N 2.93Å; H500-E502 VanDerWaalsContact O-N 3.15Å; E502-Q506 PolarHBondContact O-NE2 2.99Å; E502-Q506 PolarHBondContact O-OE1 2.87Å
503N95.1Very high93.5Very high60 Ų6062.7 Ų62.732%0.32132%0.324SS..Hα-helixtrans-106.8-22.5-178.4-58.5-43.9000113D498 H500 R501 Q506D498-N503 VanDerWaalsContact CB-ND2 3.33Å; D498-N503 WeakPolarHBondContact CB-ND2 3.21Å; D498-N503 VanDerWaalsContact O-CB 3.24Å; D498-N503 WeakPolarHBondContact O-CB 3.37Å; D498-N503 PolarHBondContact OD1-ND2 3.12Å; H500-N503 WeakPolarHBondContact O-CB 3.38Å; H500-N503 PolarHBondContact O-N 3.4Å; R501-N503 PolarHBondContact O-N 3.31Å; N503-Q506 VanDerWaalsContact C-NE2 3.29Å; N503-Q506 PolarHBondContact O-NE2 2.85Å; N503-Q506 VanDerWaalsContact O-NE2 3.11Å
504V95.8Very high93.2Very high0 Ų062.7 Ų62.70%033%0.325CS..Hα-helixtrans-113.9-20.3-173.6-58.30000114.7P467 L488 V496 L499 H500 R501 Q506 L507P467-V504 HydrophobicContact CB-CG2 4.03Å; P467-V504 HydrophobicContact CG-CG2 3.91Å; L488-V504 HydrophobicContact CD2-CG1 4.36Å; V496-V504 HydrophobicContact CG1-CG1 4.37Å; L499-V504 HydrophobicContact CD2-CG1 4.2Å; H500-V504 PolarHBondContact O-N 3.45Å; R501-V504 PolarHBondContact O-N 3.15Å; V504-Q506 VanDerWaalsContact C-N 3.27Å; V504-Q506 PolarHBondContact O-N 3.19Å; V504-L507 HydrophobicContact CG1-CD1 4.46Å; V504-L507 PolarHBondContact O-N 3.04Å; V504-L507 VanDerWaalsContact O-N 3.14Å
505D94Very high92.7Very high50 Ų5062.8 Ų62.827%0.26732%0.319SS..THydrogen-bonded Turntrans-64.5-31.1-176-76.46.3000112.4R501 R520R501-D505 IonicContact CZ-OD2 3.83Å; R501-D505 IonicContact NE-OD1 3.73Å; R501-D505 IonicContact NE-OD2 3.53Å; R501-D505 PolarHBondContact NE-OD2 3.33Å; R501-D505 IonicContact NH2-OD2 3.08Å; R501-D505 PolarHBondContact NH2-OD2 3.22Å; R501-D505 VanDerWaalsContact O-CB 3.26Å; R501-D505 WeakPolarHBondContact O-CB 3.48Å; R501-D505 PolarHBondContact O-N 3.37Å; D505-R520 IonicContact OD1-CZ 2.85Å; D505-R520 IonicContact OD1-NE 3.87Å; D505-R520 PolarHBondContact OD1-NE 2.96Å; D505-R520 IonicContact OD1-NH2 3.67Å; D505-R520 PolarHBondContact OD1-NH2 2.81Å; D505-R520 IonicContact OD2-NH2 3.08Å
506Q93.7Very high92.6Very high115 Ų11556 Ų5654%0.53730%0.301SS..THydrogen-bonded Turntrans-78.4-16.4177.460.7-87.720.500114.3E502 N503 V504E502-Q506 PolarHBondContact O-NE2 2.99Å; E502-Q506 PolarHBondContact O-OE1 2.87Å; N503-Q506 VanDerWaalsContact C-NE2 3.29Å; N503-Q506 PolarHBondContact O-NE2 2.85Å; N503-Q506 VanDerWaalsContact O-NE2 3.11Å; V504-Q506 VanDerWaalsContact C-N 3.27Å; V504-Q506 PolarHBondContact O-N 3.19Å
507L95.3Very high92.6Very high18 Ų1857.5 Ų57.59%0.09431%0.311CS..  trans-78.7129.8-175.2-59179.4000110.1W471 L488 T492 V496 V504W471-L507 PolarHBondContact NE1-O 3.16Å; L488-L507 HydrophobicContact CD2-CD1 3.99Å; L488-L507 HydrophobicContact CG-CD1 4.4Å; T492-L507 HydrophobicContact CG2-CB 4.03Å; V496-L507 HydrophobicContact CG2-CD1 3.56Å; V504-L507 HydrophobicContact CG1-CD1 4.46Å; V504-L507 PolarHBondContact O-N 3.04Å; V504-L507 VanDerWaalsContact O-N 3.14Å
508T95.4Very high92.8Very high59 Ų5952.1 Ų52.136%0.36228%0.278SS..EExtended strand (participates in β ladder)trans-118.5147.5-178.558.40000111.2L518 R519T508-L518 WeakPolarHBondContact CA-O 3.5Å; T508-R519 HydrophobicContact CG2-CG 4.3Å
509V94Very high92.9Very high4 Ų457.2 Ų57.22%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-112134.2178.6175.80000108.6W471 L491 T492 S511 L518W471-V509 HydrophobicContact CB-CB 4.49Å; W471-V509 HydrophobicContact CB-CG2 4.33Å; W471-V509 HydrophobicContact CD2-CG2 4.24Å; W471-V509 HydrophobicContact CG-CB 4.37Å; W471-V509 HydrophobicContact CG-CG2 3.81Å; L491-V509 HydrophobicContact CB-CG1 4.09Å; L491-V509 HydrophobicContact CB-CG2 3.96Å; L491-V509 HydrophobicContact CD1-CG1 4.43Å; L491-V509 HydrophobicContact CD1-CG2 4.48Å; L491-V509 HydrophobicContact CD2-CG1 4.17Å; L491-V509 HydrophobicContact CG-CG1 4.47Å; T492-V509 HydrophobicContact CG2-CG2 4.06Å; V509-S511 PolarHBondContact O-N 3.44Å; V509-L518 HydrophobicContact CB-CB 4.33Å; V509-L518 HydrophobicContact CG1-CD1 4.38Å; V509-L518 PolarHBondContact N-O 2.83Å; V509-L518 VanDerWaalsContact N-O 3.13Å; V509-L518 PolarHBondContact O-N 2.97Å
510Q92.6Very high92.9Very high135 Ų13558.1 Ų58.163%0.63130%0.298SS*.EExtended strand (participates in β ladder)trans-68.8129.6175.8-71.7-65.9-16.800110.8
511S93.1Very high92.8Very high18 Ų1859 Ų5913%0.12630%0.303CS..  trans-64.1134.3176.9167.50000110.7E478 V509 R513 G514 K515 G516E478-S511 WeakPolarHBondContact OE2-CB 3.32Å; E478-S511 PolarHBondContact OE2-OG 2.75Å; V509-S511 PolarHBondContact O-N 3.44Å; S511-R513 VanDerWaalsContact C-N 3.3Å; S511-R513 PolarHBondContact OG-N 2.79Å; S511-G514 PolarHBondContact OG-N 3.22Å; S511-G514 VanDerWaalsContact OG-N 3.16Å; S511-K515 WeakPolarHBondContact OG-CB 3.24Å; S511-K515 PolarHBondContact OG-N 3.44Å; S511-G516 WeakPolarHBondContact CB-O 3.48Å; S511-G516 PolarHBondContact N-O 2.8Å
512K89.3Confident92.6Very high188 Ų18861.1 Ų61.182%0.81732%0.32SS*.THydrogen-bonded Turntrans-83.4-11.6170.9-68.6-173.1178.1-1800112.3E478E478-K512 PolarHBondContact OE1-N 3.5Å
513R88.7Confident92.6Very high148 Ų14860 Ų6056%0.55832%0.315SS*.THydrogen-bonded Turntrans-102.211.2179.8-59.4-179.166.4-164.9-3113.3E477 E478 S511 K515E477-R513 PolarHBondContact O-NH1 2.89Å; E477-R513 VanDerWaalsContact O-NH1 3.08Å; E478-R513 HydrophobicContact CG-CG 4.46Å; S511-R513 VanDerWaalsContact C-N 3.3Å; S511-R513 PolarHBondContact OG-N 2.79Å; R513-K515 VanDerWaalsContact C-N 3.32Å; R513-K515 HydrophobicContact CB-CG 4.27Å; R513-K515 PolarHBondContact O-N 2.76Å
514G83.7Confident92.5Very high73 Ų7357.3 Ų57.375%0.75330%0.301SS*.SBendtrans73.819.6178.800000114.5S511 G516S511-G514 PolarHBondContact OG-N 3.22Å; S511-G514 VanDerWaalsContact OG-N 3.16Å; G514-G516 PolarHBondContact O-N 3.17Å
515K81.8Confident92.4Very high52 Ų5257.4 Ų57.423%0.22630%0.301CS..  trans-89.226.4-178.4-59.1-167172.9-147.10113.7D475 E477 E478 S511 R513 V517D475-K515 IonicContact OD1-NZ 2.84Å; D475-K515 PolarHBondContact OD1-NZ 3.45Å; D475-K515 IonicContact OD2-NZ 3.85Å; D475-K515 PolarHBondContact OD2-NZ 3.33Å; E477-K515 VanDerWaalsContact CB-NZ 3.32Å; E477-K515 VanDerWaalsContact CD-NZ 3.31Å; E477-K515 IonicContact OE2-NZ 3.19Å; E477-K515 PolarHBondContact OE2-NZ 3.2Å; E478-K515 HydrophobicContact CB-CD 4.36Å; S511-K515 WeakPolarHBondContact OG-CB 3.24Å; S511-K515 PolarHBondContact OG-N 3.44Å; R513-K515 VanDerWaalsContact C-N 3.32Å; R513-K515 HydrophobicContact CB-CG 4.27Å; R513-K515 PolarHBondContact O-N 2.76Å; K515-V517 PolarHBondContact O-N 3.14Å
516G90.1Very high92.2Very high43 Ų4355.6 Ų55.644%0.44329%0.291SS..SBendtrans69.6-124-175.100000112.1S511 G514S511-G516 WeakPolarHBondContact CB-O 3.48Å; S511-G516 PolarHBondContact N-O 2.8Å; G514-G516 PolarHBondContact O-N 3.17Å
517V93.1Very high91.9Very high43 Ų4350.6 Ų50.626%0.26127%0.269SS..EExtended strand (participates in β ladder)trans-109.4138.9-177-630000111.3K515K515-V517 PolarHBondContact O-N 3.14Å
518L96Very high91.5Very high0 Ų053.3 Ų53.30%028%0.278CS..EExtended strand (participates in β ladder)trans-89.6139.5171.2-48.5177.8000108.9W471 V472 E478 V480 T508 V509W471-L518 HydrophobicContact CB-CB 3.89Å; V472-L518 WeakPolarHBondContact O-CA 3.4Å; E478-L518 HydrophobicContact CB-CD2 4.17Å; E478-L518 HydrophobicContact CG-CD1 4.2Å; E478-L518 HydrophobicContact CG-CD2 4.17Å; V480-L518 HydrophobicContact CB-CD1 4.18Å; V480-L518 HydrophobicContact CG2-CD1 3.49Å; V480-L518 VanDerWaalsContact CG2-CD1 3.49Å; T508-L518 WeakPolarHBondContact CA-O 3.5Å; V509-L518 HydrophobicContact CB-CB 4.33Å; V509-L518 HydrophobicContact CG1-CD1 4.38Å; V509-L518 PolarHBondContact N-O 2.83Å; V509-L518 VanDerWaalsContact N-O 3.13Å; V509-L518 PolarHBondContact O-N 2.97Å
519R96.7Very high91.5Very high129 Ų12950.5 Ų50.549%0.48726%0.261SS..EExtended strand (participates in β ladder)trans-117.1145.8178.7-63.5-177.7180112.2-2.3110.7W471 V472 D474 T508 I521W471-R519 CarbonylContact C-O 3.58Å; W471-R519 WeakPolarHBondContact CA-O 3.44Å; V472-R519 PolarHBondContact N-O 3.44Å; V472-R519 PolarHBondContact O-N 2.97Å; D474-R519 IonicContact OD1-NH1 3.84Å; D474-R519 PolarHBondContact OD1-NH1 3.04Å; D474-R519 IonicContact OD2-NH1 3.75Å; D474-R519 PolarHBondContact OD2-NH1 2.72Å; T508-R519 HydrophobicContact CG2-CG 4.3Å; R519-I521 PolarHBondContact O-N 3.42Å
520R96.3Very high91.5Very high18 Ų1850.3 Ų50.37%0.06826%0.26CS..EExtended strand (participates in β ladder)trans-61.4137.9174.8-161.7-167.772.578.22.9109.7I468 L470 W471 D505 P522 E523I468-R520 PolarHBondContact O-NH1 2.89Å; L470-R520 WeakPolarHBondContact O-CA 3.33Å; W471-R520 HydrophobicContact CD2-CB 4.37Å; W471-R520 HydrophobicContact CH2-CG 4.32Å; W471-R520 HydrophobicContact CZ2-CB 4.17Å; W471-R520 HydrophobicContact CZ2-CG 4.19Å; D505-R520 IonicContact OD1-CZ 2.85Å; D505-R520 IonicContact OD1-NE 3.87Å; D505-R520 PolarHBondContact OD1-NE 2.96Å; D505-R520 IonicContact OD1-NH2 3.67Å; D505-R520 PolarHBondContact OD1-NH2 2.81Å; D505-R520 IonicContact OD2-NH2 3.08Å; R520-P522 PolarHBondContact NH2-O 2.95Å; R520-P522 VanDerWaalsContact NH2-O 3.14Å; R520-E523 PolarHBondContact NH1-O 3.36Å
521I94.8Very high91.5Very high18 Ų1844 Ų449%0.09223%0.23CC..  trans-61150.1168.565.1172.8000110.3W416 I468 L470 V472 R519 E523W416-I521 HydrophobicContact CZ2-CD1 4.32Å; I468-I521 HydrophobicContact CB-CD1 3.89Å; I468-I521 HydrophobicContact CB-CG1 4.33Å; I468-I521 HydrophobicContact CD1-CD1 4.48Å; I468-I521 HydrophobicContact CG2-CD1 3.78Å; L470-I521 HydrophobicContact CB-CD1 4.01Å; L470-I521 HydrophobicContact CB-CG1 4.18Å; L470-I521 HydrophobicContact CB-CG2 4.32Å; L470-I521 HydrophobicContact CD1-CD1 4.03Å; L470-I521 HydrophobicContact CG-CD1 4.46Å; L470-I521 PolarHBondContact O-N 3.48Å; V472-I521 HydrophobicContact CB-CG2 4.25Å; V472-I521 HydrophobicContact CG2-CG2 3.44Å; V472-I521 VanDerWaalsContact CG2-CG2 3.44Å; R519-I521 PolarHBondContact O-N 3.42Å; I521-E523 VanDerWaalsContact C-N 3.35Å; I521-E523 VanDerWaalsContact CB-OE2 3.31Å; I521-E523 WeakPolarHBondContact CB-OE2 3.27Å; I521-E523 PolarHBondContact O-N 2.74Å
522P91.8Very high91.6Very high72 Ų7243.1 Ų43.147%0.46823%0.225SC..SBendtrans-74.1-20.5-174.127.8-35.2000114.6R520R520-P522 PolarHBondContact NH2-O 2.95Å; R520-P522 VanDerWaalsContact NH2-O 3.14Å
523E92.7Very high92Very high18 Ų1834.2 Ų34.28%0.08419%0.186CC..  trans-70.3151.1-170.6-59.590.9156.800114.2R460 I468 R520 I521R460-E523 WeakPolarHBondContact O-CA 3.3Å; I468-E523 HydrophobicContact CD1-CB 4.17Å; I468-E523 PolarHBondContact N-O 3.42Å; R520-E523 PolarHBondContact NH1-O 3.36Å; I521-E523 VanDerWaalsContact C-N 3.35Å; I521-E523 VanDerWaalsContact CB-OE2 3.31Å; I521-E523 WeakPolarHBondContact CB-OE2 3.27Å; I521-E523 PolarHBondContact O-N 2.74Å
524V94.2Very high92.4Very high2 Ų227.2 Ų27.21%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-106.7165.4168.9-58.60000110.3R460 R462 T466 R501R460-V524 HydrophobicContact CB-CG2 4.1Å; R460-V524 PolarHBondContact N-O 3.46Å; R460-V524 PolarHBondContact O-N 2.89Å; R462-V524 HydrophobicContact CB-CG2 3.93Å; T466-V524 CarbonylContact O-C 3.45Å; T466-V524 WeakPolarHBondContact O-CA 3.35Å; T466-V524 WeakPolarHBondContact O-CB 3.41Å; R501-V524 HydrophobicContact CG-CG1 3.9Å
525F94.1Very high93Very high3 Ų323.8 Ų23.81%0.01312%0.124CC..EExtended strand (participates in β ladder)trans-68.6153.2175.1-78-72.9000112.7V159 F163 I458 T466 I468 F529 E530V159-F525 HydrophobicContact CG1-CD2 4.09Å; V159-F525 HydrophobicContact CG1-CE2 4.08Å; F163-F525 HydrophobicContact CB-CE1 4.24Å; F163-F525 HydrophobicContact CB-CZ 3.66Å; F163-F525 HydrophobicContact CD1-CZ 4.07Å; F163-F525 AromaticContact CD2-CE1 3.52Å; F163-F525 HydrophobicContact CD2-CE1 3.52Å; F163-F525 AromaticContact CD2-CZ 3.6Å; F163-F525 HydrophobicContact CD2-CZ 3.6Å; F163-F525 HydrophobicContact CE2-CE1 4.03Å; F163-F525 HydrophobicContact CE2-CZ 4.23Å; F163-F525 AromaticContact CG-CE1 3.93Å; F163-F525 HydrophobicContact CG-CE1 3.93Å; F163-F525 AromaticContact CG-CZ 3.49Å; F163-F525 HydrophobicContact CG-CZ 3.49Å; F163-F525 VanDerWaalsContact CG-CZ 3.49Å; I458-F525 HydrophobicContact CD1-CD1 4.39Å; I458-F525 HydrophobicContact CD1-CE1 4Å; I458-F525 CarbonylContact O-C 3.46Å; I458-F525 WeakPolarHBondContact O-CA 3.4Å; T466-F525 HydrophobicContact CG2-CD2 3.92Å; T466-F525 HydrophobicContact CG2-CE2 4.32Å; T466-F525 VanDerWaalsContact O-CD2 3.28Å; T466-F525 WeakPolarHBondContact O-CD2 3.5Å; T466-F525 PolarHBondContact O-N 3.47Å; I468-F525 HydrophobicContact CB-CE2 4.3Å; I468-F525 HydrophobicContact CB-CZ 4.28Å; I468-F525 HydrophobicContact CD1-CD1 4.39Å; I468-F525 HydrophobicContact CD1-CE1 4.44Å; I468-F525 HydrophobicContact CG1-CD1 3.96Å; I468-F525 HydrophobicContact CG1-CD2 3.97Å; I468-F525 HydrophobicContact CG1-CE1 3.94Å; I468-F525 HydrophobicContact CG1-CE2 3.96Å; I468-F525 HydrophobicContact CG1-CG 3.97Å; I468-F525 HydrophobicContact CG1-CZ 3.92Å; I468-F525 HydrophobicContact CG2-CZ 4.18Å; F525-F529 HydrophobicContact CD1-CB 4.27Å; F525-F529 AromaticContact CD1-CD1 3.63Å; F525-F529 HydrophobicContact CD1-CD1 3.63Å; F525-F529 HydrophobicContact CD1-CE1 4.11Å; F525-F529 AromaticContact CD1-CG 3.9Å; F525-F529 HydrophobicContact CD1-CG 3.9Å; F525-F529 AromaticContact CE1-CD1 3.83Å; F525-F529 HydrophobicContact CE1-CD1 3.83Å; F525-F529 AromaticContact CE1-CE1 3.81Å; F525-F529 HydrophobicContact CE1-CE1 3.81Å; F525-F529 HydrophobicContact CE1-CG 4.31Å; F525-F529 HydrophobicContact CE1-CZ 4.27Å; F525-F529 HydrophobicContact CG-CD1 4.11Å; F525-F529 HydrophobicContact CZ-CD1 4.47Å; F525-F529 HydrophobicContact CZ-CE1 4.2Å; F525-E530 HydrophobicContact CB-CG 4.46Å
526D88.2Confident93.7Very high12 Ų1221.4 Ų21.46%0.06411%0.114CC..  trans-60.8129.8158-172.131.2000109.6W456 I458 R460 W528 F529W456-D526 PolarHBondContact NE1-OD2 2.77Å; I458-D526 PolarHBondContact O-N 3.25Å; R460-D526 HydrophobicContact CG-CB 4.38Å; R460-D526 IonicContact CZ-OD1 3.14Å; R460-D526 IonicContact CZ-OD2 3.45Å; R460-D526 IonicContact NE-OD1 2.65Å; R460-D526 PolarHBondContact NE-OD1 3.37Å; R460-D526 IonicContact NH2-OD1 2.81Å; R460-D526 PolarHBondContact NH2-OD1 3.29Å; R460-D526 IonicContact NH2-OD2 2.76Å; R460-D526 PolarHBondContact NH2-OD2 2.93Å; D526-W528 PolarHBondContact O-N 2.96Å; D526-W528 VanDerWaalsContact O-N 3.09Å; D526-F529 VanDerWaalsContact O-CB 3.24Å; D526-F529 WeakPolarHBondContact O-CB 3.44Å; D526-F529 PolarHBondContact O-N 3.3Å
527C87.4Confident94.1Very high10 Ų1019.4 Ų19.47%0.0689%0.093CC..Hα-helixtrans-59-27.4-179.655.50000112.4F529 E530 S531C527-F529 PolarHBondContact O-N 3.49Å; C527-E530 WeakPolarHBondContact O-CB 3.37Å; C527-E530 PolarHBondContact O-N 2.81Å; C527-E530 VanDerWaalsContact O-N 3.1Å; C527-S531 PolarHBondContact O-N 3.1Å; C527-S531 PolarHBondContact O-OG 3.24Å; C527-S531 VanDerWaalsContact O-OG 3.14Å
528W87.7Confident94.2Very high74 Ų7418.1 Ų18.128%0.288%0.084SC..Hα-helixtrans-64.6-23.9173.5-61.8110.5000114.2W456 D526 S531 G532 W568 T571W456-W528 HydrophobicContact CZ2-CB 4Å; D526-W528 PolarHBondContact O-N 2.96Å; D526-W528 VanDerWaalsContact O-N 3.09Å; W528-S531 WeakPolarHBondContact CA-OG 3.45Å; W528-G532 PolarHBondContact O-N 3.35Å; W528-W568 HydrophobicContact CZ3-CB 4.16Å; W528-W568 VanDerWaalsContact CZ3-N 3.3Å; W528-T571 HydrophobicContact CB-CG2 3.74Å; W528-T571 VanDerWaalsContact O-CB 3.23Å; W528-T571 WeakPolarHBondContact O-CB 3.34Å; W528-T571 PolarHBondContact O-OG1 3.24Å
529F94.6Very high94.1Very high0 Ų019.6 Ų19.60%09%0.09CC..Hα-helixtrans-71.8-37.7172-170.1-89.1000111.4V159 F163 L166 I418 W456 I458 F525 D526 C527 S533 L575V159-F529 HydrophobicContact CG1-CD1 3.71Å; V159-F529 HydrophobicContact CG1-CE1 3.67Å; F163-F529 HydrophobicContact CB-CE1 4.29Å; F163-F529 HydrophobicContact CB-CZ 4.15Å; F163-F529 HydrophobicContact CD2-CZ 4.41Å; L166-F529 HydrophobicContact CD1-CE2 3.83Å; L166-F529 HydrophobicContact CD1-CZ 3.98Å; I418-F529 HydrophobicContact CD1-CD2 3.74Å; I418-F529 HydrophobicContact CD1-CE2 3.37Å; W456-F529 HydrophobicContact CH2-CB 3.86Å; W456-F529 AromaticContact CH2-CD2 3.79Å; W456-F529 HydrophobicContact CH2-CD2 3.79Å; W456-F529 HydrophobicContact CH2-CG 4.28Å; W456-F529 HydrophobicContact CZ2-CB 3.94Å; W456-F529 HydrophobicContact CZ2-CD2 4.39Å; W456-F529 AromaticContact CZ3-CD2 3.95Å; W456-F529 HydrophobicContact CZ3-CD2 3.95Å; I458-F529 HydrophobicContact CG2-CD2 3.91Å; F525-F529 HydrophobicContact CD1-CB 4.27Å; F525-F529 AromaticContact CD1-CD1 3.63Å; F525-F529 HydrophobicContact CD1-CD1 3.63Å; F525-F529 HydrophobicContact CD1-CE1 4.11Å; F525-F529 AromaticContact CD1-CG 3.9Å; F525-F529 HydrophobicContact CD1-CG 3.9Å; F525-F529 AromaticContact CE1-CD1 3.83Å; F525-F529 HydrophobicContact CE1-CD1 3.83Å; F525-F529 AromaticContact CE1-CE1 3.81Å; F525-F529 HydrophobicContact CE1-CE1 3.81Å; F525-F529 HydrophobicContact CE1-CG 4.31Å; F525-F529 HydrophobicContact CE1-CZ 4.27Å; F525-F529 HydrophobicContact CG-CD1 4.11Å; F525-F529 HydrophobicContact CZ-CD1 4.47Å; F525-F529 HydrophobicContact CZ-CE1 4.2Å; D526-F529 VanDerWaalsContact O-CB 3.24Å; D526-F529 WeakPolarHBondContact O-CB 3.44Å; D526-F529 PolarHBondContact O-N 3.3Å; C527-F529 PolarHBondContact O-N 3.49Å; F529-S533 VanDerWaalsContact O-CB 3.31Å; F529-S533 WeakPolarHBondContact O-CB 3.25Å; F529-S533 PolarHBondContact O-N 3.49Å; F529-S533 VanDerWaalsContact O-N 3.09Å; F529-S533 PolarHBondContact O-OG 3.23Å; F529-L575 HydrophobicContact CD2-CD1 4.4Å; F529-L575 HydrophobicContact CD2-CD2 3.89Å; F529-L575 HydrophobicContact CE2-CD2 3.38Å; F529-L575 HydrophobicContact CZ-CD2 4Å
530E95.3Very high94.1Very high0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-71.4-51.5177.6-53.1179.9178.400111H88 T150 F155 T466 F525 C527 G532 S533 M534H88-E530 VanDerWaalsContact CB-OE2 3.31Å; H88-E530 WeakPolarHBondContact CB-OE2 3.48Å; H88-E530 IonicContact CE1-OE2 2.59Å; H88-E530 IonicContact CG-OE1 2.74Å; H88-E530 IonicContact CG-OE2 3.39Å; H88-E530 VanDerWaalsContact ND1-CD 3.3Å; H88-E530 IonicContact ND1-OE1 3.67Å; H88-E530 PolarHBondContact ND1-OE1 2.88Å; H88-E530 VanDerWaalsContact ND1-OE1 3.16Å; H88-E530 IonicContact ND1-OE2 2.68Å; H88-E530 PolarHBondContact ND1-OE2 3.2Å; T150-E530 HydrophobicContact CG2-CB 3.99Å; F155-E530 HydrophobicContact CE1-CB 4.45Å; T466-E530 WeakPolarHBondContact CB-OE1 3.3Å; T466-E530 PolarHBondContact N-OE1 3.22Å; T466-E530 PolarHBondContact OG1-OE1 2.82Å; F525-E530 HydrophobicContact CB-CG 4.46Å; C527-E530 WeakPolarHBondContact O-CB 3.37Å; C527-E530 PolarHBondContact O-N 2.81Å; C527-E530 VanDerWaalsContact O-N 3.1Å; E530-G532 VanDerWaalsContact C-N 3.3Å; E530-G532 PolarHBondContact O-N 3.31Å; E530-S533 WeakPolarHBondContact O-CA 3.33Å; E530-S533 WeakPolarHBondContact O-CB 3.36Å; E530-S533 PolarHBondContact O-N 2.93Å; E530-M534 PolarHBondContact O-N 3.37Å
531S92.3Very high94.2Very high2 Ų214.9 Ų14.91%0.0147%0.073CC..Hα-helixtrans-64.1-35.2177.554.80000112.3C527 W528 S533 M534 W568C527-S531 PolarHBondContact O-N 3.1Å; C527-S531 PolarHBondContact O-OG 3.24Å; C527-S531 VanDerWaalsContact O-OG 3.14Å; W528-S531 WeakPolarHBondContact CA-OG 3.45Å; S531-S533 PolarHBondContact O-N 3.45Å; S531-M534 WeakPolarHBondContact O-CB 3.27Å; S531-M534 PolarHBondContact O-N 3.27Å; S531-W568 PolarHBondContact O-NE1 3.1Å
532G94.9Very high94.3Very high1 Ų115.8 Ų15.81%0.018%0.08CC..Hα-helixtrans-67.4-22.8171.300000113.8W528 E530 M534 T571W528-G532 PolarHBondContact O-N 3.35Å; E530-G532 VanDerWaalsContact C-N 3.3Å; E530-G532 PolarHBondContact O-N 3.31Å; G532-M534 VanDerWaalsContact C-N 3.35Å; G532-T571 WeakPolarHBondContact CA-OG1 3.15Å
533S97.4Very high94.6Very high0 Ų016 Ų160%07%0.074CC..Hα-helixtrans-85.4-6.4176.5-66.20000114.2F529 E530 S531 P535 Y536 A537F529-S533 VanDerWaalsContact O-CB 3.31Å; F529-S533 WeakPolarHBondContact O-CB 3.25Å; F529-S533 PolarHBondContact O-N 3.49Å; F529-S533 VanDerWaalsContact O-N 3.09Å; F529-S533 PolarHBondContact O-OG 3.23Å; E530-S533 WeakPolarHBondContact O-CA 3.33Å; E530-S533 WeakPolarHBondContact O-CB 3.36Å; E530-S533 PolarHBondContact O-N 2.93Å; S531-S533 PolarHBondContact O-N 3.45Å; S533-P535 VanDerWaalsContact C-N 3.35Å; S533-P535 VanDerWaalsContact O-N 3.17Å; S533-Y536 VanDerWaalsContact CA-CZ 3.44Å; S533-Y536 VanDerWaalsContact CA-OH 3.31Å; S533-Y536 WeakPolarHBondContact CA-OH 3.31Å; S533-Y536 VanDerWaalsContact CB-CE2 3.46Å; S533-Y536 WeakPolarHBondContact CB-OH 3.26Å; S533-Y536 VanDerWaalsContact O-CD2 3.28Å; S533-Y536 WeakPolarHBondContact O-CD2 3.16Å; S533-Y536 VanDerWaalsContact O-CE2 3.28Å; S533-Y536 WeakPolarHBondContact O-CE2 3.43Å; S533-Y536 PolarHBondContact O-N 2.84Å; S533-Y536 PolarHBondContact OG-OH 3.41Å; S533-A537 WeakPolarHBondContact O-CB 3.37Å; S533-A537 PolarHBondContact O-N 2.66Å
534M97.2Very high94.7Very high1 Ų120.4 Ų20.41%0.00510%0.095CC..Hα-helixtrans-46.2-43.7-178.1176.6-81.1178.400115.4Y44 Y148 F155 E530 S531 G532 Y536 A537 Q538Y44-M534 HydrophobicContact CD1-CE 4.08Å; Y44-M534 HydrophobicContact CD1-SD 4.18Å; Y44-M534 HydrophobicContact CG-CE 4.26Å; Y44-M534 HydrophobicContact CG-SD 4.01Å; Y148-M534 HydrophobicContact CD1-CE 4.16Å; Y148-M534 HydrophobicContact CD2-CG 4.21Å; Y148-M534 HydrophobicContact CE1-CE 3.25Å; Y148-M534 HydrophobicContact CE1-CG 4.24Å; Y148-M534 HydrophobicContact CE2-CB 4.35Å; Y148-M534 HydrophobicContact CE2-CE 4.19Å; Y148-M534 HydrophobicContact CE2-CG 3.37Å; Y148-M534 WeakPolarHBondContact OH-CE 3.22Å; Y148-M534 WeakPolarHBondContact OH-CG 3.26Å; F155-M534 HydrophobicContact CE2-CB 4.43Å; F155-M534 HydrophobicContact CZ-CB 4.14Å; E530-M534 PolarHBondContact O-N 3.37Å; S531-M534 WeakPolarHBondContact O-CB 3.27Å; S531-M534 PolarHBondContact O-N 3.27Å; G532-M534 VanDerWaalsContact C-N 3.35Å; M534-Y536 VanDerWaalsContact C-N 3.29Å; M534-Y536 PolarHBondContact O-N 2.8Å; M534-Y536 VanDerWaalsContact O-N 3.16Å; M534-A537 PolarHBondContact O-N 3.05Å; M534-Q538 HydrophobicContact CE-CB 4.44Å; M534-Q538 HydrophobicContact CE-CG 4.33Å; M534-Q538 WeakPolarHBondContact O-CB 3.43Å; M534-Q538 WeakPolarHBondContact O-CG 3.49Å; M534-Q538 PolarHBondContact O-N 2.88Å; M534-Q538 PolarHBondContact SD-NE2 2.77Å; M534-Q538 VanDerWaalsContact SD-NE2 3.44Å
535P96.6Very high94.7Very high2 Ų223.7 Ų23.71%0.01311%0.112CC..Hα-helixtrans-51.2-45.7-174.4-33.338.9000114.4Y44 S533 Q538 F549 F553 L572Y44-P535 HydrophobicContact CD2-CB 4.29Å; Y44-P535 HydrophobicContact CD2-CG 4.01Å; Y44-P535 HydrophobicContact CE2-CB 3.51Å; Y44-P535 HydrophobicContact CE2-CG 3.65Å; S533-P535 VanDerWaalsContact C-N 3.35Å; S533-P535 VanDerWaalsContact O-N 3.17Å; P535-Q538 PolarHBondContact O-NE2 3.19Å; P535-F549 HydrophobicContact CB-CE2 4.21Å; P535-F553 HydrophobicContact CB-CE2 4.24Å; P535-L572 HydrophobicContact CG-CD2 3.33Å
536Y96.8Very high94.8Very high2 Ų230.5 Ų30.51%0.00814%0.138CC..Hα-helixtrans-96.1-34-18041.9-94.1000111.8W161 A162 S533 M534 Q538 R539 H540 Y541 F549 L579 F580W161-Y536 HydrophobicContact CE3-CD2 4.46Å; W161-Y536 HydrophobicContact CZ3-CD2 4.18Å; W161-Y536 HydrophobicContact CZ3-CE2 4.42Å; A162-Y536 HydrophobicContact CB-CE2 3.65Å; S533-Y536 VanDerWaalsContact CA-CZ 3.44Å; S533-Y536 VanDerWaalsContact CA-OH 3.31Å; S533-Y536 WeakPolarHBondContact CA-OH 3.31Å; S533-Y536 VanDerWaalsContact CB-CE2 3.46Å; S533-Y536 WeakPolarHBondContact CB-OH 3.26Å; S533-Y536 VanDerWaalsContact O-CD2 3.28Å; S533-Y536 WeakPolarHBondContact O-CD2 3.16Å; S533-Y536 VanDerWaalsContact O-CE2 3.28Å; S533-Y536 WeakPolarHBondContact O-CE2 3.43Å; S533-Y536 PolarHBondContact O-N 2.84Å; S533-Y536 PolarHBondContact OG-OH 3.41Å; M534-Y536 VanDerWaalsContact C-N 3.29Å; M534-Y536 PolarHBondContact O-N 2.8Å; M534-Y536 VanDerWaalsContact O-N 3.16Å; Y536-Q538 PolarHBondContact O-N 2.91Å; Y536-R539 PolarHBondContact O-N 3.46Å; Y536-R539 VanDerWaalsContact O-N 3.16Å; Y536-H540 PolarHBondContact O-N 2.81Å; Y536-Y541 WeakPolarHBondContact O-CB 3.45Å; Y536-Y541 PolarHBondContact O-N 2.74Å; Y536-Y541 VanDerWaalsContact O-N 3.11Å; Y536-F549 HydrophobicContact CD1-CZ 4.33Å; Y536-L579 HydrophobicContact CE1-CD1 3.78Å; Y536-L579 HydrophobicContact CE2-CD1 4.29Å; Y536-L579 VanDerWaalsContact OH-CD1 3.29Å; Y536-L579 WeakPolarHBondContact OH-CD1 3.44Å; Y536-F580 AromaticContact CD1-CE2 3.59Å; Y536-F580 HydrophobicContact CD1-CE2 3.59Å; Y536-F580 AromaticContact CD1-CZ 4Å; Y536-F580 HydrophobicContact CD1-CZ 4Å; Y536-F580 AromaticContact CE1-CE2 3.83Å; Y536-F580 HydrophobicContact CE1-CE2 3.83Å; Y536-F580 HydrophobicContact CG-CE2 4.46Å; Y536-F580 HydrophobicContact CG-CZ 4.45Å
537A97.4Very high95Very high1 Ų138.7 Ų38.71%0.00817%0.168CC..Hα-helixtrans-68.6-33.1-177.300000113.7F155 S533 M534 R539 H540F155-A537 HydrophobicContact CD1-CB 3.74Å; F155-A537 HydrophobicContact CD2-CB 3.66Å; F155-A537 HydrophobicContact CE1-CB 3.62Å; F155-A537 HydrophobicContact CE2-CB 3.56Å; F155-A537 HydrophobicContact CG-CB 3.76Å; F155-A537 HydrophobicContact CZ-CB 3.54Å; S533-A537 WeakPolarHBondContact O-CB 3.37Å; S533-A537 PolarHBondContact O-N 2.66Å; M534-A537 PolarHBondContact O-N 3.05Å; A537-R539 PolarHBondContact O-N 2.69Å; A537-R539 VanDerWaalsContact O-N 3.14Å; A537-H540 PolarHBondContact O-N 3.2Å; A537-H540 VanDerWaalsContact O-N 3.13Å
538Q95.4Very high95.2Very high16 Ų1641.3 Ų41.38%0.07518%0.179CC..THydrogen-bonded Turntrans-63-19.6174.776.1-178.2-54.200113.3Y44 R82 Y148 M534 P535 Y536Y44-Q538 VanDerWaalsContact CE1-NE2 3.26Å; R82-Q538 PolarHBondContact NH1-O 3.21Å; Y148-Q538 HydrophobicContact CD1-CB 3.89Å; Y148-Q538 HydrophobicContact CD2-CB 4.3Å; Y148-Q538 HydrophobicContact CG-CB 3.77Å; M534-Q538 HydrophobicContact CE-CB 4.44Å; M534-Q538 HydrophobicContact CE-CG 4.33Å; M534-Q538 WeakPolarHBondContact O-CB 3.43Å; M534-Q538 WeakPolarHBondContact O-CG 3.49Å; M534-Q538 PolarHBondContact O-N 2.88Å; M534-Q538 PolarHBondContact SD-NE2 2.77Å; M534-Q538 VanDerWaalsContact SD-NE2 3.44Å; P535-Q538 PolarHBondContact O-NE2 3.19Å; Y536-Q538 PolarHBondContact O-N 2.91Å
539R95.1Very high95.5Very high31 Ų3138 Ų3812%0.11717%0.167CC..THydrogen-bonded Turntrans-101.70.6-179.4-67.1-60-177.3-171.2-6.8112.9E80 Y536 A537 Y541 N545 E548E80-R539 VanDerWaalsContact CD-NH2 3.25Å; E80-R539 IonicContact OE1-CZ 3.73Å; E80-R539 IonicContact OE1-NH1 3.62Å; E80-R539 PolarHBondContact OE1-NH1 2.74Å; E80-R539 IonicContact OE1-NH2 2.69Å; E80-R539 PolarHBondContact OE1-NH2 3.4Å; E80-R539 IonicContact OE2-CZ 3Å; E80-R539 VanDerWaalsContact OE2-CZ 3.3Å; E80-R539 IonicContact OE2-NH1 3.86Å; E80-R539 PolarHBondContact OE2-NH1 3.03Å; E80-R539 VanDerWaalsContact OE2-NH1 3.11Å; E80-R539 IonicContact OE2-NH2 2.91Å; E80-R539 PolarHBondContact OE2-NH2 2.98Å; Y536-R539 PolarHBondContact O-N 3.46Å; Y536-R539 VanDerWaalsContact O-N 3.16Å; A537-R539 PolarHBondContact O-N 2.69Å; A537-R539 VanDerWaalsContact O-N 3.14Å; R539-Y541 PolarHBondContact O-N 3.18Å; R539-N545 HydrophobicContact CB-CB 4.12Å; R539-N545 PolarHBondContact O-ND2 2.84Å; R539-E548 IonicContact CZ-OE1 2.74Å; R539-E548 IonicContact NE-OE1 3.13Å; R539-E548 IonicContact NH1-OE1 3.49Å; R539-E548 PolarHBondContact NH1-OE1 3.15Å; R539-E548 IonicContact NH2-OE1 3.6Å
540H97Very high95.5Very high28 Ų2842.4 Ų42.413%0.1319%0.187CC..THydrogen-bonded Turntrans57.730.2-171.2-162.8-167.6000112.9S154 E157 S158 Y536 A537 F543 E544S154-H540 VanDerWaalsContact CB-CG 3.48Å; S154-H540 PolarHBondContact O-CD2 3.49Å; E157-H540 IonicContact OE2-CD2 4Å; E157-H540 IonicContact OE2-CE1 2.77Å; E157-H540 IonicContact OE2-NE2 3.44Å; E157-H540 PolarHBondContact OE2-NE2 2.87Å; S158-H540 VanDerWaalsContact OG-CA 3.32Å; S158-H540 WeakPolarHBondContact OG-CA 3.42Å; Y536-H540 PolarHBondContact O-N 2.81Å; A537-H540 PolarHBondContact O-N 3.2Å; A537-H540 VanDerWaalsContact O-N 3.13Å; H540-F543 AromaticContact CD2-CD2 3.48Å; H540-F543 VanDerWaalsContact CD2-CD2 3.48Å; H540-F543 WeakPolarHBondContact CD2-CD2 3.27Å; H540-F543 AromaticContact NE2-CD2 3.59Å; H540-F543 AromaticContact NE2-CG 3.97Å; H540-F543 WeakPolarHBondContact O-CA 3.42Å; H540-F543 WeakPolarHBondContact O-CB 3.37Å; H540-F543 WeakPolarHBondContact O-CD2 3.47Å; H540-F543 PolarHBondContact O-N 3.18Å; H540-E544 HydrophobicContact CB-CB 4.27Å; H540-E544 IonicContact ND1-OE1 2.89Å; H540-E544 PolarHBondContact O-N 3.19Å
541Y97.7Very high95.3Very high20 Ų2048.2 Ų48.28%0.07821%0.214CC..THydrogen-bonded Turntrans-70.1138.4178.3175.9-79.7000110.5S158 W161 Y536 R539 R546 F549 E550 F580S158-Y541 WeakPolarHBondContact CB-O 3.43Å; S158-Y541 PolarHBondContact OG-O 3.39Å; W161-Y541 HydrophobicContact CE3-CD1 4.33Å; W161-Y541 AromaticContact CH2-CD1 3.98Å; W161-Y541 HydrophobicContact CH2-CD1 3.98Å; W161-Y541 AromaticContact CH2-CE1 3.44Å; W161-Y541 HydrophobicContact CH2-CE1 3.44Å; W161-Y541 VanDerWaalsContact CH2-CE1 3.44Å; W161-Y541 HydrophobicContact CZ2-CD1 4.41Å; W161-Y541 AromaticContact CZ2-CE1 3.74Å; W161-Y541 HydrophobicContact CZ2-CE1 3.74Å; W161-Y541 AromaticContact CZ3-CD1 3.91Å; W161-Y541 HydrophobicContact CZ3-CD1 3.91Å; W161-Y541 AromaticContact CZ3-CE1 3.88Å; W161-Y541 HydrophobicContact CZ3-CE1 3.88Å; Y536-Y541 WeakPolarHBondContact O-CB 3.45Å; Y536-Y541 PolarHBondContact O-N 2.74Å; Y536-Y541 VanDerWaalsContact O-N 3.11Å; R539-Y541 PolarHBondContact O-N 3.18Å; Y541-R546 HydrophobicContact CD2-CB 4.45Å; Y541-R546 HydrophobicContact CD2-CG 4.26Å; Y541-R546 HydrophobicContact CE2-CB 4.47Å; Y541-R546 HydrophobicContact CE2-CG 3.8Å; Y541-F549 HydrophobicContact CD1-CD1 4.45Å; Y541-F549 HydrophobicContact CD2-CB 3.95Å; Y541-F549 AromaticContact CD2-CD1 3.39Å; Y541-F549 HydrophobicContact CD2-CD1 3.39Å; Y541-F549 HydrophobicContact CD2-CE1 4.17Å; Y541-F549 AromaticContact CD2-CG 3.88Å; Y541-F549 HydrophobicContact CD2-CG 3.88Å; Y541-F549 HydrophobicContact CE1-CE1 4.38Å; Y541-F549 AromaticContact CE2-CD1 3.44Å; Y541-F549 HydrophobicContact CE2-CD1 3.44Å; Y541-F549 VanDerWaalsContact CE2-CD1 3.44Å; Y541-F549 HydrophobicContact CE2-CE1 4.01Å; Y541-F549 HydrophobicContact CE2-CG 4.35Å; Y541-F549 AromaticContact CG-CD1 3.95Å; Y541-F549 HydrophobicContact CG-CD1 3.95Å; Y541-F549 HydrophobicContact CG-CE1 4.43Å; Y541-F549 HydrophobicContact CG-CG 4.3Å; Y541-E550 HydrophobicContact CE2-CG 4.27Å; Y541-F580 HydrophobicContact CE1-CE1 4.1Å; Y541-F580 HydrophobicContact CE1-CZ 4.13Å
542P96.9Very high95.3Very high36 Ų3649.4 Ų49.423%0.23422%0.22CC..THydrogen-bonded Turncis-95.67.39.139.7-41.1000114.4W161W161-P542 VanDerWaalsContact CD2-CD 3.46Å; W161-P542 HydrophobicContact CD2-CG 4.03Å; W161-P542 HydrophobicContact CG-CG 3.88Å
543F96.9Very high95.4Very high78 Ų7850.3 Ų50.334%0.34222%0.224SC..THydrogen-bonded Turntrans-72.1-41.8-172.4-49.9-74.9000111.5E157 W161 S484 H540E157-F543 HydrophobicContact CB-CE2 4.22Å; E157-F543 HydrophobicContact CG-CD2 4.26Å; E157-F543 HydrophobicContact CG-CE2 3.57Å; E157-F543 HydrophobicContact CG-CZ 3.73Å; W161-F543 HydrophobicContact CB-CE2 4.17Å; W161-F543 HydrophobicContact CB-CZ 4.07Å; S484-F543 VanDerWaalsContact CB-CE1 3.48Å; H540-F543 AromaticContact CD2-CD2 3.48Å; H540-F543 VanDerWaalsContact CD2-CD2 3.48Å; H540-F543 WeakPolarHBondContact CD2-CD2 3.27Å; H540-F543 AromaticContact NE2-CD2 3.59Å; H540-F543 AromaticContact NE2-CG 3.97Å; H540-F543 WeakPolarHBondContact O-CA 3.42Å; H540-F543 WeakPolarHBondContact O-CB 3.37Å; H540-F543 WeakPolarHBondContact O-CD2 3.47Å; H540-F543 PolarHBondContact O-N 3.18Å
544E95.9Very high95.3Very high110 Ų11051.4 Ų51.451%0.51423%0.231SC..SBendtrans-131.3167.7177.7-57.3-175.2-175.300111.2H540 R546H540-E544 HydrophobicContact CB-CB 4.27Å; H540-E544 IonicContact ND1-OE1 2.89Å; H540-E544 PolarHBondContact O-N 3.19Å; E544-R546 PolarHBondContact O-N 3Å
545N94.2Very high95.4Very high71 Ų7151.4 Ų51.438%0.3823%0.231SC..  trans5129.5173.1-49.7-57.3000115.2R539 R547 E548 F549R539-N545 HydrophobicContact CB-CB 4.12Å; R539-N545 PolarHBondContact O-ND2 2.84Å; N545-R547 PolarHBondContact O-N 3.19Å; N545-E548 HydrophobicContact CB-CB 4.4Å; N545-E548 PolarHBondContact O-N 3.48Å; N545-F549 PolarHBondContact O-N 3.48Å
546R95Very high95.4Very high146 Ų14652.4 Ų52.455%0.55124%0.236SC*.Hα-helixtrans-55.4-51.6-175.2-178.6175178.6171-0.1113Y541 E544 E548 F549 E550Y541-R546 HydrophobicContact CD2-CB 4.45Å; Y541-R546 HydrophobicContact CD2-CG 4.26Å; Y541-R546 HydrophobicContact CE2-CB 4.47Å; Y541-R546 HydrophobicContact CE2-CG 3.8Å; E544-R546 PolarHBondContact O-N 3Å; R546-E548 VanDerWaalsContact C-N 3.33Å; R546-E548 PolarHBondContact O-N 3.42Å; R546-F549 PolarHBondContact O-N 3.21Å; R546-E550 HydrophobicContact CG-CG 4.47Å; R546-E550 WeakPolarHBondContact CG-OE1 3.23Å; R546-E550 IonicContact CZ-OE1 3.15Å; R546-E550 IonicContact NE-OE1 3.43Å; R546-E550 PolarHBondContact NE-OE1 2.89Å; R546-E550 IonicContact NE-OE2 2.64Å; R546-E550 IonicContact NH2-OE1 3.46Å; R546-E550 PolarHBondContact NH2-OE1 3.34Å; R546-E550 WeakPolarHBondContact O-CB 3.37Å; R546-E550 WeakPolarHBondContact O-CG 3.15Å; R546-E550 PolarHBondContact O-N 3.07Å
547R93.6Very high95.5Very high184 Ų18452.3 Ų52.369%0.69424%0.236SC*.Hα-helixtrans-62.6-42.3-178.7-177.1178175.6-177.9-2.3111.5N545 F549 E550 E551N545-R547 PolarHBondContact O-N 3.19Å; R547-F549 PolarHBondContact O-N 3.27Å; R547-E550 PolarHBondContact O-N 3.12Å; R547-E551 HydrophobicContact CG-CG 4.31Å; R547-E551 WeakPolarHBondContact CG-OE1 3.34Å; R547-E551 IonicContact CZ-OE1 2.93Å; R547-E551 IonicContact NE-OE1 2.92Å; R547-E551 PolarHBondContact NE-OE1 2.83Å; R547-E551 IonicContact NH2-OE1 2.64Å; R547-E551 PolarHBondContact NH2-OE1 3.05Å; R547-E551 VanDerWaalsContact NH2-OE1 3.12Å; R547-E551 WeakPolarHBondContact O-CB 3.46Å; R547-E551 WeakPolarHBondContact O-CG 3.35Å; R547-E551 PolarHBondContact O-N 2.93Å
548E90.6Very high95.5Very high64 Ų6452.2 Ų52.230%0.29924%0.235SC..Hα-helixtrans-65.1-38.9179.9-168.1-177.2153.700111.9R539 N545 R546 N552R539-E548 IonicContact CZ-OE1 2.74Å; R539-E548 IonicContact NE-OE1 3.13Å; R539-E548 IonicContact NH1-OE1 3.49Å; R539-E548 PolarHBondContact NH1-OE1 3.15Å; R539-E548 IonicContact NH2-OE1 3.6Å; N545-E548 HydrophobicContact CB-CB 4.4Å; N545-E548 PolarHBondContact O-N 3.48Å; R546-E548 VanDerWaalsContact C-N 3.33Å; R546-E548 PolarHBondContact O-N 3.42Å; E548-N552 WeakPolarHBondContact O-CB 3.35Å; E548-N552 PolarHBondContact O-N 3.43Å; E548-N552 PolarHBondContact O-ND2 3.48Å
549F94.6Very high95.5Very high6 Ų651.5 Ų51.53%0.02623%0.232CC..Hα-helixtrans-65.7-49.4171.3170.7-102.1000111.7P535 Y536 Y541 N545 R546 R547 E551 N552 F553 F580P535-F549 HydrophobicContact CB-CE2 4.21Å; Y536-F549 HydrophobicContact CD1-CZ 4.33Å; Y541-F549 HydrophobicContact CD1-CD1 4.45Å; Y541-F549 HydrophobicContact CD2-CB 3.95Å; Y541-F549 AromaticContact CD2-CD1 3.39Å; Y541-F549 HydrophobicContact CD2-CD1 3.39Å; Y541-F549 HydrophobicContact CD2-CE1 4.17Å; Y541-F549 AromaticContact CD2-CG 3.88Å; Y541-F549 HydrophobicContact CD2-CG 3.88Å; Y541-F549 HydrophobicContact CE1-CE1 4.38Å; Y541-F549 AromaticContact CE2-CD1 3.44Å; Y541-F549 HydrophobicContact CE2-CD1 3.44Å; Y541-F549 VanDerWaalsContact CE2-CD1 3.44Å; Y541-F549 HydrophobicContact CE2-CE1 4.01Å; Y541-F549 HydrophobicContact CE2-CG 4.35Å; Y541-F549 AromaticContact CG-CD1 3.95Å; Y541-F549 HydrophobicContact CG-CD1 3.95Å; Y541-F549 HydrophobicContact CG-CE1 4.43Å; Y541-F549 HydrophobicContact CG-CG 4.3Å; N545-F549 PolarHBondContact O-N 3.48Å; R546-F549 PolarHBondContact O-N 3.21Å; R547-F549 PolarHBondContact O-N 3.27Å; F549-E551 VanDerWaalsContact C-N 3.31Å; F549-E551 PolarHBondContact O-N 3.45Å; F549-N552 PolarHBondContact O-N 3.39Å; F549-F553 HydrophobicContact CD2-CB 4.29Å; F549-F553 HydrophobicContact CE1-CB 4.38Å; F549-F553 HydrophobicContact CE1-CD1 4.32Å; F549-F553 HydrophobicContact CE1-CG 4.35Å; F549-F553 HydrophobicContact CE2-CB 3.89Å; F549-F553 HydrophobicContact CE2-CD1 4.46Å; F549-F553 AromaticContact CE2-CD2 3.81Å; F549-F553 HydrophobicContact CE2-CD2 3.81Å; F549-F553 HydrophobicContact CE2-CE2 4.38Å; F549-F553 AromaticContact CE2-CG 3.81Å; F549-F553 HydrophobicContact CE2-CG 3.81Å; F549-F553 HydrophobicContact CZ-CB 3.94Å; F549-F553 AromaticContact CZ-CD1 3.82Å; F549-F553 HydrophobicContact CZ-CD1 3.82Å; F549-F553 AromaticContact CZ-CD2 3.92Å; F549-F553 HydrophobicContact CZ-CD2 3.92Å; F549-F553 HydrophobicContact CZ-CE1 4.21Å; F549-F553 HydrophobicContact CZ-CE2 4.29Å; F549-F553 AromaticContact CZ-CG 3.62Å; F549-F553 HydrophobicContact CZ-CG 3.62Å; F549-F553 HydrophobicContact CZ-CZ 4.39Å; F549-F553 WeakPolarHBondContact O-CB 3.11Å; F549-F553 PolarHBondContact O-N 3.29Å; F549-F580 AromaticContact CE1-CE1 3.98Å; F549-F580 HydrophobicContact CE1-CE1 3.98Å; F549-F580 HydrophobicContact CE1-CE2 4.44Å; F549-F580 AromaticContact CE1-CZ 3.83Å; F549-F580 HydrophobicContact CE1-CZ 3.83Å; F549-F580 HydrophobicContact CZ-CE1 4.38Å; F549-F580 HydrophobicContact CZ-CE2 4.03Å; F549-F580 AromaticContact CZ-CZ 3.84Å; F549-F580 HydrophobicContact CZ-CZ 3.84Å
550E94.2Very high95.5Very high92 Ų9251.3 Ų51.343%0.4323%0.233SC..Hα-helixtrans-63.6-33.8-175.8-72.9174.717900112.9Y541 R546 R547Y541-E550 HydrophobicContact CE2-CG 4.27Å; R546-E550 HydrophobicContact CG-CG 4.47Å; R546-E550 WeakPolarHBondContact CG-OE1 3.23Å; R546-E550 IonicContact CZ-OE1 3.15Å; R546-E550 IonicContact NE-OE1 3.43Å; R546-E550 PolarHBondContact NE-OE1 2.89Å; R546-E550 IonicContact NE-OE2 2.64Å; R546-E550 IonicContact NH2-OE1 3.46Å; R546-E550 PolarHBondContact NH2-OE1 3.34Å; R546-E550 WeakPolarHBondContact O-CB 3.37Å; R546-E550 WeakPolarHBondContact O-CG 3.15Å; R546-E550 PolarHBondContact O-N 3.07Å; R547-E550 PolarHBondContact O-N 3.12Å
551E92Very high95.3Very high122 Ų12250.2 Ų50.257%0.5723%0.229SC*.Hα-helixtrans-75-29176.6-73.1176.2174.400113R547 F549R547-E551 HydrophobicContact CG-CG 4.31Å; R547-E551 WeakPolarHBondContact CG-OE1 3.34Å; R547-E551 IonicContact CZ-OE1 2.93Å; R547-E551 IonicContact NE-OE1 2.92Å; R547-E551 PolarHBondContact NE-OE1 2.83Å; R547-E551 IonicContact NH2-OE1 2.64Å; R547-E551 PolarHBondContact NH2-OE1 3.05Å; R547-E551 VanDerWaalsContact NH2-OE1 3.12Å; R547-E551 WeakPolarHBondContact O-CB 3.46Å; R547-E551 WeakPolarHBondContact O-CG 3.35Å; R547-E551 PolarHBondContact O-N 2.93Å; F549-E551 VanDerWaalsContact C-N 3.31Å; F549-E551 PolarHBondContact O-N 3.45Å
552N92.5Very high95Very high27 Ų2749.8 Ų49.814%0.14423%0.228CC..Hα-helixtrans-105.86.7-173.7-65.4-50.2000114.3T40 S42 E548 F549 P554T40-N552 WeakPolarHBondContact CB-OD1 3.36Å; T40-N552 WeakPolarHBondContact CG2-OD1 3.45Å; S42-N552 VanDerWaalsContact CB-O 3.27Å; S42-N552 WeakPolarHBondContact CB-O 3.28Å; S42-N552 PolarHBondContact OG-O 3.19Å; E548-N552 WeakPolarHBondContact O-CB 3.35Å; E548-N552 PolarHBondContact O-N 3.43Å; E548-N552 PolarHBondContact O-ND2 3.48Å; F549-N552 PolarHBondContact O-N 3.39Å; N552-P554 CarbonylContact O-C 3.52Å
553F95.9Very high94.3Very high20 Ų2052.1 Ų52.19%0.08824%0.238CC..  trans-111.7126.2179.3-175.5-109.4000111.6P535 F549 S576 F580 P584P535-F553 HydrophobicContact CB-CE2 4.24Å; F549-F553 HydrophobicContact CD2-CB 4.29Å; F549-F553 HydrophobicContact CE1-CB 4.38Å; F549-F553 HydrophobicContact CE1-CD1 4.32Å; F549-F553 HydrophobicContact CE1-CG 4.35Å; F549-F553 HydrophobicContact CE2-CB 3.89Å; F549-F553 HydrophobicContact CE2-CD1 4.46Å; F549-F553 AromaticContact CE2-CD2 3.81Å; F549-F553 HydrophobicContact CE2-CD2 3.81Å; F549-F553 HydrophobicContact CE2-CE2 4.38Å; F549-F553 AromaticContact CE2-CG 3.81Å; F549-F553 HydrophobicContact CE2-CG 3.81Å; F549-F553 HydrophobicContact CZ-CB 3.94Å; F549-F553 AromaticContact CZ-CD1 3.82Å; F549-F553 HydrophobicContact CZ-CD1 3.82Å; F549-F553 AromaticContact CZ-CD2 3.92Å; F549-F553 HydrophobicContact CZ-CD2 3.92Å; F549-F553 HydrophobicContact CZ-CE1 4.21Å; F549-F553 HydrophobicContact CZ-CE2 4.29Å; F549-F553 AromaticContact CZ-CG 3.62Å; F549-F553 HydrophobicContact CZ-CG 3.62Å; F549-F553 HydrophobicContact CZ-CZ 4.39Å; F549-F553 WeakPolarHBondContact O-CB 3.11Å; F549-F553 PolarHBondContact O-N 3.29Å; F553-S576 WeakPolarHBondContact CZ-OG 3.48Å; F553-F580 HydrophobicContact CE1-CB 3.93Å; F553-F580 AromaticContact CE1-CD2 3.69Å; F553-F580 HydrophobicContact CE1-CD2 3.69Å; F553-F580 HydrophobicContact CE1-CE2 4.4Å; F553-F580 AromaticContact CE1-CG 3.86Å; F553-F580 HydrophobicContact CE1-CG 3.86Å; F553-F580 AromaticContact CZ-CD2 3.85Å; F553-F580 HydrophobicContact CZ-CD2 3.85Å; F553-F580 HydrophobicContact CZ-CE2 4.4Å; F553-F580 HydrophobicContact CZ-CG 4.46Å; F553-P584 HydrophobicContact CE2-CB 4.28Å
554P96.7Very high94Very high23 Ų2349.9 Ų49.915%0.14923%0.229CC..SBendcis-71.8154.54.228.3-35.5000114.3N552 P583 R586N552-P554 CarbonylContact O-C 3.52Å; P554-P583 WeakPolarHBondContact CB-O 3.47Å; P554-R586 HydrophobicContact CB-CG 4.37Å; P554-R586 HydrophobicContact CG-CG 3.91Å
555A97.4Very high93.7Very high0 Ų045.1 Ų45.10%021%0.207CC..EExtended strand (participates in β ladder)trans-61.2146.6173.300000111.8S42 Y44 P584 F585 R586S42-A555 WeakPolarHBondContact OG-CA 3.4Å; Y44-A555 HydrophobicContact CD1-CB 4.19Å; Y44-A555 HydrophobicContact CD2-CB 3.52Å; Y44-A555 HydrophobicContact CE1-CB 4.13Å; Y44-A555 HydrophobicContact CE2-CB 3.45Å; Y44-A555 VanDerWaalsContact CE2-CB 3.45Å; Y44-A555 HydrophobicContact CG-CB 3.9Å; A555-P584 PolarHBondContact N-O 2.81Å; A555-F585 HydrophobicContact CB-CB 4.45Å; A555-F585 CarbonylContact O-C 3.56Å; A555-F585 WeakPolarHBondContact O-CA 3.31Å; A555-R586 PolarHBondContact O-N 3.22Å
556D97.9Very high93.1Very high23 Ų2350.9 Ų50.912%0.12322%0.224CC..EExtended strand (participates in β ladder)trans-71.6-33.3176.5-65.9-69.5000111.5Y41 S42 R586 N587Y41-D556 WeakPolarHBondContact CA-OD2 3.44Å; Y41-D556 HydrophobicContact CD1-CB 4.21Å; Y41-D556 HydrophobicContact CD2-CB 3.96Å; Y41-D556 HydrophobicContact CE1-CB 4.07Å; Y41-D556 HydrophobicContact CE2-CB 3.81Å; Y41-D556 HydrophobicContact CG-CB 4.17Å; S42-D556 PolarHBondContact N-OD2 2.94Å; S42-D556 WeakPolarHBondContact O-CA 3.44Å; S42-D556 WeakPolarHBondContact O-CB 3.41Å; S42-D556 PolarHBondContact O-N 3.44Å; D556-R586 IonicContact OD1-CZ 3.57Å; D556-R586 IonicContact OD1-NE 3.58Å; D556-R586 IonicContact OD1-NH1 2.7Å; D556-R586 PolarHBondContact OD1-NH1 3.39Å; D556-N587 VanDerWaalsContact O-CB 3.27Å; D556-N587 WeakPolarHBondContact O-CB 3.17Å; D556-N587 PolarHBondContact O-N 2.94Å; D556-N587 VanDerWaalsContact O-N 3.12Å; D556-N587 PolarHBondContact O-ND2 3.43Å
557F97.9Very high92.7Very high0 Ų044.1 Ų44.10%020%0.199CC..EExtended strand (participates in β ladder)trans-151.4138.7-173.4170.9-113.2000114.7Y41 S42 F43 Y44 I64 V68 A559 N587 I589 Y712Y41-F557 HydrophobicContact CE1-CB 3.76Å; Y41-F557 WeakPolarHBondContact OH-CB 3.43Å; S42-F557 PolarHBondContact O-N 3.03Å; F43-F557 AromaticContact CD2-CD1 3.78Å; F43-F557 HydrophobicContact CD2-CD1 3.78Å; F43-F557 HydrophobicContact CD2-CE1 4.2Å; F43-F557 HydrophobicContact CE2-CD1 4.35Å; F43-F557 HydrophobicContact CE2-CE1 4.34Å; Y44-F557 PolarHBondContact N-O 3.26Å; I64-F557 HydrophobicContact CG2-CZ 4.28Å; V68-F557 HydrophobicContact CB-CD1 4.05Å; V68-F557 HydrophobicContact CB-CE1 3.55Å; V68-F557 HydrophobicContact CB-CE2 4.47Å; V68-F557 HydrophobicContact CB-CZ 3.77Å; V68-F557 HydrophobicContact CG1-CD1 3.54Å; V68-F557 HydrophobicContact CG1-CD2 4.15Å; V68-F557 HydrophobicContact CG1-CE1 3.57Å; V68-F557 HydrophobicContact CG1-CE2 4.17Å; V68-F557 HydrophobicContact CG1-CG 3.83Å; V68-F557 HydrophobicContact CG1-CZ 3.88Å; V68-F557 HydrophobicContact CG2-CE1 4.04Å; V68-F557 HydrophobicContact CG2-CE2 4.22Å; V68-F557 HydrophobicContact CG2-CZ 3.7Å; F557-A559 HydrophobicContact CE1-CB 4.32Å; F557-A559 HydrophobicContact CE2-CB 3.87Å; F557-A559 HydrophobicContact CZ-CB 3.47Å; F557-A559 VanDerWaalsContact CZ-CB 3.47Å; F557-N587 WeakPolarHBondContact CA-O 3.03Å; F557-I589 HydrophobicContact CE2-CB 4.12Å; F557-I589 HydrophobicContact CE2-CD1 3.63Å; F557-I589 HydrophobicContact CE2-CG1 3.79Å; F557-I589 HydrophobicContact CZ-CD1 4.05Å; F557-Y712 HydrophobicContact CB-CE1 4.05Å; F557-Y712 AromaticContact CD2-CD1 3.76Å; F557-Y712 HydrophobicContact CD2-CD1 3.76Å; F557-Y712 AromaticContact CD2-CE1 3.5Å; F557-Y712 HydrophobicContact CD2-CE1 3.5Å; F557-Y712 HydrophobicContact CE2-CD1 4.06Å; F557-Y712 HydrophobicContact CE2-CE1 4.22Å; F557-Y712 AromaticContact CG-CE1 3.96Å; F557-Y712 HydrophobicContact CG-CE1 3.96Å
558I97.7Very high92.7Very high0 Ų035.5 Ų35.50%017%0.167CC..EExtended strand (participates in β ladder)trans-136.8157.3162.569.6167.2000111.2Y44 W568 F569 L572 F585 N587 L588 I589Y44-I558 HydrophobicContact CD2-CG2 4.33Å; Y44-I558 HydrophobicContact CG-CG2 4.42Å; I558-W568 HydrophobicContact CB-CH2 4.31Å; I558-W568 HydrophobicContact CB-CZ3 4.13Å; I558-W568 HydrophobicContact CD1-CE3 4.28Å; I558-W568 HydrophobicContact CD1-CH2 4.24Å; I558-W568 HydrophobicContact CD1-CZ3 3.72Å; I558-W568 HydrophobicContact CG1-CZ3 4.48Å; I558-W568 HydrophobicContact CG2-CH2 4.16Å; I558-W568 HydrophobicContact CG2-CZ3 4.46Å; I558-F569 HydrophobicContact CD1-CD1 3.98Å; I558-F569 HydrophobicContact CD1-CE1 4Å; I558-L572 HydrophobicContact CD1-CD1 3.91Å; I558-F585 HydrophobicContact CD1-CB 4.49Å; I558-F585 HydrophobicContact CD1-CD1 3.27Å; I558-F585 HydrophobicContact CD1-CE1 3.52Å; I558-F585 HydrophobicContact CD1-CG 3.86Å; I558-F585 HydrophobicContact CD1-CZ 4.27Å; I558-F585 HydrophobicContact CG1-CB 4.26Å; I558-F585 HydrophobicContact CG1-CD1 3.86Å; I558-F585 HydrophobicContact CG1-CD2 4.36Å; I558-F585 HydrophobicContact CG1-CE1 4.35Å; I558-F585 HydrophobicContact CG1-CG 3.89Å; I558-F585 HydrophobicContact CG2-CB 4.21Å; I558-N587 PolarHBondContact N-O 3.38Å; I558-L588 HydrophobicContact CD1-CD1 3.74Å; I558-L588 HydrophobicContact CD1-CG 4.27Å; I558-L588 HydrophobicContact CG1-CB 4.24Å; I558-L588 HydrophobicContact CG1-CD1 3.87Å; I558-L588 HydrophobicContact CG1-CG 3.84Å; I558-L588 WeakPolarHBondContact O-CA 3.28Å; I558-I589 PolarHBondContact O-N 2.96Å; I558-I589 VanDerWaalsContact O-N 3.07Å
559A96.8Very high92.8Very high0 Ų032.5 Ų32.50%015%0.152CC..EExtended strand (participates in β ladder)trans-150.3130173.100000112.8I64 K65 F557 I589I64-A559 HydrophobicContact CG2-CB 3.83Å; K65-A559 WeakPolarHBondContact CD-O 3.23Å; K65-A559 HydrophobicContact CG-CB 4.02Å; F557-A559 HydrophobicContact CE1-CB 4.32Å; F557-A559 HydrophobicContact CE2-CB 3.87Å; F557-A559 HydrophobicContact CZ-CB 3.47Å; F557-A559 VanDerWaalsContact CZ-CB 3.47Å; A559-I589 VanDerWaalsContact CA-O 3.25Å; A559-I589 WeakPolarHBondContact CA-O 3.42Å; A559-I589 HydrophobicContact CB-CB 3.97Å; A559-I589 WeakPolarHBondContact CB-O 3.48Å
560E94.8Very high92.8Very high28 Ų2833 Ų3313%0.13115%0.154CC..EExtended strand (participates in β ladder)trans-153176.9174.4-69.1-59.2153.500111.4G46 K65 Q564 W568 F569 I589 V590 N591G46-E560 VanDerWaalsContact CA-OE1 3.26Å; G46-E560 WeakPolarHBondContact CA-OE1 3.43Å; G46-E560 PolarHBondContact N-OE1 3.48Å; K65-E560 IonicContact NZ-OE1 3.16Å; K65-E560 PolarHBondContact NZ-OE1 2.95Å; E560-Q564 HydrophobicContact CB-CB 4.12Å; E560-Q564 HydrophobicContact CB-CG 3.59Å; E560-Q564 HydrophobicContact CG-CG 4.23Å; E560-W568 HydrophobicContact CG-CE3 3.81Å; E560-W568 HydrophobicContact CG-CZ3 3.91Å; E560-F569 HydrophobicContact CB-CE1 3.73Å; E560-F569 HydrophobicContact CB-CZ 3.63Å; E560-F569 HydrophobicContact CG-CE1 4.21Å; E560-I589 PolarHBondContact N-O 3.36Å; E560-V590 WeakPolarHBondContact O-CA 3.42Å; E560-N591 PolarHBondContact O-N 3.45Å; E560-N591 VanDerWaalsContact O-N 3.09Å; E560-N591 PolarHBondContact O-OD1 3.36Å
561G91.6Very high92.8Very high5 Ų528.8 Ų28.85%0.05214%0.135CC..EExtended strand (participates in β ladder)trans-65.2155.7177.500000114.9D563 Q564 N591G561-D563 VanDerWaalsContact C-OD1 3.27Å; G561-D563 WeakPolarHBondContact CA-OD1 3.44Å; G561-D563 PolarHBondContact O-N 3.47Å; G561-D563 VanDerWaalsContact O-N 3.11Å; G561-Q564 VanDerWaalsContact O-CB 3.3Å; G561-Q564 WeakPolarHBondContact O-CB 3.35Å; G561-Q564 PolarHBondContact O-N 3.48Å; G561-N591 CarbonylContact C-O 3.5Å; G561-N591 WeakPolarHBondContact CA-O 3.26Å; G561-N591 PolarHBondContact N-OD1 3.47Å
562I91.4Very high93Very high11 Ų1123 Ų236%0.05611%0.108CC..G310 helixtrans-58-23178.1-166.6164.5000114V441 Q564 T565 V590 N591 L593V441-I562 HydrophobicContact CG2-CD1 4.3Å; I562-Q564 PolarHBondContact O-N 2.84Å; I562-T565 WeakPolarHBondContact O-CB 3.33Å; I562-T565 WeakPolarHBondContact O-CG2 3.35Å; I562-T565 PolarHBondContact O-N 2.89Å; I562-T565 PolarHBondContact O-OG1 2.95Å; I562-V590 VanDerWaalsContact CA-CG1 3.41Å; I562-V590 HydrophobicContact CB-CG1 3.7Å; I562-V590 HydrophobicContact CG1-CG1 4.04Å; I562-N591 PolarHBondContact N-O 3.25Å; I562-L593 HydrophobicContact CG2-CD1 4.32Å; I562-L593 HydrophobicContact CG2-CD2 4.36Å; I562-L593 HydrophobicContact CG2-CG 3.89Å
563D83.4Confident93.2Very high85 Ų8521.8 Ų21.846%0.45510%0.101SC..G310 helixtrans-62.9-27.2171.555-62.8000113G561 T565 R566G561-D563 VanDerWaalsContact C-OD1 3.27Å; G561-D563 WeakPolarHBondContact CA-OD1 3.44Å; G561-D563 PolarHBondContact O-N 3.47Å; G561-D563 VanDerWaalsContact O-N 3.11Å; D563-T565 PolarHBondContact O-N 3.47Å; D563-R566 PolarHBondContact O-N 2.69Å
564Q90.3Very high93.2Very high31 Ų3120.9 Ų20.915%0.14510%0.097CC..G310 helixtrans-71.2-9178.7-60.8-51.9-44.500114E560 G561 I562 R566 G567 W568 F569E560-Q564 HydrophobicContact CB-CB 4.12Å; E560-Q564 HydrophobicContact CB-CG 3.59Å; E560-Q564 HydrophobicContact CG-CG 4.23Å; G561-Q564 VanDerWaalsContact O-CB 3.3Å; G561-Q564 WeakPolarHBondContact O-CB 3.35Å; G561-Q564 PolarHBondContact O-N 3.48Å; I562-Q564 PolarHBondContact O-N 2.84Å; Q564-R566 PolarHBondContact O-N 3.36Å; Q564-R566 VanDerWaalsContact O-N 3.12Å; Q564-G567 CarbonylContact O-C 3.24Å; Q564-G567 PolarHBondContact O-N 3.46Å; Q564-W568 HydrophobicContact CB-CB 4.49Å; Q564-W568 PolarHBondContact O-N 2.77Å; Q564-W568 VanDerWaalsContact OE1-CB 3.27Å; Q564-F569 VanDerWaalsContact C-CD2 3.44Å; Q564-F569 HydrophobicContact CB-CD1 3.99Å; Q564-F569 HydrophobicContact CB-CD2 3.84Å; Q564-F569 HydrophobicContact CB-CE1 3.88Å; Q564-F569 HydrophobicContact CB-CE2 3.7Å; Q564-F569 HydrophobicContact CB-CG 3.98Å; Q564-F569 HydrophobicContact CB-CZ 3.74Å; Q564-F569 WeakPolarHBondContact O-CB 3.44Å; Q564-F569 WeakPolarHBondContact O-CG 3.33Å; Q564-F569 PolarHBondContact O-N 2.85Å; Q564-F569 VanDerWaalsContact O-N 3.11Å
565T88.2Confident93.2Very high9 Ų919.8 Ų19.86%0.0559%0.09CC..G310 helixtrans-59.2-19.2168.5570000113.4W436 V441 F446 I562 D563 F569W436-T565 HydrophobicContact CZ3-CG2 4.3Å; V441-T565 HydrophobicContact CG1-CG2 3.6Å; F446-T565 WeakPolarHBondContact CD2-O 3.36Å; F446-T565 WeakPolarHBondContact CE2-O 3.45Å; I562-T565 WeakPolarHBondContact O-CB 3.33Å; I562-T565 WeakPolarHBondContact O-CG2 3.35Å; I562-T565 PolarHBondContact O-N 2.89Å; I562-T565 PolarHBondContact O-OG1 2.95Å; D563-T565 PolarHBondContact O-N 3.47Å; T565-F569 HydrophobicContact CG2-CD2 4.16Å
566R83.4Confident93.2Very high193 Ų19320 Ų2073%0.7289%0.092SC*.G310 helixtrans-116.39.4174.8-61.1-177.8178.1-171.9-2.2113.1D563 Q564D563-R566 PolarHBondContact O-N 2.69Å; Q564-R566 PolarHBondContact O-N 3.36Å; Q564-R566 VanDerWaalsContact O-N 3.12Å
567G86.4Confident93.2Very high3 Ų319.3 Ų19.33%0.0319%0.088CC..THydrogen-bonded Turntrans-129.4-112.3-176.700000110Q564 F569 Y570 T571Q564-G567 CarbonylContact O-C 3.24Å; Q564-G567 PolarHBondContact O-N 3.46Å; G567-F569 PolarHBondContact O-N 3.07Å; G567-Y570 WeakPolarHBondContact O-CB 3.11Å; G567-Y570 PolarHBondContact O-N 2.84Å; G567-T571 PolarHBondContact O-N 3.49Å
568W92.4Very high93.1Very high4 Ų419.7 Ų19.72%0.0159%0.091CC..Hα-helixtrans-61.2-39.6-170.2-169.954.9000114.1G46 W528 S531 I558 E560 Q564 Y570 T571 L572G46-W568 VanDerWaalsContact CA-CH2 3.49Å; W528-W568 HydrophobicContact CZ3-CB 4.16Å; W528-W568 VanDerWaalsContact CZ3-N 3.3Å; S531-W568 PolarHBondContact O-NE1 3.1Å; I558-W568 HydrophobicContact CB-CH2 4.31Å; I558-W568 HydrophobicContact CB-CZ3 4.13Å; I558-W568 HydrophobicContact CD1-CE3 4.28Å; I558-W568 HydrophobicContact CD1-CH2 4.24Å; I558-W568 HydrophobicContact CD1-CZ3 3.72Å; I558-W568 HydrophobicContact CG1-CZ3 4.48Å; I558-W568 HydrophobicContact CG2-CH2 4.16Å; I558-W568 HydrophobicContact CG2-CZ3 4.46Å; E560-W568 HydrophobicContact CG-CE3 3.81Å; E560-W568 HydrophobicContact CG-CZ3 3.91Å; Q564-W568 HydrophobicContact CB-CB 4.49Å; Q564-W568 PolarHBondContact O-N 2.77Å; Q564-W568 VanDerWaalsContact OE1-CB 3.27Å; W568-Y570 VanDerWaalsContact C-N 3.28Å; W568-Y570 PolarHBondContact O-N 2.8Å; W568-T571 PolarHBondContact O-N 2.92Å; W568-T571 PolarHBondContact O-OG1 3.44Å; W568-L572 HydrophobicContact CD2-CD1 3.55Å; W568-L572 HydrophobicContact CD2-CG 4.22Å; W568-L572 VanDerWaalsContact CE2-CD1 3.41Å; W568-L572 HydrophobicContact CE3-CD1 3.86Å; W568-L572 HydrophobicContact CG-CD1 4.13Å; W568-L572 HydrophobicContact CG-CG 4.38Å; W568-L572 HydrophobicContact CH2-CD1 3.93Å; W568-L572 HydrophobicContact CZ2-CD1 3.63Å; W568-L572 HydrophobicContact CZ2-CD2 4.39Å; W568-L572 HydrophobicContact CZ2-CG 4.32Å; W568-L572 HydrophobicContact CZ3-CD1 4.05Å; W568-L572 VanDerWaalsContact O-CB 3.27Å; W568-L572 WeakPolarHBondContact O-CB 3.12Å; W568-L572 WeakPolarHBondContact O-CG 3.39Å; W568-L572 PolarHBondContact O-N 3.45Å
569F94.3Very high93.1Very high0 Ų020.4 Ų20.40%010%0.095CC..Hα-helixtrans-63.6-37.6-179.9-56.6-23.8000111.9W436 F446 I558 E560 Q564 T565 G567 L573 L588 V590W436-F569 HydrophobicContact CH2-CB 4.27Å; W436-F569 AromaticContact CH2-CD2 3.97Å; W436-F569 HydrophobicContact CH2-CD2 3.97Å; W436-F569 HydrophobicContact CH2-CG 4.38Å; W436-F569 HydrophobicContact CZ3-CD2 4.05Å; W436-F569 HydrophobicContact CZ3-CE2 4.43Å; F446-F569 HydrophobicContact CE2-CB 4.14Å; F446-F569 HydrophobicContact CZ-CB 4.09Å; I558-F569 HydrophobicContact CD1-CD1 3.98Å; I558-F569 HydrophobicContact CD1-CE1 4Å; E560-F569 HydrophobicContact CB-CE1 3.73Å; E560-F569 HydrophobicContact CB-CZ 3.63Å; E560-F569 HydrophobicContact CG-CE1 4.21Å; Q564-F569 VanDerWaalsContact C-CD2 3.44Å; Q564-F569 HydrophobicContact CB-CD1 3.99Å; Q564-F569 HydrophobicContact CB-CD2 3.84Å; Q564-F569 HydrophobicContact CB-CE1 3.88Å; Q564-F569 HydrophobicContact CB-CE2 3.7Å; Q564-F569 HydrophobicContact CB-CG 3.98Å; Q564-F569 HydrophobicContact CB-CZ 3.74Å; Q564-F569 WeakPolarHBondContact O-CB 3.44Å; Q564-F569 WeakPolarHBondContact O-CG 3.33Å; Q564-F569 PolarHBondContact O-N 2.85Å; Q564-F569 VanDerWaalsContact O-N 3.11Å; T565-F569 HydrophobicContact CG2-CD2 4.16Å; G567-F569 PolarHBondContact O-N 3.07Å; F569-L573 WeakPolarHBondContact O-CB 3.45Å; F569-L573 PolarHBondContact O-N 3.37Å; F569-L588 HydrophobicContact CD1-CD1 3.78Å; F569-L588 HydrophobicContact CD2-CD1 4.09Å; F569-L588 HydrophobicContact CE1-CD1 3.79Å; F569-L588 HydrophobicContact CE1-CD2 4.47Å; F569-L588 HydrophobicContact CE1-CG 4.34Å; F569-L588 HydrophobicContact CE2-CD1 4.11Å; F569-L588 HydrophobicContact CE2-CD2 3.94Å; F569-L588 HydrophobicContact CG-CD1 3.94Å; F569-L588 HydrophobicContact CZ-CD1 3.95Å; F569-L588 HydrophobicContact CZ-CD2 3.88Å; F569-L588 HydrophobicContact CZ-CG 4.22Å; F569-V590 HydrophobicContact CE2-CG2 4.23Å
