A0A077ZJ87_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJ87, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 196 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
1M35.7Very low61.2Low241 Ų24193.1 Ų93.1100%1.18747%0.47SS*.  0122.40-67.6177.3-160.400105.8
2E38.6Very low63Low91 Ų9192.8 Ų92.843%0.42547%0.466SS..  trans-72.6135.1-179.4-165.4168.1149.200109.5D6 R10E2-D6 HydrophobicContact CG-CB 3.73Å; E2-R10 IonicContact OE1-CZ 2.85Å; E2-R10 IonicContact OE1-NE 3.28Å; E2-R10 PolarHBondContact OE1-NE 3.07Å; E2-R10 IonicContact OE1-NH1 2.96Å; E2-R10 PolarHBondContact OE1-NH1 3.14Å; E2-R10 IonicContact OE1-NH2 3.12Å; E2-R10 PolarHBondContact OE1-NH2 2.74Å; E2-R10 VanDerWaalsContact OE1-NH2 3.12Å; E2-R10 IonicContact OE2-CZ 3.16Å; E2-R10 IonicContact OE2-NH1 2.66Å; E2-R10 PolarHBondContact OE2-NH1 3.39Å; E2-R10 IonicContact OE2-NH2 3.12Å; E2-R10 PolarHBondContact OE2-NH2 3.13Å; E2-R10 VanDerWaalsContact OE2-NH2 3.12Å
3T47.3Very low64.6Low73 Ų7398.1 Ų98.145%0.44849%0.488SS..  trans-79.1154179.471.30000110.2P5 D6 Y7T3-P5 VanDerWaalsContact C-N 3.33Å; T3-D6 WeakPolarHBondContact CB-OD2 3.5Å; T3-D6 PolarHBondContact N-OD2 3.48Å; T3-D6 VanDerWaalsContact N-OD2 3.13Å; T3-D6 WeakPolarHBondContact O-CB 3.28Å; T3-D6 PolarHBondContact O-N 2.81Å; T3-D6 PolarHBondContact OG1-OD2 2.73Å; T3-Y7 PolarHBondContact O-N 3.11Å; T3-Y7 VanDerWaalsContact O-N 3.08Å
4M51.2Low65.7Low74 Ų7495.4 Ų95.437%0.36548%0.476SS..Hα-helixtrans-53.3-42.5176.2-85.1-70.7-55.100113.4D6 Y7 C8 L41M4-D6 VanDerWaalsContact C-N 3.33Å; M4-D6 PolarHBondContact O-N 3.15Å; M4-Y7 WeakPolarHBondContact O-CB 3.48Å; M4-Y7 PolarHBondContact O-N 3.35Å; M4-C8 PolarHBondContact O-N 3.06Å; M4-C8 VanDerWaalsContact O-N 3.08Å; M4-L41 HydrophobicContact CE-CB 3.74Å; M4-L41 HydrophobicContact CE-CD2 3.74Å; M4-L41 HydrophobicContact CE-CG 4.21Å; M4-L41 HydrophobicContact SD-CD2 4.11Å
5P58.1Low66.6Low79 Ų7990.8 Ų90.851%0.51345%0.451SS..Hα-helixtrans-57.6-41.9172.2-26.434.4000113.5T3 Y7 C8 V9T3-P5 VanDerWaalsContact C-N 3.33Å; P5-Y7 VanDerWaalsContact C-N 3.31Å; P5-Y7 PolarHBondContact O-N 2.85Å; P5-C8 PolarHBondContact O-N 3.34Å; P5-V9 WeakPolarHBondContact O-CG2 3.4Å; P5-V9 PolarHBondContact O-N 3.41Å; P5-V9 VanDerWaalsContact O-N 3.08Å
6D66.5Low67.5Low81 Ų8190.6 Ų90.643%0.43345%0.452SS..Hα-helixtrans-63.4-39.1178.4-59.5-39.5000111.5E2 T3 M4 R10E2-D6 HydrophobicContact CG-CB 3.73Å; T3-D6 WeakPolarHBondContact CB-OD2 3.5Å; T3-D6 PolarHBondContact N-OD2 3.48Å; T3-D6 VanDerWaalsContact N-OD2 3.13Å; T3-D6 WeakPolarHBondContact O-CB 3.28Å; T3-D6 PolarHBondContact O-N 2.81Å; T3-D6 PolarHBondContact OG1-OD2 2.73Å; M4-D6 VanDerWaalsContact C-N 3.33Å; M4-D6 PolarHBondContact O-N 3.15Å; D6-R10 WeakPolarHBondContact O-CB 3.26Å; D6-R10 PolarHBondContact O-N 3.31Å
7Y62.6Low68.3Low55 Ų5589.7 Ų89.722%0.21646%0.456CS..Hα-helixtrans-62.5-49.5176.3173.4-91.6000111.5T3 M4 P5 V9 R10 F11 Y38 L41T3-Y7 PolarHBondContact O-N 3.11Å; T3-Y7 VanDerWaalsContact O-N 3.08Å; M4-Y7 WeakPolarHBondContact O-CB 3.48Å; M4-Y7 PolarHBondContact O-N 3.35Å; P5-Y7 VanDerWaalsContact C-N 3.31Å; P5-Y7 PolarHBondContact O-N 2.85Å; Y7-V9 PolarHBondContact O-N 2.96Å; Y7-R10 PolarHBondContact O-N 3.33Å; Y7-F11 AromaticContact CD2-CD2 3.38Å; Y7-F11 HydrophobicContact CD2-CD2 3.38Å; Y7-F11 AromaticContact CD2-CE2 3.51Å; Y7-F11 HydrophobicContact CD2-CE2 3.51Å; Y7-F11 HydrophobicContact CE1-CD2 4.49Å; Y7-F11 AromaticContact CE2-CD2 3.32Å; Y7-F11 HydrophobicContact CE2-CD2 3.32Å; Y7-F11 AromaticContact CE2-CE2 3.49Å; Y7-F11 HydrophobicContact CE2-CE2 3.49Å; Y7-F11 VanDerWaalsContact CE2-CE2 3.49Å; Y7-F11 HydrophobicContact CE2-CG 4.24Å; Y7-F11 HydrophobicContact CE2-CZ 4.49Å; Y7-F11 HydrophobicContact CG-CD2 4.01Å; Y7-F11 HydrophobicContact CG-CE2 4.48Å; Y7-F11 AromaticContact CZ-CD2 3.91Å; Y7-F11 VanDerWaalsContact O-CD2 3.32Å; Y7-F11 WeakPolarHBondContact O-CD2 3.17Å; Y7-F11 PolarHBondContact O-N 3.07Å; Y7-Y38 HydrophobicContact CE1-CD2 4.31Å; Y7-L41 HydrophobicContact CE1-CD1 3.93Å
8C72.9Confident68.6Low18 Ų1888.4 Ų88.412%0.12245%0.448CS..Hα-helixtrans-63.3-44.1-178.2-68.30000111.8M4 P5 R10 Q12 Y38 C42M4-C8 PolarHBondContact O-N 3.06Å; M4-C8 VanDerWaalsContact O-N 3.08Å; P5-C8 PolarHBondContact O-N 3.34Å; C8-R10 PolarHBondContact O-N 3.43Å; C8-Q12 WeakPolarHBondContact O-CB 3.39Å; C8-Q12 PolarHBondContact O-N 3.43Å; C8-Q12 VanDerWaalsContact O-N 3.08Å; C8-Y38 PolarHBondContact O-OH 2.7Å; C8-C42 WeakPolarHBondContact CA-SG 3.46Å; C8-C42 HydrophobicContact CB-CB 3.72Å; C8-C42 WeakPolarHBondContact CB-SG 3.37Å; C8-C42 WeakPolarHBondContact SG-CA 3Å; C8-C42 WeakPolarHBondContact SG-CB 3.35Å; C8-C42 CovalentContact SG-SG 2.04Å; C8-C42 PolarHBondContact SG-SG 3.43Å
9V80.9Confident68.8Low110 Ų11084.5 Ų84.567%0.66743%0.43SS*.Hα-helixtrans-61.8-44.8175.9173.20000111.1P5 Y7 F11P5-V9 WeakPolarHBondContact O-CG2 3.4Å; P5-V9 PolarHBondContact O-N 3.41Å; P5-V9 VanDerWaalsContact O-N 3.08Å; Y7-V9 PolarHBondContact O-N 2.96Å; V9-F11 PolarHBondContact O-N 2.04Å
10R77.3Confident68.7Low145 Ų14585.6 Ų85.655%0.54744%0.436SS..Hα-helixtrans-62.5-43.9-178-177.2179.5-64.5173.110.4112.7E2 D6 Y7 C8E2-R10 IonicContact OE1-CZ 2.85Å; E2-R10 IonicContact OE1-NE 3.28Å; E2-R10 PolarHBondContact OE1-NE 3.07Å; E2-R10 IonicContact OE1-NH1 2.96Å; E2-R10 PolarHBondContact OE1-NH1 3.14Å; E2-R10 IonicContact OE1-NH2 3.12Å; E2-R10 PolarHBondContact OE1-NH2 2.74Å; E2-R10 VanDerWaalsContact OE1-NH2 3.12Å; E2-R10 IonicContact OE2-CZ 3.16Å; E2-R10 IonicContact OE2-NH1 2.66Å; E2-R10 PolarHBondContact OE2-NH1 3.39Å; E2-R10 IonicContact OE2-NH2 3.12Å; E2-R10 PolarHBondContact OE2-NH2 3.13Å; E2-R10 VanDerWaalsContact OE2-NH2 3.12Å; D6-R10 WeakPolarHBondContact O-CB 3.26Å; D6-R10 PolarHBondContact O-N 3.31Å; Y7-R10 PolarHBondContact O-N 3.33Å; C8-R10 PolarHBondContact O-N 3.43Å
11F82.4Confident68.1Low57 Ų5783.3 Ų83.325%0.2544%0.435CS..Hα-helixtrans-975.9-172-71.7-70.1000113.7Y7 V9 Q13 D14 Y15 F34 Y38Y7-F11 AromaticContact CD2-CD2 3.38Å; Y7-F11 HydrophobicContact CD2-CD2 3.38Å; Y7-F11 AromaticContact CD2-CE2 3.51Å; Y7-F11 HydrophobicContact CD2-CE2 3.51Å; Y7-F11 HydrophobicContact CE1-CD2 4.49Å; Y7-F11 AromaticContact CE2-CD2 3.32Å; Y7-F11 HydrophobicContact CE2-CD2 3.32Å; Y7-F11 AromaticContact CE2-CE2 3.49Å; Y7-F11 HydrophobicContact CE2-CE2 3.49Å; Y7-F11 VanDerWaalsContact CE2-CE2 3.49Å; Y7-F11 HydrophobicContact CE2-CG 4.24Å; Y7-F11 HydrophobicContact CE2-CZ 4.49Å; Y7-F11 HydrophobicContact CG-CD2 4.01Å; Y7-F11 HydrophobicContact CG-CE2 4.48Å; Y7-F11 AromaticContact CZ-CD2 3.91Å; Y7-F11 VanDerWaalsContact O-CD2 3.32Å; Y7-F11 WeakPolarHBondContact O-CD2 3.17Å; Y7-F11 PolarHBondContact O-N 3.07Å; V9-F11 PolarHBondContact O-N 2.04Å; F11-Q13 PolarHBondContact O-N 3.11Å; F11-D14 WeakPolarHBondContact CD1-OD2 3.01Å; F11-D14 PolarHBondContact O-N 3.37Å; F11-Y15 PolarHBondContact O-N 3.4Å; F11-F34 HydrophobicContact CB-CE2 3.79Å; F11-F34 HydrophobicContact CB-CZ 3.84Å; F11-F34 AromaticContact CD1-CE2 3.82Å; F11-F34 HydrophobicContact CD1-CE2 3.82Å; F11-F34 HydrophobicContact CD1-CZ 4.29Å; F11-F34 AromaticContact CG-CE2 3.94Å; F11-F34 HydrophobicContact CG-CE2 3.94Å; F11-F34 HydrophobicContact CG-CZ 4.41Å; F11-Y38 VanDerWaalsContact C-CE2 3.47Å; F11-Y38 HydrophobicContact CB-CD2 3.89Å; F11-Y38 HydrophobicContact CB-CE2 3.83Å; F11-Y38 WeakPolarHBondContact O-CE2 3.34Å
12Q83.1Confident68.7Low90 Ų9081.1 Ų81.142%0.42143%0.427SS..Hα-helixtrans-60.1-45-179.4-170.5178.228.100112.6C8 Y15 L16 Y38C8-Q12 WeakPolarHBondContact O-CB 3.39Å; C8-Q12 PolarHBondContact O-N 3.43Å; C8-Q12 VanDerWaalsContact O-N 3.08Å; Q12-Y15 PolarHBondContact O-N 3Å; Q12-L16 HydrophobicContact CG-CD1 4.21Å; Q12-L16 WeakPolarHBondContact O-CG 3.43Å; Q12-L16 PolarHBondContact O-N 3.4Å; Q12-Y38 WeakPolarHBondContact CA-OH 3.24Å; Q12-Y38 WeakPolarHBondContact CB-OH 3.42Å
13Q82.6Confident69Low161 Ų16188.6 Ų88.675%0.75245%0.451SS*.Hα-helixtrans-65.3-41.5179.5-74.8-159.9-17.300112.1F11 Y15 L16 S17F11-Q13 PolarHBondContact O-N 3.11Å; Q13-Y15 VanDerWaalsContact C-N 3.28Å; Q13-Y15 PolarHBondContact O-N 3.44Å; Q13-L16 PolarHBondContact O-N 2.78Å; Q13-S17 WeakPolarHBondContact O-CB 3.34Å; Q13-S17 PolarHBondContact O-N 3.34Å; Q13-S17 PolarHBondContact O-OG 3.25Å
14D80.9Confident68.8Low60 Ų6087.3 Ų87.332%0.32145%0.445SS..Hα-helixtrans-62.9-37.2176.2-67.7-28.3000111.6F11 S17 H18 W31 F34F11-D14 WeakPolarHBondContact CD1-OD2 3.01Å; F11-D14 PolarHBondContact O-N 3.37Å; D14-S17 WeakPolarHBondContact CA-OG 3.47Å; D14-S17 PolarHBondContact O-OG 3.4Å; D14-S17 VanDerWaalsContact O-OG 3.11Å; D14-H18 VanDerWaalsContact O-CB 3.28Å; D14-H18 WeakPolarHBondContact O-CB 3.42Å; D14-H18 PolarHBondContact O-CD2 3.02Å; D14-H18 PolarHBondContact O-N 2.89Å; D14-W31 HydrophobicContact CB-CH2 4.11Å; D14-W31 HydrophobicContact CB-CZ3 4.08Å; D14-F34 HydrophobicContact CB-CE1 3.96Å; D14-F34 HydrophobicContact CB-CZ 3.71Å
15Y78.4Confident68.5Low27 Ų2793.5 Ų93.511%0.10648%0.475CS..Hα-helixtrans-66.1-45.1173.9178.8-90.7000111.9F11 Q12 Q13 S17 C19 D20 Y38 K43F11-Y15 PolarHBondContact O-N 3.4Å; Q12-Y15 PolarHBondContact O-N 3Å; Q13-Y15 VanDerWaalsContact C-N 3.28Å; Q13-Y15 PolarHBondContact O-N 3.44Å; Y15-S17 PolarHBondContact O-N 2.73Å; Y15-C19 HydrophobicContact CD1-CB 4.4Å; Y15-C19 HydrophobicContact CD2-CB 3.38Å; Y15-C19 WeakPolarHBondContact CD2-SG 3.16Å; Y15-C19 HydrophobicContact CE1-CB 4.34Å; Y15-C19 HydrophobicContact CE2-CB 3.38Å; Y15-C19 HydrophobicContact CG-CB 3.94Å; Y15-C19 VanDerWaalsContact O-CA 3.24Å; Y15-C19 WeakPolarHBondContact O-CA 3.49Å; Y15-C19 WeakPolarHBondContact O-CB 3.48Å; Y15-C19 PolarHBondContact O-N 3.17Å; Y15-D20 PolarHBondContact O-N 2.89Å; Y15-Y38 AromaticContact CD1-CD1 3.81Å; Y15-Y38 HydrophobicContact CD1-CD1 3.81Å; Y15-Y38 AromaticContact CD1-CE1 3.71Å; Y15-Y38 HydrophobicContact CD1-CE1 3.71Å; Y15-Y38 AromaticContact CD2-CD1 3.09Å; Y15-Y38 HydrophobicContact CD2-CD1 3.09Å; Y15-Y38 AromaticContact CD2-CE1 3.88Å; Y15-Y38 HydrophobicContact CD2-CE1 3.88Å; Y15-Y38 AromaticContact CD2-CG 3.52Å; Y15-Y38 HydrophobicContact CD2-CG 3.52Å; Y15-Y38 HydrophobicContact CE1-CD1 4.35Å; Y15-Y38 HydrophobicContact CE1-CE1 4.41Å; Y15-Y38 AromaticContact CE2-CD1 3.68Å; Y15-Y38 HydrophobicContact CE2-CD1 3.68Å; Y15-Y38 HydrophobicContact CE2-CE1 4.49Å; Y15-Y38 HydrophobicContact CE2-CG 4.35Å; Y15-Y38 AromaticContact CG-CD1 3.14Å; Y15-Y38 HydrophobicContact CG-CD1 3.14Å; Y15-Y38 HydrophobicContact CG-CD2 4.48Å; Y15-Y38 AromaticContact CG-CE1 3.41Å; Y15-Y38 HydrophobicContact CG-CE1 3.41Å; Y15-Y38 VanDerWaalsContact CG-CE1 3.41Å; Y15-Y38 AromaticContact CG-CG 3.76Å; Y15-Y38 HydrophobicContact CG-CG 3.76Å; Y15-K43 HydrophobicContact CE1-CD 4.02Å; Y15-K43 VanDerWaalsContact CE1-NZ 3.32Å; Y15-K43 VanDerWaalsContact OH-CD 3.31Å; Y15-K43 WeakPolarHBondContact OH-CD 3.27Å; Y15-K43 WeakPolarHBondContact OH-CE 3.36Å; Y15-K43 PolarHBondContact OH-NZ 2.96Å
