A0A087X0D9_HUMAN Loading...

Zinc finger AN1-type containing 2B

AlphaFold DB , UniProt , Accession A0A087X0D9, Species HUMAN (Homo sapiens, Human), Gene ZFAND2B, Length 213 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
1M53.3Low77Confident220 Ų220108.6 Ų108.6100%1.08458%0.58SS**  097.10-171.2168.1-170.400105.7
2E68.9Low78.1Confident191 Ų191102.3 Ų102.389%0.89354%0.544SS*.  trans-90.1115.3-172.1-65.8168.4144.600107.6
3F62.6Low78.8Confident167 Ų167103.3 Ų103.373%0.73256%0.56SS**  trans-74.2128.4166.1-78.1-95.9000107.2
4P71.6Confident79.6Confident96 Ų96102.9 Ų102.962%0.62357%0.568SS**  trans-61.7155.1172.228.2-34.3000109.7L6P4-L6 HydrophobicContact CG-CD2 4.37Å; P4-L6 HydrophobicContact CG-CG 4.49Å; P4-L6 WeakPolarHBondContact O-CG 3.47Å; P4-L6 PolarHBondContact O-N 3.28Å
5D68.8Low80.2Confident160 Ų16097.3 Ų97.386%0.85654%0.539SS*.  trans-70.394.6-176.5-159.411.1000110.2G7D5-G7 PolarHBondContact O-N 2.91Å
6L76.3Confident80.3Confident117 Ų117101.1 Ų101.161%0.61355%0.552SS**  trans-87.792.4-170.4-74.5179.5000111.2P4 F20P4-L6 HydrophobicContact CG-CD2 4.37Å; P4-L6 HydrophobicContact CG-CG 4.49Å; P4-L6 WeakPolarHBondContact O-CG 3.47Å; P4-L6 PolarHBondContact O-N 3.28Å; L6-F20 HydrophobicContact CB-CD1 4.5Å; L6-F20 WeakPolarHBondContact O-CD1 3.3Å; L6-F20 VanDerWaalsContact O-CE1 3.24Å; L6-F20 WeakPolarHBondContact O-CE1 3.45Å
7G82.1Confident80.7Confident31 Ų31103.3 Ų103.332%0.3255%0.55SS..  trans143.8-163.816800000112.4D5 D19D5-G7 PolarHBondContact O-N 2.91Å; G7-D19 WeakPolarHBondContact CA-O 3.2Å
8A88.3Confident81.1Confident24 Ų24102.3 Ų102.320%0.19854%0.544CS..EExtended strand (participates in β ladder)trans-149.1150.1166.500000110.4D19 P22 I31A8-D19 PolarHBondContact N-O 2.76Å; A8-D19 PolarHBondContact O-N 3.38Å; A8-P22 HydrophobicContact CB-CB 3.88Å; A8-P22 HydrophobicContact CB-CG 3.75Å; A8-I31 HydrophobicContact CB-CG2 3.79Å
9H92Very high81.2Confident111 Ų11198.8 Ų98.851%0.51453%0.526SS..EExtended strand (participates in β ladder)trans-74.2146.5169.1-67.2-88.1000110.6Q16 R17H9-Q16 PolarHBondContact ND1-O 2.67Å; H9-R17 WeakPolarHBondContact CA-O 3.48Å
10C92Very high81.4Confident9 Ų9101.5 Ų101.56%0.06153%0.533CS..  trans-61.8140.9164.5-177.30000110.7E12 C15 R17 C33C10-E12 VanDerWaalsContact C-N 3.35Å; C10-C15 VanDerWaalsContact CB-O 3.3Å; C10-C15 WeakPolarHBondContact CB-O 3.38Å; C10-R17 PolarHBondContact N-O 2.86Å; C10-C33 HydrophobicContact CB-CB 4.1Å; C10-C33 PolarHBondContact SG-N 3.33Å; C10-C33 VanDerWaalsContact SG-N 3.42Å
11S90.8Very high81.6Confident69 Ų69102.7 Ų102.748%0.48354%0.539SS..SBendtrans-87.1-5.3-176.1-49.20000113.3I31S11-I31 WeakPolarHBondContact CB-O 3.37Å; S11-I31 PolarHBondContact N-O 3.33Å; S11-I31 PolarHBondContact OG-N 3.01Å; S11-I31 PolarHBondContact OG-O 3.49Å
12E90.1Very high83Confident32 Ų3295 Ų9515%0.1551%0.506CS..SBendtrans-70.6118.8175.4169.246.3-126.500108.9C10 S14 C15 F32 H36C10-E12 VanDerWaalsContact C-N 3.35Å; E12-S14 WeakPolarHBondContact CG-OG 3.24Å; E12-S14 PolarHBondContact O-N 2.9Å; E12-S14 WeakPolarHBondContact OE1-CB 3.09Å; E12-S14 PolarHBondContact OE1-N 2.9Å; E12-S14 VanDerWaalsContact OE1-N 3.16Å; E12-S14 PolarHBondContact OE1-OG 3.18Å; E12-C15 HydrophobicContact CB-CB 4.26Å; E12-C15 HydrophobicContact CG-CB 4.1Å; E12-C15 CarbonylContact O-C 3.47Å; E12-C15 PolarHBondContact O-N 3.35Å; E12-F32 HydrophobicContact CB-CD1 4.26Å; E12-F32 HydrophobicContact CB-CE1 4.33Å; E12-H36 HydrophobicContact CB-CB 4.4Å
13P87.8Confident84.1Confident116 Ų11688.8 Ų88.875%0.75348%0.478SS*.THydrogen-bonded Turntrans-60.6-22.6-172.323-35.6000114.2
14S90.3Very high85.5Confident97 Ų9788.2 Ų88.268%0.67848%0.475SS*.THydrogen-bonded Turntrans-82-10.3173.662.40000114.6E12E12-S14 WeakPolarHBondContact CG-OG 3.24Å; E12-S14 PolarHBondContact O-N 2.9Å; E12-S14 WeakPolarHBondContact OE1-CB 3.09Å; E12-S14 PolarHBondContact OE1-N 2.9Å; E12-S14 VanDerWaalsContact OE1-N 3.16Å; E12-S14 PolarHBondContact OE1-OG 3.18Å
15C87.8Confident86.4Confident19 Ų1983.8 Ų83.813%0.12845%0.446CS..  trans-133.797-173.7-170.70000112.3C10 E12 R17 H36C10-C15 VanDerWaalsContact CB-O 3.3Å; C10-C15 WeakPolarHBondContact CB-O 3.38Å; E12-C15 HydrophobicContact CB-CB 4.26Å; E12-C15 HydrophobicContact CG-CB 4.1Å; E12-C15 CarbonylContact O-C 3.47Å; E12-C15 PolarHBondContact O-N 3.35Å; C15-R17 PolarHBondContact O-N 3.05Å; C15-H36 VanDerWaalsContact CB-CE1 3.45Å; C15-H36 WeakPolarHBondContact CB-CE1 3.33Å; C15-H36 PolarHBondContact SG-CE1 3.23Å
16Q82.9Confident87.4Confident159 Ų15982.2 Ų82.274%0.74344%0.438SS*.  trans-88.422.3176.6-63.7-178.3-12.100113.6H9 L18H9-Q16 PolarHBondContact ND1-O 2.67Å; Q16-L18 PolarHBondContact O-N 2.85Å
17R86.7Confident87.9Confident138 Ų13877.7 Ų77.752%0.52142%0.417SS..  trans-61.9125.9-177-172.6175.5-173.7167.66.2110.4H9 C10 C15 C33 D35H9-R17 WeakPolarHBondContact CA-O 3.48Å; C10-R17 PolarHBondContact N-O 2.86Å; C15-R17 PolarHBondContact O-N 3.05Å; R17-C33 HydrophobicContact CB-CB 4.49Å; R17-D35 IonicContact CZ-OD2 2.74Å; R17-D35 IonicContact NH1-OD1 3.77Å; R17-D35 IonicContact NH1-OD2 2.69Å; R17-D35 PolarHBondContact NH1-OD2 3.16Å
18L87.3Confident88.3Confident85 Ų8578.3 Ų78.345%0.44542%0.416SS..EExtended strand (participates in β ladder)trans-70.3129.3164.4-80.7170000109Q16Q16-L18 PolarHBondContact O-N 2.85Å
19D83.2Confident88.4Confident37 Ų3782 Ų8220%0.19844%0.441CS..EExtended strand (participates in β ladder)trans-121.2132.1170.9-140.9-38.1000109.5G7 A8 L21 C33 A34G7-D19 WeakPolarHBondContact CA-O 3.2Å; A8-D19 PolarHBondContact N-O 2.76Å; A8-D19 PolarHBondContact O-N 3.38Å; D19-L21 VanDerWaalsContact C-N 3.28Å; D19-L21 PolarHBondContact O-N 3.31Å; D19-C33 HydrophobicContact CB-CB 4.23Å; D19-C33 VanDerWaalsContact OD2-CA 3.3Å; D19-C33 WeakPolarHBondContact OD2-CA 3.42Å; D19-C33 VanDerWaalsContact OD2-CB 3.27Å; D19-C33 WeakPolarHBondContact OD2-CB 3.42Å; D19-A34 PolarHBondContact OD2-N 3.42Å
20F84.4Confident88.3Confident152 Ų15277.6 Ų77.667%0.66743%0.425SS*.SBendtrans-78.4-17-175.5-66-77.9000112.2L6L6-F20 HydrophobicContact CB-CD1 4.5Å; L6-F20 WeakPolarHBondContact O-CD1 3.3Å; L6-F20 VanDerWaalsContact O-CE1 3.24Å; L6-F20 WeakPolarHBondContact O-CE1 3.45Å
21L85.6Confident88.4Confident127 Ų12778.9 Ų78.967%0.66543%0.431SS*.SBendtrans-113.896.1169.4-85.368.1000108.5D19 L23D19-L21 VanDerWaalsContact C-N 3.28Å; D19-L21 PolarHBondContact O-N 3.31Å; L21-L23 PolarHBondContact O-N 2.99Å
22P83.8Confident88.5Confident58 Ų5876.2 Ų76.238%0.37741%0.411SS..  trans-64.8104.5-177.4-24.635.9000112.4A8 K24 I31A8-P22 HydrophobicContact CB-CB 3.88Å; A8-P22 HydrophobicContact CB-CG 3.75Å; P22-K24 PolarHBondContact O-N 3.48Å; P22-I31 HydrophobicContact CB-CD1 4.13Å; P22-I31 HydrophobicContact CB-CG2 3.9Å
23L91.5Very high88.6Confident60 Ų6074.7 Ų74.731%0.31440%0.404SS..EExtended strand (participates in β ladder)trans-80.2118180-49.2-179000109.9L21 I31 F32 A34 V37L21-L23 PolarHBondContact O-N 2.99Å; L23-I31 CarbonylContact O-C 3.47Å; L23-I31 WeakPolarHBondContact O-CA 3.46Å; L23-F32 WeakPolarHBondContact CB-O 3.35Å; L23-F32 PolarHBondContact N-O 2.98Å; L23-F32 PolarHBondContact O-N 3.32Å; L23-A34 HydrophobicContact CD1-CB 4.29Å; L23-V37 HydrophobicContact CB-CB 4.25Å; L23-V37 HydrophobicContact CB-CG2 3.77Å; L23-V37 HydrophobicContact CD1-CB 4.08Å; L23-V37 HydrophobicContact CD1-CG1 4.01Å; L23-V37 HydrophobicContact CD1-CG2 4.28Å
24K92.3Very high88.7Confident155 Ų15572.2 Ų72.267%0.67439%0.393SS*.EExtended strand (participates in β ladder)trans-91.6125.6178.5-75.6168.9-178.7176.50110.3P22 D26 G30 I31P22-K24 PolarHBondContact O-N 3.48Å; K24-D26 PolarHBondContact O-N 3.41Å; K24-G30 WeakPolarHBondContact CA-O 3.3Å; K24-I31 HydrophobicContact CD-CD1 4.22Å; K24-I31 HydrophobicContact CG-CD1 3.45Å; K24-I31 VanDerWaalsContact CG-CD1 3.45Å
25C91.4Very high88.8Confident3 Ų371.1 Ų71.12%0.0238%0.38CS..PPolyproline II helixtrans-69.3122.3165.4178.80000109.1A27 C28 S29 G30 F32 H42C25-A27 VanDerWaalsContact C-N 3.29Å; C25-A27 PolarHBondContact O-N 3.3Å; C25-C28 VanDerWaalsContact CB-SG 3.6Å; C25-C28 PolarHBondContact SG-SG 2.69Å; C25-S29 WeakPolarHBondContact O-CA 3.27Å; C25-S29 PolarHBondContact O-N 2.74Å; C25-G30 PolarHBondContact N-O 2.92Å; C25-F32 HydrophobicContact CB-CD2 3.97Å; C25-F32 HydrophobicContact CB-CE2 3.78Å; C25-H42 PolarHBondContact SG-NE2 3.05Å
26D88.6Confident89Confident128 Ų12872.2 Ų72.268%0.68438%0.383SS*.THydrogen-bonded Turntrans-68.7-26.6-179.360.6-46.2000113K24 Y39K24-D26 PolarHBondContact O-N 3.41Å; D26-Y39 PolarHBondContact OD1-OH 3.01Å; D26-Y39 PolarHBondContact OD2-OH 2.86Å
27A88.1Confident89.4Confident21 Ų2167 Ų6717%0.17436%0.361CS..THydrogen-bonded Turntrans-82.9-38.3179.800000114C25 Y39 S46C25-A27 VanDerWaalsContact C-N 3.29Å; C25-A27 PolarHBondContact O-N 3.3Å; A27-Y39 HydrophobicContact CB-CD1 4.31Å; A27-Y39 HydrophobicContact CB-CE1 3.62Å; A27-S46 VanDerWaalsContact C-CB 3.42Å; A27-S46 WeakPolarHBondContact O-CB 3.49Å; A27-S46 PolarHBondContact O-OG 2.91Å
28C89.8Confident89.6Confident44 Ų4462.7 Ų62.730%0.29736%0.356SS..THydrogen-bonded Turntrans-117.91.7-176.772.40000115.5C25 G30C25-C28 VanDerWaalsContact CB-SG 3.6Å; C25-C28 PolarHBondContact SG-SG 2.69Å; C28-G30 PolarHBondContact O-N 3.21Å
29S89.8Confident89.8Confident102 Ų10263 Ų6371%0.71335%0.352SS*.  trans56.41.5-176.669.20000117.6C25C25-S29 WeakPolarHBondContact O-CA 3.27Å; C25-S29 PolarHBondContact O-N 2.74Å