570Y93.5Very high93.1Very high18 Ų1823 Ų237%0.07111%0.106CC..Hα-helixtrans-64.7-53.7175.9168.2-124.2000111.6V420 W449 L450 G567 W568 L572 L573 V574V420-Y570 HydrophobicContact CG1-CE2 4.46Å; W449-Y570 HydrophobicContact CE3-CD2 4.29Å; W449-Y570 AromaticContact CH2-CD1 3.44Å; W449-Y570 HydrophobicContact CH2-CD1 3.44Å; W449-Y570 VanDerWaalsContact CH2-CD1 3.44Å; W449-Y570 AromaticContact CH2-CD2 3.14Å; W449-Y570 HydrophobicContact CH2-CD2 3.14Å; W449-Y570 AromaticContact CH2-CE1 3.62Å; W449-Y570 HydrophobicContact CH2-CE1 3.62Å; W449-Y570 AromaticContact CH2-CE2 3.23Å; W449-Y570 HydrophobicContact CH2-CE2 3.23Å; W449-Y570 AromaticContact CH2-CG 3.13Å; W449-Y570 HydrophobicContact CH2-CG 3.13Å; W449-Y570 AromaticContact CH2-CZ 3.46Å; W449-Y570 VanDerWaalsContact CH2-CZ 3.46Å; W449-Y570 HydrophobicContact CZ2-CD1 4.44Å; W449-Y570 HydrophobicContact CZ2-CD2 4.48Å; W449-Y570 HydrophobicContact CZ2-CE1 4.42Å; W449-Y570 HydrophobicContact CZ2-CE2 4.36Å; W449-Y570 HydrophobicContact CZ2-CG 4.4Å; W449-Y570 HydrophobicContact CZ3-CD1 4.13Å; W449-Y570 AromaticContact CZ3-CD2 3Å; W449-Y570 HydrophobicContact CZ3-CD2 3Å; W449-Y570 HydrophobicContact CZ3-CE1 4.49Å; W449-Y570 AromaticContact CZ3-CE2 3.4Å; W449-Y570 HydrophobicContact CZ3-CE2 3.4Å; W449-Y570 VanDerWaalsContact CZ3-CE2 3.4Å; W449-Y570 AromaticContact CZ3-CG 3.32Å; W449-Y570 HydrophobicContact CZ3-CG 3.32Å; L450-Y570 HydrophobicContact CD2-CD2 4.03Å; L450-Y570 HydrophobicContact CD2-CE2 4.23Å; G567-Y570 WeakPolarHBondContact O-CB 3.11Å; G567-Y570 PolarHBondContact O-N 2.84Å; W568-Y570 VanDerWaalsContact C-N 3.28Å; W568-Y570 PolarHBondContact O-N 2.8Å; Y570-L572 VanDerWaalsContact C-N 3.33Å; Y570-L572 PolarHBondContact O-N 3.24Å; Y570-L573 PolarHBondContact O-N 3.3Å; Y570-L573 VanDerWaalsContact O-N 3.09Å; Y570-V574 HydrophobicContact CD1-CG2 4.48Å; Y570-V574 HydrophobicContact CD2-CG2 3.43Å; Y570-V574 VanDerWaalsContact CD2-CG2 3.43Å; Y570-V574 HydrophobicContact CE1-CG2 4.21Å; Y570-V574 HydrophobicContact CE2-CG2 3.17Å; Y570-V574 HydrophobicContact CG-CG2 4.19Å; Y570-V574 WeakPolarHBondContact O-CG2 3.46Å; Y570-V574 PolarHBondContact O-N 2.92Å
571T93.9Very high93.2Very high3 Ų323.8 Ų23.82%0.01812%0.122CC..Hα-helixtrans-69.4-35.9-171.8580000111.8W456 W528 G532 G567 W568 L573 V574 L575W456-T571 HydrophobicContact CH2-CG2 3.31Å; W456-T571 HydrophobicContact CZ2-CG2 3.53Å; W456-T571 HydrophobicContact CZ3-CG2 3.93Å; W528-T571 HydrophobicContact CB-CG2 3.74Å; W528-T571 VanDerWaalsContact O-CB 3.23Å; W528-T571 WeakPolarHBondContact O-CB 3.34Å; W528-T571 PolarHBondContact O-OG1 3.24Å; G532-T571 WeakPolarHBondContact CA-OG1 3.15Å; G567-T571 PolarHBondContact O-N 3.49Å; W568-T571 PolarHBondContact O-N 2.92Å; W568-T571 PolarHBondContact O-OG1 3.44Å; T571-L573 PolarHBondContact O-N 3.45Å; T571-V574 PolarHBondContact O-N 3.17Å; T571-L575 WeakPolarHBondContact O-CB 3.19Å; T571-L575 VanDerWaalsContact O-CG 3.29Å; T571-L575 WeakPolarHBondContact O-CG 3.35Å; T571-L575 PolarHBondContact O-N 3.1Å
572L96.7Very high93.4Very high1 Ų129 Ų291%0.00514%0.143CC..Hα-helixtrans-52.9-52.1167.1-84.3174.2000111.5P535 I558 W568 Y570 S576 P584 F585P535-L572 HydrophobicContact CG-CD2 3.33Å; I558-L572 HydrophobicContact CD1-CD1 3.91Å; W568-L572 HydrophobicContact CD2-CD1 3.55Å; W568-L572 HydrophobicContact CD2-CG 4.22Å; W568-L572 VanDerWaalsContact CE2-CD1 3.41Å; W568-L572 HydrophobicContact CE3-CD1 3.86Å; W568-L572 HydrophobicContact CG-CD1 4.13Å; W568-L572 HydrophobicContact CG-CG 4.38Å; W568-L572 HydrophobicContact CH2-CD1 3.93Å; W568-L572 HydrophobicContact CZ2-CD1 3.63Å; W568-L572 HydrophobicContact CZ2-CD2 4.39Å; W568-L572 HydrophobicContact CZ2-CG 4.32Å; W568-L572 HydrophobicContact CZ3-CD1 4.05Å; W568-L572 VanDerWaalsContact O-CB 3.27Å; W568-L572 WeakPolarHBondContact O-CB 3.12Å; W568-L572 WeakPolarHBondContact O-CG 3.39Å; W568-L572 PolarHBondContact O-N 3.45Å; Y570-L572 VanDerWaalsContact C-N 3.33Å; Y570-L572 PolarHBondContact O-N 3.24Å; L572-S576 WeakPolarHBondContact O-CB 3.37Å; L572-S576 PolarHBondContact O-N 3.39Å; L572-P584 HydrophobicContact CB-CB 4.19Å; L572-P584 HydrophobicContact CB-CG 3.83Å; L572-P584 HydrophobicContact CD2-CB 4.3Å; L572-F585 HydrophobicContact CD1-CD1 4.47Å
573L96.6Very high93.6Very high1 Ų129.2 Ų29.21%0.00515%0.146CC..Hα-helixtrans-67.3-41.6-176-175.665.1000111.8L427 N430 N431 F446 L450 F569 Y570 T571 T577L427-L573 HydrophobicContact CD2-CD2 4.44Å; L427-L573 HydrophobicContact CD2-CG 3.99Å; N430-L573 HydrophobicContact CB-CD1 3.94Å; N431-L573 HydrophobicContact CB-CD2 4.02Å; F446-L573 HydrophobicContact CE1-CD2 3.74Å; F446-L573 HydrophobicContact CZ-CD2 4.22Å; L450-L573 HydrophobicContact CD1-CD2 3.74Å; L450-L573 HydrophobicContact CD2-CD2 4.38Å; F569-L573 WeakPolarHBondContact O-CB 3.45Å; F569-L573 PolarHBondContact O-N 3.37Å; Y570-L573 PolarHBondContact O-N 3.3Å; Y570-L573 VanDerWaalsContact O-N 3.09Å; T571-L573 PolarHBondContact O-N 3.45Å; L573-T577 WeakPolarHBondContact O-CB 3.28Å; L573-T577 PolarHBondContact O-N 3.01Å; L573-T577 PolarHBondContact O-OG1 3.38Å
574V95.5Very high94.3Very high0 Ų025.2 Ų25.20%012%0.124CC..Hα-helixtrans-61-53.7177.6169.80000111.1V420 L427 W456 Y570 T571 T577 A578V420-V574 HydrophobicContact CG1-CG2 4.22Å; V420-V574 HydrophobicContact CG2-CG1 4.02Å; L427-V574 HydrophobicContact CD1-CG2 4.12Å; L427-V574 HydrophobicContact CD2-CB 4.48Å; L427-V574 HydrophobicContact CD2-CG2 4.04Å; W456-V574 HydrophobicContact CE3-CG1 4.21Å; W456-V574 HydrophobicContact CZ3-CG1 4.36Å; Y570-V574 HydrophobicContact CD1-CG2 4.48Å; Y570-V574 HydrophobicContact CD2-CG2 3.43Å; Y570-V574 VanDerWaalsContact CD2-CG2 3.43Å; Y570-V574 HydrophobicContact CE1-CG2 4.21Å; Y570-V574 HydrophobicContact CE2-CG2 3.17Å; Y570-V574 HydrophobicContact CG-CG2 4.19Å; Y570-V574 WeakPolarHBondContact O-CG2 3.46Å; Y570-V574 PolarHBondContact O-N 2.92Å; T571-V574 PolarHBondContact O-N 3.17Å; V574-T577 PolarHBondContact O-N 3.24Å; V574-A578 VanDerWaalsContact O-CB 3.26Å; V574-A578 WeakPolarHBondContact O-CB 3.42Å; V574-A578 PolarHBondContact O-N 3.12Å
575L97.3Very high94.6Very high1 Ų123.9 Ų23.91%0.00512%0.118CC..Hα-helixtrans-66.4-44-176.9-66.9170.5000111.3L166 W456 F529 T571 T577 A578 L579L166-L575 HydrophobicContact CD1-CD2 3.89Å; W456-L575 HydrophobicContact CH2-CD1 4.47Å; W456-L575 HydrophobicContact CZ3-CD1 4.47Å; W456-L575 HydrophobicContact CZ3-CD2 4.23Å; W456-L575 HydrophobicContact CZ3-CG 4.21Å; F529-L575 HydrophobicContact CD2-CD1 4.4Å; F529-L575 HydrophobicContact CD2-CD2 3.89Å; F529-L575 HydrophobicContact CE2-CD2 3.38Å; F529-L575 HydrophobicContact CZ-CD2 4Å; T571-L575 WeakPolarHBondContact O-CB 3.19Å; T571-L575 VanDerWaalsContact O-CG 3.29Å; T571-L575 WeakPolarHBondContact O-CG 3.35Å; T571-L575 PolarHBondContact O-N 3.1Å; L575-T577 VanDerWaalsContact C-N 3.33Å; L575-T577 PolarHBondContact O-N 2.96Å; L575-A578 PolarHBondContact O-N 2.93Å; L575-L579 VanDerWaalsContact O-CB 3.24Å; L575-L579 WeakPolarHBondContact O-CB 3.21Å; L575-L579 VanDerWaalsContact O-CG 3.28Å; L575-L579 WeakPolarHBondContact O-CG 3.25Å; L575-L579 PolarHBondContact O-N 3.36Å
576S97.7Very high95.1Very high4 Ų429.5 Ų29.53%0.02814%0.138CC..Hα-helixtrans-59.2-43.7176.3-178.20000112.5F553 L572 F580 G581 K582 P583F553-S576 WeakPolarHBondContact CZ-OG 3.48Å; L572-S576 WeakPolarHBondContact O-CB 3.37Å; L572-S576 PolarHBondContact O-N 3.39Å; S576-F580 CarbonylContact O-C 3.56Å; S576-F580 WeakPolarHBondContact O-CA 3.44Å; S576-F580 WeakPolarHBondContact O-CB 3.34Å; S576-F580 PolarHBondContact O-N 3.27Å; S576-G581 PolarHBondContact O-N 2.83Å; S576-G581 VanDerWaalsContact O-N 3.17Å; S576-K582 CarbonylContact C-O 3.58Å; S576-K582 WeakPolarHBondContact CB-O 3.46Å; S576-K582 PolarHBondContact OG-O 3.03Å; S576-P583 VanDerWaalsContact OG-C 3.32Å
577T97.3Very high95.8Very high9 Ų921.7 Ų21.76%0.05511%0.111CC..Hα-helixtrans-67.9-45178.4-61.40000111.2N426 L427 N430 L573 V574 L575 G581N426-T577 HydrophobicContact CB-CG2 3.62Å; L427-T577 HydrophobicContact CD2-CG2 3.97Å; L427-T577 HydrophobicContact CG-CG2 4.47Å; N430-T577 WeakPolarHBondContact ND2-CG2 3.46Å; N430-T577 PolarHBondContact ND2-OG1 3.32Å; L573-T577 WeakPolarHBondContact O-CB 3.28Å; L573-T577 PolarHBondContact O-N 3.01Å; L573-T577 PolarHBondContact O-OG1 3.38Å; V574-T577 PolarHBondContact O-N 3.24Å; L575-T577 VanDerWaalsContact C-N 3.33Å; L575-T577 PolarHBondContact O-N 2.96Å; T577-G581 VanDerWaalsContact O-CA 3.28Å; T577-G581 WeakPolarHBondContact O-CA 3.39Å; T577-G581 PolarHBondContact O-N 2.64Å
578A96.6Very high96.2Very high7 Ų721.6 Ų21.66%0.05811%0.11CC..Hα-helixtrans-68.8-36.4-178.900000113L166 K169 L171 L423 V574 L575L166-A578 HydrophobicContact CD2-CB 3.5Å; L166-A578 VanDerWaalsContact CD2-CB 3.5Å; K169-A578 PolarHBondContact NZ-O 2.91Å; L171-A578 HydrophobicContact CD1-CB 3.97Å; L423-A578 HydrophobicContact CD1-CB 3.8Å; V574-A578 VanDerWaalsContact O-CB 3.26Å; V574-A578 WeakPolarHBondContact O-CB 3.42Å; V574-A578 PolarHBondContact O-N 3.12Å; L575-A578 PolarHBondContact O-N 2.93Å
579L97.1Very high96.5Very high16 Ų1621.6 Ų21.68%0.08411%0.11CC..Hα-helixtrans-85.2-48.6-178.4-66.6173.1000112.2W161 A162 Q165 L166 K169 Y536 L575W161-L579 HydrophobicContact CZ3-CD1 4.3Å; A162-L579 HydrophobicContact CB-CD1 3.89Å; Q165-L579 HydrophobicContact CB-CD2 3.6Å; Q165-L579 HydrophobicContact CG-CD2 4.36Å; L166-L579 HydrophobicContact CD2-CD2 3.87Å; L166-L579 HydrophobicContact CD2-CG 4.26Å; L166-L579 HydrophobicContact CG-CD2 4.03Å; K169-L579 PolarHBondContact NZ-O 3Å; Y536-L579 HydrophobicContact CE1-CD1 3.78Å; Y536-L579 HydrophobicContact CE2-CD1 4.29Å; Y536-L579 VanDerWaalsContact OH-CD1 3.29Å; Y536-L579 WeakPolarHBondContact OH-CD1 3.44Å; L575-L579 VanDerWaalsContact O-CB 3.24Å; L575-L579 WeakPolarHBondContact O-CB 3.21Å; L575-L579 VanDerWaalsContact O-CG 3.28Å; L575-L579 WeakPolarHBondContact O-CG 3.25Å; L575-L579 PolarHBondContact O-N 3.36Å
580F96.7Very high96.6Very high53 Ų5321.6 Ų21.623%0.23211%0.11CC..Hα-helixtrans-118.4-9-167.2-52.3-72.7000114.6W161 Y536 Y541 F549 F553 S576 K582W161-F580 HydrophobicContact CH2-CE1 4.12Å; W161-F580 AromaticContact CH2-CZ 3.89Å; W161-F580 HydrophobicContact CH2-CZ 3.89Å; W161-F580 HydrophobicContact CZ3-CZ 4.21Å; Y536-F580 AromaticContact CD1-CE2 3.59Å; Y536-F580 HydrophobicContact CD1-CE2 3.59Å; Y536-F580 AromaticContact CD1-CZ 4Å; Y536-F580 HydrophobicContact CD1-CZ 4Å; Y536-F580 AromaticContact CE1-CE2 3.83Å; Y536-F580 HydrophobicContact CE1-CE2 3.83Å; Y536-F580 HydrophobicContact CG-CE2 4.46Å; Y536-F580 HydrophobicContact CG-CZ 4.45Å; Y541-F580 HydrophobicContact CE1-CE1 4.1Å; Y541-F580 HydrophobicContact CE1-CZ 4.13Å; F549-F580 AromaticContact CE1-CE1 3.98Å; F549-F580 HydrophobicContact CE1-CE1 3.98Å; F549-F580 HydrophobicContact CE1-CE2 4.44Å; F549-F580 AromaticContact CE1-CZ 3.83Å; F549-F580 HydrophobicContact CE1-CZ 3.83Å; F549-F580 HydrophobicContact CZ-CE1 4.38Å; F549-F580 HydrophobicContact CZ-CE2 4.03Å; F549-F580 AromaticContact CZ-CZ 3.84Å; F549-F580 HydrophobicContact CZ-CZ 3.84Å; F553-F580 HydrophobicContact CE1-CB 3.93Å; F553-F580 AromaticContact CE1-CD2 3.69Å; F553-F580 HydrophobicContact CE1-CD2 3.69Å; F553-F580 HydrophobicContact CE1-CE2 4.4Å; F553-F580 AromaticContact CE1-CG 3.86Å; F553-F580 HydrophobicContact CE1-CG 3.86Å; F553-F580 AromaticContact CZ-CD2 3.85Å; F553-F580 HydrophobicContact CZ-CD2 3.85Å; F553-F580 HydrophobicContact CZ-CE2 4.4Å; F553-F580 HydrophobicContact CZ-CG 4.46Å; S576-F580 CarbonylContact O-C 3.56Å; S576-F580 WeakPolarHBondContact O-CA 3.44Å; S576-F580 WeakPolarHBondContact O-CB 3.34Å; S576-F580 PolarHBondContact O-N 3.27Å; F580-K582 PolarHBondContact O-N 2.76Å
581G96.1Very high96.7Very high45 Ų4521 Ų2146%0.46411%0.108SC..SBendtrans65.719.8-178.700000114.3S576 T577S576-G581 PolarHBondContact O-N 2.83Å; S576-G581 VanDerWaalsContact O-N 3.17Å; T577-G581 VanDerWaalsContact O-CA 3.28Å; T577-G581 WeakPolarHBondContact O-CA 3.39Å; T577-G581 PolarHBondContact O-N 2.64Å
582K95.8Very high96.6Very high115 Ų11520.9 Ų20.950%0.511%0.107SC..SBendtrans-127.4159.1-177-68.8-179.8-175.4178.60110.7S576 F580S576-K582 CarbonylContact C-O 3.58Å; S576-K582 WeakPolarHBondContact CB-O 3.46Å; S576-K582 PolarHBondContact OG-O 3.03Å; F580-K582 PolarHBondContact O-N 2.76Å
583P97.3Very high96.3Very high16 Ų1623.9 Ų23.910%0.10412%0.123CC..  trans-64.7152.7165.429-34.6000110.5N430 K433 T434 P554 S576N430-P583 HydrophobicContact CB-CB 4.38Å; K433-P583 HydrophobicContact CB-CG 4.38Å; T434-P583 HydrophobicContact CG2-CB 3.55Å; T434-P583 HydrophobicContact CG2-CG 4.34Å; P554-P583 WeakPolarHBondContact CB-O 3.47Å; S576-P583 VanDerWaalsContact OG-C 3.32Å
584P96.8Very high96.1Very high1 Ų124.4 Ų24.41%0.00613%0.126CC..SBendtrans-80.5-22.2178.925.1-28.5000113.9F553 A555 L572F553-P584 HydrophobicContact CE2-CB 4.28Å; A555-P584 PolarHBondContact N-O 2.81Å; L572-P584 HydrophobicContact CB-CB 4.19Å; L572-P584 HydrophobicContact CB-CG 3.83Å; L572-P584 HydrophobicContact CD2-CB 4.3Å
585F97.6Very high95.8Very high2 Ų225.6 Ų25.61%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-143.9160.3-17854.2-99.8000110.7T434 W436 A555 I558 L572 L588T434-F585 HydrophobicContact CG2-CD2 4.14Å; T434-F585 HydrophobicContact CG2-CE2 3.89Å; T434-F585 VanDerWaalsContact CG2-O 3.25Å; T434-F585 WeakPolarHBondContact CG2-O 3.46Å; W436-F585 HydrophobicContact CZ2-CE2 4.39Å; W436-F585 HydrophobicContact CZ2-CZ 4.02Å; W436-F585 AromaticContact NE1-CE2 3.91Å; A555-F585 HydrophobicContact CB-CB 4.45Å; A555-F585 CarbonylContact O-C 3.56Å; A555-F585 WeakPolarHBondContact O-CA 3.31Å; I558-F585 HydrophobicContact CD1-CB 4.49Å; I558-F585 HydrophobicContact CD1-CD1 3.27Å; I558-F585 HydrophobicContact CD1-CE1 3.52Å; I558-F585 HydrophobicContact CD1-CG 3.86Å; I558-F585 HydrophobicContact CD1-CZ 4.27Å; I558-F585 HydrophobicContact CG1-CB 4.26Å; I558-F585 HydrophobicContact CG1-CD1 3.86Å; I558-F585 HydrophobicContact CG1-CD2 4.36Å; I558-F585 HydrophobicContact CG1-CE1 4.35Å; I558-F585 HydrophobicContact CG1-CG 3.89Å; I558-F585 HydrophobicContact CG2-CB 4.21Å; L572-F585 HydrophobicContact CD1-CD1 4.47Å; F585-L588 HydrophobicContact CD2-CB 4.01Å; F585-L588 HydrophobicContact CD2-CD1 4.29Å; F585-L588 HydrophobicContact CE1-CD1 3.9Å; F585-L588 HydrophobicContact CE2-CB 3.72Å; F585-L588 HydrophobicContact CE2-CD1 3.53Å; F585-L588 HydrophobicContact CE2-CG 4.25Å; F585-L588 HydrophobicContact CZ-CB 4.4Å; F585-L588 HydrophobicContact CZ-CD1 3.31Å; F585-L588 HydrophobicContact CZ-CG 4.46Å
586R97.7Very high95.4Very high128 Ų12825.6 Ų25.648%0.48313%0.133SC..EExtended strand (participates in β ladder)trans-93.4-48.7175.6-62.8178.5180169.8-3.2111.7Y435 P554 A555 D556Y435-R586 PolarHBondContact N-O 2.8Å; P554-R586 HydrophobicContact CB-CG 4.37Å; P554-R586 HydrophobicContact CG-CG 3.91Å; A555-R586 PolarHBondContact O-N 3.22Å; D556-R586 IonicContact OD1-CZ 3.57Å; D556-R586 IonicContact OD1-NE 3.58Å; D556-R586 IonicContact OD1-NH1 2.7Å; D556-R586 PolarHBondContact OD1-NH1 3.39Å
587N97.8Very high95Very high29 Ų2927.9 Ų27.916%0.15515%0.152CC..EExtended strand (participates in β ladder)trans-123.9138.6-175.2-51.3-81.3000111.5Y435 D556 F557 I558 Y712Y435-N587 CarbonylContact O-C 3.33Å; Y435-N587 WeakPolarHBondContact O-CA 3.46Å; D556-N587 VanDerWaalsContact O-CB 3.27Å; D556-N587 WeakPolarHBondContact O-CB 3.17Å; D556-N587 PolarHBondContact O-N 2.94Å; D556-N587 VanDerWaalsContact O-N 3.12Å; D556-N587 PolarHBondContact O-ND2 3.43Å; F557-N587 WeakPolarHBondContact CA-O 3.03Å; I558-N587 PolarHBondContact N-O 3.38Å; N587-Y712 HydrophobicContact CB-CD1 4.28Å; N587-Y712 HydrophobicContact CB-CD2 3.95Å; N587-Y712 HydrophobicContact CB-CE1 3.85Å; N587-Y712 HydrophobicContact CB-CE2 3.51Å; N587-Y712 HydrophobicContact CB-CG 4.31Å; N587-Y712 VanDerWaalsContact CB-CZ 3.44Å; N587-Y712 VanDerWaalsContact CG-CZ 3.46Å; N587-Y712 PolarHBondContact ND2-OH 2.67Å; N587-Y712 WeakPolarHBondContact OD1-CE2 3.47Å
588L96.8Very high94.5Very high1 Ų132.7 Ų32.71%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-134.4124.5-178.4-170.4156.2000111Y435 W436 V437 I558 F569 F585 V590Y435-L588 PolarHBondContact O-N 3.22Å; W436-L588 CarbonylContact C-O 3.58Å; W436-L588 WeakPolarHBondContact CA-O 3.46Å; W436-L588 HydrophobicContact CD2-CB 4.33Å; W436-L588 HydrophobicContact CD2-CD1 4.32Å; W436-L588 HydrophobicContact CD2-CD2 4.04Å; W436-L588 HydrophobicContact CD2-CG 4.48Å; W436-L588 HydrophobicContact CE3-CD1 4.38Å; W436-L588 HydrophobicContact CE3-CD2 3.72Å; W436-L588 HydrophobicContact CG-CB 4.33Å; W436-L588 HydrophobicContact CH2-CD1 3.98Å; W436-L588 HydrophobicContact CZ2-CD1 3.93Å; W436-L588 HydrophobicContact CZ3-CD1 4.2Å; W436-L588 HydrophobicContact CZ3-CD2 3.99Å; V437-L588 PolarHBondContact N-O 3.36Å; I558-L588 HydrophobicContact CD1-CD1 3.74Å; I558-L588 HydrophobicContact CD1-CG 4.27Å; I558-L588 HydrophobicContact CG1-CB 4.24Å; I558-L588 HydrophobicContact CG1-CD1 3.87Å; I558-L588 HydrophobicContact CG1-CG 3.84Å; I558-L588 WeakPolarHBondContact O-CA 3.28Å; F569-L588 HydrophobicContact CD1-CD1 3.78Å; F569-L588 HydrophobicContact CD2-CD1 4.09Å; F569-L588 HydrophobicContact CE1-CD1 3.79Å; F569-L588 HydrophobicContact CE1-CD2 4.47Å; F569-L588 HydrophobicContact CE1-CG 4.34Å; F569-L588 HydrophobicContact CE2-CD1 4.11Å; F569-L588 HydrophobicContact CE2-CD2 3.94Å; F569-L588 HydrophobicContact CG-CD1 3.94Å; F569-L588 HydrophobicContact CZ-CD1 3.95Å; F569-L588 HydrophobicContact CZ-CD2 3.88Å; F569-L588 HydrophobicContact CZ-CG 4.22Å; F585-L588 HydrophobicContact CD2-CB 4.01Å; F585-L588 HydrophobicContact CD2-CD1 4.29Å; F585-L588 HydrophobicContact CE1-CD1 3.9Å; F585-L588 HydrophobicContact CE2-CB 3.72Å; F585-L588 HydrophobicContact CE2-CD1 3.53Å; F585-L588 HydrophobicContact CE2-CG 4.25Å; F585-L588 HydrophobicContact CZ-CB 4.4Å; F585-L588 HydrophobicContact CZ-CD1 3.31Å; F585-L588 HydrophobicContact CZ-CG 4.46Å; L588-V590 HydrophobicContact CD2-CB 4.22Å; L588-V590 HydrophobicContact CD2-CG2 3.12Å
589I96.9Very high93.9Very high3 Ų333.7 Ų33.72%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-98.1121.3167-65170.8000109.1I64 V68 V437 F557 I558 A559 E560 Y712 L714I64-I589 HydrophobicContact CD1-CG2 4.47Å; I64-I589 HydrophobicContact CG2-CB 4.34Å; I64-I589 HydrophobicContact CG2-CD1 3.96Å; I64-I589 HydrophobicContact CG2-CG2 4.04Å; V68-I589 HydrophobicContact CG2-CD1 3.98Å; V437-I589 HydrophobicContact CB-CG1 4.39Å; V437-I589 CarbonylContact O-C 3.5Å; V437-I589 WeakPolarHBondContact O-CA 3.36Å; F557-I589 HydrophobicContact CE2-CB 4.12Å; F557-I589 HydrophobicContact CE2-CD1 3.63Å; F557-I589 HydrophobicContact CE2-CG1 3.79Å; F557-I589 HydrophobicContact CZ-CD1 4.05Å; I558-I589 PolarHBondContact O-N 2.96Å; I558-I589 VanDerWaalsContact O-N 3.07Å; A559-I589 VanDerWaalsContact CA-O 3.25Å; A559-I589 WeakPolarHBondContact CA-O 3.42Å; A559-I589 HydrophobicContact CB-CB 3.97Å; A559-I589 WeakPolarHBondContact CB-O 3.48Å; E560-I589 PolarHBondContact N-O 3.36Å; I589-Y712 HydrophobicContact CD1-CD1 4.12Å; I589-Y712 HydrophobicContact CG1-CD1 4.38Å; I589-L714 HydrophobicContact CD1-CD1 3.62Å
590V96.3Very high93.2Very high0 Ų034.3 Ų34.30%019%0.194CC..EExtended strand (participates in β ladder)trans-98.4112.5172.6-170.70000108.9W436 V437 V441 E560 I562 F569 L588W436-V590 HydrophobicContact CE3-CG2 3.63Å; W436-V590 HydrophobicContact CZ3-CG2 3.92Å; V437-V590 PolarHBondContact O-N 2.48Å; V441-V590 HydrophobicContact CB-CG2 4.24Å; V441-V590 HydrophobicContact CG1-CG1 4.32Å; V441-V590 HydrophobicContact CG1-CG2 3.91Å; V441-V590 HydrophobicContact CG2-CG1 4.49Å; E560-V590 WeakPolarHBondContact O-CA 3.42Å; I562-V590 VanDerWaalsContact CA-CG1 3.41Å; I562-V590 HydrophobicContact CB-CG1 3.7Å; I562-V590 HydrophobicContact CG1-CG1 4.04Å; F569-V590 HydrophobicContact CE2-CG2 4.23Å; L588-V590 HydrophobicContact CD2-CB 4.22Å; L588-V590 HydrophobicContact CD2-CG2 3.12Å
591N95.4Very high92.2Very high5 Ų539.8 Ų39.83%0.02722%0.218CC..EExtended strand (participates in β ladder)trans-86.1150.2168.666.4-95.4000111.4L60 I64 E560 G561 I562 V633L60-N591 HydrophobicContact CD2-CB 3.93Å; L60-N591 HydrophobicContact CG-CB 4.25Å; I64-N591 HydrophobicContact CD1-CB 3.71Å; E560-N591 PolarHBondContact O-N 3.45Å; E560-N591 VanDerWaalsContact O-N 3.09Å; E560-N591 PolarHBondContact O-OD1 3.36Å; G561-N591 CarbonylContact C-O 3.5Å; G561-N591 WeakPolarHBondContact CA-O 3.26Å; G561-N591 PolarHBondContact N-OD1 3.47Å; I562-N591 PolarHBondContact N-O 3.25Å; N591-V633 CarbonylContact C-O 3.56Å; N591-V633 VanDerWaalsContact CA-O 3.25Å; N591-V633 WeakPolarHBondContact CA-O 3.33Å
592G92.9Very high91.3Very high1 Ų138.6 Ų38.61%0.0120%0.2CC..  trans-78.1-166.3172.800000112.1V633 G636 D637G592-V633 PolarHBondContact N-O 3.09Å; G592-G636 VanDerWaalsContact CA-C 3.48Å; G592-D637 VanDerWaalsContact CA-O 3.27Å; G592-D637 WeakPolarHBondContact CA-O 3.36Å
593L89.8Confident90Very high64 Ų6435 Ų3534%0.33519%0.19SC..  trans-102.2130.1-174.6-63.9174.2000111I562 F638 L639I562-L593 HydrophobicContact CG2-CD1 4.32Å; I562-L593 HydrophobicContact CG2-CD2 4.36Å; I562-L593 HydrophobicContact CG2-CG 3.89Å; L593-F638 HydrophobicContact CB-CD1 3.9Å; L593-F638 HydrophobicContact CB-CE1 4.04Å; L593-F638 HydrophobicContact CD1-CE1 4.02Å; L593-F638 HydrophobicContact CG-CE1 4.43Å; L593-F638 WeakPolarHBondContact O-CA 3.44Å; L593-L639 PolarHBondContact O-N 3Å; L593-L639 VanDerWaalsContact O-N 3.13Å
594V92Very high88.3Confident12 Ų1239 Ų397%0.07321%0.205CC..EExtended strand (participates in β ladder)trans-79.6129.9166.9-168.60000108L60 M602 L628 V633 L639 F641L60-V594 HydrophobicContact CD2-CG2 3.83Å; V594-M602 HydrophobicContact CB-CE 3.55Å; V594-M602 HydrophobicContact CG1-CE 3.58Å; V594-M602 WeakPolarHBondContact O-CE 3.49Å; V594-L628 HydrophobicContact CG2-CD2 4.45Å; V594-V633 HydrophobicContact CG2-CG1 4.36Å; V594-L639 CarbonylContact C-O 3.49Å; V594-L639 HydrophobicContact CG1-CD2 4.37Å; V594-F641 HydrophobicContact CG1-CB 3.81Å; V594-F641 HydrophobicContact CG1-CD2 4.33Å
595L90.1Very high86.7Confident25 Ų2550.3 Ų50.313%0.13125%0.248CC..EExtended strand (participates in β ladder)trans-113.3162.9-180-57.3176.6000109.6F638 L639 F641L595-F638 HydrophobicContact CD1-CB 3.87Å; L595-F638 HydrophobicContact CD1-CD1 3.78Å; L595-F638 HydrophobicContact CD1-CG 4.06Å; L595-F638 HydrophobicContact CD2-CD1 4.28Å; L595-F638 HydrophobicContact CG-CB 4.47Å; L595-F638 HydrophobicContact CG-CD1 4.11Å; L595-L639 PolarHBondContact N-O 3.2Å; L595-F641 WeakPolarHBondContact O-CB 3.45Å; L595-F641 PolarHBondContact O-N 3.36Å
596A89.3Confident85.3Confident2 Ų256.9 Ų56.92%0.01728%0.277CS..  trans-64.3165.9167.400000110.8D598 G599 S600 M602 N608A596-D598 VanDerWaalsContact CB-OD1 3.29Å; A596-D598 WeakPolarHBondContact CB-OD1 3.34Å; A596-D598 PolarHBondContact O-N 2.71Å; A596-D598 VanDerWaalsContact O-N 3.1Å; A596-G599 PolarHBondContact O-N 3.25Å; A596-S600 PolarHBondContact N-O 2.84Å; A596-M602 HydrophobicContact CB-CG 4.2Å; A596-N608 HydrophobicContact CB-CB 4.15Å; A596-N608 WeakPolarHBondContact CB-ND2 3.41Å; A596-N608 VanDerWaalsContact CB-O 3.23Å; A596-N608 WeakPolarHBondContact CB-O 3.2Å
597A88.3Confident84.3Confident52 Ų5259.8 Ų59.843%0.4329%0.292SS..THydrogen-bonded Turntrans-57.8-27.8-176.800000113.5F641 R642A597-F641 WeakPolarHBondContact CA-O 3.47Å; A597-F641 WeakPolarHBondContact CB-O 3.42Å; A597-R642 HydrophobicContact CB-CG 4.39Å
598D86.9Confident83.5Confident110 Ų11060.2 Ų60.259%0.58830%0.295SS*.THydrogen-bonded Turntrans-81.4-11.1176.867-8.4000113.8A596 S600A596-D598 VanDerWaalsContact CB-OD1 3.29Å; A596-D598 WeakPolarHBondContact CB-OD1 3.34Å; A596-D598 PolarHBondContact O-N 2.71Å; A596-D598 VanDerWaalsContact O-N 3.1Å; D598-S600 VanDerWaalsContact CG-OG 3.26Å; D598-S600 VanDerWaalsContact OD1-CB 3.27Å; D598-S600 WeakPolarHBondContact OD1-CB 3.49Å; D598-S600 PolarHBondContact OD1-N 3.11Å; D598-S600 PolarHBondContact OD1-OG 2.64Å; D598-S600 PolarHBondContact OD2-OG 3.42Å; D598-S600 VanDerWaalsContact OD2-OG 3.08Å
599G85.2Confident83Confident28 Ų2862 Ų6229%0.28930%0.302SS..SBendtrans89.63-174.300000114.6A596A596-G599 PolarHBondContact O-N 3.25Å
600S80.6Confident82.6Confident28 Ų2864 Ų6420%0.19632%0.315CS..PPolyproline II helixtrans-75.9156.3172.770.30000111.5A596 D598 M602 N608A596-S600 PolarHBondContact N-O 2.84Å; D598-S600 VanDerWaalsContact CG-OG 3.26Å; D598-S600 VanDerWaalsContact OD1-CB 3.27Å; D598-S600 WeakPolarHBondContact OD1-CB 3.49Å; D598-S600 PolarHBondContact OD1-N 3.11Å; D598-S600 PolarHBondContact OD1-OG 2.64Å; D598-S600 PolarHBondContact OD2-OG 3.42Å; D598-S600 VanDerWaalsContact OD2-OG 3.08Å; S600-M602 PolarHBondContact O-N 3.4Å; S600-N608 PolarHBondContact OG-ND2 3.44Å
601K75.9Confident82.4Confident169 Ų16967.5 Ų67.574%0.73533%0.334SS*.BIsolated β-bridgetrans-62.4129.8173.3-169175.8-177.7178.20109.4S603 N608K601-S603 PolarHBondContact O-N 3.34Å; K601-N608 PolarHBondContact O-ND2 2.97Å
602M78Confident82.2Confident20 Ų2067.6 Ų67.610%0.09934%0.335CS..PPolyproline II helixtrans-63.6134.9174.4-72.2-169.3-73.600110.4Y56 V594 A596 S600 N608 Y609Y56-M602 HydrophobicContact CD2-CE 4.4Å; Y56-M602 HydrophobicContact CD2-SD 3.86Å; V594-M602 HydrophobicContact CB-CE 3.55Å; V594-M602 HydrophobicContact CG1-CE 3.58Å; V594-M602 WeakPolarHBondContact O-CE 3.49Å; A596-M602 HydrophobicContact CB-CG 4.2Å; S600-M602 PolarHBondContact O-N 3.4Å; M602-N608 WeakPolarHBondContact CA-OD1 3.43Å; M602-Y609 HydrophobicContact CB-CD1 3.73Å; M602-Y609 HydrophobicContact CB-CE1 4.09Å; M602-Y609 HydrophobicContact CB-CG 4.42Å; M602-Y609 HydrophobicContact CG-CD1 3.9Å; M602-Y609 HydrophobicContact CG-CG 4.17Å; M602-Y609 HydrophobicContact SD-CD1 4Å; M602-Y609 HydrophobicContact SD-CD2 4.28Å; M602-Y609 HydrophobicContact SD-CG 3.72Å
603S68.1Low82.3Confident40 Ų4069 Ų6928%0.2834%0.341SS..  trans-152141.5169.473.80000110.5K601 R605 K606 K607 N608K601-S603 PolarHBondContact O-N 3.34Å; S603-R605 PolarHBondContact O-N 2.93Å; S603-K606 PolarHBondContact O-N 3.33Å; S603-K606 WeakPolarHBondContact OG-CB 3.25Å; S603-K606 VanDerWaalsContact OG-CG 3.31Å; S603-K606 WeakPolarHBondContact OG-CG 3.42Å; S603-K606 PolarHBondContact OG-N 3.11Å; S603-K606 VanDerWaalsContact OG-N 3.16Å; S603-K607 PolarHBondContact O-N 3.42Å; S603-N608 PolarHBondContact N-OD1 3.29Å; S603-N608 PolarHBondContact O-OD1 2.85Å
604K61.8Low82.6Confident98 Ų9870.2 Ų70.243%0.42635%0.348SS..G310 helixtrans-55.7-37.1173.9-73.5-179.5-177.7164.30111.9G52 L53 K606 K607 Y609G52-K604 VanDerWaalsContact C-NZ 3.3Å; L53-K604 WeakPolarHBondContact O-CE 3.49Å; L53-K604 PolarHBondContact O-NZ 2.83Å; K604-K606 VanDerWaalsContact C-N 3.28Å; K604-K606 PolarHBondContact O-N 2.91Å; K604-K607 WeakPolarHBondContact O-CG 3.25Å; K604-K607 PolarHBondContact O-N 3.22Å; K604-K607 VanDerWaalsContact O-N 3.17Å; K604-Y609 WeakPolarHBondContact CG-OH 3.33Å
605R64.3Low82.7Confident239 Ų23969.7 Ų69.790%0.90235%0.345SS*.G310 helixtrans-60.2-36.3178.2-169.3179.3177-167.6-1.2112.6S603S603-R605 PolarHBondContact O-N 2.93Å
606K67.5Low83Confident141 Ų14168.5 Ų68.561%0.61334%0.339SS*.G310 helixtrans-85.9-12.6178.9-70.1-176.7178.4-171.80113.8S603 K604 N608S603-K606 PolarHBondContact O-N 3.33Å; S603-K606 WeakPolarHBondContact OG-CB 3.25Å; S603-K606 VanDerWaalsContact OG-CG 3.31Å; S603-K606 WeakPolarHBondContact OG-CG 3.42Å; S603-K606 PolarHBondContact OG-N 3.11Å; S603-K606 VanDerWaalsContact OG-N 3.16Å; K604-K606 VanDerWaalsContact C-N 3.28Å; K604-K606 PolarHBondContact O-N 2.91Å; K606-N608 HydrophobicContact CB-CB 4.1Å; K606-N608 PolarHBondContact O-N 3.41Å; K606-N608 VanDerWaalsContact O-N 3.09Å
607K75.8Confident83.3Confident188 Ų18873 Ų7382%0.81736%0.359SS*.THydrogen-bonded Turntrans45.139.6-173.6-63.5-173.3177.3-175.80112.8S603 K604S603-K607 PolarHBondContact O-N 3.42Å; K604-K607 WeakPolarHBondContact O-CG 3.25Å; K604-K607 PolarHBondContact O-N 3.22Å; K604-K607 VanDerWaalsContact O-N 3.17Å
608N82.3Confident83.7Confident38 Ų3876 Ų7620%0.20336%0.363CS..  trans-96.216.8-17164.3-25000113.9A596 S600 K601 M602 S603 K606A596-N608 HydrophobicContact CB-CB 4.15Å; A596-N608 WeakPolarHBondContact CB-ND2 3.41Å; A596-N608 VanDerWaalsContact CB-O 3.23Å; A596-N608 WeakPolarHBondContact CB-O 3.2Å; S600-N608 PolarHBondContact OG-ND2 3.44Å; K601-N608 PolarHBondContact O-ND2 2.97Å; M602-N608 WeakPolarHBondContact CA-OD1 3.43Å; S603-N608 PolarHBondContact N-OD1 3.29Å; S603-N608 PolarHBondContact O-OD1 2.85Å; K606-N608 HydrophobicContact CB-CB 4.1Å; K606-N608 PolarHBondContact O-N 3.41Å; K606-N608 VanDerWaalsContact O-N 3.09Å
609Y86Confident84.1Confident39 Ų3972.8 Ų72.815%0.15334%0.342CS..SBendtrans-146.7147.1176.364.7-87.6000110.2H55 Y56 M602 K604H55-Y609 HydrophobicContact CB-CE2 4.23Å; Y56-Y609 HydrophobicContact CD2-CD2 4.18Å; Y56-Y609 AromaticContact CE2-CD2 3.89Å; Y56-Y609 HydrophobicContact CE2-CD2 3.89Å; M602-Y609 HydrophobicContact CB-CD1 3.73Å; M602-Y609 HydrophobicContact CB-CE1 4.09Å; M602-Y609 HydrophobicContact CB-CG 4.42Å; M602-Y609 HydrophobicContact CG-CD1 3.9Å; M602-Y609 HydrophobicContact CG-CG 4.17Å; M602-Y609 HydrophobicContact SD-CD1 4Å; M602-Y609 HydrophobicContact SD-CD2 4.28Å; M602-Y609 HydrophobicContact SD-CG 3.72Å; K604-Y609 WeakPolarHBondContact CG-OH 3.33Å
610P89Confident84.6Confident45 Ų4571.4 Ų71.429%0.29233%0.329SS..  trans-68.8146177.126.6-31.2000110.7Y56 V615 F641Y56-P610 HydrophobicContact CE2-CG 4.37Å; Y56-P610 VanDerWaalsContact CE2-O 3.27Å; Y56-P610 WeakPolarHBondContact CE2-O 3.47Å; Y56-P610 PolarHBondContact OH-O 2.7Å; P610-V615 HydrophobicContact CB-CG2 4.24Å; P610-V615 HydrophobicContact CG-CG2 4.27Å; P610-F641 HydrophobicContact CG-CD1 4.19Å; P610-F641 HydrophobicContact CG-CE1 3.76Å
611D90.7Very high85.5Confident74 Ų7470.1 Ų70.140%0.39632%0.319SS..  trans-58.3128.9177-166-56.5000109.8M613 D614 V615D611-M613 PolarHBondContact O-N 3.45Å; D611-M613 PolarHBondContact OD1-N 3.31Å; D611-D614 HydrophobicContact CB-CB 4.21Å; D611-D614 PolarHBondContact O-N 3.17Å; D611-V615 PolarHBondContact O-N 3.28Å
612P92.6Very high86.5Confident7 Ų762.2 Ų62.25%0.04529%0.285CS..Hα-helixtrans-55.9-35.7178.2-25.734.3000114.3Y56 I59 V615 V616Y56-P612 HydrophobicContact CD1-CG 4.48Å; Y56-P612 HydrophobicContact CE1-CB 4.05Å; Y56-P612 HydrophobicContact CE1-CG 4.13Å; Y56-P612 HydrophobicContact CE2-CG 4.4Å; I59-P612 HydrophobicContact CD1-CB 3.34Å; I59-P612 HydrophobicContact CD1-CG 3.73Å; P612-V615 PolarHBondContact O-N 3.19Å; P612-V616 WeakPolarHBondContact O-CG2 3.41Å; P612-V616 PolarHBondContact O-N 2.93Å
613M94.6Very high87.4Confident30 Ų3061.3 Ų61.315%0.14828%0.281CS..Hα-helixtrans-71.3-34.5-179.5-67.8-57.4-61.300111.8I134 R137 D611 V615 V616 H617I134-M613 HydrophobicContact CB-SD 4.25Å; I134-M613 HydrophobicContact CD1-CG 4.49Å; I134-M613 HydrophobicContact CG1-CG 4.08Å; I134-M613 HydrophobicContact CG1-SD 3.97Å; I134-M613 HydrophobicContact CG2-SD 3.84Å; R137-M613 HydrophobicContact CB-CE 4.02Å; R137-M613 HydrophobicContact CG-CE 3.67Å; R137-M613 HydrophobicContact CG-SD 4.48Å; D611-M613 PolarHBondContact O-N 3.45Å; D611-M613 PolarHBondContact OD1-N 3.31Å; M613-V615 VanDerWaalsContact C-N 3.28Å; M613-V615 PolarHBondContact O-N 3Å; M613-V616 PolarHBondContact O-N 3.25Å; M613-H617 WeakPolarHBondContact O-CB 3.19Å; M613-H617 PolarHBondContact O-N 2.59Å; M613-H617 PolarHBondContact O-ND1 3.32Å; M613-H617 VanDerWaalsContact O-ND1 3.13Å
614D94.6Very high88.7Confident90 Ų9059.4 Ų59.448%0.48127%0.268SS..Hα-helixtrans-61.7-39.3172.7-69.9-19000111.3D611 K618D611-D614 HydrophobicContact CB-CB 4.21Å; D611-D614 PolarHBondContact O-N 3.17Å; D614-K618 WeakPolarHBondContact O-CB 3.48Å; D614-K618 VanDerWaalsContact O-CG 3.26Å; D614-K618 WeakPolarHBondContact O-CG 3.32Å; D614-K618 PolarHBondContact O-N 3.48Å; D614-K618 VanDerWaalsContact O-N 3.14Å
615V95.8Very high90.4Very high0 Ų054.8 Ų54.80%025%0.248CC..Hα-helixtrans-67.8-42176.2177.10000111Y56 P610 D611 P612 M613 K618 Y619 L624 E643 V646Y56-V615 VanDerWaalsContact OH-CG2 3.26Å; Y56-V615 WeakPolarHBondContact OH-CG2 3.41Å; P610-V615 HydrophobicContact CB-CG2 4.24Å; P610-V615 HydrophobicContact CG-CG2 4.27Å; D611-V615 PolarHBondContact O-N 3.28Å; P612-V615 PolarHBondContact O-N 3.19Å; M613-V615 VanDerWaalsContact C-N 3.28Å; M613-V615 PolarHBondContact O-N 3Å; V615-K618 PolarHBondContact O-N 2.9Å; V615-Y619 HydrophobicContact CG1-CD2 3.84Å; V615-Y619 HydrophobicContact CG1-CE2 4.38Å; V615-Y619 WeakPolarHBondContact O-CD2 3.45Å; V615-Y619 PolarHBondContact O-N 2.83Å; V615-L624 HydrophobicContact CG1-CD1 4.4Å; V615-E643 HydrophobicContact CG2-CG 4.42Å; V615-V646 HydrophobicContact CG1-CB 4.46Å; V615-V646 HydrophobicContact CG1-CG1 4.15Å; V615-V646 HydrophobicContact CG1-CG2 4.23Å
616V96.4Very high91.9Very high0 Ų043.5 Ų43.50%021%0.205CC..Hα-helixtrans-65.4-42.6177.2171.80000111.7R137 L138 P612 M613 K618 G620 A621 L624R137-V616 HydrophobicContact CG-CG1 3.88Å; R137-V616 VanDerWaalsContact CZ-CG1 3.46Å; L138-V616 HydrophobicContact CD2-CG2 3.85Å; P612-V616 WeakPolarHBondContact O-CG2 3.41Å; P612-V616 PolarHBondContact O-N 2.93Å; M613-V616 PolarHBondContact O-N 3.25Å; V616-K618 VanDerWaalsContact C-N 3.26Å; V616-K618 PolarHBondContact O-N 2.87Å; V616-G620 WeakPolarHBondContact O-CA 3.32Å; V616-G620 PolarHBondContact O-N 3.32Å; V616-A621 HydrophobicContact CG1-CB 4.21Å; V616-L624 HydrophobicContact CG2-CD2 3.81Å
617H95.9Very high93.2Very high97 Ų9738 Ų3845%0.44918%0.181SC..Hα-helixtrans-66.1-27.9176.6-64145.5000112.8P12 M613P12-H617 WeakPolarHBondContact CB-O 3.4Å; P12-H617 VanDerWaalsContact CG-O 3.26Å; P12-H617 WeakPolarHBondContact CG-O 3.31Å; M613-H617 WeakPolarHBondContact O-CB 3.19Å; M613-H617 PolarHBondContact O-N 2.59Å; M613-H617 PolarHBondContact O-ND1 3.32Å; M613-H617 VanDerWaalsContact O-ND1 3.13Å
618K95.4Very high94.1Very high116 Ų11629.1 Ų29.150%0.50414%0.142SC..Hα-helixtrans-82-42.8176.6-74.1174.9-174.4173.50113.8D614 V615 V616 E643D614-K618 WeakPolarHBondContact O-CB 3.48Å; D614-K618 VanDerWaalsContact O-CG 3.26Å; D614-K618 WeakPolarHBondContact O-CG 3.32Å; D614-K618 PolarHBondContact O-N 3.48Å; D614-K618 VanDerWaalsContact O-N 3.14Å; V615-K618 PolarHBondContact O-N 2.9Å; V616-K618 VanDerWaalsContact C-N 3.26Å; V616-K618 PolarHBondContact O-N 2.87Å; K618-E643 WeakPolarHBondContact CD-OE1 3.48Å; K618-E643 IonicContact NZ-OE1 3.64Å; K618-E643 PolarHBondContact NZ-OE1 2.75Å; K618-E643 IonicContact NZ-OE2 3.06Å
619Y96.2Very high94.7Very high41 Ų4127.3 Ų27.316%0.16113%0.133CC..Hα-helixtrans-123.8-14.5-167.3-48.9-69000114.4V615 E643 V646 R647 L650V615-Y619 HydrophobicContact CG1-CD2 3.84Å; V615-Y619 HydrophobicContact CG1-CE2 4.38Å; V615-Y619 WeakPolarHBondContact O-CD2 3.45Å; V615-Y619 PolarHBondContact O-N 2.83Å; Y619-E643 HydrophobicContact CE2-CG 3.51Å; Y619-E643 VanDerWaalsContact CE2-OE1 3.24Å; Y619-E643 WeakPolarHBondContact CE2-OE1 3.25Å; Y619-E643 PolarHBondContact OH-OE1 3.41Å; Y619-V646 HydrophobicContact CD2-CB 4.45Å; Y619-V646 HydrophobicContact CD2-CG1 4.06Å; Y619-V646 HydrophobicContact CG-CG1 4.14Å; Y619-R647 HydrophobicContact CD1-CB 4.2Å; Y619-R647 HydrophobicContact CD1-CG 4.41Å; Y619-R647 HydrophobicContact CE1-CB 3.75Å; Y619-R647 HydrophobicContact CE1-CG 3.85Å; Y619-L650 WeakPolarHBondContact O-CD1 3.46Å
620G96.2Very high95Very high0 Ų028.4 Ų28.40%014%0.141CC..  trans94.7156-176.700000113.5E15 V616 L624E15-G620 WeakPolarHBondContact OE1-CA 3.44Å; E15-G620 VanDerWaalsContact OE2-CA 3.26Å; E15-G620 WeakPolarHBondContact OE2-CA 3.41Å; V616-G620 WeakPolarHBondContact O-CA 3.32Å; V616-G620 PolarHBondContact O-N 3.32Å; G620-L624 PolarHBondContact O-N 3.27Å
621A97.7Very high95.1Very high0 Ų026.9 Ų26.90%013%0.131CC..Hα-helixtrans-67.3-39.2176.200000111.9E15 V616 A623 L624 R625 F773E15-A621 PolarHBondContact OE1-N 2.88Å; E15-A621 PolarHBondContact OE2-N 2.89Å; V616-A621 HydrophobicContact CG1-CB 4.21Å; A621-A623 VanDerWaalsContact C-N 3.31Å; A621-A623 PolarHBondContact O-N 2.99Å; A621-L624 PolarHBondContact O-N 3.43Å; A621-R625 WeakPolarHBondContact O-CB 3.25Å; A621-R625 WeakPolarHBondContact O-CG 3.47Å; A621-R625 PolarHBondContact O-N 2.68Å; A621-F773 HydrophobicContact CB-CD2 4.15Å; A621-F773 HydrophobicContact CB-CE2 3.7Å
622D97.7Very high95.1Very high3 Ų326.5 Ų26.52%0.01613%0.133CC..Hα-helixtrans-62.1-40-179.9-82.9-9.6000111.7E15 R625 L626 F654 T771 P772 F773 I774E15-D622 PolarHBondContact OE1-N 3.45Å; D622-R625 PolarHBondContact O-N 2.98Å; D622-L626 WeakPolarHBondContact O-CB 3.34Å; D622-L626 PolarHBondContact O-N 3.49Å; D622-F654 HydrophobicContact CB-CE1 3.75Å; D622-F654 HydrophobicContact CB-CZ 3.91Å; D622-T771 HydrophobicContact CB-CG2 4.19Å; D622-T771 VanDerWaalsContact OD1-C 3.27Å; D622-T771 VanDerWaalsContact OD1-CA 3.26Å; D622-T771 WeakPolarHBondContact OD1-CA 3.26Å; D622-P772 WeakPolarHBondContact OD1-CD 3.25Å; D622-F773 WeakPolarHBondContact OD1-CD2 3.36Å; D622-F773 PolarHBondContact OD1-N 2.95Å; D622-F773 WeakPolarHBondContact OD2-CB 3.44Å; D622-F773 PolarHBondContact OD2-N 3.29Å; D622-I774 WeakPolarHBondContact OD2-CG2 3.47Å; D622-I774 PolarHBondContact OD2-N 2.97Å
623A96.4Very high95Very high2 Ų226.1 Ų26.12%0.01713%0.131CC..Hα-helixtrans-64.5-44.9176.500000111.7A621 Y627 V646 F654A621-A623 VanDerWaalsContact C-N 3.31Å; A621-A623 PolarHBondContact O-N 2.99Å; A623-Y627 WeakPolarHBondContact O-CB 3.33Å; A623-Y627 PolarHBondContact O-N 3.45Å; A623-V646 HydrophobicContact CB-CG1 3.87Å; A623-F654 HydrophobicContact CB-CE2 4.18Å
624L97Very high94.8Very high0 Ų025 Ų250%013%0.125CC..Hα-helixtrans-64.3-44.8177.4178.259000111.7Y56 I59 L138 V615 V616 G620 A621 Y627 L628 F641 V646Y56-L624 HydrophobicContact CD1-CD1 4.03Å; Y56-L624 HydrophobicContact CE1-CD1 3.83Å; Y56-L624 HydrophobicContact CE1-CD2 4.17Å; I59-L624 HydrophobicContact CD1-CD2 4.39Å; I59-L624 HydrophobicContact CG2-CD2 4.3Å; L138-L624 HydrophobicContact CD2-CD2 4.06Å; V615-L624 HydrophobicContact CG1-CD1 4.4Å; V616-L624 HydrophobicContact CG2-CD2 3.81Å; G620-L624 PolarHBondContact O-N 3.27Å; A621-L624 PolarHBondContact O-N 3.43Å; L624-Y627 PolarHBondContact O-N 3.01Å; L624-L628 HydrophobicContact CD1-CD1 4.09Å; L624-L628 HydrophobicContact CD1-CG 4.2Å; L624-L628 HydrophobicContact CG-CD1 4.2Å; L624-L628 WeakPolarHBondContact O-CG 3.29Å; L624-L628 PolarHBondContact O-N 2.69Å; L624-L628 VanDerWaalsContact O-N 3.1Å; L624-F641 HydrophobicContact CD1-CE2 3.85Å; L624-F641 HydrophobicContact CD1-CZ 4.12Å; L624-V646 HydrophobicContact CD1-CG2 4.24Å
625R96.8Very high94.5Very high1 Ų126.8 Ų26.80%0.00413%0.125CC..Hα-helixtrans-56.4-53.7176.4-73.4169.969.3105.62.4110.3T63 D66 L138 A621 D622 Y627 L628 I629 P769 F770T63-R625 HydrophobicContact CG2-CB 3.84Å; T63-R625 HydrophobicContact CG2-CG 3.86Å; D66-R625 IonicContact OD2-CZ 2.95Å; D66-R625 VanDerWaalsContact OD2-CZ 3.26Å; D66-R625 IonicContact OD2-NH1 3.62Å; D66-R625 PolarHBondContact OD2-NH1 2.93Å; D66-R625 IonicContact OD2-NH2 3.99Å; D66-R625 PolarHBondContact OD2-NH2 2.92Å; L138-R625 WeakPolarHBondContact O-CD 3.27Å; L138-R625 PolarHBondContact O-NH1 3.36Å; L138-R625 VanDerWaalsContact O-NH1 3.08Å; A621-R625 WeakPolarHBondContact O-CB 3.25Å; A621-R625 WeakPolarHBondContact O-CG 3.47Å; A621-R625 PolarHBondContact O-N 2.68Å; D622-R625 PolarHBondContact O-N 2.98Å; R625-Y627 VanDerWaalsContact C-N 3.32Å; R625-Y627 PolarHBondContact O-N 2.74Å; R625-L628 PolarHBondContact O-N 2.94Å; R625-I629 WeakPolarHBondContact O-CG1 3.44Å; R625-I629 PolarHBondContact O-N 3.15Å; R625-I629 VanDerWaalsContact O-N 3.15Å; R625-P769 PolarHBondContact NH2-O 3.35Å; R625-F770 PolarHBondContact NE-O 3.36Å; R625-F770 VanDerWaalsContact NE-O 3.15Å
626L95.4Very high94.1Very high2 Ų227.1 Ų27.11%0.0113%0.129CC..Hα-helixtrans-63.8-37.4-176.7-161.960.4000111.7D622 I629 N630 L649 V653 F654 V718 T771D622-L626 WeakPolarHBondContact O-CB 3.34Å; D622-L626 PolarHBondContact O-N 3.49Å; L626-I629 HydrophobicContact CD1-CD1 3.98Å; L626-I629 HydrophobicContact CD1-CG1 4.24Å; L626-I629 WeakPolarHBondContact O-CG1 3.45Å; L626-N630 WeakPolarHBondContact O-CB 3.33Å; L626-N630 PolarHBondContact O-N 2.95Å; L626-L649 HydrophobicContact CB-CD2 4.25Å; L626-L649 HydrophobicContact CD2-CD2 3.59Å; L626-L649 HydrophobicContact CG-CD2 3.84Å; L626-V653 HydrophobicContact CD2-CG1 4.37Å; L626-F654 HydrophobicContact CB-CE2 4.26Å; L626-F654 HydrophobicContact CB-CZ 4.14Å; L626-F654 HydrophobicContact CD2-CE2 3.71Å; L626-F654 HydrophobicContact CD2-CZ 3.7Å; L626-V718 HydrophobicContact CD1-CG1 3.55Å; L626-V718 HydrophobicContact CG-CG1 4.33Å; L626-T771 HydrophobicContact CB-CG2 4.48Å; L626-T771 HydrophobicContact CD1-CG2 4.49Å; L626-T771 HydrophobicContact CD2-CG2 4.27Å
627Y95.3Very high93.8Very high26 Ų2631.5 Ų31.510%0.10215%0.152CC..Hα-helixtrans-60.9-47.2175172.3-106.9000112.6A623 L624 R625 N630 L639 F641 R642 V646 L649A623-Y627 WeakPolarHBondContact O-CB 3.33Å; A623-Y627 PolarHBondContact O-N 3.45Å; L624-Y627 PolarHBondContact O-N 3.01Å; R625-Y627 VanDerWaalsContact C-N 3.32Å; R625-Y627 PolarHBondContact O-N 2.74Å; Y627-N630 PolarHBondContact O-N 2.94Å; Y627-L639 HydrophobicContact CE1-CD2 3.99Å; Y627-F641 HydrophobicContact CD1-CD2 4.35Å; Y627-F641 AromaticContact CD1-CE2 3.94Å; Y627-F641 HydrophobicContact CD1-CE2 3.94Å; Y627-F641 AromaticContact CE1-CD2 3.63Å; Y627-F641 HydrophobicContact CE1-CD2 3.63Å; Y627-F641 AromaticContact CE1-CE2 3.6Å; Y627-F641 HydrophobicContact CE1-CE2 3.6Å; Y627-F641 HydrophobicContact CE1-CG 4.47Å; Y627-F641 HydrophobicContact CE1-CZ 4.42Å; Y627-R642 PolarHBondContact OH-N 3.32Å; Y627-V646 HydrophobicContact CD1-CG2 3.68Å; Y627-V646 HydrophobicContact CD2-CG2 4.47Å; Y627-V646 HydrophobicContact CE1-CG2 4.23Å; Y627-V646 HydrophobicContact CG-CG2 3.81Å; Y627-L649 HydrophobicContact CD2-CD1 4.09Å; Y627-L649 HydrophobicContact CG-CD1 4.38Å
628L95.2Very high93.6Very high0 Ų032.2 Ų32.20%015%0.154CC..Hα-helixtrans-65-43.3-178.2-70.3173.3000111.6I59 L60 V594 L624 R625 S631 V633 L639 F641I59-L628 HydrophobicContact CB-CD1 4.23Å; I59-L628 HydrophobicContact CG2-CD1 3.69Å; L60-L628 HydrophobicContact CB-CD1 4.36Å; L60-L628 HydrophobicContact CD1-CB 4.01Å; V594-L628 HydrophobicContact CG2-CD2 4.45Å; L624-L628 HydrophobicContact CD1-CD1 4.09Å; L624-L628 HydrophobicContact CD1-CG 4.2Å; L624-L628 HydrophobicContact CG-CD1 4.2Å; L624-L628 WeakPolarHBondContact O-CG 3.29Å; L624-L628 PolarHBondContact O-N 2.69Å; L624-L628 VanDerWaalsContact O-N 3.1Å; R625-L628 PolarHBondContact O-N 2.94Å; L628-S631 PolarHBondContact O-OG 3.08Å; L628-V633 VanDerWaalsContact O-CG2 3.32Å; L628-V633 WeakPolarHBondContact O-CG2 3.05Å; L628-L639 HydrophobicContact CD2-CD2 4.07Å; L628-F641 HydrophobicContact CD2-CD2 4.3Å; L628-F641 HydrophobicContact CD2-CE2 4.36Å
629I94.1Very high93.5Very high1 Ų127.6 Ų27.61%0.00514%0.135CC..Hα-helixtrans-80-21.5-178.566.6178000113.8T63 I67 R625 L626 S631 V634 V718 F770T63-I629 HydrophobicContact CG2-CG2 3.78Å; I67-I629 HydrophobicContact CD1-CD1 3.53Å; I67-I629 HydrophobicContact CD1-CG2 3.83Å; R625-I629 WeakPolarHBondContact O-CG1 3.44Å; R625-I629 PolarHBondContact O-N 3.15Å; R625-I629 VanDerWaalsContact O-N 3.15Å; L626-I629 HydrophobicContact CD1-CD1 3.98Å; L626-I629 HydrophobicContact CD1-CG1 4.24Å; L626-I629 WeakPolarHBondContact O-CG1 3.45Å; I629-S631 PolarHBondContact O-N 2.87Å; I629-V634 HydrophobicContact CB-CG1 4.29Å; I629-V634 HydrophobicContact CG2-CG1 4.48Å; I629-V634 VanDerWaalsContact O-CG2 3.28Å; I629-V634 WeakPolarHBondContact O-CG2 3.42Å; I629-V718 HydrophobicContact CB-CG2 4.28Å; I629-V718 HydrophobicContact CD1-CG2 3.61Å; I629-V718 HydrophobicContact CG1-CG1 4.29Å; I629-V718 HydrophobicContact CG1-CG2 3.71Å; I629-F770 HydrophobicContact CD1-CB 4.49Å; I629-F770 HydrophobicContact CD1-CD1 3.82Å
630N92.3Very high93.3Very high62 Ų6230.8 Ų30.833%0.33215%0.15SC..THydrogen-bonded Turntrans-84.726.6173.9-162.528.4000112.7L626 Y627 V718L626-N630 WeakPolarHBondContact O-CB 3.33Å; L626-N630 PolarHBondContact O-N 2.95Å; Y627-N630 PolarHBondContact O-N 2.94Å; N630-V718 HydrophobicContact CB-CB 4.44Å; N630-V718 HydrophobicContact CB-CG1 3.56Å
631S91.2Very high93.2Very high13 Ų1331 Ų319%0.09115%0.151CC..SBendtrans-129.3165.8-172.882.10000112.5L628 I629 V633 V634L628-S631 PolarHBondContact O-OG 3.08Å; I629-S631 PolarHBondContact O-N 2.87Å; S631-V633 PolarHBondContact O-N 3.45Å; S631-V633 WeakPolarHBondContact OG-CG2 3.37Å; S631-V634 WeakPolarHBondContact O-CG2 3.49Å; S631-V634 PolarHBondContact O-N 3.27Å
632P89.6Confident93Very high65 Ų6537.6 Ų37.642%0.42218%0.176SC..G310 helixtrans-59-18.2-177.5-25.635.4000114.9V634 R635 D637P632-V634 VanDerWaalsContact C-N 3.26Å; P632-V634 PolarHBondContact O-N 3.34Å; P632-R635 WeakPolarHBondContact O-CA 3.32Å; P632-R635 WeakPolarHBondContact O-CB 3.39Å; P632-R635 PolarHBondContact O-N 3.27Å; P632-D637 HydrophobicContact CB-CB 3.85Å; P632-D637 WeakPolarHBondContact O-CB 3.48Å; P632-D637 PolarHBondContact O-N 3.44Å
633V91.6Very high92.8Very high0 Ų039.4 Ų39.40%018%0.184CC..G310 helixtrans-61.7-29.4-179.2-66.10000113.7L60 N591 G592 V594 L628 S631 R635 G636 D637 L639L60-V633 HydrophobicContact CD1-CG2 3.71Å; L60-V633 HydrophobicContact CD2-CB 3.71Å; L60-V633 HydrophobicContact CD2-CG1 4.32Å; L60-V633 HydrophobicContact CD2-CG2 3.43Å; L60-V633 VanDerWaalsContact CD2-CG2 3.43Å; L60-V633 HydrophobicContact CG-CG2 4.23Å; N591-V633 CarbonylContact C-O 3.56Å; N591-V633 VanDerWaalsContact CA-O 3.25Å; N591-V633 WeakPolarHBondContact CA-O 3.33Å; G592-V633 PolarHBondContact N-O 3.09Å; V594-V633 HydrophobicContact CG2-CG1 4.36Å; L628-V633 VanDerWaalsContact O-CG2 3.32Å; L628-V633 WeakPolarHBondContact O-CG2 3.05Å; S631-V633 PolarHBondContact O-N 3.45Å; S631-V633 WeakPolarHBondContact OG-CG2 3.37Å; V633-R635 PolarHBondContact O-N 2.87Å; V633-R635 VanDerWaalsContact O-N 3.12Å; V633-G636 PolarHBondContact O-N 2.96Å; V633-G636 VanDerWaalsContact O-N 3.09Å; V633-D637 WeakPolarHBondContact CA-O 3.23Å; V633-D637 WeakPolarHBondContact CG1-O 3.22Å; V633-L639 HydrophobicContact CG1-CB 3.26Å
634V90.4Very high92.7Very high5 Ų544.1 Ų44.13%0.0321%0.205CC..G310 helixtrans-71.6-1.8174.5-68.80000112.9L60 I64 I629 S631 P632 F715L60-V634 HydrophobicContact CD1-CG1 4.46Å; I64-V634 HydrophobicContact CD1-CG1 4.11Å; I64-V634 HydrophobicContact CG1-CG1 4.41Å; I629-V634 HydrophobicContact CB-CG1 4.29Å; I629-V634 HydrophobicContact CG2-CG1 4.48Å; I629-V634 VanDerWaalsContact O-CG2 3.28Å; I629-V634 WeakPolarHBondContact O-CG2 3.42Å; S631-V634 WeakPolarHBondContact O-CG2 3.49Å; S631-V634 PolarHBondContact O-N 3.27Å; P632-V634 VanDerWaalsContact C-N 3.26Å; P632-V634 PolarHBondContact O-N 3.34Å; V634-F715 HydrophobicContact CB-CB 4.29Å; V634-F715 HydrophobicContact CG2-CB 3.5Å; V634-F715 VanDerWaalsContact CG2-CB 3.5Å
635R88.5Confident92.5Very high128 Ų12845 Ų4548%0.48322%0.215SC..G310 helixtrans-111.421171.3-57-177.4-175.7-1802112.6P438 P632 V633 D637 F715P438-R635 WeakPolarHBondContact CG-O 3.25Å; P632-R635 WeakPolarHBondContact O-CA 3.32Å; P632-R635 WeakPolarHBondContact O-CB 3.39Å; P632-R635 PolarHBondContact O-N 3.27Å; V633-R635 PolarHBondContact O-N 2.87Å; V633-R635 VanDerWaalsContact O-N 3.12Å; R635-D637 VanDerWaalsContact C-N 3.27Å; R635-D637 PolarHBondContact O-N 3.22Å; R635-F715 HydrophobicContact CG-CB 3.52Å; R635-F715 HydrophobicContact CG-CD1 3.93Å; R635-F715 HydrophobicContact CG-CD2 4.01Å; R635-F715 HydrophobicContact CG-CG 3.55Å; R635-F715 PolarHBondContact NH2-O 2.85Å
636G86.9Confident92.4Very high8 Ų845 Ų458%0.08222%0.215CC..THydrogen-bonded Turntrans76.19.4-179.800000115G592 V633G592-G636 VanDerWaalsContact CA-C 3.48Å; V633-G636 PolarHBondContact O-N 2.96Å; V633-G636 VanDerWaalsContact O-N 3.09Å
637D90.5Very high92.4Very high91 Ų9149.5 Ų49.549%0.48723%0.232SC..  trans-101.1175.3-174.2-130.8-20.8000113.2G592 P632 V633 R635G592-D637 VanDerWaalsContact CA-O 3.27Å; G592-D637 WeakPolarHBondContact CA-O 3.36Å; P632-D637 HydrophobicContact CB-CB 3.85Å; P632-D637 WeakPolarHBondContact O-CB 3.48Å; P632-D637 PolarHBondContact O-N 3.44Å; V633-D637 WeakPolarHBondContact CA-O 3.23Å; V633-D637 WeakPolarHBondContact CG1-O 3.22Å; R635-D637 VanDerWaalsContact C-N 3.27Å; R635-D637 PolarHBondContact O-N 3.22Å
638F90.9Very high92.3Very high113 Ų11351 Ų5150%0.49624%0.241SC..  trans-85141.4-178.7-58.4-81.9000113.3L593 L595L593-F638 HydrophobicContact CB-CD1 3.9Å; L593-F638 HydrophobicContact CB-CE1 4.04Å; L593-F638 HydrophobicContact CD1-CE1 4.02Å; L593-F638 HydrophobicContact CG-CE1 4.43Å; L593-F638 WeakPolarHBondContact O-CA 3.44Å; L595-F638 HydrophobicContact CD1-CB 3.87Å; L595-F638 HydrophobicContact CD1-CD1 3.78Å; L595-F638 HydrophobicContact CD1-CG 4.06Å; L595-F638 HydrophobicContact CD2-CD1 4.28Å; L595-F638 HydrophobicContact CG-CB 4.47Å; L595-F638 HydrophobicContact CG-CD1 4.11Å
639L93.3Very high92.2Very high18 Ų1851.7 Ų51.79%0.09425%0.245CC..EExtended strand (participates in β ladder)trans-116.2124.6166.1170.666.4000109.8L593 V594 L595 Y627 L628 V633 F641L593-L639 PolarHBondContact O-N 3Å; L593-L639 VanDerWaalsContact O-N 3.13Å; V594-L639 CarbonylContact C-O 3.49Å; V594-L639 HydrophobicContact CG1-CD2 4.37Å; L595-L639 PolarHBondContact N-O 3.2Å; Y627-L639 HydrophobicContact CE1-CD2 3.99Å; L628-L639 HydrophobicContact CD2-CD2 4.07Å; V633-L639 HydrophobicContact CG1-CB 3.26Å; L639-F641 PolarHBondContact O-N 2.93Å
640K93.3Very high92.1Very high108 Ų10852.8 Ų52.847%0.4725%0.251SS..EExtended strand (participates in β ladder)trans-82.5107164.3-62.4-175.8-176.8-172.50108.4R642K640-R642 PolarHBondContact O-N 3.37Å
641F94.2Very high92.1Very high5 Ų555.4 Ų55.42%0.02226%0.259CS..  trans-65.6131-176.4-173.9-86.9000111Y56 V594 L595 A597 P610 L624 Y627 L628 L639 V646Y56-F641 AromaticContact CD1-CD2 3.93Å; Y56-F641 HydrophobicContact CD1-CD2 3.93Å; Y56-F641 AromaticContact CD1-CE2 3.48Å; Y56-F641 HydrophobicContact CD1-CE2 3.48Å; Y56-F641 VanDerWaalsContact CD1-CE2 3.48Å; Y56-F641 AromaticContact CD1-CZ 3.89Å; Y56-F641 HydrophobicContact CD1-CZ 3.89Å; Y56-F641 HydrophobicContact CD2-CD1 4.23Å; Y56-F641 HydrophobicContact CD2-CD2 4.02Å; Y56-F641 HydrophobicContact CD2-CE1 4.42Å; Y56-F641 HydrophobicContact CD2-CE2 4.21Å; Y56-F641 HydrophobicContact CD2-CG 4.04Å; Y56-F641 HydrophobicContact CD2-CZ 4.41Å; Y56-F641 HydrophobicContact CE1-CD2 4.19Å; Y56-F641 AromaticContact CE1-CE1 4Å; Y56-F641 HydrophobicContact CE1-CE1 4Å; Y56-F641 AromaticContact CE1-CE2 3.43Å; Y56-F641 HydrophobicContact CE1-CE2 3.43Å; Y56-F641 VanDerWaalsContact CE1-CE2 3.43Å; Y56-F641 AromaticContact CE1-CZ 3.31Å; Y56-F641 HydrophobicContact CE1-CZ 3.31Å; Y56-F641 AromaticContact CE2-CD1 3.86Å; Y56-F641 HydrophobicContact CE2-CD1 3.86Å; Y56-F641 HydrophobicContact CE2-CD2 4.28Å; Y56-F641 AromaticContact CE2-CE1 3.74Å; Y56-F641 HydrophobicContact CE2-CE1 3.74Å; Y56-F641 HydrophobicContact CE2-CE2 4.18Å; Y56-F641 HydrophobicContact CE2-CG 4.14Å; Y56-F641 AromaticContact CE2-CZ 3.91Å; Y56-F641 HydrophobicContact CE2-CZ 3.91Å; Y56-F641 AromaticContact CG-CD2 3.85Å; Y56-F641 HydrophobicContact CG-CD2 3.85Å; Y56-F641 AromaticContact CG-CE2 3.89Å; Y56-F641 HydrophobicContact CG-CE2 3.89Å; Y56-F641 HydrophobicContact CG-CG 4.34Å; Y56-F641 HydrophobicContact CG-CZ 4.41Å; Y56-F641 AromaticContact CZ-CE1 3.51Å; Y56-F641 AromaticContact CZ-CE2 3.81Å; Y56-F641 AromaticContact CZ-CZ 3.33Å; V594-F641 HydrophobicContact CG1-CB 3.81Å; V594-F641 HydrophobicContact CG1-CD2 4.33Å; L595-F641 WeakPolarHBondContact O-CB 3.45Å; L595-F641 PolarHBondContact O-N 3.36Å; A597-F641 WeakPolarHBondContact CA-O 3.47Å; A597-F641 WeakPolarHBondContact CB-O 3.42Å; P610-F641 HydrophobicContact CG-CD1 4.19Å; P610-F641 HydrophobicContact CG-CE1 3.76Å; L624-F641 HydrophobicContact CD1-CE2 3.85Å; L624-F641 HydrophobicContact CD1-CZ 4.12Å; Y627-F641 HydrophobicContact CD1-CD2 4.35Å; Y627-F641 AromaticContact CD1-CE2 3.94Å; Y627-F641 HydrophobicContact CD1-CE2 3.94Å; Y627-F641 AromaticContact CE1-CD2 3.63Å; Y627-F641 HydrophobicContact CE1-CD2 3.63Å; Y627-F641 AromaticContact CE1-CE2 3.6Å; Y627-F641 HydrophobicContact CE1-CE2 3.6Å; Y627-F641 HydrophobicContact CE1-CG 4.47Å; Y627-F641 HydrophobicContact CE1-CZ 4.42Å; L628-F641 HydrophobicContact CD2-CD2 4.3Å; L628-F641 HydrophobicContact CD2-CE2 4.36Å; L639-F641 PolarHBondContact O-N 2.93Å; F641-V646 HydrophobicContact CE2-CG2 4.47Å; F641-V646 HydrophobicContact CZ-CG2 4.14Å
642R92Very high92.1Very high139 Ų13961.5 Ų61.553%0.52529%0.286SS..  trans-137.1124177.8-70.9-173-177.8-165.5-1.8109.7A597 Y627 K640 E644 G645A597-R642 HydrophobicContact CB-CG 4.39Å; Y627-R642 PolarHBondContact OH-N 3.32Å; K640-R642 PolarHBondContact O-N 3.37Å; R642-E644 WeakPolarHBondContact CB-OE2 3.23Å; R642-E644 PolarHBondContact O-N 2.98Å; R642-G645 PolarHBondContact O-N 3.41Å; R642-G645 VanDerWaalsContact O-N 3.1Å
643E93.7Very high92.3Very high41 Ų4158.6 Ų58.619%0.19227%0.268CS..Hα-helixtrans-59.9-32.7179.6-173.6178.7153.100111.3V615 K618 Y619 G645 V646 R647V615-E643 HydrophobicContact CG2-CG 4.42Å; K618-E643 WeakPolarHBondContact CD-OE1 3.48Å; K618-E643 IonicContact NZ-OE1 3.64Å; K618-E643 PolarHBondContact NZ-OE1 2.75Å; K618-E643 IonicContact NZ-OE2 3.06Å; Y619-E643 HydrophobicContact CE2-CG 3.51Å; Y619-E643 VanDerWaalsContact CE2-OE1 3.24Å; Y619-E643 WeakPolarHBondContact CE2-OE1 3.25Å; Y619-E643 PolarHBondContact OH-OE1 3.41Å; E643-G645 PolarHBondContact O-N 3.18Å; E643-V646 PolarHBondContact O-N 2.81Å; E643-V646 VanDerWaalsContact O-N 3.11Å; E643-R647 PolarHBondContact O-N 3.5Å
644E93.9Very high92.5Very high100 Ų10058.8 Ų58.847%0.46727%0.269SS..Hα-helixtrans-57.9-37.1177.2-58.881.3-17700112R642 V646 R647 D648R642-E644 WeakPolarHBondContact CB-OE2 3.23Å; R642-E644 PolarHBondContact O-N 2.98Å; E644-V646 VanDerWaalsContact C-N 3.3Å; E644-V646 PolarHBondContact O-N 3.44Å; E644-R647 WeakPolarHBondContact O-CB 3.29Å; E644-R647 PolarHBondContact O-N 2.85Å; E644-D648 WeakPolarHBondContact O-CB 3.28Å; E644-D648 PolarHBondContact O-N 3.25Å
645G93.4Very high92.8Very high20 Ų2061.3 Ų61.321%0.20628%0.281CS..Hα-helixtrans-65.6-32179.500000113.4R642 E643 L649R642-G645 PolarHBondContact O-N 3.41Å; R642-G645 VanDerWaalsContact O-N 3.1Å; E643-G645 PolarHBondContact O-N 3.18Å; G645-L649 PolarHBondContact O-N 3.38Å