16L82.3Confident68.1Low88 Ų8897.4 Ų97.446%0.46149%0.492SS..Hα-helixtrans-65.3-40.3179.1-68171.1000112Q12 Q13 D20Q12-L16 HydrophobicContact CG-CD1 4.21Å; Q12-L16 WeakPolarHBondContact O-CG 3.43Å; Q12-L16 PolarHBondContact O-N 3.4Å; Q13-L16 PolarHBondContact O-N 2.78Å; L16-D20 WeakPolarHBondContact O-CB 3.1Å
17S80.8Confident67.7Low75 Ų7596.2 Ų96.252%0.52448%0.481SS..Hα-helixtrans-74.1-40-178.960.70000113.1Q13 D14 Y15Q13-S17 WeakPolarHBondContact O-CB 3.34Å; Q13-S17 PolarHBondContact O-N 3.34Å; Q13-S17 PolarHBondContact O-OG 3.25Å; D14-S17 WeakPolarHBondContact CA-OG 3.47Å; D14-S17 PolarHBondContact O-OG 3.4Å; D14-S17 VanDerWaalsContact O-OG 3.11Å; Y15-S17 PolarHBondContact O-N 2.73Å
18H73.5Confident67.8Low67 Ų6796.1 Ų96.131%0.3149%0.489SS..Hα-helixtrans-106.8-14.8-171.6-63.7-72.8000114.2D14 R27 W31D14-H18 VanDerWaalsContact O-CB 3.28Å; D14-H18 WeakPolarHBondContact O-CB 3.42Å; D14-H18 PolarHBondContact O-CD2 3.02Å; D14-H18 PolarHBondContact O-N 2.89Å; H18-R27 VanDerWaalsContact O-CD 3.29Å; H18-R27 WeakPolarHBondContact O-CD 3.45Å; H18-R27 PolarHBondContact O-NE 3.5Å; H18-R27 PolarHBondContact O-NH1 3.24Å; H18-R27 PolarHBondContact O-NH2 2.97Å; H18-R27 VanDerWaalsContact O-NH2 3.08Å; H18-W31 HydrophobicContact CB-CD2 3.61Å; H18-W31 HydrophobicContact CB-CE3 3.3Å; H18-W31 HydrophobicContact CB-CG 4.29Å; H18-W31 HydrophobicContact CB-CH2 4.13Å; H18-W31 HydrophobicContact CB-CZ2 4.37Å; H18-W31 HydrophobicContact CB-CZ3 3.58Å; H18-W31 AromaticContact CD2-CE2 3.76Å; H18-W31 AromaticContact CD2-CE3 3.9Å; H18-W31 AromaticContact CD2-CH2 3Å; H18-W31 WeakPolarHBondContact CD2-CH2 3.38Å; H18-W31 AromaticContact CD2-CZ2 3.22Å; H18-W31 WeakPolarHBondContact CD2-CZ2 3.02Å; H18-W31 AromaticContact CD2-CZ3 3.36Å; H18-W31 WeakPolarHBondContact CD2-CZ3 3.21Å; H18-W31 AromaticContact CE1-CE2 3.83Å; H18-W31 AromaticContact CE1-CZ2 3.63Å; H18-W31 AromaticContact CG-CD2 3.62Å; H18-W31 AromaticContact CG-CE2 3.56Å; H18-W31 AromaticContact CG-CE3 3.59Å; H18-W31 AromaticContact CG-CH2 3.56Å; H18-W31 AromaticContact CG-CZ2 3.55Å; H18-W31 AromaticContact CG-CZ3 3.56Å; H18-W31 AromaticContact ND1-CD2 3.97Å; H18-W31 AromaticContact ND1-CE2 3.61Å; H18-W31 AromaticContact ND1-CZ2 3.79Å; H18-W31 AromaticContact ND1-NE1 3.89Å; H18-W31 AromaticContact NE2-CE2 3.94Å; H18-W31 AromaticContact NE2-CH2 3.52Å; H18-W31 AromaticContact NE2-CZ2 3.3Å; H18-W31 VanDerWaalsContact NE2-CZ2 3.3Å; H18-W31 WeakPolarHBondContact NE2-CZ2 3.43Å
19C72Confident67.1Low14 Ų14100.2 Ų100.210%0.09551%0.509CS..THydrogen-bonded Turntrans-111.2-34.1-175.4-520000113.7Y15 G21 R27 C35Y15-C19 HydrophobicContact CD1-CB 4.4Å; Y15-C19 HydrophobicContact CD2-CB 3.38Å; Y15-C19 WeakPolarHBondContact CD2-SG 3.16Å; Y15-C19 HydrophobicContact CE1-CB 4.34Å; Y15-C19 HydrophobicContact CE2-CB 3.38Å; Y15-C19 HydrophobicContact CG-CB 3.94Å; Y15-C19 VanDerWaalsContact O-CA 3.24Å; Y15-C19 WeakPolarHBondContact O-CA 3.49Å; Y15-C19 WeakPolarHBondContact O-CB 3.48Å; Y15-C19 PolarHBondContact O-N 3.17Å; C19-G21 PolarHBondContact O-N 2.96Å; C19-R27 VanDerWaalsContact CA-NH1 3.34Å; C19-R27 PolarHBondContact O-NH1 2.76Å; C19-R27 VanDerWaalsContact O-NH1 3.1Å; C19-R27 PolarHBondContact O-NH2 2.85Å; C19-R27 VanDerWaalsContact O-NH2 3.15Å; C19-C35 WeakPolarHBondContact CA-SG 3.36Å; C19-C35 HydrophobicContact CB-CB 3.59Å; C19-C35 WeakPolarHBondContact CB-SG 3.44Å; C19-C35 WeakPolarHBondContact SG-CA 3.02Å; C19-C35 WeakPolarHBondContact SG-CB 3.33Å; C19-C35 CovalentContact SG-SG 2.02Å; C19-C35 PolarHBondContact SG-SG 3.19Å
20D67.2Low65.8Low105 Ų105101.9 Ų101.956%0.56151%0.51SS*.SBendtrans-84.492.4-173.9-146.710.8000111.5Y15 L16Y15-D20 PolarHBondContact O-N 2.89Å; L16-D20 WeakPolarHBondContact O-CB 3.1Å
21G56.5Low65.2Low39 Ų3998.6 Ų98.640%0.40250%0.497SS..  trans158.5118.817900000112C19 R23 R27C19-G21 PolarHBondContact O-N 2.96Å; G21-R23 PolarHBondContact O-N 2.77Å; G21-R27 PolarHBondContact O-NH2 3.19Å; G21-R27 VanDerWaalsContact O-NH2 3.1Å
22L47.5Very low64.1Low195 Ų195100.7 Ų100.7100%1.02151%0.509SS*.THydrogen-bonded Turntrans-57.63.9171-88.5140.9000114.6
23R44.7Very low62.9Low247 Ų247102 Ų10293%0.93251%0.513SS*.THydrogen-bonded Turntrans-101.65.2-165.3-107.6-174.1167.5-166.8-4.4116.1G21 M25G21-R23 PolarHBondContact O-N 2.77Å; R23-M25 PolarHBondContact O-N 3.46Å
24S43.7Very low62.1Low46 Ų4696 Ų9632%0.32249%0.485SS..  trans-109.368.8-167.7-171.90000113.3D26 R27S24-D26 PolarHBondContact O-N 2.65Å; S24-R27 VanDerWaalsContact CB-CZ 3.49Å; S24-R27 VanDerWaalsContact OG-CB 3.26Å; S24-R27 WeakPolarHBondContact OG-CB 3.35Å; S24-R27 WeakPolarHBondContact OG-CD 3.41Å; S24-R27 WeakPolarHBondContact OG-CG 3.47Å; S24-R27 PolarHBondContact OG-N 3.12Å; S24-R27 PolarHBondContact OG-NE 3.34Å
25M43.7Very low61.4Low205 Ų20594 Ų94100%1.0148%0.475SS*.THydrogen-bonded Turntrans-67.6-3.5162.7-74.3-148.3155.100113.1R23R23-M25 PolarHBondContact O-N 3.46Å
26D50.5Low60.5Low160 Ų16095.1 Ų95.186%0.85649%0.487SS*.THydrogen-bonded Turntrans-119.944.4-178.7-154.29.1000111.9S24S24-D26 PolarHBondContact O-N 2.65Å
27R58.5Low59.3Low56 Ų5692.8 Ų92.821%0.21148%0.48CS..  trans-93.3126.9176.5-121.2173.8-110.1-178.1-9.6108.5H18 C19 G21 S24 W31 M32H18-R27 VanDerWaalsContact O-CD 3.29Å; H18-R27 WeakPolarHBondContact O-CD 3.45Å; H18-R27 PolarHBondContact O-NE 3.5Å; H18-R27 PolarHBondContact O-NH1 3.24Å; H18-R27 PolarHBondContact O-NH2 2.97Å; H18-R27 VanDerWaalsContact O-NH2 3.08Å; C19-R27 VanDerWaalsContact CA-NH1 3.34Å; C19-R27 PolarHBondContact O-NH1 2.76Å; C19-R27 VanDerWaalsContact O-NH1 3.1Å; C19-R27 PolarHBondContact O-NH2 2.85Å; C19-R27 VanDerWaalsContact O-NH2 3.15Å; G21-R27 PolarHBondContact O-NH2 3.19Å; G21-R27 VanDerWaalsContact O-NH2 3.1Å; S24-R27 VanDerWaalsContact CB-CZ 3.49Å; S24-R27 VanDerWaalsContact OG-CB 3.26Å; S24-R27 WeakPolarHBondContact OG-CB 3.35Å; S24-R27 WeakPolarHBondContact OG-CD 3.41Å; S24-R27 WeakPolarHBondContact OG-CG 3.47Å; S24-R27 PolarHBondContact OG-N 3.12Å; S24-R27 PolarHBondContact OG-NE 3.34Å; R27-W31 HydrophobicContact CB-CB 4.5Å; R27-W31 HydrophobicContact CG-CB 3.72Å; R27-M32 HydrophobicContact CB-CG 4.04Å
28S65.1Low58.7Low54 Ų5489.8 Ų89.838%0.37846%0.458SS..  trans-55.4149.6171.574.10000109.7E30 W31 M32S28-E30 PolarHBondContact O-N 3.31Å; S28-W31 PolarHBondContact O-N 3.39Å; S28-W31 VanDerWaalsContact OG-CD1 3.28Å; S28-W31 PolarHBondContact OG-N 3.13Å; S28-M32 PolarHBondContact O-N 3.39Å; S28-M32 VanDerWaalsContact O-N 3.11Å
29L56.9Low58.1Low104 Ų10487.5 Ų87.555%0.54545%0.452SS..Hα-helixtrans-51.9-29.8176.8179.362.8000112.3M32 K33L29-M32 HydrophobicContact CD1-CE 4.28Å; L29-K33 HydrophobicContact CG-CD 4.45Å; L29-K33 WeakPolarHBondContact O-CD 3.17Å; L29-K33 VanDerWaalsContact O-CG 3.24Å; L29-K33 WeakPolarHBondContact O-CG 3.42Å; L29-K33 PolarHBondContact O-N 2.02Å; L29-K33 VanDerWaalsContact O-N 3.16Å
30E54.8Low57.4Low145 Ų14588.9 Ų88.968%0.67846%0.46SS*.Hα-helixtrans-69-45.6177.3-60.8-174.4137.100112.5S28 M32 K33 F34S28-E30 PolarHBondContact O-N 3.31Å; E30-M32 PolarHBondContact O-N 2.88Å; E30-K33 WeakPolarHBondContact O-CB 3.44Å; E30-K33 PolarHBondContact O-N 2.83Å; E30-F34 WeakPolarHBondContact O-CB 3.3Å; E30-F34 PolarHBondContact O-N 2.85Å
31W64.6Low57Low75 Ų7586.6 Ų86.628%0.28445%0.448SS..Hα-helixtrans-66.1-37.3175.7-78.5119.1000112.2D14 H18 R27 S28 K33 F34 C35D14-W31 HydrophobicContact CB-CH2 4.11Å; D14-W31 HydrophobicContact CB-CZ3 4.08Å; H18-W31 HydrophobicContact CB-CD2 3.61Å; H18-W31 HydrophobicContact CB-CE3 3.3Å; H18-W31 HydrophobicContact CB-CG 4.29Å; H18-W31 HydrophobicContact CB-CH2 4.13Å; H18-W31 HydrophobicContact CB-CZ2 4.37Å; H18-W31 HydrophobicContact CB-CZ3 3.58Å; H18-W31 AromaticContact CD2-CE2 3.76Å; H18-W31 AromaticContact CD2-CE3 3.9Å; H18-W31 AromaticContact CD2-CH2 3Å; H18-W31 WeakPolarHBondContact CD2-CH2 3.38Å; H18-W31 AromaticContact CD2-CZ2 3.22Å; H18-W31 WeakPolarHBondContact CD2-CZ2 3.02Å; H18-W31 AromaticContact CD2-CZ3 3.36Å; H18-W31 WeakPolarHBondContact CD2-CZ3 3.21Å; H18-W31 AromaticContact CE1-CE2 3.83Å; H18-W31 AromaticContact CE1-CZ2 3.63Å; H18-W31 AromaticContact CG-CD2 3.62Å; H18-W31 AromaticContact CG-CE2 3.56Å; H18-W31 AromaticContact CG-CE3 3.59Å; H18-W31 AromaticContact CG-CH2 3.56Å; H18-W31 AromaticContact CG-CZ2 3.55Å; H18-W31 AromaticContact CG-CZ3 3.56Å; H18-W31 AromaticContact ND1-CD2 3.97Å; H18-W31 AromaticContact ND1-CE2 3.61Å; H18-W31 AromaticContact ND1-CZ2 3.79Å; H18-W31 AromaticContact ND1-NE1 3.89Å; H18-W31 AromaticContact NE2-CE2 3.94Å; H18-W31 AromaticContact NE2-CH2 3.52Å; H18-W31 AromaticContact NE2-CZ2 3.3Å; H18-W31 VanDerWaalsContact NE2-CZ2 3.3Å; H18-W31 WeakPolarHBondContact NE2-CZ2 3.43Å; R27-W31 HydrophobicContact CB-CB 4.5Å; R27-W31 HydrophobicContact CG-CB 3.72Å; S28-W31 PolarHBondContact O-N 3.39Å; S28-W31 VanDerWaalsContact OG-CD1 3.28Å; S28-W31 PolarHBondContact OG-N 3.13Å; W31-K33 VanDerWaalsContact C-N 3.33Å; W31-K33 PolarHBondContact O-N 3.3Å; W31-F34 HydrophobicContact CE3-CB 4.23Å; W31-F34 AromaticContact CE3-CD1 3.54Å; W31-F34 HydrophobicContact CE3-CD1 3.54Å; W31-F34 HydrophobicContact CE3-CE1 4.18Å; W31-F34 HydrophobicContact CE3-CG 4.09Å; W31-F34 AromaticContact CZ3-CD1 3.49Å; W31-F34 HydrophobicContact CZ3-CD1 3.49Å; W31-F34 VanDerWaalsContact CZ3-CD1 3.49Å; W31-F34 AromaticContact CZ3-CE1 3.7Å; W31-F34 HydrophobicContact CZ3-CE1 3.7Å; W31-F34 HydrophobicContact CZ3-CG 4.05Å; W31-F34 HydrophobicContact CZ3-CZ 4.44Å; W31-F34 PolarHBondContact O-N 2.88Å; W31-C35 WeakPolarHBondContact O-CB 3Å; W31-C35 PolarHBondContact O-N 3.38Å; W31-C35 PolarHBondContact O-SG 3.46Å
32M59.3Low57.5Low102 Ų10285 Ų8550%0.50243%0.43SS..Hα-helixtrans-59.9-43.8173.4-70.7-168.4-81.900112.1R27 S28 L29 E30 S36R27-M32 HydrophobicContact CB-CG 4.04Å; S28-M32 PolarHBondContact O-N 3.39Å; S28-M32 VanDerWaalsContact O-N 3.11Å; L29-M32 HydrophobicContact CD1-CE 4.28Å; E30-M32 PolarHBondContact O-N 2.88Å; M32-S36 WeakPolarHBondContact O-CB 3.3Å; M32-S36 PolarHBondContact O-N 3.24Å; M32-S36 VanDerWaalsContact O-N 3.09Å
33K56.8Low58.4Low118 Ų11879 Ų7951%0.51340%0.396SS..Hα-helixtrans-61.4-47.4175.4-72.1163.7179.8168.80111.3L29 E30 W31 S36 A37L29-K33 HydrophobicContact CG-CD 4.45Å; L29-K33 WeakPolarHBondContact O-CD 3.17Å; L29-K33 VanDerWaalsContact O-CG 3.24Å; L29-K33 WeakPolarHBondContact O-CG 3.42Å; L29-K33 PolarHBondContact O-N 2.02Å; L29-K33 VanDerWaalsContact O-N 3.16Å; E30-K33 WeakPolarHBondContact O-CB 3.44Å; E30-K33 PolarHBondContact O-N 2.83Å; W31-K33 VanDerWaalsContact C-N 3.33Å; W31-K33 PolarHBondContact O-N 3.3Å; K33-S36 PolarHBondContact O-N 3.39Å; K33-A37 WeakPolarHBondContact O-CB 3.33Å; K33-A37 PolarHBondContact O-N 3.08Å