30G90.8Very high90.1Very high18 Ų1865.3 Ų65.319%0.18638%0.376CS..  trans-64.2153.1173.600000113.6K24 C25 C28 F32K24-G30 WeakPolarHBondContact CA-O 3.3Å; C25-G30 PolarHBondContact N-O 2.92Å; C28-G30 PolarHBondContact O-N 3.21Å; G30-F32 WeakPolarHBondContact O-CD2 3.39Å
31I93.1Very high90.4Very high36 Ų3662.2 Ų62.219%0.18536%0.364CS..EExtended strand (participates in β ladder)trans-93.8131.6176.7-55.8-66000109.5A8 S11 P22 L23 K24A8-I31 HydrophobicContact CB-CG2 3.79Å; S11-I31 WeakPolarHBondContact CB-O 3.37Å; S11-I31 PolarHBondContact N-O 3.33Å; S11-I31 PolarHBondContact OG-N 3.01Å; S11-I31 PolarHBondContact OG-O 3.49Å; P22-I31 HydrophobicContact CB-CD1 4.13Å; P22-I31 HydrophobicContact CB-CG2 3.9Å; L23-I31 CarbonylContact O-C 3.47Å; L23-I31 WeakPolarHBondContact O-CA 3.46Å; K24-I31 HydrophobicContact CD-CD1 4.22Å; K24-I31 HydrophobicContact CG-CD1 3.45Å; K24-I31 VanDerWaalsContact CG-CD1 3.45Å
32F92.9Very high90.6Very high13 Ų1357 Ų576%0.05734%0.336CS..EExtended strand (participates in β ladder)trans-135.4157.6177.8-58.4-80.4000111.2E12 L23 C25 G30 H36 V37 H42E12-F32 HydrophobicContact CB-CD1 4.26Å; E12-F32 HydrophobicContact CB-CE1 4.33Å; L23-F32 WeakPolarHBondContact CB-O 3.35Å; L23-F32 PolarHBondContact N-O 2.98Å; L23-F32 PolarHBondContact O-N 3.32Å; C25-F32 HydrophobicContact CB-CD2 3.97Å; C25-F32 HydrophobicContact CB-CE2 3.78Å; G30-F32 WeakPolarHBondContact O-CD2 3.39Å; F32-H36 HydrophobicContact CB-CB 4.29Å; F32-H36 HydrophobicContact CD1-CB 4.29Å; F32-V37 HydrophobicContact CB-CB 4.2Å; F32-H42 HydrophobicContact CD1-CB 3.89Å; F32-H42 AromaticContact CD2-ND1 3.95Å; F32-H42 HydrophobicContact CE1-CB 3.36Å; F32-H42 AromaticContact CE1-CG 3.65Å; F32-H42 HydrophobicContact CE2-CB 4.45Å; F32-H42 AromaticContact CE2-CD2 3.73Å; F32-H42 AromaticContact CE2-CE1 3.82Å; F32-H42 AromaticContact CE2-CG 3.82Å; F32-H42 AromaticContact CE2-ND1 3.88Å; F32-H42 AromaticContact CE2-NE2 3.76Å; F32-H42 HydrophobicContact CZ-CB 3.69Å; F32-H42 AromaticContact CZ-CD2 3.49Å; F32-H42 VanDerWaalsContact CZ-CD2 3.49Å; F32-H42 WeakPolarHBondContact CZ-CD2 3.34Å; F32-H42 AromaticContact CZ-CG 3.48Å; F32-H42 VanDerWaalsContact CZ-CG 3.48Å; F32-H42 AromaticContact CZ-ND1 3.99Å
33C92.4Very high90.8Very high0 Ų062 Ų620%035%0.354CS..  trans-78169.5166.967.70000110.7C10 R17 D19 D35 H36 V37C10-C33 HydrophobicContact CB-CB 4.1Å; C10-C33 PolarHBondContact SG-N 3.33Å; C10-C33 VanDerWaalsContact SG-N 3.42Å; R17-C33 HydrophobicContact CB-CB 4.49Å; D19-C33 HydrophobicContact CB-CB 4.23Å; D19-C33 VanDerWaalsContact OD2-CA 3.3Å; D19-C33 WeakPolarHBondContact OD2-CA 3.42Å; D19-C33 VanDerWaalsContact OD2-CB 3.27Å; D19-C33 WeakPolarHBondContact OD2-CB 3.42Å; C33-D35 PolarHBondContact O-N 3.3Å; C33-H36 PolarHBondContact O-N 2.81Å; C33-H36 PolarHBondContact SG-ND1 2.74Å; C33-V37 PolarHBondContact O-N 2.98Å; C33-V37 VanDerWaalsContact O-N 3.12Å
34A90.3Very high90.7Very high64 Ų6459.8 Ų59.853%0.52934%0.343SS..THydrogen-bonded Turntrans-51.1-31.917700000114.1D19 L23D19-A34 PolarHBondContact OD2-N 3.42Å; L23-A34 HydrophobicContact CD1-CB 4.29Å
35D91.3Very high90.4Very high75 Ų7556.4 Ų56.440%0.40135%0.352SS..THydrogen-bonded Turntrans-80.2-10.8-177.6-40.8-69.8000114.4R17 C33 Q41R17-D35 IonicContact CZ-OD2 2.74Å; R17-D35 IonicContact NH1-OD1 3.77Å; R17-D35 IonicContact NH1-OD2 2.69Å; R17-D35 PolarHBondContact NH1-OD2 3.16Å; C33-D35 PolarHBondContact O-N 3.3Å; D35-Q41 PolarHBondContact O-NE2 3.42Å; D35-Q41 PolarHBondContact O-OE1 2.86Å
36H92Very high90Very high42 Ų4257.9 Ų57.919%0.19436%0.363CS..THydrogen-bonded Turntrans-131.5-2.1-173.9-65.396.9000114.7E12 C15 F32 C33 A38 H42E12-H36 HydrophobicContact CB-CB 4.4Å; C15-H36 VanDerWaalsContact CB-CE1 3.45Å; C15-H36 WeakPolarHBondContact CB-CE1 3.33Å; C15-H36 PolarHBondContact SG-CE1 3.23Å; F32-H36 HydrophobicContact CB-CB 4.29Å; F32-H36 HydrophobicContact CD1-CB 4.29Å; C33-H36 PolarHBondContact O-N 2.81Å; C33-H36 PolarHBondContact SG-ND1 2.74Å; H36-A38 VanDerWaalsContact C-N 3.26Å; H36-A38 PolarHBondContact O-N 2.99Å; H36-H42 PolarHBondContact O-ND1 3.28Å
37V91.8Very high89.5Confident48 Ų4853.5 Ų53.529%0.29134%0.344SS..  trans-65.8-22.4-177.368.70000113.8L23 F32 C33 H42L23-V37 HydrophobicContact CB-CB 4.25Å; L23-V37 HydrophobicContact CB-CG2 3.77Å; L23-V37 HydrophobicContact CD1-CB 4.08Å; L23-V37 HydrophobicContact CD1-CG1 4.01Å; L23-V37 HydrophobicContact CD1-CG2 4.28Å; F32-V37 HydrophobicContact CB-CB 4.2Å; C33-V37 PolarHBondContact O-N 2.98Å; C33-V37 VanDerWaalsContact O-N 3.12Å; V37-H42 PolarHBondContact O-CE1 3.03Å; V37-H42 VanDerWaalsContact O-CE1 3.29Å
38A91.4Very high88.8Confident49 Ų4963.1 Ų63.141%0.40538%0.377SS..SBendtrans-73.9138.6178.600000111.4H36 A40 Q41 H42H36-A38 VanDerWaalsContact C-N 3.26Å; H36-A38 PolarHBondContact O-N 2.99Å; A38-A40 PolarHBondContact O-N 2.95Å; A38-Q41 HydrophobicContact CB-CG 4.46Å; A38-Q41 VanDerWaalsContact CB-OE1 3.24Å; A38-Q41 VanDerWaalsContact N-OE1 3.1Å; A38-Q41 WeakPolarHBondContact O-CB 3.47Å; A38-Q41 PolarHBondContact O-N 2.65Å; A38-H42 PolarHBondContact O-ND1 3.44Å
39Y91.4Very high88Confident90 Ų9068 Ų6835%0.35340%0.396SS..THydrogen-bonded Turntrans-50.3-32.4-174.5-54.9-56.6000115.5D26 A27 H43 C44 A47D26-Y39 PolarHBondContact OD1-OH 3.01Å; D26-Y39 PolarHBondContact OD2-OH 2.86Å; A27-Y39 HydrophobicContact CB-CD1 4.31Å; A27-Y39 HydrophobicContact CB-CE1 3.62Å; Y39-H43 PolarHBondContact O-N 3.01Å; Y39-C44 HydrophobicContact CD1-CB 3.92Å; Y39-C44 HydrophobicContact CG-CB 4.36Å; Y39-C44 PolarHBondContact O-N 3.19Å; Y39-A47 HydrophobicContact CD1-CB 4.36Å; Y39-A47 HydrophobicContact CD2-CB 4.49Å; Y39-A47 HydrophobicContact CG-CB 4.09Å
40A89.4Confident87.3Confident86 Ų8671 Ų7171%0.71140%0.396SS*.THydrogen-bonded Turntrans-75.4-22.8-178.800000113.5A38A38-A40 PolarHBondContact O-N 2.95Å
41Q90.1Very high86.7Confident87 Ų8774.6 Ų74.641%0.40741%0.41SS..THydrogen-bonded Turntrans-81.1-49.6-177.8-66.3162.9-39.400110.3D35 A38 H43D35-Q41 PolarHBondContact O-NE2 3.42Å; D35-Q41 PolarHBondContact O-OE1 2.86Å; A38-Q41 HydrophobicContact CB-CG 4.46Å; A38-Q41 VanDerWaalsContact CB-OE1 3.24Å; A38-Q41 VanDerWaalsContact N-OE1 3.1Å; A38-Q41 WeakPolarHBondContact O-CB 3.47Å; A38-Q41 PolarHBondContact O-N 2.65Å; Q41-H43 VanDerWaalsContact C-N 3.33Å; Q41-H43 PolarHBondContact O-N 2.94Å; Q41-H43 PolarHBondContact O-ND1 2.96Å
42H89.6Confident86.2Confident18 Ų1878.1 Ų78.18%0.08342%0.424CS..THydrogen-bonded Turntrans-92.220.4177.567.7-98.2000114.2C25 F32 H36 V37 A38 C44C25-H42 PolarHBondContact SG-NE2 3.05Å; F32-H42 HydrophobicContact CD1-CB 3.89Å; F32-H42 AromaticContact CD2-ND1 3.95Å; F32-H42 HydrophobicContact CE1-CB 3.36Å; F32-H42 AromaticContact CE1-CG 3.65Å; F32-H42 HydrophobicContact CE2-CB 4.45Å; F32-H42 AromaticContact CE2-CD2 3.73Å; F32-H42 AromaticContact CE2-CE1 3.82Å; F32-H42 AromaticContact CE2-CG 3.82Å; F32-H42 AromaticContact CE2-ND1 3.88Å; F32-H42 AromaticContact CE2-NE2 3.76Å; F32-H42 HydrophobicContact CZ-CB 3.69Å; F32-H42 AromaticContact CZ-CD2 3.49Å; F32-H42 VanDerWaalsContact CZ-CD2 3.49Å; F32-H42 WeakPolarHBondContact CZ-CD2 3.34Å; F32-H42 AromaticContact CZ-CG 3.48Å; F32-H42 VanDerWaalsContact CZ-CG 3.48Å; F32-H42 AromaticContact CZ-ND1 3.99Å; H36-H42 PolarHBondContact O-ND1 3.28Å; V37-H42 PolarHBondContact O-CE1 3.03Å; V37-H42 VanDerWaalsContact O-CE1 3.29Å; A38-H42 PolarHBondContact O-ND1 3.44Å; H42-C44 VanDerWaalsContact NE2-CB 3.34Å; H42-C44 WeakPolarHBondContact NE2-CB 3.47Å; H42-C44 PolarHBondContact O-N 3.43Å
43H88.7Confident85.9Confident164 Ų16481.2 Ų81.276%0.75944%0.444SS*.THydrogen-bonded Turntrans47.750.2175-66.974.6000114.3Y39 Q41 G45Y39-H43 PolarHBondContact O-N 3.01Å; Q41-H43 VanDerWaalsContact C-N 3.33Å; Q41-H43 PolarHBondContact O-N 2.94Å; Q41-H43 PolarHBondContact O-ND1 2.96Å; H43-G45 PolarHBondContact O-N 3.24Å
44C89.6Confident85.9Confident13 Ų1382.7 Ų82.79%0.08845%0.452CS..  trans-63.8102.3-167-166.30000113.8Y39 H42 S46 A47Y39-C44 HydrophobicContact CD1-CB 3.92Å; Y39-C44 HydrophobicContact CG-CB 4.36Å; Y39-C44 PolarHBondContact O-N 3.19Å; H42-C44 VanDerWaalsContact NE2-CB 3.34Å; H42-C44 WeakPolarHBondContact NE2-CB 3.47Å; H42-C44 PolarHBondContact O-N 3.43Å; C44-S46 PolarHBondContact O-N 3.46Å; C44-A47 HydrophobicContact CB-CB 4.2Å; C44-A47 WeakPolarHBondContact O-CB 3.14Å; C44-A47 PolarHBondContact O-N 2.83Å
45G85.7Confident86.1Confident83 Ų8385.3 Ų85.386%0.85645%0.452SS*.THydrogen-bonded Turntrans-59.5-17.6177.500000115H43H43-G45 PolarHBondContact O-N 3.24Å
46S83Confident86.3Confident35 Ų3581.8 Ų81.825%0.24543%0.433CS..THydrogen-bonded Turntrans-93-4.9177.2-61.50000114.8A27 C44 Y48 Q49A27-S46 VanDerWaalsContact C-CB 3.42Å; A27-S46 WeakPolarHBondContact O-CB 3.49Å; A27-S46 PolarHBondContact O-OG 2.91Å; C44-S46 PolarHBondContact O-N 3.46Å; S46-Y48 PolarHBondContact O-N 2.92Å; S46-Q49 WeakPolarHBondContact O-CB 3.34Å; S46-Q49 PolarHBondContact O-N 3.21Å
47A78.4Confident86.4Confident35 Ų3584.3 Ų84.329%0.28945%0.445SS..THydrogen-bonded Turntrans-56.4-22.3-169.100000115.4Y39 C44Y39-A47 HydrophobicContact CD1-CB 4.36Å; Y39-A47 HydrophobicContact CD2-CB 4.49Å; Y39-A47 HydrophobicContact CG-CB 4.09Å; C44-A47 HydrophobicContact CB-CB 4.2Å; C44-A47 WeakPolarHBondContact O-CB 3.14Å; C44-A47 PolarHBondContact O-N 2.83Å