646V94.9Very high93.1Very high0 Ų056.8 Ų56.80%027%0.269CS..Hα-helixtrans-69.8-44.7174.6-176.10000110.1V615 Y619 A623 L624 Y627 F641 E643 E644 D648 L649 L650V615-V646 HydrophobicContact CG1-CB 4.46Å; V615-V646 HydrophobicContact CG1-CG1 4.15Å; V615-V646 HydrophobicContact CG1-CG2 4.23Å; Y619-V646 HydrophobicContact CD2-CB 4.45Å; Y619-V646 HydrophobicContact CD2-CG1 4.06Å; Y619-V646 HydrophobicContact CG-CG1 4.14Å; A623-V646 HydrophobicContact CB-CG1 3.87Å; L624-V646 HydrophobicContact CD1-CG2 4.24Å; Y627-V646 HydrophobicContact CD1-CG2 3.68Å; Y627-V646 HydrophobicContact CD2-CG2 4.47Å; Y627-V646 HydrophobicContact CE1-CG2 4.23Å; Y627-V646 HydrophobicContact CG-CG2 3.81Å; F641-V646 HydrophobicContact CE2-CG2 4.47Å; F641-V646 HydrophobicContact CZ-CG2 4.14Å; E643-V646 PolarHBondContact O-N 2.81Å; E643-V646 VanDerWaalsContact O-N 3.11Å; E644-V646 VanDerWaalsContact C-N 3.3Å; E644-V646 PolarHBondContact O-N 3.44Å; V646-D648 VanDerWaalsContact C-N 3.34Å; V646-D648 PolarHBondContact O-N 2.68Å; V646-L649 PolarHBondContact O-N 2.96Å; V646-L650 PolarHBondContact O-N 3.09Å
647R94.8Very high93.5Very high96 Ų9656.4 Ų56.436%0.36227%0.265SS..Hα-helixtrans-62.5-40.7177.8-176.1-168.668.1-166.7-7112.3Y619 E643 E644 L650 K651Y619-R647 HydrophobicContact CD1-CB 4.2Å; Y619-R647 HydrophobicContact CD1-CG 4.41Å; Y619-R647 HydrophobicContact CE1-CB 3.75Å; Y619-R647 HydrophobicContact CE1-CG 3.85Å; E643-R647 PolarHBondContact O-N 3.5Å; E644-R647 WeakPolarHBondContact O-CB 3.29Å; E644-R647 PolarHBondContact O-N 2.85Å; R647-L650 WeakPolarHBondContact O-CB 3.17Å; R647-L650 PolarHBondContact O-N 3.15Å; R647-K651 PolarHBondContact O-N 3.26Å
648D93.8Very high93.8Very high57 Ų5752.3 Ų52.331%0.30524%0.243SC..Hα-helixtrans-69.1-38-177.3-63.8-14.7000110.5E644 V646 L650 K651 E652E644-D648 WeakPolarHBondContact O-CB 3.28Å; E644-D648 PolarHBondContact O-N 3.25Å; V646-D648 VanDerWaalsContact C-N 3.34Å; V646-D648 PolarHBondContact O-N 2.68Å; D648-L650 VanDerWaalsContact C-N 3.33Å; D648-L650 PolarHBondContact O-N 2.72Å; D648-K651 PolarHBondContact O-N 3.1Å; D648-K651 VanDerWaalsContact O-N 3.1Å; D648-E652 WeakPolarHBondContact O-CB 3.38Å; D648-E652 WeakPolarHBondContact O-CG 3.24Å; D648-E652 PolarHBondContact O-N 3.39Å
649L92.4Very high94Very high15 Ų1550.2 Ų50.28%0.07924%0.237CC..Hα-helixtrans-58.1-41.7171-113.4153.2000113.1L626 Y627 G645 V646 K651 V653 F654L626-L649 HydrophobicContact CB-CD2 4.25Å; L626-L649 HydrophobicContact CD2-CD2 3.59Å; L626-L649 HydrophobicContact CG-CD2 3.84Å; Y627-L649 HydrophobicContact CD2-CD1 4.09Å; Y627-L649 HydrophobicContact CG-CD1 4.38Å; G645-L649 PolarHBondContact O-N 3.38Å; V646-L649 PolarHBondContact O-N 2.96Å; L649-K651 VanDerWaalsContact C-N 3.31Å; L649-K651 PolarHBondContact O-N 3.14Å; L649-V653 HydrophobicContact CD2-CB 4.2Å; L649-V653 HydrophobicContact CD2-CG2 3.78Å; L649-V653 WeakPolarHBondContact O-CB 3.36Å; L649-V653 PolarHBondContact O-N 3.4Å; L649-F654 HydrophobicContact CD2-CE2 4.3Å; L649-F654 PolarHBondContact O-N 3.39Å
650L92.4Very high94.1Very high25 Ų2549.6 Ų49.613%0.13123%0.234CC..Iπ-helixtrans-60.8-41.7175.5-167.2150000111.5F11 Y619 V646 R647 D648 F654 L655F11-L650 HydrophobicContact CD2-CD1 3.8Å; F11-L650 HydrophobicContact CD2-CD2 4Å; F11-L650 HydrophobicContact CD2-CG 3.89Å; F11-L650 HydrophobicContact CE2-CD1 4.36Å; F11-L650 HydrophobicContact CE2-CD2 3.82Å; F11-L650 HydrophobicContact CE2-CG 3.93Å; Y619-L650 WeakPolarHBondContact O-CD1 3.46Å; V646-L650 PolarHBondContact O-N 3.09Å; R647-L650 WeakPolarHBondContact O-CB 3.17Å; R647-L650 PolarHBondContact O-N 3.15Å; D648-L650 VanDerWaalsContact C-N 3.33Å; D648-L650 PolarHBondContact O-N 2.72Å; L650-F654 PolarHBondContact O-N 2.97Å; L650-L655 HydrophobicContact CD2-CD1 3.96Å; L650-L655 HydrophobicContact CD2-CG 4.04Å; L650-L655 WeakPolarHBondContact O-CB 3.32Å; L650-L655 PolarHBondContact O-N 3.42Å
651K92.3Very high94.2Very high116 Ų11645 Ų4550%0.50421%0.214SC..Iπ-helixtrans-73.5-38.9179.2-70.7178.8-180178.20114.1R647 D648 L649 L655 P656R647-K651 PolarHBondContact O-N 3.26Å; D648-K651 PolarHBondContact O-N 3.1Å; D648-K651 VanDerWaalsContact O-N 3.1Å; L649-K651 VanDerWaalsContact C-N 3.31Å; L649-K651 PolarHBondContact O-N 3.14Å; K651-L655 HydrophobicContact CG-CD1 4.49Å; K651-P656 WeakPolarHBondContact O-CD 3.26Å
652E91.9Very high94.2Very high141 Ų14147 Ų4766%0.65922%0.221SC*.Iπ-helixtrans-91.2-21.5-171.3-67.1179.1-179.400113.2D648 P656D648-E652 WeakPolarHBondContact O-CB 3.38Å; D648-E652 WeakPolarHBondContact O-CG 3.24Å; D648-E652 PolarHBondContact O-N 3.39Å; E652-P656 WeakPolarHBondContact O-CG 3.2Å
653V94.4Very high94.4Very high5 Ų541.3 Ų41.33%0.0320%0.2CC..Iπ-helixtrans-122.4-61.6-174.2-172.30000111.8L626 L649 P656 W657 V722 I725L626-V653 HydrophobicContact CD2-CG1 4.37Å; L649-V653 HydrophobicContact CD2-CB 4.2Å; L649-V653 HydrophobicContact CD2-CG2 3.78Å; L649-V653 WeakPolarHBondContact O-CB 3.36Å; L649-V653 PolarHBondContact O-N 3.4Å; V653-P656 WeakPolarHBondContact O-CD 3.37Å; V653-W657 WeakPolarHBondContact O-CB 3.29Å; V653-W657 PolarHBondContact O-N 2.83Å; V653-V722 HydrophobicContact CG2-CG1 3.72Å; V653-V722 HydrophobicContact CG2-CG2 4.3Å; V653-I725 HydrophobicContact CG1-CB 4.46Å; V653-I725 HydrophobicContact CG1-CD1 3.54Å; V653-I725 HydrophobicContact CG1-CG2 4.26Å
654F95.5Very high94.4Very high4 Ų439.4 Ų39.42%0.01819%0.191CC..Iπ-helixtrans-68.8-44.6-171.6-69.5-88.2000112.7F11 D622 A623 L626 L649 L650 W657 F658 T771 I774F11-F654 HydrophobicContact CE1-CB 4.09Å; F11-F654 HydrophobicContact CE2-CB 4.26Å; F11-F654 HydrophobicContact CZ-CB 3.77Å; D622-F654 HydrophobicContact CB-CE1 3.75Å; D622-F654 HydrophobicContact CB-CZ 3.91Å; A623-F654 HydrophobicContact CB-CE2 4.18Å; L626-F654 HydrophobicContact CB-CE2 4.26Å; L626-F654 HydrophobicContact CB-CZ 4.14Å; L626-F654 HydrophobicContact CD2-CE2 3.71Å; L626-F654 HydrophobicContact CD2-CZ 3.7Å; L649-F654 HydrophobicContact CD2-CE2 4.3Å; L649-F654 PolarHBondContact O-N 3.39Å; L650-F654 PolarHBondContact O-N 2.97Å; F654-W657 PolarHBondContact O-N 3.46Å; F654-F658 VanDerWaalsContact O-CB 3.3Å; F654-F658 WeakPolarHBondContact O-CB 3.35Å; F654-F658 PolarHBondContact O-N 3.47Å; F654-T771 HydrophobicContact CE1-CG2 3.74Å; F654-T771 HydrophobicContact CZ-CG2 3.68Å; F654-I774 HydrophobicContact CD1-CD1 3.75Å; F654-I774 HydrophobicContact CD1-CG2 4.38Å; F654-I774 HydrophobicContact CE1-CG2 4.14Å
655L95.2Very high94.5Very high57 Ų5734.6 Ų34.630%0.29817%0.169SC..Hα-helixtrans-63-48.3177.2-83.5174.3000112.5I9 F11 L650 K651 W657 F658 N659I9-L655 HydrophobicContact CG2-CD2 4.23Å; F11-L655 HydrophobicContact CE2-CD2 4.03Å; F11-L655 HydrophobicContact CE2-CG 4.14Å; F11-L655 HydrophobicContact CZ-CD2 4.33Å; L650-L655 HydrophobicContact CD2-CD1 3.96Å; L650-L655 HydrophobicContact CD2-CG 4.04Å; L650-L655 WeakPolarHBondContact O-CB 3.32Å; L650-L655 PolarHBondContact O-N 3.42Å; K651-L655 HydrophobicContact CG-CD1 4.49Å; L655-W657 VanDerWaalsContact C-N 3.33Å; L655-W657 PolarHBondContact O-N 3.13Å; L655-F658 PolarHBondContact O-N 3.38Å; L655-N659 VanDerWaalsContact O-CB 3.32Å; L655-N659 WeakPolarHBondContact O-CB 3.27Å; L655-N659 PolarHBondContact O-N 2.89Å; L655-N659 PolarHBondContact O-ND2 2.87Å
656P95.6Very high94.4Very high34 Ų3437.2 Ų37.222%0.22118%0.176CC..Hα-helixtrans-57.7-42.7173.7-30.738.5000113.2K651 E652 V653 N659 A660 T729K651-P656 WeakPolarHBondContact O-CD 3.26Å; E652-P656 WeakPolarHBondContact O-CG 3.2Å; V653-P656 WeakPolarHBondContact O-CD 3.37Å; P656-N659 PolarHBondContact O-N 3.08Å; P656-A660 PolarHBondContact O-N 2.88Å; P656-T729 HydrophobicContact CB-CG2 3.95Å; P656-T729 WeakPolarHBondContact O-CG2 3.4Å
657W96.3Very high94.3Very high0 Ų037.9 Ų37.90%018%0.179CC..Hα-helixtrans-64.7-48.3177.9-17517.7000112.3V653 F654 L655 N659 A660 Y661 I725 L763 I764 M767 I774 T775 M778V653-W657 WeakPolarHBondContact O-CB 3.29Å; V653-W657 PolarHBondContact O-N 2.83Å; F654-W657 PolarHBondContact O-N 3.46Å; L655-W657 VanDerWaalsContact C-N 3.33Å; L655-W657 PolarHBondContact O-N 3.13Å; W657-N659 VanDerWaalsContact C-N 3.26Å; W657-N659 PolarHBondContact O-N 3.35Å; W657-A660 WeakPolarHBondContact O-CB 3.26Å; W657-A660 PolarHBondContact O-N 3.24Å; W657-A660 VanDerWaalsContact O-N 3.1Å; W657-Y661 PolarHBondContact O-N 3.09Å; W657-I725 HydrophobicContact CB-CG2 3.86Å; W657-I725 HydrophobicContact CD2-CD1 4.32Å; W657-I725 HydrophobicContact CE3-CD1 4.12Å; W657-I725 HydrophobicContact CG-CG2 4.49Å; W657-L763 HydrophobicContact CZ2-CD2 4.11Å; W657-L763 HydrophobicContact CZ2-CG 4.1Å; W657-I764 HydrophobicContact CZ2-CG2 3.79Å; W657-M767 HydrophobicContact CH2-CB 3.78Å; W657-M767 HydrophobicContact CH2-CE 4.32Å; W657-M767 HydrophobicContact CH2-CG 3.89Å; W657-M767 HydrophobicContact CZ2-CG 4.43Å; W657-M767 HydrophobicContact CZ3-CE 4.01Å; W657-I774 HydrophobicContact CE3-CD1 4.07Å; W657-I774 HydrophobicContact CE3-CG2 4.3Å; W657-I774 HydrophobicContact CH2-CG2 4.06Å; W657-I774 HydrophobicContact CZ3-CD1 4.36Å; W657-I774 HydrophobicContact CZ3-CG2 3.56Å; W657-T775 HydrophobicContact CH2-CG2 3.69Å; W657-T775 HydrophobicContact CZ2-CG2 4.45Å; W657-M778 HydrophobicContact CD2-CE 4.07Å; W657-M778 HydrophobicContact CD2-SD 4.39Å; W657-M778 HydrophobicContact CG-CE 4.15Å; W657-M778 HydrophobicContact CZ2-SD 3.99Å
658F96.5Very high94.2Very high5 Ų533.3 Ų33.32%0.02216%0.162CC..Hα-helixtrans-57.3-41.3174.6176.6-100.8000111.7V5 I9 F11 F654 L655 A660 Y661 R662 M777V5-F658 HydrophobicContact CG1-CE1 4.24Å; V5-F658 HydrophobicContact CG1-CE2 3.64Å; V5-F658 HydrophobicContact CG1-CZ 3.33Å; I9-F658 HydrophobicContact CB-CD1 4.3Å; I9-F658 HydrophobicContact CB-CE1 3.85Å; I9-F658 HydrophobicContact CB-CE2 4.15Å; I9-F658 HydrophobicContact CB-CZ 3.75Å; I9-F658 HydrophobicContact CD1-CD2 3.59Å; I9-F658 HydrophobicContact CD1-CE2 3.39Å; I9-F658 HydrophobicContact CD1-CG 4.28Å; I9-F658 HydrophobicContact CD1-CZ 3.93Å; I9-F658 HydrophobicContact CG1-CE2 4.31Å; I9-F658 HydrophobicContact CG1-CZ 4.38Å; I9-F658 HydrophobicContact CG2-CD1 3.68Å; I9-F658 HydrophobicContact CG2-CD2 4.39Å; I9-F658 HydrophobicContact CG2-CE1 3.71Å; I9-F658 HydrophobicContact CG2-CE2 4.42Å; I9-F658 HydrophobicContact CG2-CG 4.03Å; I9-F658 HydrophobicContact CG2-CZ 4.08Å; F11-F658 HydrophobicContact CZ-CB 4.28Å; F654-F658 VanDerWaalsContact O-CB 3.3Å; F654-F658 WeakPolarHBondContact O-CB 3.35Å; F654-F658 PolarHBondContact O-N 3.47Å; L655-F658 PolarHBondContact O-N 3.38Å; F658-A660 VanDerWaalsContact C-N 3.35Å; F658-A660 PolarHBondContact O-N 3.38Å; F658-Y661 HydrophobicContact CD2-CD1 4.01Å; F658-Y661 HydrophobicContact CD2-CE1 4.5Å; F658-Y661 HydrophobicContact CE2-CD1 4.11Å; F658-Y661 HydrophobicContact CE2-CE1 4.19Å; F658-Y661 WeakPolarHBondContact O-CB 3.28Å; F658-Y661 PolarHBondContact O-N 2.76Å; F658-R662 WeakPolarHBondContact O-CB 3.23Å; F658-R662 PolarHBondContact O-N 2.88Å; F658-M777 HydrophobicContact CD2-CE 4.15Å; F658-M777 HydrophobicContact CE2-CE 4.31Å
659N93.8Very high94.1Very high69 Ų6932.8 Ų32.837%0.36916%0.158SC..Hα-helixtrans-65.5-35.3177.2-76.2-42.6000112.7L655 P656 W657 F663L655-N659 VanDerWaalsContact O-CB 3.32Å; L655-N659 WeakPolarHBondContact O-CB 3.27Å; L655-N659 PolarHBondContact O-N 2.89Å; L655-N659 PolarHBondContact O-ND2 2.87Å; P656-N659 PolarHBondContact O-N 3.08Å; W657-N659 VanDerWaalsContact C-N 3.26Å; W657-N659 PolarHBondContact O-N 3.35Å; N659-F663 WeakPolarHBondContact O-CB 3.44Å; N659-F663 PolarHBondContact O-N 3.38Å
660A95.4Very high93.9Very high4 Ų435.9 Ų35.93%0.03317%0.172CC..Hα-helixtrans-66.3-43.9172.900000111.9P656 W657 F658 F663 L664 T729 V733P656-A660 PolarHBondContact O-N 2.88Å; W657-A660 WeakPolarHBondContact O-CB 3.26Å; W657-A660 PolarHBondContact O-N 3.24Å; W657-A660 VanDerWaalsContact O-N 3.1Å; F658-A660 VanDerWaalsContact C-N 3.35Å; F658-A660 PolarHBondContact O-N 3.38Å; A660-F663 PolarHBondContact O-N 3.11Å; A660-L664 PolarHBondContact O-N 3.1Å; A660-T729 HydrophobicContact CB-CG2 4.02Å; A660-V733 HydrophobicContact CB-CG2 4.28Å
661Y96.1Very high93.7Very high11 Ų1135 Ų354%0.04317%0.167CC..Hα-helixtrans-59-50.4173.3157-115000112V5 W657 F658 F663 L664 V665 M778 N781 L782V5-Y661 HydrophobicContact CB-CE1 4.36Å; V5-Y661 HydrophobicContact CG1-CD1 4.31Å; V5-Y661 HydrophobicContact CG1-CE1 3.84Å; V5-Y661 HydrophobicContact CG2-CD1 4.39Å; V5-Y661 HydrophobicContact CG2-CE1 3.51Å; V5-Y661 HydrophobicContact CG2-CE2 4.35Å; V5-Y661 VanDerWaalsContact CG2-CZ 3.48Å; V5-Y661 WeakPolarHBondContact CG2-OH 3.23Å; W657-Y661 PolarHBondContact O-N 3.09Å; F658-Y661 HydrophobicContact CD2-CD1 4.01Å; F658-Y661 HydrophobicContact CD2-CE1 4.5Å; F658-Y661 HydrophobicContact CE2-CD1 4.11Å; F658-Y661 HydrophobicContact CE2-CE1 4.19Å; F658-Y661 WeakPolarHBondContact O-CB 3.28Å; F658-Y661 PolarHBondContact O-N 2.76Å; Y661-F663 VanDerWaalsContact C-N 3.29Å; Y661-F663 PolarHBondContact O-N 3.25Å; Y661-L664 WeakPolarHBondContact O-CB 3.48Å; Y661-L664 PolarHBondContact O-N 2.69Å; Y661-L664 VanDerWaalsContact O-N 3.16Å; Y661-V665 HydrophobicContact CD2-CG2 3.96Å; Y661-V665 HydrophobicContact CE2-CG2 3.46Å; Y661-V665 VanDerWaalsContact CE2-CG2 3.46Å; Y661-V665 PolarHBondContact O-N 2.96Å; Y661-M778 HydrophobicContact CD1-CE 4.2Å; Y661-M778 HydrophobicContact CD1-CG 4.1Å; Y661-M778 HydrophobicContact CD2-CG 4.39Å; Y661-M778 HydrophobicContact CE1-CG 4.35Å; Y661-M778 HydrophobicContact CG-CE 4.23Å; Y661-M778 HydrophobicContact CG-CG 4.1Å; Y661-M778 HydrophobicContact CG-SD 4.36Å; Y661-N781 HydrophobicContact CE2-CB 4.44Å; Y661-N781 WeakPolarHBondContact OH-CB 3.4Å; Y661-N781 PolarHBondContact OH-ND2 3.28Å; Y661-L782 HydrophobicContact CD2-CD1 3.98Å; Y661-L782 HydrophobicContact CD2-CD2 3.86Å; Y661-L782 HydrophobicContact CD2-CG 3.94Å; Y661-L782 HydrophobicContact CE2-CD1 4.29Å; Y661-L782 HydrophobicContact CE2-CD2 3.79Å; Y661-L782 HydrophobicContact CE2-CG 3.78Å
662R94.9Very high93.5Very high47 Ų4730.9 Ų30.918%0.17715%0.15CC..Hα-helixtrans-58.5-43175.9174.8173.3155.8-122.8-4.6111.5V5 P6 D7 F658 L664 V665 Q666V5-R662 HydrophobicContact CB-CB 4.28Å; V5-R662 HydrophobicContact CB-CG 4.14Å; V5-R662 HydrophobicContact CG1-CB 3.83Å; V5-R662 HydrophobicContact CG1-CG 4Å; P6-R662 WeakPolarHBondContact O-CD 3.2Å; D7-R662 IonicContact OD1-CZ 3.3Å; D7-R662 IonicContact OD1-NE 2.94Å; D7-R662 PolarHBondContact OD1-NE 3.22Å; D7-R662 IonicContact OD1-NH2 3.16Å; D7-R662 PolarHBondContact OD1-NH2 3.26Å; D7-R662 IonicContact OD2-NH2 3.77Å; F658-R662 WeakPolarHBondContact O-CB 3.23Å; F658-R662 PolarHBondContact O-N 2.88Å; R662-L664 VanDerWaalsContact C-N 3.32Å; R662-L664 PolarHBondContact O-N 2.83Å; R662-V665 PolarHBondContact O-N 3.11Å; R662-Q666 HydrophobicContact CG-CG 4.29Å; R662-Q666 VanDerWaalsContact NE-NE2 3.19Å; R662-Q666 WeakPolarHBondContact O-CB 3.26Å; R662-Q666 VanDerWaalsContact O-CG 3.31Å; R662-Q666 WeakPolarHBondContact O-CG 3.35Å; R662-Q666 PolarHBondContact O-N 3.16Å
663F94.4Very high93.3Very high21 Ų2132.9 Ų32.99%0.09216%0.156CC..Hα-helixtrans-61.3-41.5177.8-173.9-102.5000111.4N659 A660 Y661 N667 V733 R737 L740 K741N659-F663 WeakPolarHBondContact O-CB 3.44Å; N659-F663 PolarHBondContact O-N 3.38Å; A660-F663 PolarHBondContact O-N 3.11Å; Y661-F663 VanDerWaalsContact C-N 3.29Å; Y661-F663 PolarHBondContact O-N 3.25Å; F663-N667 WeakPolarHBondContact CD2-ND2 3.39Å; F663-N667 VanDerWaalsContact CE1-ND2 3.34Å; F663-N667 WeakPolarHBondContact CE1-ND2 3.44Å; F663-N667 VanDerWaalsContact CE2-ND2 3.25Å; F663-N667 WeakPolarHBondContact CE2-ND2 3.42Å; F663-N667 WeakPolarHBondContact CZ-ND2 3.41Å; F663-N667 PolarHBondContact O-N 2.85Å; F663-N667 PolarHBondContact O-ND2 3.26Å; F663-V733 HydrophobicContact CD1-CG1 3.87Å; F663-V733 HydrophobicContact CE1-CG1 4.21Å; F663-R737 HydrophobicContact CE1-CG 4.18Å; F663-R737 HydrophobicContact CE2-CG 4.07Å; F663-R737 HydrophobicContact CZ-CG 3.46Å; F663-R737 VanDerWaalsContact CZ-CG 3.46Å; F663-L740 HydrophobicContact CD1-CD1 4.31Å; F663-L740 HydrophobicContact CE1-CB 3.72Å; F663-L740 HydrophobicContact CE1-CD1 3.71Å; F663-L740 HydrophobicContact CE1-CG 4.31Å; F663-L740 HydrophobicContact CZ-CB 4.27Å; F663-K741 HydrophobicContact CZ-CG 4.26Å
664L95.2Very high92.8Very high0 Ų037.8 Ų37.80%017%0.174CC..Hα-helixtrans-57.8-56.1172.1172.966.1000110.8A660 Y661 R662 Q666 N667 V668 L753 L756 S757 L760 L782 L785A660-L664 PolarHBondContact O-N 3.1Å; Y661-L664 WeakPolarHBondContact O-CB 3.48Å; Y661-L664 PolarHBondContact O-N 2.69Å; Y661-L664 VanDerWaalsContact O-N 3.16Å; R662-L664 VanDerWaalsContact C-N 3.32Å; R662-L664 PolarHBondContact O-N 2.83Å; L664-Q666 VanDerWaalsContact C-N 3.31Å; L664-Q666 PolarHBondContact O-N 3.03Å; L664-N667 PolarHBondContact O-N 2.72Å; L664-N667 VanDerWaalsContact O-N 3.13Å; L664-V668 HydrophobicContact CD1-CG2 3.77Å; L664-V668 HydrophobicContact CG-CG2 4.2Å; L664-V668 WeakPolarHBondContact O-CG2 3.45Å; L664-V668 PolarHBondContact O-N 2.9Å; L664-L753 HydrophobicContact CD1-CD2 3.89Å; L664-L756 HydrophobicContact CB-CD2 3.9Å; L664-L756 HydrophobicContact CB-CG 4.29Å; L664-L756 HydrophobicContact CD1-CB 4.21Å; L664-L756 HydrophobicContact CD1-CD2 4.04Å; L664-L756 HydrophobicContact CD1-CG 4.1Å; L664-L756 HydrophobicContact CG-CD2 4.49Å; L664-S757 WeakPolarHBondContact CD2-OG 3.36Å; L664-L760 HydrophobicContact CB-CD1 4.15Å; L664-L760 HydrophobicContact CD2-CD1 3.68Å; L664-L782 HydrophobicContact CD2-CD2 3.84Å; L664-L785 HydrophobicContact CD2-CD1 4.4Å
665V94.4Very high92.3Very high0 Ų039.5 Ų39.50%019%0.185CC..Hα-helixtrans-56.5-45.3-176172.90000111.7L2 V5 Y661 R662 N667 V668 Q669L2-V665 HydrophobicContact CB-CG1 4.23Å; L2-V665 HydrophobicContact CD1-CB 4.37Å; L2-V665 HydrophobicContact CD1-CG1 4.11Å; L2-V665 HydrophobicContact CD1-CG2 4.19Å; V5-V665 HydrophobicContact CG2-CB 4.01Å; V5-V665 HydrophobicContact CG2-CG1 3.96Å; V5-V665 HydrophobicContact CG2-CG2 3.89Å; Y661-V665 HydrophobicContact CD2-CG2 3.96Å; Y661-V665 HydrophobicContact CE2-CG2 3.46Å; Y661-V665 VanDerWaalsContact CE2-CG2 3.46Å; Y661-V665 PolarHBondContact O-N 2.96Å; R662-V665 PolarHBondContact O-N 3.11Å; V665-N667 PolarHBondContact O-N 3.32Å; V665-V668 PolarHBondContact O-N 3.14Å; V665-Q669 HydrophobicContact CG1-CG 4.38Å; V665-Q669 WeakPolarHBondContact O-CB 3.27Å; V665-Q669 WeakPolarHBondContact O-CG 3.3Å; V665-Q669 PolarHBondContact O-N 3.45Å
666Q92.6Very high91.7Very high74 Ų7440 Ų4035%0.34621%0.205SC..Hα-helixtrans-60.8-43.5179.1-74.5179.2-22.700112.5R662 L664 H670R662-Q666 HydrophobicContact CG-CG 4.29Å; R662-Q666 VanDerWaalsContact NE-NE2 3.19Å; R662-Q666 WeakPolarHBondContact O-CB 3.26Å; R662-Q666 VanDerWaalsContact O-CG 3.31Å; R662-Q666 WeakPolarHBondContact O-CG 3.35Å; R662-Q666 PolarHBondContact O-N 3.16Å; L664-Q666 VanDerWaalsContact C-N 3.31Å; L664-Q666 PolarHBondContact O-N 3.03Å; Q666-H670 WeakPolarHBondContact O-CB 3.35Å; Q666-H670 PolarHBondContact O-N 3.41Å
667N93.6Very high91.2Very high15 Ų1545.4 Ų45.48%0.0823%0.225CC..Hα-helixtrans-76.9-30.7-178.9-70.4-72.5000112.4F663 L664 V665 H670 S671 L740 K741 L753F663-N667 WeakPolarHBondContact CD2-ND2 3.39Å; F663-N667 VanDerWaalsContact CE1-ND2 3.34Å; F663-N667 WeakPolarHBondContact CE1-ND2 3.44Å; F663-N667 VanDerWaalsContact CE2-ND2 3.25Å; F663-N667 WeakPolarHBondContact CE2-ND2 3.42Å; F663-N667 WeakPolarHBondContact CZ-ND2 3.41Å; F663-N667 PolarHBondContact O-N 2.85Å; F663-N667 PolarHBondContact O-ND2 3.26Å; L664-N667 PolarHBondContact O-N 2.72Å; L664-N667 VanDerWaalsContact O-N 3.13Å; V665-N667 PolarHBondContact O-N 3.32Å; N667-H670 PolarHBondContact O-N 3.3Å; N667-S671 WeakPolarHBondContact O-CB 3.26Å; N667-S671 PolarHBondContact O-N 2.97Å; N667-L740 VanDerWaalsContact CB-O 3.32Å; N667-L740 WeakPolarHBondContact CB-O 3.33Å; N667-L740 PolarHBondContact OD1-O 3Å; N667-K741 WeakPolarHBondContact OD1-CG 3.44Å; N667-L753 HydrophobicContact CB-CD2 3.75Å
668V92.3Very high90.6Very high0 Ų050.4 Ų50.40%026%0.257CS..Hα-helixtrans-61.2-54.2169.8170.30000110L2 L664 V665 H670 S671 E672 F679 L753 L785L2-V668 HydrophobicContact CD1-CB 3.97Å; L2-V668 HydrophobicContact CD1-CG1 3.69Å; L664-V668 HydrophobicContact CD1-CG2 3.77Å; L664-V668 HydrophobicContact CG-CG2 4.2Å; L664-V668 WeakPolarHBondContact O-CG2 3.45Å; L664-V668 PolarHBondContact O-N 2.9Å; V665-V668 PolarHBondContact O-N 3.14Å; V668-H670 PolarHBondContact O-N 2.86Å; V668-S671 WeakPolarHBondContact O-CA 3.19Å; V668-S671 WeakPolarHBondContact O-CB 3.45Å; V668-S671 PolarHBondContact O-N 3Å; V668-E672 HydrophobicContact CG1-CG 4.35Å; V668-E672 WeakPolarHBondContact O-CG 3.38Å; V668-E672 PolarHBondContact O-N 3.46Å; V668-F679 HydrophobicContact CB-CD1 4.35Å; V668-F679 HydrophobicContact CG1-CB 3.64Å; V668-F679 HydrophobicContact CG1-CD1 3.57Å; V668-F679 HydrophobicContact CG1-CE1 4.45Å; V668-F679 HydrophobicContact CG1-CG 3.75Å; V668-F679 HydrophobicContact CG2-CD1 3.81Å; V668-F679 HydrophobicContact CG2-CE1 3.86Å; V668-F679 HydrophobicContact CG2-CG 4.33Å; V668-F679 HydrophobicContact CG2-CZ 4.42Å; V668-L753 HydrophobicContact CG2-CD2 4.17Å; V668-L785 HydrophobicContact CG1-CD2 4.28Å
669Q91Very high90.2Very high46 Ų4650.8 Ų50.822%0.21526%0.259CS..Hα-helixtrans-58.1-37177.8-71.5178.1-30.500111.9L2 T4 V665 K673L2-Q669 PolarHBondContact O-NE2 3.43Å; T4-Q669 PolarHBondContact OG1-NE2 3.16Å; V665-Q669 HydrophobicContact CG1-CG 4.38Å; V665-Q669 WeakPolarHBondContact O-CB 3.27Å; V665-Q669 WeakPolarHBondContact O-CG 3.3Å; V665-Q669 PolarHBondContact O-N 3.45Å; Q669-K673 WeakPolarHBondContact O-CB 3.33Å; Q669-K673 PolarHBondContact O-N 2.84Å
670H87.7Confident89.7Confident80 Ų8048.4 Ų48.437%0.3725%0.248SC..Hα-helixtrans-65.4-43.1174.6-172.868000112.2Q666 N667 V668 K673 R674Q666-H670 WeakPolarHBondContact O-CB 3.35Å; Q666-H670 PolarHBondContact O-N 3.41Å; N667-H670 PolarHBondContact O-N 3.3Å; V668-H670 PolarHBondContact O-N 2.86Å; H670-K673 PolarHBondContact O-N 3.43Å; H670-R674 WeakPolarHBondContact O-CB 3.25Å; H670-R674 PolarHBondContact O-N 3.01Å
671S87.9Confident89Confident5 Ų548.7 Ų48.74%0.03525%0.251CS..Hα-helixtrans-62.9-45.7176.3-1690000111.5N667 V668 K673 R674 T675N667-S671 WeakPolarHBondContact O-CB 3.26Å; N667-S671 PolarHBondContact O-N 2.97Å; V668-S671 WeakPolarHBondContact O-CA 3.19Å; V668-S671 WeakPolarHBondContact O-CB 3.45Å; V668-S671 PolarHBondContact O-N 3Å; S671-K673 VanDerWaalsContact C-N 3.33Å; S671-K673 PolarHBondContact O-N 3.31Å; S671-R674 PolarHBondContact O-N 3.44Å; S671-T675 WeakPolarHBondContact O-CB 3.18Å; S671-T675 WeakPolarHBondContact O-CG2 3.21Å; S671-T675 PolarHBondContact O-N 2.84Å; S671-T675 PolarHBondContact O-OG1 2.93Å
672E89.5Confident88Confident30 Ų3054.5 Ų54.514%0.1428%0.276CS..Hα-helixtrans-59.6-43.8176-67.1-176135.300111.2V668 R674 G676 K677 P678 F679V668-E672 HydrophobicContact CG1-CG 4.35Å; V668-E672 WeakPolarHBondContact O-CG 3.38Å; V668-E672 PolarHBondContact O-N 3.46Å; E672-R674 VanDerWaalsContact C-N 3.34Å; E672-R674 PolarHBondContact O-N 2.97Å; E672-G676 VanDerWaalsContact O-CA 3.29Å; E672-G676 WeakPolarHBondContact O-CA 3.34Å; E672-G676 PolarHBondContact O-N 2.77Å; E672-K677 WeakPolarHBondContact CA-O 3.46Å; E672-K677 WeakPolarHBondContact CG-O 3.34Å; E672-P678 WeakPolarHBondContact OE1-CA 3.37Å; E672-F679 HydrophobicContact CG-CB 3.75Å; E672-F679 PolarHBondContact OE1-N 3.4Å
673K87.3Confident86.5Confident183 Ų18354.7 Ų54.780%0.79628%0.281SS*.Hα-helixtrans-65.1-37.2176.8-170.3177.3-178.3-179.80112.6Q669 H670 S671Q669-K673 WeakPolarHBondContact O-CB 3.33Å; Q669-K673 PolarHBondContact O-N 2.84Å; H670-K673 PolarHBondContact O-N 3.43Å; S671-K673 VanDerWaalsContact C-N 3.33Å; S671-K673 PolarHBondContact O-N 3.31Å
674R83.5Confident85Confident108 Ų10858.1 Ų58.141%0.40830%0.299SS..Hα-helixtrans-72.9-40-179.9-175.6176.368.3169.80.6112.2H670 S671 E672 G742H670-R674 WeakPolarHBondContact O-CB 3.25Å; H670-R674 PolarHBondContact O-N 3.01Å; S671-R674 PolarHBondContact O-N 3.44Å; E672-R674 VanDerWaalsContact C-N 3.34Å; E672-R674 PolarHBondContact O-N 2.97Å; R674-G742 PolarHBondContact NH1-O 2.91Å
675T84.4Confident84Confident40 Ų4065.9 Ų65.925%0.24533%0.328CS..Hα-helixtrans-94.5-19.2-173.461.70000113.3S671 K677 E746S671-T675 WeakPolarHBondContact O-CB 3.18Å; S671-T675 WeakPolarHBondContact O-CG2 3.21Å; S671-T675 PolarHBondContact O-N 2.84Å; S671-T675 PolarHBondContact O-OG1 2.93Å; T675-K677 PolarHBondContact O-N 2.84Å; T675-K677 PolarHBondContact OG1-N 3.33Å; T675-E746 HydrophobicContact CG2-CG 4.36Å; T675-E746 WeakPolarHBondContact CG2-OE1 3.24Å
676G84Confident83.5Confident69 Ų6966.2 Ų66.271%0.71133%0.331SS*.SBendtrans68.79.3-171.900000113.8E672E672-G676 VanDerWaalsContact O-CA 3.29Å; E672-G676 WeakPolarHBondContact O-CA 3.34Å; E672-G676 PolarHBondContact O-N 2.77Å
677K83.8Confident83.2Confident147 Ų14769.7 Ų69.764%0.63935%0.352SS*.SBendtrans-112.3140.1-178-66.5178.2-176.6173.40110.3E672 T675E672-K677 WeakPolarHBondContact CA-O 3.46Å; E672-K677 WeakPolarHBondContact CG-O 3.34Å; T675-K677 PolarHBondContact O-N 2.84Å; T675-K677 PolarHBondContact OG1-N 3.33Å
678P84.1Confident83.1Confident104 Ų10470.4 Ų70.468%0.67536%0.356SS*.  trans-64.1138.4171.727.7-32.6000109.8E672E672-P678 WeakPolarHBondContact OE1-CA 3.37Å
679F87.8Confident83.1Confident14 Ų1472 Ų726%0.06137%0.365CS..  trans-87.5129.4177.4177.4-91.9000109.5V668 E672 A681 L753 E754 L785V668-F679 HydrophobicContact CB-CD1 4.35Å; V668-F679 HydrophobicContact CG1-CB 3.64Å; V668-F679 HydrophobicContact CG1-CD1 3.57Å; V668-F679 HydrophobicContact CG1-CE1 4.45Å; V668-F679 HydrophobicContact CG1-CG 3.75Å; V668-F679 HydrophobicContact CG2-CD1 3.81Å; V668-F679 HydrophobicContact CG2-CE1 3.86Å; V668-F679 HydrophobicContact CG2-CG 4.33Å; V668-F679 HydrophobicContact CG2-CZ 4.42Å; E672-F679 HydrophobicContact CG-CB 3.75Å; E672-F679 PolarHBondContact OE1-N 3.4Å; F679-A681 HydrophobicContact CE1-CB 4.44Å; F679-L753 HydrophobicContact CE2-CB 3.7Å; F679-L753 HydrophobicContact CE2-CD1 4.27Å; F679-L753 HydrophobicContact CZ-CB 3.59Å; F679-E754 HydrophobicContact CE2-CG 3.84Å; F679-E754 HydrophobicContact CZ-CB 4.41Å; F679-E754 HydrophobicContact CZ-CG 3.62Å; F679-L785 HydrophobicContact CD1-CD2 3.92Å; F679-L785 HydrophobicContact CE1-CD2 4.46Å
680A83.5Confident83.3Confident18 Ų1869.8 Ų69.815%0.14936%0.355CS..  trans-128.8135.1173.100000108.1K682 H787A680-K682 HydrophobicContact CB-CG 4.23Å; A680-K682 PolarHBondContact O-N 2.87Å; A680-H787 HydrophobicContact CB-CB 3.98Å
681A82Confident83.6Confident11 Ų1166 Ų669%0.09134%0.338CS..  trans-80.198.8177.600000109.7F679 L785F679-A681 HydrophobicContact CE1-CB 4.44Å; A681-L785 PolarHBondContact N-O 2.7Å
682K74.6Confident83.9Confident132 Ų13270.4 Ų70.457%0.57435%0.353SS*.  trans-108-31.3-176.6-61.3-170.8177.3-141.40113.2A680 I684 E754 D788A680-K682 HydrophobicContact CB-CG 4.23Å; A680-K682 PolarHBondContact O-N 2.87Å; K682-I684 PolarHBondContact O-N 3.24Å; K682-E754 WeakPolarHBondContact CA-OE1 3.29Å; K682-E754 WeakPolarHBondContact CB-OE1 3.24Å; K682-E754 PolarHBondContact N-OE1 3.44Å; K682-D788 VanDerWaalsContact CE-OD2 3.29Å; K682-D788 WeakPolarHBondContact CE-OD2 3.33Å; K682-D788 IonicContact NZ-OD2 2.77Å; K682-D788 PolarHBondContact NZ-OD2 3.45Å
683L62.7Low84.2Confident51 Ų5169.3 Ų69.327%0.26735%0.348SS..  trans-79.3115-172.1-162.888.3000112.5R685 D751 E754 H758L683-R685 WeakPolarHBondContact CD2-O 3.47Å; L683-R685 VanDerWaalsContact CG-O 3.28Å; L683-R685 WeakPolarHBondContact CG-O 3.43Å; L683-D751 HydrophobicContact CD2-CB 4.06Å; L683-E754 HydrophobicContact CB-CB 4.03Å; L683-E754 HydrophobicContact CB-CG 4.42Å; L683-E754 WeakPolarHBondContact CB-OE2 3.32Å; L683-E754 PolarHBondContact N-OE1 3.41Å; L683-H758 PolarHBondContact O-CE1 3.38Å
684I63.9Low84.7Confident94 Ų9460.6 Ų60.648%0.48231%0.31SS..SBendtrans-84.2-23.7172.9-60.3174.2000111.1K682 L810K682-I684 PolarHBondContact O-N 3.24Å; I684-L810 HydrophobicContact CG2-CD1 3.71Å
685R72.7Confident85.2Confident162 Ų16256 Ų5661%0.61129%0.293SS*.  trans-139.1118.8-171.7-154175.1-168.3167.65.7111.8L683 L810L683-R685 WeakPolarHBondContact CD2-O 3.47Å; L683-R685 VanDerWaalsContact CG-O 3.28Å; L683-R685 WeakPolarHBondContact CG-O 3.43Å; R685-L810 HydrophobicContact CG-CD2 4.21Å
686S84.5Confident85.7Confident7 Ų754.1 Ų54.15%0.04928%0.282CS..  trans-104.6150.3173.6169.30000110.2N688 D691 R692S686-N688 VanDerWaalsContact C-N 3.32Å; S686-N688 PolarHBondContact OG-N 3.01Å; S686-N688 VanDerWaalsContact OG-N 3.15Å; S686-D691 WeakPolarHBondContact CB-OD2 3.42Å; S686-D691 WeakPolarHBondContact OG-CB 3.5Å; S686-D691 PolarHBondContact OG-OD2 3.32Å; S686-R692 WeakPolarHBondContact O-CG 3.4Å
687D86.3Confident86.3Confident148 Ų14853.6 Ų53.679%0.79126%0.259SS*.SBendtrans-80.1-17.3174.2-69.8-34.9000112.3V689D687-V689 PolarHBondContact O-N 2.95Å
688N91.5Very high86.8Confident29 Ų2946.7 Ų46.716%0.15523%0.229CC..SBendtrans-67135.4-179.8-173.7-78.1000111.2S686 M690 D691 R692 R739S686-N688 VanDerWaalsContact C-N 3.32Å; S686-N688 PolarHBondContact OG-N 3.01Å; S686-N688 VanDerWaalsContact OG-N 3.15Å; N688-M690 VanDerWaalsContact C-N 3.32Å; N688-M690 PolarHBondContact O-N 2.86Å; N688-M690 WeakPolarHBondContact OD1-CB 3.48Å; N688-M690 PolarHBondContact OD1-N 3.2Å; N688-D691 HydrophobicContact CB-CB 4.09Å; N688-D691 WeakPolarHBondContact CB-OD2 3.47Å; N688-D691 PolarHBondContact O-N 3.23Å; N688-D691 PolarHBondContact OD1-N 2.87Å; N688-R692 PolarHBondContact O-N 3.16Å; N688-R739 VanDerWaalsContact CB-NH2 3.34Å; N688-R739 VanDerWaalsContact ND2-CZ 3.29Å; N688-R739 PolarHBondContact ND2-NH1 3.31Å; N688-R739 PolarHBondContact OD1-NH1 2.88Å
689V93.2Very high87.4Confident33 Ų3343.1 Ų43.120%0.220%0.202CC..Hα-helixtrans-64.5-35.2-175.175.70000113.1D687 W693 V815 M863 Y866D687-V689 PolarHBondContact O-N 2.95Å; V689-W693 VanDerWaalsContact O-CB 3.24Å; V689-W693 WeakPolarHBondContact O-CB 3.4Å; V689-W693 PolarHBondContact O-N 2.88Å; V689-V815 HydrophobicContact CG2-CG1 4.28Å; V689-M863 HydrophobicContact CB-CE 4.17Å; V689-M863 HydrophobicContact CG1-CE 3.73Å; V689-M863 HydrophobicContact CG1-SD 4.09Å; V689-M863 HydrophobicContact CG2-CE 3.35Å; V689-Y866 HydrophobicContact CG1-CE2 3.75Å
690M94.7Very high87.7Confident0 Ų043.9 Ų43.90%021%0.209CC..Hα-helixtrans-74.6-33.3178.8-66.9-62-70.100111.8N688 W693 I694 Y732 M735 V819 M822 Y866N688-M690 VanDerWaalsContact C-N 3.32Å; N688-M690 PolarHBondContact O-N 2.86Å; N688-M690 WeakPolarHBondContact OD1-CB 3.48Å; N688-M690 PolarHBondContact OD1-N 3.2Å; M690-W693 HydrophobicContact CE-CE3 3.7Å; M690-W693 HydrophobicContact CE-CZ3 3.67Å; M690-W693 PolarHBondContact O-N 3.35Å; M690-W693 HydrophobicContact SD-CE3 4.29Å; M690-I694 WeakPolarHBondContact O-CG2 3.36Å; M690-I694 PolarHBondContact O-N 2.96Å; M690-Y732 HydrophobicContact CB-CD2 4.38Å; M690-Y732 HydrophobicContact CB-CE2 4.4Å; M690-M735 HydrophobicContact CE-CB 4.43Å; M690-M735 HydrophobicContact CE-SD 3.98Å; M690-V819 HydrophobicContact SD-CG2 4.27Å; M690-M822 HydrophobicContact CE-CE 4.44Å; M690-M822 HydrophobicContact SD-CE 4.36Å; M690-Y866 HydrophobicContact CG-CD1 4.45Å; M690-Y866 HydrophobicContact CG-CE1 3.7Å; M690-Y866 HydrophobicContact CG-CE2 4.02Å; M690-Y866 VanDerWaalsContact CG-CZ 3.44Å; M690-Y866 WeakPolarHBondContact CG-OH 3.32Å
691D94.5Very high88.4Confident2 Ų243.5 Ų43.51%0.01121%0.205CC..Hα-helixtrans-69.6-46.5176.8-62.2-4.1000110.2S686 N688 W693 I694 M695 Y732 R739 T755S686-D691 WeakPolarHBondContact CB-OD2 3.42Å; S686-D691 WeakPolarHBondContact OG-CB 3.5Å; S686-D691 PolarHBondContact OG-OD2 3.32Å; N688-D691 HydrophobicContact CB-CB 4.09Å; N688-D691 WeakPolarHBondContact CB-OD2 3.47Å; N688-D691 PolarHBondContact O-N 3.23Å; N688-D691 PolarHBondContact OD1-N 2.87Å; D691-W693 VanDerWaalsContact C-N 3.3Å; D691-W693 PolarHBondContact O-N 2.65Å; D691-I694 WeakPolarHBondContact O-CG2 3.31Å; D691-I694 PolarHBondContact O-N 3.46Å; D691-M695 WeakPolarHBondContact O-CB 3.28Å; D691-M695 PolarHBondContact O-N 3.47Å; D691-M695 VanDerWaalsContact O-N 3.07Å; D691-Y732 WeakPolarHBondContact OD1-CE2 3.49Å; D691-Y732 PolarHBondContact OD1-OH 3.09Å; D691-Y732 VanDerWaalsContact OD1-OH 3.08Å; D691-R739 IonicContact OD1-CZ 3.66Å; D691-R739 IonicContact OD1-NH1 3.26Å; D691-R739 PolarHBondContact OD1-NH1 3.21Å; D691-R739 IonicContact OD1-NH2 2.68Å; D691-R739 IonicContact OD2-CZ 3.42Å; D691-R739 IonicContact OD2-NH1 3.87Å; D691-R739 PolarHBondContact OD2-NH1 3.45Å; D691-R739 IonicContact OD2-NH2 3.79Å; D691-R739 PolarHBondContact OD2-NH2 2.96Å; D691-T755 HydrophobicContact CB-CG2 3.85Å
692R94.4Very high89Confident97 Ų9743 Ų4337%0.36620%0.2SC..Hα-helixtrans-57.5-44.2171.8-74.6177.552.8174.2-4111.9S686 N688 S696 D812S686-R692 WeakPolarHBondContact O-CG 3.4Å; N688-R692 PolarHBondContact O-N 3.16Å; R692-S696 WeakPolarHBondContact O-CB 3.16Å; R692-S696 PolarHBondContact O-N 3.37Å; R692-D812 IonicContact CZ-OD2 3.67Å; R692-D812 IonicContact NE-OD2 3.3Å; R692-D812 IonicContact NH2-OD2 3.54Å; R692-D812 PolarHBondContact NH2-OD2 3.39Å
693W95.9Very high90Very high6 Ų638.8 Ų38.82%0.02318%0.184CC..Hα-helixtrans-60.7-54.2179.4168.659.3000112.1V689 M690 D691 M695 S696 Y697 V727 W731 V815 V819V689-W693 VanDerWaalsContact O-CB 3.24Å; V689-W693 WeakPolarHBondContact O-CB 3.4Å; V689-W693 PolarHBondContact O-N 2.88Å; M690-W693 HydrophobicContact CE-CE3 3.7Å; M690-W693 HydrophobicContact CE-CZ3 3.67Å; M690-W693 PolarHBondContact O-N 3.35Å; M690-W693 HydrophobicContact SD-CE3 4.29Å; D691-W693 VanDerWaalsContact C-N 3.3Å; D691-W693 PolarHBondContact O-N 2.65Å; W693-M695 PolarHBondContact O-N 2.71Å; W693-S696 WeakPolarHBondContact O-CB 3.25Å; W693-S696 PolarHBondContact O-N 3.03Å; W693-Y697 WeakPolarHBondContact O-CB 3.47Å; W693-Y697 PolarHBondContact O-N 2.72Å; W693-V727 HydrophobicContact CH2-CG1 3.38Å; W693-V727 HydrophobicContact CZ2-CG1 3.57Å; W693-W731 HydrophobicContact CH2-CB 3.96Å; W693-W731 HydrophobicContact CZ3-CB 4.36Å; W693-V815 HydrophobicContact CB-CG1 3.46Å; W693-V815 VanDerWaalsContact CB-CG1 3.46Å; W693-V815 HydrophobicContact CG-CG1 4.3Å; W693-V819 HydrophobicContact CB-CG2 3.86Å; W693-V819 HydrophobicContact CD2-CB 3.97Å; W693-V819 HydrophobicContact CD2-CG1 3.59Å; W693-V819 HydrophobicContact CD2-CG2 3.95Å; W693-V819 HydrophobicContact CE3-CG1 4.07Å; W693-V819 HydrophobicContact CG-CB 3.84Å; W693-V819 HydrophobicContact CG-CG1 4.02Å; W693-V819 HydrophobicContact CG-CG2 3.53Å; W693-V819 HydrophobicContact CH2-CG1 4.04Å; W693-V819 HydrophobicContact CZ2-CG1 3.6Å; W693-V819 HydrophobicContact CZ3-CG1 4.26Å
694I95.9Very high91.6Very high0 Ų039.8 Ų39.80%019%0.187CC..Hα-helixtrans-65-35.3-175.7-166.561.4000110.4M690 D691 Y697 T698 Y724 L728 Y732 T755 V759M690-I694 WeakPolarHBondContact O-CG2 3.36Å; M690-I694 PolarHBondContact O-N 2.96Å; D691-I694 WeakPolarHBondContact O-CG2 3.31Å; D691-I694 PolarHBondContact O-N 3.46Å; I694-Y697 PolarHBondContact O-N 2.78Å; I694-T698 WeakPolarHBondContact O-CB 3.28Å; I694-T698 PolarHBondContact O-N 3.46Å; I694-T698 PolarHBondContact O-OG1 2.68Å; I694-Y724 HydrophobicContact CD1-CE2 4.36Å; I694-L728 HydrophobicContact CD1-CD1 4.2Å; I694-L728 HydrophobicContact CG1-CD1 4.16Å; I694-Y732 HydrophobicContact CB-CD2 3.64Å; I694-Y732 HydrophobicContact CB-CE2 4.03Å; I694-Y732 HydrophobicContact CB-CG 3.99Å; I694-Y732 HydrophobicContact CD1-CG 4.46Å; I694-Y732 HydrophobicContact CG1-CD1 4.35Å; I694-Y732 HydrophobicContact CG1-CD2 4.14Å; I694-Y732 HydrophobicContact CG1-CG 3.94Å; I694-Y732 HydrophobicContact CG2-CD1 4.43Å; I694-Y732 HydrophobicContact CG2-CD2 3.54Å; I694-Y732 HydrophobicContact CG2-CE1 4.28Å; I694-Y732 HydrophobicContact CG2-CE2 3.36Å; I694-Y732 HydrophobicContact CG2-CG 4.08Å; I694-T755 HydrophobicContact CG2-CG2 3.75Å; I694-V759 HydrophobicContact CG1-CG1 4.23Å; I694-V759 HydrophobicContact CG1-CG2 4.06Å; I694-V759 HydrophobicContact CG2-CG2 3.97Å
695M94.2Very high93.2Very high12 Ų1235.3 Ų35.36%0.05916%0.164CC..Hα-helixtrans-64.7-48.5175.9-165.95660.400111.3D691 W693 Y697 T698 Y699 T755 H758 V759 L762 L810D691-M695 WeakPolarHBondContact O-CB 3.28Å; D691-M695 PolarHBondContact O-N 3.47Å; D691-M695 VanDerWaalsContact O-N 3.07Å; W693-M695 PolarHBondContact O-N 2.71Å; M695-Y697 PolarHBondContact O-N 2.92Å; M695-T698 WeakPolarHBondContact O-CB 3.41Å; M695-T698 PolarHBondContact O-N 2.84Å; M695-Y699 HydrophobicContact CG-CD2 4.15Å; M695-Y699 HydrophobicContact CG-CE2 3.95Å; M695-Y699 WeakPolarHBondContact O-CD2 3.43Å; M695-Y699 PolarHBondContact O-N 3.21Å; M695-Y699 VanDerWaalsContact O-N 3.08Å; M695-Y699 HydrophobicContact SD-CD2 4.21Å; M695-Y699 HydrophobicContact SD-CE2 3.69Å; M695-T755 HydrophobicContact CE-CG2 4.08Å; M695-H758 HydrophobicContact CE-CB 3.8Å; M695-V759 HydrophobicContact CE-CG2 3.79Å; M695-L762 HydrophobicContact SD-CD1 4.05Å; M695-L810 HydrophobicContact CG-CB 4.47Å; M695-L810 HydrophobicContact CG-CD1 4.28Å
696S95.5Very high94.3Very high0 Ų029.2 Ų29.20%014%0.141CC..Hα-helixtrans-55-52.7173.8-179.90000111.3R692 W693 T698 Y699 S700 L810 D812 E816R692-S696 WeakPolarHBondContact O-CB 3.16Å; R692-S696 PolarHBondContact O-N 3.37Å; W693-S696 WeakPolarHBondContact O-CB 3.25Å; W693-S696 PolarHBondContact O-N 3.03Å; S696-T698 PolarHBondContact O-N 3.28Å; S696-Y699 PolarHBondContact O-N 3.35Å; S696-S700 PolarHBondContact O-N 3.11Å; S696-S700 PolarHBondContact O-OG 2.87Å; S696-L810 WeakPolarHBondContact CA-O 3.46Å; S696-L810 WeakPolarHBondContact CB-O 3.3Å; S696-D812 PolarHBondContact OG-N 3.08Å; S696-D812 PolarHBondContact OG-O 2.84Å; S696-E816 WeakPolarHBondContact CB-OE1 3.47Å; S696-E816 PolarHBondContact OG-OE1 3.29Å
697Y95.8Very high94.8Very high58 Ų5834.8 Ų34.823%0.22716%0.164CC..Hα-helixtrans-62.9-32.2-176.8-170.1-122.3000112.2W693 I694 M695 L701 Y724 V727 E816W693-Y697 WeakPolarHBondContact O-CB 3.47Å; W693-Y697 PolarHBondContact O-N 2.72Å; I694-Y697 PolarHBondContact O-N 2.78Å; M695-Y697 PolarHBondContact O-N 2.92Å; Y697-L701 WeakPolarHBondContact O-CB 3.37Å; Y697-L701 PolarHBondContact O-N 3.32Å; Y697-Y724 AromaticContact CD1-CD2 3.54Å; Y697-Y724 HydrophobicContact CD1-CD2 3.54Å; Y697-Y724 AromaticContact CD1-CE2 3.63Å; Y697-Y724 HydrophobicContact CD1-CE2 3.63Å; Y697-Y724 AromaticContact CE1-CD2 3.47Å; Y697-Y724 HydrophobicContact CE1-CD2 3.47Å; Y697-Y724 VanDerWaalsContact CE1-CD2 3.47Å; Y697-Y724 HydrophobicContact CE1-CE2 4.07Å; Y697-Y724 HydrophobicContact CE1-CG 4.44Å; Y697-Y724 HydrophobicContact CG-CE2 4.49Å; Y697-V727 HydrophobicContact CD1-CG1 4.02Å; Y697-V727 HydrophobicContact CE1-CB 4.01Å; Y697-V727 HydrophobicContact CE1-CG1 3.73Å; Y697-V727 HydrophobicContact CE1-CG2 4.17Å; Y697-E816 VanDerWaalsContact CA-OE1 3.3Å; Y697-E816 WeakPolarHBondContact CA-OE1 3.3Å; Y697-E816 PolarHBondContact N-OE1 3.22Å; Y697-E816 VanDerWaalsContact N-OE1 3.16Å
698T95.9Very high95.3Very high2 Ų229 Ų291%0.01213%0.132CC..Hα-helixtrans-65.1-45.9172.6-52.80000111.3I694 M695 S696 L701 V702 Y724 L762I694-T698 WeakPolarHBondContact O-CB 3.28Å; I694-T698 PolarHBondContact O-N 3.46Å; I694-T698 PolarHBondContact O-OG1 2.68Å; M695-T698 WeakPolarHBondContact O-CB 3.41Å; M695-T698 PolarHBondContact O-N 2.84Å; S696-T698 PolarHBondContact O-N 3.28Å; T698-L701 WeakPolarHBondContact O-CB 3.5Å; T698-L701 PolarHBondContact O-N 3.5Å; T698-V702 WeakPolarHBondContact O-CG2 3.42Å; T698-V702 PolarHBondContact O-N 3.12Å; T698-Y724 PolarHBondContact OG1-OH 3.39Å; T698-L762 HydrophobicContact CG2-CB 3.89Å; T698-L762 HydrophobicContact CG2-CD1 3.95Å
699Y95.5Very high95.5Very high29 Ų2928 Ų2811%0.11413%0.126CC..Hα-helixtrans-69.6-35.9177.4-79.8-65.5000113M695 S696 L701 V702 D703 L762 L805 N807 L810M695-Y699 HydrophobicContact CG-CD2 4.15Å; M695-Y699 HydrophobicContact CG-CE2 3.95Å; M695-Y699 WeakPolarHBondContact O-CD2 3.43Å; M695-Y699 PolarHBondContact O-N 3.21Å; M695-Y699 VanDerWaalsContact O-N 3.08Å; M695-Y699 HydrophobicContact SD-CD2 4.21Å; M695-Y699 HydrophobicContact SD-CE2 3.69Å; S696-Y699 PolarHBondContact O-N 3.35Å; Y699-L701 VanDerWaalsContact C-N 3.3Å; Y699-L701 PolarHBondContact O-N 3.18Å; Y699-V702 PolarHBondContact O-N 3.35Å; Y699-D703 PolarHBondContact O-N 3.33Å; Y699-L762 HydrophobicContact CE1-CD1 4.4Å; Y699-L762 HydrophobicContact CE2-CD1 4.25Å; Y699-L805 WeakPolarHBondContact CE1-O 3.38Å; Y699-N807 HydrophobicContact CD1-CB 4.32Å; Y699-N807 HydrophobicContact CE1-CB 3.85Å; Y699-N807 HydrophobicContact CE2-CB 4.18Å; Y699-L810 HydrophobicContact CD2-CB 3.92Å; Y699-L810 HydrophobicContact CD2-CD1 4.29Å; Y699-L810 HydrophobicContact CE2-CB 4.01Å; Y699-L810 HydrophobicContact CE2-CD1 3.51Å; Y699-L810 HydrophobicContact CE2-CG 4.41Å
700S95.7Very high95.5Very high30 Ų3032.4 Ų32.421%0.2114%0.143CC..Hα-helixtrans-60.1-40.6170.5-65.60000111.5S696 D703 F704 E816S696-S700 PolarHBondContact O-N 3.11Å; S696-S700 PolarHBondContact O-OG 2.87Å; S700-D703 PolarHBondContact O-N 3.42Å; S700-F704 WeakPolarHBondContact O-CB 3.43Å; S700-F704 PolarHBondContact O-N 3.35Å; S700-E816 WeakPolarHBondContact CB-OE1 3.38Å; S700-E816 PolarHBondContact OG-OE1 3.47Å
701L96.5Very high95.6Very high10 Ų1033.5 Ų33.55%0.05215%0.152CC..Hα-helixtrans-63.8-45.2171.9179.272.3000111.8Y697 T698 Y699 D703 F704 V705 A720 L721 Y724 L766Y697-L701 WeakPolarHBondContact O-CB 3.37Å; Y697-L701 PolarHBondContact O-N 3.32Å; T698-L701 WeakPolarHBondContact O-CB 3.5Å; T698-L701 PolarHBondContact O-N 3.5Å; Y699-L701 VanDerWaalsContact C-N 3.3Å; Y699-L701 PolarHBondContact O-N 3.18Å; L701-D703 VanDerWaalsContact C-N 3.32Å; L701-D703 PolarHBondContact O-N 3.11Å; L701-F704 PolarHBondContact O-N 2.91Å; L701-V705 HydrophobicContact CD1-CG2 4.06Å; L701-V705 HydrophobicContact CG-CG2 4.24Å; L701-V705 WeakPolarHBondContact O-CG2 3.37Å; L701-V705 PolarHBondContact O-N 3.18Å; L701-A720 HydrophobicContact CD1-CB 4.16Å; L701-L721 HydrophobicContact CD1-CD2 4.34Å; L701-L721 HydrophobicContact CD2-CD2 4.1Å; L701-L721 HydrophobicContact CG-CD2 4.44Å; L701-Y724 HydrophobicContact CB-CD2 4.35Å; L701-Y724 HydrophobicContact CD2-CD1 3.85Å; L701-Y724 HydrophobicContact CD2-CD2 3.62Å; L701-Y724 HydrophobicContact CD2-CE1 4.38Å; L701-Y724 HydrophobicContact CD2-CE2 4.16Å; L701-Y724 HydrophobicContact CD2-CG 3.45Å; L701-Y724 VanDerWaalsContact CD2-CG 3.45Å; L701-L766 HydrophobicContact CD2-CD2 3.83Å; L701-L766 HydrophobicContact CG-CD2 3.89Å
702V96Very high95.6Very high0 Ų034.3 Ų34.30%016%0.155CC..Hα-helixtrans-57.8-46.1177.4170.50000110.6T698 Y699 V705 R706 L766 P804 V806T698-V702 WeakPolarHBondContact O-CG2 3.42Å; T698-V702 PolarHBondContact O-N 3.12Å; Y699-V702 PolarHBondContact O-N 3.35Å; V702-V705 PolarHBondContact O-N 3.46Å; V702-R706 HydrophobicContact CG1-CG 4.4Å; V702-R706 WeakPolarHBondContact O-CB 3.43Å; V702-R706 VanDerWaalsContact O-CG 3.22Å; V702-R706 WeakPolarHBondContact O-CG 3.15Å; V702-R706 PolarHBondContact O-N 2.87Å; V702-L766 HydrophobicContact CG2-CD1 4.37Å; V702-L766 HydrophobicContact CG2-CD2 4.06Å; V702-P804 HydrophobicContact CG1-CB 4.27Å; V702-P804 HydrophobicContact CG1-CG 3.97Å; V702-P804 VanDerWaalsContact CG1-O 3.27Å; V702-P804 WeakPolarHBondContact CG1-O 3.34Å; V702-P804 HydrophobicContact CG2-CB 4.35Å; V702-P804 HydrophobicContact CG2-CG 3.79Å; V702-V806 HydrophobicContact CB-CG2 4.45Å; V702-V806 HydrophobicContact CG1-CG2 3.93Å
703D95.6Very high95.5Very high45 Ų4534.2 Ų34.224%0.24116%0.155CC..Hα-helixtrans-60.2-47.6176.9-175.453.7000111.8Y699 S700 L701 R706 K707 V806Y699-D703 PolarHBondContact O-N 3.33Å; S700-D703 PolarHBondContact O-N 3.42Å; L701-D703 VanDerWaalsContact C-N 3.32Å; L701-D703 PolarHBondContact O-N 3.11Å; D703-R706 PolarHBondContact O-N 2.79Å; D703-K707 WeakPolarHBondContact O-CB 3.3Å; D703-K707 WeakPolarHBondContact O-CG 3.27Å; D703-K707 PolarHBondContact O-N 3.4Å; D703-K707 VanDerWaalsContact OD1-CE 3.27Å; D703-K707 WeakPolarHBondContact OD1-CE 3.28Å; D703-K707 IonicContact OD1-NZ 2.62Å; D703-K707 VanDerWaalsContact OD2-CE 3.23Å; D703-K707 WeakPolarHBondContact OD2-CE 3.33Å; D703-K707 IonicContact OD2-NZ 3.62Å; D703-K707 PolarHBondContact OD2-NZ 2.7Å; D703-V806 HydrophobicContact CB-CG1 4.29Å; D703-V806 HydrophobicContact CB-CG2 3.64Å
704F96.6Very high95.3Very high72 Ų7234.1 Ų34.132%0.31615%0.154SC..Hα-helixtrans-58.8-51.1177.8175-99.7000112.2S700 L701 R706 K707 E708 A720S700-F704 WeakPolarHBondContact O-CB 3.43Å; S700-F704 PolarHBondContact O-N 3.35Å; L701-F704 PolarHBondContact O-N 2.91Å; F704-R706 VanDerWaalsContact C-N 3.34Å; F704-R706 PolarHBondContact O-N 3.24Å; F704-K707 PolarHBondContact O-N 2.9Å; F704-E708 HydrophobicContact CD1-CG 4.5Å; F704-E708 HydrophobicContact CD2-CG 4.07Å; F704-E708 HydrophobicContact CE1-CG 4.11Å; F704-E708 HydrophobicContact CE2-CG 3.65Å; F704-E708 HydrophobicContact CG-CG 4.48Å; F704-E708 HydrophobicContact CZ-CG 3.69Å; F704-E708 WeakPolarHBondContact O-CB 3.31Å; F704-E708 WeakPolarHBondContact O-CG 3.31Å; F704-E708 PolarHBondContact O-N 3.39Å; F704-A720 HydrophobicContact CD1-CB 3.89Å; F704-A720 HydrophobicContact CE1-CB 3.46Å; F704-A720 VanDerWaalsContact CE1-CB 3.46Å; F704-A720 HydrophobicContact CZ-CB 4.36Å
705V96.5Very high94.9Very high0 Ų036.2 Ų36.20%016%0.164CC..Hα-helixtrans-62.5-42.3-179172.60000110.8L701 V702 K707 E708 M709 V717 L721 L766L701-V705 HydrophobicContact CD1-CG2 4.06Å; L701-V705 HydrophobicContact CG-CG2 4.24Å; L701-V705 WeakPolarHBondContact O-CG2 3.37Å; L701-V705 PolarHBondContact O-N 3.18Å; V702-V705 PolarHBondContact O-N 3.46Å; V705-K707 PolarHBondContact O-N 3.11Å; V705-E708 PolarHBondContact O-N 2.79Å; V705-M709 HydrophobicContact CG1-CG 4.06Å; V705-M709 VanDerWaalsContact O-CB 3.24Å; V705-M709 WeakPolarHBondContact O-CB 3.48Å; V705-M709 VanDerWaalsContact O-CG 3.26Å; V705-M709 WeakPolarHBondContact O-CG 3.38Å; V705-M709 PolarHBondContact O-N 3.5Å; V705-V717 HydrophobicContact CG1-CG1 3.96Å; V705-V717 HydrophobicContact CG2-CG1 4.07Å; V705-L721 HydrophobicContact CG2-CD2 3.99Å; V705-L721 HydrophobicContact CG2-CG 4.37Å; V705-L766 HydrophobicContact CB-CD1 4Å; V705-L766 HydrophobicContact CB-CD2 4.38Å; V705-L766 HydrophobicContact CB-CG 4.49Å; V705-L766 HydrophobicContact CG1-CD1 3.78Å; V705-L766 HydrophobicContact CG1-CG 4.3Å; V705-L766 HydrophobicContact CG2-CD2 4.07Å
706R94.9Very high94.8Very high33 Ų3337.3 Ų37.313%0.12517%0.171CC..Hα-helixtrans-61.8-44.3177-72175.875.193.615.9111.8D75 V702 D703 F704 K710 P804D75-R706 IonicContact OD1-CZ 2.71Å; D75-R706 IonicContact OD1-NH1 3.52Å; D75-R706 IonicContact OD1-NH2 3.31Å; D75-R706 PolarHBondContact OD1-NH2 3.12Å; V702-R706 HydrophobicContact CG1-CG 4.4Å; V702-R706 WeakPolarHBondContact O-CB 3.43Å; V702-R706 VanDerWaalsContact O-CG 3.22Å; V702-R706 WeakPolarHBondContact O-CG 3.15Å; V702-R706 PolarHBondContact O-N 2.87Å; D703-R706 PolarHBondContact O-N 2.79Å; F704-R706 VanDerWaalsContact C-N 3.34Å; F704-R706 PolarHBondContact O-N 3.24Å; R706-K710 WeakPolarHBondContact O-CB 3.23Å; R706-K710 VanDerWaalsContact O-CG 3.29Å; R706-K710 WeakPolarHBondContact O-CG 3.38Å; R706-K710 PolarHBondContact O-N 3.35Å; R706-P804 PolarHBondContact NH1-O 3.01Å
707K96Very high94.7Very high124 Ų12437.3 Ų37.354%0.53917%0.171SC..Hα-helixtrans-63.1-48.3177.9-76171.4176.6168.80112D703 F704 V705 K710 A711D703-K707 WeakPolarHBondContact O-CB 3.3Å; D703-K707 WeakPolarHBondContact O-CG 3.27Å; D703-K707 PolarHBondContact O-N 3.4Å; D703-K707 VanDerWaalsContact OD1-CE 3.27Å; D703-K707 WeakPolarHBondContact OD1-CE 3.28Å; D703-K707 IonicContact OD1-NZ 2.62Å; D703-K707 VanDerWaalsContact OD2-CE 3.23Å; D703-K707 WeakPolarHBondContact OD2-CE 3.33Å; D703-K707 IonicContact OD2-NZ 3.62Å; D703-K707 PolarHBondContact OD2-NZ 2.7Å; F704-K707 PolarHBondContact O-N 2.9Å; V705-K707 PolarHBondContact O-N 3.11Å; K707-K710 PolarHBondContact O-N 3.33Å; K707-A711 PolarHBondContact O-N 3.41Å; K707-A711 VanDerWaalsContact O-N 3.15Å
708E96.1Very high94.5Very high27 Ų2734.6 Ų34.613%0.12616%0.16CC..Hα-helixtrans-72-36.4-176.2-68.7-65.5117.300112.6F704 V705 A711 Y712 R713 T716 V717F704-E708 HydrophobicContact CD1-CG 4.5Å; F704-E708 HydrophobicContact CD2-CG 4.07Å; F704-E708 HydrophobicContact CE1-CG 4.11Å; F704-E708 HydrophobicContact CE2-CG 3.65Å; F704-E708 HydrophobicContact CG-CG 4.48Å; F704-E708 HydrophobicContact CZ-CG 3.69Å; F704-E708 WeakPolarHBondContact O-CB 3.31Å; F704-E708 WeakPolarHBondContact O-CG 3.31Å; F704-E708 PolarHBondContact O-N 3.39Å; V705-E708 PolarHBondContact O-N 2.79Å; E708-A711 CarbonylContact O-C 3.56Å; E708-A711 WeakPolarHBondContact O-CA 3.11Å; E708-A711 PolarHBondContact O-N 2.75Å; E708-Y712 PolarHBondContact O-N 3.32Å; E708-Y712 VanDerWaalsContact O-N 3.09Å; E708-R713 HydrophobicContact CB-CB 4.47Å; E708-R713 PolarHBondContact O-N 3.28Å; E708-R713 IonicContact OE1-NH1 2.86Å; E708-R713 PolarHBondContact OE1-NH1 2.92Å; E708-R713 WeakPolarHBondContact OE2-CB 3.32Å; E708-R713 WeakPolarHBondContact OE2-CD 3.47Å; E708-T716 WeakPolarHBondContact CG-OG1 3.49Å; E708-T716 WeakPolarHBondContact OE2-CB 3.2Å; E708-T716 WeakPolarHBondContact OE2-CG2 3.47Å; E708-T716 PolarHBondContact OE2-OG1 3.4Å; E708-V717 HydrophobicContact CB-CG2 3.58Å
709M95.8Very high94.3Very high7 Ų736.7 Ų36.73%0.03417%0.174CC..Hα-helixtrans-69.1-37.7174.3-73-59.2-6400112.4I67 V68 F71 V705 A711 Y712 L714 V717 F770I67-M709 HydrophobicContact CG2-CE 3.83Å; V68-M709 HydrophobicContact CG2-CE 4.35Å; F71-M709 HydrophobicContact CB-CE 4.02Å; F71-M709 HydrophobicContact CD1-CB 4.01Å; F71-M709 HydrophobicContact CD1-CE 4.46Å; F71-M709 HydrophobicContact CD2-CB 3.86Å; F71-M709 HydrophobicContact CD2-CE 4.18Å; F71-M709 HydrophobicContact CD2-CG 3.83Å; F71-M709 HydrophobicContact CE1-CB 3.65Å; F71-M709 HydrophobicContact CE2-CB 3.47Å; F71-M709 VanDerWaalsContact CE2-CB 3.47Å; F71-M709 HydrophobicContact CE2-CG 3.7Å; F71-M709 HydrophobicContact CG-CB 4.13Å; F71-M709 HydrophobicContact CG-CE 3.96Å; F71-M709 HydrophobicContact CG-CG 4.37Å; F71-M709 HydrophobicContact CZ-CB 3.38Å; F71-M709 HydrophobicContact CZ-CG 4.16Å; V705-M709 HydrophobicContact CG1-CG 4.06Å; V705-M709 VanDerWaalsContact O-CB 3.24Å; V705-M709 WeakPolarHBondContact O-CB 3.48Å; V705-M709 VanDerWaalsContact O-CG 3.26Å; V705-M709 WeakPolarHBondContact O-CG 3.38Å; V705-M709 PolarHBondContact O-N 3.5Å; M709-A711 PolarHBondContact O-N 3.41Å; M709-Y712 PolarHBondContact O-N 3.27Å; M709-L714 HydrophobicContact CE-CD1 3.95Å; M709-L714 HydrophobicContact CE-CG 4.23Å; M709-L714 HydrophobicContact SD-CD1 3.85Å; M709-L714 HydrophobicContact SD-CG 3.92Å; M709-V717 HydrophobicContact CG-CG2 4.05Å; M709-V717 HydrophobicContact SD-CG2 4.01Å; M709-F770 HydrophobicContact CE-CZ 4.43Å; M709-F770 HydrophobicContact CG-CZ 4.4Å; M709-F770 HydrophobicContact SD-CE1 4.29Å; M709-F770 HydrophobicContact SD-CZ 3.93Å
710K94.3Very high94.3Very high127 Ų12736.1 Ų36.155%0.55218%0.175SC*.Hα-helixtrans-61.3-28.4169.8-78.4-176.9178.2-1680112.6D75 R706 K707D75-K710 WeakPolarHBondContact OD2-CE 3.28Å; D75-K710 IonicContact OD2-NZ 3.35Å; R706-K710 WeakPolarHBondContact O-CB 3.23Å; R706-K710 VanDerWaalsContact O-CG 3.29Å; R706-K710 WeakPolarHBondContact O-CG 3.38Å; R706-K710 PolarHBondContact O-N 3.35Å; K707-K710 PolarHBondContact O-N 3.33Å
711A95.3Very high94.2Very high22 Ų2234.7 Ų34.718%0.18217%0.166CC..THydrogen-bonded Turntrans-907172.700000113.7Y435 K707 E708 M709 R713Y435-A711 WeakPolarHBondContact CE1-O 3.29Å; K707-A711 PolarHBondContact O-N 3.41Å; K707-A711 VanDerWaalsContact O-N 3.15Å; E708-A711 CarbonylContact O-C 3.56Å; E708-A711 WeakPolarHBondContact O-CA 3.11Å; E708-A711 PolarHBondContact O-N 2.75Å; M709-A711 PolarHBondContact O-N 3.41Å; A711-R713 HydrophobicContact CB-CG 4.08Å; A711-R713 WeakPolarHBondContact O-CG 3.47Å; A711-R713 PolarHBondContact O-N 3.13Å; A711-R713 VanDerWaalsContact O-N 3.16Å
712Y95.2Very high94Very high19 Ų1935.9 Ų35.98%0.07517%0.173CC..THydrogen-bonded Turntrans58.921.4-179.1-59.4-95.7000114.9Y41 V68 Y435 F557 N587 I589 E708 M709 L714Y41-Y712 VanDerWaalsContact OH-CE1 3.28Å; Y41-Y712 WeakPolarHBondContact OH-CE1 3.5Å; Y41-Y712 PolarHBondContact OH-OH 3.44Å; V68-Y712 HydrophobicContact CG1-CD1 4.33Å; V68-Y712 HydrophobicContact CG1-CE1 4.02Å; Y435-Y712 HydrophobicContact CD1-CD2 4.38Å; Y435-Y712 HydrophobicContact CE1-CD2 4.44Å; F557-Y712 HydrophobicContact CB-CE1 4.05Å; F557-Y712 AromaticContact CD2-CD1 3.76Å; F557-Y712 HydrophobicContact CD2-CD1 3.76Å; F557-Y712 AromaticContact CD2-CE1 3.5Å; F557-Y712 HydrophobicContact CD2-CE1 3.5Å; F557-Y712 HydrophobicContact CE2-CD1 4.06Å; F557-Y712 HydrophobicContact CE2-CE1 4.22Å; F557-Y712 AromaticContact CG-CE1 3.96Å; F557-Y712 HydrophobicContact CG-CE1 3.96Å; N587-Y712 HydrophobicContact CB-CD1 4.28Å; N587-Y712 HydrophobicContact CB-CD2 3.95Å; N587-Y712 HydrophobicContact CB-CE1 3.85Å; N587-Y712 HydrophobicContact CB-CE2 3.51Å; N587-Y712 HydrophobicContact CB-CG 4.31Å; N587-Y712 VanDerWaalsContact CB-CZ 3.44Å; N587-Y712 VanDerWaalsContact CG-CZ 3.46Å; N587-Y712 PolarHBondContact ND2-OH 2.67Å; N587-Y712 WeakPolarHBondContact OD1-CE2 3.47Å; I589-Y712 HydrophobicContact CD1-CD1 4.12Å; I589-Y712 HydrophobicContact CG1-CD1 4.38Å; E708-Y712 PolarHBondContact O-N 3.32Å; E708-Y712 VanDerWaalsContact O-N 3.09Å; M709-Y712 PolarHBondContact O-N 3.27Å; Y712-L714 PolarHBondContact O-N 3.18Å
713R92.5Very high93.9Very high96 Ų9643.2 Ų43.236%0.36220%0.201SC..  trans-91.662.1-176.4-62.4175.4-165.9164.82.2112.1E708 A711 F715 T716E708-R713 HydrophobicContact CB-CB 4.47Å; E708-R713 PolarHBondContact O-N 3.28Å; E708-R713 IonicContact OE1-NH1 2.86Å; E708-R713 PolarHBondContact OE1-NH1 2.92Å; E708-R713 WeakPolarHBondContact OE2-CB 3.32Å; E708-R713 WeakPolarHBondContact OE2-CD 3.47Å; A711-R713 HydrophobicContact CB-CG 4.08Å; A711-R713 WeakPolarHBondContact O-CG 3.47Å; A711-R713 PolarHBondContact O-N 3.13Å; A711-R713 VanDerWaalsContact O-N 3.16Å; R713-F715 HydrophobicContact CB-CD1 4.41Å; R713-F715 HydrophobicContact CB-CE1 3.9Å; R713-F715 HydrophobicContact CB-CZ 4.04Å; R713-F715 HydrophobicContact CG-CE1 4Å; R713-F715 HydrophobicContact CG-CZ 4.02Å; R713-F715 PolarHBondContact O-N 3.26Å; R713-T716 HydrophobicContact CB-CG2 4.38Å; R713-T716 PolarHBondContact O-N 3.14Å; R713-T716 VanDerWaalsContact O-N 3.1Å; R713-T716 PolarHBondContact O-OG1 3.43Å
714L91Very high94Very high3 Ų341 Ų412%0.01619%0.189CC..Hα-helixtrans-55.2-29.3-179.3-81.267.2000113.1I64 I67 V68 I589 M709 Y712 T716 V717 V718I64-L714 HydrophobicContact CG1-CD2 4.4Å; I64-L714 HydrophobicContact CG2-CD2 4.17Å; I67-L714 HydrophobicContact CB-CD2 4.48Å; I67-L714 HydrophobicContact CG2-CD2 4.11Å; V68-L714 HydrophobicContact CG2-CD1 4.04Å; V68-L714 HydrophobicContact CG2-CD2 4.41Å; I589-L714 HydrophobicContact CD1-CD1 3.62Å; M709-L714 HydrophobicContact CE-CD1 3.95Å; M709-L714 HydrophobicContact CE-CG 4.23Å; M709-L714 HydrophobicContact SD-CD1 3.85Å; M709-L714 HydrophobicContact SD-CG 3.92Å; Y712-L714 PolarHBondContact O-N 3.18Å; L714-T716 PolarHBondContact O-N 3.13Å; L714-V717 PolarHBondContact O-N 3.04Å; L714-V718 PolarHBondContact O-N 2.73Å