34F67.1Low58.8Low33 Ų3369.7 Ų69.715%0.14537%0.365CS..Hα-helixtrans-60.5-49.8178.9170.9-97.3000111.8F11 D14 E30 W31 S36 A37 Y38F11-F34 HydrophobicContact CB-CE2 3.79Å; F11-F34 HydrophobicContact CB-CZ 3.84Å; F11-F34 AromaticContact CD1-CE2 3.82Å; F11-F34 HydrophobicContact CD1-CE2 3.82Å; F11-F34 HydrophobicContact CD1-CZ 4.29Å; F11-F34 AromaticContact CG-CE2 3.94Å; F11-F34 HydrophobicContact CG-CE2 3.94Å; F11-F34 HydrophobicContact CG-CZ 4.41Å; D14-F34 HydrophobicContact CB-CE1 3.96Å; D14-F34 HydrophobicContact CB-CZ 3.71Å; E30-F34 WeakPolarHBondContact O-CB 3.3Å; E30-F34 PolarHBondContact O-N 2.85Å; W31-F34 HydrophobicContact CE3-CB 4.23Å; W31-F34 AromaticContact CE3-CD1 3.54Å; W31-F34 HydrophobicContact CE3-CD1 3.54Å; W31-F34 HydrophobicContact CE3-CE1 4.18Å; W31-F34 HydrophobicContact CE3-CG 4.09Å; W31-F34 AromaticContact CZ3-CD1 3.49Å; W31-F34 HydrophobicContact CZ3-CD1 3.49Å; W31-F34 VanDerWaalsContact CZ3-CD1 3.49Å; W31-F34 AromaticContact CZ3-CE1 3.7Å; W31-F34 HydrophobicContact CZ3-CE1 3.7Å; W31-F34 HydrophobicContact CZ3-CG 4.05Å; W31-F34 HydrophobicContact CZ3-CZ 4.44Å; W31-F34 PolarHBondContact O-N 2.88Å; F34-S36 VanDerWaalsContact C-N 3.31Å; F34-S36 PolarHBondContact O-N 2.98Å; F34-A37 PolarHBondContact O-N 2.98Å; F34-A37 VanDerWaalsContact O-N 3.16Å; F34-Y38 HydrophobicContact CE2-CD2 4.4Å; F34-Y38 HydrophobicContact CZ-CD2 4.09Å; F34-Y38 HydrophobicContact CZ-CG 4.48Å; F34-Y38 WeakPolarHBondContact O-CB 3.21Å; F34-Y38 PolarHBondContact O-N 2.93Å
35C65.8Low59.2Low18 Ų1869 Ų6912%0.12236%0.356CS..Hα-helixtrans-60.2-40.9179.9-62.90000112.8C19 W31 G39C19-C35 WeakPolarHBondContact CA-SG 3.36Å; C19-C35 HydrophobicContact CB-CB 3.59Å; C19-C35 WeakPolarHBondContact CB-SG 3.44Å; C19-C35 WeakPolarHBondContact SG-CA 3.02Å; C19-C35 WeakPolarHBondContact SG-CB 3.33Å; C19-C35 CovalentContact SG-SG 2.02Å; C19-C35 PolarHBondContact SG-SG 3.19Å; W31-C35 WeakPolarHBondContact O-CB 3Å; W31-C35 PolarHBondContact O-N 3.38Å; W31-C35 PolarHBondContact O-SG 3.46Å; C35-G39 PolarHBondContact O-N 2.88Å
36S58.8Low59.7Low51 Ų5164 Ų6436%0.35733%0.33SS..Hα-helixtrans-66.3-43.8176.1-173.80000111.7M32 K33 F34 V40 A160M32-S36 WeakPolarHBondContact O-CB 3.3Å; M32-S36 PolarHBondContact O-N 3.24Å; M32-S36 VanDerWaalsContact O-N 3.09Å; K33-S36 PolarHBondContact O-N 3.39Å; F34-S36 VanDerWaalsContact C-N 3.31Å; F34-S36 PolarHBondContact O-N 2.98Å; S36-V40 WeakPolarHBondContact O-CG2 3.38Å; S36-V40 PolarHBondContact O-N 2.97Å; S36-A160 WeakPolarHBondContact OG-CB 3.26Å
37A58.2Low59.8Low39 Ų3961.9 Ų61.932%0.32232%0.315SS..Hα-helixtrans-66.7-50.7-18000000111.3K33 F34 G39 V40 L41K33-A37 WeakPolarHBondContact O-CB 3.33Å; K33-A37 PolarHBondContact O-N 3.08Å; F34-A37 PolarHBondContact O-N 2.98Å; F34-A37 VanDerWaalsContact O-N 3.16Å; A37-G39 VanDerWaalsContact C-N 3.33Å; A37-G39 PolarHBondContact O-N 3.31Å; A37-V40 PolarHBondContact O-N 3.36Å; A37-L41 HydrophobicContact CB-CD1 4.43Å; A37-L41 VanDerWaalsContact O-CB 3.3Å; A37-L41 WeakPolarHBondContact O-CB 3.19Å; A37-L41 WeakPolarHBondContact O-CG 3.42Å; A37-L41 PolarHBondContact O-N 3.47Å
38Y66.6Low59.4Low12 Ų1260 Ų605%0.04731%0.31CS..Hα-helixtrans-61-40.1178.7-172.1-76.4000112.1Y7 C8 F11 Q12 Y15 F34 V40 L41 C42Y7-Y38 HydrophobicContact CE1-CD2 4.31Å; C8-Y38 PolarHBondContact O-OH 2.7Å; F11-Y38 VanDerWaalsContact C-CE2 3.47Å; F11-Y38 HydrophobicContact CB-CD2 3.89Å; F11-Y38 HydrophobicContact CB-CE2 3.83Å; F11-Y38 WeakPolarHBondContact O-CE2 3.34Å; Q12-Y38 WeakPolarHBondContact CA-OH 3.24Å; Q12-Y38 WeakPolarHBondContact CB-OH 3.42Å; Y15-Y38 AromaticContact CD1-CD1 3.81Å; Y15-Y38 HydrophobicContact CD1-CD1 3.81Å; Y15-Y38 AromaticContact CD1-CE1 3.71Å; Y15-Y38 HydrophobicContact CD1-CE1 3.71Å; Y15-Y38 AromaticContact CD2-CD1 3.09Å; Y15-Y38 HydrophobicContact CD2-CD1 3.09Å; Y15-Y38 AromaticContact CD2-CE1 3.88Å; Y15-Y38 HydrophobicContact CD2-CE1 3.88Å; Y15-Y38 AromaticContact CD2-CG 3.52Å; Y15-Y38 HydrophobicContact CD2-CG 3.52Å; Y15-Y38 HydrophobicContact CE1-CD1 4.35Å; Y15-Y38 HydrophobicContact CE1-CE1 4.41Å; Y15-Y38 AromaticContact CE2-CD1 3.68Å; Y15-Y38 HydrophobicContact CE2-CD1 3.68Å; Y15-Y38 HydrophobicContact CE2-CE1 4.49Å; Y15-Y38 HydrophobicContact CE2-CG 4.35Å; Y15-Y38 AromaticContact CG-CD1 3.14Å; Y15-Y38 HydrophobicContact CG-CD1 3.14Å; Y15-Y38 HydrophobicContact CG-CD2 4.48Å; Y15-Y38 AromaticContact CG-CE1 3.41Å; Y15-Y38 HydrophobicContact CG-CE1 3.41Å; Y15-Y38 VanDerWaalsContact CG-CE1 3.41Å; Y15-Y38 AromaticContact CG-CG 3.76Å; Y15-Y38 HydrophobicContact CG-CG 3.76Å; F34-Y38 HydrophobicContact CE2-CD2 4.4Å; F34-Y38 HydrophobicContact CZ-CD2 4.09Å; F34-Y38 HydrophobicContact CZ-CG 4.48Å; F34-Y38 WeakPolarHBondContact O-CB 3.21Å; F34-Y38 PolarHBondContact O-N 2.93Å; Y38-V40 VanDerWaalsContact C-N 3.32Å; Y38-V40 PolarHBondContact O-N 2.99Å; Y38-L41 PolarHBondContact O-N 3.12Å; Y38-C42 HydrophobicContact CD1-CB 3.87Å; Y38-C42 HydrophobicContact CD2-CB 4.39Å; Y38-C42 HydrophobicContact CE1-CB 3.53Å; Y38-C42 HydrophobicContact CE2-CB 4.08Å; Y38-C42 HydrophobicContact CG-CB 4.28Å; Y38-C42 WeakPolarHBondContact O-CA 3.31Å; Y38-C42 VanDerWaalsContact O-CB 3.31Å; Y38-C42 WeakPolarHBondContact O-CB 3.11Å; Y38-C42 PolarHBondContact O-N 3.09Å
39G62.1Low58.7Low19 Ų1963.5 Ų63.520%0.19632%0.321CS..Iπ-helixtrans-60.6-40.5176.800000113.1C35 A37 K43 L44C35-G39 PolarHBondContact O-N 2.88Å; A37-G39 VanDerWaalsContact C-N 3.33Å; A37-G39 PolarHBondContact O-N 3.31Å; G39-K43 WeakPolarHBondContact O-CB 2.91Å; G39-K43 PolarHBondContact O-N 3.36Å; G39-L44 PolarHBondContact O-N 3.28Å; G39-L44 VanDerWaalsContact O-N 3.13Å
40V57.7Low58.5Low44 Ų4465.4 Ų65.427%0.26733%0.327SS..Iπ-helixtrans-74-42.6177.1172.60000111.5S36 A37 Y38 L44 F156S36-V40 WeakPolarHBondContact O-CG2 3.38Å; S36-V40 PolarHBondContact O-N 2.97Å; A37-V40 PolarHBondContact O-N 3.36Å; Y38-V40 VanDerWaalsContact C-N 3.32Å; Y38-V40 PolarHBondContact O-N 2.99Å; V40-L44 WeakPolarHBondContact O-CB 3.42Å; V40-F156 HydrophobicContact CG1-CB 3.59Å; V40-F156 HydrophobicContact CG1-CG 4.31Å; V40-F156 HydrophobicContact CG2-CB 4.14Å
41L58.7Low58.2Low56 Ų5659.3 Ų59.329%0.29330%0.3SS..Iπ-helixtrans-75.9-40.6-174.1-69.1172.6000112.3M4 Y7 A37 Y38 E45M4-L41 HydrophobicContact CE-CB 3.74Å; M4-L41 HydrophobicContact CE-CD2 3.74Å; M4-L41 HydrophobicContact CE-CG 4.21Å; M4-L41 HydrophobicContact SD-CD2 4.11Å; Y7-L41 HydrophobicContact CE1-CD1 3.93Å; A37-L41 HydrophobicContact CB-CD1 4.43Å; A37-L41 VanDerWaalsContact O-CB 3.3Å; A37-L41 WeakPolarHBondContact O-CB 3.19Å; A37-L41 WeakPolarHBondContact O-CG 3.42Å; A37-L41 PolarHBondContact O-N 3.47Å; Y38-L41 PolarHBondContact O-N 3.12Å; L41-E45 WeakPolarHBondContact O-CB 3.16Å; L41-E45 VanDerWaalsContact O-OE2 3.05Å
42C67.1Low57.5Low6 Ų662.3 Ų62.34%0.04132%0.317CS..Iπ-helixtrans-111.6-45.8-168.4-55.50000112.9C8 Y38 E45 E46C8-C42 WeakPolarHBondContact CA-SG 3.46Å; C8-C42 HydrophobicContact CB-CB 3.72Å; C8-C42 WeakPolarHBondContact CB-SG 3.37Å; C8-C42 WeakPolarHBondContact SG-CA 3Å; C8-C42 WeakPolarHBondContact SG-CB 3.35Å; C8-C42 CovalentContact SG-SG 2.04Å; C8-C42 PolarHBondContact SG-SG 3.43Å; Y38-C42 HydrophobicContact CD1-CB 3.87Å; Y38-C42 HydrophobicContact CD2-CB 4.39Å; Y38-C42 HydrophobicContact CE1-CB 3.53Å; Y38-C42 HydrophobicContact CE2-CB 4.08Å; Y38-C42 HydrophobicContact CG-CB 4.28Å; Y38-C42 WeakPolarHBondContact O-CA 3.31Å; Y38-C42 VanDerWaalsContact O-CB 3.31Å; Y38-C42 WeakPolarHBondContact O-CB 3.11Å; Y38-C42 PolarHBondContact O-N 3.09Å; C42-E45 PolarHBondContact O-N 3.1Å; C42-E46 VanDerWaalsContact O-CB 3.25Å; C42-E46 WeakPolarHBondContact O-CB 3.39Å; C42-E46 PolarHBondContact O-N 2.02Å
43K65Low57Low70 Ų7061.8 Ų61.830%0.30432%0.322SS..Iπ-helixtrans-72.2-41.7-179.5-81.2-169.3166.61750113Y15 G39 E45 E46 Q47Y15-K43 HydrophobicContact CE1-CD 4.02Å; Y15-K43 VanDerWaalsContact CE1-NZ 3.32Å; Y15-K43 VanDerWaalsContact OH-CD 3.31Å; Y15-K43 WeakPolarHBondContact OH-CD 3.27Å; Y15-K43 WeakPolarHBondContact OH-CE 3.36Å; Y15-K43 PolarHBondContact OH-NZ 2.96Å; G39-K43 WeakPolarHBondContact O-CB 2.91Å; G39-K43 PolarHBondContact O-N 3.36Å; K43-E45 VanDerWaalsContact C-N 3.26Å; K43-E45 PolarHBondContact O-N 2.8Å; K43-E46 PolarHBondContact O-N 3.48Å; K43-Q47 WeakPolarHBondContact O-CB 3.45Å; K43-Q47 VanDerWaalsContact O-CG 3.26Å; K43-Q47 WeakPolarHBondContact O-CG 3.24Å; K43-Q47 PolarHBondContact O-N 2.89Å
44L54.6Low56.7Low51 Ų5163.3 Ų63.327%0.26734%0.335SS..Hα-helixtrans-67.5-32177.2-15280000111.1G39 V40 C48 F156G39-L44 PolarHBondContact O-N 3.28Å; G39-L44 VanDerWaalsContact O-N 3.13Å; V40-L44 WeakPolarHBondContact O-CB 3.42Å; L44-C48 WeakPolarHBondContact O-CB 3.42Å; L44-C48 PolarHBondContact O-N 3.45Å; L44-C48 PolarHBondContact O-SG 2.8Å; L44-F156 HydrophobicContact CD2-CE2 4.42Å; L44-F156 HydrophobicContact CD2-CZ 4.47Å
45E51.2Low55.5Low32 Ų3263.5 Ų63.515%0.1534%0.343CS..Hα-helixtrans-75.1-39.5177.2-163.9168.6-145.400112L41 C42 K43 C48 Q49 L69L41-E45 WeakPolarHBondContact O-CB 3.16Å; L41-E45 VanDerWaalsContact O-OE2 3.05Å; C42-E45 PolarHBondContact O-N 3.1Å; K43-E45 VanDerWaalsContact C-N 3.26Å; K43-E45 PolarHBondContact O-N 2.8Å; E45-C48 CarbonylContact O-C 3.42Å; E45-C48 WeakPolarHBondContact O-CA 3.36Å; E45-C48 VanDerWaalsContact O-CB 3.32Å; E45-C48 WeakPolarHBondContact O-CB 3.33Å; E45-C48 PolarHBondContact O-N 3.16Å; E45-C48 VanDerWaalsContact O-N 3.13Å; E45-Q49 PolarHBondContact O-N 2.74Å; E45-L69 HydrophobicContact CG-CD1 3.39Å; E45-L69 HydrophobicContact CG-CG 4.21Å; E45-L69 VanDerWaalsContact OE1-CD1 3.3Å; E45-L69 WeakPolarHBondContact OE1-CD1 3.34Å; E45-L69 WeakPolarHBondContact OE1-CG 3.45Å
46E54.8Low54.5Low98 Ų9864.4 Ų64.446%0.45835%0.349SS..Hα-helixtrans-66.5-41.8175-172.2175.7-159.300112.4C42 K43 C48 Q49 Q50C42-E46 VanDerWaalsContact O-CB 3.25Å; C42-E46 WeakPolarHBondContact O-CB 3.39Å; C42-E46 PolarHBondContact O-N 2.02Å; K43-E46 PolarHBondContact O-N 3.48Å; E46-C48 PolarHBondContact O-N 2.98Å; E46-Q49 PolarHBondContact O-N 3.38Å; E46-Q50 PolarHBondContact O-N 3.33Å
47Q51.5Low53.7Low117 Ų11771 Ų7155%0.54738%0.375SS..Hα-helixtrans-58.9-28.6171.5-76.3174.9-0.900112.1K43K43-Q47 WeakPolarHBondContact O-CB 3.45Å; K43-Q47 VanDerWaalsContact O-CG 3.26Å; K43-Q47 WeakPolarHBondContact O-CG 3.24Å; K43-Q47 PolarHBondContact O-N 2.89Å