48Y73.2Confident86.5Confident224 Ų22484.1 Ų84.188%0.87844%0.439SS*.THydrogen-bonded Turntrans-104.217.8179.9-60.9-74.4000113.9S46S46-Y48 PolarHBondContact O-N 2.92Å
49Q73.9Confident86.5Confident147 Ų14785.9 Ų85.969%0.68745%0.453SS*.  trans-65.7142.7176.1-153.6175.277.100110.8S46 I51S46-Q49 WeakPolarHBondContact O-CB 3.34Å; S46-Q49 PolarHBondContact O-N 3.21Å; Q49-I51 PolarHBondContact O-N 2.89Å
50K74.9Confident86.6Confident163 Ų16385.6 Ų85.671%0.70948%0.478SS*.  trans-78.284.7-167.5-69.2172.9-178.7168.50111.9F52 T53K50-F52 PolarHBondContact O-N 3.29Å; K50-F52 VanDerWaalsContact O-N 3.13Å; K50-T53 VanDerWaalsContact O-CG2 3.24Å; K50-T53 WeakPolarHBondContact O-CG2 3.46Å
51I77.9Confident86.9Confident95 Ų9582.3 Ų82.349%0.48745%0.45SS..SBendtrans-46.1-44.5180-57176.3000112.7Q49 T53 M66Q49-I51 PolarHBondContact O-N 2.89Å; I51-T53 PolarHBondContact O-N 2.97Å; I51-T53 VanDerWaalsContact O-N 3.16Å; I51-M66 HydrophobicContact CG2-CB 4.2Å; I51-M66 HydrophobicContact CG2-CE 3.93Å; I51-M66 HydrophobicContact CG2-CG 3.62Å; I51-M66 HydrophobicContact CG2-SD 3.63Å
52F81.6Confident87Confident109 Ų10989.4 Ų89.448%0.47847%0.473SS..  trans-87.576.9178.9-62.6-85000111.8K50 R64 M66K50-F52 PolarHBondContact O-N 3.29Å; K50-F52 VanDerWaalsContact O-N 3.13Å; F52-R64 HydrophobicContact CB-CB 3.98Å; F52-R64 PolarHBondContact O-NE 3.31Å; F52-R64 VanDerWaalsContact O-NE 3.11Å; F52-R64 PolarHBondContact O-NH1 2.9Å; F52-R64 PolarHBondContact O-NH2 2.96Å; F52-M66 HydrophobicContact CD1-CB 4.46Å; F52-M66 HydrophobicContact CE1-CB 4.34Å
53T87.9Confident87.2Confident78 Ų7893 Ų9348%0.47949%0.489SS..  trans-82.1-47.5176.848.70000113.3K50 I51 K55 R64K50-T53 VanDerWaalsContact O-CG2 3.24Å; K50-T53 WeakPolarHBondContact O-CG2 3.46Å; I51-T53 PolarHBondContact O-N 2.97Å; I51-T53 VanDerWaalsContact O-N 3.16Å; T53-K55 PolarHBondContact O-N 3.05Å; T53-R64 PolarHBondContact O-NE 2.87Å; T53-R64 PolarHBondContact O-NH2 3.28Å
54N92.3Very high87.5Confident32 Ų3290.3 Ų90.317%0.17147%0.473CS..EExtended strand (participates in β ladder)trans-69.6109.7-164.4-53.9-78.1000111.3R64 E65 M66 K68N54-R64 CarbonylContact O-C 3.58Å; N54-R64 WeakPolarHBondContact O-CA 3.47Å; N54-E65 HydrophobicContact CB-CB 4.34Å; N54-E65 WeakPolarHBondContact CB-O 3.49Å; N54-E65 PolarHBondContact N-O 2.99Å; N54-E65 PolarHBondContact ND2-O 2.97Å; N54-E65 PolarHBondContact O-N 3.03Å; N54-M66 PolarHBondContact ND2-O 3.43Å; N54-K68 PolarHBondContact ND2-N 2.92Å; N54-K68 VanDerWaalsContact OD1-CB 3.28Å; N54-K68 WeakPolarHBondContact OD1-CB 3.48Å
55K94.4Very high87.6Confident118 Ų11890.9 Ų90.951%0.51347%0.474SS..EExtended strand (participates in β ladder)trans-92.4123.6-177.5-179.7-158.6161.6-69.60110.1T53 E57 N77T53-K55 PolarHBondContact O-N 3.05Å; K55-E57 PolarHBondContact O-N 3.22Å; K55-N77 PolarHBondContact N-OD1 3.06Å; K55-N77 PolarHBondContact O-OD1 2.93Å
56C95.4Very high87.7Confident1 Ų193 Ų931%0.00746%0.463CS..  trans-54.4131.9171.9-1720000112.3C61 Q63 C79C56-C61 HydrophobicContact CB-CB 4.13Å; C56-Q63 WeakPolarHBondContact CB-O 3.35Å; C56-Q63 PolarHBondContact N-O 3.2Å; C56-Q63 VanDerWaalsContact N-O 3.14Å; C56-C79 HydrophobicContact CB-CB 4.11Å; C56-C79 PolarHBondContact SG-N 3.11Å
57E93.9Very high88Confident95 Ų9597.7 Ų97.744%0.44448%0.483SS..  trans-89.8-16.6-175.3-69.4-180-130.800114.1K55 A59 R76 N77 F78K55-E57 PolarHBondContact O-N 3.22Å; E57-A59 PolarHBondContact O-N 2.92Å; E57-R76 HydrophobicContact CB-CB 4.38Å; E57-R76 WeakPolarHBondContact OE2-CB 3.48Å; E57-R76 WeakPolarHBondContact OE2-CD 3.46Å; E57-R76 WeakPolarHBondContact OE2-CG 3.4Å; E57-N77 WeakPolarHBondContact CB-O 3.45Å; E57-N77 WeakPolarHBondContact CG-O 3.38Å; E57-N77 PolarHBondContact N-O 3.44Å; E57-N77 PolarHBondContact OE1-N 3.44Å; E57-F78 HydrophobicContact CB-CE1 4.23Å
58R93.6Very high88.6Confident44 Ų44101.9 Ų101.917%0.16650%0.495CS..SBendtrans-59.5137.2175.6174166.853.5131.715.4111.3C61 F78 H82 D87 H88R58-C61 HydrophobicContact CB-CB 4.48Å; R58-C61 WeakPolarHBondContact O-CB 3.28Å; R58-C61 PolarHBondContact O-N 3.29Å; R58-C61 VanDerWaalsContact O-N 3.14Å; R58-F78 HydrophobicContact CB-CD1 3.94Å; R58-F78 HydrophobicContact CB-CE1 3.93Å; R58-H82 VanDerWaalsContact CZ-CB 3.44Å; R58-H82 PolarHBondContact NE-CD2 3.34Å; R58-H82 VanDerWaalsContact NE-CD2 3.31Å; R58-H82 PolarHBondContact NE-CE1 3.26Å; R58-H82 PolarHBondContact NE-ND1 3.04Å; R58-H82 PolarHBondContact NH1-CD2 3.47Å; R58-H82 PolarHBondContact NH1-CE1 3.46Å; R58-H82 VanDerWaalsContact NH1-CG 3.33Å; R58-H82 PolarHBondContact NH1-NE2 3.29Å; R58-H82 PolarHBondContact NH2-CD2 3.26Å; R58-H82 PolarHBondContact NH2-CE1 3.47Å; R58-H82 PolarHBondContact NH2-ND1 2.93Å; R58-H82 PolarHBondContact NH2-NE2 3.02Å; R58-D87 WeakPolarHBondContact CD-O 3.46Å; R58-D87 VanDerWaalsContact CZ-O 3.23Å; R58-D87 PolarHBondContact NE-O 3.31Å; R58-D87 PolarHBondContact NH1-O 3.22Å; R58-H88 HydrophobicContact CB-CB 4.26Å; R58-H88 HydrophobicContact CG-CB 4.46Å
59A92.1Very high89.6Confident86 Ų8693.2 Ų93.271%0.71146%0.463SS*.THydrogen-bonded Turntrans-52143.5177.500000112.3E57 C61E57-A59 PolarHBondContact O-N 2.92Å; A59-C61 PolarHBondContact O-N 3.27Å
60G93.4Very high90.6Very high85 Ų8589.6 Ų89.688%0.87645%0.451SS*.THydrogen-bonded Turntrans70.3-17-176.500000115.9R62G60-R62 PolarHBondContact O-N 2.84Å
61C94.6Very high91.5Very high17 Ų1782.2 Ų82.212%0.11542%0.42CS..  trans-79.8124.8-177.4-162.40000112.4C56 R58 A59 H82C56-C61 HydrophobicContact CB-CB 4.13Å; R58-C61 HydrophobicContact CB-CB 4.48Å; R58-C61 WeakPolarHBondContact O-CB 3.28Å; R58-C61 PolarHBondContact O-N 3.29Å; R58-C61 VanDerWaalsContact O-N 3.14Å; A59-C61 PolarHBondContact O-N 3.27Å; C61-H82 PolarHBondContact SG-ND1 3.31Å
62R93.6Very high92.1Very high236 Ų23687 Ų8789%0.89144%0.44SS*.  trans-104.21.7173.9-62.8-174.5178.5-169.7-0.6113.8G60G60-R62 PolarHBondContact O-N 2.84Å
63Q93.3Very high92.5Very high92 Ų9288.5 Ų88.543%0.4344%0.443SS..  trans-63.7136.5-178.8-171.262.344.600110.8C56 C79C56-Q63 WeakPolarHBondContact CB-O 3.35Å; C56-Q63 PolarHBondContact N-O 3.2Å; C56-Q63 VanDerWaalsContact N-O 3.14Å; Q63-C79 HydrophobicContact CB-CB 3.74Å; Q63-C79 HydrophobicContact CG-CB 3.41Å; Q63-C79 VanDerWaalsContact CG-CB 3.41Å
64R94.4Very high92.7Very high108 Ų10885.5 Ų85.541%0.40843%0.425SS..EExtended strand (participates in β ladder)trans-116.5147.7169.3-55-175.777.6-166.15.4109.3F52 T53 N54F52-R64 HydrophobicContact CB-CB 3.98Å; F52-R64 PolarHBondContact O-NE 3.31Å; F52-R64 VanDerWaalsContact O-NE 3.11Å; F52-R64 PolarHBondContact O-NH1 2.9Å; F52-R64 PolarHBondContact O-NH2 2.96Å; T53-R64 PolarHBondContact O-NE 2.87Å; T53-R64 PolarHBondContact O-NH2 3.28Å; N54-R64 CarbonylContact O-C 3.58Å; N54-R64 WeakPolarHBondContact O-CA 3.47Å
65E92.4Very high92.7Very high26 Ų2688.5 Ų88.512%0.12145%0.448CS..EExtended strand (participates in β ladder)trans-127.5146.8-170.4-152.866.6-95.700110.5N54 C79 I80N54-E65 HydrophobicContact CB-CB 4.34Å; N54-E65 WeakPolarHBondContact CB-O 3.49Å; N54-E65 PolarHBondContact N-O 2.99Å; N54-E65 PolarHBondContact ND2-O 2.97Å; N54-E65 PolarHBondContact O-N 3.03Å; E65-C79 WeakPolarHBondContact OE2-CA 3.41Å; E65-C79 WeakPolarHBondContact OE2-CB 3.42Å; E65-I80 HydrophobicContact CG-CG1 4.33Å; E65-I80 WeakPolarHBondContact OE2-CG1 3.4Å; E65-I80 PolarHBondContact OE2-N 3.12Å
66M88.1Confident92.7Very high127 Ų12787.6 Ų87.663%0.62644%0.442SS*.SBendtrans-70.3-36.8176.7-177.4174.7-179.200111.6I51 F52 N54I51-M66 HydrophobicContact CG2-CB 4.2Å; I51-M66 HydrophobicContact CG2-CE 3.93Å; I51-M66 HydrophobicContact CG2-CG 3.62Å; I51-M66 HydrophobicContact CG2-SD 3.63Å; F52-M66 HydrophobicContact CD1-CB 4.46Å; F52-M66 HydrophobicContact CE1-CB 4.34Å; N54-M66 PolarHBondContact ND2-O 3.43Å
67M88Confident92.7Very high133 Ų13387.8 Ų87.866%0.65544%0.442SS*.SBendtrans-103.4144.4176.5-178.7175.6-7700111.5L69M67-L69 HydrophobicContact CG-CD2 4.22Å; M67-L69 PolarHBondContact O-N 3.26Å; M67-L69 VanDerWaalsContact O-N 3.16Å; M67-L69 HydrophobicContact SD-CD2 4.11Å
68K92Very high92.8Very high124 Ų12483.5 Ų83.554%0.53942%0.422SS..  trans-78.494.5172-162.1-167.6-179.3-167.40110.8N54 T70 N77N54-K68 PolarHBondContact ND2-N 2.92Å; N54-K68 VanDerWaalsContact OD1-CB 3.28Å; N54-K68 WeakPolarHBondContact OD1-CB 3.48Å; K68-T70 HydrophobicContact CD-CG2 3.82Å; K68-T70 VanDerWaalsContact CE-CG2 3.46Å; K68-T70 HydrophobicContact CG-CG2 4.08Å; K68-T70 PolarHBondContact O-N 2.9Å; K68-N77 HydrophobicContact CG-CB 4.17Å
69L94.6Very high92.9Very high41 Ų4181.4 Ų81.422%0.21542%0.415CS..EExtended strand (participates in β ladder)trans-80.8102168.8-52.4177.8000109.3M67 N77 F78 I80 R83M67-L69 HydrophobicContact CG-CD2 4.22Å; M67-L69 PolarHBondContact O-N 3.26Å; M67-L69 VanDerWaalsContact O-N 3.16Å; M67-L69 HydrophobicContact SD-CD2 4.11Å; L69-N77 PolarHBondContact N-ND2 2.91Å; L69-N77 WeakPolarHBondContact O-CA 3.47Å; L69-N77 PolarHBondContact O-ND2 3.33Å; L69-F78 PolarHBondContact O-N 2.94Å; L69-I80 HydrophobicContact CD1-CB 4.28Å; L69-I80 HydrophobicContact CD1-CG1 3.67Å; L69-R83 HydrophobicContact CD1-CB 4.35Å