715F88.4Confident93.9Very high45 Ų4537.7 Ų37.720%0.19718%0.175CC..Hα-helixtrans-69.7-10.3-178.366.3-100.8000115.6V437 V634 R635 R713V437-F715 HydrophobicContact CG1-CD1 4.17Å; V437-F715 HydrophobicContact CG1-CE1 3.66Å; V634-F715 HydrophobicContact CB-CB 4.29Å; V634-F715 HydrophobicContact CG2-CB 3.5Å; V634-F715 VanDerWaalsContact CG2-CB 3.5Å; R635-F715 HydrophobicContact CG-CB 3.52Å; R635-F715 HydrophobicContact CG-CD1 3.93Å; R635-F715 HydrophobicContact CG-CD2 4.01Å; R635-F715 HydrophobicContact CG-CG 3.55Å; R635-F715 PolarHBondContact NH2-O 2.85Å; R713-F715 HydrophobicContact CB-CD1 4.41Å; R713-F715 HydrophobicContact CB-CE1 3.9Å; R713-F715 HydrophobicContact CB-CZ 4.04Å; R713-F715 HydrophobicContact CG-CE1 4Å; R713-F715 HydrophobicContact CG-CZ 4.02Å; R713-F715 PolarHBondContact O-N 3.26Å
716T92.1Very high93.8Very high35 Ų3541.5 Ų41.522%0.21520%0.195CC..Hα-helixtrans-100.4-29.8173.260.40000111.5E708 R713 L714E708-T716 WeakPolarHBondContact CG-OG1 3.49Å; E708-T716 WeakPolarHBondContact OE2-CB 3.2Å; E708-T716 WeakPolarHBondContact OE2-CG2 3.47Å; E708-T716 PolarHBondContact OE2-OG1 3.4Å; R713-T716 HydrophobicContact CB-CG2 4.38Å; R713-T716 PolarHBondContact O-N 3.14Å; R713-T716 VanDerWaalsContact O-N 3.1Å; R713-T716 PolarHBondContact O-OG1 3.43Å; L714-T716 PolarHBondContact O-N 3.13Å
717V93.8Very high93.8Very high0 Ų040.6 Ų40.60%019%0.193CC..Hα-helixtrans-67.8-52.2-175.4172.30000112V705 E708 M709 L714 A720 L721 F770V705-V717 HydrophobicContact CG1-CG1 3.96Å; V705-V717 HydrophobicContact CG2-CG1 4.07Å; E708-V717 HydrophobicContact CB-CG2 3.58Å; M709-V717 HydrophobicContact CG-CG2 4.05Å; M709-V717 HydrophobicContact SD-CG2 4.01Å; L714-V717 PolarHBondContact O-N 3.04Å; V717-A720 WeakPolarHBondContact O-CB 3.27Å; V717-A720 PolarHBondContact O-N 3.46Å; V717-A720 VanDerWaalsContact O-N 3.07Å; V717-L721 HydrophobicContact CG1-CD1 3.59Å; V717-L721 HydrophobicContact CG1-CG 4.17Å; V717-L721 WeakPolarHBondContact O-CG 3.26Å; V717-L721 PolarHBondContact O-N 3.45Å; V717-F770 HydrophobicContact CG1-CE1 3.89Å; V717-F770 HydrophobicContact CG1-CE2 4.28Å; V717-F770 HydrophobicContact CG1-CZ 3.52Å
718V90.7Very high93.8Very high0 Ų034.7 Ų34.70%017%0.167CC..Hα-helixtrans-63.3-44.4-171.9-176.50000112.7L626 I629 N630 L714 A720 L721 V722 F770L626-V718 HydrophobicContact CD1-CG1 3.55Å; L626-V718 HydrophobicContact CG-CG1 4.33Å; I629-V718 HydrophobicContact CB-CG2 4.28Å; I629-V718 HydrophobicContact CD1-CG2 3.61Å; I629-V718 HydrophobicContact CG1-CG1 4.29Å; I629-V718 HydrophobicContact CG1-CG2 3.71Å; N630-V718 HydrophobicContact CB-CB 4.44Å; N630-V718 HydrophobicContact CB-CG1 3.56Å; L714-V718 PolarHBondContact O-N 2.73Å; V718-A720 VanDerWaalsContact C-N 3.25Å; V718-A720 PolarHBondContact O-N 3.32Å; V718-L721 PolarHBondContact O-N 3.41Å; V718-V722 HydrophobicContact CG1-CG2 4.3Å; V718-V722 WeakPolarHBondContact O-CG2 3.26Å; V718-V722 PolarHBondContact O-N 3.28Å; V718-F770 HydrophobicContact CG2-CD1 4.4Å; V718-F770 HydrophobicContact CG2-CE1 4.48Å
719P92.1Very high93.8Very high46 Ų4634.2 Ų34.230%0.29917%0.166SC..Hα-helixtrans-59.6-33.5173.6-25.735.3000113.8R723P719-R723 VanDerWaalsContact O-CB 3.28Å; P719-R723 WeakPolarHBondContact O-CB 3.47Å; P719-R723 PolarHBondContact O-N 3.26Å; P719-R723 VanDerWaalsContact O-N 3.09Å
720A94.9Very high93.7Very high17 Ų1737.6 Ų37.614%0.1418%0.184CC..Hα-helixtrans-70.3-43.6176.900000111.6L701 F704 V717 V718 R723 Y724L701-A720 HydrophobicContact CD1-CB 4.16Å; F704-A720 HydrophobicContact CD1-CB 3.89Å; F704-A720 HydrophobicContact CE1-CB 3.46Å; F704-A720 VanDerWaalsContact CE1-CB 3.46Å; F704-A720 HydrophobicContact CZ-CB 4.36Å; V717-A720 WeakPolarHBondContact O-CB 3.27Å; V717-A720 PolarHBondContact O-N 3.46Å; V717-A720 VanDerWaalsContact O-N 3.07Å; V718-A720 VanDerWaalsContact C-N 3.25Å; V718-A720 PolarHBondContact O-N 3.32Å; A720-R723 PolarHBondContact O-N 2.88Å; A720-Y724 WeakPolarHBondContact O-CB 3.48Å; A720-Y724 PolarHBondContact O-N 3.47Å
721L94.5Very high93.7Very high1 Ų132.1 Ų32.11%0.00516%0.16CC..Hα-helixtrans-61.1-47.5176-68.2169.8000111.9L701 V705 V717 V718 R723 Y724 I725 L766 M767 F770L701-L721 HydrophobicContact CD1-CD2 4.34Å; L701-L721 HydrophobicContact CD2-CD2 4.1Å; L701-L721 HydrophobicContact CG-CD2 4.44Å; V705-L721 HydrophobicContact CG2-CD2 3.99Å; V705-L721 HydrophobicContact CG2-CG 4.37Å; V717-L721 HydrophobicContact CG1-CD1 3.59Å; V717-L721 HydrophobicContact CG1-CG 4.17Å; V717-L721 WeakPolarHBondContact O-CG 3.26Å; V717-L721 PolarHBondContact O-N 3.45Å; V718-L721 PolarHBondContact O-N 3.41Å; L721-R723 PolarHBondContact O-N 3.24Å; L721-Y724 WeakPolarHBondContact O-CB 3.12Å; L721-Y724 PolarHBondContact O-N 3.48Å; L721-I725 PolarHBondContact O-N 2.93Å; L721-I725 VanDerWaalsContact O-N 3.09Å; L721-L766 HydrophobicContact CD2-CD2 3.97Å; L721-L766 HydrophobicContact CD2-CG 4.37Å; L721-M767 HydrophobicContact CB-SD 3.87Å; L721-M767 HydrophobicContact CD1-SD 3.7Å; L721-M767 HydrophobicContact CD2-SD 3.76Å; L721-M767 HydrophobicContact CG-SD 3.97Å; L721-F770 HydrophobicContact CD1-CD1 4.48Å; L721-F770 HydrophobicContact CD1-CD2 3.89Å; L721-F770 HydrophobicContact CD1-CE1 4.46Å; L721-F770 HydrophobicContact CD1-CE2 3.87Å; L721-F770 HydrophobicContact CD1-CG 4.22Å; L721-F770 HydrophobicContact CD1-CZ 4.18Å
722V92.4Very high93.8Very high35 Ų3531.1 Ų31.121%0.21215%0.152CC..Hα-helixtrans-61-44.5177.7170.40000111.1V653 V718 Y724 I725 N726V653-V722 HydrophobicContact CG2-CG1 3.72Å; V653-V722 HydrophobicContact CG2-CG2 4.3Å; V718-V722 HydrophobicContact CG1-CG2 4.3Å; V718-V722 WeakPolarHBondContact O-CG2 3.26Å; V718-V722 PolarHBondContact O-N 3.28Å; V722-Y724 VanDerWaalsContact C-N 3.32Å; V722-Y724 PolarHBondContact O-N 3.34Å; V722-I725 PolarHBondContact O-N 3.16Å; V722-N726 PolarHBondContact O-N 2.94Å
723R94Very high93.8Very high153 Ų15330.7 Ų30.758%0.57715%0.151SC*.Hα-helixtrans-61.2-41.9175.7-171.2-165.7-39.3-110.7-3111.5P719 A720 L721 I725 N726 V727P719-R723 VanDerWaalsContact O-CB 3.28Å; P719-R723 WeakPolarHBondContact O-CB 3.47Å; P719-R723 PolarHBondContact O-N 3.26Å; P719-R723 VanDerWaalsContact O-N 3.09Å; A720-R723 PolarHBondContact O-N 2.88Å; L721-R723 PolarHBondContact O-N 3.24Å; R723-I725 PolarHBondContact O-N 3.4Å; R723-N726 WeakPolarHBondContact O-CB 3.3Å; R723-N726 PolarHBondContact O-N 2.74Å; R723-V727 WeakPolarHBondContact O-CG2 3.35Å; R723-V727 PolarHBondContact O-N 3.4Å
724Y96.4Very high93.8Very high0 Ų030.7 Ų30.70%015%0.151CC..Hα-helixtrans-61.6-42.4179.1177.2-87.7000112.1I694 Y697 T698 L701 A720 L721 V722 N726 V727 L728 V759 L763I694-Y724 HydrophobicContact CD1-CE2 4.36Å; Y697-Y724 AromaticContact CD1-CD2 3.54Å; Y697-Y724 HydrophobicContact CD1-CD2 3.54Å; Y697-Y724 AromaticContact CD1-CE2 3.63Å; Y697-Y724 HydrophobicContact CD1-CE2 3.63Å; Y697-Y724 AromaticContact CE1-CD2 3.47Å; Y697-Y724 HydrophobicContact CE1-CD2 3.47Å; Y697-Y724 VanDerWaalsContact CE1-CD2 3.47Å; Y697-Y724 HydrophobicContact CE1-CE2 4.07Å; Y697-Y724 HydrophobicContact CE1-CG 4.44Å; Y697-Y724 HydrophobicContact CG-CE2 4.49Å; T698-Y724 PolarHBondContact OG1-OH 3.39Å; L701-Y724 HydrophobicContact CB-CD2 4.35Å; L701-Y724 HydrophobicContact CD2-CD1 3.85Å; L701-Y724 HydrophobicContact CD2-CD2 3.62Å; L701-Y724 HydrophobicContact CD2-CE1 4.38Å; L701-Y724 HydrophobicContact CD2-CE2 4.16Å; L701-Y724 HydrophobicContact CD2-CG 3.45Å; L701-Y724 VanDerWaalsContact CD2-CG 3.45Å; A720-Y724 WeakPolarHBondContact O-CB 3.48Å; A720-Y724 PolarHBondContact O-N 3.47Å; L721-Y724 WeakPolarHBondContact O-CB 3.12Å; L721-Y724 PolarHBondContact O-N 3.48Å; V722-Y724 VanDerWaalsContact C-N 3.32Å; V722-Y724 PolarHBondContact O-N 3.34Å; Y724-N726 VanDerWaalsContact C-N 3.28Å; Y724-N726 PolarHBondContact O-N 2.93Å; Y724-V727 CarbonylContact O-C 3.56Å; Y724-V727 WeakPolarHBondContact O-CA 3.34Å; Y724-V727 WeakPolarHBondContact O-CB 3.38Å; Y724-V727 PolarHBondContact O-N 2.95Å; Y724-L728 HydrophobicContact CE1-CB 4.3Å; Y724-L728 HydrophobicContact CE1-CD2 4.32Å; Y724-L728 WeakPolarHBondContact O-CB 3.45Å; Y724-L728 PolarHBondContact O-N 3.37Å; Y724-V759 WeakPolarHBondContact OH-CG1 3.41Å; Y724-L763 HydrophobicContact CD1-CD1 3.81Å; Y724-L763 HydrophobicContact CD1-CD2 4.22Å; Y724-L763 HydrophobicContact CE1-CD1 3.84Å; Y724-L763 HydrophobicContact CE1-CD2 3.93Å; Y724-L763 HydrophobicContact CE1-CG 4.34Å
725I95.7Very high93.8Very high2 Ų231.7 Ų31.71%0.0116%0.156CC..Hα-helixtrans-60.1-40.6175.8-68.7168.3000111V653 W657 L721 V722 R723 T729 L763 M767V653-I725 HydrophobicContact CG1-CB 4.46Å; V653-I725 HydrophobicContact CG1-CD1 3.54Å; V653-I725 HydrophobicContact CG1-CG2 4.26Å; W657-I725 HydrophobicContact CB-CG2 3.86Å; W657-I725 HydrophobicContact CD2-CD1 4.32Å; W657-I725 HydrophobicContact CE3-CD1 4.12Å; W657-I725 HydrophobicContact CG-CG2 4.49Å; L721-I725 PolarHBondContact O-N 2.93Å; L721-I725 VanDerWaalsContact O-N 3.09Å; V722-I725 PolarHBondContact O-N 3.16Å; R723-I725 PolarHBondContact O-N 3.4Å; I725-T729 HydrophobicContact CG2-CG2 4.47Å; I725-T729 WeakPolarHBondContact O-CB 3.47Å; I725-T729 VanDerWaalsContact O-CG2 3.27Å; I725-T729 WeakPolarHBondContact O-CG2 3.46Å; I725-T729 PolarHBondContact O-N 2.98Å; I725-T729 PolarHBondContact O-OG1 2.88Å; I725-L763 HydrophobicContact CG1-CD2 4.23Å; I725-M767 HydrophobicContact CD1-CE 4.29Å
726N94.4Very high94.1Very high79 Ų7929.6 Ų29.642%0.42215%0.147SC..Hα-helixtrans-61.8-45.7172.7-174-38.5000111V722 R723 Y724 L728 T729 N730V722-N726 PolarHBondContact O-N 2.94Å; R723-N726 WeakPolarHBondContact O-CB 3.3Å; R723-N726 PolarHBondContact O-N 2.74Å; Y724-N726 VanDerWaalsContact C-N 3.28Å; Y724-N726 PolarHBondContact O-N 2.93Å; N726-L728 PolarHBondContact O-N 3.33Å; N726-T729 PolarHBondContact O-N 3.05Å; N726-T729 PolarHBondContact O-OG1 3.17Å; N726-N730 VanDerWaalsContact O-CB 3.3Å; N726-N730 WeakPolarHBondContact O-CB 3.28Å; N726-N730 PolarHBondContact O-N 3.07Å; N726-N730 PolarHBondContact OD1-ND2 2.76Å
727V95Very high94.1Very high14 Ų1434.3 Ų34.39%0.08516%0.161CC..Hα-helixtrans-59.8-48.1177.5174.20000112W693 Y697 R723 Y724 T729 W731 Y732W693-V727 HydrophobicContact CH2-CG1 3.38Å; W693-V727 HydrophobicContact CZ2-CG1 3.57Å; Y697-V727 HydrophobicContact CD1-CG1 4.02Å; Y697-V727 HydrophobicContact CE1-CB 4.01Å; Y697-V727 HydrophobicContact CE1-CG1 3.73Å; Y697-V727 HydrophobicContact CE1-CG2 4.17Å; R723-V727 WeakPolarHBondContact O-CG2 3.35Å; R723-V727 PolarHBondContact O-N 3.4Å; Y724-V727 CarbonylContact O-C 3.56Å; Y724-V727 WeakPolarHBondContact O-CA 3.34Å; Y724-V727 WeakPolarHBondContact O-CB 3.38Å; Y724-V727 PolarHBondContact O-N 2.95Å; V727-T729 PolarHBondContact O-N 2.99Å; V727-W731 VanDerWaalsContact O-CB 3.28Å; V727-W731 WeakPolarHBondContact O-CB 3.48Å; V727-W731 PolarHBondContact O-N 3.32Å; V727-Y732 PolarHBondContact O-N 2.76Å
728L96.3Very high93.8Very high0 Ų039.3 Ų39.30%018%0.183CC..Iπ-helixtrans-57.5-47.9177.9176.561.5000111.6I694 Y724 N726 Y732 V733 L756 V759 L760 L763I694-L728 HydrophobicContact CD1-CD1 4.2Å; I694-L728 HydrophobicContact CG1-CD1 4.16Å; Y724-L728 HydrophobicContact CE1-CB 4.3Å; Y724-L728 HydrophobicContact CE1-CD2 4.32Å; Y724-L728 WeakPolarHBondContact O-CB 3.45Å; Y724-L728 PolarHBondContact O-N 3.37Å; N726-L728 PolarHBondContact O-N 3.33Å; L728-Y732 HydrophobicContact CD1-CD1 4.02Å; L728-Y732 PolarHBondContact O-N 3.09Å; L728-V733 HydrophobicContact CD1-CG2 4.5Å; L728-V733 WeakPolarHBondContact O-CG2 3.4Å; L728-V733 PolarHBondContact O-N 2.95Å; L728-L756 HydrophobicContact CD1-CD1 4.1Å; L728-V759 HydrophobicContact CD1-CG1 3.75Å; L728-V759 HydrophobicContact CD2-CG1 4.27Å; L728-L760 HydrophobicContact CD2-CD2 3.95Å; L728-L763 HydrophobicContact CD2-CD2 4.07Å
729T95.1Very high93.9Very high18 Ų1839.7 Ų39.711%0.1118%0.184CC..Iπ-helixtrans-77.7-48.3-173.653.80000112.8P656 A660 I725 N726 V727 R734P656-T729 HydrophobicContact CB-CG2 3.95Å; P656-T729 WeakPolarHBondContact O-CG2 3.4Å; A660-T729 HydrophobicContact CB-CG2 4.02Å; I725-T729 HydrophobicContact CG2-CG2 4.47Å; I725-T729 WeakPolarHBondContact O-CB 3.47Å; I725-T729 VanDerWaalsContact O-CG2 3.27Å; I725-T729 WeakPolarHBondContact O-CG2 3.46Å; I725-T729 PolarHBondContact O-N 2.98Å; I725-T729 PolarHBondContact O-OG1 2.88Å; N726-T729 PolarHBondContact O-N 3.05Å; N726-T729 PolarHBondContact O-OG1 3.17Å; V727-T729 PolarHBondContact O-N 2.99Å; T729-R734 PolarHBondContact O-N 3.03Å
730N93.4Very high94Very high77 Ų7737.5 Ų37.541%0.41217%0.17SC..Iπ-helixtrans-87.9-17.8-171.4-69.3-37000114.1N726 R734N726-N730 VanDerWaalsContact O-CB 3.3Å; N726-N730 WeakPolarHBondContact O-CB 3.28Å; N726-N730 PolarHBondContact O-N 3.07Å; N726-N730 PolarHBondContact OD1-ND2 2.76Å; N730-R734 VanDerWaalsContact O-CB 3.3Å; N730-R734 WeakPolarHBondContact O-CB 3.39Å; N730-R734 WeakPolarHBondContact O-CD 3.46Å
731W94.7Very high93.7Very high13 Ų1340.8 Ų40.85%0.04918%0.181CC..Iπ-helixtrans-112.1-65.8177.5-62.687.2000111.2W693 V727 M735 M822 Q823 I826 E827W693-W731 HydrophobicContact CH2-CB 3.96Å; W693-W731 HydrophobicContact CZ3-CB 4.36Å; V727-W731 VanDerWaalsContact O-CB 3.28Å; V727-W731 WeakPolarHBondContact O-CB 3.48Å; V727-W731 PolarHBondContact O-N 3.32Å; W731-M735 HydrophobicContact CD2-CE 4.18Å; W731-M735 HydrophobicContact CE3-CE 3.08Å; W731-M735 HydrophobicContact CE3-SD 4.21Å; W731-M735 HydrophobicContact CZ3-CE 3.36Å; W731-M735 VanDerWaalsContact O-CB 3.32Å; W731-M735 WeakPolarHBondContact O-CB 3.46Å; W731-M735 VanDerWaalsContact O-CG 3.27Å; W731-M735 WeakPolarHBondContact O-CG 3.41Å; W731-M735 PolarHBondContact O-N 2.97Å; W731-M822 HydrophobicContact CE3-CE 4.46Å; W731-Q823 HydrophobicContact CD2-CG 3.71Å; W731-Q823 HydrophobicContact CE3-CB 4.43Å; W731-Q823 HydrophobicContact CE3-CG 3.5Å; W731-Q823 VanDerWaalsContact CE3-CG 3.5Å; W731-Q823 HydrophobicContact CG-CG 4.5Å; W731-Q823 VanDerWaalsContact CG-NE2 3.32Å; W731-Q823 HydrophobicContact CH2-CB 3.82Å; W731-Q823 HydrophobicContact CH2-CG 3.79Å; W731-Q823 HydrophobicContact CZ2-CB 4.02Å; W731-Q823 HydrophobicContact CZ2-CG 3.91Å; W731-Q823 HydrophobicContact CZ3-CB 4.04Å; W731-Q823 HydrophobicContact CZ3-CG 3.58Å; W731-I826 HydrophobicContact CH2-CB 4Å; W731-I826 HydrophobicContact CH2-CG2 3.85Å; W731-I826 HydrophobicContact CZ3-CB 4.16Å; W731-I826 HydrophobicContact CZ3-CD1 3.85Å; W731-I826 HydrophobicContact CZ3-CG2 4.08Å; W731-E827 HydrophobicContact CH2-CG 4.26Å; W731-E827 HydrophobicContact CZ2-CG 4.09Å
732Y96.3Very high93.3Very high0 Ų041.1 Ų41.10%019%0.185CC..Iπ-helixtrans-64.6-57.3-173.5179.6-100.5000112.8M690 D691 I694 V727 L728 R734 M735 N736 A752 T755 L756M690-Y732 HydrophobicContact CB-CD2 4.38Å; M690-Y732 HydrophobicContact CB-CE2 4.4Å; D691-Y732 WeakPolarHBondContact OD1-CE2 3.49Å; D691-Y732 PolarHBondContact OD1-OH 3.09Å; D691-Y732 VanDerWaalsContact OD1-OH 3.08Å; I694-Y732 HydrophobicContact CB-CD2 3.64Å; I694-Y732 HydrophobicContact CB-CE2 4.03Å; I694-Y732 HydrophobicContact CB-CG 3.99Å; I694-Y732 HydrophobicContact CD1-CG 4.46Å; I694-Y732 HydrophobicContact CG1-CD1 4.35Å; I694-Y732 HydrophobicContact CG1-CD2 4.14Å; I694-Y732 HydrophobicContact CG1-CG 3.94Å; I694-Y732 HydrophobicContact CG2-CD1 4.43Å; I694-Y732 HydrophobicContact CG2-CD2 3.54Å; I694-Y732 HydrophobicContact CG2-CE1 4.28Å; I694-Y732 HydrophobicContact CG2-CE2 3.36Å; I694-Y732 HydrophobicContact CG2-CG 4.08Å; V727-Y732 PolarHBondContact O-N 2.76Å; L728-Y732 HydrophobicContact CD1-CD1 4.02Å; L728-Y732 PolarHBondContact O-N 3.09Å; Y732-R734 VanDerWaalsContact C-N 3.3Å; Y732-R734 PolarHBondContact O-N 3.4Å; Y732-M735 PolarHBondContact O-N 3.38Å; Y732-N736 WeakPolarHBondContact CD2-ND2 3.36Å; Y732-N736 WeakPolarHBondContact CE2-ND2 3.42Å; Y732-N736 WeakPolarHBondContact O-CB 3.35Å; Y732-N736 PolarHBondContact O-N 2.86Å; Y732-N736 PolarHBondContact O-ND2 3.42Å; Y732-A752 PolarHBondContact OH-O 3.2Å; Y732-T755 WeakPolarHBondContact OH-CB 3.46Å; Y732-T755 WeakPolarHBondContact OH-CG2 3.27Å; Y732-L756 HydrophobicContact CD1-CD1 4.31Å; Y732-L756 HydrophobicContact CE1-CB 4.15Å; Y732-L756 HydrophobicContact CE1-CD1 4.07Å
733V95.5Very high92.9Very high11 Ų1142.9 Ų42.97%0.06719%0.193CC..Iπ-helixtrans-64.3-37-178.3173.30000111.4A660 F663 L728 R737 L756A660-V733 HydrophobicContact CB-CG2 4.28Å; F663-V733 HydrophobicContact CD1-CG1 3.87Å; F663-V733 HydrophobicContact CE1-CG1 4.21Å; L728-V733 HydrophobicContact CD1-CG2 4.5Å; L728-V733 WeakPolarHBondContact O-CG2 3.4Å; L728-V733 PolarHBondContact O-N 2.95Å; V733-R737 PolarHBondContact O-N 3.35Å; V733-L756 HydrophobicContact CG2-CD1 4.09Å; V733-L756 HydrophobicContact CG2-CD2 4.42Å
734R92.4Very high92.5Very high96 Ų9640.6 Ų40.636%0.36219%0.189SC..Hα-helixtrans-64-52.2178.3-179-178.1170158.2-2.5111.9T729 N730 Y732 R737 E870T729-R734 PolarHBondContact O-N 3.03Å; N730-R734 VanDerWaalsContact O-CB 3.3Å; N730-R734 WeakPolarHBondContact O-CB 3.39Å; N730-R734 WeakPolarHBondContact O-CD 3.46Å; Y732-R734 VanDerWaalsContact C-N 3.3Å; Y732-R734 PolarHBondContact O-N 3.4Å; R734-R737 WeakPolarHBondContact O-CB 3.32Å; R734-R737 PolarHBondContact O-N 3.29Å; R734-E870 IonicContact CZ-OE2 2.74Å; R734-E870 IonicContact NE-OE1 2.72Å; R734-E870 PolarHBondContact NE-OE1 2.88Å; R734-E870 IonicContact NE-OE2 2.91Å; R734-E870 PolarHBondContact NE-OE2 3.29Å; R734-E870 IonicContact NH2-OE2 2.76Å; R734-E870 PolarHBondContact NH2-OE2 3.17Å
735M92.4Very high92Very high24 Ų2442.3 Ų42.312%0.11821%0.207CC..Hα-helixtrans-74.2-29.4-174.9-66.3-177.3-17400112.5M690 W731 Y732 R737 M822 I826 Y866 E870M690-M735 HydrophobicContact CE-CB 4.43Å; M690-M735 HydrophobicContact CE-SD 3.98Å; W731-M735 HydrophobicContact CD2-CE 4.18Å; W731-M735 HydrophobicContact CE3-CE 3.08Å; W731-M735 HydrophobicContact CE3-SD 4.21Å; W731-M735 HydrophobicContact CZ3-CE 3.36Å; W731-M735 VanDerWaalsContact O-CB 3.32Å; W731-M735 WeakPolarHBondContact O-CB 3.46Å; W731-M735 VanDerWaalsContact O-CG 3.27Å; W731-M735 WeakPolarHBondContact O-CG 3.41Å; W731-M735 PolarHBondContact O-N 2.97Å; Y732-M735 PolarHBondContact O-N 3.38Å; M735-R737 VanDerWaalsContact C-N 3.35Å; M735-M822 HydrophobicContact CE-CE 4.24Å; M735-M822 HydrophobicContact SD-CE 3.81Å; M735-I826 HydrophobicContact CE-CD1 4.06Å; M735-Y866 HydrophobicContact CB-CD1 4.46Å; M735-Y866 HydrophobicContact SD-CD1 4.47Å; M735-E870 HydrophobicContact CE-CB 4.47Å; M735-E870 HydrophobicContact CE-CG 3.66Å; M735-E870 HydrophobicContact CG-CG 4.1Å; M735-E870 HydrophobicContact SD-CG 4.34Å
736N93.6Very high91.6Very high0 Ų046.9 Ų46.90%023%0.228CC..THydrogen-bonded Turntrans-92.610.8178.3-67.4-75.9000113.4Y732 K738 R739 L740Y732-N736 WeakPolarHBondContact CD2-ND2 3.36Å; Y732-N736 WeakPolarHBondContact CE2-ND2 3.42Å; Y732-N736 WeakPolarHBondContact O-CB 3.35Å; Y732-N736 PolarHBondContact O-N 2.86Å; Y732-N736 PolarHBondContact O-ND2 3.42Å; N736-K738 VanDerWaalsContact C-N 3.29Å; N736-K738 PolarHBondContact O-N 3.38Å; N736-R739 HydrophobicContact CB-CB 4.46Å; N736-R739 WeakPolarHBondContact O-CA 3.46Å; N736-R739 WeakPolarHBondContact O-CB 3.38Å; N736-R739 PolarHBondContact O-N 2.81Å; N736-R739 WeakPolarHBondContact OD1-CD 3.49Å; N736-R739 PolarHBondContact OD1-NH1 3.44Å; N736-L740 HydrophobicContact CB-CD1 4.12Å; N736-L740 HydrophobicContact CB-CG 4.38Å; N736-L740 WeakPolarHBondContact O-CB 3.45Å; N736-L740 WeakPolarHBondContact O-CG 3.36Å; N736-L740 PolarHBondContact O-N 3.26Å
737R91.5Very high91.3Very high134 Ų13449.8 Ų49.851%0.50624%0.237SC..Hα-helixtrans-60.7-36.1-174.4-151-179.2-143.8178.711.5113.6F663 V733 R734 M735 K741F663-R737 HydrophobicContact CE1-CG 4.18Å; F663-R737 HydrophobicContact CE2-CG 4.07Å; F663-R737 HydrophobicContact CZ-CG 3.46Å; F663-R737 VanDerWaalsContact CZ-CG 3.46Å; V733-R737 PolarHBondContact O-N 3.35Å; R734-R737 WeakPolarHBondContact O-CB 3.32Å; R734-R737 PolarHBondContact O-N 3.29Å; M735-R737 VanDerWaalsContact C-N 3.35Å; R737-K741 WeakPolarHBondContact O-CB 3.46Å; R737-K741 VanDerWaalsContact O-CG 3.27Å; R737-K741 WeakPolarHBondContact O-CG 3.31Å; R737-K741 PolarHBondContact O-N 3.38Å
738K89.1Confident91Very high106 Ų10652.2 Ų52.246%0.46125%0.247SC..Hα-helixtrans-67-42.3174.7-66.1176.8-174.1165.90110.8N736 K741 G742 D743 Q744 D869N736-K738 VanDerWaalsContact C-N 3.29Å; N736-K738 PolarHBondContact O-N 3.38Å; K738-K741 PolarHBondContact O-N 3Å; K738-G742 PolarHBondContact O-N 3.4Å; K738-D743 HydrophobicContact CB-CB 4.25Å; K738-D743 WeakPolarHBondContact O-CB 3.15Å; K738-D743 PolarHBondContact O-N 2.94Å; K738-Q744 HydrophobicContact CB-CG 4.34Å; K738-D869 IonicContact NZ-OD2 2.69Å; K738-D869 PolarHBondContact NZ-OD2 2.9Å
739R93Very high90.8Very high7 Ų752.3 Ų52.33%0.02625%0.248CC..Hα-helixtrans-61.7-53.6175.2-69.8178.968.8-126-0.8111.2N688 D691 N736 K741 G742 Q744 E748 C749 A752N688-R739 VanDerWaalsContact CB-NH2 3.34Å; N688-R739 VanDerWaalsContact ND2-CZ 3.29Å; N688-R739 PolarHBondContact ND2-NH1 3.31Å; N688-R739 PolarHBondContact OD1-NH1 2.88Å; D691-R739 IonicContact OD1-CZ 3.66Å; D691-R739 IonicContact OD1-NH1 3.26Å; D691-R739 PolarHBondContact OD1-NH1 3.21Å; D691-R739 IonicContact OD1-NH2 2.68Å; D691-R739 IonicContact OD2-CZ 3.42Å; D691-R739 IonicContact OD2-NH1 3.87Å; D691-R739 PolarHBondContact OD2-NH1 3.45Å; D691-R739 IonicContact OD2-NH2 3.79Å; D691-R739 PolarHBondContact OD2-NH2 2.96Å; N736-R739 HydrophobicContact CB-CB 4.46Å; N736-R739 WeakPolarHBondContact O-CA 3.46Å; N736-R739 WeakPolarHBondContact O-CB 3.38Å; N736-R739 PolarHBondContact O-N 2.81Å; N736-R739 WeakPolarHBondContact OD1-CD 3.49Å; N736-R739 PolarHBondContact OD1-NH1 3.44Å; R739-K741 PolarHBondContact O-N 3.14Å; R739-K741 VanDerWaalsContact O-N 3.16Å; R739-G742 WeakPolarHBondContact O-CA 3.46Å; R739-G742 PolarHBondContact O-N 3.22Å; R739-Q744 HydrophobicContact CG-CB 4.33Å; R739-Q744 HydrophobicContact CG-CG 4.46Å; R739-E748 IonicContact CZ-OE2 3.55Å; R739-E748 IonicContact NE-OE2 2.84Å; R739-E748 PolarHBondContact NE-OE2 3.5Å; R739-E748 IonicContact NH2-OE2 3.11Å; R739-E748 PolarHBondContact NH2-OE2 3.5Å; R739-C749 VanDerWaalsContact O-CA 3.31Å; R739-C749 WeakPolarHBondContact O-CA 3.44Å; R739-C749 WeakPolarHBondContact O-CB 3.48Å; R739-A752 HydrophobicContact CB-CB 4.09Å
740L92.5Very high90.6Very high0 Ų054 Ų540%026%0.256CS..Hα-helixtrans-60.9-26.6-178.8-70.3163.1000113.6F663 N667 N736 C749 A752 L753 L756F663-L740 HydrophobicContact CD1-CD1 4.31Å; F663-L740 HydrophobicContact CE1-CB 3.72Å; F663-L740 HydrophobicContact CE1-CD1 3.71Å; F663-L740 HydrophobicContact CE1-CG 4.31Å; F663-L740 HydrophobicContact CZ-CB 4.27Å; N667-L740 VanDerWaalsContact CB-O 3.32Å; N667-L740 WeakPolarHBondContact CB-O 3.33Å; N667-L740 PolarHBondContact OD1-O 3Å; N736-L740 HydrophobicContact CB-CD1 4.12Å; N736-L740 HydrophobicContact CB-CG 4.38Å; N736-L740 WeakPolarHBondContact O-CB 3.45Å; N736-L740 WeakPolarHBondContact O-CG 3.36Å; N736-L740 PolarHBondContact O-N 3.26Å; L740-C749 PolarHBondContact O-SG 2.99Å; L740-A752 HydrophobicContact CD2-CB 3.81Å; L740-A752 WeakPolarHBondContact CD2-O 3.21Å; L740-A752 HydrophobicContact CG-CB 4.16Å; L740-L753 HydrophobicContact CD2-CD2 3.82Å; L740-L753 HydrophobicContact CD2-CG 4.23Å; L740-L756 HydrophobicContact CD1-CD2 4.13Å; L740-L756 HydrophobicContact CD2-CB 4.34Å; L740-L756 HydrophobicContact CD2-CD2 3.98Å
741K89.8Confident90.5Very high86 Ų8651.4 Ų51.437%0.37424%0.242SC..THydrogen-bonded Turntrans-84.1-10.8173.7-75.4178.7173.8-166.50113.9F663 N667 R737 K738 R739F663-K741 HydrophobicContact CZ-CG 4.26Å; N667-K741 WeakPolarHBondContact OD1-CG 3.44Å; R737-K741 WeakPolarHBondContact O-CB 3.46Å; R737-K741 VanDerWaalsContact O-CG 3.27Å; R737-K741 WeakPolarHBondContact O-CG 3.31Å; R737-K741 PolarHBondContact O-N 3.38Å; K738-K741 PolarHBondContact O-N 3Å; R739-K741 PolarHBondContact O-N 3.14Å; R739-K741 VanDerWaalsContact O-N 3.16Å
742G86.4Confident90.4Very high9 Ų950.8 Ų50.89%0.09324%0.239CC..THydrogen-bonded Turntrans78.621.7-175.300000115.3R674 K738 R739 Q744R674-G742 PolarHBondContact NH1-O 2.91Å; K738-G742 PolarHBondContact O-N 3.4Å; R739-G742 WeakPolarHBondContact O-CA 3.46Å; R739-G742 PolarHBondContact O-N 3.22Å; G742-Q744 VanDerWaalsContact C-N 3.25Å; G742-Q744 PolarHBondContact O-N 2.86Å
743D84Confident90.3Very high71 Ų7150.8 Ų50.838%0.3824%0.239SC..THydrogen-bonded Turntrans-72.6-19.6176.1-62.7-30.8000112.5K738 R1037K738-D743 HydrophobicContact CB-CB 4.25Å; K738-D743 WeakPolarHBondContact O-CB 3.15Å; K738-D743 PolarHBondContact O-N 2.94Å; D743-R1037 IonicContact OD1-CZ 2.71Å; D743-R1037 IonicContact OD1-NH1 2.84Å; D743-R1037 IonicContact OD1-NH2 3.25Å; D743-R1037 PolarHBondContact OD1-NH2 3.15Å
744Q84.4Confident90.1Very high106 Ų10650.9 Ų50.950%0.49524%0.239SC..THydrogen-bonded Turntrans-105.216.9-179.8-66.4-171.6-2300113.2K738 R739 G742 E748K738-Q744 HydrophobicContact CB-CG 4.34Å; R739-Q744 HydrophobicContact CG-CB 4.33Å; R739-Q744 HydrophobicContact CG-CG 4.46Å; G742-Q744 VanDerWaalsContact C-N 3.25Å; G742-Q744 PolarHBondContact O-N 2.86Å; Q744-E748 HydrophobicContact CB-CB 4.46Å
745G86.7Confident90.2Very high36 Ų3646.5 Ų46.537%0.37122%0.223SC..  trans107.9165.5-179.700000113.5C749G745-C749 WeakPolarHBondContact O-CB 3.44Å; G745-C749 PolarHBondContact O-N 3.3Å
746E86.7Confident90.3Very high98 Ų9845.4 Ų45.446%0.45822%0.218SC..Hα-helixtrans-72.5-45.8-175-170.8177.9166.200112.5T675 E748 C749 I750T675-E746 HydrophobicContact CG2-CG 4.36Å; T675-E746 WeakPolarHBondContact CG2-OE1 3.24Å; E746-E748 PolarHBondContact O-N 3.16Å; E746-C749 VanDerWaalsContact O-CB 3.29Å; E746-C749 WeakPolarHBondContact O-CB 3.36Å; E746-C749 PolarHBondContact O-N 3.38Å; E746-C749 VanDerWaalsContact O-N 3.15Å; E746-I750 HydrophobicContact CG-CD1 4.1Å; E746-I750 WeakPolarHBondContact O-CG1 3.24Å; E746-I750 PolarHBondContact O-N 2.85Å
747K88Confident90.3Very high140 Ų14045.4 Ų45.461%0.60922%0.218SC*.Hα-helixtrans-57.9-51.8178.2-174.5-174.1174.3-170.20111.7C749 I750 D751K747-C749 PolarHBondContact O-N 2.86Å; K747-I750 PolarHBondContact O-N 3.26Å; K747-I750 VanDerWaalsContact O-N 3.1Å; K747-D751 PolarHBondContact O-N 3.3Å
748E90.1Very high90.3Very high64 Ų6440.1 Ų40.130%0.29920%0.199SC..Hα-helixtrans-59-32.5177.6-70.8-62.6145.400113.1R739 Q744 E746 A752R739-E748 IonicContact CZ-OE2 3.55Å; R739-E748 IonicContact NE-OE2 2.84Å; R739-E748 PolarHBondContact NE-OE2 3.5Å; R739-E748 IonicContact NH2-OE2 3.11Å; R739-E748 PolarHBondContact NH2-OE2 3.5Å; Q744-E748 HydrophobicContact CB-CB 4.46Å; E746-E748 PolarHBondContact O-N 3.16Å; E748-A752 VanDerWaalsContact O-CB 3.25Å; E748-A752 WeakPolarHBondContact O-CB 3.29Å; E748-A752 PolarHBondContact O-N 3.13Å
749C91.2Very high90.5Very high3 Ų335.1 Ų35.12%0.0218%0.177CC..Hα-helixtrans-68-48.4175.1-168.90000111.3R739 L740 G745 E746 K747 A752 L753R739-C749 VanDerWaalsContact O-CA 3.31Å; R739-C749 WeakPolarHBondContact O-CA 3.44Å; R739-C749 WeakPolarHBondContact O-CB 3.48Å; L740-C749 PolarHBondContact O-SG 2.99Å; G745-C749 WeakPolarHBondContact O-CB 3.44Å; G745-C749 PolarHBondContact O-N 3.3Å; E746-C749 VanDerWaalsContact O-CB 3.29Å; E746-C749 WeakPolarHBondContact O-CB 3.36Å; E746-C749 PolarHBondContact O-N 3.38Å; E746-C749 VanDerWaalsContact O-N 3.15Å; K747-C749 PolarHBondContact O-N 2.86Å; C749-A752 PolarHBondContact O-N 2.84Å; C749-L753 WeakPolarHBondContact O-CB 3.23Å; C749-L753 WeakPolarHBondContact O-CG 3.28Å; C749-L753 PolarHBondContact O-N 3.4Å
750I90.5Very high90.6Very high53 Ų5334.8 Ų34.827%0.27218%0.176SC..Hα-helixtrans-60.7-53.4179.6-67.3170.5000109.6E746 K747 A752 L753 E754E746-I750 HydrophobicContact CG-CD1 4.1Å; E746-I750 WeakPolarHBondContact O-CG1 3.24Å; E746-I750 PolarHBondContact O-N 2.85Å; K747-I750 PolarHBondContact O-N 3.26Å; K747-I750 VanDerWaalsContact O-N 3.1Å; I750-A752 VanDerWaalsContact C-N 3.29Å; I750-A752 PolarHBondContact O-N 3.25Å; I750-L753 PolarHBondContact O-N 3.14Å; I750-L753 VanDerWaalsContact O-N 3.08Å; I750-E754 HydrophobicContact CG2-CG 4.12Å; I750-E754 WeakPolarHBondContact CG2-OE2 3.27Å; I750-E754 VanDerWaalsContact O-CG 3.32Å; I750-E754 WeakPolarHBondContact O-CG 3.49Å; I750-E754 PolarHBondContact O-N 2.69Å
751D91.4Very high90.6Very high22 Ų2235.1 Ų35.112%0.11818%0.178CC..Hα-helixtrans-56.7-42.5-178.2-64.1-6.1000111.9L683 K747 T755L683-D751 HydrophobicContact CD2-CB 4.06Å; K747-D751 PolarHBondContact O-N 3.3Å; D751-T755 WeakPolarHBondContact O-CB 3.39Å; D751-T755 PolarHBondContact O-N 2.99Å; D751-T755 PolarHBondContact O-OG1 3.28Å
752A93.4Very high90.7Very high0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-69.9-39.1178.500000112.8Y732 R739 L740 E748 C749 I750 L756Y732-A752 PolarHBondContact OH-O 3.2Å; R739-A752 HydrophobicContact CB-CB 4.09Å; L740-A752 HydrophobicContact CD2-CB 3.81Å; L740-A752 WeakPolarHBondContact CD2-O 3.21Å; L740-A752 HydrophobicContact CG-CB 4.16Å; E748-A752 VanDerWaalsContact O-CB 3.25Å; E748-A752 WeakPolarHBondContact O-CB 3.29Å; E748-A752 PolarHBondContact O-N 3.13Å; C749-A752 PolarHBondContact O-N 2.84Å; I750-A752 VanDerWaalsContact C-N 3.29Å; I750-A752 PolarHBondContact O-N 3.25Å; A752-L756 WeakPolarHBondContact O-CB 3.49Å; A752-L756 PolarHBondContact O-N 2.81Å
753L93.6Very high91.2Very high0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-66.6-44.2176.3-72.5171.7000110.8L664 N667 V668 F679 L740 C749 I750 T755 L756 S757L664-L753 HydrophobicContact CD1-CD2 3.89Å; N667-L753 HydrophobicContact CB-CD2 3.75Å; V668-L753 HydrophobicContact CG2-CD2 4.17Å; F679-L753 HydrophobicContact CE2-CB 3.7Å; F679-L753 HydrophobicContact CE2-CD1 4.27Å; F679-L753 HydrophobicContact CZ-CB 3.59Å; L740-L753 HydrophobicContact CD2-CD2 3.82Å; L740-L753 HydrophobicContact CD2-CG 4.23Å; C749-L753 WeakPolarHBondContact O-CB 3.23Å; C749-L753 WeakPolarHBondContact O-CG 3.28Å; C749-L753 PolarHBondContact O-N 3.4Å; I750-L753 PolarHBondContact O-N 3.14Å; I750-L753 VanDerWaalsContact O-N 3.08Å; L753-T755 VanDerWaalsContact C-N 3.35Å; L753-T755 PolarHBondContact O-N 3.39Å; L753-L756 PolarHBondContact O-N 2.98Å; L753-S757 WeakPolarHBondContact O-CB 3.33Å; L753-S757 PolarHBondContact O-N 3.31Å; L753-S757 PolarHBondContact O-OG 3.1Å; L753-S757 VanDerWaalsContact O-OG 3.13Å
754E92Very high91.8Very high13 Ų1327.9 Ų27.96%0.06114%0.141CC..Hα-helixtrans-63.4-42178.5-68-174.8111.600111.5F679 K682 L683 I750 S757 H758F679-E754 HydrophobicContact CE2-CG 3.84Å; F679-E754 HydrophobicContact CZ-CB 4.41Å; F679-E754 HydrophobicContact CZ-CG 3.62Å; K682-E754 WeakPolarHBondContact CA-OE1 3.29Å; K682-E754 WeakPolarHBondContact CB-OE1 3.24Å; K682-E754 PolarHBondContact N-OE1 3.44Å; L683-E754 HydrophobicContact CB-CB 4.03Å; L683-E754 HydrophobicContact CB-CG 4.42Å; L683-E754 WeakPolarHBondContact CB-OE2 3.32Å; L683-E754 PolarHBondContact N-OE1 3.41Å; I750-E754 HydrophobicContact CG2-CG 4.12Å; I750-E754 WeakPolarHBondContact CG2-OE2 3.27Å; I750-E754 VanDerWaalsContact O-CG 3.32Å; I750-E754 WeakPolarHBondContact O-CG 3.49Å; I750-E754 PolarHBondContact O-N 2.69Å; E754-S757 PolarHBondContact O-N 2.85Å; E754-H758 PolarHBondContact O-N 3.46Å; E754-H758 PolarHBondContact O-ND1 3.04Å
755T93.2Very high92.3Very high5 Ų524.7 Ų24.73%0.03112%0.124CC..Hα-helixtrans-61.9-47.5174.8-58.40000111.1D691 I694 M695 Y732 D751 L753 S757 H758 V759D691-T755 HydrophobicContact CB-CG2 3.85Å; I694-T755 HydrophobicContact CG2-CG2 3.75Å; M695-T755 HydrophobicContact CE-CG2 4.08Å; Y732-T755 WeakPolarHBondContact OH-CB 3.46Å; Y732-T755 WeakPolarHBondContact OH-CG2 3.27Å; D751-T755 WeakPolarHBondContact O-CB 3.39Å; D751-T755 PolarHBondContact O-N 2.99Å; D751-T755 PolarHBondContact O-OG1 3.28Å; L753-T755 VanDerWaalsContact C-N 3.35Å; L753-T755 PolarHBondContact O-N 3.39Å; T755-S757 VanDerWaalsContact C-N 3.33Å; T755-S757 PolarHBondContact O-N 3.22Å; T755-H758 PolarHBondContact O-N 2.89Å; T755-V759 HydrophobicContact CG2-CG2 4.44Å; T755-V759 WeakPolarHBondContact O-CB 3.29Å; T755-V759 VanDerWaalsContact O-CG2 3.31Å; T755-V759 WeakPolarHBondContact O-CG2 3.37Å; T755-V759 PolarHBondContact O-N 3.14Å
756L94.8Very high92.7Very high0 Ų023.1 Ų23.10%011%0.107CC..Hα-helixtrans-64.1-38179.4-178.357.2000112L664 L728 Y732 V733 L740 A752 L753 V759 L760L664-L756 HydrophobicContact CB-CD2 3.9Å; L664-L756 HydrophobicContact CB-CG 4.29Å; L664-L756 HydrophobicContact CD1-CB 4.21Å; L664-L756 HydrophobicContact CD1-CD2 4.04Å; L664-L756 HydrophobicContact CD1-CG 4.1Å; L664-L756 HydrophobicContact CG-CD2 4.49Å; L728-L756 HydrophobicContact CD1-CD1 4.1Å; Y732-L756 HydrophobicContact CD1-CD1 4.31Å; Y732-L756 HydrophobicContact CE1-CB 4.15Å; Y732-L756 HydrophobicContact CE1-CD1 4.07Å; V733-L756 HydrophobicContact CG2-CD1 4.09Å; V733-L756 HydrophobicContact CG2-CD2 4.42Å; L740-L756 HydrophobicContact CD1-CD2 4.13Å; L740-L756 HydrophobicContact CD2-CB 4.34Å; L740-L756 HydrophobicContact CD2-CD2 3.98Å; A752-L756 WeakPolarHBondContact O-CB 3.49Å; A752-L756 PolarHBondContact O-N 2.81Å; L753-L756 PolarHBondContact O-N 2.98Å; L756-V759 PolarHBondContact O-N 3.04Å; L756-L760 HydrophobicContact CD1-CD1 4.1Å; L756-L760 HydrophobicContact CD1-CG 4.16Å; L756-L760 HydrophobicContact CG-CD1 4.15Å; L756-L760 WeakPolarHBondContact O-CB 3.22Å; L756-L760 WeakPolarHBondContact O-CG 3.42Å; L756-L760 PolarHBondContact O-N 2.78Å
757S93.4Very high93.2Very high0 Ų018.5 Ų18.50%09%0.086CC..Hα-helixtrans-59.2-51.9173.8-71.60000111.7L664 L753 E754 T755 V759 L760 I761 L785L664-S757 WeakPolarHBondContact CD2-OG 3.36Å; L753-S757 WeakPolarHBondContact O-CB 3.33Å; L753-S757 PolarHBondContact O-N 3.31Å; L753-S757 PolarHBondContact O-OG 3.1Å; L753-S757 VanDerWaalsContact O-OG 3.13Å; E754-S757 PolarHBondContact O-N 2.85Å; T755-S757 VanDerWaalsContact C-N 3.33Å; T755-S757 PolarHBondContact O-N 3.22Å; S757-V759 PolarHBondContact O-N 2.93Å; S757-L760 PolarHBondContact O-N 2.96Å; S757-I761 WeakPolarHBondContact O-CB 3.14Å; S757-I761 VanDerWaalsContact O-CG1 3.26Å; S757-I761 WeakPolarHBondContact O-CG1 3.15Å; S757-I761 PolarHBondContact O-N 2.83Å; S757-L785 WeakPolarHBondContact OG-CD1 3.46Å
758H91Very high93.6Very high24 Ų2411.9 Ų11.911%0.1116%0.057CC..Hα-helixtrans-60.1-45.6178.2-80.987.6000112L683 M695 E754 T755 L760 I761 L762L683-H758 PolarHBondContact O-CE1 3.38Å; M695-H758 HydrophobicContact CE-CB 3.8Å; E754-H758 PolarHBondContact O-N 3.46Å; E754-H758 PolarHBondContact O-ND1 3.04Å; T755-H758 PolarHBondContact O-N 2.89Å; H758-L760 PolarHBondContact O-N 2.67Å; H758-I761 PolarHBondContact O-N 2.68Å; H758-L762 WeakPolarHBondContact O-CB 2.96Å; H758-L762 WeakPolarHBondContact O-CG 3.06Å; H758-L762 PolarHBondContact O-N 3.33Å
759V94Very high94Very high0 Ų08.8 Ų8.80%04%0.043CC..Hα-helixtrans-59-46.6178.6165.10000111.5I694 M695 Y724 L728 T755 L756 S757 L762 L763I694-V759 HydrophobicContact CG1-CG1 4.23Å; I694-V759 HydrophobicContact CG1-CG2 4.06Å; I694-V759 HydrophobicContact CG2-CG2 3.97Å; M695-V759 HydrophobicContact CE-CG2 3.79Å; Y724-V759 WeakPolarHBondContact OH-CG1 3.41Å; L728-V759 HydrophobicContact CD1-CG1 3.75Å; L728-V759 HydrophobicContact CD2-CG1 4.27Å; T755-V759 HydrophobicContact CG2-CG2 4.44Å; T755-V759 WeakPolarHBondContact O-CB 3.29Å; T755-V759 VanDerWaalsContact O-CG2 3.31Å; T755-V759 WeakPolarHBondContact O-CG2 3.37Å; T755-V759 PolarHBondContact O-N 3.14Å; L756-V759 PolarHBondContact O-N 3.04Å; S757-V759 PolarHBondContact O-N 2.93Å; V759-L762 PolarHBondContact O-N 3.47Å; V759-L763 WeakPolarHBondContact O-CB 3.41Å; V759-L763 PolarHBondContact O-N 2.73Å
760L95.1Very high94.2Very high0 Ų08.7 Ų8.70%04%0.042CC..Hα-helixtrans-66.1-38.5178.3-76.6173.2000112L664 L728 L756 S757 H758 L763 I764 L782L664-L760 HydrophobicContact CB-CD1 4.15Å; L664-L760 HydrophobicContact CD2-CD1 3.68Å; L728-L760 HydrophobicContact CD2-CD2 3.95Å; L756-L760 HydrophobicContact CD1-CD1 4.1Å; L756-L760 HydrophobicContact CD1-CG 4.16Å; L756-L760 HydrophobicContact CG-CD1 4.15Å; L756-L760 WeakPolarHBondContact O-CB 3.22Å; L756-L760 WeakPolarHBondContact O-CG 3.42Å; L756-L760 PolarHBondContact O-N 2.78Å; S757-L760 PolarHBondContact O-N 2.96Å; H758-L760 PolarHBondContact O-N 2.67Å; L760-L763 PolarHBondContact O-N 3.15Å; L760-I764 WeakPolarHBondContact O-CG1 3.25Å; L760-I764 WeakPolarHBondContact O-CG2 3.45Å; L760-I764 PolarHBondContact O-N 3.25Å; L760-L782 HydrophobicContact CB-CD1 4.11Å
761I92.5Very high94.6Very high8 Ų86.1 Ų6.14%0.0413%0.029CC..Hα-helixtrans-65.4-42176.7-70.9167000111.5S757 H758 L763 I764 R765 W779 L782 L786S757-I761 WeakPolarHBondContact O-CB 3.14Å; S757-I761 VanDerWaalsContact O-CG1 3.26Å; S757-I761 WeakPolarHBondContact O-CG1 3.15Å; S757-I761 PolarHBondContact O-N 2.83Å; H758-I761 PolarHBondContact O-N 2.68Å; I761-L763 VanDerWaalsContact C-N 3.34Å; I761-I764 WeakPolarHBondContact O-CG1 3.46Å; I761-R765 VanDerWaalsContact O-CG 3.31Å; I761-R765 WeakPolarHBondContact O-CG 3.36Å; I761-R765 PolarHBondContact O-N 2.89Å; I761-W779 HydrophobicContact CG2-CZ3 4.19Å; I761-L782 HydrophobicContact CG1-CB 4.31Å; I761-L786 HydrophobicContact CD1-CD1 4.15Å; I761-L786 HydrophobicContact CD1-CD2 3.86Å; I761-L786 HydrophobicContact CD1-CG 3.97Å
762L93.2Very high94.9Very high13 Ų135.1 Ų5.17%0.0682%0.023CC..Hα-helixtrans-63.9-41.8173.8-71.1171.8000111.2M695 T698 Y699 H758 V759 R765 L766 P804M695-L762 HydrophobicContact SD-CD1 4.05Å; T698-L762 HydrophobicContact CG2-CB 3.89Å; T698-L762 HydrophobicContact CG2-CD1 3.95Å; Y699-L762 HydrophobicContact CE1-CD1 4.4Å; Y699-L762 HydrophobicContact CE2-CD1 4.25Å; H758-L762 WeakPolarHBondContact O-CB 2.96Å; H758-L762 WeakPolarHBondContact O-CG 3.06Å; H758-L762 PolarHBondContact O-N 3.33Å; V759-L762 PolarHBondContact O-N 3.47Å; L762-R765 PolarHBondContact O-N 3.39Å; L762-L766 WeakPolarHBondContact O-CB 3.37Å; L762-L766 PolarHBondContact O-N 2.99Å; L762-P804 HydrophobicContact CD2-CB 3.64Å; L762-P804 HydrophobicContact CD2-CG 4.38Å
763L95.8Very high95.1Very high1 Ų15.1 Ų5.11%0.0052%0.023CC..Hα-helixtrans-66-45.1180-175.462.1000112.3W657 Y724 I725 L728 V759 L760 I761 R765 L766 M767W657-L763 HydrophobicContact CZ2-CD2 4.11Å; W657-L763 HydrophobicContact CZ2-CG 4.1Å; Y724-L763 HydrophobicContact CD1-CD1 3.81Å; Y724-L763 HydrophobicContact CD1-CD2 4.22Å; Y724-L763 HydrophobicContact CE1-CD1 3.84Å; Y724-L763 HydrophobicContact CE1-CD2 3.93Å; Y724-L763 HydrophobicContact CE1-CG 4.34Å; I725-L763 HydrophobicContact CG1-CD2 4.23Å; L728-L763 HydrophobicContact CD2-CD2 4.07Å; V759-L763 WeakPolarHBondContact O-CB 3.41Å; V759-L763 PolarHBondContact O-N 2.73Å; L760-L763 PolarHBondContact O-N 3.15Å; I761-L763 VanDerWaalsContact C-N 3.34Å; L763-R765 VanDerWaalsContact C-N 3.3Å; L763-R765 PolarHBondContact O-N 2.83Å; L763-L766 PolarHBondContact O-N 3.2Å; L763-M767 HydrophobicContact CD1-CG 3.79Å; L763-M767 HydrophobicContact CG-CG 4.09Å; L763-M767 VanDerWaalsContact O-CB 3.26Å; L763-M767 WeakPolarHBondContact O-CB 3.39Å; L763-M767 VanDerWaalsContact O-CG 3.29Å; L763-M767 WeakPolarHBondContact O-CG 3.23Å; L763-M767 PolarHBondContact O-N 3.2Å
764I95.9Very high95.3Very high0 Ų05.4 Ų5.40%03%0.025CC..Hα-helixtrans-63.1-38.217860.4-174.7000111.5W657 L760 I761 M767 A768 T775 M778 W779 L782 V798W657-I764 HydrophobicContact CZ2-CG2 3.79Å; L760-I764 WeakPolarHBondContact O-CG1 3.25Å; L760-I764 WeakPolarHBondContact O-CG2 3.45Å; L760-I764 PolarHBondContact O-N 3.25Å; I761-I764 WeakPolarHBondContact O-CG1 3.46Å; I764-M767 PolarHBondContact O-N 3.37Å; I764-A768 WeakPolarHBondContact O-CB 3.34Å; I764-A768 PolarHBondContact O-N 2.87Å; I764-T775 HydrophobicContact CB-CG2 4.22Å; I764-T775 HydrophobicContact CG2-CG2 4.48Å; I764-T775 WeakPolarHBondContact O-CG2 3.31Å; I764-M778 HydrophobicContact CG2-CB 3.99Å; I764-M778 HydrophobicContact CG2-SD 3.96Å; I764-W779 HydrophobicContact CD1-CB 4.25Å; I764-W779 HydrophobicContact CD1-CE3 3.7Å; I764-L782 HydrophobicContact CD1-CD1 4.23Å; I764-V798 HydrophobicContact CG1-CG2 4.44Å
765R95.1Very high95.6Very high39 Ų394.8 Ų4.815%0.1472%0.022CC..Hα-helixtrans-64.1-41.4175-71.3171.765-179.21.7111.7I761 L762 L763 V798 L801 D802I761-R765 VanDerWaalsContact O-CG 3.31Å; I761-R765 WeakPolarHBondContact O-CG 3.36Å; I761-R765 PolarHBondContact O-N 2.89Å; L762-R765 PolarHBondContact O-N 3.39Å; L763-R765 VanDerWaalsContact C-N 3.3Å; L763-R765 PolarHBondContact O-N 2.83Å; R765-V798 HydrophobicContact CG-CG2 4.02Å; R765-L801 HydrophobicContact CG-CD1 4.09Å; R765-D802 PolarHBondContact NE-O 2.74Å; R765-D802 PolarHBondContact NH2-O 3.47Å
766L96.2Very high95.7Very high2 Ų24.6 Ų4.61%0.012%0.021CC..Hα-helixtrans-71-36.6178.3-16966.5000112.9L701 V702 V705 L721 L762 L763 P769 L803L701-L766 HydrophobicContact CD2-CD2 3.83Å; L701-L766 HydrophobicContact CG-CD2 3.89Å; V702-L766 HydrophobicContact CG2-CD1 4.37Å; V702-L766 HydrophobicContact CG2-CD2 4.06Å; V705-L766 HydrophobicContact CB-CD1 4Å; V705-L766 HydrophobicContact CB-CD2 4.38Å; V705-L766 HydrophobicContact CB-CG 4.49Å; V705-L766 HydrophobicContact CG1-CD1 3.78Å; V705-L766 HydrophobicContact CG1-CG 4.3Å; V705-L766 HydrophobicContact CG2-CD2 4.07Å; L721-L766 HydrophobicContact CD2-CD2 3.97Å; L721-L766 HydrophobicContact CD2-CG 4.37Å; L762-L766 WeakPolarHBondContact O-CB 3.37Å; L762-L766 PolarHBondContact O-N 2.99Å; L763-L766 PolarHBondContact O-N 3.2Å; L766-P769 WeakPolarHBondContact O-CD 3.38Å; L766-L803 HydrophobicContact CD1-CD2 4.34Å
767M96.8Very high95.8Very high2 Ų25.8 Ų5.81%0.013%0.026CC..Hα-helixtrans-81.8-15.5-178.7-73.8-70.9-67.800113.4W657 L721 I725 L763 I764 P769 F770 T771 T775W657-M767 HydrophobicContact CH2-CB 3.78Å; W657-M767 HydrophobicContact CH2-CE 4.32Å; W657-M767 HydrophobicContact CH2-CG 3.89Å; W657-M767 HydrophobicContact CZ2-CG 4.43Å; W657-M767 HydrophobicContact CZ3-CE 4.01Å; L721-M767 HydrophobicContact CB-SD 3.87Å; L721-M767 HydrophobicContact CD1-SD 3.7Å; L721-M767 HydrophobicContact CD2-SD 3.76Å; L721-M767 HydrophobicContact CG-SD 3.97Å; I725-M767 HydrophobicContact CD1-CE 4.29Å; L763-M767 HydrophobicContact CD1-CG 3.79Å; L763-M767 HydrophobicContact CG-CG 4.09Å; L763-M767 VanDerWaalsContact O-CB 3.26Å; L763-M767 WeakPolarHBondContact O-CB 3.39Å; L763-M767 VanDerWaalsContact O-CG 3.29Å; L763-M767 WeakPolarHBondContact O-CG 3.23Å; L763-M767 PolarHBondContact O-N 3.2Å; I764-M767 PolarHBondContact O-N 3.37Å; M767-P769 VanDerWaalsContact C-CD 3.46Å; M767-P769 VanDerWaalsContact C-N 3.33Å; M767-F770 PolarHBondContact O-N 2.99Å; M767-T771 HydrophobicContact CE-CG2 3.99Å; M767-T771 PolarHBondContact O-N 3.18Å; M767-T771 PolarHBondContact O-OG1 3.47Å; M767-T775 HydrophobicContact CB-CG2 3.64Å
768A97.2Very high96Very high0 Ų05.8 Ų5.80%03%0.026CC..THydrogen-bonded Turntrans-52.7-38.8-174.800000114.5I764 F770 P772 V798 H799I764-A768 WeakPolarHBondContact O-CB 3.34Å; I764-A768 PolarHBondContact O-N 2.87Å; A768-F770 VanDerWaalsContact C-N 3.3Å; A768-F770 PolarHBondContact O-N 2.93Å; A768-P772 VanDerWaalsContact O-CA 3.31Å; A768-P772 WeakPolarHBondContact O-CA 3.34Å; A768-P772 WeakPolarHBondContact O-CB 3.39Å; A768-V798 HydrophobicContact CB-CG1 4Å; A768-V798 HydrophobicContact CB-CG2 4.29Å; A768-H799 PolarHBondContact O-CE1 3.48Å
769P97.1Very high96.2Very high0 Ų04.6 Ų4.60%02%0.021CC..THydrogen-bonded Turntrans-62.7-33.5173.3-24.935000114.3I67 R70 F71 Q74 R625 L766 M767I67-P769 VanDerWaalsContact CG1-O 3.26Å; I67-P769 WeakPolarHBondContact CG1-O 3.45Å; I67-P769 HydrophobicContact CG2-CB 4.29Å; R70-P769 HydrophobicContact CB-CB 4Å; R70-P769 HydrophobicContact CB-CG 4.42Å; F71-P769 HydrophobicContact CB-CB 4.45Å; F71-P769 HydrophobicContact CB-CG 4.31Å; Q74-P769 VanDerWaalsContact OE1-CG 3.24Å; R625-P769 PolarHBondContact NH2-O 3.35Å; L766-P769 WeakPolarHBondContact O-CD 3.38Å; M767-P769 VanDerWaalsContact C-CD 3.46Å; M767-P769 VanDerWaalsContact C-N 3.33Å
770F96.9Very high96.2Very high0 Ų07.6 Ų7.60%04%0.035CC..THydrogen-bonded Turntrans-88.9-49-170.1-55.6-85.9000112I67 R625 I629 M709 V717 V718 L721 M767 A768 P772I67-F770 HydrophobicContact CD1-CD1 4.03Å; I67-F770 HydrophobicContact CG1-CD1 4.27Å; I67-F770 HydrophobicContact CG2-CD1 3.84Å; I67-F770 HydrophobicContact CG2-CE1 3.56Å; I67-F770 HydrophobicContact CG2-CZ 4.11Å; R625-F770 PolarHBondContact NE-O 3.36Å; R625-F770 VanDerWaalsContact NE-O 3.15Å; I629-F770 HydrophobicContact CD1-CB 4.49Å; I629-F770 HydrophobicContact CD1-CD1 3.82Å; M709-F770 HydrophobicContact CE-CZ 4.43Å; M709-F770 HydrophobicContact CG-CZ 4.4Å; M709-F770 HydrophobicContact SD-CE1 4.29Å; M709-F770 HydrophobicContact SD-CZ 3.93Å; V717-F770 HydrophobicContact CG1-CE1 3.89Å; V717-F770 HydrophobicContact CG1-CE2 4.28Å; V717-F770 HydrophobicContact CG1-CZ 3.52Å; V718-F770 HydrophobicContact CG2-CD1 4.4Å; V718-F770 HydrophobicContact CG2-CE1 4.48Å; L721-F770 HydrophobicContact CD1-CD1 4.48Å; L721-F770 HydrophobicContact CD1-CD2 3.89Å; L721-F770 HydrophobicContact CD1-CE1 4.46Å; L721-F770 HydrophobicContact CD1-CE2 3.87Å; L721-F770 HydrophobicContact CD1-CG 4.22Å; L721-F770 HydrophobicContact CD1-CZ 4.18Å; M767-F770 PolarHBondContact O-N 2.99Å; A768-F770 VanDerWaalsContact C-N 3.3Å; A768-F770 PolarHBondContact O-N 2.93Å; F770-P772 WeakPolarHBondContact O-CD 3.47Å
771T97.4Very high96.1Very high0 Ų07.9 Ų7.90%04%0.037CC..SBendtrans-124.973.3-177.257.70000109.3D622 L626 F654 M767 F773 T775D622-T771 HydrophobicContact CB-CG2 4.19Å; D622-T771 VanDerWaalsContact OD1-C 3.27Å; D622-T771 VanDerWaalsContact OD1-CA 3.26Å; D622-T771 WeakPolarHBondContact OD1-CA 3.26Å; L626-T771 HydrophobicContact CB-CG2 4.48Å; L626-T771 HydrophobicContact CD1-CG2 4.49Å; L626-T771 HydrophobicContact CD2-CG2 4.27Å; F654-T771 HydrophobicContact CE1-CG2 3.74Å; F654-T771 HydrophobicContact CZ-CG2 3.68Å; M767-T771 HydrophobicContact CE-CG2 3.99Å; M767-T771 PolarHBondContact O-N 3.18Å; M767-T771 PolarHBondContact O-OG1 3.47Å; T771-F773 VanDerWaalsContact C-N 3.26Å; T771-F773 PolarHBondContact O-N 2.91Å; T771-T775 WeakPolarHBondContact O-CB 3.28Å; T771-T775 VanDerWaalsContact O-CG2 3.24Å; T771-T775 WeakPolarHBondContact O-CG2 3.47Å; T771-T775 PolarHBondContact O-N 3.19Å; T771-T775 PolarHBondContact O-OG1 2.6Å
772P98.1Very high96.1Very high0 Ų07.5 Ų7.50%04%0.035CC..Hα-helixtrans-67.7-22.6-167.628.7-39.4000114W22 D622 A768 F770 T775 H799W22-P772 HydrophobicContact CH2-CB 3.8Å; W22-P772 HydrophobicContact CH2-CG 4.27Å; W22-P772 HydrophobicContact CZ2-CB 4.3Å; W22-P772 WeakPolarHBondContact CZ2-O 3.26Å; D622-P772 WeakPolarHBondContact OD1-CD 3.25Å; A768-P772 VanDerWaalsContact O-CA 3.31Å; A768-P772 WeakPolarHBondContact O-CA 3.34Å; A768-P772 WeakPolarHBondContact O-CB 3.39Å; F770-P772 WeakPolarHBondContact O-CD 3.47Å; P772-T775 PolarHBondContact O-OG1 3.02Å; P772-H799 VanDerWaalsContact CB-CE1 3.44Å; P772-H799 WeakPolarHBondContact CB-CE1 3.25Å; P772-H799 PolarHBondContact O-NE2 3.05Å
773F98.4Very high95.9Very high1 Ų17.6 Ų7.60%0.0044%0.036CC..Hα-helixtrans-82.5-54.7-176.8-65.6-78000112.8E15 V18 L19 W22 G139 A621 D622 T771 T775 D776 M777E15-F773 HydrophobicContact CB-CB 4.24Å; E15-F773 HydrophobicContact CB-CD1 3.97Å; E15-F773 HydrophobicContact CB-CD2 4.46Å; E15-F773 HydrophobicContact CB-CE1 4.41Å; E15-F773 HydrophobicContact CB-CG 4Å; E15-F773 HydrophobicContact CG-CB 3.58Å; E15-F773 HydrophobicContact CG-CD1 4.19Å; E15-F773 HydrophobicContact CG-CD2 4.01Å; E15-F773 HydrophobicContact CG-CG 3.69Å; V18-F773 HydrophobicContact CB-CD1 4.1Å; V18-F773 HydrophobicContact CG1-CD1 3.91Å; L19-F773 HydrophobicContact CB-CE1 4.18Å; L19-F773 HydrophobicContact CD1-CE1 3.68Å; L19-F773 HydrophobicContact CD1-CZ 3.79Å; W22-F773 HydrophobicContact CE3-CE1 4.23Å; W22-F773 AromaticContact CH2-CD1 3.7Å; W22-F773 HydrophobicContact CH2-CD1 3.7Å; W22-F773 AromaticContact CH2-CE1 3.73Å; W22-F773 HydrophobicContact CH2-CE1 3.73Å; W22-F773 HydrophobicContact CH2-CG 4.19Å; W22-F773 HydrophobicContact CH2-CZ 4.24Å; W22-F773 HydrophobicContact CZ2-CD1 4.32Å; W22-F773 AromaticContact CZ3-CD1 3.98Å; W22-F773 HydrophobicContact CZ3-CD1 3.98Å; W22-F773 AromaticContact CZ3-CE1 3.52Å; W22-F773 HydrophobicContact CZ3-CE1 3.52Å; W22-F773 AromaticContact CZ3-CZ 3.92Å; W22-F773 HydrophobicContact CZ3-CZ 3.92Å; G139-F773 VanDerWaalsContact CA-CZ 3.48Å; A621-F773 HydrophobicContact CB-CD2 4.15Å; A621-F773 HydrophobicContact CB-CE2 3.7Å; D622-F773 WeakPolarHBondContact OD1-CD2 3.36Å; D622-F773 PolarHBondContact OD1-N 2.95Å; D622-F773 WeakPolarHBondContact OD2-CB 3.44Å; D622-F773 PolarHBondContact OD2-N 3.29Å; T771-F773 VanDerWaalsContact C-N 3.26Å; T771-F773 PolarHBondContact O-N 2.91Å; F773-T775 PolarHBondContact O-N 3.49Å; F773-D776 PolarHBondContact O-N 3.14Å; F773-M777 WeakPolarHBondContact O-CB 3.49Å; F773-M777 PolarHBondContact O-N 2.71Å
774I97.3Very high95.5Very high6 Ų610.4 Ų10.43%0.0315%0.048CC..Hα-helixtrans-62.1-34.6-177.8-167.2173000111.5F11 D622 F654 W657 M777 M778F11-I774 HydrophobicContact CD1-CD1 4.29Å; F11-I774 HydrophobicContact CE1-CD1 3.68Å; D622-I774 WeakPolarHBondContact OD2-CG2 3.47Å; D622-I774 PolarHBondContact OD2-N 2.97Å; F654-I774 HydrophobicContact CD1-CD1 3.75Å; F654-I774 HydrophobicContact CD1-CG2 4.38Å; F654-I774 HydrophobicContact CE1-CG2 4.14Å; W657-I774 HydrophobicContact CE3-CD1 4.07Å; W657-I774 HydrophobicContact CE3-CG2 4.3Å; W657-I774 HydrophobicContact CH2-CG2 4.06Å; W657-I774 HydrophobicContact CZ3-CD1 4.36Å; W657-I774 HydrophobicContact CZ3-CG2 3.56Å; I774-M777 HydrophobicContact CG1-CE 3.9Å; I774-M778 HydrophobicContact CD1-CE 3.78Å; I774-M778 HydrophobicContact CG1-CE 3.8Å; I774-M778 HydrophobicContact CG1-SD 4.43Å; I774-M778 WeakPolarHBondContact O-CB 3.38Å; I774-M778 VanDerWaalsContact O-CG 3.31Å; I774-M778 WeakPolarHBondContact O-CG 3.11Å; I774-M778 PolarHBondContact O-N 2.83Å
775T97.6Very high95.1Very high0 Ų010.5 Ų10.50%05%0.049CC..Hα-helixtrans-66.6-42.5178.549.20000111.5W657 I764 M767 T771 P772 F773 M778 W779W657-T775 HydrophobicContact CH2-CG2 3.69Å; W657-T775 HydrophobicContact CZ2-CG2 4.45Å; I764-T775 HydrophobicContact CB-CG2 4.22Å; I764-T775 HydrophobicContact CG2-CG2 4.48Å; I764-T775 WeakPolarHBondContact O-CG2 3.31Å; M767-T775 HydrophobicContact CB-CG2 3.64Å; T771-T775 WeakPolarHBondContact O-CB 3.28Å; T771-T775 VanDerWaalsContact O-CG2 3.24Å; T771-T775 WeakPolarHBondContact O-CG2 3.47Å; T771-T775 PolarHBondContact O-N 3.19Å; T771-T775 PolarHBondContact O-OG1 2.6Å; P772-T775 PolarHBondContact O-OG1 3.02Å; F773-T775 PolarHBondContact O-N 3.49Å; T775-M778 PolarHBondContact O-N 3.16Å; T775-W779 WeakPolarHBondContact O-CB 3.33Å; T775-W779 PolarHBondContact O-N 3.14Å
776D97Very high94.3Very high1 Ų18.9 Ų8.91%0.0054%0.043CC..Hα-helixtrans-75.3-35.3178.3-147.113.8000112V18 W22 F773 M778 W779 Q780 S797 V798 H799V18-D776 HydrophobicContact CG1-CB 4.13Å; W22-D776 HydrophobicContact CZ2-CB 4.35Å; W22-D776 PolarHBondContact NE1-OD2 2.86Å; F773-D776 PolarHBondContact O-N 3.14Å; D776-M778 VanDerWaalsContact C-N 3.34Å; D776-M778 PolarHBondContact O-N 3.03Å; D776-W779 WeakPolarHBondContact O-CB 3.38Å; D776-W779 PolarHBondContact O-N 3.49Å; D776-W779 VanDerWaalsContact O-N 3.16Å; D776-Q780 WeakPolarHBondContact O-CG 3.45Å; D776-Q780 PolarHBondContact O-N 3.25Å; D776-Q780 PolarHBondContact OD1-NE2 3.36Å; D776-S797 VanDerWaalsContact CG-OG 3.24Å; D776-S797 VanDerWaalsContact OD1-CA 3.25Å; D776-S797 WeakPolarHBondContact OD1-CA 3.36Å; D776-S797 PolarHBondContact OD1-OG 2.83Å; D776-S797 WeakPolarHBondContact OD2-CB 3.43Å; D776-S797 PolarHBondContact OD2-OG 3.24Å; D776-V798 HydrophobicContact CB-CG1 3.98Å; D776-V798 PolarHBondContact OD1-N 3.41Å; D776-H799 IonicContact OD2-CD2 3.61Å
777M96.5Very high92.7Very high24 Ų2412.4 Ų12.412%0.1186%0.059CC..Hα-helixtrans-55.4-48.4170-179.2-153.969.600111.1I9 E14 V18 F658 F773 I774I9-M777 HydrophobicContact CD1-CE 4.15Å; I9-M777 HydrophobicContact CD1-SD 3.77Å; E14-M777 HydrophobicContact CB-CG 4.48Å; E14-M777 HydrophobicContact CB-SD 3.83Å; E14-M777 HydrophobicContact CG-SD 3.91Å; V18-M777 HydrophobicContact CG2-CB 3.86Å; F658-M777 HydrophobicContact CD2-CE 4.15Å; F658-M777 HydrophobicContact CE2-CE 4.31Å; F773-M777 WeakPolarHBondContact O-CB 3.49Å; F773-M777 PolarHBondContact O-N 2.71Å; I774-M777 HydrophobicContact CG1-CE 3.9Å
778M96.4Very high90.9Very high0 Ų017.9 Ų17.90%09%0.089CC..Hα-helixtrans-66.3-38.5176.3-71.9178.8-179.400111.7W657 Y661 I764 I774 T775 D776 Q780 N781 L782W657-M778 HydrophobicContact CD2-CE 4.07Å; W657-M778 HydrophobicContact CD2-SD 4.39Å; W657-M778 HydrophobicContact CG-CE 4.15Å; W657-M778 HydrophobicContact CZ2-SD 3.99Å; Y661-M778 HydrophobicContact CD1-CE 4.2Å; Y661-M778 HydrophobicContact CD1-CG 4.1Å; Y661-M778 HydrophobicContact CD2-CG 4.39Å; Y661-M778 HydrophobicContact CE1-CG 4.35Å; Y661-M778 HydrophobicContact CG-CE 4.23Å; Y661-M778 HydrophobicContact CG-CG 4.1Å; Y661-M778 HydrophobicContact CG-SD 4.36Å; I764-M778 HydrophobicContact CG2-CB 3.99Å; I764-M778 HydrophobicContact CG2-SD 3.96Å; I774-M778 HydrophobicContact CD1-CE 3.78Å; I774-M778 HydrophobicContact CG1-CE 3.8Å; I774-M778 HydrophobicContact CG1-SD 4.43Å; I774-M778 WeakPolarHBondContact O-CB 3.38Å; I774-M778 VanDerWaalsContact O-CG 3.31Å; I774-M778 WeakPolarHBondContact O-CG 3.11Å; I774-M778 PolarHBondContact O-N 2.83Å; T775-M778 PolarHBondContact O-N 3.16Å; D776-M778 VanDerWaalsContact C-N 3.34Å; D776-M778 PolarHBondContact O-N 3.03Å; M778-Q780 PolarHBondContact O-N 3.13Å; M778-N781 PolarHBondContact O-N 2.94Å; M778-L782 HydrophobicContact CB-CD1 4.25Å; M778-L782 WeakPolarHBondContact O-CB 3.21Å; M778-L782 WeakPolarHBondContact O-CG 3.42Å; M778-L782 PolarHBondContact O-N 3.31Å
779W95.5Very high89.1Confident0 Ų021.7 Ų21.70%011%0.107CC..Hα-helixtrans-61.1-41.1178.9178.2-102.4000113.1I761 I764 T775 D776 N781 L782 S783 L786 V795 V798 L801I761-W779 HydrophobicContact CG2-CZ3 4.19Å; I764-W779 HydrophobicContact CD1-CB 4.25Å; I764-W779 HydrophobicContact CD1-CE3 3.7Å; T775-W779 WeakPolarHBondContact O-CB 3.33Å; T775-W779 PolarHBondContact O-N 3.14Å; D776-W779 WeakPolarHBondContact O-CB 3.38Å; D776-W779 PolarHBondContact O-N 3.49Å; D776-W779 VanDerWaalsContact O-N 3.16Å; W779-N781 PolarHBondContact O-N 3.33Å; W779-L782 PolarHBondContact O-N 3.03Å; W779-S783 WeakPolarHBondContact O-CB 3.36Å; W779-S783 PolarHBondContact O-N 3.48Å; W779-S783 PolarHBondContact O-OG 2.65Å; W779-L786 HydrophobicContact CH2-CD1 3.84Å; W779-L786 HydrophobicContact CZ3-CD1 4.13Å; W779-V795 HydrophobicContact CZ2-CB 4.12Å; W779-V795 PolarHBondContact NE1-O 2.93Å; W779-V798 HydrophobicContact CB-CB 3.83Å; W779-V798 HydrophobicContact CD2-CB 4.14Å; W779-V798 HydrophobicContact CD2-CG2 4.48Å; W779-V798 HydrophobicContact CE3-CG2 4.48Å; W779-V798 HydrophobicContact CG-CB 3.77Å; W779-L801 HydrophobicContact CD2-CD1 4.4Å; W779-L801 HydrophobicContact CE3-CD1 4.2Å; W779-L801 HydrophobicContact CH2-CD1 3.37Å; W779-L801 HydrophobicContact CZ2-CD1 3.57Å; W779-L801 HydrophobicContact CZ2-CG 4.46Å; W779-L801 HydrophobicContact CZ3-CD1 3.71Å