48C49.9Very low53Low15 Ų1580.3 Ų80.310%0.10140%0.401CS..Hα-helixtrans-85.2-28.2178.4-79.70000114.6L44 E45 E46 Q50 C51 C67L44-C48 WeakPolarHBondContact O-CB 3.42Å; L44-C48 PolarHBondContact O-N 3.45Å; L44-C48 PolarHBondContact O-SG 2.8Å; E45-C48 CarbonylContact O-C 3.42Å; E45-C48 WeakPolarHBondContact O-CA 3.36Å; E45-C48 VanDerWaalsContact O-CB 3.32Å; E45-C48 WeakPolarHBondContact O-CB 3.33Å; E45-C48 PolarHBondContact O-N 3.16Å; E45-C48 VanDerWaalsContact O-N 3.13Å; E46-C48 PolarHBondContact O-N 2.98Å; C48-Q50 VanDerWaalsContact C-N 3.29Å; C48-C51 WeakPolarHBondContact O-CB 3.12Å; C48-C51 PolarHBondContact O-N 3.19Å; C48-C67 WeakPolarHBondContact CA-SG 2.97Å; C48-C67 HydrophobicContact CB-CB 3.47Å; C48-C67 VanDerWaalsContact CB-CB 3.47Å; C48-C67 WeakPolarHBondContact CB-SG 3.44Å; C48-C67 WeakPolarHBondContact SG-CA 3.38Å; C48-C67 WeakPolarHBondContact SG-CB 3.16Å; C48-C67 CovalentContact SG-SG 2.03Å; C48-C67 PolarHBondContact SG-SG 3.18Å
49Q51.5Low51.7Low128 Ų12881.4 Ų81.460%0.59841%0.41SS*.Hα-helixtrans-71.2-26.8172.4-73.9179.8-5.400112.4E45 E46 C51 L69E45-Q49 PolarHBondContact O-N 2.74Å; E46-Q49 PolarHBondContact O-N 3.38Å; Q49-C51 PolarHBondContact O-N 3.19Å; Q49-L69 HydrophobicContact CG-CD1 4.1Å
50Q52.3Low50.8Low144 Ų14484.9 Ų84.967%0.67343%0.43SS*.THydrogen-bonded Turntrans-73.6-12.5172.8-74.9162.8-5.800113.1E46 C48 E52E46-Q50 PolarHBondContact O-N 3.33Å; C48-Q50 VanDerWaalsContact C-N 3.29Å; Q50-E52 PolarHBondContact O-N 2.87Å
51C49Very low50Low17 Ų1791.1 Ų91.112%0.11546%0.456CS..SBendtrans-8483.5167.5-60.20000109.2C48 Q49C48-C51 WeakPolarHBondContact O-CB 3.12Å; C48-C51 PolarHBondContact O-N 3.19Å; Q49-C51 PolarHBondContact O-N 3.19Å
52E50Low49.2Very low139 Ų13996.1 Ų96.165%0.6548%0.478SS*.  trans-53.4141.6165.4-87.3-173.699.900109.6Q50 D54 A55 C56Q50-E52 PolarHBondContact O-N 2.87Å; E52-D54 PolarHBondContact O-N 3.48Å; E52-D54 VanDerWaalsContact O-N 3.11Å; E52-A55 HydrophobicContact CB-CB 3.97Å; E52-A55 WeakPolarHBondContact O-CA 3.39Å; E52-A55 WeakPolarHBondContact O-CB 3.15Å; E52-A55 PolarHBondContact O-N 2.96Å; E52-C56 PolarHBondContact O-N 3.39Å
53P49.3Very low48Very low91 Ų9198.1 Ų98.159%0.59150%0.495SS*.G310 helixtrans-53.2-33.7-179.915.5-27.1000113.2
54D49Very low46.8Very low149 Ų14995.8 Ų95.880%0.79749%0.487SS*.G310 helixtrans-80.3-16.2175.6-70.1-36.3000113.6E52E52-D54 PolarHBondContact O-N 3.48Å; E52-D54 VanDerWaalsContact O-N 3.11Å
55A42.4Very low46.2Very low37 Ų3797.7 Ų97.731%0.30650%0.504SS..G310 helixtrans-88.2-9.817800000113.7E52 E57 R58 C59E52-A55 HydrophobicContact CB-CB 3.97Å; E52-A55 WeakPolarHBondContact O-CA 3.39Å; E52-A55 WeakPolarHBondContact O-CB 3.15Å; E52-A55 PolarHBondContact O-N 2.96Å; A55-E57 PolarHBondContact O-N 3.41Å; A55-R58 PolarHBondContact O-N 3.04Å; A55-C59 PolarHBondContact O-N 3.03Å
56C45Very low46Very low38 Ų38101.3 Ų101.326%0.25752%0.521SS..G310 helixtrans-67.3-11176.3-84.20000114E52 R58 C64E52-C56 PolarHBondContact O-N 3.39Å; C56-R58 VanDerWaalsContact C-N 3.25Å; C56-R58 PolarHBondContact O-N 2.92Å; C56-C64 HydrophobicContact CB-CB 4.18Å; C56-C64 WeakPolarHBondContact CB-SG 3.05Å; C56-C64 WeakPolarHBondContact SG-CB 3.45Å; C56-C64 CovalentContact SG-SG 2.07Å; C56-C64 PolarHBondContact SG-SG 2.92Å
57E42.5Very low45.3Very low190 Ų19097.4 Ų97.489%0.88850%0.504SS*.G310 helixtrans-69-23.8167-75.6-163.2148.700112.9A55A55-E57 PolarHBondContact O-N 3.41Å
58R42.1Very low44.8Very low233 Ų23396 Ų9688%0.87951%0.505SS*.THydrogen-bonded Turntrans-100.8-11.3-179.2-67.1-176.3-170.8171.54.6113.9A55 C56A55-R58 PolarHBondContact O-N 3.04Å; C56-R58 VanDerWaalsContact C-N 3.25Å; C56-R58 PolarHBondContact O-N 2.92Å
59C40.4Very low44.1Very low36 Ų36100 Ų10024%0.24353%0.525CS..SBendtrans-82.6140.4172.8-75.30000109.8A55 Q61 C64A55-C59 PolarHBondContact O-N 3.03Å; C59-Q61 PolarHBondContact O-N 2.72Å; C59-C64 VanDerWaalsContact CB-SG 3.59Å
60P42.2Very low43.4Very low92 Ų9298 Ų9860%0.59752%0.516SS*.  trans-52.4131.1163.7-2.69.3000107.6E62 A63P60-E62 PolarHBondContact O-N 2.75Å; P60-A63 HydrophobicContact CG-CB 4.48Å; P60-A63 WeakPolarHBondContact O-CB 3.32Å; P60-A63 PolarHBondContact O-N 2.77Å
61Q41.9Very low42.7Very low174 Ų174100.7 Ų100.781%0.81352%0.52SS*.Hα-helixtrans-53.9-22.6-177-74.4-173.6-25.900113.1C59 A63 S65C59-Q61 PolarHBondContact O-N 2.72Å; Q61-A63 VanDerWaalsContact C-N 3.31Å; Q61-A63 PolarHBondContact O-N 3.48Å; Q61-S65 WeakPolarHBondContact O-CB 3.38Å; Q61-S65 PolarHBondContact O-N 3.22Å; Q61-S65 PolarHBondContact O-OG 3.3Å
62E41.5Very low42.1Very low162 Ų162108.7 Ų108.776%0.75756%0.556SS**Hα-helixtrans-71.1-18.1174.1-59.4-173.9164.100114.1P60 H66P60-E62 PolarHBondContact O-N 2.75Å; E62-H66 PolarHBondContact O-CD2 2.77Å
63A41.7Very low41.1Very low48 Ų48108.7 Ų108.740%0.39756%0.559SS.*Hα-helixtrans-91.2-41.817800000112.4P60 Q61P60-A63 HydrophobicContact CG-CB 4.48Å; P60-A63 WeakPolarHBondContact O-CB 3.32Å; P60-A63 PolarHBondContact O-N 2.77Å; Q61-A63 VanDerWaalsContact C-N 3.31Å; Q61-A63 PolarHBondContact O-N 3.48Å
64C40.5Very low40.1Very low21 Ų21108.6 Ų108.614%0.14256%0.559CS.*Hα-helixtrans-76-29.7179.3-850000113.6C56 C59 H66 C67C56-C64 HydrophobicContact CB-CB 4.18Å; C56-C64 WeakPolarHBondContact CB-SG 3.05Å; C56-C64 WeakPolarHBondContact SG-CB 3.45Å; C56-C64 CovalentContact SG-SG 2.07Å; C56-C64 PolarHBondContact SG-SG 2.92Å; C59-C64 VanDerWaalsContact CB-SG 3.59Å; C64-H66 PolarHBondContact O-N 3.48Å; C64-H66 VanDerWaalsContact O-N 3.1Å; C64-C67 PolarHBondContact O-N 2.94Å
65S42.3Very low39.4Very low90 Ų90105.7 Ų105.763%0.62956%0.556SS**THydrogen-bonded Turntrans-66.8-10.3-180490000114Q61Q61-S65 WeakPolarHBondContact O-CB 3.38Å; Q61-S65 PolarHBondContact O-N 3.22Å; Q61-S65 PolarHBondContact O-OG 3.3Å
66H46.7Very low38.8Very low108 Ų108108 Ų10850%0.557%0.574SS.*THydrogen-bonded Turntrans-96.46.5-179.2-78.2-97000114E62 C64 P68E62-H66 PolarHBondContact O-CD2 2.77Å; C64-H66 PolarHBondContact O-N 3.48Å; C64-H66 VanDerWaalsContact O-N 3.1Å; H66-P68 WeakPolarHBondContact O-CD 2.97Å
67C39.7Very low38.2Very low16 Ų16109.9 Ų109.911%0.10858%0.584CS.*  trans-88.2114.6-174.6-69.10000114.9C48 C64 L69C48-C67 WeakPolarHBondContact CA-SG 2.97Å; C48-C67 HydrophobicContact CB-CB 3.47Å; C48-C67 VanDerWaalsContact CB-CB 3.47Å; C48-C67 WeakPolarHBondContact CB-SG 3.44Å; C48-C67 WeakPolarHBondContact SG-CA 3.38Å; C48-C67 WeakPolarHBondContact SG-CB 3.16Å; C48-C67 CovalentContact SG-SG 2.03Å; C48-C67 PolarHBondContact SG-SG 3.18Å; C64-C67 PolarHBondContact O-N 2.94Å; C67-L69 VanDerWaalsContact C-N 3.3Å; C67-L69 PolarHBondContact O-N 3.21Å
68P40.9Very low37.6Very low88 Ų88106.7 Ų106.757%0.57158%0.578SS**THydrogen-bonded Turntrans-72.3-16.8-173.227.7-34.1000114.5H66H66-P68 WeakPolarHBondContact O-CD 2.97Å
69L36Very low36.9Very low98 Ų9899 Ų9951%0.51356%0.56SS.*THydrogen-bonded Turntrans-90.8-15.8-173.7-89.2163.2000115.3E45 Q49 C67E45-L69 HydrophobicContact CG-CD1 3.39Å; E45-L69 HydrophobicContact CG-CG 4.21Å; E45-L69 VanDerWaalsContact OE1-CD1 3.3Å; E45-L69 WeakPolarHBondContact OE1-CD1 3.34Å; E45-L69 WeakPolarHBondContact OE1-CG 3.45Å; Q49-L69 HydrophobicContact CG-CD1 4.1Å; C67-L69 VanDerWaalsContact C-N 3.3Å; C67-L69 PolarHBondContact O-N 3.21Å
70Q36.9Very low36.4Very low88 Ų88105 Ų10541%0.41159%0.59SS.*  trans-98.9-2.9-168-141.2165.212.800114.6Q72Q70-Q72 PolarHBondContact O-N 2.88Å; Q70-Q72 VanDerWaalsContact O-N 3.16Å
71R37.3Very low35.7Very low199 Ų199107.4 Ų107.475%0.75160%0.598SS**  trans-82.692.9167.9-89.6-175.2176.2165-0.5109.7L73 E152R71-L73 PolarHBondContact O-N 3.21Å; R71-L73 VanDerWaalsContact O-N 3.17Å; R71-E152 IonicContact NH1-OE2 3.97Å; R71-E152 PolarHBondContact NH1-OE2 2.91Å
72Q35.9Very low35Very low186 Ų186108.5 Ų108.587%0.86959%0.594SS**PPolyproline II helixtrans-49.8119.9158.4-71.7179.8-16.400108.6Q70Q70-Q72 PolarHBondContact O-N 2.88Å; Q70-Q72 VanDerWaalsContact O-N 3.16Å
73L29.8Very low34.5Very low138 Ų138106 Ų10672%0.72359%0.593SS**PPolyproline II helixtrans-53.5132.6170.4-83.5142.6000108.5R71 A75 V77R71-L73 PolarHBondContact O-N 3.21Å; R71-L73 VanDerWaalsContact O-N 3.17Å; L73-A75 PolarHBondContact O-N 3.14Å; L73-V77 HydrophobicContact CD2-CG2 4.11Å
74P28.5Very low33.9Very low89 Ų89109.2 Ų109.258%0.57861%0.612SS**PPolyproline II helixtrans-54.1134.2173.6-22.332.4000109.4A76 V77P74-A76 PolarHBondContact O-N 3.32Å; P74-V77 WeakPolarHBondContact O-CG2 3.37Å; P74-V77 PolarHBondContact O-N 2.91Å; P74-V77 VanDerWaalsContact O-N 3.16Å
75A32.7Very low33.3Very low89 Ų89116.9 Ų116.974%0.73664%0.643SS**G310 helixtrans-54.9-1.4178.100000115.2L73 V77 T78L73-A75 PolarHBondContact O-N 3.14Å; A75-V77 PolarHBondContact O-N 3.4Å; A75-T78 PolarHBondContact O-OG1 3.41Å
76A30.7Very low32.7Very low84 Ų84118.8 Ų118.869%0.69465%0.646SS**G310 helixtrans-70.1-12.3170.800000114.2P74P74-A76 PolarHBondContact O-N 3.32Å
77V31.6Very low32Very low78 Ų78116.8 Ų116.847%0.47364%0.643SS.*G310 helixtrans-84.7-15.2-174.7-177.80000113.5L73 P74 A75L73-V77 HydrophobicContact CD2-CG2 4.11Å; P74-V77 WeakPolarHBondContact O-CG2 3.37Å; P74-V77 PolarHBondContact O-N 2.91Å; P74-V77 VanDerWaalsContact O-N 3.16Å; A75-V77 PolarHBondContact O-N 3.4Å
78T30.4Very low32Very low124 Ų124126 Ų12676%0.76168%0.675SS**SBendtrans-97.80.6-175.146.50000115A75A75-T78 PolarHBondContact O-OG1 3.41Å
79S27.5Very low32.2Very low71 Ų71126.8 Ų126.850%0.49767%0.671SS.*SBendtrans-99.6125.8177.5-167.50000110.7N81S79-N81 PolarHBondContact O-N 2.82Å
80N29.3Very low32.6Very low163 Ų163126 Ų12687%0.87267%0.671SS**SBendtrans-64.627-177.9-63.2-32.4000115.1
81N28.7Very low33.3Very low141 Ų141126.7 Ų126.775%0.75468%0.677SS**  trans-111.751.4-179-84.3-7.8000111.4S79S79-N81 PolarHBondContact O-N 2.82Å
82W27.2Very low34.1Very low197 Ų197119.3 Ų119.375%0.74665%0.651SS**  trans-66126.2167.1-85.974.3000109.4S84W82-S84 PolarHBondContact O-N 3.33Å
83P31Very low35.2Very low111 Ų111111.2 Ų111.272%0.72161%0.614SS**  trans-61.8129.7170.7-13.527.3000108.7F85P83-F85 PolarHBondContact O-N 3.04Å; P83-F85 VanDerWaalsContact O-N 3.16Å
84S29.2Very low36.6Very low114 Ų114109.3 Ų109.380%0.79761%0.605SS**  trans-42.9118.8173.7-177.60000111.5W82 D86W82-S84 PolarHBondContact O-N 3.33Å; S84-D86 PolarHBondContact O-N 3.13Å; S84-D86 VanDerWaalsContact O-N 3.1Å
85F26.8Very low37.8Very low183 Ų183108 Ų10880%0.80360%0.597SS**  trans-70.897.7171.7-152.6-98.9000107.6P83 P87P83-F85 PolarHBondContact O-N 3.04Å; P83-F85 VanDerWaalsContact O-N 3.16Å; F85-P87 VanDerWaalsContact C-CD 3.5Å; F85-P87 HydrophobicContact CD1-CG 3.29Å; F85-P87 HydrophobicContact CE1-CG 3.22Å; F85-P87 HydrophobicContact CG-CG 4.13Å; F85-P87 HydrophobicContact CZ-CG 4.03Å
86D29.9Very low39.2Very low130 Ų130107.2 Ų107.270%0.69558%0.578SS**  trans-117.990.1165.3-173.5-4.1000111.1S84S84-D86 PolarHBondContact O-N 3.13Å; S84-D86 VanDerWaalsContact O-N 3.1Å
87P32.1Very low40.8Very low66 Ų66106.6 Ų106.643%0.42956%0.558SS.*  trans-12191.7170.428.8-7.8000108.8F85 H89F85-P87 VanDerWaalsContact C-CD 3.5Å; F85-P87 HydrophobicContact CD1-CG 3.29Å; F85-P87 HydrophobicContact CE1-CG 3.22Å; F85-P87 HydrophobicContact CG-CG 4.13Å; F85-P87 HydrophobicContact CZ-CG 4.03Å; P87-H89 VanDerWaalsContact C-N 3.34Å; P87-H89 PolarHBondContact O-N 2.85Å