70T95.2Very high93Very high72 Ų7281.9 Ų81.944%0.44240%0.404SS..EExtended strand (participates in β ladder)trans-91.7136.2173.743.90000111.1K68 E72 S75 R76K68-T70 HydrophobicContact CD-CG2 3.82Å; K68-T70 VanDerWaalsContact CE-CG2 3.46Å; K68-T70 HydrophobicContact CG-CG2 4.08Å; K68-T70 PolarHBondContact O-N 2.9Å; T70-E72 PolarHBondContact O-N 3.44Å; T70-S75 WeakPolarHBondContact CG2-O 3.48Å; T70-R76 WeakPolarHBondContact CA-O 3.47Å
71C93.4Very high93.1Very high7 Ų785.6 Ų85.65%0.04740%0.396CS..  trans-71.9127.7170.3-1800000110.6R73 C74 S75 R76 F78 C90C71-R73 PolarHBondContact O-N 2.97Å; C71-C74 PolarHBondContact O-N 3.41Å; C71-S75 WeakPolarHBondContact O-CA 3.25Å; C71-S75 PolarHBondContact O-N 3.41Å; C71-R76 PolarHBondContact N-O 3.31Å; C71-F78 HydrophobicContact CB-CD2 4.05Å; C71-F78 HydrophobicContact CB-CE2 3.82Å; C71-C90 VanDerWaalsContact SG-SG 3.62Å
72E90.6Very high93.1Very high196 Ų19687.4 Ų87.492%0.91640%0.403SS*.THydrogen-bonded Turntrans-58.2-31.5179.7-64.3167.8-179.200113.7T70T70-E72 PolarHBondContact O-N 3.44Å
73R90.3Very high93.1Very high141 Ų14184 Ų8453%0.53239%0.39SS..THydrogen-bonded Turntrans-85.7-38.2-176.5-57.9-170.9-169.9-175.19.8113.8C71 G92 G94C71-R73 PolarHBondContact O-N 2.97Å; R73-G92 WeakPolarHBondContact O-CA 3.47Å; R73-G94 PolarHBondContact NH1-O 2.93Å
74C91.9Very high93.1Very high15 Ų1584.5 Ų84.510%0.10139%0.392CS..THydrogen-bonded Turntrans-1182.3-17276.60000114.6C71 R76C71-C74 PolarHBondContact O-N 3.41Å; C74-R76 PolarHBondContact O-N 2.96Å
75S92.4Very high92.9Very high94 Ų9480.9 Ų80.966%0.65738%0.383SS*.  trans55.8-9.1-18073.90000118.4T70 C71T70-S75 WeakPolarHBondContact CG2-O 3.48Å; C71-S75 WeakPolarHBondContact O-CA 3.25Å; C71-S75 PolarHBondContact O-N 3.41Å
76R93.5Very high92.8Very high99 Ų9986.8 Ų86.837%0.37441%0.414SS..  trans-63.9151.2174.4-63.7-171.6-170.2133.37.4113.1E57 T70 C71 C74 F78 S91E57-R76 HydrophobicContact CB-CB 4.38Å; E57-R76 WeakPolarHBondContact OE2-CB 3.48Å; E57-R76 WeakPolarHBondContact OE2-CD 3.46Å; E57-R76 WeakPolarHBondContact OE2-CG 3.4Å; T70-R76 WeakPolarHBondContact CA-O 3.47Å; C71-R76 PolarHBondContact N-O 3.31Å; C74-R76 PolarHBondContact O-N 2.96Å; R76-F78 HydrophobicContact CB-CE2 3.69Å; R76-F78 HydrophobicContact CB-CZ 3.66Å; R76-F78 WeakPolarHBondContact O-CD2 2.91Å; R76-F78 WeakPolarHBondContact O-CE2 3.34Å; R76-S91 PolarHBondContact NH1-OG 2.72Å; R76-S91 PolarHBondContact NH2-OG 3.03Å
77N95.7Very high92.9Very high5 Ų583.9 Ų83.93%0.02740%0.401CS..EExtended strand (participates in β ladder)trans-86.9135.2176.4173.4-125.3000112.9K55 E57 K68 L69K55-N77 PolarHBondContact N-OD1 3.06Å; K55-N77 PolarHBondContact O-OD1 2.93Å; E57-N77 WeakPolarHBondContact CB-O 3.45Å; E57-N77 WeakPolarHBondContact CG-O 3.38Å; E57-N77 PolarHBondContact N-O 3.44Å; E57-N77 PolarHBondContact OE1-N 3.44Å; K68-N77 HydrophobicContact CG-CB 4.17Å; L69-N77 PolarHBondContact N-ND2 2.91Å; L69-N77 WeakPolarHBondContact O-CA 3.47Å; L69-N77 PolarHBondContact O-ND2 3.33Å
78F95.9Very high93.1Very high5 Ų578.2 Ų78.22%0.02237%0.373CS..EExtended strand (participates in β ladder)trans-128.7166.7172.2-56.2-77.7000110.9E57 R58 L69 C71 R76 H82 H88E57-F78 HydrophobicContact CB-CE1 4.23Å; R58-F78 HydrophobicContact CB-CD1 3.94Å; R58-F78 HydrophobicContact CB-CE1 3.93Å; L69-F78 PolarHBondContact O-N 2.94Å; C71-F78 HydrophobicContact CB-CD2 4.05Å; C71-F78 HydrophobicContact CB-CE2 3.82Å; R76-F78 HydrophobicContact CB-CE2 3.69Å; R76-F78 HydrophobicContact CB-CZ 3.66Å; R76-F78 WeakPolarHBondContact O-CD2 2.91Å; R76-F78 WeakPolarHBondContact O-CE2 3.34Å; F78-H82 HydrophobicContact CB-CB 4.11Å; F78-H82 WeakPolarHBondContact CB-O 3.34Å; F78-H88 HydrophobicContact CD1-CB 3.92Å; F78-H88 AromaticContact CD1-CG 3.98Å; F78-H88 AromaticContact CD2-CE1 3.65Å; F78-H88 AromaticContact CD2-ND1 3.66Å; F78-H88 HydrophobicContact CE1-CB 3.61Å; F78-H88 AromaticContact CE1-CD2 3.89Å; F78-H88 AromaticContact CE1-CG 3.64Å; F78-H88 AromaticContact CE2-CD2 3.49Å; F78-H88 VanDerWaalsContact CE2-CD2 3.49Å; F78-H88 WeakPolarHBondContact CE2-CD2 3.35Å; F78-H88 AromaticContact CE2-CE1 3.5Å; F78-H88 VanDerWaalsContact CE2-CE1 3.5Å; F78-H88 WeakPolarHBondContact CE2-CE1 3.33Å; F78-H88 AromaticContact CE2-CG 3.71Å; F78-H88 AromaticContact CE2-ND1 3.7Å; F78-H88 AromaticContact CE2-NE2 3.37Å; F78-H88 WeakPolarHBondContact CE2-NE2 3.44Å; F78-H88 AromaticContact CG-ND1 3.9Å; F78-H88 HydrophobicContact CZ-CB 3.97Å; F78-H88 AromaticContact CZ-CD2 3.29Å; F78-H88 WeakPolarHBondContact CZ-CD2 3.3Å; F78-H88 AromaticContact CZ-CG 3.49Å; F78-H88 VanDerWaalsContact CZ-CG 3.49Å; F78-H88 AromaticContact CZ-ND1 3.97Å; F78-H88 AromaticContact CZ-NE2 3.7Å
79C95.6Very high93Very high1 Ų177.8 Ų77.81%0.00738%0.377CS..  trans-83.2170.2170.259.30000111.1C56 Q63 E65 K81 H82 R83C56-C79 HydrophobicContact CB-CB 4.11Å; C56-C79 PolarHBondContact SG-N 3.11Å; Q63-C79 HydrophobicContact CB-CB 3.74Å; Q63-C79 HydrophobicContact CG-CB 3.41Å; Q63-C79 VanDerWaalsContact CG-CB 3.41Å; E65-C79 WeakPolarHBondContact OE2-CA 3.41Å; E65-C79 WeakPolarHBondContact OE2-CB 3.42Å; C79-K81 PolarHBondContact O-N 3.21Å; C79-K81 VanDerWaalsContact O-N 3.09Å; C79-H82 CarbonylContact O-C 3.54Å; C79-H82 PolarHBondContact O-N 3.39Å; C79-R83 PolarHBondContact O-N 3.47Å
80I93.8Very high92.8Very high95 Ų9577.5 Ų77.549%0.48738%0.378SS..G310 helixtrans-50-41.8-179.4-68.2161.4000111.9E65 L69 H82E65-I80 HydrophobicContact CG-CG1 4.33Å; E65-I80 WeakPolarHBondContact OE2-CG1 3.4Å; E65-I80 PolarHBondContact OE2-N 3.12Å; L69-I80 HydrophobicContact CD1-CB 4.28Å; L69-I80 HydrophobicContact CD1-CG1 3.67Å; I80-H82 VanDerWaalsContact C-N 3.25Å; I80-H82 PolarHBondContact O-N 2.77Å
81K94.9Very high92.2Very high163 Ų16377.8 Ų77.871%0.70938%0.383SS*.G310 helixtrans-67-16.1179.4-67.4-170.9177.7-174.40115C79C79-K81 PolarHBondContact O-N 3.21Å; C79-K81 VanDerWaalsContact O-N 3.09Å
82H95.2Very high91.4Very high56 Ų5678 Ų7826%0.25939%0.387SS..G310 helixtrans-128.519-176.7-64150.6000113.6R58 C61 F78 C79 I80 H84 D87 H88R58-H82 VanDerWaalsContact CZ-CB 3.44Å; R58-H82 PolarHBondContact NE-CD2 3.34Å; R58-H82 VanDerWaalsContact NE-CD2 3.31Å; R58-H82 PolarHBondContact NE-CE1 3.26Å; R58-H82 PolarHBondContact NE-ND1 3.04Å; R58-H82 PolarHBondContact NH1-CD2 3.47Å; R58-H82 PolarHBondContact NH1-CE1 3.46Å; R58-H82 VanDerWaalsContact NH1-CG 3.33Å; R58-H82 PolarHBondContact NH1-NE2 3.29Å; R58-H82 PolarHBondContact NH2-CD2 3.26Å; R58-H82 PolarHBondContact NH2-CE1 3.47Å; R58-H82 PolarHBondContact NH2-ND1 2.93Å; R58-H82 PolarHBondContact NH2-NE2 3.02Å; C61-H82 PolarHBondContact SG-ND1 3.31Å; F78-H82 HydrophobicContact CB-CB 4.11Å; F78-H82 WeakPolarHBondContact CB-O 3.34Å; C79-H82 CarbonylContact O-C 3.54Å; C79-H82 PolarHBondContact O-N 3.39Å; I80-H82 VanDerWaalsContact C-N 3.25Å; I80-H82 PolarHBondContact O-N 2.77Å; H82-H84 VanDerWaalsContact C-N 3.27Å; H82-H84 PolarHBondContact O-N 2.94Å; H82-D87 HydrophobicContact CB-CB 4.08Å; H82-H88 PolarHBondContact O-ND1 3.38Å
83R94.5Very high90.2Very high164 Ų16478.4 Ų78.462%0.61939%0.388SS*.  trans-65.5-27.2-176.377.4178.7-163.6-94.64.1113.7L69 C79L69-R83 HydrophobicContact CD1-CB 4.35Å; C79-R83 PolarHBondContact O-N 3.47Å
84H92.9Very high88.8Confident103 Ų10372.9 Ų72.948%0.47738%0.376SS..SBendtrans-82144.9-173.9-167.1-116.6000111.2H82 L86 D87 H88H82-H84 VanDerWaalsContact C-N 3.27Å; H82-H84 PolarHBondContact O-N 2.94Å; H84-L86 PolarHBondContact O-N 3.38Å; H84-D87 VanDerWaalsContact CB-OD2 3.27Å; H84-D87 WeakPolarHBondContact CB-OD2 3.5Å; H84-D87 PolarHBondContact O-N 2.92Å; H84-H88 PolarHBondContact O-CE1 2.95Å; H84-H88 PolarHBondContact O-ND1 2.93Å
85P89.8Confident86.9Confident31 Ų3178.8 Ų78.820%0.20140%0.402CS..THydrogen-bonded Turntrans-59.8-13.2179.3-27.837.2000116.4C90P85-C90 HydrophobicContact CB-CB 4.23Å; P85-C90 WeakPolarHBondContact O-CB 3.28Å
86L89.6Confident85.1Confident150 Ų15079.9 Ų79.979%0.78541%0.406SS*.THydrogen-bonded Turntrans-90.8-17.9174.2-59.2179.4000113.2H84 H88H84-L86 PolarHBondContact O-N 3.38Å; L86-H88 VanDerWaalsContact C-N 3.31Å
87D91.6Very high83.6Confident67 Ų6777.1 Ų77.136%0.35840%0.4SS..THydrogen-bonded Turntrans-85.8-5-179.6-68.3-47.7000112.8R58 H82 H84R58-D87 WeakPolarHBondContact CD-O 3.46Å; R58-D87 VanDerWaalsContact CZ-O 3.23Å; R58-D87 PolarHBondContact NE-O 3.31Å; R58-D87 PolarHBondContact NH1-O 3.22Å; H82-D87 HydrophobicContact CB-CB 4.08Å; H84-D87 VanDerWaalsContact CB-OD2 3.27Å; H84-D87 WeakPolarHBondContact CB-OD2 3.5Å; H84-D87 PolarHBondContact O-N 2.92Å
88H92.1Very high82.5Confident13 Ų1380.3 Ų80.36%0.0642%0.423CS..THydrogen-bonded Turntrans-148162.1-178.466.7-100.5000112.8R58 F78 H82 H84 L86 C90R58-H88 HydrophobicContact CB-CB 4.26Å; R58-H88 HydrophobicContact CG-CB 4.46Å; F78-H88 HydrophobicContact CD1-CB 3.92Å; F78-H88 AromaticContact CD1-CG 3.98Å; F78-H88 AromaticContact CD2-CE1 3.65Å; F78-H88 AromaticContact CD2-ND1 3.66Å; F78-H88 HydrophobicContact CE1-CB 3.61Å; F78-H88 AromaticContact CE1-CD2 3.89Å; F78-H88 AromaticContact CE1-CG 3.64Å; F78-H88 AromaticContact CE2-CD2 3.49Å; F78-H88 VanDerWaalsContact CE2-CD2 3.49Å; F78-H88 WeakPolarHBondContact CE2-CD2 3.35Å; F78-H88 AromaticContact CE2-CE1 3.5Å; F78-H88 VanDerWaalsContact CE2-CE1 3.5Å; F78-H88 WeakPolarHBondContact CE2-CE1 3.33Å; F78-H88 AromaticContact CE2-CG 3.71Å; F78-H88 AromaticContact CE2-ND1 3.7Å; F78-H88 AromaticContact CE2-NE2 3.37Å; F78-H88 WeakPolarHBondContact CE2-NE2 3.44Å; F78-H88 AromaticContact CG-ND1 3.9Å; F78-H88 HydrophobicContact CZ-CB 3.97Å; F78-H88 AromaticContact CZ-CD2 3.29Å; F78-H88 WeakPolarHBondContact CZ-CD2 3.3Å; F78-H88 AromaticContact CZ-CG 3.49Å; F78-H88 VanDerWaalsContact CZ-CG 3.49Å; F78-H88 AromaticContact CZ-ND1 3.97Å; F78-H88 AromaticContact CZ-NE2 3.7Å; H82-H88 PolarHBondContact O-ND1 3.38Å; H84-H88 PolarHBondContact O-CE1 2.95Å; H84-H88 PolarHBondContact O-ND1 2.93Å; L86-H88 VanDerWaalsContact C-N 3.31Å; H88-C90 PolarHBondContact NE2-SG 3.39Å; H88-C90 PolarHBondContact O-N 2.98Å