780Q93.6Very high86.9Confident63 Ų6326.1 Ų26.129%0.29414%0.143SC..Hα-helixtrans-54.4-29.1177.9-66.5-46.5-59.800113L21 D776 M778 K784 P796L21-Q780 VanDerWaalsContact CD2-CD 3.48Å; L21-Q780 HydrophobicContact CD2-CG 3.88Å; D776-Q780 WeakPolarHBondContact O-CG 3.45Å; D776-Q780 PolarHBondContact O-N 3.25Å; D776-Q780 PolarHBondContact OD1-NE2 3.36Å; M778-Q780 PolarHBondContact O-N 3.13Å; Q780-K784 WeakPolarHBondContact O-CE 3.5Å; Q780-P796 PolarHBondContact NE2-O 3.38Å
781N93Very high85.4Confident6 Ų633.1 Ų33.13%0.03218%0.181CC..Hα-helixtrans-97.5-50.7177.1-154.417.4000112.3L2 E3 Y661 M778 W779 S783 K784L2-N781 WeakPolarHBondContact CA-OD1 3.43Å; L2-N781 HydrophobicContact CD2-CB 4.49Å; L2-N781 WeakPolarHBondContact CD2-O 3.33Å; L2-N781 WeakPolarHBondContact CD2-OD1 3.21Å; E3-N781 PolarHBondContact N-OD1 3.43Å; E3-N781 PolarHBondContact O-ND2 3.46Å; Y661-N781 HydrophobicContact CE2-CB 4.44Å; Y661-N781 WeakPolarHBondContact OH-CB 3.4Å; Y661-N781 PolarHBondContact OH-ND2 3.28Å; M778-N781 PolarHBondContact O-N 2.94Å; W779-N781 PolarHBondContact O-N 3.33Å; N781-S783 VanDerWaalsContact C-N 3.3Å; N781-S783 PolarHBondContact O-N 3.27Å; N781-K784 WeakPolarHBondContact O-CB 3.45Å; N781-K784 WeakPolarHBondContact O-CG 3.45Å; N781-K784 PolarHBondContact O-N 3.04Å; N781-K784 VanDerWaalsContact O-N 3.15Å
782L92.4Very high84Confident0 Ų034.1 Ų34.10%019%0.186CC..Hα-helixtrans-66.4-27.8-173.6-69.5179.8000113.7Y661 L664 L760 I761 I764 M778 W779 K784 L785Y661-L782 HydrophobicContact CD2-CD1 3.98Å; Y661-L782 HydrophobicContact CD2-CD2 3.86Å; Y661-L782 HydrophobicContact CD2-CG 3.94Å; Y661-L782 HydrophobicContact CE2-CD1 4.29Å; Y661-L782 HydrophobicContact CE2-CD2 3.79Å; Y661-L782 HydrophobicContact CE2-CG 3.78Å; L664-L782 HydrophobicContact CD2-CD2 3.84Å; L760-L782 HydrophobicContact CB-CD1 4.11Å; I761-L782 HydrophobicContact CG1-CB 4.31Å; I764-L782 HydrophobicContact CD1-CD1 4.23Å; M778-L782 HydrophobicContact CB-CD1 4.25Å; M778-L782 WeakPolarHBondContact O-CB 3.21Å; M778-L782 WeakPolarHBondContact O-CG 3.42Å; M778-L782 PolarHBondContact O-N 3.31Å; W779-L782 PolarHBondContact O-N 3.03Å; L782-K784 PolarHBondContact O-N 2.9Å; L782-K784 VanDerWaalsContact O-N 3.17Å; L782-L785 HydrophobicContact CD2-CD1 4.05Å; L782-L785 WeakPolarHBondContact O-CB 3.14Å; L782-L785 PolarHBondContact O-N 3.1Å
783S89.5Confident82.5Confident15 Ų1538.6 Ų38.611%0.10521%0.207CC..G310 helixtrans-57.8-27.4174.655.60000112.8W779 N781 L785 L786W779-S783 WeakPolarHBondContact O-CB 3.36Å; W779-S783 PolarHBondContact O-N 3.48Å; W779-S783 PolarHBondContact O-OG 2.65Å; N781-S783 VanDerWaalsContact C-N 3.3Å; N781-S783 PolarHBondContact O-N 3.27Å; S783-L785 PolarHBondContact O-N 2.85Å; S783-L785 VanDerWaalsContact O-N 3.15Å; S783-L786 PolarHBondContact O-N 3.29Å
784K87.7Confident81.4Confident60 Ų6041.8 Ų41.826%0.26124%0.239SC..G310 helixtrans-69.5-6.8177.3-55.3174.3-1751670113.6M1 E3 Q780 N781 L782 H787M1-K784 WeakPolarHBondContact O-CD 3.21Å; E3-K784 IonicContact OE1-NZ 3.51Å; E3-K784 PolarHBondContact OE1-NZ 2.77Å; Q780-K784 WeakPolarHBondContact O-CE 3.5Å; N781-K784 WeakPolarHBondContact O-CB 3.45Å; N781-K784 WeakPolarHBondContact O-CG 3.45Å; N781-K784 PolarHBondContact O-N 3.04Å; N781-K784 VanDerWaalsContact O-N 3.15Å; L782-K784 PolarHBondContact O-N 2.9Å; L782-K784 VanDerWaalsContact O-N 3.17Å; K784-H787 PolarHBondContact O-CE1 3.25Å; K784-H787 PolarHBondContact O-NE2 2.94Å; K784-H787 VanDerWaalsContact O-NE2 3.07Å
785L86.6Confident80.9Confident2 Ų242.1 Ų42.11%0.0124%0.242CC..G310 helixtrans-88.6-11.9175-62.8-176.5000113.3L2 L664 V668 F679 A681 S757 L782 S783 H787L2-L785 HydrophobicContact CD1-CD1 4.29Å; L2-L785 HydrophobicContact CD1-CD2 3.69Å; L2-L785 HydrophobicContact CD1-CG 4.27Å; L2-L785 HydrophobicContact CD2-CD1 4.47Å; L2-L785 HydrophobicContact CD2-CD2 3.96Å; L2-L785 HydrophobicContact CD2-CG 3.98Å; L2-L785 HydrophobicContact CG-CD2 3.77Å; L2-L785 HydrophobicContact CG-CG 4.34Å; L664-L785 HydrophobicContact CD2-CD1 4.4Å; V668-L785 HydrophobicContact CG1-CD2 4.28Å; F679-L785 HydrophobicContact CD1-CD2 3.92Å; F679-L785 HydrophobicContact CE1-CD2 4.46Å; A681-L785 PolarHBondContact N-O 2.7Å; S757-L785 WeakPolarHBondContact OG-CD1 3.46Å; L782-L785 HydrophobicContact CD2-CD1 4.05Å; L782-L785 WeakPolarHBondContact O-CB 3.14Å; L782-L785 PolarHBondContact O-N 3.1Å; S783-L785 PolarHBondContact O-N 2.85Å; S783-L785 VanDerWaalsContact O-N 3.15Å; L785-H787 PolarHBondContact O-N 3.09Å
786L79Confident80.6Confident4 Ų444.8 Ų44.82%0.02126%0.259CS..  trans-93.790.6-179.5-61169.1000108.2I761 W779 S783 L792 E793I761-L786 HydrophobicContact CD1-CD1 4.15Å; I761-L786 HydrophobicContact CD1-CD2 3.86Å; I761-L786 HydrophobicContact CD1-CG 3.97Å; W779-L786 HydrophobicContact CH2-CD1 3.84Å; W779-L786 HydrophobicContact CZ3-CD1 4.13Å; S783-L786 PolarHBondContact O-N 3.29Å; L786-L792 HydrophobicContact CD1-CB 3.89Å; L786-L792 HydrophobicContact CD1-CD1 4.01Å; L786-E793 WeakPolarHBondContact O-CG 3.43Å
787H63.4Low80.5Confident76 Ų7644.7 Ų44.735%0.35226%0.259SS..SBendtrans-101.23-175.1-81.6-49.2000115.2A680 K784 L785 E793A680-H787 HydrophobicContact CB-CB 3.98Å; K784-H787 PolarHBondContact O-CE1 3.25Å; K784-H787 PolarHBondContact O-NE2 2.94Å; K784-H787 VanDerWaalsContact O-NE2 3.07Å; L785-H787 PolarHBondContact O-N 3.09Å; H787-E793 IonicContact ND1-OE1 3.83Å; H787-E793 PolarHBondContact ND1-OE1 2.93Å; H787-E793 VanDerWaalsContact ND1-OE1 3.15Å
788D59Low80.5Confident118 Ų11843.6 Ų43.663%0.63125%0.253SS*.SBendtrans-144.72.8-179.3-75-48.4000113.1K682 A790K682-D788 VanDerWaalsContact CE-OD2 3.29Å; K682-D788 WeakPolarHBondContact CE-OD2 3.33Å; K682-D788 IonicContact NZ-OD2 2.77Å; K682-D788 PolarHBondContact NZ-OD2 3.45Å; D788-A790 PolarHBondContact O-N 2.74Å
789E59.2Low80.5Confident80 Ų8043.7 Ų43.737%0.37425%0.254SS..  trans-90.688.5172.9-74-166162.500109.1D791 L792 E793E789-D791 PolarHBondContact O-N 3.01Å; E789-L792 HydrophobicContact CB-CB 4.29Å; E789-L792 HydrophobicContact CB-CG 4.47Å; E789-L792 PolarHBondContact O-N 3.15Å; E789-L792 WeakPolarHBondContact OE2-CD1 3.18Å; E789-E793 PolarHBondContact O-N 2.74Å
790A51.6Low80.4Confident92 Ų9244.3 Ų44.376%0.7626%0.256SS*.THydrogen-bonded Turntrans-49.6-27.8-174.100000114.5D788D788-A790 PolarHBondContact O-N 2.74Å
791D64.1Low80.4Confident148 Ų14841.8 Ų41.879%0.79125%0.245SC*.THydrogen-bonded Turntrans-84.8-20-179.2-63.3-27.8000114E789E789-D791 PolarHBondContact O-N 3.01Å
792L69.3Low80.3Confident20 Ų2044.8 Ų44.811%0.10526%0.26CS..THydrogen-bonded Turntrans-109.7-24.9-175.3-59.7-166.5000113.5L786 E789 G794 V795 L801L786-L792 HydrophobicContact CD1-CB 3.89Å; L786-L792 HydrophobicContact CD1-CD1 4.01Å; E789-L792 HydrophobicContact CB-CB 4.29Å; E789-L792 HydrophobicContact CB-CG 4.47Å; E789-L792 PolarHBondContact O-N 3.15Å; E789-L792 WeakPolarHBondContact OE2-CD1 3.18Å; L792-G794 PolarHBondContact O-N 3.4Å; L792-V795 WeakPolarHBondContact O-CG2 3.41Å; L792-V795 PolarHBondContact O-N 3.21Å; L792-L801 HydrophobicContact CD2-CD1 4.25Å; L792-L801 HydrophobicContact CD2-CD2 3.51Å; L792-L801 HydrophobicContact CD2-CG 4.44Å
793E66.3Low80.3Confident95 Ų9545 Ų4544%0.44426%0.262SS..THydrogen-bonded Turntrans-64.2130.1-178.9-167.1169.6-157.800111.1L786 H787 E789 V795L786-E793 WeakPolarHBondContact O-CG 3.43Å; H787-E793 IonicContact ND1-OE1 3.83Å; H787-E793 PolarHBondContact ND1-OE1 2.93Å; H787-E793 VanDerWaalsContact ND1-OE1 3.15Å; E789-E793 PolarHBondContact O-N 2.74Å; E793-V795 VanDerWaalsContact C-N 3.29Å; E793-V795 PolarHBondContact O-N 2.95Å
794G74.3Confident80.4Confident67 Ų6744.4 Ų44.469%0.69126%0.258SS*.THydrogen-bonded Turntrans75.86178.200000115.8L792 P796L792-G794 PolarHBondContact O-N 3.4Å; G794-P796 VanDerWaalsContact O-CD 3.26Å; G794-P796 WeakPolarHBondContact O-CD 3.31Å
795V87.5Confident80.5Confident14 Ų1447.7 Ų47.79%0.08528%0.277CS..  trans-67.4119.8175.8179.10000110W779 L792 E793 S797 Y800 L801W779-V795 HydrophobicContact CZ2-CB 4.12Å; W779-V795 PolarHBondContact NE1-O 2.93Å; L792-V795 WeakPolarHBondContact O-CG2 3.41Å; L792-V795 PolarHBondContact O-N 3.21Å; E793-V795 VanDerWaalsContact C-N 3.29Å; E793-V795 PolarHBondContact O-N 2.95Å; V795-S797 VanDerWaalsContact C-N 3.3Å; V795-S797 WeakPolarHBondContact CG1-O 3.49Å; V795-S797 PolarHBondContact O-N 3.23Å; V795-Y800 HydrophobicContact CG1-CD2 3.96Å; V795-Y800 HydrophobicContact CG1-CG 4.38Å; V795-L801 HydrophobicContact CB-CD2 4.16Å; V795-L801 HydrophobicContact CG1-CD2 3.81Å; V795-L801 HydrophobicContact CG1-CG 4.3Å; V795-L801 HydrophobicContact CG2-CD2 4.03Å
796P91.5Very high80.7Confident55 Ų5549.1 Ų49.136%0.35729%0.286SS..SBendtrans-71.2-15.1-168.7-22.132.5000116.3L25 Q780 G794 Y800L25-P796 HydrophobicContact CD1-CB 3.74Å; Q780-P796 PolarHBondContact NE2-O 3.38Å; G794-P796 VanDerWaalsContact O-CD 3.26Å; G794-P796 WeakPolarHBondContact O-CD 3.31Å; P796-Y800 HydrophobicContact CB-CE2 4.15Å; P796-Y800 HydrophobicContact CG-CE2 4.22Å
797S95Very high81.1Confident0 Ų051.8 Ų51.80%030%0.3CS..  trans-150.8141.7-178178.40000110.7D776 V795 H799 Y800D776-S797 VanDerWaalsContact CG-OG 3.24Å; D776-S797 VanDerWaalsContact OD1-CA 3.25Å; D776-S797 WeakPolarHBondContact OD1-CA 3.36Å; D776-S797 PolarHBondContact OD1-OG 2.83Å; D776-S797 WeakPolarHBondContact OD2-CB 3.43Å; D776-S797 PolarHBondContact OD2-OG 3.24Å; V795-S797 VanDerWaalsContact C-N 3.3Å; V795-S797 WeakPolarHBondContact CG1-O 3.49Å; V795-S797 PolarHBondContact O-N 3.23Å; S797-H799 PolarHBondContact O-N 2.94Å; S797-H799 VanDerWaalsContact O-N 3.17Å; S797-H799 PolarHBondContact OG-CD2 3.19Å; S797-H799 PolarHBondContact OG-N 3.31Å; S797-Y800 WeakPolarHBondContact O-CB 3.46Å; S797-Y800 PolarHBondContact O-N 3.35Å; S797-Y800 VanDerWaalsContact O-N 3.11Å
798V95.2Very high82.4Confident0 Ų054.2 Ų54.20%031%0.312CS..G310 helixtrans-59-28.8175.769.40000111.7I764 R765 A768 D776 W779 Y800 L801I764-V798 HydrophobicContact CG1-CG2 4.44Å; R765-V798 HydrophobicContact CG-CG2 4.02Å; A768-V798 HydrophobicContact CB-CG1 4Å; A768-V798 HydrophobicContact CB-CG2 4.29Å; D776-V798 HydrophobicContact CB-CG1 3.98Å; D776-V798 PolarHBondContact OD1-N 3.41Å; W779-V798 HydrophobicContact CB-CB 3.83Å; W779-V798 HydrophobicContact CD2-CB 4.14Å; W779-V798 HydrophobicContact CD2-CG2 4.48Å; W779-V798 HydrophobicContact CE3-CG2 4.48Å; W779-V798 HydrophobicContact CG-CB 3.77Å; V798-Y800 PolarHBondContact O-N 3.34Å; V798-L801 WeakPolarHBondContact O-CB 3.45Å; V798-L801 PolarHBondContact O-N 2.85Å
799H96.4Very high83.9Confident3 Ų352.1 Ų52.11%0.01431%0.306CS..G310 helixtrans-72.8-6.8-178.2-62.8-67.7000113.6W22 R70 Y73 W141 A768 P772 D776 S797W22-H799 AromaticContact CZ2-CD2 3.83Å; W22-H799 AromaticContact CZ2-NE2 3.5Å; W22-H799 WeakPolarHBondContact CZ2-NE2 3.31Å; R70-H799 PolarHBondContact NH1-CE1 2.84Å; R70-H799 PolarHBondContact NH1-ND1 2.85Å; R70-H799 VanDerWaalsContact NH1-ND1 3.18Å; Y73-H799 WeakPolarHBondContact CE1-O 3.4Å; W141-H799 HydrophobicContact CH2-CB 3.28Å; W141-H799 AromaticContact CH2-CD2 3.68Å; W141-H799 AromaticContact CH2-CG 3.39Å; W141-H799 HydrophobicContact CZ2-CB 4.4Å; W141-H799 HydrophobicContact CZ3-CB 3.67Å; W141-H799 AromaticContact CZ3-CG 3.97Å; A768-H799 PolarHBondContact O-CE1 3.48Å; P772-H799 VanDerWaalsContact CB-CE1 3.44Å; P772-H799 WeakPolarHBondContact CB-CE1 3.25Å; P772-H799 PolarHBondContact O-NE2 3.05Å; D776-H799 IonicContact OD2-CD2 3.61Å; S797-H799 PolarHBondContact O-N 2.94Å; S797-H799 VanDerWaalsContact O-N 3.17Å; S797-H799 PolarHBondContact OG-CD2 3.19Å; S797-H799 PolarHBondContact OG-N 3.31Å
800Y94.6Very high85.3Confident13 Ų1349.1 Ų49.15%0.05129%0.293CS..G310 helixtrans-86.1-11.5169.8-65.4-27.2000113.4V27 N30 C31 R34 V795 P796 S797 V798V27-Y800 WeakPolarHBondContact CA-OH 3.47Å; V27-Y800 HydrophobicContact CB-CE1 4.38Å; V27-Y800 HydrophobicContact CG1-CD1 4.34Å; V27-Y800 HydrophobicContact CG1-CE1 3.58Å; N30-Y800 HydrophobicContact CB-CE1 4.03Å; N30-Y800 WeakPolarHBondContact CB-OH 3.17Å; C31-Y800 VanDerWaalsContact SG-CD1 3.54Å; R34-Y800 PolarHBondContact NH1-O 3.01Å; V795-Y800 HydrophobicContact CG1-CD2 3.96Å; V795-Y800 HydrophobicContact CG1-CG 4.38Å; P796-Y800 HydrophobicContact CB-CE2 4.15Å; P796-Y800 HydrophobicContact CG-CE2 4.22Å; S797-Y800 WeakPolarHBondContact O-CB 3.46Å; S797-Y800 PolarHBondContact O-N 3.35Å; S797-Y800 VanDerWaalsContact O-N 3.11Å; V798-Y800 PolarHBondContact O-N 3.34Å
801L92.4Very high87.2Confident10 Ų1046.5 Ų46.55%0.05227%0.267CS..SBendtrans-90.4141.2-176.5-57.2179.9000111Q74 R765 W779 L792 V795 V798Q74-L801 WeakPolarHBondContact CG-O 3.41Å; Q74-L801 PolarHBondContact NE2-O 3.13Å; R765-L801 HydrophobicContact CG-CD1 4.09Å; W779-L801 HydrophobicContact CD2-CD1 4.4Å; W779-L801 HydrophobicContact CE3-CD1 4.2Å; W779-L801 HydrophobicContact CH2-CD1 3.37Å; W779-L801 HydrophobicContact CZ2-CD1 3.57Å; W779-L801 HydrophobicContact CZ2-CG 4.46Å; W779-L801 HydrophobicContact CZ3-CD1 3.71Å; L792-L801 HydrophobicContact CD2-CD1 4.25Å; L792-L801 HydrophobicContact CD2-CD2 3.51Å; L792-L801 HydrophobicContact CD2-CG 4.44Å; V795-L801 HydrophobicContact CB-CD2 4.16Å; V795-L801 HydrophobicContact CG1-CD2 3.81Å; V795-L801 HydrophobicContact CG1-CG 4.3Å; V795-L801 HydrophobicContact CG2-CD2 4.03Å; V798-L801 WeakPolarHBondContact O-CB 3.45Å; V798-L801 PolarHBondContact O-N 2.85Å
802D92.2Very high88.6Confident68 Ų6841.2 Ų41.236%0.36424%0.239SC..PPolyproline II helixtrans-69.6157.1170.3-60.2-36000110.3R38 Q74 R765R38-D802 IonicContact CZ-OD1 3.31Å; R38-D802 IonicContact NH1-OD1 2.81Å; R38-D802 PolarHBondContact NH1-OD1 3.28Å; R38-D802 IonicContact NH2-OD1 3.28Å; R38-D802 PolarHBondContact NH2-OD1 3.36Å; R38-D802 IonicContact NH2-OD2 2.68Å; Q74-D802 CarbonylContact O-C 3.6Å; Q74-D802 VanDerWaalsContact O-CA 3.25Å; Q74-D802 WeakPolarHBondContact O-CA 3.38Å; Q74-D802 WeakPolarHBondContact O-CB 3.39Å; R765-D802 PolarHBondContact NE-O 2.74Å; R765-D802 PolarHBondContact NH2-O 3.47Å
803L92.3Very high89.7Confident5 Ų545.1 Ų45.13%0.02626%0.264CS..PPolyproline II helixtrans-61.5143.7176-77.5166.1000110.4F71 Q74 D75 L766 L805F71-L803 HydrophobicContact CD1-CD1 4.49Å; F71-L803 HydrophobicContact CD2-CD1 3.48Å; F71-L803 VanDerWaalsContact CD2-CD1 3.48Å; F71-L803 HydrophobicContact CE1-CD1 4.32Å; F71-L803 HydrophobicContact CE2-CD1 3.28Å; F71-L803 HydrophobicContact CG-CD1 4.09Å; F71-L803 HydrophobicContact CZ-CD1 3.72Å; Q74-L803 HydrophobicContact CB-CD1 4.28Å; Q74-L803 HydrophobicContact CB-CD2 4.47Å; Q74-L803 HydrophobicContact CB-CG 3.71Å; Q74-L803 PolarHBondContact O-N 3Å; D75-L803 HydrophobicContact CB-CD1 4.3Å; L766-L803 HydrophobicContact CD1-CD2 4.34Å; L803-L805 PolarHBondContact O-N 3.49Å
804P90.7Very high90.9Very high3 Ų345.5 Ų45.52%0.01927%0.265CS..PPolyproline II helixtrans-57.1136.2176.323.7-32000110.7V702 R706 L762V702-P804 HydrophobicContact CG1-CB 4.27Å; V702-P804 HydrophobicContact CG1-CG 3.97Å; V702-P804 VanDerWaalsContact CG1-O 3.27Å; V702-P804 WeakPolarHBondContact CG1-O 3.34Å; V702-P804 HydrophobicContact CG2-CB 4.35Å; V702-P804 HydrophobicContact CG2-CG 3.79Å; R706-P804 PolarHBondContact NH1-O 3.01Å; L762-P804 HydrophobicContact CD2-CB 3.64Å; L762-P804 HydrophobicContact CD2-CG 4.38Å
805L90.1Very high91.8Very high129 Ų12942.3 Ų42.368%0.67523%0.233SC*.PPolyproline II helixtrans-84.7145.6169.6-66.1175.9000109Y699 L803 N807Y699-L805 WeakPolarHBondContact CE1-O 3.38Å; L803-L805 PolarHBondContact O-N 3.49Å; L805-N807 PolarHBondContact O-N 3.13Å
806V90.8Very high92.2Very high32 Ų3243.4 Ų43.419%0.19424%0.237CC..PPolyproline II helixtrans-72.5116.3-179.7-176.80000109V702 D703 Q808 V811V702-V806 HydrophobicContact CB-CG2 4.45Å; V702-V806 HydrophobicContact CG1-CG2 3.93Å; D703-V806 HydrophobicContact CB-CG1 4.29Å; D703-V806 HydrophobicContact CB-CG2 3.64Å; V806-Q808 PolarHBondContact O-N 2.94Å; V806-V811 HydrophobicContact CG1-CG2 4.18Å
807N87.8Confident92.2Very high59 Ų5944.7 Ų44.732%0.31624%0.241SC..  trans-8595.2170.4-173.1-20.5000109.8Y699 L805 S809 L810Y699-N807 HydrophobicContact CD1-CB 4.32Å; Y699-N807 HydrophobicContact CE1-CB 3.85Å; Y699-N807 HydrophobicContact CE2-CB 4.18Å; L805-N807 PolarHBondContact O-N 3.13Å; N807-S809 PolarHBondContact O-N 3.13Å; N807-S809 VanDerWaalsContact O-N 3.12Å; N807-S809 WeakPolarHBondContact OD1-CB 3.23Å; N807-S809 PolarHBondContact OD1-N 3.08Å; N807-S809 VanDerWaalsContact OD1-N 3.09Å; N807-S809 PolarHBondContact OD1-OG 2.91Å; N807-L810 HydrophobicContact CB-CD1 4.12Å; N807-L810 HydrophobicContact CB-CG 4.4Å; N807-L810 PolarHBondContact O-N 3.04Å
808Q89.4Confident92.2Very high127 Ų12746.1 Ų46.159%0.59325%0.246SC*.G310 helixtrans-58.6-25.2-178-66.7-65.9-11.600113.8V806 L810 V811V806-Q808 PolarHBondContact O-N 2.94Å; Q808-L810 PolarHBondContact O-N 2.66Å; Q808-V811 PolarHBondContact O-N 3.49Å
809S90.7Very high92.1Very high74 Ų7446.1 Ų46.152%0.51725%0.246SC..G310 helixtrans-72.7-15.8178.276.20000114.2N807N807-S809 PolarHBondContact O-N 3.13Å; N807-S809 VanDerWaalsContact O-N 3.12Å; N807-S809 WeakPolarHBondContact OD1-CB 3.23Å; N807-S809 PolarHBondContact OD1-N 3.08Å; N807-S809 VanDerWaalsContact OD1-N 3.09Å; N807-S809 PolarHBondContact OD1-OG 2.91Å
810L89.4Confident92Very high17 Ų1748 Ų489%0.08926%0.26CS..G310 helixtrans-101.9-7.6179.2-62.8175.6000112.2I684 R685 M695 S696 Y699 N807 Q808 D812I684-L810 HydrophobicContact CG2-CD1 3.71Å; R685-L810 HydrophobicContact CG-CD2 4.21Å; M695-L810 HydrophobicContact CG-CB 4.47Å; M695-L810 HydrophobicContact CG-CD1 4.28Å; S696-L810 WeakPolarHBondContact CA-O 3.46Å; S696-L810 WeakPolarHBondContact CB-O 3.3Å; Y699-L810 HydrophobicContact CD2-CB 3.92Å; Y699-L810 HydrophobicContact CD2-CD1 4.29Å; Y699-L810 HydrophobicContact CE2-CB 4.01Å; Y699-L810 HydrophobicContact CE2-CD1 3.51Å; Y699-L810 HydrophobicContact CE2-CG 4.41Å; N807-L810 HydrophobicContact CB-CD1 4.12Å; N807-L810 HydrophobicContact CB-CG 4.4Å; N807-L810 PolarHBondContact O-N 3.04Å; Q808-L810 PolarHBondContact O-N 2.66Å; L810-D812 PolarHBondContact O-N 3.31Å
811V91.6Very high92Very high37 Ų3748 Ų4822%0.22426%0.261CS..  trans-80.5116.5172.8-179.30000108.5V806 Q808 T813V806-V811 HydrophobicContact CG1-CG2 4.18Å; Q808-V811 PolarHBondContact O-N 3.49Å; V811-T813 HydrophobicContact CG1-CG2 4.36Å
812D93.2Very high92.1Very high37 Ų3747.6 Ų47.620%0.19826%0.258CS..  trans-127.989.6-179.5-170.5-30.8000109.7R692 S696 L810 E814 V815 E816R692-D812 IonicContact CZ-OD2 3.67Å; R692-D812 IonicContact NE-OD2 3.3Å; R692-D812 IonicContact NH2-OD2 3.54Å; R692-D812 PolarHBondContact NH2-OD2 3.39Å; S696-D812 PolarHBondContact OG-N 3.08Å; S696-D812 PolarHBondContact OG-O 2.84Å; L810-D812 PolarHBondContact O-N 3.31Å; D812-E814 PolarHBondContact O-N 3.22Å; D812-E814 WeakPolarHBondContact OD1-CB 3.35Å; D812-E814 PolarHBondContact OD1-N 3.46Å; D812-E814 VanDerWaalsContact OD1-N 3.13Å; D812-V815 HydrophobicContact CB-CB 4.11Å; D812-V815 HydrophobicContact CB-CG2 4.05Å; D812-V815 PolarHBondContact O-N 3.07Å; D812-V815 WeakPolarHBondContact OD1-CG2 3.39Å; D812-V815 PolarHBondContact OD1-N 3.12Å; D812-V815 WeakPolarHBondContact OD2-CG2 3.42Å; D812-E816 PolarHBondContact O-N 3.29Å
813T91.8Very high92.2Very high103 Ų10345.7 Ų45.763%0.63225%0.247SC*.Hα-helixtrans-64.5-25.1-179.452.70000112.9V811 N817V811-T813 HydrophobicContact CG1-CG2 4.36Å; T813-N817 WeakPolarHBondContact O-CB 3.43Å; T813-N817 PolarHBondContact O-N 3.39Å
814E92.3Very high92.3Very high102 Ų10249.2 Ų49.248%0.47726%0.263SS..Hα-helixtrans-71.9-45.4178-171.6-175168.900110.5D812 E816 N817 R818D812-E814 PolarHBondContact O-N 3.22Å; D812-E814 WeakPolarHBondContact OD1-CB 3.35Å; D812-E814 PolarHBondContact OD1-N 3.46Å; D812-E814 VanDerWaalsContact OD1-N 3.13Å; E814-E816 VanDerWaalsContact C-N 3.34Å; E814-E816 PolarHBondContact O-N 2.91Å; E814-N817 PolarHBondContact O-N 3.11Å; E814-R818 WeakPolarHBondContact O-CB 3.28Å; E814-R818 PolarHBondContact O-N 2.94Å
815V93.8Very high92.6Very high1 Ų149.1 Ų49.11%0.00626%0.262CS..Hα-helixtrans-60.5-44.2173.1173.70000110.6V689 W693 D812 N817 R818 V819V689-V815 HydrophobicContact CG2-CG1 4.28Å; W693-V815 HydrophobicContact CB-CG1 3.46Å; W693-V815 VanDerWaalsContact CB-CG1 3.46Å; W693-V815 HydrophobicContact CG-CG1 4.3Å; D812-V815 HydrophobicContact CB-CB 4.11Å; D812-V815 HydrophobicContact CB-CG2 4.05Å; D812-V815 PolarHBondContact O-N 3.07Å; D812-V815 WeakPolarHBondContact OD1-CG2 3.39Å; D812-V815 PolarHBondContact OD1-N 3.12Å; D812-V815 WeakPolarHBondContact OD2-CG2 3.42Å; V815-N817 PolarHBondContact O-N 2.93Å; V815-R818 PolarHBondContact O-N 2.89Å; V815-V819 WeakPolarHBondContact O-CG2 3.44Å; V815-V819 PolarHBondContact O-N 3.41Å
816E94.3Very high92.8Very high36 Ų3643 Ų4317%0.16823%0.229CC..Hα-helixtrans-58.3-46.7176.2-73.4-177.9-168.300112.5S696 Y697 S700 D812 E814 V819 S820S696-E816 WeakPolarHBondContact CB-OE1 3.47Å; S696-E816 PolarHBondContact OG-OE1 3.29Å; Y697-E816 VanDerWaalsContact CA-OE1 3.3Å; Y697-E816 WeakPolarHBondContact CA-OE1 3.3Å; Y697-E816 PolarHBondContact N-OE1 3.22Å; Y697-E816 VanDerWaalsContact N-OE1 3.16Å; S700-E816 WeakPolarHBondContact CB-OE1 3.38Å; S700-E816 PolarHBondContact OG-OE1 3.47Å; D812-E816 PolarHBondContact O-N 3.29Å; E814-E816 VanDerWaalsContact C-N 3.34Å; E814-E816 PolarHBondContact O-N 2.91Å; E816-V819 PolarHBondContact O-N 2.79Å; E816-S820 WeakPolarHBondContact O-CB 3.4Å; E816-S820 PolarHBondContact O-N 2.69Å
817N92.9Very high93Very high83 Ų8346.1 Ų46.144%0.44424%0.242SC..Hα-helixtrans-62.8-44.3177.8-172.240.2000111.6T813 E814 V815 V819 S820 I821T813-N817 WeakPolarHBondContact O-CB 3.43Å; T813-N817 PolarHBondContact O-N 3.39Å; E814-N817 PolarHBondContact O-N 3.11Å; V815-N817 PolarHBondContact O-N 2.93Å; N817-V819 PolarHBondContact O-N 3.41Å; N817-S820 WeakPolarHBondContact O-CB 3.39Å; N817-S820 PolarHBondContact O-N 2.66Å; N817-I821 WeakPolarHBondContact O-CG1 3.19Å; N817-I821 PolarHBondContact O-N 2.88Å
818R93.6Very high93.4Very high30 Ų3044 Ų4411%0.11323%0.23CC..Hα-helixtrans-59.8-44.1177.9-179.6171.654.5-144.6-6.4112.2E814 V815 I821 M822 Q859 M863E814-R818 WeakPolarHBondContact O-CB 3.28Å; E814-R818 PolarHBondContact O-N 2.94Å; V815-R818 PolarHBondContact O-N 2.89Å; R818-I821 PolarHBondContact O-N 3.45Å; R818-M822 PolarHBondContact O-N 3.03Å; R818-Q859 HydrophobicContact CB-CB 4.3Å; R818-Q859 HydrophobicContact CB-CG 4.24Å; R818-Q859 HydrophobicContact CG-CB 3.93Å; R818-Q859 HydrophobicContact CG-CG 4.22Å; R818-M863 HydrophobicContact CB-CE 4.44Å; R818-M863 HydrophobicContact CG-CE 3.62Å; R818-M863 HydrophobicContact CG-CG 3.6Å; R818-M863 HydrophobicContact CG-SD 4.48Å; R818-M863 VanDerWaalsContact NE-CE 3.26Å
819V94.7Very high93.6Very high0 Ų037.9 Ų37.90%020%0.202CC..Hα-helixtrans-70-36.2176.1176.60000111.5M690 W693 V815 E816 N817 I821 M822 Q823 M863M690-V819 HydrophobicContact SD-CG2 4.27Å; W693-V819 HydrophobicContact CB-CG2 3.86Å; W693-V819 HydrophobicContact CD2-CB 3.97Å; W693-V819 HydrophobicContact CD2-CG1 3.59Å; W693-V819 HydrophobicContact CD2-CG2 3.95Å; W693-V819 HydrophobicContact CE3-CG1 4.07Å; W693-V819 HydrophobicContact CG-CB 3.84Å; W693-V819 HydrophobicContact CG-CG1 4.02Å; W693-V819 HydrophobicContact CG-CG2 3.53Å; W693-V819 HydrophobicContact CH2-CG1 4.04Å; W693-V819 HydrophobicContact CZ2-CG1 3.6Å; W693-V819 HydrophobicContact CZ3-CG1 4.26Å; V815-V819 WeakPolarHBondContact O-CG2 3.44Å; V815-V819 PolarHBondContact O-N 3.41Å; E816-V819 PolarHBondContact O-N 2.79Å; N817-V819 PolarHBondContact O-N 3.41Å; V819-I821 VanDerWaalsContact C-N 3.33Å; V819-I821 PolarHBondContact O-N 3.42Å; V819-M822 HydrophobicContact CG1-CE 3.95Å; V819-M822 WeakPolarHBondContact O-CB 3.27Å; V819-M822 PolarHBondContact O-N 2.91Å; V819-Q823 HydrophobicContact CG1-CG 4.29Å; V819-Q823 VanDerWaalsContact O-CG 3.26Å; V819-Q823 WeakPolarHBondContact O-CG 3.46Å; V819-Q823 PolarHBondContact O-N 3.02Å; V819-M863 HydrophobicContact CG2-CE 3.76Å
820S94.2Very high93.7Very high43 Ų4337.1 Ų37.130%0.30119%0.188SC..Hα-helixtrans-60.6-42.3174.3-174.20000112.1E816 N817 Q823 K824E816-S820 WeakPolarHBondContact O-CB 3.4Å; E816-S820 PolarHBondContact O-N 2.69Å; N817-S820 WeakPolarHBondContact O-CB 3.39Å; N817-S820 PolarHBondContact O-N 2.66Å; S820-Q823 WeakPolarHBondContact O-CB 3.34Å; S820-Q823 PolarHBondContact O-N 2.94Å; S820-K824 WeakPolarHBondContact O-CG 3.29Å; S820-K824 PolarHBondContact O-N 2.83Å
821I93.8Very high93.9Very high13 Ų1339.4 Ų39.47%0.06720%0.202CC..Hα-helixtrans-64-44.9174.9-69.3157.8000110.8N817 R818 V819 Q823 K824 V825 T856 Q859 V860N817-I821 WeakPolarHBondContact O-CG1 3.19Å; N817-I821 PolarHBondContact O-N 2.88Å; R818-I821 PolarHBondContact O-N 3.45Å; V819-I821 VanDerWaalsContact C-N 3.33Å; V819-I821 PolarHBondContact O-N 3.42Å; I821-Q823 VanDerWaalsContact C-N 3.3Å; I821-Q823 PolarHBondContact O-N 2.85Å; I821-K824 PolarHBondContact O-N 2.99Å; I821-V825 WeakPolarHBondContact O-CG2 3.37Å; I821-V825 PolarHBondContact O-N 3.07Å; I821-T856 HydrophobicContact CD1-CG2 4.05Å; I821-T856 HydrophobicContact CG1-CG2 4.42Å; I821-T856 HydrophobicContact CG2-CG2 4.03Å; I821-Q859 HydrophobicContact CD1-CB 4.45Å; I821-V860 HydrophobicContact CG2-CG2 3.53Å
822M94.9Very high93.9Very high1 Ų137.7 Ų37.71%0.00519%0.192CC..Hα-helixtrans-55.9-45.1174.6-177.8-165.277.700111.6M690 W731 M735 R818 V819 V825 I826 M863 Y866 I867M690-M822 HydrophobicContact CE-CE 4.44Å; M690-M822 HydrophobicContact SD-CE 4.36Å; W731-M822 HydrophobicContact CE3-CE 4.46Å; M735-M822 HydrophobicContact CE-CE 4.24Å; M735-M822 HydrophobicContact SD-CE 3.81Å; R818-M822 PolarHBondContact O-N 3.03Å; V819-M822 HydrophobicContact CG1-CE 3.95Å; V819-M822 WeakPolarHBondContact O-CB 3.27Å; V819-M822 PolarHBondContact O-N 2.91Å; M822-V825 PolarHBondContact O-N 3.28Å; M822-I826 HydrophobicContact CE-CD1 4.41Å; M822-I826 HydrophobicContact CG-CD1 3.91Å; M822-I826 WeakPolarHBondContact O-CG1 3.39Å; M822-I826 PolarHBondContact O-N 3.41Å; M822-M863 HydrophobicContact CB-CB 4.02Å; M822-M863 HydrophobicContact CB-CG 4.18Å; M822-M863 HydrophobicContact CG-CB 3.87Å; M822-M863 HydrophobicContact CG-CG 4.39Å; M822-M863 HydrophobicContact SD-CB 3.88Å; M822-M863 HydrophobicContact SD-CG 4.12Å; M822-M863 HydrophobicContact SD-SD 3.96Å; M822-Y866 VanDerWaalsContact SD-CB 3.54Å; M822-Y866 HydrophobicContact SD-CD2 4.3Å; M822-Y866 HydrophobicContact SD-CG 4.13Å; M822-I867 HydrophobicContact CG-CD1 4.09Å; M822-I867 HydrophobicContact CG-CG1 3.63Å
823Q94.7Very high93.8Very high28 Ų2836.1 Ų36.113%0.13118%0.183CC..Hα-helixtrans-58.7-49.1177.2-73.3175.9-31.100111.5W731 V819 S820 I821 V825 I826 E827W731-Q823 HydrophobicContact CD2-CG 3.71Å; W731-Q823 HydrophobicContact CE3-CB 4.43Å; W731-Q823 HydrophobicContact CE3-CG 3.5Å; W731-Q823 VanDerWaalsContact CE3-CG 3.5Å; W731-Q823 HydrophobicContact CG-CG 4.5Å; W731-Q823 VanDerWaalsContact CG-NE2 3.32Å; W731-Q823 HydrophobicContact CH2-CB 3.82Å; W731-Q823 HydrophobicContact CH2-CG 3.79Å; W731-Q823 HydrophobicContact CZ2-CB 4.02Å; W731-Q823 HydrophobicContact CZ2-CG 3.91Å; W731-Q823 HydrophobicContact CZ3-CB 4.04Å; W731-Q823 HydrophobicContact CZ3-CG 3.58Å; V819-Q823 HydrophobicContact CG1-CG 4.29Å; V819-Q823 VanDerWaalsContact O-CG 3.26Å; V819-Q823 WeakPolarHBondContact O-CG 3.46Å; V819-Q823 PolarHBondContact O-N 3.02Å; S820-Q823 WeakPolarHBondContact O-CB 3.34Å; S820-Q823 PolarHBondContact O-N 2.94Å; I821-Q823 VanDerWaalsContact C-N 3.3Å; I821-Q823 PolarHBondContact O-N 2.85Å; Q823-V825 PolarHBondContact O-N 2.8Å; Q823-I826 PolarHBondContact O-N 2.9Å; Q823-E827 WeakPolarHBondContact O-CB 3.33Å; Q823-E827 WeakPolarHBondContact O-CG 3.39Å; Q823-E827 PolarHBondContact O-N 2.95Å
824K94.3Very high93.7Very high79 Ų7937.4 Ų37.434%0.34319%0.186SC..Hα-helixtrans-57.6-46.1177.3-71.3175.9174-1380112.2S820 I821 I826 E827 L828 D963 L966S820-K824 WeakPolarHBondContact O-CG 3.29Å; S820-K824 PolarHBondContact O-N 2.83Å; I821-K824 PolarHBondContact O-N 2.99Å; K824-I826 VanDerWaalsContact C-N 3.34Å; K824-I826 PolarHBondContact O-N 3.44Å; K824-E827 PolarHBondContact O-N 3.47Å; K824-L828 VanDerWaalsContact O-CG 3.28Å; K824-L828 WeakPolarHBondContact O-CG 3.24Å; K824-L828 PolarHBondContact O-N 3.16Å; K824-D963 WeakPolarHBondContact CD-OD2 3.35Å; K824-D963 WeakPolarHBondContact CE-OD2 3.37Å; K824-D963 IonicContact NZ-OD2 2.69Å; K824-D963 PolarHBondContact NZ-OD2 2.87Å; K824-L966 HydrophobicContact CB-CD2 3.93Å
825V96Very high93.7Very high0 Ų038.3 Ų38.30%019%0.185CC..Hα-helixtrans-59.4-45.5177.41710000111.2I821 M822 Q823 A829 M847 V849 V860 I867 L966 V968I821-V825 WeakPolarHBondContact O-CG2 3.37Å; I821-V825 PolarHBondContact O-N 3.07Å; M822-V825 PolarHBondContact O-N 3.28Å; Q823-V825 PolarHBondContact O-N 2.8Å; V825-A829 WeakPolarHBondContact O-CB 3.1Å; V825-A829 PolarHBondContact O-N 3.21Å; V825-M847 HydrophobicContact CG1-CE 3.51Å; V825-M847 HydrophobicContact CG1-SD 4.42Å; V825-V849 HydrophobicContact CG1-CG2 3.74Å; V825-V849 HydrophobicContact CG2-CG1 4Å; V825-V849 HydrophobicContact CG2-CG2 4.25Å; V825-V860 HydrophobicContact CG2-CG2 4.16Å; V825-I867 HydrophobicContact CG1-CD1 4.26Å; V825-I867 HydrophobicContact CG1-CG2 4.09Å; V825-L966 HydrophobicContact CG2-CD1 4.36Å; V825-L966 HydrophobicContact CG2-CD2 4Å; V825-V968 HydrophobicContact CB-CG2 4.46Å; V825-V968 HydrophobicContact CG1-CG2 4.08Å; V825-V968 HydrophobicContact CG2-CG2 4.49Å
826I95.3Very high93.4Very high0 Ų042.6 Ų42.60%020%0.204CC..Hα-helixtrans-65.8-40.3179.3-70.2166.9000111.3W731 M735 M822 Q823 K824 A829 R830 I867 E870 V871W731-I826 HydrophobicContact CH2-CB 4Å; W731-I826 HydrophobicContact CH2-CG2 3.85Å; W731-I826 HydrophobicContact CZ3-CB 4.16Å; W731-I826 HydrophobicContact CZ3-CD1 3.85Å; W731-I826 HydrophobicContact CZ3-CG2 4.08Å; M735-I826 HydrophobicContact CE-CD1 4.06Å; M822-I826 HydrophobicContact CE-CD1 4.41Å; M822-I826 HydrophobicContact CG-CD1 3.91Å; M822-I826 WeakPolarHBondContact O-CG1 3.39Å; M822-I826 PolarHBondContact O-N 3.41Å; Q823-I826 PolarHBondContact O-N 2.9Å; K824-I826 VanDerWaalsContact C-N 3.34Å; K824-I826 PolarHBondContact O-N 3.44Å; I826-A829 PolarHBondContact O-N 2.82Å; I826-R830 HydrophobicContact CG2-CG 4.48Å; I826-R830 VanDerWaalsContact O-CG 3.29Å; I826-R830 WeakPolarHBondContact O-CG 3.35Å; I826-R830 PolarHBondContact O-N 3.1Å; I826-I867 HydrophobicContact CD1-CG1 4.28Å; I826-I867 HydrophobicContact CG1-CG1 4.25Å; I826-I867 HydrophobicContact CG1-CG2 4.48Å; I826-E870 HydrophobicContact CD1-CB 4.08Å; I826-V871 HydrophobicContact CB-CG2 4.49Å; I826-V871 HydrophobicContact CG1-CG2 4.1Å; I826-V871 HydrophobicContact CG2-CG2 4.48Å
827E94.6Very high93.1Very high99 Ų9944.8 Ų44.846%0.46323%0.228SC..Hα-helixtrans-64.6-47.6177.6-74.7175.7173.200111.8W731 Q823 K824 A829 R830 V831W731-E827 HydrophobicContact CH2-CG 4.26Å; W731-E827 HydrophobicContact CZ2-CG 4.09Å; Q823-E827 WeakPolarHBondContact O-CB 3.33Å; Q823-E827 WeakPolarHBondContact O-CG 3.39Å; Q823-E827 PolarHBondContact O-N 2.95Å; K824-E827 PolarHBondContact O-N 3.47Å; E827-A829 VanDerWaalsContact C-N 3.3Å; E827-A829 PolarHBondContact O-N 2.69Å; E827-R830 WeakPolarHBondContact O-CB 3.08Å; E827-R830 PolarHBondContact O-N 3.4Å; E827-R830 VanDerWaalsContact O-N 3.11Å; E827-V831 WeakPolarHBondContact O-CG2 3.4Å; E827-V831 PolarHBondContact O-N 2.85Å
828L95.2Very high92.8Very high13 Ų1341.8 Ų41.87%0.06821%0.212CC..Hα-helixtrans-57.2-44.4174.4-68.5173.5000111.2K824 R830 V831 I832 D961 D963 L966 V968K824-L828 VanDerWaalsContact O-CG 3.28Å; K824-L828 WeakPolarHBondContact O-CG 3.24Å; K824-L828 PolarHBondContact O-N 3.16Å; L828-R830 PolarHBondContact O-N 3.37Å; L828-V831 PolarHBondContact O-N 2.71Å; L828-I832 VanDerWaalsContact O-CG1 3.29Å; L828-I832 WeakPolarHBondContact O-CG1 3.38Å; L828-I832 PolarHBondContact O-N 3.46Å; L828-D961 HydrophobicContact CB-CB 4.43Å; L828-D961 HydrophobicContact CD2-CB 4.04Å; L828-D961 WeakPolarHBondContact CD2-OD2 3.33Å; L828-D963 HydrophobicContact CD1-CB 4.29Å; L828-D963 HydrophobicContact CD2-CB 4.34Å; L828-L966 HydrophobicContact CD1-CD2 4.33Å; L828-L966 HydrophobicContact CD1-CG 4.35Å; L828-V968 HydrophobicContact CB-CB 4.06Å; L828-V968 HydrophobicContact CB-CG2 3.82Å; L828-V968 HydrophobicContact CD1-CB 4.5Å; L828-V968 HydrophobicContact CD1-CG2 3.8Å; L828-V968 HydrophobicContact CG-CG2 4.48Å
829A94.6Very high92.3Very high0 Ų043.6 Ų43.60%023%0.227CC..Hα-helixtrans-62.8-39.7176.300000112.7V825 I826 E827 I832 R833 M847 V871 V968V825-A829 WeakPolarHBondContact O-CB 3.1Å; V825-A829 PolarHBondContact O-N 3.21Å; I826-A829 PolarHBondContact O-N 2.82Å; E827-A829 VanDerWaalsContact C-N 3.3Å; E827-A829 PolarHBondContact O-N 2.69Å; A829-I832 PolarHBondContact O-N 2.96Å; A829-R833 WeakPolarHBondContact O-CG 3.23Å; A829-R833 PolarHBondContact O-N 3.34Å; A829-M847 HydrophobicContact CB-SD 3.71Å; A829-V871 HydrophobicContact CB-CB 4.46Å; A829-V871 HydrophobicContact CB-CG1 3.73Å; A829-V871 HydrophobicContact CB-CG2 3.76Å; A829-V968 HydrophobicContact CB-CG1 4.41Å
830R92.5Very high91.7Very high58 Ų5847.1 Ų47.122%0.21925%0.246CC..Hα-helixtrans-65.1-43.6176.2-75.4172-179172.94.9111.7I826 E827 L828 I832 R833 D834 E870I826-R830 HydrophobicContact CG2-CG 4.48Å; I826-R830 VanDerWaalsContact O-CG 3.29Å; I826-R830 WeakPolarHBondContact O-CG 3.35Å; I826-R830 PolarHBondContact O-N 3.1Å; E827-R830 WeakPolarHBondContact O-CB 3.08Å; E827-R830 PolarHBondContact O-N 3.4Å; E827-R830 VanDerWaalsContact O-N 3.11Å; L828-R830 PolarHBondContact O-N 3.37Å; R830-I832 VanDerWaalsContact C-N 3.28Å; R830-I832 PolarHBondContact O-N 2.89Å; R830-R833 PolarHBondContact O-N 3Å; R830-R833 VanDerWaalsContact O-N 3.13Å; R830-D834 PolarHBondContact O-N 3.16Å; R830-E870 IonicContact NH2-OE2 3.54Å; R830-E870 PolarHBondContact NH2-OE2 2.76Å
831V93.1Very high91Very high65 Ų6547.8 Ų47.839%0.39424%0.243SC..Hα-helixtrans-58-43.2175.2172.80000110.7E827 L828 D834 R835 D961E827-V831 WeakPolarHBondContact O-CG2 3.4Å; E827-V831 PolarHBondContact O-N 2.85Å; L828-V831 PolarHBondContact O-N 2.71Å; V831-D834 PolarHBondContact O-N 3.11Å; V831-R835 VanDerWaalsContact O-CB 3.26Å; V831-R835 WeakPolarHBondContact O-CB 3.23Å; V831-R835 PolarHBondContact O-N 3.39Å; V831-D961 VanDerWaalsContact CG1-OD2 3.29Å; V831-D961 WeakPolarHBondContact CG1-OD2 3.34Å
832I92.7Very high90.4Very high0 Ų049.4 Ų49.40%025%0.251CS..Hα-helixtrans-60.8-47175.4-67.2163.6000111.3L828 A829 R830 D834 R835 K836 E959 D961 V968 L970L828-I832 VanDerWaalsContact O-CG1 3.29Å; L828-I832 WeakPolarHBondContact O-CG1 3.38Å; L828-I832 PolarHBondContact O-N 3.46Å; A829-I832 PolarHBondContact O-N 2.96Å; R830-I832 VanDerWaalsContact C-N 3.28Å; R830-I832 PolarHBondContact O-N 2.89Å; I832-D834 PolarHBondContact O-N 2.93Å; I832-R835 PolarHBondContact O-N 2.88Å; I832-K836 PolarHBondContact O-N 2.78Å; I832-E959 HydrophobicContact CB-CG 4.45Å; I832-E959 HydrophobicContact CG1-CG 4.42Å; I832-E959 HydrophobicContact CG2-CB 3.56Å; I832-E959 HydrophobicContact CG2-CG 3.57Å; I832-D961 HydrophobicContact CD1-CB 3.91Å; I832-D961 HydrophobicContact CG1-CB 3.66Å; I832-V968 HydrophobicContact CD1-CB 4.36Å; I832-V968 HydrophobicContact CD1-CG1 4.13Å; I832-L970 HydrophobicContact CB-CD2 4.23Å; I832-L970 HydrophobicContact CD1-CB 4.13Å; I832-L970 HydrophobicContact CG2-CB 3.83Å; I832-L970 HydrophobicContact CG2-CD2 3.77Å; I832-L970 HydrophobicContact CG2-CG 4.43Å
833R91.5Very high89.9Confident4 Ų449.7 Ų49.72%0.01525%0.252CS..Hα-helixtrans-62-43.9179.1-70.1-174.584.6116.811.4111.8A829 R830 K836 A837 L838 P839 H842 L844 V871 N872 L970A829-R833 WeakPolarHBondContact O-CG 3.23Å; A829-R833 PolarHBondContact O-N 3.34Å; R830-R833 PolarHBondContact O-N 3Å; R830-R833 VanDerWaalsContact O-N 3.13Å; R833-K836 CarbonylContact O-C 3.54Å; R833-K836 PolarHBondContact O-N 2.76Å; R833-A837 CarbonylContact O-C 3.47Å; R833-A837 WeakPolarHBondContact O-CA 3.3Å; R833-A837 PolarHBondContact O-N 2.81Å; R833-L838 HydrophobicContact CB-CB 4.26Å; R833-L838 HydrophobicContact CG-CB 4.41Å; R833-L838 PolarHBondContact O-N 3Å; R833-P839 PolarHBondContact NH2-O 3.42Å; R833-H842 PolarHBondContact NH2-O 3.19Å; R833-L844 HydrophobicContact CG-CD1 4.24Å; R833-L844 VanDerWaalsContact CZ-CD1 3.47Å; R833-V871 PolarHBondContact NH1-O 3.08Å; R833-N872 PolarHBondContact NH1-O 3.05Å; R833-L970 HydrophobicContact CG-CD2 3.61Å
834D89.9Confident89.6Confident131 Ų13148.8 Ų48.870%0.70125%0.248SC*.Hα-helixtrans-65.1-43.4178.5-72.3-15.9000111.1R830 V831 I832 K836 A837R830-D834 PolarHBondContact O-N 3.16Å; V831-D834 PolarHBondContact O-N 3.11Å; I832-D834 PolarHBondContact O-N 2.93Å; D834-K836 VanDerWaalsContact C-N 3.27Å; D834-K836 PolarHBondContact O-N 2.89Å; D834-A837 PolarHBondContact O-N 3.27Å
835R91Very high89.3Confident121 Ų12145.8 Ų45.846%0.45724%0.24SC..Hα-helixtrans-58.8-37.3176.8-169.5-172.2-56169.52.2112.6V831 I832 E959 A960 D961V831-R835 VanDerWaalsContact O-CB 3.26Å; V831-R835 WeakPolarHBondContact O-CB 3.23Å; V831-R835 PolarHBondContact O-N 3.39Å; I832-R835 PolarHBondContact O-N 2.88Å; R835-E959 VanDerWaalsContact CD-OE1 3.3Å; R835-E959 WeakPolarHBondContact CD-OE1 3.31Å; R835-E959 IonicContact CZ-OE1 3.82Å; R835-E959 IonicContact NE-OE1 2.79Å; R835-E959 IonicContact NH1-OE1 3.94Å; R835-E959 PolarHBondContact NH1-OE1 3.11Å; R835-A960 PolarHBondContact NH1-O 3.31Å; R835-A960 VanDerWaalsContact NH1-O 3.07Å; R835-D961 IonicContact CZ-OD1 3.75Å; R835-D961 VanDerWaalsContact NH2-CG 3.28Å; R835-D961 IonicContact NH2-OD1 2.85Å; R835-D961 PolarHBondContact NH2-OD1 3.49Å; R835-D961 IonicContact NH2-OD2 2.67Å
836K88.3Confident89.1Confident91 Ų9149.5 Ų49.540%0.39625%0.254SS..THydrogen-bonded Turntrans-946.1176.8-65.3-70.5-179.1174.50113.6I832 R833 D834 L838 E959 V972I832-K836 PolarHBondContact O-N 2.78Å; R833-K836 CarbonylContact O-C 3.54Å; R833-K836 PolarHBondContact O-N 2.76Å; D834-K836 VanDerWaalsContact C-N 3.27Å; D834-K836 PolarHBondContact O-N 2.89Å; K836-L838 HydrophobicContact CB-CD1 3.84Å; K836-L838 HydrophobicContact CB-CG 3.72Å; K836-L838 PolarHBondContact O-N 3.34Å; K836-E959 VanDerWaalsContact CE-CG 3.5Å; K836-E959 WeakPolarHBondContact CE-OE2 3.24Å; K836-E959 HydrophobicContact CG-CB 4.33Å; K836-E959 HydrophobicContact CG-CG 4.11Å; K836-E959 IonicContact NZ-OE2 2.98Å; K836-E959 PolarHBondContact NZ-OE2 3.29Å; K836-V972 HydrophobicContact CG-CG1 4.39Å
837A87.3Confident89Confident81 Ų8149.5 Ų49.567%0.66925%0.254SS*.THydrogen-bonded Turntrans49.239.8-175.600000113.6R833 D834 P839R833-A837 CarbonylContact O-C 3.47Å; R833-A837 WeakPolarHBondContact O-CA 3.3Å; R833-A837 PolarHBondContact O-N 2.81Å; D834-A837 PolarHBondContact O-N 3.27Å; A837-P839 WeakPolarHBondContact O-CD 3.5Å
838L86Confident89Confident21 Ų2144.9 Ų44.911%0.1123%0.233CC..  trans-87.4110.8-178.8-64.7174.1000110.4R833 K836 L840 L844 V972R833-L838 HydrophobicContact CB-CB 4.26Å; R833-L838 HydrophobicContact CG-CB 4.41Å; R833-L838 PolarHBondContact O-N 3Å; K836-L838 HydrophobicContact CB-CD1 3.84Å; K836-L838 HydrophobicContact CB-CG 3.72Å; K836-L838 PolarHBondContact O-N 3.34Å; L838-L840 PolarHBondContact O-N 3.45Å; L838-L844 HydrophobicContact CD1-CD1 4.27Å; L838-L844 HydrophobicContact CD1-CD2 4.31Å; L838-V972 HydrophobicContact CD1-CB 4.02Å; L838-V972 HydrophobicContact CD1-CG1 3.62Å
839P83Confident89Confident67 Ų6744.2 Ų44.244%0.43523%0.229SC..  trans-65.6136.5-176.2-13.926.8000111R833 A837 K841 H842R833-P839 PolarHBondContact NH2-O 3.42Å; A837-P839 WeakPolarHBondContact O-CD 3.5Å; P839-K841 PolarHBondContact O-N 3.46Å; P839-K841 VanDerWaalsContact O-N 3.11Å; P839-H842 WeakPolarHBondContact CB-ND1 3.31Å; P839-H842 PolarHBondContact O-N 3.23Å; P839-H842 VanDerWaalsContact O-N 3.08Å
840L83Confident89Confident74 Ų7444.2 Ų44.239%0.38723%0.229SC..THydrogen-bonded Turntrans-57.3-29.9-176.5-168.968.9000113.5L838 H842 N872L838-L840 PolarHBondContact O-N 3.45Å; L840-H842 PolarHBondContact O-N 3.3Å; L840-N872 WeakPolarHBondContact O-CB 3.36Å; L840-N872 PolarHBondContact O-ND2 2.97Å
841K79.9Confident89Confident57 Ų5743 Ų4325%0.24823%0.226CC..THydrogen-bonded Turntrans-67.6-23-179.5-62.6179.9-165160.30113.8P839 P843 N872 R985 E986 N989P839-K841 PolarHBondContact O-N 3.46Å; P839-K841 VanDerWaalsContact O-N 3.11Å; K841-P843 WeakPolarHBondContact O-CD 3.5Å; K841-N872 PolarHBondContact O-ND2 3.44Å; K841-R985 HydrophobicContact CB-CB 4.43Å; K841-R985 WeakPolarHBondContact O-CD 3.4Å; K841-E986 HydrophobicContact CD-CB 4.47Å; K841-E986 WeakPolarHBondContact CD-OE2 3.47Å; K841-E986 IonicContact NZ-OE1 3.03Å; K841-E986 PolarHBondContact NZ-OE1 3.34Å; K841-E986 IonicContact NZ-OE2 2.78Å; K841-E986 PolarHBondContact NZ-OE2 2.9Å; K841-N989 PolarHBondContact NZ-ND2 3.02Å; K841-N989 VanDerWaalsContact NZ-ND2 3.15Å
842H81.5Confident88.8Confident48 Ų4842.3 Ų42.322%0.22222%0.223CC..SBendtrans-81.8117.4176.2-63.284.9000108.4R833 P839 L840R833-H842 PolarHBondContact NH2-O 3.19Å; P839-H842 WeakPolarHBondContact CB-ND1 3.31Å; P839-H842 PolarHBondContact O-N 3.23Å; P839-H842 VanDerWaalsContact O-N 3.08Å; L840-H842 PolarHBondContact O-N 3.3Å
843P84.6Confident88.6Confident6 Ų645.6 Ų45.64%0.03924%0.241CC..  trans-61146.7173.924.3-31.2000110.4K841 N872 M978 E981K841-P843 WeakPolarHBondContact O-CD 3.5Å; P843-N872 WeakPolarHBondContact CA-ND2 3.46Å; P843-N872 WeakPolarHBondContact CA-O 3.39Å; P843-M978 WeakPolarHBondContact CD-O 3.21Å; P843-M978 HydrophobicContact CG-CB 3.89Å; P843-M978 HydrophobicContact CG-CG 4.09Å; P843-M978 WeakPolarHBondContact O-CB 3.36Å; P843-M978 VanDerWaalsContact O-SD 3.34Å; P843-E981 HydrophobicContact CG-CB 4.16Å; P843-E981 HydrophobicContact CG-CG 4.33Å
844L88.3Confident88.5Confident9 Ų947.5 Ų47.55%0.04726%0.261CS..EExtended strand (participates in β ladder)trans-109.2158.6172.7-66.7178.1000110.5R833 L838 N872 I873 R874 L970R833-L844 HydrophobicContact CG-CD1 4.24Å; R833-L844 VanDerWaalsContact CZ-CD1 3.47Å; L838-L844 HydrophobicContact CD1-CD1 4.27Å; L838-L844 HydrophobicContact CD1-CD2 4.31Å; L844-N872 PolarHBondContact N-O 2.96Å; L844-I873 HydrophobicContact CB-CG2 3.84Å; L844-I873 CarbonylContact O-C 3.55Å; L844-I873 VanDerWaalsContact O-CA 3.29Å; L844-I873 WeakPolarHBondContact O-CA 3.49Å; L844-R874 PolarHBondContact O-N 2.83Å; L844-L970 HydrophobicContact CD1-CD1 3.97Å; L844-L970 HydrophobicContact CD1-CD2 3.46Å; L844-L970 VanDerWaalsContact CD1-CD2 3.46Å; L844-L970 HydrophobicContact CD1-CG 3.69Å
845G86.7Confident88.6Confident17 Ų1746.5 Ų46.518%0.17525%0.252CS..EExtended strand (participates in β ladder)trans-65-65-174.700000112.6R874 Q875 M978G845-R874 WeakPolarHBondContact O-CB 3.2Å; G845-R874 PolarHBondContact O-N 2.97Å; G845-Q875 PolarHBondContact O-N 2.74Å; G845-M978 VanDerWaalsContact CA-CE 3.46Å
846R92Very high88.5Confident77 Ų7741.5 Ų41.529%0.29124%0.235SC..EExtended strand (participates in β ladder)trans-151.8156.9-173.559.7-170.2171.5166.113.6113.2Q875 F877 K957 Y958 D971R846-Q875 CarbonylContact C-O 3.57Å; R846-Q875 WeakPolarHBondContact CA-O 3.33Å; R846-Q875 HydrophobicContact CB-CB 4.18Å; R846-F877 HydrophobicContact CB-CD2 4.37Å; R846-F877 HydrophobicContact CB-CE2 4.18Å; R846-K957 VanDerWaalsContact NH2-NZ 3.17Å; R846-Y958 HydrophobicContact CG-CE1 4.37Å; R846-Y958 PolarHBondContact NE-OH 2.86Å; R846-Y958 PolarHBondContact NH2-OH 3.17Å; R846-D971 HydrophobicContact CG-CB 3.72Å; R846-D971 WeakPolarHBondContact CG-OD2 3.47Å; R846-D971 IonicContact NE-OD2 2.82Å; R846-D971 PolarHBondContact NE-OD2 3.09Å; R846-D971 VanDerWaalsContact NE-OD2 3.13Å; R846-D971 VanDerWaalsContact O-CB 3.23Å; R846-D971 WeakPolarHBondContact O-CB 3.48Å; R846-D971 PolarHBondContact O-N 3.16Å
847M94.4Very high88.8Confident0 Ų037.9 Ų37.90%022%0.22CC..EExtended strand (participates in β ladder)trans-126.2140.6172-171.8166.972.700109.8V825 A829 V849 I867 V871 I873 Q875 L876 F877 V968 L969 L970V825-M847 HydrophobicContact CG1-CE 3.51Å; V825-M847 HydrophobicContact CG1-SD 4.42Å; A829-M847 HydrophobicContact CB-SD 3.71Å; M847-V849 HydrophobicContact CE-CG2 4.29Å; M847-I867 HydrophobicContact CE-CG2 3.18Å; M847-V871 HydrophobicContact CE-CG2 4.44Å; M847-V871 HydrophobicContact SD-CG1 4.38Å; M847-I873 HydrophobicContact CB-CD1 3.49Å; M847-I873 VanDerWaalsContact CB-CD1 3.49Å; M847-I873 HydrophobicContact CE-CD1 3.9Å; M847-I873 HydrophobicContact SD-CD1 4.4Å; M847-Q875 PolarHBondContact N-O 3.42Å; M847-L876 HydrophobicContact CB-CD1 4.07Å; M847-L876 HydrophobicContact CE-CD1 3.45Å; M847-L876 VanDerWaalsContact CE-CD1 3.45Å; M847-L876 HydrophobicContact CG-CD1 4.26Å; M847-L876 WeakPolarHBondContact O-CA 3.39Å; M847-F877 PolarHBondContact O-N 3.01Å; M847-V968 HydrophobicContact CG-CG1 3.56Å; M847-V968 HydrophobicContact SD-CG1 3.39Å; M847-V968 WeakPolarHBondContact SD-CG1 3.38Å; M847-L969 CarbonylContact C-O 3.57Å; M847-L969 WeakPolarHBondContact CA-O 3.24Å; M847-L970 HydrophobicContact CB-CD1 3.95Å; M847-L970 HydrophobicContact CG-CD1 4.06Å; M847-L970 HydrophobicContact SD-CD1 4.11Å
848I94.4Very high89Confident2 Ų239.7 Ų39.71%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-119.6125.1175.8-53.8145.1000108.3I850 F877 W885 Y958 L969I848-I850 HydrophobicContact CG2-CD1 4.28Å; I848-I850 HydrophobicContact CG2-CG1 3.92Å; I848-F877 CarbonylContact C-O 3.48Å; I848-F877 VanDerWaalsContact CA-O 3.28Å; I848-F877 WeakPolarHBondContact CA-O 3.31Å; I848-F877 HydrophobicContact CG1-CB 4.33Å; I848-W885 HydrophobicContact CD1-CD2 4.31Å; I848-W885 HydrophobicContact CD1-CE3 3.82Å; I848-W885 HydrophobicContact CD1-CH2 3.27Å; I848-W885 HydrophobicContact CD1-CZ2 3.8Å; I848-W885 HydrophobicContact CD1-CZ3 3.29Å; I848-W885 HydrophobicContact CG1-CH2 4.14Å; I848-W885 HydrophobicContact CG1-CZ2 4.26Å; I848-W885 HydrophobicContact CG2-CD2 4.45Å; I848-W885 HydrophobicContact CG2-CZ2 4.2Å; I848-Y958 HydrophobicContact CD1-CD1 4.3Å; I848-Y958 HydrophobicContact CD1-CE1 3.55Å; I848-Y958 HydrophobicContact CD1-CE2 4.39Å; I848-Y958 WeakPolarHBondContact CD1-OH 3.5Å; I848-L969 HydrophobicContact CB-CB 4.2Å; I848-L969 HydrophobicContact CB-CD1 4.4Å; I848-L969 HydrophobicContact CD1-CB 4.41Å; I848-L969 HydrophobicContact CD1-CD1 4.42Å; I848-L969 PolarHBondContact N-O 3.22Å; I848-L969 PolarHBondContact O-N 3.33Å
849V95.3Very high89.3Confident0 Ų039.1 Ų39.10%021%0.211CC..EExtended strand (participates in β ladder)trans-106.3126.6176.5-178.20000108.7V825 M847 V860 L876 F877 T878 S879 L966 V968V825-V849 HydrophobicContact CG1-CG2 3.74Å; V825-V849 HydrophobicContact CG2-CG1 4Å; V825-V849 HydrophobicContact CG2-CG2 4.25Å; M847-V849 HydrophobicContact CE-CG2 4.29Å; V849-V860 HydrophobicContact CB-CG1 4.28Å; V849-V860 HydrophobicContact CG1-CG1 4.33Å; V849-V860 HydrophobicContact CG1-CG2 4.21Å; V849-V860 HydrophobicContact CG2-CG1 4.16Å; V849-L876 HydrophobicContact CG2-CD1 3.76Å; V849-F877 PolarHBondContact N-O 3.27Å; V849-T878 CarbonylContact O-C 3.55Å; V849-T878 WeakPolarHBondContact O-CA 3.38Å; V849-S879 PolarHBondContact O-N 3.3Å; V849-L966 HydrophobicContact CG1-CD1 3.58Å; V849-V968 HydrophobicContact CG2-CG2 4.36Å
850I94Very high89.8Confident0 Ų035.9 Ų35.90%019%0.191CC..EExtended strand (participates in β ladder)trans-121.8129.8-176.6-52.2169.8000109.9I848 S879 T882 W885 V887 I967 L969I848-I850 HydrophobicContact CG2-CD1 4.28Å; I848-I850 HydrophobicContact CG2-CG1 3.92Å; I850-S879 VanDerWaalsContact CA-O 3.24Å; I850-S879 WeakPolarHBondContact CA-O 3.09Å; I850-S879 WeakPolarHBondContact CG2-O 3.16Å; I850-T882 HydrophobicContact CG2-CG2 4.12Å; I850-W885 HydrophobicContact CD1-CB 3.44Å; I850-W885 VanDerWaalsContact CD1-CB 3.44Å; I850-W885 HydrophobicContact CD1-CD2 4.48Å; I850-W885 HydrophobicContact CD1-CG 3.56Å; I850-V887 HydrophobicContact CD1-CG2 3.75Å; I850-I967 HydrophobicContact CB-CG2 3.61Å; I850-I967 HydrophobicContact CD1-CG2 4.33Å; I850-I967 HydrophobicContact CG1-CG2 4.36Å; I850-I967 HydrophobicContact CG2-CG2 4.28Å; I850-I967 PolarHBondContact N-O 3.06Å; I850-I967 PolarHBondContact O-N 3.19Å; I850-L969 HydrophobicContact CD1-CD1 3.53Å; I850-L969 HydrophobicContact CD1-CG 4.39Å
851H93.2Very high90.3Very high31 Ų3136 Ų3614%0.14419%0.189CC..  trans-153.9143.6178.7-167.4-92.6000109.6D853 T856 L857 S879 R965 L966H851-D853 WeakPolarHBondContact ND1-CB 3.18Å; H851-D853 PolarHBondContact ND1-N 2.91Å; H851-D853 PolarHBondContact ND1-O 3Å; H851-T856 HydrophobicContact CB-CG2 4.22Å; H851-T856 PolarHBondContact CE1-OG1 3.17Å; H851-T856 WeakPolarHBondContact ND1-CB 3.49Å; H851-L857 HydrophobicContact CB-CD2 3.68Å; H851-L857 HydrophobicContact CB-CG 4.1Å; H851-S879 PolarHBondContact N-O 3.04Å; H851-R965 PolarHBondContact CD2-O 2.7Å; H851-L966 HydrophobicContact CB-CD1 4.2Å
852P88Confident90.9Very high52 Ų5237.9 Ų37.934%0.33820%0.199SC..SBendtrans-72.3-31.3-178.128-35.8000113.2Y946 R965P852-Y946 WeakPolarHBondContact CD-OH 3.32Å; P852-R965 HydrophobicContact CG-CB 4.16Å
853D88.5Confident91.5Very high69 Ų6935.7 Ų35.737%0.36919%0.189SC..  trans-82.8124.2177.917439.7000111.3H851 Q855 T856 L857H851-D853 WeakPolarHBondContact ND1-CB 3.18Å; H851-D853 PolarHBondContact ND1-N 2.91Å; H851-D853 PolarHBondContact ND1-O 3Å; D853-Q855 VanDerWaalsContact C-N 3.32Å; D853-Q855 PolarHBondContact O-N 2.8Å; D853-Q855 PolarHBondContact OD1-N 3.1Å; D853-Q855 WeakPolarHBondContact OD2-CB 3.2Å; D853-T856 PolarHBondContact OD2-N 3.44Å; D853-T856 PolarHBondContact OD2-OG1 3.02Å; D853-T856 VanDerWaalsContact OD2-OG1 3.13Å; D853-L857 PolarHBondContact O-N 2.91Å
854G90.2Very high91.9Very high43 Ų4338.1 Ų38.144%0.44320%0.199SC..Hα-helixtrans-68-28.5178.800000113.4L857 Q858G854-L857 PolarHBondContact O-N 3.49Å; G854-Q858 PolarHBondContact O-N 2.72Å
855Q90.5Very high92.1Very high110 Ų11043.7 Ų43.751%0.51423%0.228SC..Hα-helixtrans-68.2-45.1177.9-171.2179.88.900111.1D853 L857 Q858 Q859D853-Q855 VanDerWaalsContact C-N 3.32Å; D853-Q855 PolarHBondContact O-N 2.8Å; D853-Q855 PolarHBondContact OD1-N 3.1Å; D853-Q855 WeakPolarHBondContact OD2-CB 3.2Å; Q855-L857 VanDerWaalsContact C-N 3.29Å; Q855-L857 PolarHBondContact O-N 3.01Å; Q855-Q858 WeakPolarHBondContact O-CB 3.28Å; Q855-Q858 PolarHBondContact O-N 3.35Å; Q855-Q859 WeakPolarHBondContact O-CG 3.34Å; Q855-Q859 PolarHBondContact O-N 3Å
856T90.5Very high92.3Very high17 Ų1745.3 Ų45.310%0.10423%0.229CC..Hα-helixtrans-54.6-43.6171.1-62.30000112.2I821 H851 D853 Q859 V860I821-T856 HydrophobicContact CD1-CG2 4.05Å; I821-T856 HydrophobicContact CG1-CG2 4.42Å; I821-T856 HydrophobicContact CG2-CG2 4.03Å; H851-T856 HydrophobicContact CB-CG2 4.22Å; H851-T856 PolarHBondContact CE1-OG1 3.17Å; H851-T856 WeakPolarHBondContact ND1-CB 3.49Å; D853-T856 PolarHBondContact OD2-N 3.44Å; D853-T856 PolarHBondContact OD2-OG1 3.02Å; D853-T856 VanDerWaalsContact OD2-OG1 3.13Å; T856-Q859 WeakPolarHBondContact O-CB 3.33Å; T856-Q859 PolarHBondContact O-N 3.16Å; T856-V860 WeakPolarHBondContact O-CG2 3.48Å; T856-V860 PolarHBondContact O-N 2.94Å
857L92.7Very high92.4Very high14 Ų1441.6 Ų41.67%0.07322%0.216CC..Hα-helixtrans-65.9-39.8178.6-66.4179.2000112.2H851 D853 G854 Q855 Q859 V860 E861 T878 S879 N880H851-L857 HydrophobicContact CB-CD2 3.68Å; H851-L857 HydrophobicContact CB-CG 4.1Å; D853-L857 PolarHBondContact O-N 2.91Å; G854-L857 PolarHBondContact O-N 3.49Å; Q855-L857 VanDerWaalsContact C-N 3.29Å; Q855-L857 PolarHBondContact O-N 3.01Å; L857-Q859 VanDerWaalsContact C-N 3.29Å; L857-Q859 PolarHBondContact O-N 3.22Å; L857-V860 WeakPolarHBondContact O-CB 3.16Å; L857-V860 PolarHBondContact O-N 3.44Å; L857-E861 PolarHBondContact O-N 2.8Å; L857-T878 HydrophobicContact CB-CG2 4.48Å; L857-T878 HydrophobicContact CD2-CG2 4.33Å; L857-S879 WeakPolarHBondContact CD1-O 3.4Å; L857-N880 HydrophobicContact CD1-CB 3.93Å
858Q93Very high92.4Very high120 Ų12043.1 Ų43.156%0.56122%0.223SC*.Hα-helixtrans-62.5-38.5175.1-170.4-179.516.200111.6G854 Q855 V860 E861 Q862G854-Q858 PolarHBondContact O-N 2.72Å; Q855-Q858 WeakPolarHBondContact O-CB 3.28Å; Q855-Q858 PolarHBondContact O-N 3.35Å; Q858-V860 VanDerWaalsContact C-N 3.35Å; Q858-E861 PolarHBondContact O-N 3.49Å; Q858-Q862 WeakPolarHBondContact O-CG 3.34Å; Q858-Q862 PolarHBondContact O-N 2.78Å
859Q92Very high92.2Very high8 Ų848 Ų484%0.03725%0.249CC..Hα-helixtrans-64.3-37.6175.1-75.5175-16.100112.4R818 I821 Q855 T856 L857 M863R818-Q859 HydrophobicContact CB-CB 4.3Å; R818-Q859 HydrophobicContact CB-CG 4.24Å; R818-Q859 HydrophobicContact CG-CB 3.93Å; R818-Q859 HydrophobicContact CG-CG 4.22Å; I821-Q859 HydrophobicContact CD1-CB 4.45Å; Q855-Q859 WeakPolarHBondContact O-CG 3.34Å; Q855-Q859 PolarHBondContact O-N 3Å; T856-Q859 WeakPolarHBondContact O-CB 3.33Å; T856-Q859 PolarHBondContact O-N 3.16Å; L857-Q859 VanDerWaalsContact C-N 3.29Å; L857-Q859 PolarHBondContact O-N 3.22Å; Q859-M863 PolarHBondContact O-N 2.59Å
860V93.8Very high92Very high0 Ų049.1 Ų49.10%026%0.255CS..Hα-helixtrans-62.5-45.6171.7172.30000110.9I821 V825 V849 T856 L857 Q858 Q862 M863 K864 I867 L876 T878I821-V860 HydrophobicContact CG2-CG2 3.53Å; V825-V860 HydrophobicContact CG2-CG2 4.16Å; V849-V860 HydrophobicContact CB-CG1 4.28Å; V849-V860 HydrophobicContact CG1-CG1 4.33Å; V849-V860 HydrophobicContact CG1-CG2 4.21Å; V849-V860 HydrophobicContact CG2-CG1 4.16Å; T856-V860 WeakPolarHBondContact O-CG2 3.48Å; T856-V860 PolarHBondContact O-N 2.94Å; L857-V860 WeakPolarHBondContact O-CB 3.16Å; L857-V860 PolarHBondContact O-N 3.44Å; Q858-V860 VanDerWaalsContact C-N 3.35Å; V860-Q862 VanDerWaalsContact C-N 3.32Å; V860-Q862 PolarHBondContact O-N 3.36Å; V860-M863 CarbonylContact O-C 3.51Å; V860-M863 PolarHBondContact O-N 2.59Å; V860-K864 PolarHBondContact O-N 3.32Å; V860-I867 HydrophobicContact CG1-CD1 3.92Å; V860-L876 HydrophobicContact CG1-CD2 4.01Å; V860-T878 HydrophobicContact CB-CG2 4.19Å; V860-T878 HydrophobicContact CG1-CG2 3.89Å
861E93.5Very high91.8Very high75 Ų7549.2 Ų49.235%0.3526%0.255SS..Hα-helixtrans-65-36.6-179.3-164.964.3-162.500111.9L857 Q858 M863 K864L857-E861 PolarHBondContact O-N 2.8Å; Q858-E861 PolarHBondContact O-N 3.49Å; E861-M863 PolarHBondContact O-N 2.89Å; E861-K864 WeakPolarHBondContact O-CB 3.42Å; E861-K864 PolarHBondContact O-N 2.94Å; E861-K864 WeakPolarHBondContact OE1-CD 3.44Å; E861-K864 IonicContact OE1-NZ 2.71Å; E861-K864 PolarHBondContact OE1-NZ 2.83Å
862Q92.1Very high91.6Very high98 Ų9848.6 Ų48.646%0.45825%0.253SS..Hα-helixtrans-63.8-22.6173.6-73173.31.800113.6Q858 V860Q858-Q862 WeakPolarHBondContact O-CG 3.34Å; Q858-Q862 PolarHBondContact O-N 2.78Å; V860-Q862 VanDerWaalsContact C-N 3.32Å; V860-Q862 PolarHBondContact O-N 3.36Å