88R40.2Very low41.9Very low208 Ų208107 Ų10779%0.78556%0.557SS**  trans-40.690165.3-64.6169.9-69.3176.3-1.1112.4T90R88-T90 PolarHBondContact O-N 3.47Å
89H45.2Very low43.5Very low106 Ų106104 Ų10449%0.49154%0.537SS..SBendtrans57.81.1147.2-71.755.9000120P87 C93 R122P87-H89 VanDerWaalsContact C-N 3.34Å; P87-H89 PolarHBondContact O-N 2.85Å; H89-C93 PolarHBondContact O-N 2.61Å; H89-C93 PolarHBondContact O-SG 3.3Å; H89-C93 VanDerWaalsContact O-SG 3.37Å; H89-R122 PolarHBondContact CD2-O 3.16Å
90T42.8Very low45.2Very low82 Ų82101 Ų10150%0.50352%0.518SS..Hα-helixtrans-69.5-42.9-174.144.60000113.5R88 F92 C93 D94R88-T90 PolarHBondContact O-N 3.47Å; T90-F92 PolarHBondContact O-N 2.99Å; T90-C93 PolarHBondContact O-N 3.4Å; T90-D94 WeakPolarHBondContact O-CB 3.13Å; T90-D94 PolarHBondContact O-N 2.9Å
91D53.3Low47Very low102 Ų10298.4 Ų98.455%0.54550%0.502SS..Hα-helixtrans-69-35.2-174.4-69.3-10.7000112.8S95D91-S95 WeakPolarHBondContact O-CB 3.34Å; D91-S95 PolarHBondContact O-N 2.71Å; D91-S95 VanDerWaalsContact O-N 3.11Å; D91-S95 PolarHBondContact O-OG 3.35Å
92F53.4Low48.8Very low44 Ų4496.7 Ų96.719%0.19349%0.49CS..Hα-helixtrans-69.6-50.2177-179-99.5000110.9T90 D94 S95 F96 L118 Y119 R122T90-F92 PolarHBondContact O-N 2.99Å; F92-D94 VanDerWaalsContact C-N 3.33Å; F92-D94 PolarHBondContact O-N 3.07Å; F92-S95 PolarHBondContact O-N 2.89Å; F92-F96 AromaticContact CD2-CD2 3.64Å; F92-F96 HydrophobicContact CD2-CD2 3.64Å; F92-F96 AromaticContact CD2-CE2 3.7Å; F92-F96 HydrophobicContact CD2-CE2 3.7Å; F92-F96 AromaticContact CE2-CD2 3.59Å; F92-F96 HydrophobicContact CE2-CD2 3.59Å; F92-F96 AromaticContact CE2-CE2 3.64Å; F92-F96 HydrophobicContact CE2-CE2 3.64Å; F92-F96 HydrophobicContact CE2-CG 4.47Å; F92-F96 HydrophobicContact CG-CD2 4.26Å; F92-F96 HydrophobicContact CZ-CD2 4.17Å; F92-F96 WeakPolarHBondContact O-CD2 3.38Å; F92-F96 PolarHBondContact O-N 3.32Å; F92-L118 HydrophobicContact CE1-CG 4.26Å; F92-L118 HydrophobicContact CE2-CD2 3.96Å; F92-L118 HydrophobicContact CZ-CB 4.36Å; F92-L118 HydrophobicContact CZ-CD2 3.62Å; F92-L118 HydrophobicContact CZ-CG 3.75Å; F92-Y119 HydrophobicContact CE1-CD2 4.38Å; F92-R122 HydrophobicContact CD1-CB 4.23Å; F92-R122 HydrophobicContact CE1-CB 4.22Å
93C59.2Low50.8Low16 Ų1690.9 Ų90.911%0.10847%0.47CS..Hα-helixtrans-64.9-38.7-177.5-64.20000112.3H89 T90 R97 Y119 C123H89-C93 PolarHBondContact O-N 2.61Å; H89-C93 PolarHBondContact O-SG 3.3Å; H89-C93 VanDerWaalsContact O-SG 3.37Å; T90-C93 PolarHBondContact O-N 3.4Å; C93-R97 WeakPolarHBondContact O-CA 3.31Å; C93-R97 VanDerWaalsContact O-CB 3.26Å; C93-R97 WeakPolarHBondContact O-CB 3.28Å; C93-R97 PolarHBondContact O-N 3.27Å; C93-R97 VanDerWaalsContact O-N 3.07Å; C93-Y119 WeakPolarHBondContact O-CE2 3.43Å; C93-Y119 PolarHBondContact O-OH 3.09Å; C93-C123 WeakPolarHBondContact CA-SG 3.36Å; C93-C123 HydrophobicContact CB-CB 3.9Å; C93-C123 WeakPolarHBondContact CB-SG 3.2Å; C93-C123 WeakPolarHBondContact SG-CA 3.4Å; C93-C123 WeakPolarHBondContact SG-CB 3.24Å; C93-C123 CovalentContact SG-SG 2.04Å; C93-C123 PolarHBondContact SG-SG 2.85Å
94D59.6Low52.7Low98 Ų9886.8 Ų86.852%0.52444%0.444SS..Hα-helixtrans-72.2-41179.5-72.8-27.9000112.2T90 F92 F96T90-D94 WeakPolarHBondContact O-CB 3.13Å; T90-D94 PolarHBondContact O-N 2.9Å; F92-D94 VanDerWaalsContact C-N 3.33Å; F92-D94 PolarHBondContact O-N 3.07Å; D94-F96 VanDerWaalsContact C-N 3.34Å; D94-F96 PolarHBondContact O-N 2.81Å
95S53.7Low54.8Low60 Ų6089.3 Ų89.342%0.4244%0.44SS..Hα-helixtrans-63.7-37.1179.4-64.30000113.3D91 F92 Y180D91-S95 WeakPolarHBondContact O-CB 3.34Å; D91-S95 PolarHBondContact O-N 2.71Å; D91-S95 VanDerWaalsContact O-N 3.11Å; D91-S95 PolarHBondContact O-OG 3.35Å; F92-S95 PolarHBondContact O-N 2.89Å; S95-Y180 PolarHBondContact OG-OH 3.22Å; S95-Y180 VanDerWaalsContact OG-OH 3.09Å
96F60.7Low56.8Low74 Ų7482.8 Ų82.833%0.32543%0.425SS..Hα-helixtrans-100.6-2.3-175.4-68.7-78.7000113.9F92 D94 L98 V99 A100 L115 Y119F92-F96 AromaticContact CD2-CD2 3.64Å; F92-F96 HydrophobicContact CD2-CD2 3.64Å; F92-F96 AromaticContact CD2-CE2 3.7Å; F92-F96 HydrophobicContact CD2-CE2 3.7Å; F92-F96 AromaticContact CE2-CD2 3.59Å; F92-F96 HydrophobicContact CE2-CD2 3.59Å; F92-F96 AromaticContact CE2-CE2 3.64Å; F92-F96 HydrophobicContact CE2-CE2 3.64Å; F92-F96 HydrophobicContact CE2-CG 4.47Å; F92-F96 HydrophobicContact CG-CD2 4.26Å; F92-F96 HydrophobicContact CZ-CD2 4.17Å; F92-F96 WeakPolarHBondContact O-CD2 3.38Å; F92-F96 PolarHBondContact O-N 3.32Å; D94-F96 VanDerWaalsContact C-N 3.34Å; D94-F96 PolarHBondContact O-N 2.81Å; F96-L98 PolarHBondContact O-N 3.42Å; F96-V99 PolarHBondContact O-N 3.03Å; F96-A100 WeakPolarHBondContact O-CB 3.43Å; F96-A100 PolarHBondContact O-N 3.07Å; F96-L115 HydrophobicContact CD1-CD1 3.85Å; F96-L115 HydrophobicContact CD1-CD2 4.03Å; F96-L115 HydrophobicContact CD1-CG 4.44Å; F96-L115 HydrophobicContact CE1-CD1 3.9Å; F96-L115 HydrophobicContact CE1-CD2 4.25Å; F96-L115 HydrophobicContact CG-CD1 4.33Å; F96-L115 HydrophobicContact CZ-CD1 4.45Å; F96-Y119 HydrophobicContact CB-CD2 3.84Å; F96-Y119 HydrophobicContact CB-CE2 4.05Å
97R65Low58.8Low71 Ų7185.4 Ų85.427%0.26843%0.43SS..Hα-helixtrans-53.8-48.9-175-174.8170.4176.3169.10.1114.1C93 A100 I101 Y119 M129C93-R97 WeakPolarHBondContact O-CA 3.31Å; C93-R97 VanDerWaalsContact O-CB 3.26Å; C93-R97 WeakPolarHBondContact O-CB 3.28Å; C93-R97 PolarHBondContact O-N 3.27Å; C93-R97 VanDerWaalsContact O-N 3.07Å; R97-A100 PolarHBondContact O-N 3.02Å; R97-I101 HydrophobicContact CG-CD1 3.84Å; R97-I101 VanDerWaalsContact O-CG1 3.28Å; R97-I101 WeakPolarHBondContact O-CG1 3.47Å; R97-I101 PolarHBondContact O-N 3.37Å; R97-Y119 WeakPolarHBondContact CA-OH 3.42Å; R97-M129 PolarHBondContact NH2-SD 2.86Å
98L56Low60.2Low87 Ų8783.5 Ų83.546%0.45542%0.416SS..Hα-helixtrans-68.2-41-176.6-67.2178.8000111.5F96 A100 I101 E102 W137F96-L98 PolarHBondContact O-N 3.42Å; L98-A100 VanDerWaalsContact C-N 3.3Å; L98-A100 PolarHBondContact O-N 2.01Å; L98-I101 PolarHBondContact O-N 2.97Å; L98-E102 PolarHBondContact O-N 3.35Å; L98-E102 VanDerWaalsContact O-N 3.13Å; L98-W137 HydrophobicContact CD1-CH2 4.28Å; L98-W137 HydrophobicContact CD1-CZ3 3.77Å
99V63.2Low61.3Low59 Ų5981.2 Ų81.236%0.35842%0.418SS..Hα-helixtrans-60.5-44.5174.4-179.80000109.8F96 E102 K103 L115F96-V99 PolarHBondContact O-N 3.03Å; V99-E102 PolarHBondContact O-N 3.33Å; V99-K103 VanDerWaalsContact O-CB 3.3Å; V99-K103 WeakPolarHBondContact O-CB 3.27Å; V99-K103 PolarHBondContact O-N 3.47Å; V99-L115 HydrophobicContact CG1-CD2 4.29Å
100A63.5Low62.7Low10 Ų1078.2 Ų78.28%0.08342%0.416CS..Hα-helixtrans-64.2-44.8179.900000112.9F96 R97 L98 E102 C104 Y119F96-A100 WeakPolarHBondContact O-CB 3.43Å; F96-A100 PolarHBondContact O-N 3.07Å; R97-A100 PolarHBondContact O-N 3.02Å; L98-A100 VanDerWaalsContact C-N 3.3Å; L98-A100 PolarHBondContact O-N 2.01Å; A100-E102 VanDerWaalsContact C-N 3.3Å; A100-E102 PolarHBondContact O-N 2.91Å; A100-C104 VanDerWaalsContact CA-SG 3.55Å; A100-C104 WeakPolarHBondContact O-CA 2.97Å; A100-C104 WeakPolarHBondContact O-CB 3.16Å; A100-C104 PolarHBondContact O-N 3.12Å; A100-Y119 HydrophobicContact CB-CD1 3.42Å; A100-Y119 VanDerWaalsContact CB-CD1 3.42Å; A100-Y119 HydrophobicContact CB-CD2 3.93Å; A100-Y119 HydrophobicContact CB-CE1 3.44Å; A100-Y119 VanDerWaalsContact CB-CE1 3.44Å; A100-Y119 HydrophobicContact CB-CE2 3.94Å; A100-Y119 HydrophobicContact CB-CG 3.68Å
101I66.2Low63.5Low107 Ų10779.5 Ų79.555%0.54943%0.426SS..Hα-helixtrans-60.3-40.8177.9-70.7166.8000111.6R97 L98R97-I101 HydrophobicContact CG-CD1 3.84Å; R97-I101 VanDerWaalsContact O-CG1 3.28Å; R97-I101 WeakPolarHBondContact O-CG1 3.47Å; R97-I101 PolarHBondContact O-N 3.37Å; L98-I101 PolarHBondContact O-N 2.97Å
102E67.5Low63.9Low105 Ų10577.7 Ų77.749%0.49142%0.416SS..Hα-helixtrans-83.1-42.4-174.6-170.4-172.616000112.8L98 V99 A100 K105L98-E102 PolarHBondContact O-N 3.35Å; L98-E102 VanDerWaalsContact O-N 3.13Å; V99-E102 PolarHBondContact O-N 3.33Å; A100-E102 VanDerWaalsContact C-N 3.3Å; A100-E102 PolarHBondContact O-N 2.91Å; E102-K105 WeakPolarHBondContact O-CE 3.23Å
103K69Low64.4Low75 Ų7575.9 Ų75.933%0.32641%0.409SS..Hα-helixtrans-107.6-22.6-166.3-59.7-74.1-178163.50113.7V99 K105 E108 L112 D191V99-K103 VanDerWaalsContact O-CB 3.3Å; V99-K103 WeakPolarHBondContact O-CB 3.27Å; V99-K103 PolarHBondContact O-N 3.47Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 2.95Å; K103-K105 VanDerWaalsContact O-N 3.12Å; K103-E108 VanDerWaalsContact O-CD 3.23Å; K103-E108 WeakPolarHBondContact O-CG 3.36Å; K103-L112 HydrophobicContact CB-CD1 4.09Å; K103-L112 HydrophobicContact CB-CD2 4.2Å; K103-D191 IonicContact NZ-OD2 2.71Å; K103-D191 PolarHBondContact NZ-OD2 3.43Å
104C69.5Low64.8Low26 Ų2682.1 Ų82.118%0.17644%0.437CS..  trans-88.961.3179.8-56.50000112.8A100 G106 E108 C116A100-C104 VanDerWaalsContact CA-SG 3.55Å; A100-C104 WeakPolarHBondContact O-CA 2.97Å; A100-C104 WeakPolarHBondContact O-CB 3.16Å; A100-C104 PolarHBondContact O-N 3.12Å; C104-G106 VanDerWaalsContact C-N 3.31Å; C104-G106 PolarHBondContact O-N 3.3Å; C104-E108 VanDerWaalsContact C-OE1 3.3Å; C104-E108 VanDerWaalsContact CA-CD 3.49Å; C104-E108 WeakPolarHBondContact CA-OE1 3.16Å; C104-C116 WeakPolarHBondContact CA-SG 3.35Å; C104-C116 HydrophobicContact CB-CB 3.7Å; C104-C116 WeakPolarHBondContact CB-SG 3.09Å; C104-C116 WeakPolarHBondContact SG-CA 3.21Å; C104-C116 WeakPolarHBondContact SG-CB 3.46Å; C104-C116 CovalentContact SG-SG 2.02Å; C104-C116 PolarHBondContact SG-SG 3.18Å
105K74.1Confident64.9Low166 Ų16679.6 Ų79.672%0.72242%0.423SS*.SBendtrans-77.2-8.4178.6-59.2-173.4-177.9-178.40114.4E102 K103 E108E102-K105 WeakPolarHBondContact O-CE 3.23Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 2.95Å; K103-K105 VanDerWaalsContact O-N 3.12Å; K105-E108 WeakPolarHBondContact CA-OE1 3.24Å; K105-E108 PolarHBondContact N-OE1 3.4Å
106G68Low65.5Low46 Ų4676.7 Ų76.747%0.47440%0.403SS..SBendtrans104.15.8179.600000115C104 E108C104-G106 VanDerWaalsContact C-N 3.31Å; C104-G106 PolarHBondContact O-N 3.3Å; G106-E108 PolarHBondContact N-OE1 3.31Å; G106-E108 PolarHBondContact N-OE2 2.89Å
107F72.7Confident65.9Low185 Ų18576.7 Ų76.781%0.81141%0.407SS*.  trans-127.321.2-176.2-56.7-81.3000112.6
108E61.1Low66Low27 Ų2776 Ų7613%0.12641%0.408CS..  trans-81.1133.1-172.9-55.474.3-132.400111K103 C104 K105 G106 L112 R120K103-E108 VanDerWaalsContact O-CD 3.23Å; K103-E108 WeakPolarHBondContact O-CG 3.36Å; C104-E108 VanDerWaalsContact C-OE1 3.3Å; C104-E108 VanDerWaalsContact CA-CD 3.49Å; C104-E108 WeakPolarHBondContact CA-OE1 3.16Å; K105-E108 WeakPolarHBondContact CA-OE1 3.24Å; K105-E108 PolarHBondContact N-OE1 3.4Å; G106-E108 PolarHBondContact N-OE1 3.31Å; G106-E108 PolarHBondContact N-OE2 2.89Å; E108-L112 HydrophobicContact CB-CB 4.28Å; E108-L112 HydrophobicContact CB-CD2 3.97Å; E108-L112 HydrophobicContact CB-CG 3.84Å; E108-L112 HydrophobicContact CG-CD2 3.67Å; E108-L112 HydrophobicContact CG-CG 3.79Å; E108-R120 IonicContact OE2-CZ 3.04Å; E108-R120 IonicContact OE2-NH1 2.77Å; E108-R120 IonicContact OE2-NH2 3.72Å; E108-R120 PolarHBondContact OE2-NH2 3.14Å