89D89.8Confident81.4Confident115 Ų11591 Ų9162%0.61546%0.463SS*.THydrogen-bonded Turntrans-69.875.5178.9-43.8-88.2000110.4S91D89-S91 PolarHBondContact O-N 2.94Å; D89-S91 PolarHBondContact O-OG 2.85Å
90C89.6Confident80.2Confident35 Ų3594.1 Ų94.124%0.23649%0.489CS..  trans-7585.7-167.3-160.80000111.6C71 P85 H88 G92C71-C90 VanDerWaalsContact SG-SG 3.62Å; P85-C90 HydrophobicContact CB-CB 4.23Å; P85-C90 WeakPolarHBondContact O-CB 3.28Å; H88-C90 PolarHBondContact NE2-SG 3.39Å; H88-C90 PolarHBondContact O-N 2.98Å; C90-G92 PolarHBondContact O-N 2.84Å
91S84Confident79.7Confident78 Ų7890.7 Ų90.755%0.54548%0.477SS..  trans-71.227.7178.1-40.10000114.4R76 D89R76-S91 PolarHBondContact NH1-OG 2.72Å; R76-S91 PolarHBondContact NH2-OG 3.03Å; D89-S91 PolarHBondContact O-N 2.94Å; D89-S91 PolarHBondContact O-OG 2.85Å
92G76.4Confident78.9Confident13 Ų1387.8 Ų87.813%0.13447%0.469CS..SBendtrans-86125.4176.300000110.1R73 C90 G94R73-G92 WeakPolarHBondContact O-CA 3.47Å; C90-G92 PolarHBondContact O-N 2.84Å; G92-G94 WeakPolarHBondContact O-CA 3.48Å; G92-G94 PolarHBondContact O-N 2.76Å
93E65.6Low78.2Confident203 Ų20386.9 Ų86.995%0.94947%0.471SS*.SBendtrans-58.784.6174.4-74.4-69.19900110
94G59.7Low77.5Confident26 Ų2681.1 Ų81.127%0.26846%0.459SS..  trans-179.629.3-150.300000114R73 G92 P96R73-G94 PolarHBondContact NH1-O 2.93Å; G92-G94 WeakPolarHBondContact O-CA 3.48Å; G92-G94 PolarHBondContact O-N 2.76Å; G94-P96 VanDerWaalsContact O-CD 3.27Å; G94-P96 WeakPolarHBondContact O-CD 3.31Å
95H52.9Low76.8Confident139 Ų13980.1 Ų80.164%0.64446%0.456SS*.  trans-106.281.4156.7-162.2-71000110.4T97H95-T97 WeakPolarHBondContact CE1-CG2 3.43Å; H95-T97 PolarHBondContact ND1-N 2.88Å; H95-T97 PolarHBondContact ND1-OG1 3.23Å; H95-T97 PolarHBondContact O-N 3.15Å; H95-T97 PolarHBondContact O-OG1 3.5Å
96P54.4Low76.4Confident117 Ų11782 Ų8276%0.7647%0.47SS*.  trans-73.863.7170.234.2-36.5000110.5G94 S98G94-P96 VanDerWaalsContact O-CD 3.27Å; G94-P96 WeakPolarHBondContact O-CD 3.31Å; P96-S98 PolarHBondContact O-N 3.49Å
97T61.3Low76Confident40 Ų4082.5 Ų82.525%0.24546%0.461CS..  trans-60.7100.5147.919.40000105.4H95 L102 I105H95-T97 WeakPolarHBondContact CE1-CG2 3.43Å; H95-T97 PolarHBondContact ND1-N 2.88Å; H95-T97 PolarHBondContact ND1-OG1 3.23Å; H95-T97 PolarHBondContact O-N 3.15Å; H95-T97 PolarHBondContact O-OG1 3.5Å; T97-L102 HydrophobicContact CG2-CG 4.35Å; T97-I105 HydrophobicContact CG2-CD1 3.84Å
98S72.7Confident75.2Confident72 Ų7282.3 Ų82.350%0.50347%0.469SS..  trans-54.2163.9164.969.30000109.3P96 A100 G101 L102P96-S98 PolarHBondContact O-N 3.49Å; S98-A100 PolarHBondContact O-N 2.93Å; S98-A100 PolarHBondContact OG-N 3.19Å; S98-G101 WeakPolarHBondContact O-CA 3.34Å; S98-G101 PolarHBondContact O-N 3.04Å; S98-G101 PolarHBondContact OG-N 3.29Å; S98-L102 PolarHBondContact O-N 3.21Å
99R72.9Confident74.2Confident230 Ų23087.5 Ų87.587%0.86849%0.493SS*.Hα-helixtrans-52.5-29.1173.8-175.1174.5171.9-176.3-3.1112.4A103R99-A103 VanDerWaalsContact O-CB 3.28Å; R99-A103 WeakPolarHBondContact O-CB 3.36Å; R99-A103 PolarHBondContact O-N 3.48Å
100A71.4Confident72.8Confident67 Ų6785.2 Ų85.255%0.55449%0.491SS*.Hα-helixtrans-73.1-38.3172.200000113.4S98 A103 A104S98-A100 PolarHBondContact O-N 2.93Å; S98-A100 PolarHBondContact OG-N 3.19Å; A100-A103 PolarHBondContact O-N 3.21Å; A100-A104 WeakPolarHBondContact O-CB 3.24Å; A100-A104 PolarHBondContact O-N 2.95Å
101G81.4Confident71.1Confident23 Ų2389.8 Ų89.824%0.23752%0.517CS..Hα-helixtrans-64.7-47174.700000113.1S98 A103 A104 I105S98-G101 WeakPolarHBondContact O-CA 3.34Å; S98-G101 PolarHBondContact O-N 3.04Å; S98-G101 PolarHBondContact OG-N 3.29Å; G101-A103 VanDerWaalsContact C-N 3.34Å; G101-A103 PolarHBondContact O-N 3.49Å; G101-A104 WeakPolarHBondContact O-CB 3.16Å; G101-A104 PolarHBondContact O-N 3.16Å; G101-I105 WeakPolarHBondContact O-CG1 3.41Å; G101-I105 PolarHBondContact O-N 3.16Å; G101-I105 VanDerWaalsContact O-N 3.12Å
102L78.3Confident69.6Low101 Ų10189.8 Ų89.853%0.52952%0.522SS..Hα-helixtrans-57.5-48.7172.2-86.6169.8000110.6T97 S98 A104 I105 S106T97-L102 HydrophobicContact CG2-CG 4.35Å; S98-L102 PolarHBondContact O-N 3.21Å; L102-A104 VanDerWaalsContact C-N 3.26Å; L102-A104 PolarHBondContact O-N 3.11Å; L102-I105 PolarHBondContact O-N 3.13Å; L102-I105 VanDerWaalsContact O-N 3.16Å; L102-S106 PolarHBondContact O-N 2.92Å; L102-S106 PolarHBondContact O-OG 2.72Å
103A82.3Confident68.6Low37 Ų3793.9 Ų93.931%0.30655%0.549SS..Hα-helixtrans-63.7-28.6179.100000113.5R99 A100 G101 R107R99-A103 VanDerWaalsContact O-CB 3.28Å; R99-A103 WeakPolarHBondContact O-CB 3.36Å; R99-A103 PolarHBondContact O-N 3.48Å; A100-A103 PolarHBondContact O-N 3.21Å; G101-A103 VanDerWaalsContact C-N 3.34Å; G101-A103 PolarHBondContact O-N 3.49Å; A103-R107 WeakPolarHBondContact O-CG 3.47Å; A103-R107 PolarHBondContact O-N 3.1Å; A103-R107 VanDerWaalsContact O-N 3.14Å; A103-R107 PolarHBondContact O-NH1 2.79Å; A103-R107 VanDerWaalsContact O-NH1 3.12Å
104A78.2Confident67.7Low44 Ų4489.8 Ų89.836%0.36454%0.538SS..Hα-helixtrans-68.8-44.2173.300000111.6A100 G101 L102 R107 A108A100-A104 WeakPolarHBondContact O-CB 3.24Å; A100-A104 PolarHBondContact O-N 2.95Å; G101-A104 WeakPolarHBondContact O-CB 3.16Å; G101-A104 PolarHBondContact O-N 3.16Å; L102-A104 VanDerWaalsContact C-N 3.26Å; L102-A104 PolarHBondContact O-N 3.11Å; A104-R107 PolarHBondContact O-N 3.44Å; A104-A108 PolarHBondContact O-N 3.23Å
105I78.9Confident67.3Low82 Ų8294.9 Ų94.942%0.42157%0.569SS.*Hα-helixtrans-63.1-44.8176-63.4167.8000110.5T97 G101 L102 R107 A108 Q109T97-I105 HydrophobicContact CG2-CD1 3.84Å; G101-I105 WeakPolarHBondContact O-CG1 3.41Å; G101-I105 PolarHBondContact O-N 3.16Å; G101-I105 VanDerWaalsContact O-N 3.12Å; L102-I105 PolarHBondContact O-N 3.13Å; L102-I105 VanDerWaalsContact O-N 3.16Å; I105-R107 VanDerWaalsContact C-N 3.32Å; I105-R107 PolarHBondContact O-N 3.41Å; I105-A108 PolarHBondContact O-N 2.88Å; I105-A108 VanDerWaalsContact O-N 3.11Å; I105-Q109 HydrophobicContact CG2-CG 4.46Å; I105-Q109 WeakPolarHBondContact O-CG 3.21Å; I105-Q109 PolarHBondContact O-N 2.95Å
106S81.9Confident66.8Low69 Ų6994 Ų9448%0.48357%0.574SS.*Hα-helixtrans-61.6-36.4176.8-54.40000113.1L102 Q109 A110L102-S106 PolarHBondContact O-N 2.92Å; L102-S106 PolarHBondContact O-OG 2.72Å; S106-Q109 PolarHBondContact O-N 3.47Å; S106-A110 PolarHBondContact O-N 2.88Å; S106-A110 VanDerWaalsContact O-N 3.11Å
107R81.2Confident66.5Low161 Ų16195 Ų9561%0.60858%0.577SS**Hα-helixtrans-68.5-38.9172.7-73.4-173.2-55.6-88.43112.4A103 A104 I105 Q109 A110A103-R107 WeakPolarHBondContact O-CG 3.47Å; A103-R107 PolarHBondContact O-N 3.1Å; A103-R107 VanDerWaalsContact O-N 3.14Å; A103-R107 PolarHBondContact O-NH1 2.79Å; A103-R107 VanDerWaalsContact O-NH1 3.12Å; A104-R107 PolarHBondContact O-N 3.44Å; I105-R107 VanDerWaalsContact C-N 3.32Å; I105-R107 PolarHBondContact O-N 3.41Å; R107-Q109 VanDerWaalsContact C-N 3.3Å; R107-Q109 PolarHBondContact O-N 3.34Å; R107-A110 PolarHBondContact O-N 2.9Å
108A74.1Confident65.7Low63 Ų6399 Ų9952%0.52160%0.604SS.*Hα-helixtrans-68.3-27.5176.100000113A104 I105 V111A104-A108 PolarHBondContact O-N 3.23Å; I105-A108 PolarHBondContact O-N 2.88Å; I105-A108 VanDerWaalsContact O-N 3.11Å; A108-V111 WeakPolarHBondContact O-CG2 3.39Å
109Q70.7Confident64.2Low123 Ų123100.8 Ų100.858%0.57562%0.616SS**Hα-helixtrans-77.9-34.5173.4-72.5170.8-23.400112.3I105 S106 R107 V111 A112I105-Q109 HydrophobicContact CG2-CG 4.46Å; I105-Q109 WeakPolarHBondContact O-CG 3.21Å; I105-Q109 PolarHBondContact O-N 2.95Å; S106-Q109 PolarHBondContact O-N 3.47Å; R107-Q109 VanDerWaalsContact C-N 3.3Å; R107-Q109 PolarHBondContact O-N 3.34Å; Q109-V111 VanDerWaalsContact C-N 3.27Å; Q109-V111 PolarHBondContact O-N 3.42Å; Q109-A112 PolarHBondContact O-N 2.85Å
110A60.1Low63.2Low67 Ų6796 Ų9655%0.55462%0.615SS**Hα-helixtrans-61.1-31.517800000113.7S106 R107 A112S106-A110 PolarHBondContact O-N 2.88Å; S106-A110 VanDerWaalsContact O-N 3.11Å; R107-A110 PolarHBondContact O-N 2.9Å; A110-A112 VanDerWaalsContact C-N 3.26Å; A110-A112 PolarHBondContact O-N 2.84Å
111V53.8Low61.7Low130 Ų13098.4 Ų98.479%0.78863%0.627SS**THydrogen-bonded Turntrans-77.7-7.6176.1-62.40000114A108 Q109A108-V111 WeakPolarHBondContact O-CG2 3.39Å; Q109-V111 VanDerWaalsContact C-N 3.27Å; Q109-V111 PolarHBondContact O-N 3.42Å
112A54.2Low60.3Low79 Ų79106.6 Ų106.665%0.65366%0.66SS**THydrogen-bonded Turntrans-99.57.4-178.200000113.8Q109 A110Q109-A112 PolarHBondContact O-N 2.85Å; A110-A112 VanDerWaalsContact C-N 3.26Å; A110-A112 PolarHBondContact O-N 2.84Å
113S55.4Low58.1Low99 Ų99108.3 Ų108.369%0.69268%0.675SS**SBendtrans-148.135.4-168-65.10000116.7
114T45.2Very low56.4Low117 Ų117114.4 Ų114.472%0.71870%0.699SS**  trans-154.2120.4156.612.40000112.3T116T114-T116 PolarHBondContact O-N 3.14Å
115S52.4Low55Low132 Ų132118.1 Ų118.192%0.92372%0.719SS**  trans-95.571.4169.3-63.50000111