863M93.4Very high91.8Very high1 Ų146.5 Ų46.51%0.00524%0.239CC..THydrogen-bonded Turntrans-105.811-180-70.4-64.417800113.2V689 R818 V819 M822 Q859 V860 E861 D865 Y866 I867V689-M863 HydrophobicContact CB-CE 4.17Å; V689-M863 HydrophobicContact CG1-CE 3.73Å; V689-M863 HydrophobicContact CG1-SD 4.09Å; V689-M863 HydrophobicContact CG2-CE 3.35Å; R818-M863 HydrophobicContact CB-CE 4.44Å; R818-M863 HydrophobicContact CG-CE 3.62Å; R818-M863 HydrophobicContact CG-CG 3.6Å; R818-M863 HydrophobicContact CG-SD 4.48Å; R818-M863 VanDerWaalsContact NE-CE 3.26Å; V819-M863 HydrophobicContact CG2-CE 3.76Å; M822-M863 HydrophobicContact CB-CB 4.02Å; M822-M863 HydrophobicContact CB-CG 4.18Å; M822-M863 HydrophobicContact CG-CB 3.87Å; M822-M863 HydrophobicContact CG-CG 4.39Å; M822-M863 HydrophobicContact SD-CB 3.88Å; M822-M863 HydrophobicContact SD-CG 4.12Å; M822-M863 HydrophobicContact SD-SD 3.96Å; Q859-M863 PolarHBondContact O-N 2.59Å; V860-M863 CarbonylContact O-C 3.51Å; V860-M863 PolarHBondContact O-N 2.59Å; E861-M863 PolarHBondContact O-N 2.89Å; M863-D865 VanDerWaalsContact C-N 3.33Å; M863-D865 PolarHBondContact O-N 2.85Å; M863-Y866 PolarHBondContact O-N 3.48Å; M863-Y866 HydrophobicContact SD-CD2 3.85Å; M863-Y866 HydrophobicContact SD-CE2 4.2Å; M863-I867 HydrophobicContact CB-CD1 4.34Å; M863-I867 WeakPolarHBondContact O-CG1 3.46Å; M863-I867 PolarHBondContact O-N 3.02Å
864K93.9Very high91.7Very high58 Ų5848.6 Ų48.625%0.25224%0.242SC..Hα-helixtrans-53.5-44.5-172.1173.3167.6-175174.20114V860 E861 Y866 I867 I868 L876V860-K864 PolarHBondContact O-N 3.32Å; E861-K864 WeakPolarHBondContact O-CB 3.42Å; E861-K864 PolarHBondContact O-N 2.94Å; E861-K864 WeakPolarHBondContact OE1-CD 3.44Å; E861-K864 IonicContact OE1-NZ 2.71Å; E861-K864 PolarHBondContact OE1-NZ 2.83Å; K864-Y866 VanDerWaalsContact C-N 3.33Å; K864-Y866 PolarHBondContact O-N 2.93Å; K864-I867 PolarHBondContact O-N 3.19Å; K864-I867 VanDerWaalsContact O-N 3.16Å; K864-I868 HydrophobicContact CD-CD1 4.25Å; K864-I868 HydrophobicContact CG-CD1 3.51Å; K864-I868 HydrophobicContact CG-CG1 4.11Å; K864-I868 WeakPolarHBondContact O-CB 3.42Å; K864-I868 VanDerWaalsContact O-CG1 3.3Å; K864-I868 WeakPolarHBondContact O-CG1 3.45Å; K864-I868 PolarHBondContact O-N 3.31Å; K864-L876 HydrophobicContact CB-CD2 3.99Å; K864-L876 HydrophobicContact CD-CB 4.32Å; K864-L876 HydrophobicContact CD-CD2 4.49Å; K864-L876 HydrophobicContact CG-CB 4.07Å; K864-L876 HydrophobicContact CG-CD2 3.88Å; K864-L876 PolarHBondContact NZ-O 3.15Å
865D91.4Very high91.8Very high125 Ų12551.5 Ų51.567%0.66824%0.244SC*.Hα-helixtrans-62.5-41.8-176.4-64.2-25.4000111.7M863 I867 I868 D869M863-D865 VanDerWaalsContact C-N 3.33Å; M863-D865 PolarHBondContact O-N 2.85Å; D865-I867 PolarHBondContact O-N 3.21Å; D865-I868 PolarHBondContact O-N 3.02Å; D865-D869 WeakPolarHBondContact O-CB 3.31Å; D865-D869 PolarHBondContact O-N 2.83Å
866Y92.3Very high92Very high51 Ų5146.3 Ų46.320%0.222%0.219CC..Hα-helixtrans-64.8-40.2175.6-65.7-72.3000112V689 M690 M735 M822 M863 K864 E870V689-Y866 HydrophobicContact CG1-CE2 3.75Å; M690-Y866 HydrophobicContact CG-CD1 4.45Å; M690-Y866 HydrophobicContact CG-CE1 3.7Å; M690-Y866 HydrophobicContact CG-CE2 4.02Å; M690-Y866 VanDerWaalsContact CG-CZ 3.44Å; M690-Y866 WeakPolarHBondContact CG-OH 3.32Å; M735-Y866 HydrophobicContact CB-CD1 4.46Å; M735-Y866 HydrophobicContact SD-CD1 4.47Å; M822-Y866 VanDerWaalsContact SD-CB 3.54Å; M822-Y866 HydrophobicContact SD-CD2 4.3Å; M822-Y866 HydrophobicContact SD-CG 4.13Å; M863-Y866 PolarHBondContact O-N 3.48Å; M863-Y866 HydrophobicContact SD-CD2 3.85Å; M863-Y866 HydrophobicContact SD-CE2 4.2Å; K864-Y866 VanDerWaalsContact C-N 3.33Å; K864-Y866 PolarHBondContact O-N 2.93Å; Y866-E870 VanDerWaalsContact O-CB 3.27Å; Y866-E870 WeakPolarHBondContact O-CB 3.43Å; Y866-E870 WeakPolarHBondContact O-CG 3.2Å; Y866-E870 PolarHBondContact O-N 3.28Å
867I94.2Very high92.2Very high0 Ų050 Ų500%023%0.234CC..Hα-helixtrans-66.1-45.6178.5-63.7169.9000110.5M822 V825 I826 M847 V860 M863 K864 D865 E870 V871 L876M822-I867 HydrophobicContact CG-CD1 4.09Å; M822-I867 HydrophobicContact CG-CG1 3.63Å; V825-I867 HydrophobicContact CG1-CD1 4.26Å; V825-I867 HydrophobicContact CG1-CG2 4.09Å; I826-I867 HydrophobicContact CD1-CG1 4.28Å; I826-I867 HydrophobicContact CG1-CG1 4.25Å; I826-I867 HydrophobicContact CG1-CG2 4.48Å; M847-I867 HydrophobicContact CE-CG2 3.18Å; V860-I867 HydrophobicContact CG1-CD1 3.92Å; M863-I867 HydrophobicContact CB-CD1 4.34Å; M863-I867 WeakPolarHBondContact O-CG1 3.46Å; M863-I867 PolarHBondContact O-N 3.02Å; K864-I867 PolarHBondContact O-N 3.19Å; K864-I867 VanDerWaalsContact O-N 3.16Å; D865-I867 PolarHBondContact O-N 3.21Å; I867-E870 PolarHBondContact O-N 2.68Å; I867-V871 HydrophobicContact CG2-CG2 4.27Å; I867-V871 VanDerWaalsContact O-CB 3.31Å; I867-V871 WeakPolarHBondContact O-CB 3.26Å; I867-V871 WeakPolarHBondContact O-CG2 3.15Å; I867-V871 PolarHBondContact O-N 2.73Å; I867-L876 HydrophobicContact CB-CD2 4.21Å; I867-L876 HydrophobicContact CD1-CD2 3.98Å; I867-L876 HydrophobicContact CG2-CD1 4.39Å; I867-L876 HydrophobicContact CG2-CD2 4.07Å
868I93.9Very high92.3Very high32 Ų3251.7 Ų51.716%0.16425%0.245CC..Hα-helixtrans-60.2-49.4179-75.6179.2000110.6K864 D865 N872 I873 L876K864-I868 HydrophobicContact CD-CD1 4.25Å; K864-I868 HydrophobicContact CG-CD1 3.51Å; K864-I868 HydrophobicContact CG-CG1 4.11Å; K864-I868 WeakPolarHBondContact O-CB 3.42Å; K864-I868 VanDerWaalsContact O-CG1 3.3Å; K864-I868 WeakPolarHBondContact O-CG1 3.45Å; K864-I868 PolarHBondContact O-N 3.31Å; D865-I868 PolarHBondContact O-N 3.02Å; I868-N872 VanDerWaalsContact O-CA 3.25Å; I868-N872 WeakPolarHBondContact O-CA 3.49Å; I868-N872 PolarHBondContact O-N 3.07Å; I868-I873 HydrophobicContact CB-CG1 4.37Å; I868-I873 HydrophobicContact CG1-CD1 4.2Å; I868-I873 HydrophobicContact CG1-CG1 4.1Å; I868-I873 WeakPolarHBondContact CG2-O 3.41Å; I868-I873 PolarHBondContact O-N 2.5Å; I868-L876 HydrophobicContact CD1-CB 4.27Å; I868-L876 HydrophobicContact CG1-CB 4.13Å
869D89.4Confident92.2Very high103 Ų10346.8 Ų46.855%0.55122%0.224SC*.Hα-helixtrans-64.3-42.9-179.6-96.819.1000112K738 D865K738-D869 IonicContact NZ-OD2 2.69Å; K738-D869 PolarHBondContact NZ-OD2 2.9Å; D865-D869 WeakPolarHBondContact O-CB 3.31Å; D865-D869 PolarHBondContact O-N 2.83Å
870E90.7Very high92.1Very high25 Ų2551.6 Ų51.612%0.11725%0.25CC..Hα-helixtrans-81.8-32.8-173.4-79.2-79.5159.900114.3R734 M735 I826 R830 Y866 I867 N872R734-E870 IonicContact CZ-OE2 2.74Å; R734-E870 IonicContact NE-OE1 2.72Å; R734-E870 PolarHBondContact NE-OE1 2.88Å; R734-E870 IonicContact NE-OE2 2.91Å; R734-E870 PolarHBondContact NE-OE2 3.29Å; R734-E870 IonicContact NH2-OE2 2.76Å; R734-E870 PolarHBondContact NH2-OE2 3.17Å; M735-E870 HydrophobicContact CE-CB 4.47Å; M735-E870 HydrophobicContact CE-CG 3.66Å; M735-E870 HydrophobicContact CG-CG 4.1Å; M735-E870 HydrophobicContact SD-CG 4.34Å; I826-E870 HydrophobicContact CD1-CB 4.08Å; R830-E870 IonicContact NH2-OE2 3.54Å; R830-E870 PolarHBondContact NH2-OE2 2.76Å; Y866-E870 VanDerWaalsContact O-CB 3.27Å; Y866-E870 WeakPolarHBondContact O-CB 3.43Å; Y866-E870 WeakPolarHBondContact O-CG 3.2Å; Y866-E870 PolarHBondContact O-N 3.28Å; I867-E870 PolarHBondContact O-N 2.68Å; E870-N872 VanDerWaalsContact C-N 3.34Å
871V91Very high91.7Very high2 Ų254.7 Ų54.71%0.01227%0.266CS..Hα-helixtrans-82.7-18.8172.4-175.20000110.3I826 A829 R833 M847 I867 I873 L970I826-V871 HydrophobicContact CB-CG2 4.49Å; I826-V871 HydrophobicContact CG1-CG2 4.1Å; I826-V871 HydrophobicContact CG2-CG2 4.48Å; A829-V871 HydrophobicContact CB-CB 4.46Å; A829-V871 HydrophobicContact CB-CG1 3.73Å; A829-V871 HydrophobicContact CB-CG2 3.76Å; R833-V871 PolarHBondContact NH1-O 3.08Å; M847-V871 HydrophobicContact CE-CG2 4.44Å; M847-V871 HydrophobicContact SD-CG1 4.38Å; I867-V871 HydrophobicContact CG2-CG2 4.27Å; I867-V871 VanDerWaalsContact O-CB 3.31Å; I867-V871 WeakPolarHBondContact O-CB 3.26Å; I867-V871 WeakPolarHBondContact O-CG2 3.15Å; I867-V871 PolarHBondContact O-N 2.73Å; V871-I873 HydrophobicContact CB-CG1 4.35Å; V871-I873 HydrophobicContact CB-CG2 4.33Å; V871-I873 HydrophobicContact CG1-CG2 3.71Å; V871-L970 HydrophobicContact CG1-CD1 4.29Å
872N89.5Confident91.3Very high17 Ų1752.4 Ų52.49%0.09126%0.258CS..THydrogen-bonded Turntrans55.863.6-173.1-169.337.4000111.5R833 L840 K841 P843 L844 I868 E870 R985R833-N872 PolarHBondContact NH1-O 3.05Å; L840-N872 WeakPolarHBondContact O-CB 3.36Å; L840-N872 PolarHBondContact O-ND2 2.97Å; K841-N872 PolarHBondContact O-ND2 3.44Å; P843-N872 WeakPolarHBondContact CA-ND2 3.46Å; P843-N872 WeakPolarHBondContact CA-O 3.39Å; L844-N872 PolarHBondContact N-O 2.96Å; I868-N872 VanDerWaalsContact O-CA 3.25Å; I868-N872 WeakPolarHBondContact O-CA 3.49Å; I868-N872 PolarHBondContact O-N 3.07Å; E870-N872 VanDerWaalsContact C-N 3.34Å; N872-R985 VanDerWaalsContact CG-NH1 3.26Å; N872-R985 PolarHBondContact ND2-NH1 2.8Å; N872-R985 PolarHBondContact OD1-NH1 2.65Å
873I90.9Very high90.7Very high8 Ų853.6 Ų53.64%0.04127%0.271CS..EExtended strand (participates in β ladder)trans-118.8158.4176.151.7170.5000109.5L844 M847 I868 V871 L876 L970L844-I873 HydrophobicContact CB-CG2 3.84Å; L844-I873 CarbonylContact O-C 3.55Å; L844-I873 VanDerWaalsContact O-CA 3.29Å; L844-I873 WeakPolarHBondContact O-CA 3.49Å; M847-I873 HydrophobicContact CB-CD1 3.49Å; M847-I873 VanDerWaalsContact CB-CD1 3.49Å; M847-I873 HydrophobicContact CE-CD1 3.9Å; M847-I873 HydrophobicContact SD-CD1 4.4Å; I868-I873 HydrophobicContact CB-CG1 4.37Å; I868-I873 HydrophobicContact CG1-CD1 4.2Å; I868-I873 HydrophobicContact CG1-CG1 4.1Å; I868-I873 WeakPolarHBondContact CG2-O 3.41Å; I868-I873 PolarHBondContact O-N 2.5Å; V871-I873 HydrophobicContact CB-CG1 4.35Å; V871-I873 HydrophobicContact CB-CG2 4.33Å; V871-I873 HydrophobicContact CG1-CG2 3.71Å; I873-L876 HydrophobicContact CD1-CB 4.34Å; I873-L876 HydrophobicContact CD1-CD1 4.48Å; I873-L970 HydrophobicContact CG2-CD1 3.81Å
874R87.1Confident90.3Very high114 Ų11461.8 Ų61.843%0.4330%0.302SS..EExtended strand (participates in β ladder)trans-83.8-37175.3-63.2-170.8175.8159.90.1113L844 G845 D975 S977L844-R874 PolarHBondContact O-N 2.83Å; G845-R874 WeakPolarHBondContact O-CB 3.2Å; G845-R874 PolarHBondContact O-N 2.97Å; R874-D975 IonicContact NH1-OD2 3.94Å; R874-S977 PolarHBondContact NH2-OG 3.43Å; R874-S977 VanDerWaalsContact NH2-OG 3.12Å
875Q92.1Very high89.7Confident104 Ų10460.6 Ų60.649%0.48630%0.296SS..EExtended strand (participates in β ladder)trans-138.5140.1-174.4-66-178.3-22.100112.7G845 R846 M847 F877G845-Q875 PolarHBondContact O-N 2.74Å; R846-Q875 CarbonylContact C-O 3.57Å; R846-Q875 WeakPolarHBondContact CA-O 3.33Å; R846-Q875 HydrophobicContact CB-CB 4.18Å; M847-Q875 PolarHBondContact N-O 3.42Å; Q875-F877 HydrophobicContact CB-CD2 4.5Å; Q875-F877 HydrophobicContact CB-CE2 3.75Å; Q875-F877 HydrophobicContact CB-CZ 4.15Å
876L94.5Very high89.4Confident1 Ų155.2 Ų55.21%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-115.5131.7171.4179.665.5000109.3M847 V849 V860 K864 I867 I868 I873M847-L876 HydrophobicContact CB-CD1 4.07Å; M847-L876 HydrophobicContact CE-CD1 3.45Å; M847-L876 VanDerWaalsContact CE-CD1 3.45Å; M847-L876 HydrophobicContact CG-CD1 4.26Å; M847-L876 WeakPolarHBondContact O-CA 3.39Å; V849-L876 HydrophobicContact CG2-CD1 3.76Å; V860-L876 HydrophobicContact CG1-CD2 4.01Å; K864-L876 HydrophobicContact CB-CD2 3.99Å; K864-L876 HydrophobicContact CD-CB 4.32Å; K864-L876 HydrophobicContact CD-CD2 4.49Å; K864-L876 HydrophobicContact CG-CB 4.07Å; K864-L876 HydrophobicContact CG-CD2 3.88Å; K864-L876 PolarHBondContact NZ-O 3.15Å; I867-L876 HydrophobicContact CB-CD2 4.21Å; I867-L876 HydrophobicContact CD1-CD2 3.98Å; I867-L876 HydrophobicContact CG2-CD1 4.39Å; I867-L876 HydrophobicContact CG2-CD2 4.07Å; I868-L876 HydrophobicContact CD1-CB 4.27Å; I868-L876 HydrophobicContact CG1-CB 4.13Å; I873-L876 HydrophobicContact CD1-CB 4.34Å; I873-L876 HydrophobicContact CD1-CD1 4.48Å
877F94.2Very high89Confident93 Ų9353 Ų5341%0.40826%0.262SS..EExtended strand (participates in β ladder)trans-123.8144173.6-62-78.4000110.7R846 M847 I848 V849 Q875R846-F877 HydrophobicContact CB-CD2 4.37Å; R846-F877 HydrophobicContact CB-CE2 4.18Å; M847-F877 PolarHBondContact O-N 3.01Å; I848-F877 CarbonylContact C-O 3.48Å; I848-F877 VanDerWaalsContact CA-O 3.28Å; I848-F877 WeakPolarHBondContact CA-O 3.31Å; I848-F877 HydrophobicContact CG1-CB 4.33Å; V849-F877 PolarHBondContact N-O 3.27Å; Q875-F877 HydrophobicContact CB-CD2 4.5Å; Q875-F877 HydrophobicContact CB-CE2 3.75Å; Q875-F877 HydrophobicContact CB-CZ 4.15Å
878T94.6Very high88.7Confident51 Ų5160.3 Ų60.331%0.31329%0.29SS..EExtended strand (participates in β ladder)trans-111.7143.1172.754.90000110.5V849 L857 V860V849-T878 CarbonylContact O-C 3.55Å; V849-T878 WeakPolarHBondContact O-CA 3.38Å; L857-T878 HydrophobicContact CB-CG2 4.48Å; L857-T878 HydrophobicContact CD2-CG2 4.33Å; V860-T878 HydrophobicContact CB-CG2 4.19Å; V860-T878 HydrophobicContact CG1-CG2 3.89Å
879S92.5Very high88.5Confident16 Ų1659.6 Ų59.611%0.11229%0.286CS..EExtended strand (participates in β ladder)trans-146.2143.3176-168.80000111.8V849 I850 H851 L857 D881 W885V849-S879 PolarHBondContact O-N 3.3Å; I850-S879 VanDerWaalsContact CA-O 3.24Å; I850-S879 WeakPolarHBondContact CA-O 3.09Å; I850-S879 WeakPolarHBondContact CG2-O 3.16Å; H851-S879 PolarHBondContact N-O 3.04Å; L857-S879 WeakPolarHBondContact CD1-O 3.4Å; S879-D881 PolarHBondContact OG-N 3.43Å; S879-W885 PolarHBondContact OG-NE1 2.87Å
880N89.7Confident88.5Confident109 Ų10956 Ų5658%0.58327%0.27SS*.  trans-100-2.8169.461.5-7.7000112.5L857 T882L857-N880 HydrophobicContact CD1-CB 3.93Å; N880-T882 PolarHBondContact O-N 3.32Å
881D85.4Confident88.4Confident65 Ų6555.2 Ų55.235%0.34827%0.267SS..  trans-89.390.4-175.7-172.3-14.9000110.2S879 V883 R884 W885S879-D881 PolarHBondContact OG-N 3.43Å; D881-V883 VanDerWaalsContact C-N 3.27Å; D881-V883 PolarHBondContact O-N 3.4Å; D881-V883 PolarHBondContact OD1-N 3.01Å; D881-V883 VanDerWaalsContact OD1-N 3.14Å; D881-R884 HydrophobicContact CB-CB 4.06Å; D881-R884 WeakPolarHBondContact OD1-CB 3.34Å; D881-R884 PolarHBondContact OD1-N 2.83Å; D881-R884 VanDerWaalsContact OD2-CB 3.26Å; D881-R884 WeakPolarHBondContact OD2-CB 3.46Å; D881-W885 VanDerWaalsContact O-CD1 3.3Å
882T83.9Confident88.3Confident28 Ų2858.9 Ų58.917%0.17228%0.284CS..THydrogen-bonded Turntrans-65.2-32.5178.255.10000112.1I850 N880 W885 G886 V887 Y946I850-T882 HydrophobicContact CG2-CG2 4.12Å; N880-T882 PolarHBondContact O-N 3.32Å; T882-W885 PolarHBondContact O-N 3.4Å; T882-G886 PolarHBondContact O-N 3.47Å; T882-V887 HydrophobicContact CG2-CB 4.43Å; T882-V887 HydrophobicContact CG2-CG1 4.36Å; T882-V887 PolarHBondContact O-N 3.46Å; T882-Y946 HydrophobicContact CG2-CE1 4.19Å; T882-Y946 HydrophobicContact CG2-CE2 4.07Å
883V81.3Confident88.2Confident122 Ų12258.4 Ų58.474%0.73928%0.282SS*.THydrogen-bonded Turntrans-68.5-47.4-176.4-179.50000110.5D881 W885 G886D881-V883 VanDerWaalsContact C-N 3.27Å; D881-V883 PolarHBondContact O-N 3.4Å; D881-V883 PolarHBondContact OD1-N 3.01Å; D881-V883 VanDerWaalsContact OD1-N 3.14Å; V883-W885 PolarHBondContact O-N 2.89Å; V883-G886 PolarHBondContact O-N 3.22Å
884R83.1Confident88.1Confident173 Ų17360.7 Ų60.765%0.65330%0.295SS*.THydrogen-bonded Turntrans-55.7-37.1179174.8178.6179.9-179.21.9113.1D881D881-R884 HydrophobicContact CB-CB 4.06Å; D881-R884 WeakPolarHBondContact OD1-CB 3.34Å; D881-R884 PolarHBondContact OD1-N 2.83Å; D881-R884 VanDerWaalsContact OD2-CB 3.26Å; D881-R884 WeakPolarHBondContact OD2-CB 3.46Å
885W83Confident88.2Confident33 Ų3361 Ų6113%0.12530%0.296CS..THydrogen-bonded Turntrans-978.9-177.6-64.5108000113.4I848 I850 S879 D881 T882 V883 V887 L948 L954 Y958 L969I848-W885 HydrophobicContact CD1-CD2 4.31Å; I848-W885 HydrophobicContact CD1-CE3 3.82Å; I848-W885 HydrophobicContact CD1-CH2 3.27Å; I848-W885 HydrophobicContact CD1-CZ2 3.8Å; I848-W885 HydrophobicContact CD1-CZ3 3.29Å; I848-W885 HydrophobicContact CG1-CH2 4.14Å; I848-W885 HydrophobicContact CG1-CZ2 4.26Å; I848-W885 HydrophobicContact CG2-CD2 4.45Å; I848-W885 HydrophobicContact CG2-CZ2 4.2Å; I850-W885 HydrophobicContact CD1-CB 3.44Å; I850-W885 VanDerWaalsContact CD1-CB 3.44Å; I850-W885 HydrophobicContact CD1-CD2 4.48Å; I850-W885 HydrophobicContact CD1-CG 3.56Å; S879-W885 PolarHBondContact OG-NE1 2.87Å; D881-W885 VanDerWaalsContact O-CD1 3.3Å; T882-W885 PolarHBondContact O-N 3.4Å; V883-W885 PolarHBondContact O-N 2.89Å; W885-V887 HydrophobicContact CB-CG2 4.1Å; W885-V887 PolarHBondContact O-N 2.81Å; W885-L948 WeakPolarHBondContact O-CD1 3.47Å; W885-L954 HydrophobicContact CE3-CD2 4.29Å; W885-L954 HydrophobicContact CZ3-CD2 4.33Å; W885-Y958 HydrophobicContact CZ3-CE2 4.31Å; W885-L969 HydrophobicContact CB-CD1 4.05Å; W885-L969 HydrophobicContact CD2-CD1 4.34Å; W885-L969 HydrophobicContact CE3-CD1 4.19Å; W885-L969 HydrophobicContact CG-CD1 4.3Å
886G83.4Confident88Confident13 Ų1364.4 Ų64.413%0.13431%0.305CS..THydrogen-bonded Turntrans63.429.3178.800000113.6T882 V883 T949 G950T882-G886 PolarHBondContact O-N 3.47Å; V883-G886 PolarHBondContact O-N 3.22Å; G886-T949 PolarHBondContact O-N 3.18Å; G886-T949 PolarHBondContact O-OG1 2.8Å; G886-G950 PolarHBondContact O-N 3.02Å; G886-G950 VanDerWaalsContact O-N 3.17Å
887V85.8Confident87.6Confident3 Ų366.7 Ų66.72%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-92.1132.5179.1178.90000109.6I850 T882 W885 Y946 V947 L948 I967I850-V887 HydrophobicContact CD1-CG2 3.75Å; T882-V887 HydrophobicContact CG2-CB 4.43Å; T882-V887 HydrophobicContact CG2-CG1 4.36Å; T882-V887 PolarHBondContact O-N 3.46Å; W885-V887 HydrophobicContact CB-CG2 4.1Å; W885-V887 PolarHBondContact O-N 2.81Å; V887-Y946 HydrophobicContact CG1-CD1 3.81Å; V887-Y946 HydrophobicContact CG1-CD2 3.93Å; V887-Y946 HydrophobicContact CG1-CE1 4.47Å; V887-Y946 HydrophobicContact CG1-CG 3.54Å; V887-V947 WeakPolarHBondContact CA-O 3.47Å; V887-L948 HydrophobicContact CG2-CD1 4.44Å; V887-I967 HydrophobicContact CG1-CD1 4.29Å; V887-I967 HydrophobicContact CG1-CG2 4.03Å; V887-I967 HydrophobicContact CG2-CD1 4.29Å; V887-I967 HydrophobicContact CG2-CG2 4.17Å
888R87.5Confident87.2Confident155 Ų15562.3 Ų62.359%0.58530%0.298SS*.EExtended strand (participates in β ladder)trans-132.7160.1174.9-66.4-175-177.6-176.30.3111.4Y946 V947 T949R888-Y946 WeakPolarHBondContact O-CA 3.34Å; R888-V947 PolarHBondContact N-O 2.65Å; R888-V947 WeakPolarHBondContact O-CG2 3.49Å; R888-V947 PolarHBondContact O-N 2.95Å; R888-T949 WeakPolarHBondContact CB-OG1 3.49Å; R888-T949 WeakPolarHBondContact CD-OG1 3.42Å; R888-T949 VanDerWaalsContact CG-OG1 3.29Å; R888-T949 WeakPolarHBondContact CG-OG1 3.14Å
889L89.2Confident86.8Confident17 Ų1761 Ų619%0.08930%0.295CS..EExtended strand (participates in β ladder)trans-73.2139169.4-67.9167000111.1E918 I921 L922 V944 Y946L889-E918 HydrophobicContact CB-CG 4.33Å; L889-E918 HydrophobicContact CD1-CG 4.17Å; L889-E918 PolarHBondContact N-OE1 3.45Å; L889-I921 HydrophobicContact CB-CB 4.44Å; L889-I921 HydrophobicContact CB-CD1 4.37Å; L889-I921 HydrophobicContact CB-CG2 3.93Å; L889-I921 WeakPolarHBondContact O-CD1 3.49Å; L889-L922 HydrophobicContact CD1-CD1 4.45Å; L889-L922 HydrophobicContact CD1-CD2 3.5Å; L889-L922 HydrophobicContact CD1-CG 3.69Å; L889-V944 HydrophobicContact CD2-CG1 3.69Å; L889-Y946 HydrophobicContact CD2-CD1 3.51Å; L889-Y946 HydrophobicContact CD2-CE1 3.35Å; L889-Y946 HydrophobicContact CG-CD1 4.03Å; L889-Y946 HydrophobicContact CG-CE1 3.75Å
890A89.6Confident86.5Confident26 Ų2666.7 Ų66.722%0.21532%0.32CS..EExtended strand (participates in β ladder)trans-135.8156.3169.300000110.3K945 V947A890-K945 PolarHBondContact N-O 2.92Å; A890-K945 PolarHBondContact O-N 3.49Å; A890-V947 HydrophobicContact CB-CB 4.38Å; A890-V947 HydrophobicContact CB-CG1 3.92Å; A890-V947 HydrophobicContact CB-CG2 3.49Å; A890-V947 VanDerWaalsContact CB-CG2 3.49Å
891V88.9Confident86.4Confident9 Ų967 Ų676%0.05531%0.312CS..EExtended strand (participates in β ladder)trans-101.6123.6173.6177.90000109.3L913 L916 I921 F924 A942 S943 V944V891-L913 HydrophobicContact CG1-CB 4.29Å; V891-L913 HydrophobicContact CG1-CD2 4.12Å; V891-L916 HydrophobicContact CB-CD1 4.37Å; V891-L916 HydrophobicContact CG2-CD1 3.84Å; V891-I921 HydrophobicContact CG2-CB 4.29Å; V891-I921 HydrophobicContact CG2-CD1 4.18Å; V891-I921 HydrophobicContact CG2-CG1 3.79Å; V891-I921 HydrophobicContact CG2-CG2 3.77Å; V891-F924 HydrophobicContact CG1-CE1 4.4Å; V891-F924 HydrophobicContact CG2-CD1 4.3Å; V891-A942 HydrophobicContact CG1-CB 3.63Å; V891-S943 CarbonylContact C-O 3.41Å; V891-S943 WeakPolarHBondContact CA-O 3.29Å; V891-V944 HydrophobicContact CG2-CG2 4.27Å
892E87.9Confident86.4Confident79 Ų7964.3 Ų64.337%0.36930%0.298SS..EExtended strand (participates in β ladder)trans-97.3115.6174.2-177.9159.2-124.500110.3A942 S943 K945E892-A942 WeakPolarHBondContact O-CA 3.44Å; E892-S943 PolarHBondContact N-O 2.98Å; E892-S943 PolarHBondContact O-N 3.29Å; E892-K945 HydrophobicContact CB-CD 4.28Å; E892-K945 IonicContact OE1-NZ 3.21Å; E892-K945 PolarHBondContact OE1-NZ 2.92Å; E892-K945 WeakPolarHBondContact OE2-CD 3.47Å; E892-K945 VanDerWaalsContact OE2-CE 3.28Å; E892-K945 WeakPolarHBondContact OE2-CE 3.4Å; E892-K945 IonicContact OE2-NZ 2.71Å; E892-K945 PolarHBondContact OE2-NZ 3.23Å
893P88.1Confident86.6Confident7 Ų770.6 Ų70.65%0.04532%0.323CS..EExtended strand (participates in β ladder)trans-70.5138.2177.8-13.227000111.5Y895 L898 V910 L913P893-Y895 HydrophobicContact CB-CE2 4.44Å; P893-Y895 WeakPolarHBondContact O-CD2 3.45Å; P893-Y895 WeakPolarHBondContact O-CE2 3.49Å; P893-Y895 PolarHBondContact O-N 3.2Å; P893-L898 HydrophobicContact CB-CD1 3.61Å; P893-V910 HydrophobicContact CB-CG2 4.07Å; P893-V910 HydrophobicContact CG-CG1 4.11Å; P893-V910 HydrophobicContact CG-CG2 4.08Å; P893-L913 HydrophobicContact CB-CD1 4.05Å; P893-L913 HydrophobicContact CG-CD1 4.08Å
894N88.9Confident86.9Confident57 Ų5774.1 Ų74.131%0.30533%0.329SS..  trans-78.589.7166.6-170.2-29.3000109.3R896 L897 L898 E940 E941N894-R896 PolarHBondContact O-N 3.49Å; N894-R896 PolarHBondContact OD1-N 3.36Å; N894-L897 HydrophobicContact CB-CB 4.4Å; N894-L897 VanDerWaalsContact ND2-CD1 3.33Å; N894-L897 WeakPolarHBondContact ND2-CD1 3.33Å; N894-L897 PolarHBondContact O-N 3.22Å; N894-L897 PolarHBondContact OD1-N 3.18Å; N894-L898 WeakPolarHBondContact O-CB 3.41Å; N894-L898 WeakPolarHBondContact O-CG 3.26Å; N894-L898 PolarHBondContact O-N 2.95Å; N894-E940 PolarHBondContact ND2-O 2.9Å; N894-E941 VanDerWaalsContact CB-O 3.25Å; N894-E941 WeakPolarHBondContact CB-O 3.47Å; N894-E941 PolarHBondContact N-O 3.17Å
895Y89.8Confident87.1Confident119 Ų11968.4 Ų68.447%0.46731%0.311SS..Hα-helixtrans-55.5-30.5-174.2-66.5-92.4000113.4P893 G899 M906 V910P893-Y895 HydrophobicContact CB-CE2 4.44Å; P893-Y895 WeakPolarHBondContact O-CD2 3.45Å; P893-Y895 WeakPolarHBondContact O-CE2 3.49Å; P893-Y895 PolarHBondContact O-N 3.2Å; Y895-G899 WeakPolarHBondContact O-CA 3.36Å; Y895-G899 PolarHBondContact O-N 2.96Å; Y895-M906 VanDerWaalsContact CA-CE 3.48Å; Y895-M906 HydrophobicContact CD1-CE 3.36Å; Y895-M906 HydrophobicContact CE1-CE 4.31Å; Y895-M906 HydrophobicContact CG-CE 3.93Å; Y895-M906 WeakPolarHBondContact O-CE 3.27Å; Y895-V910 HydrophobicContact CE1-CG1 4.44Å; Y895-V910 HydrophobicContact CE1-CG2 4.43Å
896R86.3Confident87.4Confident176 Ų17668.5 Ų68.566%0.66431%0.313SS*.Hα-helixtrans-70.4-55.7179.7-172.6-178.969.8143.73.4111.9N894 G899 E900N894-R896 PolarHBondContact O-N 3.49Å; N894-R896 PolarHBondContact OD1-N 3.36Å; R896-G899 PolarHBondContact O-N 3.26Å; R896-E900 PolarHBondContact O-N 2.85Å; R896-E900 VanDerWaalsContact O-N 3.14Å
897L86.1Confident87.7Confident50 Ų5072.2 Ų72.226%0.26234%0.335SS..Hα-helixtrans-64.9-44.3-178.3-67.3179.7000111.3N894 G899 E900 R901 E940N894-L897 HydrophobicContact CB-CB 4.4Å; N894-L897 VanDerWaalsContact ND2-CD1 3.33Å; N894-L897 WeakPolarHBondContact ND2-CD1 3.33Å; N894-L897 PolarHBondContact O-N 3.22Å; N894-L897 PolarHBondContact OD1-N 3.18Å; L897-G899 VanDerWaalsContact C-N 3.33Å; L897-G899 PolarHBondContact O-N 3.39Å; L897-E900 PolarHBondContact O-N 2.87Å; L897-R901 PolarHBondContact O-N 3.41Å; L897-E940 WeakPolarHBondContact CD1-O 3.46Å
898L86Confident88Confident0 Ų078.2 Ų78.20%036%0.358CS..Hα-helixtrans-66.2-35.7178.2-67.7172.1000111.8P893 N894 L902 M906 L913 I937 E941P893-L898 HydrophobicContact CB-CD1 3.61Å; N894-L898 WeakPolarHBondContact O-CB 3.41Å; N894-L898 WeakPolarHBondContact O-CG 3.26Å; N894-L898 PolarHBondContact O-N 2.95Å; L898-L902 HydrophobicContact CB-CD1 4.26Å; L898-L902 HydrophobicContact CD2-CD1 3.63Å; L898-L902 HydrophobicContact CD2-CG 4.39Å; L898-L902 WeakPolarHBondContact O-CA 3.46Å; L898-L902 WeakPolarHBondContact O-CB 3.44Å; L898-L902 PolarHBondContact O-N 2.79Å; L898-M906 HydrophobicContact CB-CE 4.32Å; L898-M906 HydrophobicContact CB-CG 4.39Å; L898-L913 HydrophobicContact CD1-CD1 4.28Å; L898-I937 HydrophobicContact CD2-CD1 4.04Å; L898-E941 WeakPolarHBondContact CD1-O 3.28Å; L898-E941 HydrophobicContact CD2-CB 3.85Å; L898-E941 HydrophobicContact CD2-CG 4.46Å; L898-E941 HydrophobicContact CG-CB 4.25Å
899G85.9Confident88.1Confident24 Ų2470.8 Ų70.825%0.24733%0.33CS..Hα-helixtrans-65.2-43.7177.600000112.9Y895 R896 L897 K903Y895-G899 WeakPolarHBondContact O-CA 3.36Å; Y895-G899 PolarHBondContact O-N 2.96Å; R896-G899 PolarHBondContact O-N 3.26Å; L897-G899 VanDerWaalsContact C-N 3.33Å; L897-G899 PolarHBondContact O-N 3.39Å; G899-K903 WeakPolarHBondContact O-CA 3.29Å; G899-K903 PolarHBondContact O-N 3.31Å
900E85.7Confident88.1Confident136 Ų13670.7 Ų70.764%0.63633%0.33SS*.Hα-helixtrans-63.8-42.1177.1-74.4178.3-178.800112R896 L897R896-E900 PolarHBondContact O-N 2.85Å; R896-E900 VanDerWaalsContact O-N 3.14Å; L897-E900 PolarHBondContact O-N 2.87Å
901R89.1Confident88.1Confident114 Ų11472.2 Ų72.243%0.4334%0.343SS..Hα-helixtrans-82.9-49.6-175.8-169.7174.369.8105.8-14.4113.8L897 T936 E941L897-R901 PolarHBondContact O-N 3.41Å; R901-T936 PolarHBondContact NH2-O 3.31Å; R901-E941 IonicContact CZ-OE1 3.29Å; R901-E941 VanDerWaalsContact CZ-OE1 3.23Å; R901-E941 IonicContact CZ-OE2 2.6Å; R901-E941 IonicContact NE-OE1 3.68Å; R901-E941 PolarHBondContact NE-OE1 3.04Å; R901-E941 IonicContact NE-OE2 2.68Å; R901-E941 VanDerWaalsContact NH2-CD 3.27Å; R901-E941 IonicContact NH2-OE1 3.01Å; R901-E941 PolarHBondContact NH2-OE1 2.62Å; R901-E941 IonicContact NH2-OE2 3.86Å; R901-E941 PolarHBondContact NH2-OE2 3.36Å
902L84.7Confident88.1Confident10 Ų1074 Ų745%0.05235%0.354CS..Hα-helixtrans-92.8-20.7-168.8-56.7178000113.4L898 K904 D905 M906 V909 Y935 I937L898-L902 HydrophobicContact CB-CD1 4.26Å; L898-L902 HydrophobicContact CD2-CD1 3.63Å; L898-L902 HydrophobicContact CD2-CG 4.39Å; L898-L902 WeakPolarHBondContact O-CA 3.46Å; L898-L902 WeakPolarHBondContact O-CB 3.44Å; L898-L902 PolarHBondContact O-N 2.79Å; L902-K904 PolarHBondContact O-N 3.21Å; L902-D905 PolarHBondContact O-N 3.06Å; L902-M906 HydrophobicContact CB-CB 4.24Å; L902-V909 HydrophobicContact CD1-CB 3.81Å; L902-V909 HydrophobicContact CD1-CG1 3.9Å; L902-V909 HydrophobicContact CD1-CG2 3.67Å; L902-Y935 HydrophobicContact CD2-CD1 3.57Å; L902-Y935 HydrophobicContact CD2-CD2 4.27Å; L902-Y935 HydrophobicContact CD2-CE1 3.73Å; L902-Y935 HydrophobicContact CD2-CE2 4.4Å; L902-Y935 HydrophobicContact CD2-CG 3.86Å; L902-I937 HydrophobicContact CD1-CD1 4.45Å
903K87.4Confident88.2Confident160 Ų16070.3 Ų70.370%0.69634%0.336SS*.G310 helixtrans45.6-105.8178.8-61-179.6-179.31780112.2G899 D905 M906G899-K903 WeakPolarHBondContact O-CA 3.29Å; G899-K903 PolarHBondContact O-N 3.31Å; K903-D905 VanDerWaalsContact C-N 3.33Å; K903-D905 PolarHBondContact O-N 3.29Å; K903-M906 WeakPolarHBondContact O-CB 3.36Å; K903-M906 PolarHBondContact O-N 3.15Å
904K87.6Confident88.2Confident196 Ų19676.6 Ų76.685%0.85236%0.363SS*.G310 helixtrans-69-25.8-176.8-67.4-174.9178.6-177.60114L902 M906 P907L902-K904 PolarHBondContact O-N 3.21Å; K904-M906 VanDerWaalsContact C-N 3.33Å; K904-P907 VanDerWaalsContact O-CD 3.26Å; K904-P907 WeakPolarHBondContact O-CD 3.42Å
905D87.8Confident88.2Confident53 Ų5377.8 Ų77.828%0.28338%0.381SS..G310 helixtrans-88.7-3.4-177.6-70.3-15.3000112.9L902 K903 P907 Y908 V909 R934 Y935L902-D905 PolarHBondContact O-N 3.06Å; K903-D905 VanDerWaalsContact C-N 3.33Å; K903-D905 PolarHBondContact O-N 3.29Å; D905-P907 VanDerWaalsContact C-CD 3.49Å; D905-Y908 PolarHBondContact O-N 3.05Å; D905-V909 PolarHBondContact O-N 2.9Å; D905-R934 IonicContact OD2-CZ 2.74Å; D905-R934 IonicContact OD2-NH2 3.17Å; D905-R934 PolarHBondContact OD2-NH2 2.95Å; D905-Y935 HydrophobicContact CB-CE2 3.84Å; D905-Y935 PolarHBondContact OD2-OH 3.14Å
906M89.5Confident88.1Confident34 Ų3473.2 Ų73.217%0.16736%0.364CS..Hα-helixtrans-55.4-44.1178.7-176.3-170.3-179.100113.4Y895 L898 L902 K903 K904 Y908 V909 V910Y895-M906 VanDerWaalsContact CA-CE 3.48Å; Y895-M906 HydrophobicContact CD1-CE 3.36Å; Y895-M906 HydrophobicContact CE1-CE 4.31Å; Y895-M906 HydrophobicContact CG-CE 3.93Å; Y895-M906 WeakPolarHBondContact O-CE 3.27Å; L898-M906 HydrophobicContact CB-CE 4.32Å; L898-M906 HydrophobicContact CB-CG 4.39Å; L902-M906 HydrophobicContact CB-CB 4.24Å; K903-M906 WeakPolarHBondContact O-CB 3.36Å; K903-M906 PolarHBondContact O-N 3.15Å; K904-M906 VanDerWaalsContact C-N 3.33Å; M906-Y908 VanDerWaalsContact C-N 3.3Å; M906-Y908 PolarHBondContact O-N 3.12Å; M906-V909 PolarHBondContact O-N 3.02Å; M906-V910 HydrophobicContact CE-CG2 4.28Å; M906-V910 HydrophobicContact CG-CG2 4.1Å; M906-V910 WeakPolarHBondContact O-CB 3.42Å; M906-V910 VanDerWaalsContact O-CG2 3.32Å; M906-V910 WeakPolarHBondContact O-CG2 3.44Å; M906-V910 PolarHBondContact O-N 3.17Å
907P90.4Very high88.1Confident92 Ų9267.5 Ų67.560%0.59735%0.351SS*.Hα-helixtrans-60.9-37.8179.7-23.535.4000113.1K904 D905 A911K904-P907 VanDerWaalsContact O-CD 3.26Å; K904-P907 WeakPolarHBondContact O-CD 3.42Å; D905-P907 VanDerWaalsContact C-CD 3.49Å; P907-A911 WeakPolarHBondContact O-CB 3.26Å; P907-A911 PolarHBondContact O-N 3.23Å
908Y90.9Very high88Confident128 Ų12869.1 Ų69.150%0.50236%0.357SS..Hα-helixtrans-63.1-49.7175.7166.9-101.6000111D905 M906 V910 A911 V912 V932D905-Y908 PolarHBondContact O-N 3.05Å; M906-Y908 VanDerWaalsContact C-N 3.3Å; M906-Y908 PolarHBondContact O-N 3.12Å; Y908-V910 PolarHBondContact O-N 2.91Å; Y908-A911 PolarHBondContact O-N 3.13Å; Y908-V912 HydrophobicContact CE2-CG2 4.09Å; Y908-V912 WeakPolarHBondContact O-CG2 3.45Å; Y908-V912 PolarHBondContact O-N 3.44Å; Y908-V912 VanDerWaalsContact O-N 3.1Å; Y908-V932 HydrophobicContact CE1-CG1 4.01Å
909V89.3Confident87.9Confident0 Ų076.9 Ų76.90%039%0.394CS..Hα-helixtrans-62.8-44.1179.8173.10000111.2L902 D905 M906 A911 V912 L913 V932 Y935 I937L902-V909 HydrophobicContact CD1-CB 3.81Å; L902-V909 HydrophobicContact CD1-CG1 3.9Å; L902-V909 HydrophobicContact CD1-CG2 3.67Å; D905-V909 PolarHBondContact O-N 2.9Å; M906-V909 PolarHBondContact O-N 3.02Å; V909-A911 VanDerWaalsContact C-N 3.33Å; V909-A911 PolarHBondContact O-N 3.49Å; V909-V912 PolarHBondContact O-N 2.81Å; V909-L913 HydrophobicContact CG1-CD1 4.06Å; V909-L913 HydrophobicContact CG1-CG 4.26Å; V909-L913 VanDerWaalsContact O-CG 3.32Å; V909-L913 WeakPolarHBondContact O-CG 3.47Å; V909-L913 PolarHBondContact O-N 3.2Å; V909-V932 HydrophobicContact CB-CG1 4.37Å; V909-V932 HydrophobicContact CG1-CG1 4.31Å; V909-V932 HydrophobicContact CG2-CG1 4.05Å; V909-Y935 HydrophobicContact CG2-CD2 3.84Å; V909-Y935 HydrophobicContact CG2-CE2 4.49Å; V909-I937 HydrophobicContact CG1-CD1 3.59Å; V909-I937 HydrophobicContact CG1-CG1 4.05Å
910V90.3Very high88Confident15 Ų1579.8 Ų79.89%0.09140%0.401CS..Hα-helixtrans-62-39.3177.8169.40000111.9P893 Y895 M906 Y908 L913 K914P893-V910 HydrophobicContact CB-CG2 4.07Å; P893-V910 HydrophobicContact CG-CG1 4.11Å; P893-V910 HydrophobicContact CG-CG2 4.08Å; Y895-V910 HydrophobicContact CE1-CG1 4.44Å; Y895-V910 HydrophobicContact CE1-CG2 4.43Å; M906-V910 HydrophobicContact CE-CG2 4.28Å; M906-V910 HydrophobicContact CG-CG2 4.1Å; M906-V910 WeakPolarHBondContact O-CB 3.42Å; M906-V910 VanDerWaalsContact O-CG2 3.32Å; M906-V910 WeakPolarHBondContact O-CG2 3.44Å; M906-V910 PolarHBondContact O-N 3.17Å; Y908-V910 PolarHBondContact O-N 2.91Å; V910-L913 PolarHBondContact O-N 2.82Å; V910-K914 HydrophobicContact CG1-CD 4.21Å; V910-K914 WeakPolarHBondContact O-CG 3.43Å; V910-K914 PolarHBondContact O-N 3.45Å
911A90.1Very high88.1Confident58 Ų5873.5 Ų73.548%0.47937%0.372SS..Hα-helixtrans-63-43.2176.400000111.7P907 Y908 V909 K914 A915P907-A911 WeakPolarHBondContact O-CB 3.26Å; P907-A911 PolarHBondContact O-N 3.23Å; Y908-A911 PolarHBondContact O-N 3.13Å; V909-A911 VanDerWaalsContact C-N 3.33Å; V909-A911 PolarHBondContact O-N 3.49Å; A911-K914 PolarHBondContact O-N 2.79Å; A911-A915 WeakPolarHBondContact O-CB 3.33Å; A911-A915 PolarHBondContact O-N 2.96Å
912V89.4Confident87.9Confident46 Ų4671.7 Ų71.728%0.27937%0.37SS..Hα-helixtrans-64.7-45.6176.2177.50000111Y908 V909 K914 A915 L916 V932Y908-V912 HydrophobicContact CE2-CG2 4.09Å; Y908-V912 WeakPolarHBondContact O-CG2 3.45Å; Y908-V912 PolarHBondContact O-N 3.44Å; Y908-V912 VanDerWaalsContact O-N 3.1Å; V909-V912 PolarHBondContact O-N 2.81Å; V912-K914 VanDerWaalsContact C-N 3.27Å; V912-K914 PolarHBondContact O-N 2.97Å; V912-A915 PolarHBondContact O-N 3.22Å; V912-A915 VanDerWaalsContact O-N 3.07Å; V912-L916 WeakPolarHBondContact O-CG 3.4Å; V912-L916 PolarHBondContact O-N 2.88Å; V912-V932 HydrophobicContact CB-CG1 3.68Å; V912-V932 HydrophobicContact CG1-CG1 3.77Å; V912-V932 HydrophobicContact CG1-CG2 4.1Å; V912-V932 HydrophobicContact CG2-CG1 3.89Å
913L89.8Confident88Confident1 Ų175.8 Ų75.81%0.00539%0.389CS..Hα-helixtrans-58.2-38.9178.4-69.1177.4000112.3V891 P893 L898 V909 V910 A915 L916 L930 V932 A942V891-L913 HydrophobicContact CG1-CB 4.29Å; V891-L913 HydrophobicContact CG1-CD2 4.12Å; P893-L913 HydrophobicContact CB-CD1 4.05Å; P893-L913 HydrophobicContact CG-CD1 4.08Å; L898-L913 HydrophobicContact CD1-CD1 4.28Å; V909-L913 HydrophobicContact CG1-CD1 4.06Å; V909-L913 HydrophobicContact CG1-CG 4.26Å; V909-L913 VanDerWaalsContact O-CG 3.32Å; V909-L913 WeakPolarHBondContact O-CG 3.47Å; V909-L913 PolarHBondContact O-N 3.2Å; V910-L913 PolarHBondContact O-N 2.82Å; L913-A915 VanDerWaalsContact C-N 3.33Å; L913-L916 HydrophobicContact CD2-CD1 4.13Å; L913-L916 WeakPolarHBondContact O-CD1 3.35Å; L913-L916 WeakPolarHBondContact O-CG 3.1Å; L913-L930 HydrophobicContact CD2-CD2 3.59Å; L913-V932 HydrophobicContact CD2-CG2 4.35Å; L913-A942 HydrophobicContact CD1-CB 4.15Å
914K87.5Confident88Confident140 Ų14068.3 Ų68.361%0.60936%0.356SS*.Hα-helixtrans-73.2-22.3177.6-74.2-179.3177.8-178.20114V910 A911 V912V910-K914 HydrophobicContact CG1-CD 4.21Å; V910-K914 WeakPolarHBondContact O-CG 3.43Å; V910-K914 PolarHBondContact O-N 3.45Å; A911-K914 PolarHBondContact O-N 2.79Å; V912-K914 VanDerWaalsContact C-N 3.27Å; V912-K914 PolarHBondContact O-N 2.97Å
915A88.1Confident87.8Confident82 Ų8260.5 Ų60.568%0.67832%0.324SS*.THydrogen-bonded Turntrans-96.12.9-178.200000113.6A911 V912 L913 S917A911-A915 WeakPolarHBondContact O-CB 3.33Å; A911-A915 PolarHBondContact O-N 2.96Å; V912-A915 PolarHBondContact O-N 3.22Å; V912-A915 VanDerWaalsContact O-N 3.07Å; L913-A915 VanDerWaalsContact C-N 3.33Å; A915-S917 PolarHBondContact O-N 2.8Å
916L87.7Confident87.6Confident23 Ų2368.9 Ų68.912%0.1235%0.352CS..  trans-62.1136.5179.7-67.6169.7000111.5V891 V912 L913 Q920 I921 L930V891-L916 HydrophobicContact CB-CD1 4.37Å; V891-L916 HydrophobicContact CG2-CD1 3.84Å; V912-L916 WeakPolarHBondContact O-CG 3.4Å; V912-L916 PolarHBondContact O-N 2.88Å; L913-L916 HydrophobicContact CD2-CD1 4.13Å; L913-L916 WeakPolarHBondContact O-CD1 3.35Å; L913-L916 WeakPolarHBondContact O-CG 3.1Å; L916-Q920 HydrophobicContact CB-CB 4.38Å; L916-Q920 HydrophobicContact CD2-CB 4.05Å; L916-I921 HydrophobicContact CB-CD1 4.17Å; L916-I921 HydrophobicContact CB-CG1 3.66Å; L916-I921 HydrophobicContact CD1-CG1 4.31Å; L916-L930 HydrophobicContact CD1-CD2 3.51Å; L916-L930 HydrophobicContact CD2-CD1 4.36Å; L916-L930 HydrophobicContact CD2-CD2 3.98Å; L916-L930 HydrophobicContact CG-CD2 4.35Å
917S86.7Confident87.5Confident55 Ų5573.6 Ų73.639%0.38537%0.371SS..  trans-70.6154.716964.10000111.2A915 Q919 Q920 I921A915-S917 PolarHBondContact O-N 2.8Å; S917-Q919 PolarHBondContact O-N 2.89Å; S917-Q919 VanDerWaalsContact O-N 3.17Å; S917-Q920 WeakPolarHBondContact O-CB 3.49Å; S917-Q920 PolarHBondContact O-N 3.32Å; S917-Q920 VanDerWaalsContact OG-CD 3.3Å; S917-Q920 VanDerWaalsContact OG-CG 3.29Å; S917-Q920 WeakPolarHBondContact OG-CG 3.33Å; S917-Q920 PolarHBondContact OG-OE1 3.04Å; S917-I921 WeakPolarHBondContact O-CG1 3.43Å; S917-I921 PolarHBondContact O-N 3.05Å
918E83.3Confident87.2Confident85 Ų8570.2 Ų70.240%0.39735%0.353SS..Hα-helixtrans-57.6-34-178.2-169.1156.7-146.800113L889 I921 L922L889-E918 HydrophobicContact CB-CG 4.33Å; L889-E918 HydrophobicContact CD1-CG 4.17Å; L889-E918 PolarHBondContact N-OE1 3.45Å; E918-I921 PolarHBondContact O-N 2.75Å; E918-L922 WeakPolarHBondContact O-CG 3.25Å; E918-L922 PolarHBondContact O-N 3.4Å
919Q84.7Confident87.1Confident163 Ų16368.6 Ų68.676%0.76235%0.352SS*.Hα-helixtrans-63.4-43.4172.6-75.8-178.2-9.600112.6S917 I921 L922 E923S917-Q919 PolarHBondContact O-N 2.89Å; S917-Q919 VanDerWaalsContact O-N 3.17Å; Q919-I921 VanDerWaalsContact C-N 3.3Å; Q919-I921 PolarHBondContact O-N 2.9Å; Q919-L922 PolarHBondContact O-N 3.37Å; Q919-E923 WeakPolarHBondContact O-CB 3.25Å; Q919-E923 PolarHBondContact O-N 2.8Å
920Q87.5Confident87.1Confident84 Ų8469.8 Ų69.839%0.39336%0.358SS..Hα-helixtrans-66.9-34.7177.6-69.7168.2-51.500111.7L916 S917 E923 F924L916-Q920 HydrophobicContact CB-CB 4.38Å; L916-Q920 HydrophobicContact CD2-CB 4.05Å; S917-Q920 WeakPolarHBondContact O-CB 3.49Å; S917-Q920 PolarHBondContact O-N 3.32Å; S917-Q920 VanDerWaalsContact OG-CD 3.3Å; S917-Q920 VanDerWaalsContact OG-CG 3.29Å; S917-Q920 WeakPolarHBondContact OG-CG 3.33Å; S917-Q920 PolarHBondContact OG-OE1 3.04Å; Q920-E923 PolarHBondContact O-N 2.78Å; Q920-F924 WeakPolarHBondContact O-CB 3.37Å; Q920-F924 PolarHBondContact O-N 3.22Å
921I88.3Confident87Confident5 Ų578.9 Ų78.93%0.02639%0.391CS..Hα-helixtrans-67.3-44.2176.4-59.6175.8000110.6L889 V891 L916 S917 E918 Q919 E923 F924 D925 V944L889-I921 HydrophobicContact CB-CB 4.44Å; L889-I921 HydrophobicContact CB-CD1 4.37Å; L889-I921 HydrophobicContact CB-CG2 3.93Å; L889-I921 WeakPolarHBondContact O-CD1 3.49Å; V891-I921 HydrophobicContact CG2-CB 4.29Å; V891-I921 HydrophobicContact CG2-CD1 4.18Å; V891-I921 HydrophobicContact CG2-CG1 3.79Å; V891-I921 HydrophobicContact CG2-CG2 3.77Å; L916-I921 HydrophobicContact CB-CD1 4.17Å; L916-I921 HydrophobicContact CB-CG1 3.66Å; L916-I921 HydrophobicContact CD1-CG1 4.31Å; S917-I921 WeakPolarHBondContact O-CG1 3.43Å; S917-I921 PolarHBondContact O-N 3.05Å; E918-I921 PolarHBondContact O-N 2.75Å; Q919-I921 VanDerWaalsContact C-N 3.3Å; Q919-I921 PolarHBondContact O-N 2.9Å; I921-E923 VanDerWaalsContact C-N 3.31Å; I921-E923 PolarHBondContact O-N 2.84Å; I921-F924 PolarHBondContact O-N 2.93Å; I921-D925 PolarHBondContact O-N 2.97Å; I921-V944 HydrophobicContact CG2-CB 4.32Å; I921-V944 HydrophobicContact CG2-CG1 3.54Å; I921-V944 HydrophobicContact CG2-CG2 3.83Å
922L84.9Confident86.8Confident76 Ų7676.3 Ų76.340%0.39837%0.369SS..Hα-helixtrans-62.3-39.4174.6-75.4169.1000112.1L889 E918 Q919 D925 R926L889-L922 HydrophobicContact CD1-CD1 4.45Å; L889-L922 HydrophobicContact CD1-CD2 3.5Å; L889-L922 HydrophobicContact CD1-CG 3.69Å; E918-L922 WeakPolarHBondContact O-CG 3.25Å; E918-L922 PolarHBondContact O-N 3.4Å; Q919-L922 PolarHBondContact O-N 3.37Å; L922-D925 PolarHBondContact O-N 2.92Å; L922-R926 WeakPolarHBondContact O-CB 3.35Å; L922-R926 PolarHBondContact O-N 2.94Å
923E86Confident86.5Confident96 Ų9676.3 Ų76.345%0.44938%0.379SS..Hα-helixtrans-66-41.8175.7-170.1176.5-170.400111.7Q919 Q920 I921 R926 K927Q919-E923 WeakPolarHBondContact O-CB 3.25Å; Q919-E923 PolarHBondContact O-N 2.8Å; Q920-E923 PolarHBondContact O-N 2.78Å; I921-E923 VanDerWaalsContact C-N 3.31Å; I921-E923 PolarHBondContact O-N 2.84Å; E923-R926 PolarHBondContact O-N 3.26Å; E923-K927 HydrophobicContact CG-CD 3.89Å; E923-K927 HydrophobicContact CG-CG 4.32Å; E923-K927 WeakPolarHBondContact O-CB 3.48Å; E923-K927 PolarHBondContact O-N 2.82Å; E923-K927 VanDerWaalsContact OE1-CE 3.23Å; E923-K927 WeakPolarHBondContact OE1-CE 3.43Å; E923-K927 IonicContact OE1-NZ 3.2Å; E923-K927 PolarHBondContact OE1-NZ 3.16Å
924F87.6Confident86.3Confident3 Ų385.3 Ų85.31%0.01341%0.412CS..Hα-helixtrans-61-45.9173.6173.5-124.6000111.7V891 Q920 I921 R926 K927 G928 L930 A942 V944V891-F924 HydrophobicContact CG1-CE1 4.4Å; V891-F924 HydrophobicContact CG2-CD1 4.3Å; Q920-F924 WeakPolarHBondContact O-CB 3.37Å; Q920-F924 PolarHBondContact O-N 3.22Å; I921-F924 PolarHBondContact O-N 2.93Å; F924-R926 VanDerWaalsContact C-N 3.26Å; F924-R926 PolarHBondContact O-N 3.39Å; F924-K927 PolarHBondContact O-N 3.02Å; F924-G928 WeakPolarHBondContact O-CA 3.16Å; F924-G928 PolarHBondContact O-N 3.48Å; F924-L930 HydrophobicContact CB-CB 4.37Å; F924-L930 HydrophobicContact CD2-CB 3.42Å; F924-L930 VanDerWaalsContact CD2-CB 3.42Å; F924-L930 HydrophobicContact CE2-CB 3.86Å; F924-L930 HydrophobicContact CG-CB 4.02Å; F924-A942 HydrophobicContact CE1-CB 4.06Å; F924-A942 WeakPolarHBondContact CE1-O 3.28Å; F924-A942 HydrophobicContact CZ-CB 4.06Å; F924-V944 HydrophobicContact CD1-CG2 3.85Å; F924-V944 HydrophobicContact CE1-CG2 4.22Å
925D83.9Confident86.4Confident32 Ų3280.5 Ų80.517%0.17139%0.391CS..Hα-helixtrans-62.6-35.6179.3-16419.3000112.1I921 L922 K939 V944 R965I921-D925 PolarHBondContact O-N 2.97Å; L922-D925 PolarHBondContact O-N 2.92Å; D925-K939 PolarHBondContact O-NZ 3.25Å; D925-K939 IonicContact OD1-NZ 3.33Å; D925-K939 PolarHBondContact OD1-NZ 3.27Å; D925-V944 HydrophobicContact CB-CG2 4.05Å; D925-R965 IonicContact OD2-CZ 2.79Å; D925-R965 IonicContact OD2-NE 2.63Å; D925-R965 PolarHBondContact OD2-NE 3.32Å; D925-R965 IonicContact OD2-NH2 3.66Å; D925-R965 PolarHBondContact OD2-NH2 3.13Å
926R84.4Confident86.5Confident229 Ų22979.7 Ų79.786%0.86438%0.378SS*.Hα-helixtrans-75.8-43.6177.9-174.2179.3176-177.8-0.5113.2L922 E923 F924L922-R926 WeakPolarHBondContact O-CB 3.35Å; L922-R926 PolarHBondContact O-N 2.94Å; E923-R926 PolarHBondContact O-N 3.26Å; F924-R926 VanDerWaalsContact C-N 3.26Å; F924-R926 PolarHBondContact O-N 3.39Å
927K86.4Confident86.5Confident133 Ų13378.6 Ų78.658%0.57837%0.372SS*.Hα-helixtrans-84.4-22.7-176.8-71.1-174.6175.3175.10113E923 F924 I929E923-K927 HydrophobicContact CG-CD 3.89Å; E923-K927 HydrophobicContact CG-CG 4.32Å; E923-K927 WeakPolarHBondContact O-CB 3.48Å; E923-K927 PolarHBondContact O-N 2.82Å; E923-K927 VanDerWaalsContact OE1-CE 3.23Å; E923-K927 WeakPolarHBondContact OE1-CE 3.43Å; E923-K927 IonicContact OE1-NZ 3.2Å; E923-K927 PolarHBondContact OE1-NZ 3.16Å; F924-K927 PolarHBondContact O-N 3.02Å; K927-I929 HydrophobicContact CB-CG1 4.29Å; K927-I929 PolarHBondContact O-N 2.67Å
928G85.2Confident86.6Confident20 Ų2080.8 Ų80.821%0.20638%0.376CS..SBendtrans72.6-2.6-175.400000114.8F924 K939F924-G928 WeakPolarHBondContact O-CA 3.16Å; F924-G928 PolarHBondContact O-N 3.48Å; G928-K939 PolarHBondContact O-N 2.95Å
929I88.9Confident86.6Confident95 Ų9582.2 Ų82.249%0.48738%0.381SS..EExtended strand (participates in β ladder)trans-135.8138.8-179.156.7171000110.9K927 T936 I937 E938K927-I929 HydrophobicContact CB-CG1 4.29Å; K927-I929 PolarHBondContact O-N 2.67Å; I929-T936 HydrophobicContact CB-CG2 4.16Å; I929-T936 HydrophobicContact CG2-CG2 4.27Å; I929-I937 CarbonylContact C-O 3.57Å; I929-I937 WeakPolarHBondContact CA-O 3.47Å; I929-E938 HydrophobicContact CG2-CG 4.35Å
930L89Confident86.6Confident25 Ų2581.6 Ų81.613%0.13138%0.378CS..EExtended strand (participates in β ladder)trans-130.2131.6174.9179.473.6000109.8L913 L916 F924 V932 I937L913-L930 HydrophobicContact CD2-CD2 3.59Å; L916-L930 HydrophobicContact CD1-CD2 3.51Å; L916-L930 HydrophobicContact CD2-CD1 4.36Å; L916-L930 HydrophobicContact CD2-CD2 3.98Å; L916-L930 HydrophobicContact CG-CD2 4.35Å; F924-L930 HydrophobicContact CB-CB 4.37Å; F924-L930 HydrophobicContact CD2-CB 3.42Å; F924-L930 VanDerWaalsContact CD2-CB 3.42Å; F924-L930 HydrophobicContact CE2-CB 3.86Å; F924-L930 HydrophobicContact CG-CB 4.02Å; L930-V932 HydrophobicContact CD2-CG2 3.85Å; L930-V932 HydrophobicContact CG-CG2 4.08Å; L930-I937 PolarHBondContact N-O 3.2Å; L930-I937 PolarHBondContact O-N 2.9Å
931R87.5Confident86.5Confident206 Ų20678.5 Ų78.578%0.77736%0.363SS*.EExtended strand (participates in β ladder)trans-92.4115.4177.3-159.1171.8-179171.31.1110
932V85Confident86.4Confident3 Ų378.3 Ų78.32%0.01836%0.362CS..EExtended strand (participates in β ladder)trans-115.293.7178.1179.40000108.7Y908 V909 V912 L913 L930 R934 Y935 I937Y908-V932 HydrophobicContact CE1-CG1 4.01Å; V909-V932 HydrophobicContact CB-CG1 4.37Å; V909-V932 HydrophobicContact CG1-CG1 4.31Å; V909-V932 HydrophobicContact CG2-CG1 4.05Å; V912-V932 HydrophobicContact CB-CG1 3.68Å; V912-V932 HydrophobicContact CG1-CG1 3.77Å; V912-V932 HydrophobicContact CG1-CG2 4.1Å; V912-V932 HydrophobicContact CG2-CG1 3.89Å; L913-V932 HydrophobicContact CD2-CG2 4.35Å; L930-V932 HydrophobicContact CD2-CG2 3.85Å; L930-V932 HydrophobicContact CG-CG2 4.08Å; V932-R934 PolarHBondContact O-N 2.78Å; V932-Y935 PolarHBondContact N-O 3.13Å; V932-Y935 PolarHBondContact O-N 3.45Å; V932-I937 HydrophobicContact CB-CG1 4.29Å; V932-I937 HydrophobicContact CG2-CG1 3.88Å
933G83.5Confident86.5Confident47 Ų4777.4 Ų77.449%0.48536%0.363SS..THydrogen-bonded Turntrans60.7-117.9-172.700000111.6
934R86.7Confident86.6Confident189 Ų18973.7 Ų73.771%0.71335%0.347SS*.THydrogen-bonded Turntrans-84.9-7.5175.768.8177.5175.8-169.6-5.5114.4D905 V932D905-R934 IonicContact OD2-CZ 2.74Å; D905-R934 IonicContact OD2-NH2 3.17Å; D905-R934 PolarHBondContact OD2-NH2 2.95Å; V932-R934 PolarHBondContact O-N 2.78Å
935Y88.4Confident86.7Confident40 Ų4075.6 Ų75.616%0.15736%0.355CS..EExtended strand (participates in β ladder)trans-99.8138.6-174.9-60.5-65.4000111.4L902 D905 V909 V932L902-Y935 HydrophobicContact CD2-CD1 3.57Å; L902-Y935 HydrophobicContact CD2-CD2 4.27Å; L902-Y935 HydrophobicContact CD2-CE1 3.73Å; L902-Y935 HydrophobicContact CD2-CE2 4.4Å; L902-Y935 HydrophobicContact CD2-CG 3.86Å; D905-Y935 HydrophobicContact CB-CE2 3.84Å; D905-Y935 PolarHBondContact OD2-OH 3.14Å; V909-Y935 HydrophobicContact CG2-CD2 3.84Å; V909-Y935 HydrophobicContact CG2-CE2 4.49Å; V932-Y935 PolarHBondContact N-O 3.13Å; V932-Y935 PolarHBondContact O-N 3.45Å
936T90.2Very high87Confident65 Ų6574.7 Ų74.740%0.39935%0.349SS..EExtended strand (participates in β ladder)trans-95.3126.8162.8-53.90000107.4R901 I929R901-T936 PolarHBondContact NH2-O 3.31Å; I929-T936 HydrophobicContact CB-CG2 4.16Å; I929-T936 HydrophobicContact CG2-CG2 4.27Å
937I89.4Confident87.1Confident0 Ų065.7 Ų65.70%032%0.319CS..EExtended strand (participates in β ladder)trans-103.4125.5174.2-52-54.8000107.4L898 L902 V909 I929 L930 V932 E941 A942L898-I937 HydrophobicContact CD2-CD1 4.04Å; L902-I937 HydrophobicContact CD1-CD1 4.45Å; V909-I937 HydrophobicContact CG1-CD1 3.59Å; V909-I937 HydrophobicContact CG1-CG1 4.05Å; I929-I937 CarbonylContact C-O 3.57Å; I929-I937 WeakPolarHBondContact CA-O 3.47Å; L930-I937 PolarHBondContact N-O 3.2Å; L930-I937 PolarHBondContact O-N 2.9Å; V932-I937 HydrophobicContact CB-CG1 4.29Å; V932-I937 HydrophobicContact CG2-CG1 3.88Å; I937-E941 WeakPolarHBondContact CA-OE2 3.33Å; I937-E941 HydrophobicContact CG2-CB 4Å; I937-A942 HydrophobicContact CG2-CB 3.9Å
938E88.5Confident87.1Confident101 Ų10160.6 Ų60.647%0.47230%0.299SS..EExtended strand (participates in β ladder)trans-98162.4179.4-61.7-176.4179.700111.2I929 E940 E941 A942I929-E938 HydrophobicContact CG2-CG 4.35Å; E938-E940 PolarHBondContact O-N 3.07Å; E938-E940 VanDerWaalsContact O-N 3.07Å; E938-E941 PolarHBondContact N-OE2 2.57Å; E938-E941 WeakPolarHBondContact O-CB 3.25Å; E938-E941 PolarHBondContact O-N 2.64Å; E938-A942 PolarHBondContact O-N 3.11Å
939K82.9Confident86.5Confident114 Ų11463 Ų6350%0.49631%0.309SS..THydrogen-bonded Turntrans-57.4-22.9-178.2-166166.2-171.11510114.3D925 G928 A942D925-K939 PolarHBondContact O-NZ 3.25Å; D925-K939 IonicContact OD1-NZ 3.33Å; D925-K939 PolarHBondContact OD1-NZ 3.27Å; G928-K939 PolarHBondContact O-N 2.95Å; K939-A942 VanDerWaalsContact O-O 3.04Å
940E83.6Confident85.4Confident150 Ų15059.3 Ų59.370%0.70130%0.295SS*.THydrogen-bonded Turntrans-77.1-26.2176.4-62.5173.9-176.800112.4N894 L897 E938N894-E940 PolarHBondContact ND2-O 2.9Å; L897-E940 WeakPolarHBondContact CD1-O 3.46Å; E938-E940 PolarHBondContact O-N 3.07Å; E938-E940 VanDerWaalsContact O-N 3.07Å
941E85.7Confident84Confident19 Ų1962.4 Ų62.49%0.08931%0.314CS..THydrogen-bonded Turntrans-91.9-15.9-176.6-58.5-173.1112.600113.2N894 L898 R901 I937 E938N894-E941 VanDerWaalsContact CB-O 3.25Å; N894-E941 WeakPolarHBondContact CB-O 3.47Å; N894-E941 PolarHBondContact N-O 3.17Å; L898-E941 WeakPolarHBondContact CD1-O 3.28Å; L898-E941 HydrophobicContact CD2-CB 3.85Å; L898-E941 HydrophobicContact CD2-CG 4.46Å; L898-E941 HydrophobicContact CG-CB 4.25Å; R901-E941 IonicContact CZ-OE1 3.29Å; R901-E941 VanDerWaalsContact CZ-OE1 3.23Å; R901-E941 IonicContact CZ-OE2 2.6Å; R901-E941 IonicContact NE-OE1 3.68Å; R901-E941 PolarHBondContact NE-OE1 3.04Å; R901-E941 IonicContact NE-OE2 2.68Å; R901-E941 VanDerWaalsContact NH2-CD 3.27Å; R901-E941 IonicContact NH2-OE1 3.01Å; R901-E941 PolarHBondContact NH2-OE1 2.62Å; R901-E941 IonicContact NH2-OE2 3.86Å; R901-E941 PolarHBondContact NH2-OE2 3.36Å; I937-E941 WeakPolarHBondContact CA-OE2 3.33Å; I937-E941 HydrophobicContact CG2-CB 4Å; E938-E941 PolarHBondContact N-OE2 2.57Å; E938-E941 WeakPolarHBondContact O-CB 3.25Å; E938-E941 PolarHBondContact O-N 2.64Å
942A87Confident82.8Confident1 Ų160.5 Ų60.51%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-151.6130.2175.500000111V891 E892 L913 F924 I937 E938 K939V891-A942 HydrophobicContact CG1-CB 3.63Å; E892-A942 WeakPolarHBondContact O-CA 3.44Å; L913-A942 HydrophobicContact CD1-CB 4.15Å; F924-A942 HydrophobicContact CE1-CB 4.06Å; F924-A942 WeakPolarHBondContact CE1-O 3.28Å; F924-A942 HydrophobicContact CZ-CB 4.06Å; I937-A942 HydrophobicContact CG2-CB 3.9Å; E938-A942 PolarHBondContact O-N 3.11Å; K939-A942 VanDerWaalsContact O-O 3.04Å
943S86.7Confident82Confident58 Ų5867.6 Ų67.641%0.40635%0.347SS..EExtended strand (participates in β ladder)trans-105.5146.7-179.659.30000111.5V891 E892V891-S943 CarbonylContact C-O 3.41Å; V891-S943 WeakPolarHBondContact CA-O 3.29Å; E892-S943 PolarHBondContact N-O 2.98Å; E892-S943 PolarHBondContact O-N 3.29Å
944V88.5Confident81.6Confident18 Ų1867.1 Ų67.111%0.10933%0.333CS..EExtended strand (participates in β ladder)trans-94.6128.4176.1177.60000109L889 V891 I921 F924 D925 G964L889-V944 HydrophobicContact CD2-CG1 3.69Å; V891-V944 HydrophobicContact CG2-CG2 4.27Å; I921-V944 HydrophobicContact CG2-CB 4.32Å; I921-V944 HydrophobicContact CG2-CG1 3.54Å; I921-V944 HydrophobicContact CG2-CG2 3.83Å; F924-V944 HydrophobicContact CD1-CG2 3.85Å; F924-V944 HydrophobicContact CE1-CG2 4.22Å; D925-V944 HydrophobicContact CB-CG2 4.05Å; V944-G964 WeakPolarHBondContact O-CA 3.33Å
945K89.9Confident80.9Confident43 Ų4363.4 Ų63.419%0.18732%0.322CS..EExtended strand (participates in β ladder)trans-139.9159.4176.772.6178.8-177.1-175.70113.8A890 E892 V947 G964A890-K945 PolarHBondContact N-O 2.92Å; A890-K945 PolarHBondContact O-N 3.49Å; E892-K945 HydrophobicContact CB-CD 4.28Å; E892-K945 IonicContact OE1-NZ 3.21Å; E892-K945 PolarHBondContact OE1-NZ 2.92Å; E892-K945 WeakPolarHBondContact OE2-CD 3.47Å; E892-K945 VanDerWaalsContact OE2-CE 3.28Å; E892-K945 WeakPolarHBondContact OE2-CE 3.4Å; E892-K945 IonicContact OE2-NZ 2.71Å; E892-K945 PolarHBondContact OE2-NZ 3.23Å; K945-V947 HydrophobicContact CG-CG1 4.28Å; K945-G964 CarbonylContact C-O 3.54Å; K945-G964 WeakPolarHBondContact CA-O 3.3Å
946Y89.4Confident80.3Confident13 Ų1369 Ų695%0.05135%0.35CS..EExtended strand (participates in β ladder)trans-77.7141.7168.8-80.4-25.1000112.2P852 T882 V887 R888 L889 S962 G964 R965 I967P852-Y946 WeakPolarHBondContact CD-OH 3.32Å; T882-Y946 HydrophobicContact CG2-CE1 4.19Å; T882-Y946 HydrophobicContact CG2-CE2 4.07Å; V887-Y946 HydrophobicContact CG1-CD1 3.81Å; V887-Y946 HydrophobicContact CG1-CD2 3.93Å; V887-Y946 HydrophobicContact CG1-CE1 4.47Å; V887-Y946 HydrophobicContact CG1-CG 3.54Å; R888-Y946 WeakPolarHBondContact O-CA 3.34Å; L889-Y946 HydrophobicContact CD2-CD1 3.51Å; L889-Y946 HydrophobicContact CD2-CE1 3.35Å; L889-Y946 HydrophobicContact CG-CD1 4.03Å; L889-Y946 HydrophobicContact CG-CE1 3.75Å; Y946-S962 WeakPolarHBondContact O-CB 3.48Å; Y946-S962 PolarHBondContact O-OG 2.66Å; Y946-G964 PolarHBondContact N-O 3.07Å; Y946-R965 VanDerWaalsContact CD2-C 3.5Å; Y946-R965 HydrophobicContact CD2-CB 4.38Å; Y946-R965 WeakPolarHBondContact CD2-O 3.27Å; Y946-R965 HydrophobicContact CE2-CB 4.05Å; Y946-R965 WeakPolarHBondContact CE2-O 3.44Å; Y946-I967 HydrophobicContact CD2-CB 4.41Å; Y946-I967 HydrophobicContact CD2-CG2 3.93Å; Y946-I967 HydrophobicContact CG-CG2 4.45Å
947V86.9Confident80Confident39 Ų3969.5 Ų69.524%0.23635%0.347CS..EExtended strand (participates in β ladder)trans-136.8146175.7-69.30000110.6V887 R888 A890 K945 T949V887-V947 WeakPolarHBondContact CA-O 3.47Å; R888-V947 PolarHBondContact N-O 2.65Å; R888-V947 WeakPolarHBondContact O-CG2 3.49Å; R888-V947 PolarHBondContact O-N 2.95Å; A890-V947 HydrophobicContact CB-CB 4.38Å; A890-V947 HydrophobicContact CB-CG1 3.92Å; A890-V947 HydrophobicContact CB-CG2 3.49Å; A890-V947 VanDerWaalsContact CB-CG2 3.49Å; K945-V947 HydrophobicContact CG-CG1 4.28Å; V947-T949 HydrophobicContact CG2-CG2 3.8Å; V947-T949 PolarHBondContact O-N 2.72Å
948L85.6Confident79.9Confident27 Ų2769.7 Ų69.714%0.14135%0.347CS..EExtended strand (participates in β ladder)trans-81.2113.3175.8-173.267.1000110.1W885 V887 K955 A960 L969W885-L948 WeakPolarHBondContact O-CD1 3.47Å; V887-L948 HydrophobicContact CG2-CD1 4.44Å; L948-K955 HydrophobicContact CD2-CG 4.07Å; L948-A960 HydrophobicContact CB-CB 3.9Å; L948-A960 HydrophobicContact CD2-CB 4.1Å; L948-L969 HydrophobicContact CD1-CD2 3.93Å; L948-L969 HydrophobicContact CD2-CD2 3.93Å; L948-L969 HydrophobicContact CG-CD2 4.38Å
949T74.2Confident79.9Confident69 Ų6966.5 Ų66.542%0.42333%0.332SS..  trans-126.73.1-173.247.30000114.9G886 R888 V947G886-T949 PolarHBondContact O-N 3.18Å; G886-T949 PolarHBondContact O-OG1 2.8Å; R888-T949 WeakPolarHBondContact CB-OG1 3.49Å; R888-T949 WeakPolarHBondContact CD-OG1 3.42Å; R888-T949 VanDerWaalsContact CG-OG1 3.29Å; R888-T949 WeakPolarHBondContact CG-OG1 3.14Å; V947-T949 HydrophobicContact CG2-CG2 3.8Å; V947-T949 PolarHBondContact O-N 2.72Å