109L64.6Low66.6Low159 Ų15973.2 Ų73.283%0.83239%0.392SS*.  trans-115.1157.3177-66.1174.5000110.9
110G73.1Confident67Low43 Ų4375.5 Ų75.544%0.44339%0.394SS..THydrogen-bonded Turntrans65.4-146.1178.400000112.7L112 G113 E114G110-L112 PolarHBondContact O-N 2.75Å; G110-L112 VanDerWaalsContact O-N 3.09Å; G110-G113 WeakPolarHBondContact O-CA 3.44Å; G110-G113 PolarHBondContact O-N 3.4Å; G110-E114 PolarHBondContact O-N 3.1Å
111P60.7Low67.2Low110 Ų11082.4 Ų82.471%0.71442%0.424SS*.Hα-helixtrans-58.3-27.6-174.1-26.534.9000114.7L115P111-L115 PolarHBondContact O-N 3.31Å; P111-L115 VanDerWaalsContact O-N 3.14Å
112L61Low67.1Low63 Ų6383.2 Ų83.233%0.3342%0.42SS..Hα-helixtrans-71.5-39.8174.9-177.765.3000111.4K103 E108 G110 L115 C116K103-L112 HydrophobicContact CB-CD1 4.09Å; K103-L112 HydrophobicContact CB-CD2 4.2Å; E108-L112 HydrophobicContact CB-CB 4.28Å; E108-L112 HydrophobicContact CB-CD2 3.97Å; E108-L112 HydrophobicContact CB-CG 3.84Å; E108-L112 HydrophobicContact CG-CD2 3.67Å; E108-L112 HydrophobicContact CG-CG 3.79Å; G110-L112 PolarHBondContact O-N 2.75Å; G110-L112 VanDerWaalsContact O-N 3.09Å; L112-L115 PolarHBondContact O-N 3.16Å; L112-C116 WeakPolarHBondContact O-CB 3.18Å; L112-C116 PolarHBondContact O-N 3.17Å; L112-C116 PolarHBondContact O-SG 3.43Å
113G63.9Low67.1Low6 Ų678.5 Ų78.56%0.06240%0.399CS..Hα-helixtrans-58.9-48.417400000111.4G110 L115 C116 D117G110-G113 WeakPolarHBondContact O-CA 3.44Å; G110-G113 PolarHBondContact O-N 3.4Å; G113-L115 VanDerWaalsContact C-N 3.33Å; G113-L115 PolarHBondContact O-N 3.29Å; G113-C116 PolarHBondContact O-N 3.29Å; G113-C116 VanDerWaalsContact O-N 3.14Å; G113-D117 WeakPolarHBondContact O-CB 3.46Å; G113-D117 VanDerWaalsContact O-CG 3.29Å; G113-D117 PolarHBondContact O-N 2.07Å
114E68.4Low66.7Low147 Ų14780.1 Ų80.169%0.68742%0.417SS*.Hα-helixtrans-58.7-42.3176.4-67.3175.5-16300112.4G110 L118G110-E114 PolarHBondContact O-N 3.1Å; E114-L118 VanDerWaalsContact O-CB 3.24Å; E114-L118 WeakPolarHBondContact O-CB 3.29Å; E114-L118 PolarHBondContact O-N 2.99Å
115L62Low65.8Low45 Ų4584 Ų8424%0.23644%0.442CS..Hα-helixtrans-65-43.4175.8-179.365.5000111.8F96 V99 P111 L112 G113 L118 Y119F96-L115 HydrophobicContact CD1-CD1 3.85Å; F96-L115 HydrophobicContact CD1-CD2 4.03Å; F96-L115 HydrophobicContact CD1-CG 4.44Å; F96-L115 HydrophobicContact CE1-CD1 3.9Å; F96-L115 HydrophobicContact CE1-CD2 4.25Å; F96-L115 HydrophobicContact CG-CD1 4.33Å; F96-L115 HydrophobicContact CZ-CD1 4.45Å; V99-L115 HydrophobicContact CG1-CD2 4.29Å; P111-L115 PolarHBondContact O-N 3.31Å; P111-L115 VanDerWaalsContact O-N 3.14Å; L112-L115 PolarHBondContact O-N 3.16Å; G113-L115 VanDerWaalsContact C-N 3.33Å; G113-L115 PolarHBondContact O-N 3.29Å; L115-L118 PolarHBondContact O-N 3.2Å; L115-Y119 WeakPolarHBondContact O-CB 3.35Å; L115-Y119 PolarHBondContact O-N 3.16Å
116C65.9Low64.6Low0 Ų080.9 Ų80.90%044%0.439CS..Hα-helixtrans-65.3-40.8178.6-72.50000111.9C104 L112 G113 Y119 R120C104-C116 WeakPolarHBondContact CA-SG 3.35Å; C104-C116 HydrophobicContact CB-CB 3.7Å; C104-C116 WeakPolarHBondContact CB-SG 3.09Å; C104-C116 WeakPolarHBondContact SG-CA 3.21Å; C104-C116 WeakPolarHBondContact SG-CB 3.46Å; C104-C116 CovalentContact SG-SG 2.02Å; C104-C116 PolarHBondContact SG-SG 3.18Å; L112-C116 WeakPolarHBondContact O-CB 3.18Å; L112-C116 PolarHBondContact O-N 3.17Å; L112-C116 PolarHBondContact O-SG 3.43Å; G113-C116 PolarHBondContact O-N 3.29Å; G113-C116 VanDerWaalsContact O-N 3.14Å; C116-Y119 PolarHBondContact O-N 3.29Å; C116-R120 WeakPolarHBondContact O-CB 3.32Å; C116-R120 WeakPolarHBondContact O-CG 2.87Å; C116-R120 PolarHBondContact O-N 3.18Å
117D68.9Low63.1Low74 Ų7483.3 Ų83.340%0.39645%0.454SS..Hα-helixtrans-66.4-43.1175.7-70.1-19.7000110.9G113 Y119 R120 Q121G113-D117 WeakPolarHBondContact O-CB 3.46Å; G113-D117 VanDerWaalsContact O-CG 3.29Å; G113-D117 PolarHBondContact O-N 2.07Å; D117-Y119 VanDerWaalsContact C-N 3.3Å; D117-Y119 PolarHBondContact O-N 3.36Å; D117-R120 PolarHBondContact O-N 3.36Å; D117-R120 IonicContact OD1-NH1 3.83Å; D117-R120 PolarHBondContact OD1-NH1 2.92Å; D117-Q121 WeakPolarHBondContact O-CB 3.39Å; D117-Q121 WeakPolarHBondContact O-CG 3.39Å; D117-Q121 PolarHBondContact O-N 3.14Å
118L67.4Low61.6Low56 Ų5678 Ų7829%0.29345%0.451SS..Hα-helixtrans-60.9-40.9174.3-169.566.3000111.7F92 E114 L115 R122F92-L118 HydrophobicContact CE1-CG 4.26Å; F92-L118 HydrophobicContact CE2-CD2 3.96Å; F92-L118 HydrophobicContact CZ-CB 4.36Å; F92-L118 HydrophobicContact CZ-CD2 3.62Å; F92-L118 HydrophobicContact CZ-CG 3.75Å; E114-L118 VanDerWaalsContact O-CB 3.24Å; E114-L118 WeakPolarHBondContact O-CB 3.29Å; E114-L118 PolarHBondContact O-N 2.99Å; L115-L118 PolarHBondContact O-N 3.2Å; L118-R122 HydrophobicContact CD1-CG 4.47Å; L118-R122 VanDerWaalsContact O-CB 3.3Å; L118-R122 WeakPolarHBondContact O-CB 3.3Å; L118-R122 WeakPolarHBondContact O-CG 3.46Å; L118-R122 PolarHBondContact O-N 3.39Å; L118-R122 VanDerWaalsContact O-N 3.08Å
119Y68.1Low60.7Low29 Ų2981.2 Ų81.211%0.11447%0.468CS..Hα-helixtrans-64.1-48.8175.2-169.8-89.7000111.8F92 C93 F96 R97 A100 L115 C116 D117 Q121 R122 C123F92-Y119 HydrophobicContact CE1-CD2 4.38Å; C93-Y119 WeakPolarHBondContact O-CE2 3.43Å; C93-Y119 PolarHBondContact O-OH 3.09Å; F96-Y119 HydrophobicContact CB-CD2 3.84Å; F96-Y119 HydrophobicContact CB-CE2 4.05Å; R97-Y119 WeakPolarHBondContact CA-OH 3.42Å; A100-Y119 HydrophobicContact CB-CD1 3.42Å; A100-Y119 VanDerWaalsContact CB-CD1 3.42Å; A100-Y119 HydrophobicContact CB-CD2 3.93Å; A100-Y119 HydrophobicContact CB-CE1 3.44Å; A100-Y119 VanDerWaalsContact CB-CE1 3.44Å; A100-Y119 HydrophobicContact CB-CE2 3.94Å; A100-Y119 HydrophobicContact CB-CG 3.68Å; L115-Y119 WeakPolarHBondContact O-CB 3.35Å; L115-Y119 PolarHBondContact O-N 3.16Å; C116-Y119 PolarHBondContact O-N 3.29Å; D117-Y119 VanDerWaalsContact C-N 3.3Å; D117-Y119 PolarHBondContact O-N 3.36Å; Y119-Q121 VanDerWaalsContact C-N 3.29Å; Y119-Q121 PolarHBondContact O-N 2.78Å; Y119-R122 PolarHBondContact O-N 3.13Å; Y119-C123 HydrophobicContact CD1-CB 4.13Å; Y119-C123 HydrophobicContact CD2-CB 4.34Å; Y119-C123 HydrophobicContact CE1-CB 3.87Å; Y119-C123 HydrophobicContact CE2-CB 4.1Å; Y119-C123 VanDerWaalsContact CE2-SG 3.57Å; Y119-C123 HydrophobicContact CG-CB 4.35Å; Y119-C123 WeakPolarHBondContact O-CA 3.4Å; Y119-C123 WeakPolarHBondContact O-CB 3.45Å; Y119-C123 PolarHBondContact O-N 3.42Å
120R71.7Confident59.4Low107 Ų10781 Ų8140%0.40446%0.462SS..Hα-helixtrans-60.8-37.5177.4-71.3166.7-170.2142.63.7112.4E108 C116 D117E108-R120 IonicContact OE2-CZ 3.04Å; E108-R120 IonicContact OE2-NH1 2.77Å; E108-R120 IonicContact OE2-NH2 3.72Å; E108-R120 PolarHBondContact OE2-NH2 3.14Å; C116-R120 WeakPolarHBondContact O-CB 3.32Å; C116-R120 WeakPolarHBondContact O-CG 2.87Å; C116-R120 PolarHBondContact O-N 3.18Å; D117-R120 PolarHBondContact O-N 3.36Å; D117-R120 IonicContact OD1-NH1 3.83Å; D117-R120 PolarHBondContact OD1-NH1 2.92Å
121Q67.6Low57.8Low154 Ų15484.1 Ų84.172%0.7248%0.477SS*.Hα-helixtrans-70.7-37.1179.2-74.6172.743.100112.6D117 Y119D117-Q121 WeakPolarHBondContact O-CB 3.39Å; D117-Q121 WeakPolarHBondContact O-CG 3.39Å; D117-Q121 PolarHBondContact O-N 3.14Å; Y119-Q121 VanDerWaalsContact C-N 3.29Å; Y119-Q121 PolarHBondContact O-N 2.78Å
122R65Low56.8Low124 Ų12490 Ų9047%0.46849%0.485SS..Hα-helixtrans-100.2-23-170.6-72.7-172.2179.5-173.90.5114.4H89 F92 L118 Y119H89-R122 PolarHBondContact CD2-O 3.16Å; F92-R122 HydrophobicContact CD1-CB 4.23Å; F92-R122 HydrophobicContact CE1-CB 4.22Å; L118-R122 HydrophobicContact CD1-CG 4.47Å; L118-R122 VanDerWaalsContact O-CB 3.3Å; L118-R122 WeakPolarHBondContact O-CB 3.3Å; L118-R122 WeakPolarHBondContact O-CG 3.46Å; L118-R122 PolarHBondContact O-N 3.39Å; L118-R122 VanDerWaalsContact O-N 3.08Å; Y119-R122 PolarHBondContact O-N 3.13Å
123C66.2Low55.8Low6 Ų693.2 Ų93.24%0.04150%0.499CS..SBendtrans-113.2136.4-173.6-56.20000110.3C93 Y119C93-C123 WeakPolarHBondContact CA-SG 3.36Å; C93-C123 HydrophobicContact CB-CB 3.9Å; C93-C123 WeakPolarHBondContact CB-SG 3.2Å; C93-C123 WeakPolarHBondContact SG-CA 3.4Å; C93-C123 WeakPolarHBondContact SG-CB 3.24Å; C93-C123 CovalentContact SG-SG 2.04Å; C93-C123 PolarHBondContact SG-SG 2.85Å; Y119-C123 HydrophobicContact CD1-CB 4.13Å; Y119-C123 HydrophobicContact CD2-CB 4.34Å; Y119-C123 HydrophobicContact CE1-CB 3.87Å; Y119-C123 HydrophobicContact CE2-CB 4.1Å; Y119-C123 VanDerWaalsContact CE2-SG 3.57Å; Y119-C123 HydrophobicContact CG-CB 4.35Å; Y119-C123 WeakPolarHBondContact O-CA 3.4Å; Y119-C123 WeakPolarHBondContact O-CB 3.45Å; Y119-C123 PolarHBondContact O-N 3.42Å
124P60.9Low54.6Low109 Ų10998.8 Ų98.871%0.70853%0.527SS*.  trans-58.7135.9177.722.2-30.6000110
125P50.5Low53.2Low109 Ų109100.7 Ų100.771%0.70853%0.532SS*.  trans-58.5138.5179.722.1-30.8000109.2A127P125-A127 PolarHBondContact O-N 3.05Å
126P49.1Very low52Low100 Ų100106.2 Ų106.265%0.64956%0.557SS**  trans-74.269.9179.230.4-32.7000109.8G128P126-G128 PolarHBondContact O-N 2.88Å; P126-G128 VanDerWaalsContact O-N 3.14Å
127A36.8Very low50.7Low96 Ų96111.2 Ų111.279%0.79358%0.576SS**  trans-73.4102.8173.300000109P125P125-A127 PolarHBondContact O-N 3.05Å
128G41.3Very low49.3Very low73 Ų73111.7 Ų111.775%0.75358%0.583SS**SBendtrans93.58.916100000117.8P126 Q130P126-G128 PolarHBondContact O-N 2.88Å; P126-G128 VanDerWaalsContact O-N 3.14Å; G128-Q130 PolarHBondContact O-N 2.83Å
129M42.1Very low48.1Very low96 Ų96117.5 Ų117.547%0.47361%0.606SS.*  trans-8297.9-173-142.5169.4-155.200112R97 S131 Q133R97-M129 PolarHBondContact NH2-SD 2.86Å; M129-S131 PolarHBondContact O-N 3.43Å; M129-Q133 HydrophobicContact CE-CB 4.07Å
130Q36.7Very low46.8Very low153 Ų153122 Ų12272%0.71563%0.63SS**  trans-49.4134.6167.2-62.3-175.430.800109.4G128 R132 Q133G128-Q130 PolarHBondContact O-N 2.83Å; Q130-R132 PolarHBondContact O-N 3.2Å; Q130-Q133 PolarHBondContact O-N 3.04Å; Q130-Q133 VanDerWaalsContact O-N 3.13Å
131S40.2Very low45.3Very low109 Ų109118.2 Ų118.276%0.76262%0.621SS**G310 helixtrans-48.7-12.9177.8-118.40000114.8M129 L134M129-S131 PolarHBondContact O-N 3.43Å; S131-L134 WeakPolarHBondContact O-CD1 3.3Å
132R40.4Very low44.3Very low233 Ų233113.1 Ų113.188%0.87960%0.603SS**G310 helixtrans-81.9-3.2-179.6-68.6-171.9-179.5-160.31.1115.7Q130Q130-R132 PolarHBondContact O-N 3.2Å
133Q38.5Very low43.6Very low131 Ų131112.1 Ų112.161%0.61261%0.607SS**G310 helixtrans-113.236.9170-71.9-168.9-14.600112.8M129 Q130 K135M129-Q133 HydrophobicContact CE-CB 4.07Å; Q130-Q133 PolarHBondContact O-N 3.04Å; Q130-Q133 VanDerWaalsContact O-N 3.13Å; Q133-K135 VanDerWaalsContact C-N 3.28Å; Q133-K135 PolarHBondContact O-N 2.03Å