116T42.9Very low53Low122 Ų122119.4 Ų119.475%0.74874%0.736SS**  trans-150.7140.5172.310000113.3T114T114-T116 PolarHBondContact O-N 3.14Å
117V46.4Very low51.1Low136 Ų136121.8 Ų121.882%0.82475%0.751SS**  trans-72.7163.1-177.9-101.10000113.1
118P46.1Very low48.9Very low126 Ų126121.1 Ų121.182%0.81877%0.765SS**  cis-145.2-168.844.842.3-20.5000118.4
119S39.8Very low47.2Very low108 Ų108123.5 Ų123.576%0.75578%0.777SS**  trans-64.9154.6-167.2-460000117.2
120P51.7Low46.5Very low130 Ų130123 Ų12384%0.84479%0.785SS**  trans-84.9137172.234-33.3000112.9
121S40.3Very low45.4Very low117 Ų117125.1 Ų125.182%0.81880%0.796SS**  trans-117.8127.6167.9-77.60000111.3
122Q52.2Low44.7Very low195 Ų195130.8 Ų130.891%0.91180%0.803SS**  trans-27.9129.8177-54.4165.847.100117.1
123T32.6Very low44Very low138 Ų138131.1 Ų131.185%0.84781%0.806SS**  trans-153.8131.3137.8-24.90000111.5
124M46.7Very low43.1Very low165 Ų165132.8 Ų132.881%0.81381%0.812SS**  trans-93.1151164.5-70.9-82.3-74.800109.2
125P49Very low42.6Very low122 Ų122133.6 Ų133.679%0.79282%0.817SS**  trans-124.8147.7139.835.1-27.6000112.1
126S36.5Very low42.3Very low109 Ų109138.7 Ų138.776%0.76282%0.816SS**  trans-89171-173.4-61.30000114
127C42.4Very low41.8Very low119 Ų119138.1 Ų138.180%0.80482%0.817SS**  trans-55.2154.1-174.352.40000118.2
128T34.5Very low41.7Very low146 Ų146137.8 Ų137.890%0.89682%0.817SS**  trans-141.4148.8138.523.70000109.9
129S38Very low41.3Very low113 Ų113136.1 Ų136.179%0.7981%0.809SS**  trans-87.2-168.7-168.2-38.90000112.8
130P55.8Low41.6Very low113 Ų113143.4 Ų143.473%0.73482%0.82SS**  cis-136.7170.3-1040.7-24.9000115.6
131S36.7Very low41Very low111 Ų111142.9 Ų142.978%0.77682%0.815SS**  167.8123123.9-79.40000116
132R39.3Very low41.3Very low249 Ų249141.4 Ų141.494%0.9481%0.81SS**  41.5134.9126.6-167.9156.1149.6-111.62.1121.2
133A39.2Very low41.1Very low87 Ų87137.5 Ų137.572%0.71980%0.801SS**  trans-87.5-174.3-168.100000116.5
134T37.7Very low41.7Very low133 Ų133136 Ų13682%0.81679%0.793SS**  trans96.1129.3-178.1-39.40000111.6
135T34.3Very low41.7Very low135 Ų135135 Ų13583%0.82880%0.797SS**  cis-131.9166.312.4-23.90000111.6
136R45.5Very low41.7Very low239 Ų239135.4 Ų135.490%0.90279%0.791SS**  trans-104.4134.7179.5-152.8170.471.5-1504111
137S34.2Very low42.4Very low110 Ų110134.9 Ų134.977%0.76979%0.793SS**  trans-156.5137.7166-73.70000108.9S139S137-S139 PolarHBondContact O-N 2.84Å
138P43.1Very low42.8Very low128 Ų128136.4 Ų136.483%0.83179%0.793SS**  trans-81120.5-169.230.6-33.6000112.1
139S38Very low43.4Very low92 Ų92138.4 Ų138.464%0.64379%0.792SS**  trans-88141.8159.250.80000109.7S137 T141S137-S139 PolarHBondContact O-N 2.84Å; S139-T141 VanDerWaalsContact C-N 3.3Å; S139-T141 PolarHBondContact O-N 2.8Å
140W46.7Very low44.4Very low261 Ų261141.2 Ų141.299%0.98980%0.798SS**  trans-74.883.9171-78.562.5000109.5A142W140-A142 PolarHBondContact O-N 3.42Å
141T37.7Very low44.4Very low119 Ų119139.3 Ų139.373%0.7380%0.799SS**  trans-77.2107.2169.147.20000109.7S139S139-T141 VanDerWaalsContact C-N 3.3Å; S139-T141 PolarHBondContact O-N 2.8Å
142A47.6Very low45.1Very low86 Ų86139 Ų13971%0.71179%0.788SS**PPolyproline II helixtrans-54.7144.115800000109.4W140W140-A142 PolarHBondContact O-N 3.42Å
143P47.1Very low46.6Very low112 Ų112130.4 Ų130.473%0.72777%0.766SS**PPolyproline II helixtrans-61.6148178.426.6-34.5000110.5V145P143-V145 PolarHBondContact O-N 2.85Å
144P45.5Very low48.5Very low106 Ų106134.9 Ų134.969%0.68877%0.772SS**PPolyproline II helixtrans-63.5127.9176.627.3-33.6000109.6I146P144-I146 HydrophobicContact CG-CG1 4.41Å; P144-I146 PolarHBondContact O-N 2.77Å
145V47.1Very low50.4Low146 Ų146133.9 Ų133.989%0.88576%0.762SS**  trans-68.585.5167.7-77.60000109.2P143 A147P143-V145 PolarHBondContact O-N 2.85Å; V145-A147 PolarHBondContact O-N 3.32Å
146I48.7Very low52.6Low129 Ų129131.2 Ų131.266%0.66274%0.74SS**  trans-66.7105.8174.2-65.7167.5000107.5P144 L148P144-I146 HydrophobicContact CG-CG1 4.41Å; P144-I146 PolarHBondContact O-N 2.77Å; I146-L148 HydrophobicContact CG2-CD1 3.64Å; I146-L148 PolarHBondContact O-N 3.35Å
147A52.4Low54.2Low99 Ų99122.2 Ų122.282%0.81872%0.716SS**  trans-69.995.7171.100000109.3V145V145-A147 PolarHBondContact O-N 3.32Å
148L48.9Very low56.6Low151 Ų151122 Ų12279%0.79171%0.706SS**PPolyproline II helixtrans-94.2145.6164.6-119.673.5000110I146I146-L148 HydrophobicContact CG2-CD1 3.64Å; I146-L148 PolarHBondContact O-N 3.35Å
149Q47.8Very low58.6Low187 Ų187121 Ų12187%0.87469%0.69SS**PPolyproline II helixtrans-74.2152.3-172.1-67.9149.3-90.100112.2
150N58.9Low60.6Low172 Ų172121.2 Ų121.292%0.9268%0.677SS**SBendtrans-49.9137.4-176.9-55.923.4000112.8
151G55.6Low62.3Low73 Ų73111.1 Ų111.175%0.75365%0.649SS**  trans-171.6-7.617500000116.8
152L50.8Low64.3Low106 Ų106110.2 Ų110.256%0.55564%0.639SS**SBendtrans-114.9144.4179.4-54.6-178.9000109.8R160L152-R160 VanDerWaalsContact CD1-NH2 3.27Å
153S72Confident65.8Low67 Ų67110.9 Ų110.947%0.46963%0.628SS.*  trans-73.6157.1169.863.60000110.7D155 E156 A157S153-D155 PolarHBondContact O-N 2.98Å; S153-E156 PolarHBondContact O-N 3.33Å; S153-E156 VanDerWaalsContact O-N 3.17Å; S153-E156 WeakPolarHBondContact OG-CB 3.32Å; S153-E156 PolarHBondContact OG-N 3.18Å; S153-A157 PolarHBondContact O-N 2.87Å
154E78.3Confident66.8Low181 Ų181112 Ų11285%0.84663%0.625SS**Hα-helixtrans-55.9-39177.4-170.7173.111200111.7A157 L158E154-A157 PolarHBondContact O-N 3.09Å; E154-L158 WeakPolarHBondContact O-CB 3.36Å; E154-L158 PolarHBondContact O-N 2.99Å
155D78.4Confident68.2Low113 Ų113110.9 Ų110.960%0.60462%0.62SS**Hα-helixtrans-65.8-42.4177.1-163.155.5000112.5S153 A157 L158 Q159S153-D155 PolarHBondContact O-N 2.98Å; D155-A157 VanDerWaalsContact C-N 3.32Å; D155-A157 PolarHBondContact O-N 3.46Å; D155-L158 PolarHBondContact O-N 2.81Å; D155-Q159 WeakPolarHBondContact O-CB 3.35Å; D155-Q159 PolarHBondContact O-N 3.04Å
156E80Confident69.2Low79 Ų79109.8 Ų109.837%0.36961%0.608SS.*Hα-helixtrans-71.3-28.5177.7-156.6-166.6160.400112.2S153 R160S153-E156 PolarHBondContact O-N 3.33Å; S153-E156 VanDerWaalsContact O-N 3.17Å; S153-E156 WeakPolarHBondContact OG-CB 3.32Å; S153-E156 PolarHBondContact OG-N 3.18Å; E156-R160 WeakPolarHBondContact O-CB 3.18Å; E156-R160 PolarHBondContact O-N 3.01Å; E156-R160 IonicContact OE1-CZ 3.72Å; E156-R160 IonicContact OE1-NH1 2.7Å; E156-R160 PolarHBondContact OE1-NH1 3.2Å; E156-R160 IonicContact OE1-NH2 3.81Å; E156-R160 PolarHBondContact OE1-NH2 3.02Å; E156-R160 IonicContact OE2-NH2 3.16Å
157A79.3Confident69.6Low49 Ų49107.1 Ų107.141%0.40561%0.605SS.*Hα-helixtrans-73.2-41.6170.400000111.9S153 E154 D155 A161S153-A157 PolarHBondContact O-N 2.87Å; E154-A157 PolarHBondContact O-N 3.09Å; D155-A157 VanDerWaalsContact C-N 3.32Å; D155-A157 PolarHBondContact O-N 3.46Å; A157-A161 WeakPolarHBondContact O-CB 3.32Å; A157-A161 PolarHBondContact O-N 2.88Å
158L85.4Confident69.5Low105 Ų105110.6 Ų110.655%0.5561%0.605SS.*Hα-helixtrans-65.3-46176.8-170.276.4000111.4E154 D155 R160 A161 L162E154-L158 WeakPolarHBondContact O-CB 3.36Å; E154-L158 PolarHBondContact O-N 2.99Å; D155-L158 PolarHBondContact O-N 2.81Å; L158-R160 PolarHBondContact O-N 2.94Å; L158-A161 WeakPolarHBondContact O-CB 3.29Å; L158-A161 PolarHBondContact O-N 2.95Å; L158-L162 HydrophobicContact CG-CD1 4.37Å; L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.45Å
159Q84.6Confident69.9Low109 Ų109109 Ų10951%0.50960%0.601SS.*Hα-helixtrans-63.8-42178.5-171.5173.8-34.800111.1D155 A161 L162 E163D155-Q159 WeakPolarHBondContact O-CB 3.35Å; D155-Q159 PolarHBondContact O-N 3.04Å; Q159-A161 PolarHBondContact O-N 3.29Å; Q159-L162 PolarHBondContact O-N 3.23Å; Q159-E163 PolarHBondContact NE2-OE1 3.14Å; Q159-E163 VanDerWaalsContact NE2-OE1 3.11Å; Q159-E163 WeakPolarHBondContact O-CB 3.26Å; Q159-E163 VanDerWaalsContact O-CG 3.31Å; Q159-E163 WeakPolarHBondContact O-CG 3.34Å; Q159-E163 PolarHBondContact O-N 3.5Å
160R79.3Confident69.5Low95 Ų95108.5 Ų108.536%0.35860%0.596SS.*Hα-helixtrans-66.1-33.9172.3-84.2-164.3-80.3-87.77.2113.7L152 E156 L158 E163 M164L152-R160 VanDerWaalsContact CD1-NH2 3.27Å; E156-R160 WeakPolarHBondContact O-CB 3.18Å; E156-R160 PolarHBondContact O-N 3.01Å; E156-R160 IonicContact OE1-CZ 3.72Å; E156-R160 IonicContact OE1-NH1 2.7Å; E156-R160 PolarHBondContact OE1-NH1 3.2Å; E156-R160 IonicContact OE1-NH2 3.81Å; E156-R160 PolarHBondContact OE1-NH2 3.02Å; E156-R160 IonicContact OE2-NH2 3.16Å; L158-R160 PolarHBondContact O-N 2.94Å; R160-E163 PolarHBondContact O-N 2.94Å; R160-M164 WeakPolarHBondContact O-CB 3.17Å; R160-M164 VanDerWaalsContact O-CG 3.25Å; R160-M164 WeakPolarHBondContact O-CG 3.27Å; R160-M164 PolarHBondContact O-N 2.98Å
161A81.9Confident68.9Low49 Ų49106.2 Ų106.241%0.40559%0.591SS.*Hα-helixtrans-64-42.9173.500000111.5A157 L158 Q159 M164 S165A157-A161 WeakPolarHBondContact O-CB 3.32Å; A157-A161 PolarHBondContact O-N 2.88Å; L158-A161 WeakPolarHBondContact O-CB 3.29Å; L158-A161 PolarHBondContact O-N 2.95Å; Q159-A161 PolarHBondContact O-N 3.29Å; A161-M164 PolarHBondContact O-N 3.49Å; A161-S165 PolarHBondContact O-N 2.68Å; A161-S165 PolarHBondContact O-OG 3.04Å; A161-S165 VanDerWaalsContact O-OG 3.13Å