950G63.9Low80.3Confident18 Ų1861.9 Ų61.919%0.18632%0.316CS..SBendtrans-114.3150.5-178.900000115.8G886G886-G950 PolarHBondContact O-N 3.02Å; G886-G950 VanDerWaalsContact O-N 3.17Å
951V60Low80.8Confident90 Ų9056.5 Ų56.555%0.54529%0.292SS..  trans41.7116.3171.9-158.10000116.4E953 L954 K955V951-E953 HydrophobicContact CG1-CB 4.02Å; V951-E953 HydrophobicContact CG1-CG 4.2Å; V951-E953 PolarHBondContact O-N 2.94Å; V951-E953 VanDerWaalsContact O-N 3.08Å; V951-L954 HydrophobicContact CB-CD1 4.4Å; V951-L954 PolarHBondContact O-N 3.48Å; V951-K955 PolarHBondContact O-N 3.34Å
952E63.8Low81.1Confident167 Ų16756.5 Ų56.578%0.7829%0.294SS*.Hα-helixtrans-49.7-38.4178.5-75.1-177.3157.500112.7L954 K955 E956E952-L954 VanDerWaalsContact C-N 3.31Å; E952-L954 PolarHBondContact O-N 3.04Å; E952-K955 PolarHBondContact O-N 3.34Å; E952-E956 PolarHBondContact O-N 2.69Å
953E67.1Low81.1Confident151 Ų15160 Ų6071%0.70631%0.313SS*.Hα-helixtrans-56.4-38.4175.5-61.1176.9170.200113.8V951 K957V951-E953 HydrophobicContact CG1-CB 4.02Å; V951-E953 HydrophobicContact CG1-CG 4.2Å; V951-E953 PolarHBondContact O-N 2.94Å; V951-E953 VanDerWaalsContact O-N 3.08Å; E953-K957 WeakPolarHBondContact O-CB 3.38Å; E953-K957 PolarHBondContact O-N 2.89Å
954L74.7Confident81.2Confident37 Ų3758.5 Ų58.519%0.19431%0.306CS..Hα-helixtrans-72.9-33.7177-77.1170.5000111.6W885 V951 E952 K957 Y958W885-L954 HydrophobicContact CE3-CD2 4.29Å; W885-L954 HydrophobicContact CZ3-CD2 4.33Å; V951-L954 HydrophobicContact CB-CD1 4.4Å; V951-L954 PolarHBondContact O-N 3.48Å; E952-L954 VanDerWaalsContact C-N 3.31Å; E952-L954 PolarHBondContact O-N 3.04Å; L954-K957 PolarHBondContact O-N 3.12Å; L954-Y958 HydrophobicContact CD2-CD2 3.94Å; L954-Y958 HydrophobicContact CD2-CE2 4.02Å; L954-Y958 WeakPolarHBondContact O-CA 3.23Å; L954-Y958 WeakPolarHBondContact O-CB 3.44Å; L954-Y958 PolarHBondContact O-N 3.14Å
955K73.2Confident81.2Confident111 Ų11161.7 Ų61.748%0.48332%0.316SS..Hα-helixtrans-74.1-29.9177.3-72.8-175.7176.2178.90113L948 V951 E952L948-K955 HydrophobicContact CD2-CG 4.07Å; V951-K955 PolarHBondContact O-N 3.34Å; E952-K955 PolarHBondContact O-N 3.34Å
956E75.2Confident81.3Confident159 Ų15960.2 Ų60.274%0.74331%0.31SS*.Hα-helixtrans-70.1-38173.2-73.2-170162.100111.5E952E952-E956 PolarHBondContact O-N 2.69Å
957K83Confident81.5Confident74 Ų7459.6 Ų59.632%0.32231%0.308SS..Hα-helixtrans-84.4-40.1-177.6-177162.5-171.9166.30114.1R846 E953 L954 D971 V972R846-K957 VanDerWaalsContact NH2-NZ 3.17Å; E953-K957 WeakPolarHBondContact O-CB 3.38Å; E953-K957 PolarHBondContact O-N 2.89Å; L954-K957 PolarHBondContact O-N 3.12Å; K957-D971 WeakPolarHBondContact CE-OD2 3.43Å; K957-D971 IonicContact NZ-OD2 2.64Å; K957-V972 WeakPolarHBondContact O-CG2 3.4Å; K957-V972 PolarHBondContact O-N 3.08Å
958Y87.7Confident81.9Confident4 Ų457.8 Ų57.82%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-117132.9-174-65.4-83.4000111.9R846 I848 W885 L954 L969 L970 D971R846-Y958 HydrophobicContact CG-CE1 4.37Å; R846-Y958 PolarHBondContact NE-OH 2.86Å; R846-Y958 PolarHBondContact NH2-OH 3.17Å; I848-Y958 HydrophobicContact CD1-CD1 4.3Å; I848-Y958 HydrophobicContact CD1-CE1 3.55Å; I848-Y958 HydrophobicContact CD1-CE2 4.39Å; I848-Y958 WeakPolarHBondContact CD1-OH 3.5Å; W885-Y958 HydrophobicContact CZ3-CE2 4.31Å; L954-Y958 HydrophobicContact CD2-CD2 3.94Å; L954-Y958 HydrophobicContact CD2-CE2 4.02Å; L954-Y958 WeakPolarHBondContact O-CA 3.23Å; L954-Y958 WeakPolarHBondContact O-CB 3.44Å; L954-Y958 PolarHBondContact O-N 3.14Å; Y958-L969 HydrophobicContact CD1-CB 3.98Å; Y958-L969 HydrophobicContact CG-CB 4.32Å; Y958-L970 WeakPolarHBondContact CA-O 3.27Å; Y958-D971 HydrophobicContact CD1-CB 4.14Å; Y958-D971 HydrophobicContact CE1-CB 3.73Å
959E89.7Confident82.2Confident34 Ų3456.6 Ų56.616%0.15929%0.29CS..EExtended strand (participates in β ladder)trans-99.2142.1163.8-174.667.4-165.600109.1I832 R835 K836 L970 V972I832-E959 HydrophobicContact CB-CG 4.45Å; I832-E959 HydrophobicContact CG1-CG 4.42Å; I832-E959 HydrophobicContact CG2-CB 3.56Å; I832-E959 HydrophobicContact CG2-CG 3.57Å; R835-E959 VanDerWaalsContact CD-OE1 3.3Å; R835-E959 WeakPolarHBondContact CD-OE1 3.31Å; R835-E959 IonicContact CZ-OE1 3.82Å; R835-E959 IonicContact NE-OE1 2.79Å; R835-E959 IonicContact NH1-OE1 3.94Å; R835-E959 PolarHBondContact NH1-OE1 3.11Å; K836-E959 VanDerWaalsContact CE-CG 3.5Å; K836-E959 WeakPolarHBondContact CE-OE2 3.24Å; K836-E959 HydrophobicContact CG-CB 4.33Å; K836-E959 HydrophobicContact CG-CG 4.11Å; K836-E959 IonicContact NZ-OE2 2.98Å; K836-E959 PolarHBondContact NZ-OE2 3.29Å; E959-L970 PolarHBondContact N-O 3.25Å; E959-L970 VanDerWaalsContact N-O 3.1Å; E959-L970 PolarHBondContact O-N 3.12Å; E959-V972 HydrophobicContact CB-CG1 3.98Å
960A91.4Very high83.1Confident18 Ų1853.3 Ų53.315%0.14927%0.27CS..EExtended strand (participates in β ladder)trans-121.7147.6-172.600000112.6R835 L948 I967 V968 L969R835-A960 PolarHBondContact NH1-O 3.31Å; R835-A960 VanDerWaalsContact NH1-O 3.07Å; L948-A960 HydrophobicContact CB-CB 3.9Å; L948-A960 HydrophobicContact CD2-CB 4.1Å; A960-I967 HydrophobicContact CB-CD1 4.16Å; A960-I967 HydrophobicContact CB-CG1 4.42Å; A960-V968 VanDerWaalsContact CA-O 3.29Å; A960-V968 WeakPolarHBondContact CA-O 3.26Å; A960-L969 HydrophobicContact CB-CD2 3.54Å
961D92.4Very high84.4Confident36 Ų3653 Ų5319%0.19326%0.264CS..EExtended strand (participates in β ladder)trans-147.8150.7166.8-153.739.5000110.4L828 V831 I832 R835 I967 V968L828-D961 HydrophobicContact CB-CB 4.43Å; L828-D961 HydrophobicContact CD2-CB 4.04Å; L828-D961 WeakPolarHBondContact CD2-OD2 3.33Å; V831-D961 VanDerWaalsContact CG1-OD2 3.29Å; V831-D961 WeakPolarHBondContact CG1-OD2 3.34Å; I832-D961 HydrophobicContact CD1-CB 3.91Å; I832-D961 HydrophobicContact CG1-CB 3.66Å; R835-D961 IonicContact CZ-OD1 3.75Å; R835-D961 VanDerWaalsContact NH2-CG 3.28Å; R835-D961 IonicContact NH2-OD1 2.85Å; R835-D961 PolarHBondContact NH2-OD1 3.49Å; R835-D961 IonicContact NH2-OD2 2.67Å; D961-I967 WeakPolarHBondContact O-CA 3.42Å; D961-I967 WeakPolarHBondContact O-CG1 3.19Å; D961-V968 PolarHBondContact N-O 2.86Å; D961-V968 VanDerWaalsContact N-O 3.13Å; D961-V968 PolarHBondContact O-N 3.43Å
962S92Very high85.6Confident20 Ų2049.9 Ų49.914%0.1425%0.245CC..EExtended strand (participates in β ladder)trans-138.9147.2-173.459.90000114.2Y946 L966Y946-S962 WeakPolarHBondContact O-CB 3.48Å; Y946-S962 PolarHBondContact O-OG 2.66Å; S962-L966 CarbonylContact C-O 3.52Å; S962-L966 WeakPolarHBondContact CA-O 3.44Å; S962-L966 WeakPolarHBondContact CB-O 3.38Å
963D88.6Confident86.4Confident74 Ų7445 Ų4540%0.39623%0.229SC..EExtended strand (participates in β ladder)trans-121.5101166.6176.823.1000108.1K824 L828 R965 L966K824-D963 WeakPolarHBondContact CD-OD2 3.35Å; K824-D963 WeakPolarHBondContact CE-OD2 3.37Å; K824-D963 IonicContact NZ-OD2 2.69Å; K824-D963 PolarHBondContact NZ-OD2 2.87Å; L828-D963 HydrophobicContact CD1-CB 4.29Å; L828-D963 HydrophobicContact CD2-CB 4.34Å; D963-R965 PolarHBondContact O-N 3.24Å; D963-L966 PolarHBondContact N-O 2.6Å; D963-L966 WeakPolarHBondContact O-CB 3.22Å; D963-L966 PolarHBondContact O-N 2.98Å
964G87.1Confident86.5Confident26 Ų2646.8 Ų46.827%0.26823%0.229SC..THydrogen-bonded Turntrans58-123.4-173.100000111.9V944 K945 Y946 L966V944-G964 WeakPolarHBondContact O-CA 3.33Å; K945-G964 CarbonylContact C-O 3.54Å; K945-G964 WeakPolarHBondContact CA-O 3.3Å; Y946-G964 PolarHBondContact N-O 3.07Å; G964-L966 VanDerWaalsContact C-N 3.31Å
965R88.8Confident86.4Confident86 Ų8648.1 Ų48.133%0.32524%0.237SC..THydrogen-bonded Turntrans-888.1179.1-57.9-167.3-171.8-1710.3114H851 P852 D925 Y946 D963H851-R965 PolarHBondContact CD2-O 2.7Å; P852-R965 HydrophobicContact CG-CB 4.16Å; D925-R965 IonicContact OD2-CZ 2.79Å; D925-R965 IonicContact OD2-NE 2.63Å; D925-R965 PolarHBondContact OD2-NE 3.32Å; D925-R965 IonicContact OD2-NH2 3.66Å; D925-R965 PolarHBondContact OD2-NH2 3.13Å; Y946-R965 VanDerWaalsContact CD2-C 3.5Å; Y946-R965 HydrophobicContact CD2-CB 4.38Å; Y946-R965 WeakPolarHBondContact CD2-O 3.27Å; Y946-R965 HydrophobicContact CE2-CB 4.05Å; Y946-R965 WeakPolarHBondContact CE2-O 3.44Å; D963-R965 PolarHBondContact O-N 3.24Å
966L92.1Very high86.3Confident11 Ų1150.1 Ų50.16%0.05825%0.248CC..EExtended strand (participates in β ladder)trans-99.8121.2171-177.767.7000108.6K824 V825 L828 V849 H851 S962 D963 G964K824-L966 HydrophobicContact CB-CD2 3.93Å; V825-L966 HydrophobicContact CG2-CD1 4.36Å; V825-L966 HydrophobicContact CG2-CD2 4Å; L828-L966 HydrophobicContact CD1-CD2 4.33Å; L828-L966 HydrophobicContact CD1-CG 4.35Å; V849-L966 HydrophobicContact CG1-CD1 3.58Å; H851-L966 HydrophobicContact CB-CD1 4.2Å; S962-L966 CarbonylContact C-O 3.52Å; S962-L966 WeakPolarHBondContact CA-O 3.44Å; S962-L966 WeakPolarHBondContact CB-O 3.38Å; D963-L966 PolarHBondContact N-O 2.6Å; D963-L966 WeakPolarHBondContact O-CB 3.22Å; D963-L966 PolarHBondContact O-N 2.98Å; G964-L966 VanDerWaalsContact C-N 3.31Å
967I94.1Very high86.3Confident1 Ų144.5 Ų44.51%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-126140175-171.6171.5000110.4I850 V887 Y946 A960 D961I850-I967 HydrophobicContact CB-CG2 3.61Å; I850-I967 HydrophobicContact CD1-CG2 4.33Å; I850-I967 HydrophobicContact CG1-CG2 4.36Å; I850-I967 HydrophobicContact CG2-CG2 4.28Å; I850-I967 PolarHBondContact N-O 3.06Å; I850-I967 PolarHBondContact O-N 3.19Å; V887-I967 HydrophobicContact CG1-CD1 4.29Å; V887-I967 HydrophobicContact CG1-CG2 4.03Å; V887-I967 HydrophobicContact CG2-CD1 4.29Å; V887-I967 HydrophobicContact CG2-CG2 4.17Å; Y946-I967 HydrophobicContact CD2-CB 4.41Å; Y946-I967 HydrophobicContact CD2-CG2 3.93Å; Y946-I967 HydrophobicContact CG-CG2 4.45Å; A960-I967 HydrophobicContact CB-CD1 4.16Å; A960-I967 HydrophobicContact CB-CG1 4.42Å; D961-I967 WeakPolarHBondContact O-CA 3.42Å; D961-I967 WeakPolarHBondContact O-CG1 3.19Å
968V94.6Very high85.9Confident0 Ų041.7 Ų41.70%021%0.214CC..EExtended strand (participates in β ladder)trans-113.3128.9176.6175.90000108.6V825 L828 A829 I832 M847 V849 A960 D961V825-V968 HydrophobicContact CB-CG2 4.46Å; V825-V968 HydrophobicContact CG1-CG2 4.08Å; V825-V968 HydrophobicContact CG2-CG2 4.49Å; L828-V968 HydrophobicContact CB-CB 4.06Å; L828-V968 HydrophobicContact CB-CG2 3.82Å; L828-V968 HydrophobicContact CD1-CB 4.5Å; L828-V968 HydrophobicContact CD1-CG2 3.8Å; L828-V968 HydrophobicContact CG-CG2 4.48Å; A829-V968 HydrophobicContact CB-CG1 4.41Å; I832-V968 HydrophobicContact CD1-CB 4.36Å; I832-V968 HydrophobicContact CD1-CG1 4.13Å; M847-V968 HydrophobicContact CG-CG1 3.56Å; M847-V968 HydrophobicContact SD-CG1 3.39Å; M847-V968 WeakPolarHBondContact SD-CG1 3.38Å; V849-V968 HydrophobicContact CG2-CG2 4.36Å; A960-V968 VanDerWaalsContact CA-O 3.29Å; A960-V968 WeakPolarHBondContact CA-O 3.26Å; D961-V968 PolarHBondContact N-O 2.86Å; D961-V968 VanDerWaalsContact N-O 3.13Å; D961-V968 PolarHBondContact O-N 3.43Å
969L93.4Very high85.3Confident2 Ų244.6 Ų44.61%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-110.6118.3171.9-59.4166.3000108.6M847 I848 I850 W885 L948 Y958 A960M847-L969 CarbonylContact C-O 3.57Å; M847-L969 WeakPolarHBondContact CA-O 3.24Å; I848-L969 HydrophobicContact CB-CB 4.2Å; I848-L969 HydrophobicContact CB-CD1 4.4Å; I848-L969 HydrophobicContact CD1-CB 4.41Å; I848-L969 HydrophobicContact CD1-CD1 4.42Å; I848-L969 PolarHBondContact N-O 3.22Å; I848-L969 PolarHBondContact O-N 3.33Å; I850-L969 HydrophobicContact CD1-CD1 3.53Å; I850-L969 HydrophobicContact CD1-CG 4.39Å; W885-L969 HydrophobicContact CB-CD1 4.05Å; W885-L969 HydrophobicContact CD2-CD1 4.34Å; W885-L969 HydrophobicContact CE3-CD1 4.19Å; W885-L969 HydrophobicContact CG-CD1 4.3Å; L948-L969 HydrophobicContact CD1-CD2 3.93Å; L948-L969 HydrophobicContact CD2-CD2 3.93Å; L948-L969 HydrophobicContact CG-CD2 4.38Å; Y958-L969 HydrophobicContact CD1-CB 3.98Å; Y958-L969 HydrophobicContact CG-CB 4.32Å; A960-L969 HydrophobicContact CB-CD2 3.54Å
970L92.5Very high85Confident0 Ų044.8 Ų44.80%023%0.229CC..EExtended strand (participates in β ladder)trans-108.7126.3-179-167.365.1000110.4I832 R833 L844 M847 V871 I873 Y958 E959 V972I832-L970 HydrophobicContact CB-CD2 4.23Å; I832-L970 HydrophobicContact CD1-CB 4.13Å; I832-L970 HydrophobicContact CG2-CB 3.83Å; I832-L970 HydrophobicContact CG2-CD2 3.77Å; I832-L970 HydrophobicContact CG2-CG 4.43Å; R833-L970 HydrophobicContact CG-CD2 3.61Å; L844-L970 HydrophobicContact CD1-CD1 3.97Å; L844-L970 HydrophobicContact CD1-CD2 3.46Å; L844-L970 VanDerWaalsContact CD1-CD2 3.46Å; L844-L970 HydrophobicContact CD1-CG 3.69Å; M847-L970 HydrophobicContact CB-CD1 3.95Å; M847-L970 HydrophobicContact CG-CD1 4.06Å; M847-L970 HydrophobicContact SD-CD1 4.11Å; V871-L970 HydrophobicContact CG1-CD1 4.29Å; I873-L970 HydrophobicContact CG2-CD1 3.81Å; Y958-L970 WeakPolarHBondContact CA-O 3.27Å; E959-L970 PolarHBondContact N-O 3.25Å; E959-L970 VanDerWaalsContact N-O 3.1Å; E959-L970 PolarHBondContact O-N 3.12Å; L970-V972 PolarHBondContact O-N 3.36Å
971D90.9Very high84.5Confident11 Ų1145.1 Ų45.16%0.05923%0.227CC..EExtended strand (participates in β ladder)trans-72111176.6-162.8-31.9000109R846 K957 Y958 C973R846-D971 HydrophobicContact CG-CB 3.72Å; R846-D971 WeakPolarHBondContact CG-OD2 3.47Å; R846-D971 IonicContact NE-OD2 2.82Å; R846-D971 PolarHBondContact NE-OD2 3.09Å; R846-D971 VanDerWaalsContact NE-OD2 3.13Å; R846-D971 VanDerWaalsContact O-CB 3.23Å; R846-D971 WeakPolarHBondContact O-CB 3.48Å; R846-D971 PolarHBondContact O-N 3.16Å; K957-D971 WeakPolarHBondContact CE-OD2 3.43Å; K957-D971 IonicContact NZ-OD2 2.64Å; Y958-D971 HydrophobicContact CD1-CB 4.14Å; Y958-D971 HydrophobicContact CE1-CB 3.73Å; D971-C973 WeakPolarHBondContact OD1-CB 3.48Å; D971-C973 PolarHBondContact OD1-N 3.08Å
972V85.6Confident83.9Confident25 Ų2543.4 Ų43.415%0.15222%0.218CC..  trans-99.42.7-175.6-62.30000112.7K836 L838 K957 E959 L970 R974K836-V972 HydrophobicContact CG-CG1 4.39Å; L838-V972 HydrophobicContact CD1-CB 4.02Å; L838-V972 HydrophobicContact CD1-CG1 3.62Å; K957-V972 WeakPolarHBondContact O-CG2 3.4Å; K957-V972 PolarHBondContact O-N 3.08Å; E959-V972 HydrophobicContact CB-CG1 3.98Å; L970-V972 PolarHBondContact O-N 3.36Å; V972-R974 PolarHBondContact O-N 2.74Å
973C80.7Confident83.6Confident64 Ų6443 Ų4343%0.43221%0.214SC..  trans-64.9134.8175.9-70.40000110.9D971D971-C973 WeakPolarHBondContact OD1-CB 3.48Å; D971-C973 PolarHBondContact OD1-N 3.08Å
974R69Low83.4Confident190 Ų19039.5 Ų39.572%0.71720%0.195SC*.  trans-89.2111.4-178.1-67.5-178.6-178.6-1781.3110.3V972V972-R974 PolarHBondContact O-N 2.74Å
975D72.4Confident83.3Confident64 Ų6441.9 Ų41.934%0.34220%0.196SC..  trans-88.6133.8168176.2-15.1000109.2R874 S977 M978 Q979R874-D975 IonicContact NH1-OD2 3.94Å; D975-S977 VanDerWaalsContact C-N 3.29Å; D975-S977 PolarHBondContact O-N 3.46Å; D975-S977 WeakPolarHBondContact OD1-CB 3.3Å; D975-S977 PolarHBondContact OD1-N 2.92Å; D975-S977 PolarHBondContact OD1-OG 3.09Å; D975-S977 PolarHBondContact OD2-OG 3.22Å; D975-S977 VanDerWaalsContact OD2-OG 3.1Å; D975-M978 HydrophobicContact CB-CB 4.28Å; D975-M978 HydrophobicContact CB-CE 3.87Å; D975-M978 HydrophobicContact CB-CG 3.92Å; D975-M978 HydrophobicContact CB-SD 3.92Å; D975-M978 WeakPolarHBondContact O-CB 3.49Å; D975-M978 PolarHBondContact O-N 2.77Å; D975-M978 VanDerWaalsContact O-N 3.11Å; D975-Q979 PolarHBondContact O-N 2.8Å; D975-Q979 VanDerWaalsContact O-N 3.15Å
976E71.7Confident83.2Confident153 Ų15339.6 Ų39.672%0.71519%0.19SC*.Hα-helixtrans-58.7-39.9-178.3-147.2172.4-160.700111.6M978 Q979 E980E976-M978 VanDerWaalsContact C-N 3.27Å; E976-M978 PolarHBondContact O-N 3.02Å; E976-Q979 WeakPolarHBondContact O-CB 3.5Å; E976-Q979 PolarHBondContact O-N 2.93Å; E976-Q979 VanDerWaalsContact O-N 3.13Å; E976-E980 WeakPolarHBondContact O-CG 3.14Å; E976-E980 PolarHBondContact O-N 2.85Å; E976-E980 VanDerWaalsContact O-N 3.08Å
977S75.6Confident83Confident41 Ų4139.1 Ų39.129%0.28719%0.187SC..Hα-helixtrans-62-34.5176.671.10000112.8R874 D975 E981R874-S977 PolarHBondContact NH2-OG 3.43Å; R874-S977 VanDerWaalsContact NH2-OG 3.12Å; D975-S977 VanDerWaalsContact C-N 3.29Å; D975-S977 PolarHBondContact O-N 3.46Å; D975-S977 WeakPolarHBondContact OD1-CB 3.3Å; D975-S977 PolarHBondContact OD1-N 2.92Å; D975-S977 PolarHBondContact OD1-OG 3.09Å; D975-S977 PolarHBondContact OD2-OG 3.22Å; D975-S977 VanDerWaalsContact OD2-OG 3.1Å; S977-E981 PolarHBondContact O-N 3.06Å
978M73.1Confident82.7Confident16 Ų1639.9 Ų39.98%0.07919%0.192CC..Hα-helixtrans-74.1-32.8178.1-66.3-178.6-159.600111.6P843 G845 D975 E976 G982P843-M978 WeakPolarHBondContact CD-O 3.21Å; P843-M978 HydrophobicContact CG-CB 3.89Å; P843-M978 HydrophobicContact CG-CG 4.09Å; P843-M978 WeakPolarHBondContact O-CB 3.36Å; P843-M978 VanDerWaalsContact O-SD 3.34Å; G845-M978 VanDerWaalsContact CA-CE 3.46Å; D975-M978 HydrophobicContact CB-CB 4.28Å; D975-M978 HydrophobicContact CB-CE 3.87Å; D975-M978 HydrophobicContact CB-CG 3.92Å; D975-M978 HydrophobicContact CB-SD 3.92Å; D975-M978 WeakPolarHBondContact O-CB 3.49Å; D975-M978 PolarHBondContact O-N 2.77Å; D975-M978 VanDerWaalsContact O-N 3.11Å; E976-M978 VanDerWaalsContact C-N 3.27Å; E976-M978 PolarHBondContact O-N 3.02Å; M978-G982 PolarHBondContact O-N 3.11Å; M978-G982 VanDerWaalsContact O-N 3.07Å
979Q76.1Confident82.2Confident65 Ų6542.3 Ų42.330%0.30421%0.205SC..Hα-helixtrans-65.9-45.6173.5-66.5-173.216.200111.2D975 E976 E981 G982 L983D975-Q979 PolarHBondContact O-N 2.8Å; D975-Q979 VanDerWaalsContact O-N 3.15Å; E976-Q979 WeakPolarHBondContact O-CB 3.5Å; E976-Q979 PolarHBondContact O-N 2.93Å; E976-Q979 VanDerWaalsContact O-N 3.13Å; Q979-E981 PolarHBondContact O-N 3.12Å; Q979-G982 PolarHBondContact O-N 2.94Å; Q979-G982 VanDerWaalsContact O-N 3.13Å; Q979-L983 WeakPolarHBondContact O-CG 3.23Å; Q979-L983 PolarHBondContact O-N 2.73Å; Q979-L983 VanDerWaalsContact O-N 3.07Å
980E83.1Confident82Confident37 Ų3746.1 Ų46.117%0.17322%0.219CC..Hα-helixtrans-56.8-46.6177.2-68.8-163.415600112.4E976 G982 L983 A984 T1024 R1027E976-E980 WeakPolarHBondContact O-CG 3.14Å; E976-E980 PolarHBondContact O-N 2.85Å; E976-E980 VanDerWaalsContact O-N 3.08Å; E980-G982 VanDerWaalsContact C-N 3.32Å; E980-G982 PolarHBondContact O-N 2.98Å; E980-L983 WeakPolarHBondContact O-CB 3.32Å; E980-L983 PolarHBondContact O-N 3.4Å; E980-A984 PolarHBondContact O-N 3.23Å; E980-A984 VanDerWaalsContact O-N 3.16Å; E980-T1024 HydrophobicContact CB-CG2 3.52Å; E980-T1024 HydrophobicContact CG-CG2 3.49Å; E980-T1024 VanDerWaalsContact CG-CG2 3.49Å; E980-T1024 PolarHBondContact OE1-OG1 3.41Å; E980-R1027 VanDerWaalsContact CD-NH1 3.28Å; E980-R1027 IonicContact OE1-CZ 2.65Å; E980-R1027 IonicContact OE1-NH1 3.84Å; E980-R1027 PolarHBondContact OE1-NH1 3.24Å; E980-R1027 IonicContact OE1-NH2 2.68Å; E980-R1027 IonicContact OE2-NH1 3.81Å; E980-R1027 PolarHBondContact OE2-NH1 2.97Å
981E80.5Confident81.8Confident25 Ų2546.1 Ų46.112%0.11722%0.219CC..Hα-helixtrans-62.1-40.5176-171.5179.2162.100112P843 S977 Q979 L983 A984 R985 W1028P843-E981 HydrophobicContact CG-CB 4.16Å; P843-E981 HydrophobicContact CG-CG 4.33Å; S977-E981 PolarHBondContact O-N 3.06Å; Q979-E981 PolarHBondContact O-N 3.12Å; E981-L983 VanDerWaalsContact C-N 3.27Å; E981-L983 PolarHBondContact O-N 3.35Å; E981-A984 PolarHBondContact O-N 3.03Å; E981-R985 WeakPolarHBondContact O-CG 3.31Å; E981-R985 PolarHBondContact O-N 3.18Å; E981-R985 IonicContact OE1-CZ 3.13Å; E981-R985 VanDerWaalsContact OE1-CZ 3.23Å; E981-R985 IonicContact OE1-NE 3.82Å; E981-R985 PolarHBondContact OE1-NE 3.48Å; E981-R985 VanDerWaalsContact OE1-NE 3.09Å; E981-R985 IonicContact OE1-NH2 2.67Å; E981-R985 PolarHBondContact OE1-NH2 3.49Å; E981-W1028 HydrophobicContact CB-CH2 3.61Å; E981-W1028 HydrophobicContact CB-CZ2 3.61Å; E981-W1028 HydrophobicContact CB-CZ3 4.2Å; E981-W1028 HydrophobicContact CG-CE3 4.36Å; E981-W1028 HydrophobicContact CG-CH2 3.54Å; E981-W1028 HydrophobicContact CG-CZ2 4.07Å; E981-W1028 HydrophobicContact CG-CZ3 3.71Å
982G81Confident81.5Confident0 Ų048.3 Ų48.30%023%0.229CC..Hα-helixtrans-57.4-39.5175.600000112.6M978 Q979 E980 R985 E986M978-G982 PolarHBondContact O-N 3.11Å; M978-G982 VanDerWaalsContact O-N 3.07Å; Q979-G982 PolarHBondContact O-N 2.94Å; Q979-G982 VanDerWaalsContact O-N 3.13Å; E980-G982 VanDerWaalsContact C-N 3.32Å; E980-G982 PolarHBondContact O-N 2.98Å; G982-R985 PolarHBondContact O-N 3.09Å; G982-E986 WeakPolarHBondContact O-CB 2.88Å; G982-E986 PolarHBondContact O-N 2.86Å
983L84.4Confident81.6Confident12 Ų1252.9 Ų52.96%0.06325%0.246CC..Hα-helixtrans-67-42.8175.7-61.9169.4000112.2Q979 E980 E981 R985 E986 L987 L1021 T1024 Q1061Q979-L983 WeakPolarHBondContact O-CG 3.23Å; Q979-L983 PolarHBondContact O-N 2.73Å; Q979-L983 VanDerWaalsContact O-N 3.07Å; E980-L983 WeakPolarHBondContact O-CB 3.32Å; E980-L983 PolarHBondContact O-N 3.4Å; E981-L983 VanDerWaalsContact C-N 3.27Å; E981-L983 PolarHBondContact O-N 3.35Å; L983-R985 VanDerWaalsContact C-N 3.33Å; L983-R985 PolarHBondContact O-N 2.88Å; L983-E986 WeakPolarHBondContact O-CB 3.43Å; L983-E986 PolarHBondContact O-N 3.19Å; L983-L987 PolarHBondContact O-N 3.49Å; L983-L1021 HydrophobicContact CD1-CD1 4.14Å; L983-T1024 HydrophobicContact CD1-CG2 4.4Å; L983-Q1061 HydrophobicContact CD1-CG 4.47Å; L983-Q1061 HydrophobicContact CD2-CB 4.49Å; L983-Q1061 HydrophobicContact CD2-CG 3.6Å
984A85.4Confident82Confident0 Ų050 Ų500%023%0.227CC..Hα-helixtrans-60.4-44176.300000111.2E980 E981 L987 V988 W1028 F1031 I1032E980-A984 PolarHBondContact O-N 3.23Å; E980-A984 VanDerWaalsContact O-N 3.16Å; E981-A984 PolarHBondContact O-N 3.03Å; A984-L987 PolarHBondContact O-N 2.98Å; A984-V988 WeakPolarHBondContact O-CG2 3.34Å; A984-V988 PolarHBondContact O-N 2.84Å; A984-V988 VanDerWaalsContact O-N 3.07Å; A984-W1028 HydrophobicContact CB-CB 3.67Å; A984-W1028 HydrophobicContact CB-CD2 4.33Å; A984-W1028 HydrophobicContact CB-CG 3.94Å; A984-F1031 HydrophobicContact CB-CD1 4.02Å; A984-F1031 HydrophobicContact CB-CE1 4.21Å; A984-I1032 HydrophobicContact CB-CD1 4.15Å; A984-I1032 HydrophobicContact CB-CG1 4.07Å
985R85.2Confident82.8Confident76 Ų7641.1 Ų41.129%0.28719%0.193SC..Hα-helixtrans-65.4-37.4175-70177.3179-1507.6112.7K841 N872 E981 G982 L983 L987 N989 F1031K841-R985 HydrophobicContact CB-CB 4.43Å; K841-R985 WeakPolarHBondContact O-CD 3.4Å; N872-R985 VanDerWaalsContact CG-NH1 3.26Å; N872-R985 PolarHBondContact ND2-NH1 2.8Å; N872-R985 PolarHBondContact OD1-NH1 2.65Å; E981-R985 WeakPolarHBondContact O-CG 3.31Å; E981-R985 PolarHBondContact O-N 3.18Å; E981-R985 IonicContact OE1-CZ 3.13Å; E981-R985 VanDerWaalsContact OE1-CZ 3.23Å; E981-R985 IonicContact OE1-NE 3.82Å; E981-R985 PolarHBondContact OE1-NE 3.48Å; E981-R985 VanDerWaalsContact OE1-NE 3.09Å; E981-R985 IonicContact OE1-NH2 2.67Å; E981-R985 PolarHBondContact OE1-NH2 3.49Å; G982-R985 PolarHBondContact O-N 3.09Å; L983-R985 VanDerWaalsContact C-N 3.33Å; L983-R985 PolarHBondContact O-N 2.88Å; R985-L987 VanDerWaalsContact C-N 3.35Å; R985-N989 WeakPolarHBondContact O-CB 3.15Å; R985-N989 PolarHBondContact O-N 3Å; R985-F1031 HydrophobicContact CG-CE1 3.82Å; R985-F1031 HydrophobicContact CG-CZ 3.75Å
986E85.4Confident83.3Confident39 Ų3945.6 Ų45.618%0.18221%0.21CC..Hα-helixtrans-59-46.4174.3-173.377.1-14100110.7K841 G982 L983 N989 R990 L1060K841-E986 HydrophobicContact CD-CB 4.47Å; K841-E986 WeakPolarHBondContact CD-OE2 3.47Å; K841-E986 IonicContact NZ-OE1 3.03Å; K841-E986 PolarHBondContact NZ-OE1 3.34Å; K841-E986 IonicContact NZ-OE2 2.78Å; K841-E986 PolarHBondContact NZ-OE2 2.9Å; G982-E986 WeakPolarHBondContact O-CB 2.88Å; G982-E986 PolarHBondContact O-N 2.86Å; L983-E986 WeakPolarHBondContact O-CB 3.43Å; L983-E986 PolarHBondContact O-N 3.19Å; E986-N989 PolarHBondContact O-N 2.86Å; E986-R990 VanDerWaalsContact O-CG 3.31Å; E986-R990 WeakPolarHBondContact O-CG 3.45Å; E986-R990 PolarHBondContact O-N 2.6Å; E986-R990 IonicContact OE1-NE 3.52Å; E986-R990 IonicContact OE1-NH2 2.65Å; E986-L1060 HydrophobicContact CB-CD2 4Å; E986-L1060 HydrophobicContact CG-CD2 3.26Å
987L88.3Confident84Confident0 Ų044.7 Ų44.70%020%0.204CC..Hα-helixtrans-62.1-51.2177.3176.755.1000112.2L983 A984 R985 N989 R990 I991 L1025 I1032 I1040 F1042 I1058 L1060 M1065 V1067L983-L987 PolarHBondContact O-N 3.49Å; A984-L987 PolarHBondContact O-N 2.98Å; R985-L987 VanDerWaalsContact C-N 3.35Å; L987-N989 PolarHBondContact O-N 3.09Å; L987-R990 WeakPolarHBondContact O-CB 3.37Å; L987-R990 PolarHBondContact O-N 3.01Å; L987-I991 HydrophobicContact CD1-CD1 3.75Å; L987-I991 HydrophobicContact CD1-CG1 4.01Å; L987-I991 HydrophobicContact CG-CD1 3.78Å; L987-I991 HydrophobicContact CG-CG1 4.49Å; L987-I991 WeakPolarHBondContact O-CG1 3.16Å; L987-I991 PolarHBondContact O-N 2.82Å; L987-L1025 HydrophobicContact CB-CD2 4.32Å; L987-L1025 HydrophobicContact CD2-CD1 4Å; L987-L1025 HydrophobicContact CD2-CD2 3.88Å; L987-L1025 HydrophobicContact CD2-CG 4.46Å; L987-I1032 HydrophobicContact CD2-CD1 4.18Å; L987-I1040 HydrophobicContact CD2-CD1 4.26Å; L987-F1042 HydrophobicContact CD2-CE1 3.86Å; L987-F1042 HydrophobicContact CD2-CZ 4.17Å; L987-I1058 HydrophobicContact CD1-CD1 3.92Å; L987-L1060 HydrophobicContact CB-CD1 4.22Å; L987-L1060 HydrophobicContact CD1-CD1 4.39Å; L987-M1065 HydrophobicContact CD1-CE 3.34Å; L987-M1065 HydrophobicContact CD2-CE 4.19Å; L987-M1065 HydrophobicContact CG-CE 4.39Å; L987-V1067 HydrophobicContact CD1-CG2 4.19Å
988V87.3Confident84.4Confident18 Ų1844 Ų4411%0.10920%0.2CC..Hα-helixtrans-51.8-46.1176.3170.40000110.5A984 R990 I991 Q992 I1032 L1036A984-V988 WeakPolarHBondContact O-CG2 3.34Å; A984-V988 PolarHBondContact O-N 2.84Å; A984-V988 VanDerWaalsContact O-N 3.07Å; V988-R990 PolarHBondContact O-N 3.01Å; V988-I991 PolarHBondContact O-N 2.88Å; V988-Q992 HydrophobicContact CG1-CG 4.41Å; V988-Q992 WeakPolarHBondContact O-CB 3.44Å; V988-Q992 VanDerWaalsContact O-CG 3.3Å; V988-Q992 WeakPolarHBondContact O-CG 3.5Å; V988-Q992 PolarHBondContact O-N 2.81Å; V988-I1032 HydrophobicContact CG2-CB 4.18Å; V988-I1032 HydrophobicContact CG2-CG1 4.15Å; V988-I1032 HydrophobicContact CG2-CG2 3.85Å; V988-L1036 HydrophobicContact CG1-CD2 4.04Å
989N85.8Confident84.8Confident50 Ų5052.4 Ų52.427%0.26724%0.236SC..Hα-helixtrans-64.7-38178.7169.774.3000113.1K841 R985 E986 L987 Q992 K993K841-N989 PolarHBondContact NZ-ND2 3.02Å; K841-N989 VanDerWaalsContact NZ-ND2 3.15Å; R985-N989 WeakPolarHBondContact O-CB 3.15Å; R985-N989 PolarHBondContact O-N 3Å; E986-N989 PolarHBondContact O-N 2.86Å; L987-N989 PolarHBondContact O-N 3.09Å; N989-Q992 PolarHBondContact O-N 2.9Å; N989-K993 WeakPolarHBondContact O-CG 3.44Å; N989-K993 PolarHBondContact O-N 2.85Å
990R88.1Confident84.9Confident82 Ų8250.7 Ų50.731%0.30923%0.229SC..Hα-helixtrans-64.5-43.7175.9-68.3-75.7177.9168.83.9111.1E986 L987 V988 K993 L994 I1058E986-R990 VanDerWaalsContact O-CG 3.31Å; E986-R990 WeakPolarHBondContact O-CG 3.45Å; E986-R990 PolarHBondContact O-N 2.6Å; E986-R990 IonicContact OE1-NE 3.52Å; E986-R990 IonicContact OE1-NH2 2.65Å; L987-R990 WeakPolarHBondContact O-CB 3.37Å; L987-R990 PolarHBondContact O-N 3.01Å; V988-R990 PolarHBondContact O-N 3.01Å; R990-K993 PolarHBondContact O-N 2.77Å; R990-L994 PolarHBondContact O-N 2.81Å; R990-I1058 HydrophobicContact CB-CD1 3.8Å; R990-I1058 HydrophobicContact CB-CG2 4.34Å; R990-I1058 HydrophobicContact CG-CD1 3.91Å; R990-I1058 HydrophobicContact CG-CG2 4.46Å
991I88.8Confident84.3Confident0 Ų053.3 Ų53.30%024%0.244CC..Hα-helixtrans-61.6-45.3175.8-65.7164.2000110.6L987 V988 K993 L994 R995 V1008 L1036 I1040 V1067L987-I991 HydrophobicContact CD1-CD1 3.75Å; L987-I991 HydrophobicContact CD1-CG1 4.01Å; L987-I991 HydrophobicContact CG-CD1 3.78Å; L987-I991 HydrophobicContact CG-CG1 4.49Å; L987-I991 WeakPolarHBondContact O-CG1 3.16Å; L987-I991 PolarHBondContact O-N 2.82Å; V988-I991 PolarHBondContact O-N 2.88Å; I991-K993 VanDerWaalsContact C-N 3.33Å; I991-K993 PolarHBondContact O-N 3.08Å; I991-L994 VanDerWaalsContact O-CB 3.31Å; I991-L994 WeakPolarHBondContact O-CB 3.38Å; I991-L994 PolarHBondContact O-N 2.8Å; I991-R995 PolarHBondContact O-N 2.64Å; I991-V1008 HydrophobicContact CD1-CG1 3.94Å; I991-V1008 HydrophobicContact CG1-CG1 4.07Å; I991-V1008 HydrophobicContact CG2-CG1 4.14Å; I991-V1008 HydrophobicContact CG2-CG2 3.92Å; I991-L1036 HydrophobicContact CB-CD2 3.97Å; I991-L1036 HydrophobicContact CD1-CD1 3.66Å; I991-L1036 HydrophobicContact CG2-CD1 4.11Å; I991-L1036 HydrophobicContact CG2-CD2 3.6Å; I991-I1040 HydrophobicContact CD1-CD1 3.7Å; I991-V1067 HydrophobicContact CG1-CG1 3.8Å
992Q85.2Confident83.6Confident58 Ų5856.3 Ų56.327%0.27127%0.265SS..Hα-helixtrans-64.4-34.9177.9-71.2-68.1-6.600112.9V988 N989 R995 K996 L1036V988-Q992 HydrophobicContact CG1-CG 4.41Å; V988-Q992 WeakPolarHBondContact O-CB 3.44Å; V988-Q992 VanDerWaalsContact O-CG 3.3Å; V988-Q992 WeakPolarHBondContact O-CG 3.5Å; V988-Q992 PolarHBondContact O-N 2.81Å; N989-Q992 PolarHBondContact O-N 2.9Å; Q992-R995 PolarHBondContact O-N 3.46Å; Q992-K996 WeakPolarHBondContact O-CG 3.1Å; Q992-K996 PolarHBondContact O-N 2.87Å; Q992-K996 VanDerWaalsContact O-N 3.12Å; Q992-L1036 HydrophobicContact CG-CD2 4.13Å
993K86.3Confident83Confident120 Ų12061.5 Ų61.552%0.52229%0.29SS..Hα-helixtrans-65.4-42.3171.8-76.8-178.6176.3-171.60111.9N989 R990 I991 K996 K997N989-K993 WeakPolarHBondContact O-CG 3.44Å; N989-K993 PolarHBondContact O-N 2.85Å; R990-K993 PolarHBondContact O-N 2.77Å; I991-K993 VanDerWaalsContact C-N 3.33Å; I991-K993 PolarHBondContact O-N 3.08Å; K993-K996 PolarHBondContact O-N 2.89Å; K993-K997 PolarHBondContact O-N 3.16Å
994L88.6Confident82.5Confident3 Ų363.4 Ų63.42%0.01630%0.3CS..Hα-helixtrans-59-44.6173.5-104136.7000111.7R990 I991 K996 K997 A998 I1054 E1056 V1067 I1069R990-L994 PolarHBondContact O-N 2.81Å; I991-L994 VanDerWaalsContact O-CB 3.31Å; I991-L994 WeakPolarHBondContact O-CB 3.38Å; I991-L994 PolarHBondContact O-N 2.8Å; L994-K996 PolarHBondContact O-N 3.05Å; L994-K997 WeakPolarHBondContact O-CB 3.48Å; L994-K997 PolarHBondContact O-N 3.5Å; L994-A998 PolarHBondContact O-N 3.14Å; L994-I1054 HydrophobicContact CD2-CB 4.21Å; L994-I1054 HydrophobicContact CD2-CD1 4.11Å; L994-I1054 HydrophobicContact CD2-CG1 3.81Å; L994-I1054 HydrophobicContact CD2-CG2 3.56Å; L994-E1056 HydrophobicContact CD1-CB 3.95Å; L994-E1056 HydrophobicContact CD2-CB 3.85Å; L994-E1056 HydrophobicContact CG-CB 4.04Å; L994-V1067 HydrophobicContact CD1-CB 4.01Å; L994-V1067 HydrophobicContact CD1-CG1 3.87Å; L994-I1069 HydrophobicContact CB-CD1 3.93Å
995R87.1Confident82.2Confident4 Ų468.7 Ų68.72%0.01533%0.328CS..Hα-helixtrans-57.4-47.6175.1-72.8-178.673.3162.91.7112I991 Q992 K997 A998 K999 L1000 L1001 P1002 L1036 Q1038 I1069I991-R995 PolarHBondContact O-N 2.64Å; Q992-R995 PolarHBondContact O-N 3.46Å; R995-K997 VanDerWaalsContact C-N 3.34Å; R995-K997 PolarHBondContact O-N 3.15Å; R995-A998 CarbonylContact O-C 3.49Å; R995-A998 PolarHBondContact O-N 3.49Å; R995-A998 VanDerWaalsContact O-N 3.15Å; R995-K999 PolarHBondContact O-N 3.28Å; R995-K999 VanDerWaalsContact O-N 3.14Å; R995-L1000 HydrophobicContact CB-CB 4.26Å; R995-L1000 HydrophobicContact CG-CD1 4.32Å; R995-L1000 PolarHBondContact O-N 3.21Å; R995-L1001 PolarHBondContact NH2-O 3.15Å; R995-P1002 PolarHBondContact NH2-O 3.41Å; R995-L1036 PolarHBondContact NH1-O 2.74Å; R995-Q1038 VanDerWaalsContact NH1-CD 3.34Å; R995-I1069 HydrophobicContact CG-CD1 3.63Å
996K82.1Confident82.3Confident158 Ų15865.2 Ų65.269%0.68732%0.315SS*.Hα-helixtrans-60.7-41.8176.3-72.5-178.9-179.7-1760112.5Q992 K993 L994 A998 K999Q992-K996 WeakPolarHBondContact O-CG 3.1Å; Q992-K996 PolarHBondContact O-N 2.87Å; Q992-K996 VanDerWaalsContact O-N 3.12Å; K993-K996 PolarHBondContact O-N 2.89Å; L994-K996 PolarHBondContact O-N 3.05Å; K996-A998 VanDerWaalsContact C-N 3.25Å; K996-A998 PolarHBondContact O-N 2.99Å; K996-K999 PolarHBondContact O-N 3.31Å
997K86Confident82.4Confident135 Ų13564.1 Ų64.159%0.58731%0.311SS*.Hα-helixtrans-63.1-33.6176.9-170.8174173.3-179.30111.9K993 L994 R995 K999 I1054 E1056K993-K997 PolarHBondContact O-N 3.16Å; L994-K997 WeakPolarHBondContact O-CB 3.48Å; L994-K997 PolarHBondContact O-N 3.5Å; R995-K997 VanDerWaalsContact C-N 3.34Å; R995-K997 PolarHBondContact O-N 3.15Å; K997-K999 VanDerWaalsContact C-N 3.27Å; K997-K999 PolarHBondContact O-N 3.44Å; K997-I1054 HydrophobicContact CB-CD1 4.05Å; K997-I1054 HydrophobicContact CD-CD1 4.03Å; K997-I1054 HydrophobicContact CG-CD1 3.88Å; K997-E1056 IonicContact NZ-OE2 3.66Å; K997-E1056 PolarHBondContact NZ-OE2 3.36Å
998A84.8Confident82.4Confident26 Ų2664.1 Ų64.122%0.21531%0.311CS..THydrogen-bonded Turntrans-81.62.6172.400000114.5L994 R995 K996 L1000 I1053 I1054L994-A998 PolarHBondContact O-N 3.14Å; R995-A998 CarbonylContact O-C 3.49Å; R995-A998 PolarHBondContact O-N 3.49Å; R995-A998 VanDerWaalsContact O-N 3.15Å; K996-A998 VanDerWaalsContact C-N 3.25Å; K996-A998 PolarHBondContact O-N 2.99Å; A998-L1000 HydrophobicContact CB-CD1 3.96Å; A998-L1000 HydrophobicContact CB-CG 3.95Å; A998-L1000 PolarHBondContact O-N 2.84Å; A998-I1053 HydrophobicContact CB-CG2 3.8Å; A998-I1054 HydrophobicContact CB-CB 4.15Å; A998-I1054 HydrophobicContact CB-CD1 4.21Å; A998-I1054 HydrophobicContact CB-CG2 3.79Å
999K81.5Confident82.5Confident192 Ų19264.5 Ų64.584%0.83531%0.311SS*.THydrogen-bonded Turntrans56.328-175.1-56.3-176.9178.6-1780114.1R995 K996 K997R995-K999 PolarHBondContact O-N 3.28Å; R995-K999 VanDerWaalsContact O-N 3.14Å; K996-K999 PolarHBondContact O-N 3.31Å; K997-K999 VanDerWaalsContact C-N 3.27Å; K997-K999 PolarHBondContact O-N 3.44Å
1000L78Confident82.6Confident30 Ų3062.1 Ų62.116%0.15730%0.298CS..  trans-79.4134.3175.9-65.8168.7000110.6R995 A998 D1004 V1006 I1053 I1069R995-L1000 HydrophobicContact CB-CB 4.26Å; R995-L1000 HydrophobicContact CG-CD1 4.32Å; R995-L1000 PolarHBondContact O-N 3.21Å; A998-L1000 HydrophobicContact CB-CD1 3.96Å; A998-L1000 HydrophobicContact CB-CG 3.95Å; A998-L1000 PolarHBondContact O-N 2.84Å; L1000-D1004 WeakPolarHBondContact CA-OD2 3.26Å; L1000-D1004 HydrophobicContact CD2-CB 4.12Å; L1000-V1006 HydrophobicContact CD1-CG1 3.97Å; L1000-V1006 HydrophobicContact CD1-CG2 4.36Å; L1000-V1006 HydrophobicContact CD2-CG1 4.17Å; L1000-I1053 HydrophobicContact CD1-CD1 4.19Å; L1000-I1053 HydrophobicContact CD1-CG2 4.2Å; L1000-I1053 HydrophobicContact CD2-CD1 4.19Å; L1000-I1069 HydrophobicContact CD1-CG2 3.99Å
1001L70.2Confident82.5Confident92 Ų9262.2 Ų62.248%0.48230%0.302SS..  trans-77.3155.3170.7-59.3172.7000110.4R995 Q1003 D1004R995-L1001 PolarHBondContact NH2-O 3.15Å; L1001-Q1003 HydrophobicContact CB-CG 4.21Å; L1001-Q1003 PolarHBondContact O-N 2.78Å; L1001-Q1003 VanDerWaalsContact O-N 3.14Å; L1001-D1004 PolarHBondContact N-OD2 3.29Å; L1001-D1004 WeakPolarHBondContact O-CB 3.45Å; L1001-D1004 PolarHBondContact O-N 3.03Å
1002P66.9Low82.1Confident88 Ų8864.8 Ų64.857%0.57132%0.315SS*.THydrogen-bonded Turntrans-55.1-30.2178.7-27.735.8000114.5R995R995-P1002 PolarHBondContact NH2-O 3.41Å
1003Q67.7Low81.5Confident109 Ų10967.6 Ų67.651%0.50933%0.327SS..THydrogen-bonded Turntrans-86-8.5179.559.2-90.220.800114.9L1001 D1005L1001-Q1003 HydrophobicContact CB-CG 4.21Å; L1001-Q1003 PolarHBondContact O-N 2.78Å; L1001-Q1003 VanDerWaalsContact O-N 3.14Å; Q1003-D1005 PolarHBondContact O-N 3.3Å
1004D75Confident80.3Confident52 Ų5265.4 Ų65.428%0.27833%0.327SS..SBendtrans-71.3117.1-177.1-67.3-10.8000110.2L1000 L1001 V1006 Q1038L1000-D1004 WeakPolarHBondContact CA-OD2 3.26Å; L1000-D1004 HydrophobicContact CD2-CB 4.12Å; L1001-D1004 PolarHBondContact N-OD2 3.29Å; L1001-D1004 WeakPolarHBondContact O-CB 3.45Å; L1001-D1004 PolarHBondContact O-N 3.03Å; D1004-V1006 PolarHBondContact O-N 3.17Å; D1004-V1006 VanDerWaalsContact O-N 3.07Å; D1004-Q1038 PolarHBondContact O-NE2 3.47Å
1005D79Confident78.6Confident111 Ų11167.2 Ų67.259%0.59435%0.346SS*.  trans-64.2105.3-178.4-82.6-42.8000112.2Q1003 R1072Q1003-D1005 PolarHBondContact O-N 3.3Å; D1005-R1072 HydrophobicContact CB-CB 4.12Å; D1005-R1072 WeakPolarHBondContact O-CB 3.08Å; D1005-R1072 PolarHBondContact O-N 3.41Å
1006V86.6Confident77Confident3 Ų373.9 Ų73.92%0.01838%0.382CS..EExtended strand (participates in β ladder)trans-133.6158.6177.4-580000111.1L1000 D1004 Q1038 I1053 I1069 F1070L1000-V1006 HydrophobicContact CD1-CG1 3.97Å; L1000-V1006 HydrophobicContact CD1-CG2 4.36Å; L1000-V1006 HydrophobicContact CD2-CG1 4.17Å; D1004-V1006 PolarHBondContact O-N 3.17Å; D1004-V1006 VanDerWaalsContact O-N 3.07Å; V1006-Q1038 PolarHBondContact O-OE1 2.76Å; V1006-I1053 HydrophobicContact CB-CD1 4.39Å; V1006-I1053 HydrophobicContact CG1-CD1 3.51Å; V1006-I1069 HydrophobicContact CB-CG2 3.62Å; V1006-I1069 HydrophobicContact CG1-CG2 4.13Å; V1006-I1069 HydrophobicContact CG2-CG2 3.53Å; V1006-F1070 VanDerWaalsContact CA-O 3.32Å; V1006-F1070 WeakPolarHBondContact CA-O 3.43Å; V1006-F1070 VanDerWaalsContact CB-O 3.29Å; V1006-F1070 WeakPolarHBondContact CB-O 3.25Å
1007T87.4Confident75.6Confident15 Ų1576.5 Ų76.59%0.09240%0.396CS..EExtended strand (participates in β ladder)trans-114.6136.8176.1-55.70000109.1Y1009 P1039 F1041 I1069 F1070T1007-Y1009 HydrophobicContact CG2-CD2 4.26Å; T1007-Y1009 HydrophobicContact CG2-CE2 3.54Å; T1007-P1039 HydrophobicContact CG2-CB 4.49Å; T1007-F1041 HydrophobicContact CG2-CD2 3.61Å; T1007-F1041 HydrophobicContact CG2-CE2 3.52Å; T1007-I1069 WeakPolarHBondContact O-CA 3.34Å; T1007-F1070 PolarHBondContact N-O 3.4Å; T1007-F1070 PolarHBondContact O-N 2.86Å
1008V88.6Confident74.2Confident1 Ų173.4 Ų73.41%0.00640%0.403CS..EExtended strand (participates in β ladder)trans-109.4129.4-178-173.50000110.8I991 P1039 I1040 F1041 V1067 E1068 I1069I991-V1008 HydrophobicContact CD1-CG1 3.94Å; I991-V1008 HydrophobicContact CG1-CG1 4.07Å; I991-V1008 HydrophobicContact CG2-CG1 4.14Å; I991-V1008 HydrophobicContact CG2-CG2 3.92Å; V1008-P1039 PolarHBondContact N-O 2.84Å; V1008-I1040 HydrophobicContact CB-CG1 4.25Å; V1008-I1040 HydrophobicContact CG1-CG1 4.31Å; V1008-I1040 CarbonylContact O-C 3.46Å; V1008-I1040 WeakPolarHBondContact O-CA 3.24Å; V1008-F1041 PolarHBondContact O-N 2.76Å; V1008-V1067 HydrophobicContact CG1-CG1 4Å; V1008-E1068 CarbonylContact C-O 3.59Å; V1008-E1068 WeakPolarHBondContact CA-O 3.42Å; V1008-I1069 HydrophobicContact CG2-CG1 4.33Å
1009Y89.5Confident73.4Confident25 Ų2573.6 Ų73.610%0.09840%0.403CS..EExtended strand (participates in β ladder)trans-113.1137.7173.5-67.6-88.5000110.3T1007 F1041 S1043 P1045 C1049 V1067 E1068 F1070T1007-Y1009 HydrophobicContact CG2-CD2 4.26Å; T1007-Y1009 HydrophobicContact CG2-CE2 3.54Å; Y1009-F1041 CarbonylContact C-O 3.47Å; Y1009-F1041 WeakPolarHBondContact CA-O 3.48Å; Y1009-F1041 HydrophobicContact CD1-CB 3.61Å; Y1009-F1041 HydrophobicContact CD1-CD2 4.27Å; Y1009-F1041 HydrophobicContact CD1-CG 4.31Å; Y1009-F1041 HydrophobicContact CE1-CB 3.65Å; Y1009-F1041 AromaticContact CE1-CD2 3.65Å; Y1009-F1041 HydrophobicContact CE1-CD2 3.65Å; Y1009-F1041 AromaticContact CE1-CG 3.86Å; Y1009-F1041 HydrophobicContact CE1-CG 3.86Å; Y1009-F1041 AromaticContact CZ-CD2 3.81Å; Y1009-S1043 WeakPolarHBondContact CD1-O 3.29Å; Y1009-P1045 HydrophobicContact CD1-CB 4.17Å; Y1009-P1045 HydrophobicContact CD2-CB 4.01Å; Y1009-P1045 HydrophobicContact CE1-CB 4.34Å; Y1009-P1045 HydrophobicContact CE2-CB 4.14Å; Y1009-P1045 HydrophobicContact CG-CB 4.02Å; Y1009-C1049 VanDerWaalsContact CZ-SG 3.59Å; Y1009-C1049 PolarHBondContact OH-SG 3.32Å; Y1009-V1067 WeakPolarHBondContact O-CA 3.44Å; Y1009-E1068 PolarHBondContact N-O 3.07Å; Y1009-E1068 PolarHBondContact O-N 3.37Å; Y1009-F1070 AromaticContact CD2-CD2 3.51Å; Y1009-F1070 HydrophobicContact CD2-CD2 3.51Å; Y1009-F1070 AromaticContact CD2-CE2 3.79Å; Y1009-F1070 HydrophobicContact CD2-CE2 3.79Å; Y1009-F1070 HydrophobicContact CD2-CG 4.38Å; Y1009-F1070 AromaticContact CE2-CD2 3.99Å; Y1009-F1070 HydrophobicContact CE2-CD2 3.99Å; Y1009-F1070 HydrophobicContact CE2-CE2 4.48Å; Y1009-F1070 HydrophobicContact CE2-CG 4.44Å
1010C88Confident73.1Confident0 Ų068.3 Ų68.30%039%0.388CS..EExtended strand (participates in β ladder)trans-128.8121.1179.1-680000109.9F1041 F1042 S1043 M1065 M1066C1010-F1041 PolarHBondContact N-O 3.01Å; C1010-F1042 HydrophobicContact CB-CD1 3.79Å; C1010-F1042 HydrophobicContact CB-CE1 4.09Å; C1010-F1042 CarbonylContact O-C 3.52Å; C1010-F1042 WeakPolarHBondContact O-CA 3.35Å; C1010-S1043 PolarHBondContact O-N 3.01Å; C1010-M1065 HydrophobicContact CB-CE 4.07Å; C1010-M1065 HydrophobicContact CB-SD 3.93Å; C1010-M1066 CarbonylContact C-O 3.57Å; C1010-M1066 WeakPolarHBondContact CA-O 3.45Å
1011Q85Confident73.2Confident85 Ų8566.9 Ų66.940%0.39738%0.381SS..EExtended strand (participates in β ladder)trans-130.3130-178.1-177.1-178.83.800110.9K1013 M1065 M1066Q1011-K1013 PolarHBondContact O-N 3.33Å; Q1011-M1065 CarbonylContact O-C 3.38Å; Q1011-M1065 WeakPolarHBondContact O-CA 3.31Å; Q1011-M1065 WeakPolarHBondContact O-CG 3.19Å; Q1011-M1066 HydrophobicContact CB-CB 4.44Å; Q1011-M1066 PolarHBondContact N-O 2.7Å; Q1011-M1066 WeakPolarHBondContact O-CB 3.49Å; Q1011-M1066 PolarHBondContact O-N 2.84Å
1012I80.7Confident73.7Confident53 Ų5364.6 Ų64.627%0.27237%0.369SS..EExtended strand (participates in β ladder)trans-72.9128.3172.2-64.3176.8000108.8L1022 V1063 M1065I1012-L1022 HydrophobicContact CD1-CB 3.81Å; I1012-L1022 HydrophobicContact CD1-CD1 3.86Å; I1012-L1022 HydrophobicContact CD1-CG 4.33Å; I1012-L1022 HydrophobicContact CG1-CD1 4.2Å; I1012-V1063 HydrophobicContact CD1-CG1 4.36Å; I1012-V1063 HydrophobicContact CG1-CG1 4.42Å; I1012-V1063 HydrophobicContact CG2-CG1 3.76Å; I1012-M1065 HydrophobicContact CG1-CG 4.35Å
1013K72.6Confident74.4Confident118 Ų11863.6 Ų63.651%0.51336%0.362SS..EExtended strand (participates in β ladder)trans-95.7-36-180-92.5-171172.3-174.40113.1Q1011 A1064 M1066Q1011-K1013 PolarHBondContact O-N 3.33Å; K1013-A1064 PolarHBondContact N-O 2.92Å; K1013-M1066 HydrophobicContact CD-CB 4.16Å; K1013-M1066 HydrophobicContact CD-SD 4.23Å; K1013-M1066 VanDerWaalsContact CE-SD 3.51Å; K1013-M1066 HydrophobicContact CG-CB 4.09Å; K1013-M1066 PolarHBondContact NZ-SD 2.8Å; K1013-M1066 VanDerWaalsContact NZ-SD 3.44Å
1014S60.4Low75.2Confident74 Ų7458.6 Ų58.652%0.51734%0.339SS..EExtended strand (participates in β ladder)trans-164.7128.4-179.544.60000111.1A1064S1014-A1064 PolarHBondContact O-N 3.47Å
1015G54.5Low75.7Confident41 Ų4156.1 Ų56.142%0.42333%0.326SS..SBendtrans164.6152.9179.200000109.7E1017G1015-E1017 PolarHBondContact O-N 2.94Å
1016D53Low75.9Confident143 Ų14356.4 Ų56.477%0.76532%0.322SS*.  trans-39.8127-179.6-97.5-34.5000111.2G1018 S1019D1016-G1018 PolarHBondContact O-N 3.5Å; D1016-S1019 WeakPolarHBondContact O-CB 3.28Å; D1016-S1019 PolarHBondContact O-N 2.86Å
1017E52.9Low75.9Confident213 Ų21364.1 Ų64.1100%0.99535%0.351SS*.THydrogen-bonded Turntrans-57.9-12.7175.4-71.6-175.3155.700112.3G1015G1015-E1017 PolarHBondContact O-N 2.94Å
1018G56.6Low75.8Confident71 Ų7166.3 Ų66.373%0.73236%0.357SS*.THydrogen-bonded Turntrans-94.69.7170.400000116.4D1016D1016-G1018 PolarHBondContact O-N 3.5Å
1019S67.9Low75.7Confident29 Ų2968.7 Ų68.720%0.20337%0.368CS..  trans-64.7126-178.7-178.70000111.9D1016 L1021D1016-S1019 WeakPolarHBondContact O-CB 3.28Å; D1016-S1019 PolarHBondContact O-N 2.86Å; S1019-L1021 PolarHBondContact O-N 2.71Å; S1019-L1021 VanDerWaalsContact O-N 3.07Å; S1019-L1021 PolarHBondContact OG-N 3.3Å
1020P74.2Confident75.3Confident81 Ų8173 Ų7353%0.52639%0.393SS..THydrogen-bonded Turntrans-69-5.6178.628.4-34.3000113.3L1022 P1023 T1024P1020-L1022 PolarHBondContact O-N 2.76Å; P1020-P1023 VanDerWaalsContact O-CD 3.27Å; P1020-P1023 WeakPolarHBondContact O-CD 3.23Å; P1020-T1024 VanDerWaalsContact O-CB 3.3Å; P1020-T1024 WeakPolarHBondContact O-CB 3.39Å; P1020-T1024 PolarHBondContact O-N 3.28Å; P1020-T1024 PolarHBondContact O-OG1 3.27Å
1021L80.4Confident75.2Confident1 Ų175.6 Ų75.61%0.00540%0.404CS..Hα-helixtrans-58.8-48.5-173.4-176.467.8000113.5L983 S1019 T1024 L1025 L1060 V1063L983-L1021 HydrophobicContact CD1-CD1 4.14Å; S1019-L1021 PolarHBondContact O-N 2.71Å; S1019-L1021 VanDerWaalsContact O-N 3.07Å; S1019-L1021 PolarHBondContact OG-N 3.3Å; L1021-T1024 PolarHBondContact O-N 2.82Å; L1021-L1025 HydrophobicContact CD1-CD1 4.08Å; L1021-L1025 HydrophobicContact CD1-CG 4.22Å; L1021-L1025 HydrophobicContact CG-CD1 3.95Å; L1021-L1025 HydrophobicContact CG-CG 4.42Å; L1021-L1025 WeakPolarHBondContact O-CB 3.46Å; L1021-L1025 VanDerWaalsContact O-CG 3.28Å; L1021-L1025 WeakPolarHBondContact O-CG 3.3Å; L1021-L1025 PolarHBondContact O-N 3.47Å; L1021-L1060 HydrophobicContact CD1-CB 4.29Å; L1021-L1060 HydrophobicContact CD2-CB 4.01Å; L1021-V1063 HydrophobicContact CD2-CB 3.75Å; L1021-V1063 HydrophobicContact CD2-CG1 3.96Å; L1021-V1063 HydrophobicContact CD2-CG2 4.23Å
1022L79.8Confident75.3Confident44 Ų4471.6 Ų71.623%0.2339%0.385CS..Hα-helixtrans-68-46.5-178.4-158.979.2000111.9I1012 P1020 T1024 L1025 K1026 F1042I1012-L1022 HydrophobicContact CD1-CB 3.81Å; I1012-L1022 HydrophobicContact CD1-CD1 3.86Å; I1012-L1022 HydrophobicContact CD1-CG 4.33Å; I1012-L1022 HydrophobicContact CG1-CD1 4.2Å; P1020-L1022 PolarHBondContact O-N 2.76Å; L1022-T1024 VanDerWaalsContact C-N 3.31Å; L1022-T1024 PolarHBondContact O-N 3.46Å; L1022-L1025 PolarHBondContact O-N 3.33Å; L1022-K1026 WeakPolarHBondContact O-CB 3.38Å; L1022-K1026 WeakPolarHBondContact O-CG 3.17Å; L1022-K1026 PolarHBondContact O-N 3.42Å; L1022-F1042 HydrophobicContact CD1-CB 4.12Å; L1022-F1042 HydrophobicContact CD1-CD1 4.21Å; L1022-F1042 HydrophobicContact CD1-CG 4.43Å
1023P82.9Confident75.4Confident66 Ų6672.2 Ų72.243%0.42939%0.387SS..Hα-helixtrans-53.8-45.3169.8-26.933.6000113.2P1020 K1026 R1027P1020-P1023 VanDerWaalsContact O-CD 3.27Å; P1020-P1023 WeakPolarHBondContact O-CD 3.23Å; P1023-K1026 PolarHBondContact O-N 3.16Å; P1023-R1027 WeakPolarHBondContact O-CG 3.49Å; P1023-R1027 PolarHBondContact O-N 3.06Å
1024T83.4Confident75.8Confident5 Ų573.8 Ų73.83%0.03140%0.396CS..Hα-helixtrans-61.8-50.5178.2-65.30000111.3E980 L983 P1020 L1021 L1022 K1026 R1027 W1028E980-T1024 HydrophobicContact CB-CG2 3.52Å; E980-T1024 HydrophobicContact CG-CG2 3.49Å; E980-T1024 VanDerWaalsContact CG-CG2 3.49Å; E980-T1024 PolarHBondContact OE1-OG1 3.41Å; L983-T1024 HydrophobicContact CD1-CG2 4.4Å; P1020-T1024 VanDerWaalsContact O-CB 3.3Å; P1020-T1024 WeakPolarHBondContact O-CB 3.39Å; P1020-T1024 PolarHBondContact O-N 3.28Å; P1020-T1024 PolarHBondContact O-OG1 3.27Å; L1021-T1024 PolarHBondContact O-N 2.82Å; L1022-T1024 VanDerWaalsContact C-N 3.31Å; L1022-T1024 PolarHBondContact O-N 3.46Å; T1024-K1026 VanDerWaalsContact C-N 3.28Å; T1024-K1026 PolarHBondContact O-N 3.1Å; T1024-R1027 WeakPolarHBondContact O-CB 3.44Å; T1024-R1027 PolarHBondContact O-N 3.41Å; T1024-R1027 VanDerWaalsContact O-N 3.13Å; T1024-W1028 PolarHBondContact O-N 2.8Å
1025L85.3Confident76.9Confident0 Ų072.6 Ų72.60%039%0.388CS..Hα-helixtrans-63.4-33.5179.1-69.2173.6000112.5L987 L1021 L1022 W1028 H1029 I1032 F1042 M1065L987-L1025 HydrophobicContact CB-CD2 4.32Å; L987-L1025 HydrophobicContact CD2-CD1 4Å; L987-L1025 HydrophobicContact CD2-CD2 3.88Å; L987-L1025 HydrophobicContact CD2-CG 4.46Å; L1021-L1025 HydrophobicContact CD1-CD1 4.08Å; L1021-L1025 HydrophobicContact CD1-CG 4.22Å; L1021-L1025 HydrophobicContact CG-CD1 3.95Å; L1021-L1025 HydrophobicContact CG-CG 4.42Å; L1021-L1025 WeakPolarHBondContact O-CB 3.46Å; L1021-L1025 VanDerWaalsContact O-CG 3.28Å; L1021-L1025 WeakPolarHBondContact O-CG 3.3Å; L1021-L1025 PolarHBondContact O-N 3.47Å; L1022-L1025 PolarHBondContact O-N 3.33Å; L1025-W1028 CarbonylContact O-C 3.6Å; L1025-W1028 PolarHBondContact O-N 3.21Å; L1025-H1029 PolarHBondContact O-N 3.46Å; L1025-H1029 VanDerWaalsContact O-N 3.13Å; L1025-I1032 HydrophobicContact CD2-CD1 4.2Å; L1025-F1042 HydrophobicContact CB-CE1 3.84Å; L1025-F1042 HydrophobicContact CB-CE2 4.42Å; L1025-F1042 HydrophobicContact CB-CZ 3.74Å; L1025-F1042 HydrophobicContact CD1-CE1 4.14Å; L1025-M1065 HydrophobicContact CD1-SD 4.23Å
1026K84.9Confident78.2Confident116 Ų11670.8 Ų70.850%0.50437%0.369SS..Hα-helixtrans-66.2-39.5173.2-77.3179.6177.1-177.60112.5L1022 P1023 T1024 W1028 H1029 F1042L1022-K1026 WeakPolarHBondContact O-CB 3.38Å; L1022-K1026 WeakPolarHBondContact O-CG 3.17Å; L1022-K1026 PolarHBondContact O-N 3.42Å; P1023-K1026 PolarHBondContact O-N 3.16Å; T1024-K1026 VanDerWaalsContact C-N 3.28Å; T1024-K1026 PolarHBondContact O-N 3.1Å; K1026-W1028 PolarHBondContact O-N 3.15Å; K1026-H1029 WeakPolarHBondContact O-CB 3.47Å; K1026-H1029 PolarHBondContact O-N 3.48Å; K1026-H1029 VanDerWaalsContact O-N 3.1Å; K1026-F1042 HydrophobicContact CG-CD2 3.92Å; K1026-F1042 HydrophobicContact CG-CG 4.42Å
1027R85.5Confident79.4Confident165 Ų16572.7 Ų72.762%0.62337%0.365SS*.Hα-helixtrans-60-33.6173.5-73.2-174.8-125.7149.71.2112.1E980 P1023 T1024E980-R1027 VanDerWaalsContact CD-NH1 3.28Å; E980-R1027 IonicContact OE1-CZ 2.65Å; E980-R1027 IonicContact OE1-NH1 3.84Å; E980-R1027 PolarHBondContact OE1-NH1 3.24Å; E980-R1027 IonicContact OE1-NH2 2.68Å; E980-R1027 IonicContact OE2-NH1 3.81Å; E980-R1027 PolarHBondContact OE2-NH1 2.97Å; P1023-R1027 WeakPolarHBondContact O-CG 3.49Å; P1023-R1027 PolarHBondContact O-N 3.06Å; T1024-R1027 WeakPolarHBondContact O-CB 3.44Å; T1024-R1027 PolarHBondContact O-N 3.41Å; T1024-R1027 VanDerWaalsContact O-N 3.13Å
1028W86.5Confident80.8Confident61 Ų6163 Ų6323%0.23132%0.32CS..THydrogen-bonded Turntrans-94.113.9177.6-69.589.6000113.9E981 A984 T1024 L1025 K1026 N1030 F1031 I1032E981-W1028 HydrophobicContact CB-CH2 3.61Å; E981-W1028 HydrophobicContact CB-CZ2 3.61Å; E981-W1028 HydrophobicContact CB-CZ3 4.2Å; E981-W1028 HydrophobicContact CG-CE3 4.36Å; E981-W1028 HydrophobicContact CG-CH2 3.54Å; E981-W1028 HydrophobicContact CG-CZ2 4.07Å; E981-W1028 HydrophobicContact CG-CZ3 3.71Å; A984-W1028 HydrophobicContact CB-CB 3.67Å; A984-W1028 HydrophobicContact CB-CD2 4.33Å; A984-W1028 HydrophobicContact CB-CG 3.94Å; T1024-W1028 PolarHBondContact O-N 2.8Å; L1025-W1028 CarbonylContact O-C 3.6Å; L1025-W1028 PolarHBondContact O-N 3.21Å; K1026-W1028 PolarHBondContact O-N 3.15Å; W1028-N1030 PolarHBondContact O-N 2.98Å; W1028-F1031 HydrophobicContact CE3-CB 3.81Å; W1028-F1031 HydrophobicContact CE3-CD1 4.07Å; W1028-F1031 AromaticContact CE3-CG 3.91Å; W1028-F1031 HydrophobicContact CE3-CG 3.91Å; W1028-F1031 HydrophobicContact CZ3-CB 4.49Å; W1028-F1031 HydrophobicContact CZ3-CG 4.37Å; W1028-F1031 WeakPolarHBondContact O-CB 3.41Å; W1028-F1031 PolarHBondContact O-N 3.17Å; W1028-F1031 VanDerWaalsContact O-N 3.12Å; W1028-I1032 HydrophobicContact CB-CD1 4.31Å; W1028-I1032 WeakPolarHBondContact O-CG1 3.48Å; W1028-I1032 PolarHBondContact O-N 2.95Å
1029H85.5Confident82Confident51 Ų5160.1 Ų60.124%0.23629%0.288CS..Hα-helixtrans-54.5-50.1-175.9176.2-82.9000112.3L1025 K1026 F1031 I1032 E1033 I1040 F1042L1025-H1029 PolarHBondContact O-N 3.46Å; L1025-H1029 VanDerWaalsContact O-N 3.13Å; K1026-H1029 WeakPolarHBondContact O-CB 3.47Å; K1026-H1029 PolarHBondContact O-N 3.48Å; K1026-H1029 VanDerWaalsContact O-N 3.1Å; H1029-F1031 VanDerWaalsContact C-N 3.31Å; H1029-F1031 PolarHBondContact O-N 3.1Å; H1029-I1032 PolarHBondContact O-N 3.02Å; H1029-I1032 VanDerWaalsContact O-N 3.13Å; H1029-E1033 IonicContact CE1-OE2 3.83Å; H1029-E1033 PolarHBondContact CE1-OE2 3.11Å; H1029-E1033 IonicContact ND1-OE2 2.73Å; H1029-E1033 WeakPolarHBondContact O-CB 3.1Å; H1029-E1033 PolarHBondContact O-N 3.49Å; H1029-I1040 PolarHBondContact NE2-O 3.4Å; H1029-F1042 HydrophobicContact CB-CE2 4.32Å; H1029-F1042 AromaticContact CD2-CE2 3.73Å
1030N82.2Confident83Confident115 Ų11558.7 Ų58.762%0.61528%0.279SS*.Hα-helixtrans-57.4-42.1178.2-74.2-20.5000112.7W1028 Q1034W1028-N1030 PolarHBondContact O-N 2.98Å; N1030-Q1034 WeakPolarHBondContact O-CB 3.42Å; N1030-Q1034 VanDerWaalsContact O-CG 3.26Å; N1030-Q1034 WeakPolarHBondContact O-CG 3.13Å; N1030-Q1034 PolarHBondContact O-N 3.15Å
1031F85.3Confident83.6Confident56 Ų5659 Ų5925%0.24627%0.272CS..Hα-helixtrans-64.6-43.4178.2167.5-97.2000111.5A984 R985 W1028 H1029 S1035A984-F1031 HydrophobicContact CB-CD1 4.02Å; A984-F1031 HydrophobicContact CB-CE1 4.21Å; R985-F1031 HydrophobicContact CG-CE1 3.82Å; R985-F1031 HydrophobicContact CG-CZ 3.75Å; W1028-F1031 HydrophobicContact CE3-CB 3.81Å; W1028-F1031 HydrophobicContact CE3-CD1 4.07Å; W1028-F1031 AromaticContact CE3-CG 3.91Å; W1028-F1031 HydrophobicContact CE3-CG 3.91Å; W1028-F1031 HydrophobicContact CZ3-CB 4.49Å; W1028-F1031 HydrophobicContact CZ3-CG 4.37Å; W1028-F1031 WeakPolarHBondContact O-CB 3.41Å; W1028-F1031 PolarHBondContact O-N 3.17Å; W1028-F1031 VanDerWaalsContact O-N 3.12Å; H1029-F1031 VanDerWaalsContact C-N 3.31Å; H1029-F1031 PolarHBondContact O-N 3.1Å; F1031-S1035 VanDerWaalsContact O-CB 3.24Å; F1031-S1035 WeakPolarHBondContact O-CB 3.32Å; F1031-S1035 PolarHBondContact O-N 2.68Å; F1031-S1035 PolarHBondContact O-OG 2.81Å
1032I86.1Confident83.9Confident0 Ų060.3 Ų60.30%028%0.277CS..Hα-helixtrans-65.5-46179.9-63.7162.1000109.7A984 L987 V988 L1025 W1028 H1029 S1035 L1036 I1040 F1042A984-I1032 HydrophobicContact CB-CD1 4.15Å; A984-I1032 HydrophobicContact CB-CG1 4.07Å; L987-I1032 HydrophobicContact CD2-CD1 4.18Å; V988-I1032 HydrophobicContact CG2-CB 4.18Å; V988-I1032 HydrophobicContact CG2-CG1 4.15Å; V988-I1032 HydrophobicContact CG2-CG2 3.85Å; L1025-I1032 HydrophobicContact CD2-CD1 4.2Å; W1028-I1032 HydrophobicContact CB-CD1 4.31Å; W1028-I1032 WeakPolarHBondContact O-CG1 3.48Å; W1028-I1032 PolarHBondContact O-N 2.95Å; H1029-I1032 PolarHBondContact O-N 3.02Å; H1029-I1032 VanDerWaalsContact O-N 3.13Å; I1032-S1035 PolarHBondContact O-N 2.69Å; I1032-L1036 HydrophobicContact CG2-CD1 3.7Å; I1032-L1036 HydrophobicContact CG2-CG 4.4Å; I1032-L1036 WeakPolarHBondContact O-CB 3.34Å; I1032-L1036 VanDerWaalsContact O-CG 3.26Å; I1032-L1036 WeakPolarHBondContact O-CG 3.47Å; I1032-L1036 PolarHBondContact O-N 2.96Å; I1032-I1040 HydrophobicContact CG2-CD1 3.59Å; I1032-I1040 HydrophobicContact CG2-CG2 4.12Å; I1032-F1042 HydrophobicContact CD1-CZ 4.01Å
1033E83.6Confident83.9Confident67 Ų6760.7 Ų60.731%0.31328%0.284SS..Hα-helixtrans-62.8-46180-156.3179.9-17600111.6H1029 S1035 L1036 R1037 Q1038 P1039 I1040H1029-E1033 IonicContact CE1-OE2 3.83Å; H1029-E1033 PolarHBondContact CE1-OE2 3.11Å; H1029-E1033 IonicContact ND1-OE2 2.73Å; H1029-E1033 WeakPolarHBondContact O-CB 3.1Å; H1029-E1033 PolarHBondContact O-N 3.49Å; E1033-S1035 VanDerWaalsContact C-N 3.33Å; E1033-S1035 PolarHBondContact O-N 2.95Å; E1033-L1036 PolarHBondContact O-N 3.23Å; E1033-R1037 WeakPolarHBondContact O-CA 3.43Å; E1033-R1037 PolarHBondContact O-N 3.2Å; E1033-Q1038 WeakPolarHBondContact CG-O 3.41Å; E1033-Q1038 PolarHBondContact O-N 3Å; E1033-P1039 WeakPolarHBondContact OE1-CA 3.44Å; E1033-I1040 HydrophobicContact CB-CG2 4.32Å