134L40.1Very low43.2Very low124 Ų124114.4 Ų114.465%0.64962%0.623SS**  trans-55.1101.5156.9-105.689.9000107S131 Q136S131-L134 WeakPolarHBondContact O-CD1 3.3Å; L134-Q136 PolarHBondContact O-N 3.27Å; L134-Q136 VanDerWaalsContact O-N 3.15Å
135K38Very low43.2Very low186 Ų186113.6 Ų113.681%0.80962%0.615SS**  trans-51126.1164.7-90.1-177.1175.9-179.70105.9Q133 W137Q133-K135 VanDerWaalsContact C-N 3.28Å; Q133-K135 PolarHBondContact O-N 2.03Å; K135-W137 PolarHBondContact O-N 3.36Å
136Q37.4Very low43.3Very low161 Ų161112.2 Ų112.275%0.75261%0.605SS**  trans-50.1136.9175.4-74.2-179.57.800108.6L134L134-Q136 PolarHBondContact O-N 3.27Å; L134-Q136 VanDerWaalsContact O-N 3.15Å
137W38.8Very low43.7Very low105 Ų105108.9 Ų108.940%0.39858%0.583SS.*  trans-43.4132.9177.9-160-107000109.9L98 K135 K139 V179L98-W137 HydrophobicContact CD1-CH2 4.28Å; L98-W137 HydrophobicContact CD1-CZ3 3.77Å; K135-W137 PolarHBondContact O-N 3.36Å; W137-K139 PolarHBondContact O-N 3.19Å; W137-V179 HydrophobicContact CZ2-CB 4.45Å; W137-V179 HydrophobicContact CZ2-CG1 3.83Å; W137-V179 HydrophobicContact CZ2-CG2 3.75Å
138P39.1Very low44.9Very low84 Ų84108.6 Ų108.655%0.54557%0.565SS.*  trans-58.4108.9178.621.9-29.7000108.1M140P138-M140 PolarHBondContact O-N 2.8Å
139K41.5Very low45.7Very low178 Ų178110.2 Ų110.277%0.77455%0.553SS**SBendtrans-66.1-6.6177.9-68.7-175.4178.7178.70112.2W137W137-K139 PolarHBondContact O-N 3.19Å
140M40.4Very low46.6Very low124 Ų124109.7 Ų109.761%0.61155%0.551SS**  trans-149.669.6-170.6-61.3-169.6-64.400111.6P138 N143P138-M140 PolarHBondContact O-N 2.8Å; M140-N143 PolarHBondContact SD-ND2 3.11Å
141A40.7Very low48Very low28 Ų28103.2 Ų103.223%0.23152%0.523CS..SBendtrans-78.7-4.7155.600000111.6N143 Y180A141-N143 VanDerWaalsContact C-N 3.3Å; A141-N143 PolarHBondContact O-N 3.43Å; A141-Y180 HydrophobicContact CB-CD1 3.41Å; A141-Y180 VanDerWaalsContact CB-CD1 3.41Å; A141-Y180 HydrophobicContact CB-CE1 3.78Å; A141-Y180 HydrophobicContact CB-CG 4.24Å
142S46.5Very low49.5Very low47 Ų47103.1 Ų103.133%0.32951%0.51SS..THydrogen-bonded Turntrans-79.24.1-177.4660000115.2Q148S142-Q148 WeakPolarHBondContact O-CG 3.31Å; S142-Q148 PolarHBondContact O-NE2 3.22Å
143N50.4Low50.9Low102 Ų10299.1 Ų99.155%0.54550%0.5SS..THydrogen-bonded Turntrans-92.8-5.2-170.8-66.8-4.9000113.8M140 A141M140-N143 PolarHBondContact SD-ND2 3.11Å; A141-N143 VanDerWaalsContact C-N 3.3Å; A141-N143 PolarHBondContact O-N 3.43Å
144S58.8Low52.1Low54 Ų5497.4 Ų97.438%0.37849%0.488SS..  trans-82.8125.1171.11710000109.4V146 V147 Q148S144-V146 PolarHBondContact O-N 3.35Å; S144-V146 PolarHBondContact OG-N 2.95Å; S144-V147 WeakPolarHBondContact O-CA 3.36Å; S144-V147 WeakPolarHBondContact O-CB 3.31Å; S144-V147 PolarHBondContact O-N 3.08Å; S144-V147 PolarHBondContact OG-N 3.44Å; S144-Q148 PolarHBondContact O-N 3.09Å
145V59.5Low53.7Low92 Ų9298.7 Ų98.756%0.55848%0.484SS*.Hα-helixtrans-53.1-37.1173.6176.30000110.7Q148 Q149V145-Q148 PolarHBondContact O-N 3.39Å; V145-Q149 HydrophobicContact CG1-CG 4.47Å; V145-Q149 WeakPolarHBondContact O-CB 3.47Å; V145-Q149 VanDerWaalsContact O-CG 3.24Å; V145-Q149 WeakPolarHBondContact O-CG 3.46Å; V145-Q149 PolarHBondContact O-N 2.86Å
146V53.2Low54.9Low81 Ų8193.5 Ų93.549%0.49146%0.462SS..Hα-helixtrans-65.4-43.6176.7-178.80000111S144 Q149 L150S144-V146 PolarHBondContact O-N 3.35Å; S144-V146 PolarHBondContact OG-N 2.95Å; V146-Q149 PolarHBondContact O-N 3.16Å; V146-L150 HydrophobicContact CG1-CD1 4.18Å; V146-L150 VanDerWaalsContact O-CG 3.27Å; V146-L150 WeakPolarHBondContact O-CG 3.2Å; V146-L150 PolarHBondContact O-N 3.31Å
147V58.1Low56.4Low29 Ų2988.8 Ų88.818%0.17644%0.444CS..Hα-helixtrans-64.1-46176.81740000110S144 Q149 L150 C151S144-V147 WeakPolarHBondContact O-CA 3.36Å; S144-V147 WeakPolarHBondContact O-CB 3.31Å; S144-V147 PolarHBondContact O-N 3.08Å; S144-V147 PolarHBondContact OG-N 3.44Å; V147-Q149 VanDerWaalsContact C-N 3.33Å; V147-Q149 PolarHBondContact O-N 3.34Å; V147-L150 PolarHBondContact O-N 3.02Å; V147-C151 WeakPolarHBondContact O-CB 3.26Å; V147-C151 PolarHBondContact O-N 3.13Å; V147-C151 PolarHBondContact O-SG 3.02Å
148Q60.7Low57.7Low90 Ų9085.5 Ų85.542%0.42143%0.433SS..Hα-helixtrans-57.8-44.6176.5-68.4178.6-4.400112.1S142 S144 V145 L150 C151 E152S142-Q148 WeakPolarHBondContact O-CG 3.31Å; S142-Q148 PolarHBondContact O-NE2 3.22Å; S144-Q148 PolarHBondContact O-N 3.09Å; V145-Q148 PolarHBondContact O-N 3.39Å; Q148-L150 PolarHBondContact O-N 3.21Å; Q148-C151 WeakPolarHBondContact O-CB 3.25Å; Q148-C151 PolarHBondContact O-N 2.78Å; Q148-E152 WeakPolarHBondContact O-CG 3.3Å; Q148-E152 PolarHBondContact O-N 3.5Å
149Q59.2Low59.3Low108 Ų10889.9 Ų89.951%0.50544%0.443SS..Hα-helixtrans-62.8-41.6176.5-75.1173.8-6.700112.5V145 V146 V147 C151 K153V145-Q149 HydrophobicContact CG1-CG 4.47Å; V145-Q149 WeakPolarHBondContact O-CB 3.47Å; V145-Q149 VanDerWaalsContact O-CG 3.24Å; V145-Q149 WeakPolarHBondContact O-CG 3.46Å; V145-Q149 PolarHBondContact O-N 2.86Å; V146-Q149 PolarHBondContact O-N 3.16Å; V147-Q149 VanDerWaalsContact C-N 3.33Å; V147-Q149 PolarHBondContact O-N 3.34Å; Q149-C151 VanDerWaalsContact C-N 3.34Å; Q149-K153 WeakPolarHBondContact O-CB 3.47Å; Q149-K153 PolarHBondContact O-N 2.96Å
150L60.3Low60.7Low84 Ų8483.7 Ų83.744%0.4443%0.425SS..Hα-helixtrans-65-41173.9-69.1170.3000111.1V146 V147 Q148 K153 Y154V146-L150 HydrophobicContact CG1-CD1 4.18Å; V146-L150 VanDerWaalsContact O-CG 3.27Å; V146-L150 WeakPolarHBondContact O-CG 3.2Å; V146-L150 PolarHBondContact O-N 3.31Å; V147-L150 PolarHBondContact O-N 3.02Å; Q148-L150 PolarHBondContact O-N 3.21Å; L150-K153 PolarHBondContact O-N 3.34Å; L150-Y154 HydrophobicContact CB-CD2 4.44Å; L150-Y154 HydrophobicContact CD2-CD2 4.17Å; L150-Y154 HydrophobicContact CD2-CE2 3.67Å; L150-Y154 VanDerWaalsContact O-CD2 3.28Å; L150-Y154 WeakPolarHBondContact O-CD2 3.42Å; L150-Y154 PolarHBondContact O-N 3.4Å
151C67.4Low62Low17 Ų1780.4 Ų80.412%0.11541%0.414CS..Hα-helixtrans-62.5-43.5178.5-65.80000112.1V147 Q148 Q149 R155 Y177 C181V147-C151 WeakPolarHBondContact O-CB 3.26Å; V147-C151 PolarHBondContact O-N 3.13Å; V147-C151 PolarHBondContact O-SG 3.02Å; Q148-C151 WeakPolarHBondContact O-CB 3.25Å; Q148-C151 PolarHBondContact O-N 2.78Å; Q149-C151 VanDerWaalsContact C-N 3.34Å; C151-R155 WeakPolarHBondContact O-CB 3.48Å; C151-R155 PolarHBondContact O-N 3.38Å; C151-Y177 HydrophobicContact CB-CE2 4.43Å; C151-Y177 WeakPolarHBondContact O-CE2 3.37Å; C151-Y177 PolarHBondContact O-OH 3.11Å; C151-C181 WeakPolarHBondContact CA-SG 3.44Å; C151-C181 HydrophobicContact CB-CB 3.49Å; C151-C181 VanDerWaalsContact CB-CB 3.49Å; C151-C181 WeakPolarHBondContact CB-SG 3.33Å; C151-C181 WeakPolarHBondContact SG-CA 3.4Å; C151-C181 WeakPolarHBondContact SG-CB 3.32Å; C151-C181 CovalentContact SG-SG 2.02Å; C151-C181 PolarHBondContact SG-SG 2.95Å
152E71.8Confident63.4Low107 Ų10779.9 Ų79.950%0.541%0.409SS..Hα-helixtrans-64.4-53.1173.4-74.1-179.4-175.800110.9R71 Q148 Y154 R155R71-E152 IonicContact NH1-OE2 3.97Å; R71-E152 PolarHBondContact NH1-OE2 2.91Å; Q148-E152 WeakPolarHBondContact O-CG 3.3Å; Q148-E152 PolarHBondContact O-N 3.5Å; E152-Y154 VanDerWaalsContact C-N 3.33Å; E152-Y154 PolarHBondContact O-N 3.48Å; E152-R155 WeakPolarHBondContact O-CB 3.44Å; E152-R155 PolarHBondContact O-N 3.23Å
153K68.3Low64.6Low150 Ų15080 Ų8065%0.65241%0.409SS*.Hα-helixtrans-57.5-43-176.1-177.4175.5-177.4178.30113Q149 L150Q149-K153 WeakPolarHBondContact O-CB 3.47Å; Q149-K153 PolarHBondContact O-N 2.96Å; L150-K153 PolarHBondContact O-N 3.34Å
154Y65.2Low65.2Low94 Ų9476 Ų7637%0.36939%0.392SS..Hα-helixtrans-99.34.1-174.5-64-76.2000113.9L150 E152 F156 V157 F158L150-Y154 HydrophobicContact CB-CD2 4.44Å; L150-Y154 HydrophobicContact CD2-CD2 4.17Å; L150-Y154 HydrophobicContact CD2-CE2 3.67Å; L150-Y154 VanDerWaalsContact O-CD2 3.28Å; L150-Y154 WeakPolarHBondContact O-CD2 3.42Å; L150-Y154 PolarHBondContact O-N 3.4Å; E152-Y154 VanDerWaalsContact C-N 3.33Å; E152-Y154 PolarHBondContact O-N 3.48Å; Y154-F156 VanDerWaalsContact C-N 3.29Å; Y154-F156 PolarHBondContact O-N 3.13Å; Y154-V157 PolarHBondContact O-N 3.49Å; Y154-V157 VanDerWaalsContact O-N 3.12Å; Y154-F158 VanDerWaalsContact CB-CD2 3.46Å; Y154-F158 HydrophobicContact CG-CE2 4.24Å; Y154-F158 VanDerWaalsContact O-CD2 3.31Å; Y154-F158 WeakPolarHBondContact O-CD2 3.45Å; Y154-F158 PolarHBondContact O-N 3.18Å
155R73.2Confident65.6Low152 Ų15282.5 Ų82.557%0.57441%0.409SS*.Hα-helixtrans-49.1-47.8-177.2-177.1-178.1172.2101.8-4.6113.7C151 E152 K159 Y177C151-R155 WeakPolarHBondContact O-CB 3.48Å; C151-R155 PolarHBondContact O-N 3.38Å; E152-R155 WeakPolarHBondContact O-CB 3.44Å; E152-R155 PolarHBondContact O-N 3.23Å; R155-K159 WeakPolarHBondContact O-CB 3.05Å; R155-K159 PolarHBondContact O-N 3.01Å; R155-Y177 WeakPolarHBondContact CA-OH 3.01Å; R155-Y177 WeakPolarHBondContact CB-OH 3.38Å
156F63.6Low65.9Low77 Ų7778.5 Ų78.534%0.33838%0.384SS..Hα-helixtrans-70.6-41.9-177.4-60.1-75.7000112.1V40 L44 Y154 F158 K159 A160V40-F156 HydrophobicContact CG1-CB 3.59Å; V40-F156 HydrophobicContact CG1-CG 4.31Å; V40-F156 HydrophobicContact CG2-CB 4.14Å; L44-F156 HydrophobicContact CD2-CE2 4.42Å; L44-F156 HydrophobicContact CD2-CZ 4.47Å; Y154-F156 VanDerWaalsContact C-N 3.29Å; Y154-F156 PolarHBondContact O-N 3.13Å; F156-F158 PolarHBondContact O-N 3.01Å; F156-K159 PolarHBondContact O-N 3.21Å; F156-A160 WeakPolarHBondContact O-CB 3.39Å; F156-A160 PolarHBondContact O-N 3.5Å
157V67.7Low66.4Low62 Ų6278.8 Ų78.838%0.37639%0.386SS..Hα-helixtrans-61-45.8177.4-179.30000110.5Y154 A160 S161Y154-V157 PolarHBondContact O-N 3.49Å; Y154-V157 VanDerWaalsContact O-N 3.12Å; V157-A160 PolarHBondContact O-N 3.49Å; V157-S161 WeakPolarHBondContact O-CB 3.5Å; V157-S161 PolarHBondContact O-N 2.92Å; V157-S161 PolarHBondContact O-OG 3.44Å