162L81.3Confident68Low101 Ų101111.6 Ų111.653%0.52960%0.596SS.*Hα-helixtrans-65.8-42174.7-68.4168.6000112.1L158 Q159 M164 S165 L166L158-L162 HydrophobicContact CG-CD1 4.37Å; L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.45Å; Q159-L162 PolarHBondContact O-N 3.23Å; L162-M164 VanDerWaalsContact C-N 3.33Å; L162-M164 PolarHBondContact O-N 2.81Å; L162-S165 PolarHBondContact O-N 2.47Å; L162-L166 WeakPolarHBondContact O-CB 3.45Å; L162-L166 VanDerWaalsContact O-CG 3.3Å; L162-L166 WeakPolarHBondContact O-CG 3.36Å; L162-L166 PolarHBondContact O-N 3.33Å
163E78.8Confident67.9Low100 Ų100112.7 Ų112.747%0.46761%0.607SS.*Hα-helixtrans-62.5-38.4174-74.2169.4177.900111.7Q159 R160 L166 A167Q159-E163 PolarHBondContact NE2-OE1 3.14Å; Q159-E163 VanDerWaalsContact NE2-OE1 3.11Å; Q159-E163 WeakPolarHBondContact O-CB 3.26Å; Q159-E163 VanDerWaalsContact O-CG 3.31Å; Q159-E163 WeakPolarHBondContact O-CG 3.34Å; Q159-E163 PolarHBondContact O-N 3.5Å; R160-E163 PolarHBondContact O-N 2.94Å; E163-L166 PolarHBondContact O-N 2.17Å; E163-A167 VanDerWaalsContact O-CB 3.26Å; E163-A167 WeakPolarHBondContact O-CB 3.37Å; E163-A167 PolarHBondContact O-N 3.1Å
164M66.8Low66.8Low135 Ų135113.3 Ų113.367%0.66561%0.61SS**Hα-helixtrans-65.1-47.2172.8-74.5174.56500111.8R160 A161 L162 L166 A167 E168R160-M164 WeakPolarHBondContact O-CB 3.17Å; R160-M164 VanDerWaalsContact O-CG 3.25Å; R160-M164 WeakPolarHBondContact O-CG 3.27Å; R160-M164 PolarHBondContact O-N 2.98Å; A161-M164 PolarHBondContact O-N 3.49Å; L162-M164 VanDerWaalsContact C-N 3.33Å; L162-M164 PolarHBondContact O-N 2.81Å; M164-L166 PolarHBondContact O-N 2.99Å; M164-A167 PolarHBondContact O-N 2.17Å; M164-A167 VanDerWaalsContact O-N 3.14Å; M164-E168 PolarHBondContact O-N 2.49Å; M164-E168 VanDerWaalsContact O-N 3.08Å
165S76.1Confident65.5Low83 Ų83107.8 Ų107.858%0.5859%0.591SS**Hα-helixtrans-61.4-28.7175.6-60.90000113.5A161 L162A161-S165 PolarHBondContact O-N 2.68Å; A161-S165 PolarHBondContact O-OG 3.04Å; A161-S165 VanDerWaalsContact O-OG 3.13Å; L162-S165 PolarHBondContact O-N 2.47Å
166L67.5Low64.6Low122 Ų122107.6 Ų107.664%0.63960%0.597SS**Hα-helixtrans-83.7-31.5174.2-69.6170.1000112.6L162 E163 M164 E168 T169L162-L166 WeakPolarHBondContact O-CB 3.45Å; L162-L166 VanDerWaalsContact O-CG 3.3Å; L162-L166 WeakPolarHBondContact O-CG 3.36Å; L162-L166 PolarHBondContact O-N 3.33Å; E163-L166 PolarHBondContact O-N 2.17Å; M164-L166 PolarHBondContact O-N 2.99Å; L166-E168 VanDerWaalsContact C-N 3.28Å; L166-E168 PolarHBondContact O-N 3.24Å; L166-T169 WeakPolarHBondContact O-CB 3.5Å; L166-T169 WeakPolarHBondContact O-CG2 3.5Å; L166-T169 PolarHBondContact O-N 2.16Å; L166-T169 PolarHBondContact O-OG1 2.18Å
167A56.5Low63.8Low73 Ų73110.3 Ų110.360%0.60361%0.61SS**Hα-helixtrans-68.5-27175.200000112.8E163 M164 T169E163-A167 VanDerWaalsContact O-CB 3.26Å; E163-A167 WeakPolarHBondContact O-CB 3.37Å; E163-A167 PolarHBondContact O-N 3.1Å; M164-A167 PolarHBondContact O-N 2.17Å; M164-A167 VanDerWaalsContact O-N 3.14Å; A167-T169 PolarHBondContact O-N 3.31Å
168E51.4Low63.9Low173 Ų173113.5 Ų113.581%0.80862%0.616SS**THydrogen-bonded Turntrans-67.3-0.9175.2-147.8160.3111.900113.5M164 L166M164-E168 PolarHBondContact O-N 2.49Å; M164-E168 VanDerWaalsContact O-N 3.08Å; L166-E168 VanDerWaalsContact C-N 3.28Å; L166-E168 PolarHBondContact O-N 3.24Å
169T57.8Low63.8Low116 Ų116114.9 Ų114.971%0.71262%0.62SS**THydrogen-bonded Turntrans-89.811.6179.768.40000115.2L166 A167L166-T169 WeakPolarHBondContact O-CB 3.5Å; L166-T169 WeakPolarHBondContact O-CG2 3.5Å; L166-T169 PolarHBondContact O-N 2.16Å; L166-T169 PolarHBondContact O-OG1 2.18Å; A167-T169 PolarHBondContact O-N 3.31Å
170K38.4Very low63.7Low177 Ų177117 Ų11777%0.7763%0.63SS**SBendtrans-135.2130.5178.9-157.5161.9-174171.70111.7
171P46.3Very low64.2Low125 Ų125117 Ų11781%0.81264%0.637SS**  trans-77.8132.9-143.927.3-36.4000114.7
172Q36.9Very low64.7Low186 Ų186119 Ų11987%0.86964%0.641SS**SBendtrans-118.583.2163.3-71.3-151.5-29.500111.1
173V49.5Very low65.2Low128 Ų128116.9 Ų116.978%0.77664%0.638SS**  trans65.5128.2172.8-159.40000113.9S175V173-S175 PolarHBondContact O-N 3.2Å; V173-S175 VanDerWaalsContact O-N 3.1Å
174P47.4Very low66Low81 Ų81117 Ų11753%0.52664%0.64SS.*  trans-56.6120.8168.7-22.233.3000109.7C176P174-C176 PolarHBondContact O-N 3.46Å
175S52.4Low67.3Low65 Ų65112.9 Ų112.946%0.45563%0.628SS.*  trans-60.2136160.5-179.50000107.1V173 Q177 E178 E179V173-S175 PolarHBondContact O-N 3.2Å; V173-S175 VanDerWaalsContact O-N 3.1Å; S175-Q177 PolarHBondContact O-N 2.96Å; S175-E178 PolarHBondContact O-N 3.17Å; S175-E179 PolarHBondContact O-N 3.12Å
176C59.2Low68.2Low108 Ų108115.4 Ų115.473%0.7363%0.631SS**Hα-helixtrans-55.9-26.9178.451.10000112.3P174 E180P174-C176 PolarHBondContact O-N 3.46Å; C176-E180 WeakPolarHBondContact O-CB 3.49Å; C176-E180 PolarHBondContact O-N 3.45Å
177Q64.1Low69.6Low136 Ų136112.4 Ų112.464%0.63662%0.624SS**Hα-helixtrans-70.6-35.3174.5-169172.4-13.900113.4S175 E180 D181S175-Q177 PolarHBondContact O-N 2.96Å; Q177-E180 PolarHBondContact O-N 3.16Å; Q177-D181 WeakPolarHBondContact O-CB 3.34Å; Q177-D181 PolarHBondContact O-N 3.29Å
178E80.6Confident71.4Confident116 Ų116114.4 Ų114.454%0.54262%0.624SS.*Hα-helixtrans-70.9-37.5178.4-172.1-178.1118.900111.5S175 E180 L182S175-E178 PolarHBondContact O-N 3.17Å; E178-E180 VanDerWaalsContact C-N 3.34Å; E178-L182 HydrophobicContact CG-CD1 4.26Å; E178-L182 VanDerWaalsContact O-CB 3.31Å; E178-L182 WeakPolarHBondContact O-CB 3.39Å; E178-L182 VanDerWaalsContact O-CG 3.26Å; E178-L182 WeakPolarHBondContact O-CG 3.4Å; E178-L182 PolarHBondContact O-N 3.2Å
179E82.9Confident73.5Confident134 Ų134110 Ų11063%0.62661%0.612SS**Hα-helixtrans-66.1-37.4173.4-168.7169.9111.900111.6S175 A183S175-E179 PolarHBondContact O-N 3.12Å; E179-A183 VanDerWaalsContact O-CB 3.3Å; E179-A183 WeakPolarHBondContact O-CB 3.39Å; E179-A183 PolarHBondContact O-N 2.88Å
180E82.4Confident75.3Confident153 Ų153107.1 Ų107.172%0.71560%0.6SS**Hα-helixtrans-70.2-43177.3-154.8169.8116.100112.2C176 Q177 E178 A183 L184C176-E180 WeakPolarHBondContact O-CB 3.49Å; C176-E180 PolarHBondContact O-N 3.45Å; Q177-E180 PolarHBondContact O-N 3.16Å; E178-E180 VanDerWaalsContact C-N 3.34Å; E180-A183 PolarHBondContact O-N 3.12Å; E180-L184 WeakPolarHBondContact O-CB 3.33Å; E180-L184 PolarHBondContact O-N 3.33Å
181D90.9Very high78Confident95 Ų95102.2 Ų102.251%0.50859%0.588SS.*Hα-helixtrans-64-41173.2-85.3-47000112Q177 L184 A185Q177-D181 WeakPolarHBondContact O-CB 3.34Å; Q177-D181 PolarHBondContact O-N 3.29Å; D181-L184 PolarHBondContact O-N 3.07Å; D181-A185 WeakPolarHBondContact O-CB 3.27Å; D181-A185 PolarHBondContact O-N 3.3Å
182L91.8Very high80.4Confident93 Ų93102.1 Ų102.149%0.48758%0.577SS.*Hα-helixtrans-65.8-40.9174.8-77.9170.3000112.2E178 A185 Q186E178-L182 HydrophobicContact CG-CD1 4.26Å; E178-L182 VanDerWaalsContact O-CB 3.31Å; E178-L182 WeakPolarHBondContact O-CB 3.39Å; E178-L182 VanDerWaalsContact O-CG 3.26Å; E178-L182 WeakPolarHBondContact O-CG 3.4Å; E178-L182 PolarHBondContact O-N 3.2Å; L182-A185 PolarHBondContact O-N 3.11Å; L182-Q186 WeakPolarHBondContact O-CG 3.44Å; L182-Q186 PolarHBondContact O-N 2.97Å
183A91.6Very high83.1Confident56 Ų5695.3 Ų95.346%0.46355%0.552SS.*Hα-helixtrans-63.3-41.5175.300000111.6E179 E180 Q186 A187E179-A183 VanDerWaalsContact O-CB 3.3Å; E179-A183 WeakPolarHBondContact O-CB 3.39Å; E179-A183 PolarHBondContact O-N 2.88Å; E180-A183 PolarHBondContact O-N 3.12Å; A183-Q186 PolarHBondContact O-N 3.29Å; A183-A187 WeakPolarHBondContact O-CB 3.05Å; A183-A187 PolarHBondContact O-N 2.9Å
184L95.1Very high85.3Confident101 Ų10194.7 Ų94.753%0.52954%0.541SS..Hα-helixtrans-63.5-44.8175-179.659.5000111.9E180 D181 Q186 A187 L188E180-L184 WeakPolarHBondContact O-CB 3.33Å; E180-L184 PolarHBondContact O-N 3.33Å; D181-L184 PolarHBondContact O-N 3.07Å; L184-Q186 VanDerWaalsContact C-N 3.34Å; L184-Q186 PolarHBondContact O-N 3.14Å; L184-A187 PolarHBondContact O-N 2.84Å; L184-L188 HydrophobicContact CD1-CD1 4.33Å; L184-L188 HydrophobicContact CD1-CG 4.33Å; L184-L188 HydrophobicContact CG-CD1 4.24Å; L184-L188 WeakPolarHBondContact O-CG 3.28Å; L184-L188 PolarHBondContact O-N 3.35Å
185A94.2Very high87.4Confident50 Ų5097.4 Ų97.441%0.41354%0.542SS..Hα-helixtrans-61.3-40.5176.700000112.4D181 L182 S189D181-A185 WeakPolarHBondContact O-CB 3.27Å; D181-A185 PolarHBondContact O-N 3.3Å; L182-A185 PolarHBondContact O-N 3.11Å; A185-S189 WeakPolarHBondContact O-CB 3.49Å; A185-S189 PolarHBondContact O-N 2.93Å; A185-S189 PolarHBondContact O-OG 3.13Å
186Q96Very high89.3Confident136 Ų13699.5 Ų99.564%0.63654%0.544SS*.Hα-helixtrans-66.3-42.4174.4-72.1178.820.300112.2L182 A183 L184 S189 A190L182-Q186 WeakPolarHBondContact O-CG 3.44Å; L182-Q186 PolarHBondContact O-N 2.97Å; A183-Q186 PolarHBondContact O-N 3.29Å; L184-Q186 VanDerWaalsContact C-N 3.34Å; L184-Q186 PolarHBondContact O-N 3.14Å; Q186-S189 PolarHBondContact O-N 3.33Å; Q186-A190 WeakPolarHBondContact O-CB 3.32Å; Q186-A190 PolarHBondContact O-N 3.08Å
187A95.3Very high90.8Very high59 Ų59102.7 Ų102.749%0.48854%0.541SS..Hα-helixtrans-63-44.5178.400000112.4A183 L184 A190 S191A183-A187 WeakPolarHBondContact O-CB 3.05Å; A183-A187 PolarHBondContact O-N 2.9Å; L184-A187 PolarHBondContact O-N 2.84Å; A187-A190 PolarHBondContact O-N 3.47Å; A187-S191 WeakPolarHBondContact O-CB 3.42Å; A187-S191 PolarHBondContact O-N 2.83Å