1034Q81.7Confident83.5Confident150 Ų15061.2 Ų61.270%0.70129%0.288SS*.Hα-helixtrans-61.9-40.4175.1-74.9179.1-0.600112.2N1030 L1036 R1037N1030-Q1034 WeakPolarHBondContact O-CB 3.42Å; N1030-Q1034 VanDerWaalsContact O-CG 3.26Å; N1030-Q1034 WeakPolarHBondContact O-CG 3.13Å; N1030-Q1034 PolarHBondContact O-N 3.15Å; Q1034-L1036 VanDerWaalsContact C-N 3.31Å; Q1034-L1036 PolarHBondContact O-N 2.91Å; Q1034-R1037 PolarHBondContact O-N 3.05Å
1035S82.6Confident83.1Confident49 Ų4963 Ų6334%0.34330%0.299SS..Hα-helixtrans-68.1-30.4178.5-630000112.9F1031 I1032 E1033F1031-S1035 VanDerWaalsContact O-CB 3.24Å; F1031-S1035 WeakPolarHBondContact O-CB 3.32Å; F1031-S1035 PolarHBondContact O-N 2.68Å; F1031-S1035 PolarHBondContact O-OG 2.81Å; I1032-S1035 PolarHBondContact O-N 2.69Å; E1033-S1035 VanDerWaalsContact C-N 3.33Å; E1033-S1035 PolarHBondContact O-N 2.95Å
1036L81.9Confident82.3Confident4 Ų466.1 Ų66.12%0.02132%0.321CS..Hα-helixtrans-88.4-19.3177.3-66.3171.9000113V988 I991 Q992 R995 I1032 E1033 Q1034 Q1038 I1040V988-L1036 HydrophobicContact CG1-CD2 4.04Å; I991-L1036 HydrophobicContact CB-CD2 3.97Å; I991-L1036 HydrophobicContact CD1-CD1 3.66Å; I991-L1036 HydrophobicContact CG2-CD1 4.11Å; I991-L1036 HydrophobicContact CG2-CD2 3.6Å; Q992-L1036 HydrophobicContact CG-CD2 4.13Å; R995-L1036 PolarHBondContact NH1-O 2.74Å; I1032-L1036 HydrophobicContact CG2-CD1 3.7Å; I1032-L1036 HydrophobicContact CG2-CG 4.4Å; I1032-L1036 WeakPolarHBondContact O-CB 3.34Å; I1032-L1036 VanDerWaalsContact O-CG 3.26Å; I1032-L1036 WeakPolarHBondContact O-CG 3.47Å; I1032-L1036 PolarHBondContact O-N 2.96Å; E1033-L1036 PolarHBondContact O-N 3.23Å; Q1034-L1036 VanDerWaalsContact C-N 3.31Å; Q1034-L1036 PolarHBondContact O-N 2.91Å; L1036-Q1038 PolarHBondContact O-N 2.75Å; L1036-I1040 HydrophobicContact CD1-CD1 4.24Å
1037R78.6Confident81.1Confident182 Ų18271.2 Ų71.269%0.68734%0.343SS*.THydrogen-bonded Turntrans55.326.1-168.1-60-174.8178169.23.5113.3D743 E1033 Q1034D743-R1037 IonicContact OD1-CZ 2.71Å; D743-R1037 IonicContact OD1-NH1 2.84Å; D743-R1037 IonicContact OD1-NH2 3.25Å; D743-R1037 PolarHBondContact OD1-NH2 3.15Å; E1033-R1037 WeakPolarHBondContact O-CA 3.43Å; E1033-R1037 PolarHBondContact O-N 3.2Å; Q1034-R1037 PolarHBondContact O-N 3.05Å
1038Q81.4Confident79.8Confident9 Ų972 Ų724%0.04235%0.354CS..SBendtrans-151.3153.1-171.7-72.2-172.8-19.500112.4R995 D1004 V1006 E1033 L1036 I1040R995-Q1038 VanDerWaalsContact NH1-CD 3.34Å; D1004-Q1038 PolarHBondContact O-NE2 3.47Å; V1006-Q1038 PolarHBondContact O-OE1 2.76Å; E1033-Q1038 WeakPolarHBondContact CG-O 3.41Å; E1033-Q1038 PolarHBondContact O-N 3Å; L1036-Q1038 PolarHBondContact O-N 2.75Å; Q1038-I1040 PolarHBondContact O-N 2.84Å
1039P82.4Confident78.3Confident11 Ų1170.8 Ų70.87%0.07135%0.354CS..  trans-65.9134-178.2-9.622.7000112T1007 V1008 E1033 F1041 R1072T1007-P1039 HydrophobicContact CG2-CB 4.49Å; V1008-P1039 PolarHBondContact N-O 2.84Å; E1033-P1039 WeakPolarHBondContact OE1-CA 3.44Å; P1039-F1041 HydrophobicContact CB-CE2 3.89Å; P1039-F1041 HydrophobicContact CB-CZ 4.23Å; P1039-R1072 VanDerWaalsContact CG-CZ 3.47Å; P1039-R1072 VanDerWaalsContact CG-NH2 3.27Å
1040I87.8Confident77.3Confident0 Ų071.5 Ų71.50%036%0.362CS..EExtended strand (participates in β ladder)trans-122133.9173-171.1174.6000110.6L987 I991 V1008 H1029 I1032 E1033 L1036 Q1038 F1042L987-I1040 HydrophobicContact CD2-CD1 4.26Å; I991-I1040 HydrophobicContact CD1-CD1 3.7Å; V1008-I1040 HydrophobicContact CB-CG1 4.25Å; V1008-I1040 HydrophobicContact CG1-CG1 4.31Å; V1008-I1040 CarbonylContact O-C 3.46Å; V1008-I1040 WeakPolarHBondContact O-CA 3.24Å; H1029-I1040 PolarHBondContact NE2-O 3.4Å; I1032-I1040 HydrophobicContact CG2-CD1 3.59Å; I1032-I1040 HydrophobicContact CG2-CG2 4.12Å; E1033-I1040 HydrophobicContact CB-CG2 4.32Å; L1036-I1040 HydrophobicContact CD1-CD1 4.24Å; Q1038-I1040 PolarHBondContact O-N 2.84Å; I1040-F1042 HydrophobicContact CD1-CE1 4.27Å; I1040-F1042 HydrophobicContact CD1-CZ 4.11Å
1041F87.5Confident77Confident88 Ų8873.7 Ų73.739%0.38637%0.369SS..EExtended strand (participates in β ladder)trans-122.7127.1179.1-62.4-77000111.1T1007 V1008 Y1009 C1010 P1039 S1043T1007-F1041 HydrophobicContact CG2-CD2 3.61Å; T1007-F1041 HydrophobicContact CG2-CE2 3.52Å; V1008-F1041 PolarHBondContact O-N 2.76Å; Y1009-F1041 CarbonylContact C-O 3.47Å; Y1009-F1041 WeakPolarHBondContact CA-O 3.48Å; Y1009-F1041 HydrophobicContact CD1-CB 3.61Å; Y1009-F1041 HydrophobicContact CD1-CD2 4.27Å; Y1009-F1041 HydrophobicContact CD1-CG 4.31Å; Y1009-F1041 HydrophobicContact CE1-CB 3.65Å; Y1009-F1041 AromaticContact CE1-CD2 3.65Å; Y1009-F1041 HydrophobicContact CE1-CD2 3.65Å; Y1009-F1041 AromaticContact CE1-CG 3.86Å; Y1009-F1041 HydrophobicContact CE1-CG 3.86Å; Y1009-F1041 AromaticContact CZ-CD2 3.81Å; C1010-F1041 PolarHBondContact N-O 3.01Å; P1039-F1041 HydrophobicContact CB-CE2 3.89Å; P1039-F1041 HydrophobicContact CB-CZ 4.23Å; F1041-S1043 PolarHBondContact O-N 2.87Å
1042F86.2Confident77Confident27 Ų2775.5 Ų75.512%0.11838%0.377CS..SBendtrans-89.650.6174.2-64-69.6000111.3L987 C1010 L1022 L1025 K1026 H1029 I1032 I1040L987-F1042 HydrophobicContact CD2-CE1 3.86Å; L987-F1042 HydrophobicContact CD2-CZ 4.17Å; C1010-F1042 HydrophobicContact CB-CD1 3.79Å; C1010-F1042 HydrophobicContact CB-CE1 4.09Å; C1010-F1042 CarbonylContact O-C 3.52Å; C1010-F1042 WeakPolarHBondContact O-CA 3.35Å; L1022-F1042 HydrophobicContact CD1-CB 4.12Å; L1022-F1042 HydrophobicContact CD1-CD1 4.21Å; L1022-F1042 HydrophobicContact CD1-CG 4.43Å; L1025-F1042 HydrophobicContact CB-CE1 3.84Å; L1025-F1042 HydrophobicContact CB-CE2 4.42Å; L1025-F1042 HydrophobicContact CB-CZ 3.74Å; L1025-F1042 HydrophobicContact CD1-CE1 4.14Å; K1026-F1042 HydrophobicContact CG-CD2 3.92Å; K1026-F1042 HydrophobicContact CG-CG 4.42Å; H1029-F1042 HydrophobicContact CB-CE2 4.32Å; H1029-F1042 AromaticContact CD2-CE2 3.73Å; I1032-F1042 HydrophobicContact CD1-CZ 4.01Å; I1040-F1042 HydrophobicContact CD1-CE1 4.27Å; I1040-F1042 HydrophobicContact CD1-CZ 4.11Å
1043S79.8Confident77Confident52 Ų5278.5 Ų78.536%0.36439%0.392SS..SBendtrans-148.4161.4-177.865.80000109.4Y1009 C1010 F1041Y1009-S1043 WeakPolarHBondContact CD1-O 3.29Å; C1010-S1043 PolarHBondContact O-N 3.01Å; F1041-S1043 PolarHBondContact O-N 2.87Å
1044P76Confident77.4Confident78 Ų7876.8 Ų76.851%0.50639%0.385SS..PPolyproline II helixtrans-60.3149.916924-32.4000111.1
1045P74.5Confident77.7Confident41 Ų4171 Ų7127%0.26637%0.365SS..PPolyproline II helixtrans-60.6139.6175.723.7-31.8000110.9Y1009 C1049 F1070Y1009-P1045 HydrophobicContact CD1-CB 4.17Å; Y1009-P1045 HydrophobicContact CD2-CB 4.01Å; Y1009-P1045 HydrophobicContact CE1-CB 4.34Å; Y1009-P1045 HydrophobicContact CE2-CB 4.14Å; Y1009-P1045 HydrophobicContact CG-CB 4.02Å; P1045-C1049 HydrophobicContact CB-CB 4.25Å; P1045-F1070 HydrophobicContact CB-CE1 4.34Å; P1045-F1070 HydrophobicContact CB-CE2 3.9Å; P1045-F1070 HydrophobicContact CB-CZ 3.74Å; P1045-F1070 HydrophobicContact CG-CE2 4.01Å; P1045-F1070 HydrophobicContact CG-CZ 3.68Å
1046S67.7Low78.1Confident67 Ų6771.9 Ų71.947%0.46936%0.364SS..PPolyproline II helixtrans-69.7155.417676.60000110.4Q1048 C1049S1046-Q1048 PolarHBondContact O-N 2.97Å; S1046-C1049 WeakPolarHBondContact O-CB 3.11Å; S1046-C1049 PolarHBondContact O-N 3.05Å; S1046-C1049 PolarHBondContact O-SG 2.84Å; S1046-C1049 VanDerWaalsContact O-SG 3.41Å
1047K60.5Low78.4Confident223 Ų22376.7 Ų76.797%0.9739%0.386SS*.THydrogen-bonded Turntrans-57.3-14.3176.9-73.7-175.4178179.50114.1
1048Q58Low78.9Confident181 Ų18168.3 Ų68.385%0.84636%0.355SS*.THydrogen-bonded Turntrans-932.8178.5-73.9178.2-17.800114.1S1046 T1050S1046-Q1048 PolarHBondContact O-N 2.97Å; Q1048-T1050 PolarHBondContact O-N 2.92Å
1049C54.9Low79Confident36 Ų3674 Ų7424%0.24338%0.381CS..  trans-72.2118177.9-67.10000111.2Y1009 P1045 S1046 F1070Y1009-C1049 VanDerWaalsContact CZ-SG 3.59Å; Y1009-C1049 PolarHBondContact OH-SG 3.32Å; P1045-C1049 HydrophobicContact CB-CB 4.25Å; S1046-C1049 WeakPolarHBondContact O-CB 3.11Å; S1046-C1049 PolarHBondContact O-N 3.05Å; S1046-C1049 PolarHBondContact O-SG 2.84Å; S1046-C1049 VanDerWaalsContact O-SG 3.41Å; C1049-F1070 HydrophobicContact CB-CD1 3.84Å; C1049-F1070 HydrophobicContact CB-CE1 4.14Å; C1049-F1070 HydrophobicContact CB-CG 4.36Å
1050T65Low78.9Confident65 Ų6573.7 Ų73.740%0.39938%0.379SS..  trans-68143.2171.738.20000111.8Q1048 F1070 S1071Q1048-T1050 PolarHBondContact O-N 2.92Å; T1050-F1070 WeakPolarHBondContact O-CD1 3.47Å; T1050-S1071 PolarHBondContact OG1-O 2.98Å
1051Q75.9Confident78.4Confident161 Ų16178.6 Ų78.675%0.75240%0.402SS*.  trans12110176-162.1172.9700117.1I1053 S1071Q1051-I1053 PolarHBondContact O-N 2.86Å; Q1051-S1071 PolarHBondContact O-N 3.29Å
1052K85.8Confident77.9Confident95 Ų9583.3 Ų83.341%0.41342%0.422SS..EExtended strand (participates in β ladder)trans-57.3121.7166.1-178.5175.3173.5176.50109.6E1068 F1070K1052-E1068 WeakPolarHBondContact CE-OE1 3.46Å; K1052-E1068 IonicContact NZ-OE1 2.8Å; K1052-E1068 PolarHBondContact NZ-OE1 3.31Å; K1052-F1070 HydrophobicContact CB-CD1 4.02Å; K1052-F1070 HydrophobicContact CB-CE1 3.61Å; K1052-F1070 HydrophobicContact CB-CZ 3.98Å; K1052-F1070 HydrophobicContact CD-CZ 4.4Å; K1052-F1070 HydrophobicContact CG-CE1 4.29Å; K1052-F1070 HydrophobicContact CG-CZ 4.17Å
1053I85.9Confident77.6Confident63 Ų6382.5 Ų82.532%0.32342%0.42SS..EExtended strand (participates in β ladder)trans-80.6-50.4176.6-60.8168.7000109.3A998 L1000 V1006 Q1051 I1069A998-I1053 HydrophobicContact CB-CG2 3.8Å; L1000-I1053 HydrophobicContact CD1-CD1 4.19Å; L1000-I1053 HydrophobicContact CD1-CG2 4.2Å; L1000-I1053 HydrophobicContact CD2-CD1 4.19Å; V1006-I1053 HydrophobicContact CB-CD1 4.39Å; V1006-I1053 HydrophobicContact CG1-CD1 3.51Å; Q1051-I1053 PolarHBondContact O-N 2.86Å; I1053-I1069 WeakPolarHBondContact CB-O 3.27Å; I1053-I1069 HydrophobicContact CD1-CG2 4.27Å; I1053-I1069 PolarHBondContact N-O 2.97Å
1054I90.4Very high77.8Confident31 Ų3180.7 Ų80.716%0.15941%0.408CS..EExtended strand (participates in β ladder)trans-157.4155.5-178.7-166.6165.7000109.8L994 K997 A998 E1068 I1069L994-I1054 HydrophobicContact CD2-CB 4.21Å; L994-I1054 HydrophobicContact CD2-CD1 4.11Å; L994-I1054 HydrophobicContact CD2-CG1 3.81Å; L994-I1054 HydrophobicContact CD2-CG2 3.56Å; K997-I1054 HydrophobicContact CB-CD1 4.05Å; K997-I1054 HydrophobicContact CD-CD1 4.03Å; K997-I1054 HydrophobicContact CG-CD1 3.88Å; A998-I1054 HydrophobicContact CB-CB 4.15Å; A998-I1054 HydrophobicContact CB-CD1 4.21Å; A998-I1054 HydrophobicContact CB-CG2 3.79Å; I1054-E1068 WeakPolarHBondContact O-CA 3.42Å; I1054-I1069 HydrophobicContact CG2-CB 3.97Å; I1054-I1069 HydrophobicContact CG2-CD1 4.08Å; I1054-I1069 HydrophobicContact CG2-CG1 4.14Å; I1054-I1069 PolarHBondContact N-O 3.48Å; I1054-I1069 PolarHBondContact O-N 2.83Å
1055G88.5Confident78.3Confident28 Ų2877 Ų7729%0.28938%0.384SS..EExtended strand (participates in β ladder)trans-150.8145.4164.600000111.3V1067G1055-V1067 CarbonylContact C-O 3.59Å; G1055-V1067 WeakPolarHBondContact CA-O 3.35Å
1056E90.7Very high79Confident68 Ų6875.9 Ų75.932%0.31838%0.375SS..EExtended strand (participates in β ladder)trans-143.1133.8-179.3-169.5173.1137.900110.7L994 K997 I1058 M1066 V1067L994-E1056 HydrophobicContact CD1-CB 3.95Å; L994-E1056 HydrophobicContact CD2-CB 3.85Å; L994-E1056 HydrophobicContact CG-CB 4.04Å; K997-E1056 IonicContact NZ-OE2 3.66Å; K997-E1056 PolarHBondContact NZ-OE2 3.36Å; E1056-I1058 PolarHBondContact O-N 3.28Å; E1056-M1066 VanDerWaalsContact CA-CE 3.46Å; E1056-M1066 WeakPolarHBondContact O-CE 3.16Å; E1056-V1067 PolarHBondContact N-O 2.82Å; E1056-V1067 PolarHBondContact O-N 2.96Å
1057Q89.7Confident80.1Confident105 Ų10572.7 Ų72.749%0.49135%0.353SS..EExtended strand (participates in β ladder)trans-77.6123.7174.4-176.2174.8-45.700108A1064 M1065 M1066Q1057-A1064 HydrophobicContact CG-CB 4.44Å; Q1057-M1065 CarbonylContact C-O 3.52Å; Q1057-M1065 WeakPolarHBondContact CA-O 3.4Å; Q1057-M1066 HydrophobicContact CB-CE 4.47Å; Q1057-M1066 HydrophobicContact CB-SD 4.25Å; Q1057-M1066 VanDerWaalsContact N-CE 3.33Å
1058I87.9Confident81.5Confident6 Ų663.4 Ų63.43%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-114.5155.5177.667.5169.1000109.7L987 R990 E1056 L1060 M1065 V1067L987-I1058 HydrophobicContact CD1-CD1 3.92Å; R990-I1058 HydrophobicContact CB-CD1 3.8Å; R990-I1058 HydrophobicContact CB-CG2 4.34Å; R990-I1058 HydrophobicContact CG-CD1 3.91Å; R990-I1058 HydrophobicContact CG-CG2 4.46Å; E1056-I1058 PolarHBondContact O-N 3.28Å; I1058-L1060 HydrophobicContact CD1-CD1 4.04Å; I1058-L1060 HydrophobicContact CD1-CG 4.14Å; I1058-M1065 HydrophobicContact CD1-CE 3.71Å; I1058-M1065 HydrophobicContact CG1-CB 4.25Å; I1058-M1065 HydrophobicContact CG1-CE 4.15Å; I1058-M1065 WeakPolarHBondContact CG1-O 3.41Å; I1058-M1065 PolarHBondContact N-O 2.83Å; I1058-M1065 PolarHBondContact O-N 2.79Å; I1058-M1065 VanDerWaalsContact O-O 3.14Å; I1058-V1067 HydrophobicContact CD1-CG2 3.56Å; I1058-V1067 HydrophobicContact CG1-CG2 3.83Å
1059E84.8Confident83Confident128 Ų12854.8 Ų54.860%0.59827%0.273SS*.EExtended strand (participates in β ladder)trans-112.5125.7174.8-165.4-178.8158.900108.9K1062 V1063E1059-K1062 WeakPolarHBondContact OE1-CA 3.42Å; E1059-V1063 WeakPolarHBondContact CA-O 3.44Å
1060L79.8Confident84.6Confident4 Ų454 Ų542%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-127.3120.4175.7-67.8177.2000108E986 L987 L1021 I1058 K1062 V1063 M1065E986-L1060 HydrophobicContact CB-CD2 4Å; E986-L1060 HydrophobicContact CG-CD2 3.26Å; L987-L1060 HydrophobicContact CB-CD1 4.22Å; L987-L1060 HydrophobicContact CD1-CD1 4.39Å; L1021-L1060 HydrophobicContact CD1-CB 4.29Å; L1021-L1060 HydrophobicContact CD2-CB 4.01Å; I1058-L1060 HydrophobicContact CD1-CD1 4.04Å; I1058-L1060 HydrophobicContact CD1-CG 4.14Å; L1060-K1062 VanDerWaalsContact C-N 3.26Å; L1060-K1062 PolarHBondContact O-N 3.1Å; L1060-V1063 PolarHBondContact N-O 3.28Å; L1060-V1063 WeakPolarHBondContact O-CB 3.07Å; L1060-V1063 PolarHBondContact O-N 2.86Å; L1060-M1065 HydrophobicContact CD1-CE 3.96Å
1061Q77.8Confident85.3Confident103 Ų10352.9 Ų52.948%0.48126%0.26SS..THydrogen-bonded Turntrans48.244.2-175.9-83.8-175.5-14.600114L983 V1063L983-Q1061 HydrophobicContact CD1-CG 4.47Å; L983-Q1061 HydrophobicContact CD2-CB 4.49Å; L983-Q1061 HydrophobicContact CD2-CG 3.6Å; Q1061-V1063 PolarHBondContact O-N 2.82Å
1062K76.1Confident84.8Confident187 Ų18751.3 Ų51.381%0.81325%0.247SC*.THydrogen-bonded Turntrans66.210.8-177.8-48.6177.5178.6179.10115.4E1059 L1060E1059-K1062 WeakPolarHBondContact OE1-CA 3.42Å; L1060-K1062 VanDerWaalsContact C-N 3.26Å; L1060-K1062 PolarHBondContact O-N 3.1Å
1063V80.6Confident83Confident11 Ų1149.8 Ų49.87%0.06725%0.252CS..EExtended strand (participates in β ladder)trans-102.2127.8173-177.60000109.2I1012 L1021 E1059 L1060 Q1061I1012-V1063 HydrophobicContact CD1-CG1 4.36Å; I1012-V1063 HydrophobicContact CG1-CG1 4.42Å; I1012-V1063 HydrophobicContact CG2-CG1 3.76Å; L1021-V1063 HydrophobicContact CD2-CB 3.75Å; L1021-V1063 HydrophobicContact CD2-CG1 3.96Å; L1021-V1063 HydrophobicContact CD2-CG2 4.23Å; E1059-V1063 WeakPolarHBondContact CA-O 3.44Å; L1060-V1063 PolarHBondContact N-O 3.28Å; L1060-V1063 WeakPolarHBondContact O-CB 3.07Å; L1060-V1063 PolarHBondContact O-N 2.86Å; Q1061-V1063 PolarHBondContact O-N 2.82Å
1064A83.8Confident80.6Confident14 Ų1453.2 Ų53.212%0.11628%0.276CS..EExtended strand (participates in β ladder)trans-82.2120.9177.100000110.6K1013 S1014 Q1057K1013-A1064 PolarHBondContact N-O 2.92Å; S1014-A1064 PolarHBondContact O-N 3.47Å; Q1057-A1064 HydrophobicContact CG-CB 4.44Å
1065M86.6Confident77.7Confident0 Ų059.8 Ų59.80%031%0.308CS..EExtended strand (participates in β ladder)trans-124.6129.9178.9-168178.572.900110.8L987 C1010 Q1011 I1012 L1025 Q1057 I1058 L1060 V1067L987-M1065 HydrophobicContact CD1-CE 3.34Å; L987-M1065 HydrophobicContact CD2-CE 4.19Å; L987-M1065 HydrophobicContact CG-CE 4.39Å; C1010-M1065 HydrophobicContact CB-CE 4.07Å; C1010-M1065 HydrophobicContact CB-SD 3.93Å; Q1011-M1065 CarbonylContact O-C 3.38Å; Q1011-M1065 WeakPolarHBondContact O-CA 3.31Å; Q1011-M1065 WeakPolarHBondContact O-CG 3.19Å; I1012-M1065 HydrophobicContact CG1-CG 4.35Å; L1025-M1065 HydrophobicContact CD1-SD 4.23Å; Q1057-M1065 CarbonylContact C-O 3.52Å; Q1057-M1065 WeakPolarHBondContact CA-O 3.4Å; I1058-M1065 HydrophobicContact CD1-CE 3.71Å; I1058-M1065 HydrophobicContact CG1-CB 4.25Å; I1058-M1065 HydrophobicContact CG1-CE 4.15Å; I1058-M1065 WeakPolarHBondContact CG1-O 3.41Å; I1058-M1065 PolarHBondContact N-O 2.83Å; I1058-M1065 PolarHBondContact O-N 2.79Å; I1058-M1065 VanDerWaalsContact O-O 3.14Å; L1060-M1065 HydrophobicContact CD1-CE 3.96Å; M1065-V1067 HydrophobicContact CE-CG2 3.6Å
1066M88.7Confident74.7Confident17 Ų1762.8 Ų62.88%0.08432%0.323CS..EExtended strand (participates in β ladder)trans-82.3121.1172-165.867.3-106.100109.4C1010 Q1011 K1013 E1056 Q1057 E1068C1010-M1066 CarbonylContact C-O 3.57Å; C1010-M1066 WeakPolarHBondContact CA-O 3.45Å; Q1011-M1066 HydrophobicContact CB-CB 4.44Å; Q1011-M1066 PolarHBondContact N-O 2.7Å; Q1011-M1066 WeakPolarHBondContact O-CB 3.49Å; Q1011-M1066 PolarHBondContact O-N 2.84Å; K1013-M1066 HydrophobicContact CD-CB 4.16Å; K1013-M1066 HydrophobicContact CD-SD 4.23Å; K1013-M1066 VanDerWaalsContact CE-SD 3.51Å; K1013-M1066 HydrophobicContact CG-CB 4.09Å; K1013-M1066 PolarHBondContact NZ-SD 2.8Å; K1013-M1066 VanDerWaalsContact NZ-SD 3.44Å; E1056-M1066 VanDerWaalsContact CA-CE 3.46Å; E1056-M1066 WeakPolarHBondContact O-CE 3.16Å; Q1057-M1066 HydrophobicContact CB-CE 4.47Å; Q1057-M1066 HydrophobicContact CB-SD 4.25Å; Q1057-M1066 VanDerWaalsContact N-CE 3.33Å; M1066-E1068 HydrophobicContact CE-CG 4.19Å; M1066-E1068 HydrophobicContact CG-CG 3.99Å
1067V90.3Very high71.6Confident0 Ų065.4 Ų65.40%035%0.346CS..EExtended strand (participates in β ladder)trans-110.8128172.21790000109L987 I991 L994 V1008 Y1009 G1055 E1056 I1058 M1065L987-V1067 HydrophobicContact CD1-CG2 4.19Å; I991-V1067 HydrophobicContact CG1-CG1 3.8Å; L994-V1067 HydrophobicContact CD1-CB 4.01Å; L994-V1067 HydrophobicContact CD1-CG1 3.87Å; V1008-V1067 HydrophobicContact CG1-CG1 4Å; Y1009-V1067 WeakPolarHBondContact O-CA 3.44Å; G1055-V1067 CarbonylContact C-O 3.59Å; G1055-V1067 WeakPolarHBondContact CA-O 3.35Å; E1056-V1067 PolarHBondContact N-O 2.82Å; E1056-V1067 PolarHBondContact O-N 2.96Å; I1058-V1067 HydrophobicContact CD1-CG2 3.56Å; I1058-V1067 HydrophobicContact CG1-CG2 3.83Å; M1065-V1067 HydrophobicContact CE-CG2 3.6Å
1068E90.1Very high68.6Low29 Ų2969.5 Ų69.514%0.13636%0.362CS..EExtended strand (participates in β ladder)trans-132140.1-176.7-56.6-172.9130.200110.8V1008 Y1009 K1052 I1054 M1066 F1070V1008-E1068 CarbonylContact C-O 3.59Å; V1008-E1068 WeakPolarHBondContact CA-O 3.42Å; Y1009-E1068 PolarHBondContact N-O 3.07Å; Y1009-E1068 PolarHBondContact O-N 3.37Å; K1052-E1068 WeakPolarHBondContact CE-OE1 3.46Å; K1052-E1068 IonicContact NZ-OE1 2.8Å; K1052-E1068 PolarHBondContact NZ-OE1 3.31Å; I1054-E1068 WeakPolarHBondContact O-CA 3.42Å; M1066-E1068 HydrophobicContact CE-CG 4.19Å; M1066-E1068 HydrophobicContact CG-CG 3.99Å; E1068-F1070 HydrophobicContact CB-CD2 4.29Å; E1068-F1070 HydrophobicContact CB-CE2 3.58Å; E1068-F1070 HydrophobicContact CB-CZ 4.41Å
1069I89.5Confident65.7Low0 Ų073.1 Ų73.10%039%0.393CS..EExtended strand (participates in β ladder)trans-118.5130.2179.9-54.8-175.8000108.4L994 R995 L1000 V1006 T1007 V1008 I1053 I1054L994-I1069 HydrophobicContact CB-CD1 3.93Å; R995-I1069 HydrophobicContact CG-CD1 3.63Å; L1000-I1069 HydrophobicContact CD1-CG2 3.99Å; V1006-I1069 HydrophobicContact CB-CG2 3.62Å; V1006-I1069 HydrophobicContact CG1-CG2 4.13Å; V1006-I1069 HydrophobicContact CG2-CG2 3.53Å; T1007-I1069 WeakPolarHBondContact O-CA 3.34Å; V1008-I1069 HydrophobicContact CG2-CG1 4.33Å; I1053-I1069 WeakPolarHBondContact CB-O 3.27Å; I1053-I1069 HydrophobicContact CD1-CG2 4.27Å; I1053-I1069 PolarHBondContact N-O 2.97Å; I1054-I1069 HydrophobicContact CG2-CB 3.97Å; I1054-I1069 HydrophobicContact CG2-CD1 4.08Å; I1054-I1069 HydrophobicContact CG2-CG1 4.14Å; I1054-I1069 PolarHBondContact N-O 3.48Å; I1054-I1069 PolarHBondContact O-N 2.83Å
1070F87.8Confident63.1Low18 Ų1873.5 Ų73.58%0.07940%0.399CS..EExtended strand (participates in β ladder)trans-121.1147.4-178-70.1-102.9000110.6V1006 T1007 Y1009 P1045 C1049 T1050 K1052 E1068V1006-F1070 VanDerWaalsContact CA-O 3.32Å; V1006-F1070 WeakPolarHBondContact CA-O 3.43Å; V1006-F1070 VanDerWaalsContact CB-O 3.29Å; V1006-F1070 WeakPolarHBondContact CB-O 3.25Å; T1007-F1070 PolarHBondContact N-O 3.4Å; T1007-F1070 PolarHBondContact O-N 2.86Å; Y1009-F1070 AromaticContact CD2-CD2 3.51Å; Y1009-F1070 HydrophobicContact CD2-CD2 3.51Å; Y1009-F1070 AromaticContact CD2-CE2 3.79Å; Y1009-F1070 HydrophobicContact CD2-CE2 3.79Å; Y1009-F1070 HydrophobicContact CD2-CG 4.38Å; Y1009-F1070 AromaticContact CE2-CD2 3.99Å; Y1009-F1070 HydrophobicContact CE2-CD2 3.99Å; Y1009-F1070 HydrophobicContact CE2-CE2 4.48Å; Y1009-F1070 HydrophobicContact CE2-CG 4.44Å; P1045-F1070 HydrophobicContact CB-CE1 4.34Å; P1045-F1070 HydrophobicContact CB-CE2 3.9Å; P1045-F1070 HydrophobicContact CB-CZ 3.74Å; P1045-F1070 HydrophobicContact CG-CE2 4.01Å; P1045-F1070 HydrophobicContact CG-CZ 3.68Å; C1049-F1070 HydrophobicContact CB-CD1 3.84Å; C1049-F1070 HydrophobicContact CB-CE1 4.14Å; C1049-F1070 HydrophobicContact CB-CG 4.36Å; T1050-F1070 WeakPolarHBondContact O-CD1 3.47Å; K1052-F1070 HydrophobicContact CB-CD1 4.02Å; K1052-F1070 HydrophobicContact CB-CE1 3.61Å; K1052-F1070 HydrophobicContact CB-CZ 3.98Å; K1052-F1070 HydrophobicContact CD-CZ 4.4Å; K1052-F1070 HydrophobicContact CG-CE1 4.29Å; K1052-F1070 HydrophobicContact CG-CZ 4.17Å; E1068-F1070 HydrophobicContact CB-CD2 4.29Å; E1068-F1070 HydrophobicContact CB-CE2 3.58Å; E1068-F1070 HydrophobicContact CB-CZ 4.41Å
1071S80.2Confident60.8Low42 Ų4280.8 Ų80.829%0.29443%0.431SS..EExtended strand (participates in β ladder)trans-70.6136.1173.665.20000109.9T1050 Q1051T1050-S1071 PolarHBondContact OG1-O 2.98Å; Q1051-S1071 PolarHBondContact O-N 3.29Å
1072R66.9Low58.5Low129 Ų12981.9 Ų81.949%0.48744%0.44SS..PPolyproline II helixtrans-82.4122.2174.1-144.4172.6-169.5-178.41.6107.8D1005 P1039 T1074D1005-R1072 HydrophobicContact CB-CB 4.12Å; D1005-R1072 WeakPolarHBondContact O-CB 3.08Å; D1005-R1072 PolarHBondContact O-N 3.41Å; P1039-R1072 VanDerWaalsContact CG-CZ 3.47Å; P1039-R1072 VanDerWaalsContact CG-NH2 3.27Å; R1072-T1074 PolarHBondContact O-N 2.83Å
1073A47.8Very low56.5Low62 Ų6279.1 Ų79.151%0.51243%0.434SS..PPolyproline II helixtrans-56.6137.4176.300000110.3M1075A1073-M1075 PolarHBondContact O-N 3.33Å
1074T34.8Very low54.4Low135 Ų13583.9 Ų83.983%0.82846%0.455SS*.  trans-51.7113.8157.135.80000106.8R1072R1072-T1074 PolarHBondContact O-N 2.83Å
1075M28.7Very low52.5Low169 Ų16993.2 Ų93.283%0.83349%0.487SS*.PPolyproline II helixtrans-50131.5173.7-75-165.6175.500108.7A1073A1073-M1075 PolarHBondContact O-N 3.33Å
1076P25.5Very low50.6Low92 Ų9294.6 Ų94.660%0.59749%0.494SS*.PPolyproline II helixtrans-59.8154157.327-25.4000107.4K1078P1076-K1078 PolarHBondContact O-N 3.24Å
1077P26.5Very low48.7Very low123 Ų12397.4 Ų97.480%0.79951%0.506SS*.THydrogen-bonded Turntrans-57117.2-173.626.4-32.7000108A1079P1077-A1079 PolarHBondContact O-N 3.06Å
1078K27.1Very low46.9Very low191 Ų19199.6 Ų99.683%0.8352%0.52SS*.THydrogen-bonded Turntrans14.775.5172.3-77.1179.6172.7178.20113P1076P1076-K1078 PolarHBondContact O-N 3.24Å
1079A26.4Very low45Very low82 Ų82103.6 Ų103.668%0.67854%0.538SS*.  trans-90.9103.6159.100000105.3P1077P1077-A1079 PolarHBondContact O-N 3.06Å
1080D29.4Very low43.4Very low136 Ų136104.3 Ų104.373%0.72754%0.543SS*.  trans44.1104.9172-63-28.9000118.5D1082D1080-D1082 HydrophobicContact CB-CB 4.21Å; D1080-D1082 PolarHBondContact O-N 3.06Å
1081K31.8Very low41.6Very low157 Ų157107.4 Ų107.468%0.68356%0.563SS**  trans-67.937156-100.6-166.6168.1-142.40112D1083 E1084K1081-D1083 PolarHBondContact O-N 3.47Å; K1081-E1084 IonicContact NZ-OE1 3.39Å; K1081-E1084 PolarHBondContact NZ-OE1 2.52Å
1082D30.2Very low40.3Very low125 Ų125105.8 Ų105.867%0.66855%0.553SS**THydrogen-bonded Turntrans-99.566.3176-82-9.4000110.5D1080D1080-D1082 HydrophobicContact CB-CB 4.21Å; D1080-D1082 PolarHBondContact O-N 3.06Å
1083D33.2Very low39.1Very low130 Ų130105.5 Ų105.570%0.69557%0.568SS**THydrogen-bonded Turntrans-166.433.5151.2-120.7-13.6000113.3K1081 R1085K1081-D1083 PolarHBondContact O-N 3.47Å; D1083-R1085 PolarHBondContact O-N 3.09Å
1084E37.4Very low39Very low110 Ų110113.1 Ų113.151%0.51458%0.583SS.*SBendtrans-73.780163.9-82.2-176.6-161.500109.2K1081 M1086K1081-E1084 IonicContact NZ-OE1 3.39Å; K1081-E1084 PolarHBondContact NZ-OE1 2.52Å; E1084-M1086 PolarHBondContact O-N 2.99Å
1085R43.5Very low39.7Very low210 Ų210114.8 Ų114.879%0.79258%0.582SS**  trans2880166.8-62.7-174.9-170.7175.53.6114.6D1083 F1087D1083-R1085 PolarHBondContact O-N 3.09Å; R1085-F1087 PolarHBondContact O-N 3.28Å
1086M47Very low40.5Very low30 Ų30115.4 Ų115.415%0.14858%0.582CS.*  trans-78.54.5171.1-57.8-160.5-66.100113.4E1084 L1102 I1103 K1111E1084-M1086 PolarHBondContact O-N 2.99Å; M1086-L1102 HydrophobicContact CB-CD1 3.85Å; M1086-L1102 WeakPolarHBondContact O-CA 3.37Å; M1086-I1103 PolarHBondContact O-N 3.4Å; M1086-K1111 HydrophobicContact CE-CD 3.64Å; M1086-K1111 HydrophobicContact CE-CG 4.3Å; M1086-K1111 HydrophobicContact SD-CB 3.24Å; M1086-K1111 WeakPolarHBondContact SD-CB 3.46Å; M1086-K1111 HydrophobicContact SD-CD 3.44Å; M1086-K1111 WeakPolarHBondContact SD-CD 3.47Å; M1086-K1111 HydrophobicContact SD-CG 3.57Å; M1086-K1111 VanDerWaalsContact SD-CG 3.57Å
1087F49.2Very low41.5Very low76 Ų76116.9 Ų116.933%0.33358%0.581SS.*EExtended strand (participates in β ladder)trans-127.1133.8-175.4-50.5-87.4000110.8R1085 R1100 I1101 L1102 L1139R1085-F1087 PolarHBondContact O-N 3.28Å; F1087-R1100 HydrophobicContact CB-CB 4.26Å; F1087-R1100 HydrophobicContact CB-CG 4.5Å; F1087-R1100 HydrophobicContact CD1-CB 4.39Å; F1087-I1101 CarbonylContact C-O 3.51Å; F1087-I1101 WeakPolarHBondContact CA-O 3.47Å; F1087-L1102 HydrophobicContact CD1-CB 3.85Å; F1087-L1102 HydrophobicContact CD1-CD1 3.86Å; F1087-L1102 HydrophobicContact CD1-CG 4.5Å; F1087-L1102 HydrophobicContact CE1-CB 3.79Å; F1087-L1102 HydrophobicContact CE1-CD1 3.32Å; F1087-L1102 HydrophobicContact CE1-CG 4.12Å; F1087-L1102 HydrophobicContact CE2-CD1 4.34Å; F1087-L1102 HydrophobicContact CZ-CD1 3.59Å; F1087-L1139 HydrophobicContact CE1-CD1 4.33Å
1088V52.7Low42.5Very low46 Ų46114.2 Ų114.228%0.27956%0.563SS.*EExtended strand (participates in β ladder)trans-92.7122.4165.3-179.60000107.9V1090 R1100 I1101 I1103V1088-V1090 HydrophobicContact CG1-CG2 3.99Å; V1088-R1100 WeakPolarHBondContact O-CA 3.31Å; V1088-I1101 HydrophobicContact CB-CB 4.48Å; V1088-I1101 PolarHBondContact N-O 3.32Å; V1088-I1101 PolarHBondContact O-N 2.85Å; V1088-I1103 HydrophobicContact CG2-CD1 3.66Å; V1088-I1103 HydrophobicContact CG2-CG1 4.48Å
1089E49.9Very low43.6Very low112 Ų112106.2 Ų106.252%0.52353%0.53SS..EExtended strand (participates in β ladder)trans-85113.8169.8-78.1-177.4166.400108.7T1098 V1099 R1100E1089-T1098 HydrophobicContact CB-CG2 3.95Å; E1089-T1098 HydrophobicContact CG-CG2 4.02Å; E1089-V1099 WeakPolarHBondContact CA-O 3.35Å; E1089-R1100 HydrophobicContact CG-CG 3.79Å; E1089-R1100 IonicContact OE1-CZ 2.94Å; E1089-R1100 VanDerWaalsContact OE1-CZ 3.28Å; E1089-R1100 IonicContact OE1-NE 2.87Å; E1089-R1100 PolarHBondContact OE1-NE 2.84Å; E1089-R1100 IonicContact OE1-NH2 3.75Å; E1089-R1100 PolarHBondContact OE1-NH2 3.02Å
1090V54.9Low44.7Very low16 Ų16108.5 Ų108.510%0.09752%0.521CS..EExtended strand (participates in β ladder)trans-104.8122.6172.8-175.60000108.2V1088 V1099 I1101 I1167 F1171V1088-V1090 HydrophobicContact CG1-CG2 3.99Å; V1090-V1099 PolarHBondContact N-O 3.11Å; V1090-V1099 PolarHBondContact O-N 2.86Å; V1090-I1101 HydrophobicContact CG2-CD1 3.76Å; V1090-I1167 HydrophobicContact CB-CG2 4.37Å; V1090-I1167 HydrophobicContact CG1-CG2 3.47Å; V1090-I1167 VanDerWaalsContact CG1-CG2 3.47Å; V1090-I1167 HydrophobicContact CG2-CD1 4.36Å; V1090-I1167 HydrophobicContact CG2-CG2 3.99Å; V1090-F1171 HydrophobicContact CB-CE2 4.49Å; V1090-F1171 HydrophobicContact CG1-CD2 4.46Å; V1090-F1171 HydrophobicContact CG1-CE2 3.7Å; V1090-F1171 HydrophobicContact CG1-CZ 4.42Å
1091V51.3Low45.8Very low82 Ų82103.1 Ų103.150%0.49749%0.492SS..EExtended strand (participates in β ladder)trans-94.6119.2176.2-178.40000107.9Q1095 T1098V1091-Q1095 HydrophobicContact CG1-CG 4.46Å; V1091-T1098 HydrophobicContact CG2-CG2 4.41Å
1092G52Low46.7Very low9 Ų996.8 Ų96.89%0.09347%0.465CS..  trans-65.3163.9178.200000112.8R1094 Q1095 E1097G1092-R1094 PolarHBondContact O-N 2.9Å; G1092-Q1095 PolarHBondContact O-N 2.96Å; G1092-E1097 PolarHBondContact N-O 3.03Å
1093P42.2Very low47.8Very low122 Ų12291.5 Ų91.579%0.79244%0.437SS*.THydrogen-bonded Turntrans-62.6-9-173.221.2-31.2000115.3
1094R46.1Very low48.5Very low223 Ų22388.2 Ų88.284%0.84242%0.417SS*.THydrogen-bonded Turntrans-100.78.5174-66.9-172.2-178.8-179.81.8114.7G1092 E1096G1092-R1094 PolarHBondContact O-N 2.9Å; R1094-E1096 PolarHBondContact O-N 2.76Å
1095Q48.7Very low48.9Very low170 Ų17083.9 Ų83.979%0.79440%0.4SS*.SBendtrans56.4-3.8-178.8-68.1-171-5.400117.3V1091 G1092V1091-Q1095 HydrophobicContact CG1-CG 4.46Å; G1092-Q1095 PolarHBondContact O-N 2.96Å
1096E45.6Very low49Very low181 Ų18177.7 Ų77.785%0.84639%0.387SS*.SBendtrans-98.3-11.2-176.6-70.8-177.7167.100114.8R1094R1094-E1096 PolarHBondContact O-N 2.76Å
1097E45.6Very low48.9Very low124 Ų12482 Ų8258%0.57941%0.414SS*.  trans-120.3117.4178-65.1-169.4166.700111G1092G1092-E1097 PolarHBondContact N-O 3.03Å
1098T47.6Very low48.7Very low67 Ų6784.9 Ų84.941%0.41143%0.429SS..EExtended strand (participates in β ladder)trans-107.9122.2173.2-47.50000109.1E1089 V1091E1089-T1098 HydrophobicContact CB-CG2 3.95Å; E1089-T1098 HydrophobicContact CG-CG2 4.02Å; V1091-T1098 HydrophobicContact CG2-CG2 4.41Å
1099V51.8Low48.4Very low23 Ų2386 Ų8614%0.13945%0.45CS..EExtended strand (participates in β ladder)trans-109.2133.4177.3-177.60000109.3E1089 V1090 V1138 F1171E1089-V1099 WeakPolarHBondContact CA-O 3.35Å; V1090-V1099 PolarHBondContact N-O 3.11Å; V1090-V1099 PolarHBondContact O-N 2.86Å; V1099-V1138 HydrophobicContact CG1-CG1 3.65Å; V1099-F1171 HydrophobicContact CG2-CZ 4.4Å
1100R48.1Very low48.4Very low130 Ų13087.4 Ų87.449%0.49146%0.456SS..EExtended strand (participates in β ladder)trans-99.2118.8176.2-75.5-180178.1173.11110F1087 V1088 E1089 L1139F1087-R1100 HydrophobicContact CB-CB 4.26Å; F1087-R1100 HydrophobicContact CB-CG 4.5Å; F1087-R1100 HydrophobicContact CD1-CB 4.39Å; V1088-R1100 WeakPolarHBondContact O-CA 3.31Å; E1089-R1100 HydrophobicContact CG-CG 3.79Å; E1089-R1100 IonicContact OE1-CZ 2.94Å; E1089-R1100 VanDerWaalsContact OE1-CZ 3.28Å; E1089-R1100 IonicContact OE1-NE 2.87Å; E1089-R1100 PolarHBondContact OE1-NE 2.84Å; E1089-R1100 IonicContact OE1-NH2 3.75Å; E1089-R1100 PolarHBondContact OE1-NH2 3.02Å; R1100-L1139 PolarHBondContact O-N 2.53Å
1101I53.4Low48.4Very low23 Ų2391.8 Ų91.812%0.11847%0.474CS..EExtended strand (participates in β ladder)trans-103.7116.3-179.9-56.2175.3000109.1F1087 V1088 V1090 F1136 F1137F1087-I1101 CarbonylContact C-O 3.51Å; F1087-I1101 WeakPolarHBondContact CA-O 3.47Å; V1088-I1101 HydrophobicContact CB-CB 4.48Å; V1088-I1101 PolarHBondContact N-O 3.32Å; V1088-I1101 PolarHBondContact O-N 2.85Å; V1090-I1101 HydrophobicContact CG2-CD1 3.76Å; I1101-F1136 HydrophobicContact CG2-CB 4.11Å; I1101-F1136 HydrophobicContact CG2-CD1 3.75Å; I1101-F1136 HydrophobicContact CG2-CG 4.39Å; I1101-F1137 WeakPolarHBondContact CA-O 3.29Å
1102L50.2Low48.4Very low23 Ų2389 Ų8912%0.1246%0.456CS..EExtended strand (participates in β ladder)trans-81.7131.8174.3-179.686000109.9M1086 F1087 F1137M1086-L1102 HydrophobicContact CB-CD1 3.85Å; M1086-L1102 WeakPolarHBondContact O-CA 3.37Å; F1087-L1102 HydrophobicContact CD1-CB 3.85Å; F1087-L1102 HydrophobicContact CD1-CD1 3.86Å; F1087-L1102 HydrophobicContact CD1-CG 4.5Å; F1087-L1102 HydrophobicContact CE1-CB 3.79Å; F1087-L1102 HydrophobicContact CE1-CD1 3.32Å; F1087-L1102 HydrophobicContact CE1-CG 4.12Å; F1087-L1102 HydrophobicContact CE2-CD1 4.34Å; F1087-L1102 HydrophobicContact CZ-CD1 3.59Å; L1102-F1137 HydrophobicContact CB-CB 4.05Å; L1102-F1137 HydrophobicContact CD2-CB 4.44Å; L1102-F1137 PolarHBondContact N-O 3.21Å; L1102-F1137 PolarHBondContact O-N 3.37Å
1103I53.1Low48.6Very low14 Ų1489.3 Ų89.37%0.07246%0.457CS..EExtended strand (participates in β ladder)trans-108.1117.3179.9-54.8-179.4000110M1086 V1088 L1117M1086-I1103 PolarHBondContact O-N 3.4Å; V1088-I1103 HydrophobicContact CG2-CD1 3.66Å; V1088-I1103 HydrophobicContact CG2-CG1 4.48Å; I1103-L1117 HydrophobicContact CD1-CD2 4.13Å; I1103-L1117 HydrophobicContact CG2-CD1 4.43Å; I1103-L1117 HydrophobicContact CG2-CD2 4.46Å
1104E48.8Very low49.1Very low61 Ų6189.5 Ų89.529%0.28545%0.446SS..EExtended strand (participates in β ladder)trans-123.2144.1175.9-110.7176.2-170.500111.8K1111E1104-K1111 HydrophobicContact CG-CG 3.96Å
1105S45.4Very low49.4Very low20 Ų2086.4 Ų86.414%0.1443%0.434CS..  trans-79.3137.7178.5-178.10000111.5T1107S1105-T1107 VanDerWaalsContact C-N 3.28Å; S1105-T1107 PolarHBondContact O-N 2.67Å
1106P44.6Very low49.8Very low80 Ų8082.6 Ų82.652%0.51942%0.417SS..THydrogen-bonded Turntrans-74.5-7.8-177.6-10.324.1000115.6T1133P1106-T1133 WeakPolarHBondContact CG-O 3.25Å
1107T45.3Very low50.3Low119 Ų11975.8 Ų75.873%0.7339%0.386SS*.THydrogen-bonded Turntrans-120.9-10.2-164.734.80000116.7S1105S1105-T1107 VanDerWaalsContact C-N 3.28Å; S1105-T1107 PolarHBondContact O-N 2.67Å
1108E45.6Very low50.8Low138 Ų13875.4 Ų75.465%0.64538%0.379SS*.THydrogen-bonded Turntrans-140.23.2-175.9-70.2-178.2155.900115.3E1110E1108-E1110 PolarHBondContact O-N 2.88Å
1109G47.1Very low51.1Low70 Ų7077 Ų7772%0.72238%0.382SS*.SBendtrans63.51.6-179.200000114.7
1110E49.7Very low51.2Low140 Ų14080.5 Ų80.565%0.65440%0.395SS*.PPolyproline II helixtrans-89.9131.7173.6-69.4-168.9165.700110.7E1108E1108-E1110 PolarHBondContact O-N 2.88Å
1111K55Low51.5Low109 Ų10977.9 Ų77.947%0.47439%0.393SS..BIsolated β-bridgetrans-70.7132.7175.4-70.5142.6155.3-1730110.1M1086 E1104M1086-K1111 HydrophobicContact CE-CD 3.64Å; M1086-K1111 HydrophobicContact CE-CG 4.3Å; M1086-K1111 HydrophobicContact SD-CB 3.24Å; M1086-K1111 WeakPolarHBondContact SD-CB 3.46Å; M1086-K1111 HydrophobicContact SD-CD 3.44Å; M1086-K1111 WeakPolarHBondContact SD-CD 3.47Å; M1086-K1111 HydrophobicContact SD-CG 3.57Å; M1086-K1111 VanDerWaalsContact SD-CG 3.57Å; E1104-K1111 HydrophobicContact CG-CG 3.96Å
1112L51.3Low51.1Low22 Ų2281.5 Ų81.512%0.11541%0.411CS..PPolyproline II helixtrans-96.9133.3-179.4-72.5168000110.9Q1116L1112-Q1116 HydrophobicContact CD2-CB 3.91Å
1113S55.2Low51Low16 Ų1686.1 Ų86.111%0.11244%0.435CS..PPolyproline II helixtrans-73.3155.516781.10000110.9W1115 Q1116 L1117S1113-W1115 PolarHBondContact O-N 2.78Å; S1113-W1115 VanDerWaalsContact O-N 3.13Å; S1113-Q1116 WeakPolarHBondContact O-CB 3.41Å; S1113-Q1116 PolarHBondContact O-N 2.81Å; S1113-Q1116 WeakPolarHBondContact OG-CG 3.45Å; S1113-Q1116 PolarHBondContact OG-N 2.85Å; S1113-L1117 PolarHBondContact O-N 3.26Å
1114F53.3Low50.7Low126 Ų12690 Ų9055%0.55346%0.456SS*.Hα-helixtrans-51.2-38176176.6-95.8000112.7L1117 W1118F1114-L1117 PolarHBondContact O-N 3.26Å; F1114-W1118 WeakPolarHBondContact O-CB 3.34Å; F1114-W1118 PolarHBondContact O-N 3.26Å
1115W51.2Low50.5Low159 Ų15991.7 Ų91.760%0.60247%0.471SS*.Hα-helixtrans-69.3-36.6178.6-109.6101.2000112.9S1113 W1118 Q1119S1113-W1115 PolarHBondContact O-N 2.78Å; S1113-W1115 VanDerWaalsContact O-N 3.13Å; W1115-W1118 AromaticContact CE3-CE3 3.9Å; W1115-W1118 HydrophobicContact CE3-CE3 3.9Å; W1115-W1118 HydrophobicContact CE3-CZ3 4.31Å; W1115-W1118 HydrophobicContact CH2-CE3 4.14Å; W1115-W1118 AromaticContact CH2-CZ3 3.85Å; W1115-W1118 HydrophobicContact CH2-CZ3 3.85Å; W1115-W1118 AromaticContact CZ3-CE3 3.57Å; W1115-W1118 HydrophobicContact CZ3-CE3 3.57Å; W1115-W1118 AromaticContact CZ3-CZ3 3.5Å; W1115-W1118 HydrophobicContact CZ3-CZ3 3.5Å; W1115-W1118 PolarHBondContact O-N 3.22Å; W1115-Q1119 HydrophobicContact CE3-CG 4.25Å; W1115-Q1119 HydrophobicContact CZ3-CG 4.35Å; W1115-Q1119 WeakPolarHBondContact O-CB 3.44Å; W1115-Q1119 PolarHBondContact O-N 3Å
1116Q58.3Low50.3Low90 Ų9098.2 Ų98.242%0.42150%0.503SS..Hα-helixtrans-69.6-37.7175.3-70172-33.700111.7L1112 S1113 K1120L1112-Q1116 HydrophobicContact CD2-CB 3.91Å; S1113-Q1116 WeakPolarHBondContact O-CB 3.41Å; S1113-Q1116 PolarHBondContact O-N 2.81Å; S1113-Q1116 WeakPolarHBondContact OG-CG 3.45Å; S1113-Q1116 PolarHBondContact OG-N 2.85Å; Q1116-K1120 WeakPolarHBondContact O-CB 3.37Å; Q1116-K1120 PolarHBondContact O-N 3.3Å
1117L55.6Low49.7Very low38 Ų38104.9 Ų104.920%0.19952%0.518CS..Hα-helixtrans-63.5-48.1172.3-171.479.4000110.7I1103 S1113 F1114 Q1119 K1120 V1121 L1134I1103-L1117 HydrophobicContact CD1-CD2 4.13Å; I1103-L1117 HydrophobicContact CG2-CD1 4.43Å; I1103-L1117 HydrophobicContact CG2-CD2 4.46Å; S1113-L1117 PolarHBondContact O-N 3.26Å; F1114-L1117 PolarHBondContact O-N 3.26Å; L1117-Q1119 PolarHBondContact O-N 3.15Å; L1117-K1120 PolarHBondContact O-N 3.32Å; L1117-V1121 WeakPolarHBondContact O-CB 3.47Å; L1117-V1121 VanDerWaalsContact O-CG2 3.27Å; L1117-V1121 WeakPolarHBondContact O-CG2 3.47Å; L1117-V1121 PolarHBondContact O-N 3.48Å; L1117-L1134 HydrophobicContact CD1-CD2 4.16Å
1118W56.7Low49.2Very low116 Ų116108.3 Ų108.344%0.43953%0.526SS..Hα-helixtrans-60.3-44.2178.2-175.384.4000112F1114 W1115 V1121 M1122F1114-W1118 WeakPolarHBondContact O-CB 3.34Å; F1114-W1118 PolarHBondContact O-N 3.26Å; W1115-W1118 AromaticContact CE3-CE3 3.9Å; W1115-W1118 HydrophobicContact CE3-CE3 3.9Å; W1115-W1118 HydrophobicContact CE3-CZ3 4.31Å; W1115-W1118 HydrophobicContact CH2-CE3 4.14Å; W1115-W1118 AromaticContact CH2-CZ3 3.85Å; W1115-W1118 HydrophobicContact CH2-CZ3 3.85Å; W1115-W1118 AromaticContact CZ3-CE3 3.57Å; W1115-W1118 HydrophobicContact CZ3-CE3 3.57Å; W1115-W1118 AromaticContact CZ3-CZ3 3.5Å; W1115-W1118 HydrophobicContact CZ3-CZ3 3.5Å; W1115-W1118 PolarHBondContact O-N 3.22Å; W1118-V1121 PolarHBondContact O-N 3Å; W1118-M1122 HydrophobicContact CD2-CG 4.01Å; W1118-M1122 HydrophobicContact CE3-CG 4.44Å; W1118-M1122 HydrophobicContact CG-CG 4.46Å; W1118-M1122 HydrophobicContact CH2-CE 4.37Å; W1118-M1122 HydrophobicContact CH2-CG 4.38Å; W1118-M1122 HydrophobicContact CZ2-CE 3.48Å; W1118-M1122 VanDerWaalsContact CZ2-CE 3.48Å; W1118-M1122 HydrophobicContact CZ2-CG 3.93Å; W1118-M1122 VanDerWaalsContact O-CB 3.26Å; W1118-M1122 WeakPolarHBondContact O-CB 3.26Å; W1118-M1122 VanDerWaalsContact O-CG 3.31Å; W1118-M1122 WeakPolarHBondContact O-CG 3.39Å; W1118-M1122 PolarHBondContact O-N 3.39Å
1119Q53.9Low48.7Very low99 Ų99107.1 Ų107.146%0.46353%0.533SS..Hα-helixtrans-63.4-45.3174.2-93-172.2-25.900112.5W1115 L1117 V1121 M1122 L1123W1115-Q1119 HydrophobicContact CE3-CG 4.25Å; W1115-Q1119 HydrophobicContact CZ3-CG 4.35Å; W1115-Q1119 WeakPolarHBondContact O-CB 3.44Å; W1115-Q1119 PolarHBondContact O-N 3Å; L1117-Q1119 PolarHBondContact O-N 3.15Å; Q1119-V1121 VanDerWaalsContact C-N 3.33Å; Q1119-V1121 PolarHBondContact O-N 2.77Å; Q1119-M1122 PolarHBondContact O-N 2.84Å; Q1119-L1123 HydrophobicContact CB-CD1 4.33Å; Q1119-L1123 WeakPolarHBondContact O-CB 3.49Å; Q1119-L1123 PolarHBondContact O-N 3.14Å
1120K52.9Low48.1Very low98 Ų98110.3 Ų110.343%0.42653%0.532SS..Hα-helixtrans-64-37.1178.5-82.5-175.9173.5-177.40111.9Q1116 L1117 N1124Q1116-K1120 WeakPolarHBondContact O-CB 3.37Å; Q1116-K1120 PolarHBondContact O-N 3.3Å; L1117-K1120 PolarHBondContact O-N 3.32Å; K1120-N1124 WeakPolarHBondContact O-CB 3.29Å; K1120-N1124 VanDerWaalsContact O-CG 3.28Å; K1120-N1124 PolarHBondContact O-N 2.97Å; K1120-N1124 PolarHBondContact O-ND2 3.45Å; K1120-N1124 VanDerWaalsContact O-ND2 3.13Å
1121V53.8Low47.5Very low75 Ų75111.4 Ų111.446%0.45554%0.542SS..Hα-helixtrans-71.2-42.5176.31730000111.8L1117 W1118 Q1119 T1125L1117-V1121 WeakPolarHBondContact O-CB 3.47Å; L1117-V1121 VanDerWaalsContact O-CG2 3.27Å; L1117-V1121 WeakPolarHBondContact O-CG2 3.47Å; L1117-V1121 PolarHBondContact O-N 3.48Å; W1118-V1121 PolarHBondContact O-N 3Å; Q1119-V1121 VanDerWaalsContact C-N 3.33Å; Q1119-V1121 PolarHBondContact O-N 2.77Å; V1121-T1125 PolarHBondContact O-N 3.36Å; V1121-T1125 PolarHBondContact O-OG1 3Å
1122M46.5Very low46.6Very low99 Ų99111 Ų11149%0.48855%0.551SS.*Hα-helixtrans-74.2-35179.8-75.5-67.4-134.600113.6W1118 Q1119 T1125W1118-M1122 HydrophobicContact CD2-CG 4.01Å; W1118-M1122 HydrophobicContact CE3-CG 4.44Å; W1118-M1122 HydrophobicContact CG-CG 4.46Å; W1118-M1122 HydrophobicContact CH2-CE 4.37Å; W1118-M1122 HydrophobicContact CH2-CG 4.38Å; W1118-M1122 HydrophobicContact CZ2-CE 3.48Å; W1118-M1122 VanDerWaalsContact CZ2-CE 3.48Å; W1118-M1122 HydrophobicContact CZ2-CG 3.93Å; W1118-M1122 VanDerWaalsContact O-CB 3.26Å; W1118-M1122 WeakPolarHBondContact O-CB 3.26Å; W1118-M1122 VanDerWaalsContact O-CG 3.31Å; W1118-M1122 WeakPolarHBondContact O-CG 3.39Å; W1118-M1122 PolarHBondContact O-N 3.39Å; Q1119-M1122 PolarHBondContact O-N 2.84Å; M1122-T1125 WeakPolarHBondContact CA-OG1 3.41Å; M1122-T1125 PolarHBondContact O-OG1 2.94Å; M1122-T1125 VanDerWaalsContact O-OG1 3.11Å
1123L47Very low46Very low120 Ų120113 Ų11363%0.62857%0.565SS**Hα-helixtrans-74.3-31.9176.2-82.6154.3000111.9Q1119Q1119-L1123 HydrophobicContact CB-CD1 4.33Å; Q1119-L1123 WeakPolarHBondContact O-CB 3.49Å; Q1119-L1123 PolarHBondContact O-N 3.14Å
1124N47.3Very low45.2Very low94 Ų94115.3 Ų115.350%0.50358%0.576SS.*Hα-helixtrans-84.8-11179.6-73.1-27.2000114.2K1120 L1126 R1127K1120-N1124 WeakPolarHBondContact O-CB 3.29Å; K1120-N1124 VanDerWaalsContact O-CG 3.28Å; K1120-N1124 PolarHBondContact O-N 2.97Å; K1120-N1124 PolarHBondContact O-ND2 3.45Å; K1120-N1124 VanDerWaalsContact O-ND2 3.13Å; N1124-L1126 PolarHBondContact O-N 3.19Å; N1124-R1127 PolarHBondContact O-N 2.97Å
1125T45.7Very low44.6Very low98 Ų98113.8 Ų113.860%0.60157%0.569SS**THydrogen-bonded Turntrans-73.1-5.9173.9130000113.5V1121 M1122V1121-T1125 PolarHBondContact O-N 3.36Å; V1121-T1125 PolarHBondContact O-OG1 3Å; M1122-T1125 WeakPolarHBondContact CA-OG1 3.41Å; M1122-T1125 PolarHBondContact O-OG1 2.94Å; M1122-T1125 VanDerWaalsContact O-OG1 3.11Å
1126L40Very low44.2Very low157 Ų157110.1 Ų110.182%0.82256%0.557SS**THydrogen-bonded Turntrans-98.3-1.2176.2-82.5160.3000114.6N1124N1124-L1126 PolarHBondContact O-N 3.19Å
1127R33.2Very low43.4Very low219 Ų219108 Ų10883%0.82655%0.547SS*.SBendtrans-130.7130.5174.4-74.3-174.7176.9179.5-0.3110.9N1124N1124-R1127 PolarHBondContact O-N 2.97Å
1128Q34.2Very low42.8Very low192 Ų192108.1 Ų108.190%0.89755%0.549SS*.SBendtrans-56.5139.1-176.8-75.9175.3-23.300112.9
1129S34.6Very low41.9Very low112 Ų112106.3 Ų106.378%0.78355%0.548SS*.  trans53.595.5161.664.30000118.4
1130I33.8Very low41.1Very low138 Ų138107.5 Ų107.571%0.70855%0.551SS**  trans-141.5127.2153.8-57.6-179.1000109.1C1132I1130-C1132 PolarHBondContact O-N 2.89Å
1131N37Very low40.3Very low163 Ų163110.2 Ų110.287%0.87257%0.569SS**  trans-69.9120.1169.2-81.7-22.8000109.3
1132C37.1Very low39.5Very low99 Ų99110.4 Ų110.467%0.66957%0.574SS**  trans-114.4113.1168.2-70.70000109.5I1130I1130-C1132 PolarHBondContact O-N 2.89Å
1133T38Very low38.8Very low65 Ų65109.9 Ų109.940%0.39959%0.594SS.*PPolyproline II helixtrans-84.1120168.8-45.40000108.3P1106 F1135P1106-T1133 WeakPolarHBondContact CG-O 3.25Å; T1133-F1135 HydrophobicContact CG2-CE2 4.17Å; T1133-F1135 HydrophobicContact CG2-CZ 4.46Å
1134L40Very low38.2Very low64 Ų64108.7 Ų108.734%0.33560%0.595SS.*PPolyproline II helixtrans-100.3127174.7-84.1152.4000109.2L1117 F1136L1117-L1134 HydrophobicContact CD1-CD2 4.16Å; L1134-F1136 HydrophobicContact CB-CE2 4.11Å; L1134-F1136 HydrophobicContact CB-CZ 4.16Å
1135F38.8Very low37.8Very low95 Ų95108.6 Ų108.642%0.41760%0.598SS.*EExtended strand (participates in β ladder)trans-96.3131170.5-72.8-88.2000109T1133T1133-F1135 HydrophobicContact CG2-CE2 4.17Å; T1133-F1135 HydrophobicContact CG2-CZ 4.46Å
1136F44.5Very low37.5Very low81 Ų81105.5 Ų105.536%0.35559%0.585SS.*EExtended strand (participates in β ladder)trans-110.1129.9176.8-62.9-80000109.6I1101 L1134I1101-F1136 HydrophobicContact CG2-CB 4.11Å; I1101-F1136 HydrophobicContact CG2-CD1 3.75Å; I1101-F1136 HydrophobicContact CG2-CG 4.39Å; L1134-F1136 HydrophobicContact CB-CE2 4.11Å; L1134-F1136 HydrophobicContact CB-CZ 4.16Å
1137F41.8Very low37.5Very low47 Ų47105.4 Ų105.421%0.20658%0.578CS.*EExtended strand (participates in β ladder)trans-101.9116.2171.9-73.8-95.8000109.3I1101 L1102 F1147I1101-F1137 WeakPolarHBondContact CA-O 3.29Å; L1102-F1137 HydrophobicContact CB-CB 4.05Å; L1102-F1137 HydrophobicContact CD2-CB 4.44Å; L1102-F1137 PolarHBondContact N-O 3.21Å; L1102-F1137 PolarHBondContact O-N 3.37Å; F1137-F1147 HydrophobicContact CD1-CD1 4.34Å; F1137-F1147 HydrophobicContact CD1-CE1 4.06Å; F1137-F1147 HydrophobicContact CD1-CZ 4.47Å; F1137-F1147 AromaticContact CE1-CD1 3.7Å; F1137-F1147 HydrophobicContact CE1-CD1 3.7Å; F1137-F1147 AromaticContact CE1-CE1 3.11Å; F1137-F1147 HydrophobicContact CE1-CE1 3.11Å; F1137-F1147 AromaticContact CE1-CZ 3.64Å; F1137-F1147 HydrophobicContact CE1-CZ 3.64Å; F1137-F1147 HydrophobicContact CZ-CD1 4.2Å; F1137-F1147 AromaticContact CZ-CE1 3.63Å; F1137-F1147 HydrophobicContact CZ-CE1 3.63Å; F1137-F1147 HydrophobicContact CZ-CZ 4.46Å
1138V41.1Very low37.9Very low40 Ų40104.8 Ų104.824%0.24258%0.576CS.*EExtended strand (participates in β ladder)trans-93.5113.9176.2177.90000109V1099V1099-V1138 HydrophobicContact CG1-CG1 3.65Å
1139L37.9Very low38Very low77 Ų7799.4 Ų99.440%0.40356%0.56SS.*EExtended strand (participates in β ladder)trans-99.7103.4170-91150.6000108.8F1087 R1100 V1145F1087-L1139 HydrophobicContact CE1-CD1 4.33Å; R1100-L1139 PolarHBondContact O-N 2.53Å; L1139-V1145 HydrophobicContact CD2-CG2 3.95Å
1140K38.2Very low38.1Very low125 Ų12599 Ų9954%0.54355%0.548SS..  trans-84.7137.1172-161.1174.2-173.3174.20109.8S1142K1140-S1142 PolarHBondContact O-N 3.38Å
1141I36.4Very low38Very low154 Ų15499.9 Ų99.979%0.7955%0.549SS*.SBendtrans-7470.2171.8-56.8169.4000108.4
1142S35.4Very low38Very low80 Ų8097.8 Ų97.856%0.55954%0.543SS*.SBendtrans-179.971.6162.761.90000110.1K1140 S1144K1140-S1142 PolarHBondContact O-N 3.38Å; S1142-S1144 PolarHBondContact O-N 2.98Å; S1142-S1144 VanDerWaalsContact O-N 3.09Å
1143G32.5Very low37.6Very low88 Ų88102.5 Ų102.591%0.90755%0.552SS**SBendtrans69.47.4150.500000121.6
1144S34.8Very low37.5Very low95 Ų95104.5 Ų104.566%0.66457%0.569SS**  trans-149.4135.3171.647.50000113.1S1142S1142-S1144 PolarHBondContact O-N 2.98Å; S1142-S1144 VanDerWaalsContact O-N 3.09Å
1145V37.8Very low36.9Very low92 Ų92108.6 Ų108.656%0.55860%0.597SS**EExtended strand (participates in β ladder)trans-100.8130.2178.4-179.70000108.7L1139L1139-V1145 HydrophobicContact CD2-CG2 3.95Å
1146G41.3Very low36.5Very low32 Ų32107.4 Ų107.433%0.3361%0.611SS.*EExtended strand (participates in β ladder)trans-124.4143.3175.500000112
1147F38.9Very low35.9Very low156 Ų156111.5 Ų111.568%0.68464%0.635SS**EExtended strand (participates in β ladder)trans-99.1132.6179.9-74.4-102.4000111F1137F1137-F1147 HydrophobicContact CD1-CD1 4.34Å; F1137-F1147 HydrophobicContact CD1-CE1 4.06Å; F1137-F1147 HydrophobicContact CD1-CZ 4.47Å; F1137-F1147 AromaticContact CE1-CD1 3.7Å; F1137-F1147 HydrophobicContact CE1-CD1 3.7Å; F1137-F1147 AromaticContact CE1-CE1 3.11Å; F1137-F1147 HydrophobicContact CE1-CE1 3.11Å; F1137-F1147 AromaticContact CE1-CZ 3.64Å; F1137-F1147 HydrophobicContact CE1-CZ 3.64Å; F1137-F1147 HydrophobicContact CZ-CD1 4.2Å; F1137-F1147 AromaticContact CZ-CE1 3.63Å; F1137-F1147 HydrophobicContact CZ-CE1 3.63Å; F1137-F1147 HydrophobicContact CZ-CZ 4.46Å
1148W41.3Very low35.3Very low205 Ų205115.3 Ų115.378%0.77766%0.662SS**EExtended strand (participates in β ladder)trans-140.3134.2174.1-61.588.7000111.1
1149S37.3Very low35Very low80 Ų80118.7 Ų118.756%0.55968%0.684SS**EExtended strand (participates in β ladder)trans-107.1132.4173.762.50000110.4
1150L37Very low34.7Very low102 Ų102126.6 Ų126.653%0.53471%0.709SS.*  trans-107.3105.3174.8-124.5134.3000108.9T1152L1150-T1152 HydrophobicContact CD2-CG2 3.78Å
1151E31.8Very low34.6Very low157 Ų157129.6 Ų129.673%0.73472%0.722SS**  trans-93.2112167.3-85.1-168.1160.500109.1
1152T35.6Very low34.8Very low119 Ų119126.6 Ų126.673%0.7371%0.708SS**  trans-106.1106.4168.752.20000109.8L1150L1150-T1152 HydrophobicContact CD2-CG2 3.78Å
1153K28.7Very low35.2Very low199 Ų199127.5 Ų127.587%0.86571%0.71SS**  trans-83.2107.1162.8-76.7179.6178.7172.70107.7
1154S35.9Very low35.6Very low107 Ų107132.1 Ų132.175%0.74870%0.701SS**  trans-122.6113.9162.288.90000110.8
1155T27.9Very low36Very low150 Ų150130.7 Ų130.792%0.9269%0.691SS**  trans-93.5109.6167.247.20000107.5
1156G30.7Very low36.4Very low70 Ų70130.4 Ų130.472%0.72269%0.693SS**SBendtrans145.7140.4171.900000113.5
1157I30.8Very low36.5Very low166 Ų166131.1 Ų131.185%0.85169%0.689SS**  trans-78150.6-166.3-60166.2000111.6
1158V29.7Very low36.5Very low127 Ų127130.3 Ų130.377%0.7769%0.687SS**  trans89.7147.7161.6-161.70000117.4
1159P36.1Very low36.8Very low111 Ų111123.3 Ų123.372%0.72167%0.673SS**  cis-122.4178.8-35.434.1-16.2000113
1160R31.2Very low37.1Very low244 Ų244124.7 Ų124.792%0.92167%0.669SS**  trans15.1105.5165.1-85.2-177.9174.3171.4-1.4116.9D1162R1160-D1162 PolarHBondContact O-N 3.44Å; R1160-D1162 VanDerWaalsContact O-N 3.15Å
1161F36.4Very low37.3Very low187 Ų187123.3 Ų123.382%0.8266%0.659SS**  trans-53.4114.1166.2-89.9-96.6000111.3
1162D40.5Very low38Very low92 Ų92121.4 Ų121.449%0.49266%0.658SS.*  trans-104.3109.8157-174.76.5000108.1R1160 Y1164 S1165R1160-D1162 PolarHBondContact O-N 3.44Å; R1160-D1162 VanDerWaalsContact O-N 3.15Å; D1162-Y1164 PolarHBondContact O-N 2.82Å; D1162-Y1164 WeakPolarHBondContact OD1-CB 3.47Å; D1162-Y1164 PolarHBondContact OD1-N 3Å; D1162-Y1164 VanDerWaalsContact OD1-N 3.14Å; D1162-S1165 PolarHBondContact O-N 3.39Å; D1162-S1165 PolarHBondContact O-OG 3.47Å
1163V42.6Very low38Very low98 Ų98126.7 Ų126.759%0.59467%0.674SS**Hα-helixtrans-64.1-22.8-178.4174.70000111I1167V1163-I1167 HydrophobicContact CG1-CD1 3.98Å; V1163-I1167 WeakPolarHBondContact O-CG1 3.4Å
1164Y41.1Very low38.5Very low185 Ų185123.1 Ų123.173%0.72567%0.665SS**Hα-helixtrans-67.1-39.7178.7-93.8-90.5000113.2D1162 S1166 I1167 E1168D1162-Y1164 PolarHBondContact O-N 2.82Å; D1162-Y1164 WeakPolarHBondContact OD1-CB 3.47Å; D1162-Y1164 PolarHBondContact OD1-N 3Å; D1162-Y1164 VanDerWaalsContact OD1-N 3.14Å; Y1164-S1166 VanDerWaalsContact C-N 3.33Å; Y1164-S1166 PolarHBondContact O-N 3.22Å; Y1164-I1167 PolarHBondContact O-N 3.05Å; Y1164-E1168 PolarHBondContact O-N 3.21Å
1165S44.1Very low38.6Very low66 Ų66123.9 Ų123.946%0.46266%0.66SS.*Hα-helixtrans-69.7-30.3-172.5-21.90000112.9D1162 A1169D1162-S1165 PolarHBondContact O-N 3.39Å; D1162-S1165 PolarHBondContact O-OG 3.47Å; S1165-A1169 PolarHBondContact O-N 3.5Å
1166S44.5Very low39.2Very low86 Ų86122.5 Ų122.560%0.60165%0.646SS**Hα-helixtrans-77.4-28.5177.2-60.50000112.5Y1164 F1170Y1164-S1166 VanDerWaalsContact C-N 3.33Å; Y1164-S1166 PolarHBondContact O-N 3.22Å; S1166-F1170 PolarHBondContact O-N 3Å
1167I44.4Very low39.7Very low46 Ų46125.6 Ų125.624%0.23664%0.641CS.*Hα-helixtrans-76.2-33.6174.7-66.5174.1000110.4V1090 V1163 Y1164 F1170 F1171V1090-I1167 HydrophobicContact CB-CG2 4.37Å; V1090-I1167 HydrophobicContact CG1-CG2 3.47Å; V1090-I1167 VanDerWaalsContact CG1-CG2 3.47Å; V1090-I1167 HydrophobicContact CG2-CD1 4.36Å; V1090-I1167 HydrophobicContact CG2-CG2 3.99Å; V1163-I1167 HydrophobicContact CG1-CD1 3.98Å; V1163-I1167 WeakPolarHBondContact O-CG1 3.4Å; Y1164-I1167 PolarHBondContact O-N 3.05Å; I1167-F1170 WeakPolarHBondContact O-CB 3.42Å; I1167-F1170 PolarHBondContact O-N 3.18Å; I1167-F1171 HydrophobicContact CG2-CD2 4.48Å; I1167-F1171 HydrophobicContact CG2-CE2 4.44Å; I1167-F1171 WeakPolarHBondContact O-CD2 3.17Å; I1167-F1171 PolarHBondContact O-N 3.47Å
1168E39.3Very low40.2Very low140 Ų140123.1 Ų123.165%0.65463%0.628SS**Hα-helixtrans-64.2-42171.9-111-175.816300112.5Y1164 F1170 F1171 T1172Y1164-E1168 PolarHBondContact O-N 3.21Å; E1168-F1170 VanDerWaalsContact C-N 3.25Å; E1168-F1170 PolarHBondContact O-N 3Å; E1168-F1171 PolarHBondContact O-N 2.89Å; E1168-F1171 VanDerWaalsContact O-N 3.08Å; E1168-T1172 PolarHBondContact O-N 3.3Å; E1168-T1172 PolarHBondContact O-OG1 3.46Å
1169A46.4Very low40.9Very low57 Ų57122.8 Ų122.847%0.47162%0.619SS.*Hα-helixtrans-61.4-33.1175.300000112.7S1165 F1171 T1172 H1173S1165-A1169 PolarHBondContact O-N 3.5Å; A1169-F1171 VanDerWaalsContact C-N 3.3Å; A1169-F1171 PolarHBondContact O-N 2.95Å; A1169-T1172 PolarHBondContact O-N 3.45Å; A1169-H1173 PolarHBondContact O-N 3.39Å
1170F44.1Very low41.3Very low110 Ų110123.6 Ų123.648%0.48261%0.611SS.*Hα-helixtrans-66.3-25.6174.5176-93.1000113.8S1166 I1167 E1168S1166-F1170 PolarHBondContact O-N 3Å; I1167-F1170 WeakPolarHBondContact O-CB 3.42Å; I1167-F1170 PolarHBondContact O-N 3.18Å; E1168-F1170 VanDerWaalsContact C-N 3.25Å; E1168-F1170 PolarHBondContact O-N 3Å
1171F41.8Very low42.1Very low73 Ų73114.4 Ų114.432%0.3259%0.588SS.*Hα-helixtrans-94.6-8174.9-82.1-80.9000113.5V1090 V1099 I1167 E1168 A1169V1090-F1171 HydrophobicContact CB-CE2 4.49Å; V1090-F1171 HydrophobicContact CG1-CD2 4.46Å; V1090-F1171 HydrophobicContact CG1-CE2 3.7Å; V1090-F1171 HydrophobicContact CG1-CZ 4.42Å; V1099-F1171 HydrophobicContact CG2-CZ 4.4Å; I1167-F1171 HydrophobicContact CG2-CD2 4.48Å; I1167-F1171 HydrophobicContact CG2-CE2 4.44Å; I1167-F1171 WeakPolarHBondContact O-CD2 3.17Å; I1167-F1171 PolarHBondContact O-N 3.47Å; E1168-F1171 PolarHBondContact O-N 2.89Å; E1168-F1171 VanDerWaalsContact O-N 3.08Å; A1169-F1171 VanDerWaalsContact C-N 3.3Å; A1169-F1171 PolarHBondContact O-N 2.95Å
1172T45.6Very low42.5Very low116 Ų116108.3 Ų108.371%0.71257%0.568SS**Hα-helixtrans-94.1-13.7179.2-38.10000112.3E1168 A1169E1168-T1172 PolarHBondContact O-N 3.3Å; E1168-T1172 PolarHBondContact O-OG1 3.46Å; A1169-T1172 PolarHBondContact O-N 3.45Å
1173H36.1Very low42.7Very low231 Ų231109.8 Ų109.8100%1.06958%0.575SS**  trans-109.70167.7-83.5-35.1000110.4A1169A1169-H1173 PolarHBondContact O-N 3.39Å

Retrieved 1,173 of 1,173 residues in 992.4 ms (Link to these results)

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