188L95Very high91.9Very high115 Ų115101.8 Ų101.860%0.60254%0.537SS*.Hα-helixtrans-61.5-45.8174.4-69.6171.6000111.4L184 A190 S191 E192L184-L188 HydrophobicContact CD1-CD1 4.33Å; L184-L188 HydrophobicContact CD1-CG 4.33Å; L184-L188 HydrophobicContact CG-CD1 4.24Å; L184-L188 WeakPolarHBondContact O-CG 3.28Å; L184-L188 PolarHBondContact O-N 3.35Å; L188-A190 PolarHBondContact O-N 3.14Å; L188-S191 PolarHBondContact O-N 3.27Å; L188-E192 PolarHBondContact O-N 3.06Å
189S95.9Very high92.1Very high81 Ų8199.9 Ų99.957%0.56653%0.528SS*.Hα-helixtrans-61.8-40.8178.8-58.20000112.6A185 Q186 A193A185-S189 WeakPolarHBondContact O-CB 3.49Å; A185-S189 PolarHBondContact O-N 2.93Å; A185-S189 PolarHBondContact O-OG 3.13Å; Q186-S189 PolarHBondContact O-N 3.33Å; S189-A193 WeakPolarHBondContact O-CB 3.5Å; S189-A193 PolarHBondContact O-N 3.47Å; S189-A193 VanDerWaalsContact O-N 3.11Å
190A95.1Very high92Very high55 Ų5596.3 Ų96.346%0.45552%0.521SS..Hα-helixtrans-65.3-46.7176.300000111.5Q186 A187 L188 E192 A193 E194Q186-A190 WeakPolarHBondContact O-CB 3.32Å; Q186-A190 PolarHBondContact O-N 3.08Å; A187-A190 PolarHBondContact O-N 3.47Å; L188-A190 PolarHBondContact O-N 3.14Å; A190-E192 PolarHBondContact O-N 3.4Å; A190-A193 PolarHBondContact O-N 3.29Å; A190-E194 WeakPolarHBondContact O-CG 3.44Å; A190-E194 PolarHBondContact O-N 3.36Å
191S96.4Very high91.8Very high74 Ų7495 Ų9552%0.51752%0.515SS..Hα-helixtrans-66.9-35.9-178.9-156.30000112.4A187 L188 E194 Y195A187-S191 WeakPolarHBondContact O-CB 3.42Å; A187-S191 PolarHBondContact O-N 2.83Å; L188-S191 PolarHBondContact O-N 3.27Å; S191-E194 PolarHBondContact O-N 2.66Å; S191-Y195 WeakPolarHBondContact O-CB 3.35Å; S191-Y195 PolarHBondContact O-N 3Å
192E96.4Very high90.7Very high122 Ų12293.5 Ų93.557%0.5751%0.512SS*.Hα-helixtrans-64.1-44.5171.5-163.6-170.5110.300111.5L188 A190 E194 Y195 Q196L188-E192 PolarHBondContact O-N 3.06Å; A190-E192 PolarHBondContact O-N 3.4Å; E192-E194 VanDerWaalsContact C-N 3.31Å; E192-E194 PolarHBondContact O-N 3.11Å; E192-Y195 PolarHBondContact O-N 3.36Å; E192-Q196 HydrophobicContact CG-CG 4.47Å; E192-Q196 WeakPolarHBondContact O-CB 3.4Å; E192-Q196 WeakPolarHBondContact O-CG 3.26Å; E192-Q196 PolarHBondContact O-N 3.45Å; E192-Q196 PolarHBondContact OE1-NE2 2.85Å
193A93.5Very high89.3Confident44 Ų4498.2 Ų98.236%0.36452%0.524SS..Hα-helixtrans-62.8-36.1177.700000112.7S189 A190 R197S189-A193 WeakPolarHBondContact O-CB 3.5Å; S189-A193 PolarHBondContact O-N 3.47Å; S189-A193 VanDerWaalsContact O-N 3.11Å; A190-A193 PolarHBondContact O-N 3.29Å; A193-R197 WeakPolarHBondContact O-CB 3.19Å; A193-R197 VanDerWaalsContact O-CG 3.25Å; A193-R197 WeakPolarHBondContact O-CG 3.4Å; A193-R197 PolarHBondContact O-N 2.94Å
194E94Very high87.8Confident115 Ų115100.1 Ų100.154%0.53753%0.533SS..Hα-helixtrans-67.2-43.8172-71.3-172.9144.900112.2A190 S191 E192 R197 Q198A190-E194 WeakPolarHBondContact O-CG 3.44Å; A190-E194 PolarHBondContact O-N 3.36Å; S191-E194 PolarHBondContact O-N 2.66Å; E192-E194 VanDerWaalsContact C-N 3.31Å; E192-E194 PolarHBondContact O-N 3.11Å; E194-R197 WeakPolarHBondContact O-CB 3.41Å; E194-R197 PolarHBondContact O-N 3.04Å; E194-Q198 WeakPolarHBondContact O-CG 3.48Å; E194-Q198 PolarHBondContact O-N 3.48Å
195Y92.6Very high86.1Confident137 Ų13799.5 Ų99.554%0.53754%0.537SS..Hα-helixtrans-62.5-43.2176.3-179.5-102.6000112.2S191 E192 R197 Q198 Q199S191-Y195 WeakPolarHBondContact O-CB 3.35Å; S191-Y195 PolarHBondContact O-N 3Å; E192-Y195 PolarHBondContact O-N 3.36Å; Y195-R197 VanDerWaalsContact C-N 3.34Å; Y195-R197 PolarHBondContact O-N 2.87Å; Y195-Q198 PolarHBondContact O-N 3.49Å; Y195-Q199 HydrophobicContact CE1-CG 4.11Å; Y195-Q199 PolarHBondContact O-N 3.48Å; Y195-Q199 PolarHBondContact OH-NE2 3.18Å
196Q91.6Very high84.5Confident109 Ų109104.7 Ų104.751%0.50955%0.551SS.*Hα-helixtrans-61.1-41173.3-70.8-174.524.200111.7E192 Q199 A200E192-Q196 HydrophobicContact CG-CG 4.47Å; E192-Q196 WeakPolarHBondContact O-CB 3.4Å; E192-Q196 WeakPolarHBondContact O-CG 3.26Å; E192-Q196 PolarHBondContact O-N 3.45Å; E192-Q196 PolarHBondContact OE1-NE2 2.85Å; Q196-Q199 PolarHBondContact O-N 3.31Å; Q196-A200 WeakPolarHBondContact O-CB 3.42Å; Q196-A200 PolarHBondContact O-N 3.43Å
197R90.7Very high82.4Confident175 Ų175104 Ų10466%0.6656%0.558SS**Hα-helixtrans-62.9-41174.3-76.7170176.5-171.20.2112.1A193 E194 Y195 A200 Q201A193-R197 WeakPolarHBondContact O-CB 3.19Å; A193-R197 VanDerWaalsContact O-CG 3.25Å; A193-R197 WeakPolarHBondContact O-CG 3.4Å; A193-R197 PolarHBondContact O-N 2.94Å; E194-R197 WeakPolarHBondContact O-CB 3.41Å; E194-R197 PolarHBondContact O-N 3.04Å; Y195-R197 VanDerWaalsContact C-N 3.34Å; Y195-R197 PolarHBondContact O-N 2.87Å; R197-A200 PolarHBondContact O-N 3.29Å; R197-Q201 WeakPolarHBondContact O-CB 3.46Å; R197-Q201 WeakPolarHBondContact O-CG 3.36Å; R197-Q201 PolarHBondContact O-N 2.86Å
198Q87.1Confident80.8Confident117 Ų117107.2 Ų107.255%0.54758%0.577SS.*Hα-helixtrans-66.3-38175.1-68.9175.440.900112.1E194 Y195 S202E194-Q198 WeakPolarHBondContact O-CG 3.48Å; E194-Q198 PolarHBondContact O-N 3.48Å; Y195-Q198 PolarHBondContact O-N 3.49Å; Q198-S202 WeakPolarHBondContact O-CB 3.36Å; Q198-S202 PolarHBondContact O-N 2.94Å; Q198-S202 PolarHBondContact O-OG 2.92Å
199Q84.8Confident79Confident77 Ų77108 Ų10836%0.3658%0.582SS.*Hα-helixtrans-63.8-42.3170.6-76.7-152.313.400112.4Y195 Q196 S202 R203Y195-Q199 HydrophobicContact CE1-CG 4.11Å; Y195-Q199 PolarHBondContact O-N 3.48Å; Y195-Q199 PolarHBondContact OH-NE2 3.18Å; Q196-Q199 PolarHBondContact O-N 3.31Å; Q199-S202 WeakPolarHBondContact CA-OG 3.46Å; Q199-S202 PolarHBondContact O-OG 3.45Å; Q199-R203 WeakPolarHBondContact O-CB 3.25Å; Q199-R203 VanDerWaalsContact O-CG 3.28Å; Q199-R203 WeakPolarHBondContact O-CG 3.39Å; Q199-R203 PolarHBondContact O-N 3.39Å
200A82Confident77.3Confident59 Ų59109.4 Ų109.449%0.48859%0.59SS.*Hα-helixtrans-64.3-44.9177.200000111.6Q196 R197 R203 S204Q196-A200 WeakPolarHBondContact O-CB 3.42Å; Q196-A200 PolarHBondContact O-N 3.43Å; R197-A200 PolarHBondContact O-N 3.29Å; A200-R203 PolarHBondContact O-N 3.03Å; A200-S204 PolarHBondContact O-N 2.7Å
201Q76.7Confident75.6Confident125 Ų125111.3 Ų111.358%0.58460%0.6SS**Hα-helixtrans-62.6-48.7176.9-74.9176.5-3.800111.7R197 R203 S204 S205R197-Q201 WeakPolarHBondContact O-CB 3.46Å; R197-Q201 WeakPolarHBondContact O-CG 3.36Å; R197-Q201 PolarHBondContact O-N 2.86Å; Q201-R203 VanDerWaalsContact C-N 3.27Å; Q201-R203 PolarHBondContact O-N 2.82Å; Q201-S204 WeakPolarHBondContact CA-OG 3.3Å; Q201-S204 CarbonylContact O-C 3.54Å; Q201-S204 WeakPolarHBondContact O-CA 3.31Å; Q201-S204 PolarHBondContact O-N 2.74Å; Q201-S204 PolarHBondContact O-OG 3.21Å; Q201-S205 WeakPolarHBondContact O-CB 3.44Å; Q201-S205 PolarHBondContact O-N 3.5Å; Q201-S205 PolarHBondContact O-OG 3.11Å
202S67.9Low73.5Confident64 Ų64115.1 Ų115.145%0.44861%0.614SS.*Hα-helixtrans-68.9-19.317857.80000114.5Q198 Q199Q198-S202 WeakPolarHBondContact O-CB 3.36Å; Q198-S202 PolarHBondContact O-N 2.94Å; Q198-S202 PolarHBondContact O-OG 2.92Å; Q199-S202 WeakPolarHBondContact CA-OG 3.46Å; Q199-S202 PolarHBondContact O-OG 3.45Å
203R63.5Low71Confident192 Ų192119 Ų11973%0.72565%0.652SS**Hα-helixtrans-74-40.5164.3-77.3176.3176.4-154.10.3111.9Q199 A200 Q201Q199-R203 WeakPolarHBondContact O-CB 3.25Å; Q199-R203 VanDerWaalsContact O-CG 3.28Å; Q199-R203 WeakPolarHBondContact O-CG 3.39Å; Q199-R203 PolarHBondContact O-N 3.39Å; A200-R203 PolarHBondContact O-N 3.03Å; Q201-R203 VanDerWaalsContact C-N 3.27Å; Q201-R203 PolarHBondContact O-N 2.82Å
204S60.2Low69.9Low95 Ų95122.7 Ų122.766%0.66467%0.666SS**Hα-helixtrans-76.3-27.9-18073.10000114.4A200 Q201 K206A200-S204 PolarHBondContact O-N 2.7Å; Q201-S204 WeakPolarHBondContact CA-OG 3.3Å; Q201-S204 CarbonylContact O-C 3.54Å; Q201-S204 WeakPolarHBondContact O-CA 3.31Å; Q201-S204 PolarHBondContact O-N 2.74Å; Q201-S204 PolarHBondContact O-OG 3.21Å; S204-K206 VanDerWaalsContact C-N 3.27Å; S204-K206 PolarHBondContact O-N 3.46Å
205S59.3Low68.6Low88 Ų88123.1 Ų123.162%0.61567%0.673SS**THydrogen-bonded Turntrans-86.814.4-173.374.10000114.1Q201 P207Q201-S205 WeakPolarHBondContact O-CB 3.44Å; Q201-S205 PolarHBondContact O-N 3.5Å; Q201-S205 PolarHBondContact O-OG 3.11Å; S205-P207 WeakPolarHBondContact O-CD 3.42Å
206K59.3Low67.2Low160 Ų160122.3 Ų122.370%0.69668%0.681SS**SBendtrans-86.3109172.4-69.9-175.9178.6-175.60108.6S204 S208S204-K206 VanDerWaalsContact C-N 3.27Å; S204-K206 PolarHBondContact O-N 3.46Å; K206-S208 PolarHBondContact O-N 3.17Å
207P52.2Low65.8Low121 Ų121123.1 Ų123.179%0.78669%0.691SS**  trans-67.3118.2-178.327.4-33.8000110.2S205 N209S205-P207 WeakPolarHBondContact O-CD 3.42Å; P207-N209 PolarHBondContact O-N 3.29Å
208S63Low64.3Low127 Ų127119.9 Ų119.989%0.88869%0.693SS**  trans-76.568.9173.159.80000110.6K206K206-S208 PolarHBondContact O-N 3.17Å
209N56.3Low62.7Low131 Ų131120.1 Ų120.170%0.70170%0.703SS**  trans-118.291174.2-163.1-3.8000110.8P207P207-N209 PolarHBondContact O-N 3.29Å
210C60.6Low61.2Low111 Ų111123.1 Ų123.175%0.7573%0.727SS**  trans-119.471.3167.3-170.50000107.9L212C210-L212 PolarHBondContact O-N 3.29Å
211S59.2Low59.6Low94 Ų94128.1 Ų128.166%0.65775%0.745SS**  trans-74.5109169.2550000109.2
212L53.6Low58.1Low154 Ų154128.3 Ų128.381%0.80676%0.759SS**  trans-68.4134.4172.7-75.985.4000110.5C210C210-L212 PolarHBondContact O-N 3.29Å
213C42.5Very low57.2Low203 Ų203134.2 Ų134.2100%1.37279%0.787SS**  trans-141.80158.2-750000107.6

Retrieved 213 of 213 residues in 267.8 ms (Link to these results)