158F66.6Low66.3Low36 Ų3683.1 Ų83.116%0.15840%0.404CS..Hα-helixtrans-68.7-41.4178.8-83.7-76.9000112.4Y154 F156 A160 S161 C162 Y173 Y177Y154-F158 VanDerWaalsContact CB-CD2 3.46Å; Y154-F158 HydrophobicContact CG-CE2 4.24Å; Y154-F158 VanDerWaalsContact O-CD2 3.31Å; Y154-F158 WeakPolarHBondContact O-CD2 3.45Å; Y154-F158 PolarHBondContact O-N 3.18Å; F156-F158 PolarHBondContact O-N 3.01Å; F158-A160 VanDerWaalsContact C-N 3.26Å; F158-A160 PolarHBondContact O-N 3.16Å; F158-S161 PolarHBondContact O-N 3.11Å; F158-C162 HydrophobicContact CD1-CB 4.36Å; F158-C162 WeakPolarHBondContact CD1-SG 3.22Å; F158-C162 WeakPolarHBondContact O-CA 2.95Å; F158-C162 WeakPolarHBondContact O-CB 3.35Å; F158-C162 PolarHBondContact O-N 3.26Å; F158-Y173 VanDerWaalsContact CE1-C 3.45Å; F158-Y173 WeakPolarHBondContact CE1-O 3.29Å; F158-Y177 HydrophobicContact CB-CD1 3.57Å; F158-Y177 HydrophobicContact CB-CD2 3.89Å; F158-Y177 HydrophobicContact CB-CE1 3.84Å; F158-Y177 HydrophobicContact CB-CE2 4.1Å; F158-Y177 HydrophobicContact CB-CG 3.62Å; F158-Y177 HydrophobicContact CD1-CD1 4.14Å; F158-Y177 HydrophobicContact CD1-CD2 4.06Å; F158-Y177 AromaticContact CD1-CG 3.55Å; F158-Y177 HydrophobicContact CD1-CG 3.55Å; F158-Y177 HydrophobicContact CD2-CD1 4.25Å; F158-Y177 AromaticContact CD2-CD2 3Å; F158-Y177 HydrophobicContact CD2-CD2 3Å; F158-Y177 AromaticContact CD2-CE2 3.56Å; F158-Y177 HydrophobicContact CD2-CE2 3.56Å; F158-Y177 AromaticContact CD2-CG 3.42Å; F158-Y177 HydrophobicContact CD2-CG 3.42Å; F158-Y177 VanDerWaalsContact CD2-CG 3.42Å; F158-Y177 HydrophobicContact CE1-CD2 4.46Å; F158-Y177 HydrophobicContact CE1-CG 4.12Å; F158-Y177 AromaticContact CE2-CD2 3.47Å; F158-Y177 HydrophobicContact CE2-CD2 3.47Å; F158-Y177 VanDerWaalsContact CE2-CD2 3.47Å; F158-Y177 HydrophobicContact CE2-CE2 4.3Å; F158-Y177 AromaticContact CE2-CG 3.95Å; F158-Y177 HydrophobicContact CE2-CG 3.95Å; F158-Y177 VanDerWaalsContact CG-CB 3.45Å; F158-Y177 AromaticContact CG-CD1 3.73Å; F158-Y177 HydrophobicContact CG-CD1 3.73Å; F158-Y177 AromaticContact CG-CD2 3.36Å; F158-Y177 HydrophobicContact CG-CD2 3.36Å; F158-Y177 HydrophobicContact CG-CE1 4.34Å; F158-Y177 AromaticContact CG-CE2 3.99Å; F158-Y177 HydrophobicContact CG-CE2 3.99Å; F158-Y177 AromaticContact CG-CG 3.21Å; F158-Y177 HydrophobicContact CG-CG 3.21Å; F158-Y177 HydrophobicContact CZ-CD2 4.19Å; F158-Y177 HydrophobicContact CZ-CG 4.28Å
159K73Confident66.4Low175 Ų17587.8 Ų87.876%0.76142%0.423SS*.Hα-helixtrans-60.4-37175.9-169.9176.4179.8-176.40112.2R155 F156R155-K159 WeakPolarHBondContact O-CB 3.05Å; R155-K159 PolarHBondContact O-N 3.01Å; F156-K159 PolarHBondContact O-N 3.21Å
160A69.4Low66.5Low49 Ų4985.5 Ų85.541%0.40541%0.414SS..Hα-helixtrans-77-41.5177.100000113.1S36 F156 V157 F158S36-A160 WeakPolarHBondContact OG-CB 3.26Å; F156-A160 WeakPolarHBondContact O-CB 3.39Å; F156-A160 PolarHBondContact O-N 3.5Å; V157-A160 PolarHBondContact O-N 3.49Å; F158-A160 VanDerWaalsContact C-N 3.26Å; F158-A160 PolarHBondContact O-N 3.16Å
161S68.2Low66.7Low54 Ų5482.4 Ų82.438%0.37840%0.396SS..Hα-helixtrans-92.4-17-169.1-52.10000114V157 F158 P163 I170V157-S161 WeakPolarHBondContact O-CB 3.5Å; V157-S161 PolarHBondContact O-N 2.92Å; V157-S161 PolarHBondContact O-OG 3.44Å; F158-S161 PolarHBondContact O-N 3.11Å; S161-P163 VanDerWaalsContact O-CD 3.29Å; S161-P163 WeakPolarHBondContact O-CD 3.44Å; S161-I170 WeakPolarHBondContact O-CD1 3.36Å
162C71.2Confident66.5Low17 Ų1785 Ų8512%0.11541%0.413CS..  trans-123.254.5-170.2-56.70000114F158 G164 C174 R178F158-C162 HydrophobicContact CD1-CB 4.36Å; F158-C162 WeakPolarHBondContact CD1-SG 3.22Å; F158-C162 WeakPolarHBondContact O-CA 2.95Å; F158-C162 WeakPolarHBondContact O-CB 3.35Å; F158-C162 PolarHBondContact O-N 3.26Å; C162-G164 PolarHBondContact O-N 3.03Å; C162-C174 VanDerWaalsContact CA-SG 3.53Å; C162-C174 HydrophobicContact CB-CB 3.45Å; C162-C174 VanDerWaalsContact CB-CB 3.45Å; C162-C174 WeakPolarHBondContact CB-SG 2.95Å; C162-C174 WeakPolarHBondContact SG-CA 3.43Å; C162-C174 WeakPolarHBondContact SG-CB 3.21Å; C162-C174 CovalentContact SG-SG 2.01Å; C162-C174 PolarHBondContact SG-SG 3.48Å; C162-R178 PolarHBondContact O-NH2 2.66Å
163P70.9Confident66.5Low51 Ų5187.3 Ų87.333%0.33142%0.418SS..SBendtrans-69.5-21.3-178.831.3-36.8000112.9S161 Y165 K187S161-P163 VanDerWaalsContact O-CD 3.29Å; S161-P163 WeakPolarHBondContact O-CD 3.44Å; P163-Y165 HydrophobicContact CB-CD1 4.01Å; P163-Y165 HydrophobicContact CB-CE1 3.43Å; P163-Y165 VanDerWaalsContact CB-CE1 3.43Å; P163-Y165 HydrophobicContact CB-CE2 4.42Å; P163-Y165 HydrophobicContact CG-CD1 3.84Å; P163-Y165 HydrophobicContact CG-CD2 3.96Å; P163-Y165 HydrophobicContact CG-CE1 3.46Å; P163-Y165 VanDerWaalsContact CG-CE1 3.46Å; P163-Y165 HydrophobicContact CG-CE2 3.58Å; P163-Y165 HydrophobicContact CG-CG 4.08Å; P163-K187 PolarHBondContact O-NZ 3.27Å
164G63.1Low66.7Low18 Ų1880.2 Ų80.219%0.18639%0.387CS..SBendtrans122.5-10.4-179.400000115.1C162 E166 K187C162-G164 PolarHBondContact O-N 3.03Å; G164-E166 VanDerWaalsContact C-OE2 3.3Å; G164-E166 WeakPolarHBondContact CA-OE2 3.02Å; G164-E166 PolarHBondContact N-OE2 2.85Å; G164-K187 VanDerWaalsContact CA-CD 3.43Å
165Y68.4Low66.9Low189 Ų18977.1 Ų77.174%0.74138%0.377SS*.  trans-112.126.9171.952.5-94.2000111.2P163P163-Y165 HydrophobicContact CB-CD1 4.01Å; P163-Y165 HydrophobicContact CB-CE1 3.43Å; P163-Y165 VanDerWaalsContact CB-CE1 3.43Å; P163-Y165 HydrophobicContact CB-CE2 4.42Å; P163-Y165 HydrophobicContact CG-CD1 3.84Å; P163-Y165 HydrophobicContact CG-CD2 3.96Å; P163-Y165 HydrophobicContact CG-CE1 3.46Å; P163-Y165 VanDerWaalsContact CG-CE1 3.46Å; P163-Y165 HydrophobicContact CG-CE2 3.58Å; P163-Y165 HydrophobicContact CG-CG 4.08Å
166E65Low66.7Low9 Ų973.5 Ų73.54%0.04237%0.372CS..  trans-63.9150.2-179.861.2-89-178.200114G164 I170 R171 C174 R178G164-E166 VanDerWaalsContact C-OE2 3.3Å; G164-E166 WeakPolarHBondContact CA-OE2 3.02Å; G164-E166 PolarHBondContact N-OE2 2.85Å; E166-I170 HydrophobicContact CB-CD1 3.74Å; E166-I170 HydrophobicContact CB-CG1 3.66Å; E166-I170 HydrophobicContact CG-CG1 4.16Å; E166-R171 HydrophobicContact CG-CB 3.84Å; E166-R171 HydrophobicContact CG-CG 4.08Å; E166-R171 PolarHBondContact O-NE 3.1Å; E166-R171 PolarHBondContact O-NH2 3.23Å; E166-C174 HydrophobicContact CG-CB 4.09Å; E166-R178 VanDerWaalsContact CD-NH2 3.35Å; E166-R178 IonicContact OE1-CZ 3.21Å; E166-R178 IonicContact OE1-NH1 3.07Å; E166-R178 PolarHBondContact OE1-NH1 3.12Å; E166-R178 IonicContact OE1-NH2 3.34Å; E166-R178 PolarHBondContact OE1-NH2 3.12Å; E166-R178 IonicContact OE2-CZ 2.94Å; E166-R178 IonicContact OE2-NH1 2.9Å; E166-R178 IonicContact OE2-NH2 3.91Å; E166-R178 PolarHBondContact OE2-NH2 2.96Å
167V62.7Low67.1Low86 Ų8671 Ų7152%0.52136%0.361SS..  trans-62.1150.8176.3-62.60000111.5K169 I170 R171V167-K169 PolarHBondContact O-N 2.94Å; V167-K169 VanDerWaalsContact O-N 3.08Å; V167-I170 HydrophobicContact CG2-CD1 4.24Å; V167-I170 HydrophobicContact CG2-CG1 3.85Å; V167-I170 HydrophobicContact CG2-CG2 4.29Å; V167-I170 PolarHBondContact O-N 2.85Å; V167-R171 PolarHBondContact O-N 3.15Å; V167-R171 VanDerWaalsContact O-N 3.16Å
168Q56.9Low67.4Low121 Ų12168.5 Ų68.557%0.56535%0.345SS*.THydrogen-bonded Turntrans-53.5-35.8-174.8-69.4-172.5-1000113.5I170 P172 I189Q168-I170 VanDerWaalsContact C-N 3.34Å; Q168-I170 PolarHBondContact O-N 3.29Å; Q168-P172 VanDerWaalsContact O-CD 3.23Å; Q168-P172 WeakPolarHBondContact O-CD 3.43Å; Q168-I189 HydrophobicContact CG-CG2 4.1Å
169K63.5Low67.3Low187 Ų18768 Ų6881%0.81334%0.344SS*.THydrogen-bonded Turntrans-62.5-35.3179.7-67.2-174.4180-178.80113.7V167V167-K169 PolarHBondContact O-N 2.94Å; V167-K169 VanDerWaalsContact O-N 3.08Å
170I60.5Low67Low61 Ų6162.2 Ų62.231%0.31332%0.318SS..THydrogen-bonded Turntrans-98.4-15.5-176.770.9173.8000113.1S161 E166 V167 Q168 P172 Y173 C174S161-I170 WeakPolarHBondContact O-CD1 3.36Å; E166-I170 HydrophobicContact CB-CD1 3.74Å; E166-I170 HydrophobicContact CB-CG1 3.66Å; E166-I170 HydrophobicContact CG-CG1 4.16Å; V167-I170 HydrophobicContact CG2-CD1 4.24Å; V167-I170 HydrophobicContact CG2-CG1 3.85Å; V167-I170 HydrophobicContact CG2-CG2 4.29Å; V167-I170 PolarHBondContact O-N 2.85Å; Q168-I170 VanDerWaalsContact C-N 3.34Å; Q168-I170 PolarHBondContact O-N 3.29Å; I170-P172 VanDerWaalsContact C-CD 3.46Å; I170-Y173 WeakPolarHBondContact O-CB 3.24Å; I170-Y173 PolarHBondContact O-N 2.81Å; I170-Y173 VanDerWaalsContact O-N 3.07Å; I170-C174 PolarHBondContact O-N 3.19Å; I170-C174 PolarHBondContact O-SG 3.1Å; I170-C174 VanDerWaalsContact O-SG 3.42Å
171R64.6Low67.1Low18 Ų1861.7 Ų61.77%0.06831%0.311CS..Hα-helixtrans-55-39.6-179-169.5168.6-62.8-130-4.3114.6E166 V167 Y173 C174 N175 M188E166-R171 HydrophobicContact CG-CB 3.84Å; E166-R171 HydrophobicContact CG-CG 4.08Å; E166-R171 PolarHBondContact O-NE 3.1Å; E166-R171 PolarHBondContact O-NH2 3.23Å; V167-R171 PolarHBondContact O-N 3.15Å; V167-R171 VanDerWaalsContact O-N 3.16Å; R171-Y173 VanDerWaalsContact C-N 3.32Å; R171-Y173 PolarHBondContact O-N 3.08Å; R171-C174 PolarHBondContact O-N 2.02Å; R171-N175 WeakPolarHBondContact O-CB 3.37Å; R171-N175 PolarHBondContact O-N 2.81Å; R171-M188 PolarHBondContact NH1-O 2.98Å
172P63.7Low67.3Low73 Ų7362 Ų6247%0.47431%0.313SS..Hα-helixtrans-56-47173.9-26.735.4000112Q168 I170 N175 T176Q168-P172 VanDerWaalsContact O-CD 3.23Å; Q168-P172 WeakPolarHBondContact O-CD 3.43Å; I170-P172 VanDerWaalsContact C-CD 3.46Å; P172-N175 PolarHBondContact O-N 3.32Å; P172-T176 PolarHBondContact O-N 3.24Å; P172-T176 PolarHBondContact O-OG1 3.08Å
173Y70.2Confident67Low154 Ų15463.9 Ų63.960%0.60434%0.335SS*.Hα-helixtrans-63.4-45.9177.7-55.2-85.4000111.5F158 I170 R171 N175 T176 Y177F158-Y173 VanDerWaalsContact CE1-C 3.45Å; F158-Y173 WeakPolarHBondContact CE1-O 3.29Å; I170-Y173 WeakPolarHBondContact O-CB 3.24Å; I170-Y173 PolarHBondContact O-N 2.81Å; I170-Y173 VanDerWaalsContact O-N 3.07Å; R171-Y173 VanDerWaalsContact C-N 3.32Å; R171-Y173 PolarHBondContact O-N 3.08Å; Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 2.84Å; Y173-T176 WeakPolarHBondContact O-CB 3.21Å; Y173-T176 PolarHBondContact O-N 3.42Å; Y173-T176 VanDerWaalsContact O-N 3.12Å; Y173-Y177 PolarHBondContact O-N 3.04Å
174C73.2Confident66.8Low1 Ų166.1 Ų66.11%0.00734%0.341CS..Hα-helixtrans-57.4-42.2177.8-67.40000112.1C162 E166 I170 R171 Y177 R178C162-C174 VanDerWaalsContact CA-SG 3.53Å; C162-C174 HydrophobicContact CB-CB 3.45Å; C162-C174 VanDerWaalsContact CB-CB 3.45Å; C162-C174 WeakPolarHBondContact CB-SG 2.95Å; C162-C174 WeakPolarHBondContact SG-CA 3.43Å; C162-C174 WeakPolarHBondContact SG-CB 3.21Å; C162-C174 CovalentContact SG-SG 2.01Å; C162-C174 PolarHBondContact SG-SG 3.48Å; E166-C174 HydrophobicContact CG-CB 4.09Å; I170-C174 PolarHBondContact O-N 3.19Å; I170-C174 PolarHBondContact O-SG 3.1Å; I170-C174 VanDerWaalsContact O-SG 3.42Å; R171-C174 PolarHBondContact O-N 2.02Å; C174-Y177 PolarHBondContact O-N 3.37Å; C174-R178 VanDerWaalsContact O-CG 3.31Å; C174-R178 WeakPolarHBondContact O-CG 3.36Å; C174-R178 PolarHBondContact O-N 3.29Å
175N69Low66.6Low29 Ų2973.6 Ų73.616%0.15537%0.368CS..Hα-helixtrans-68.3-39.2176.6-76.2-17.7000111.6R171 P172 Y173 Y177 R178 V179 P186 K187R171-N175 WeakPolarHBondContact O-CB 3.37Å; R171-N175 PolarHBondContact O-N 2.81Å; P172-N175 PolarHBondContact O-N 3.32Å; Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 2.84Å; N175-Y177 PolarHBondContact O-N 3.02Å; N175-R178 PolarHBondContact O-N 2.04Å; N175-R178 PolarHBondContact OD1-NH1 3.08Å; N175-V179 WeakPolarHBondContact O-CB 3.3Å; N175-V179 WeakPolarHBondContact O-CG2 3.22Å; N175-V179 PolarHBondContact O-N 3.36Å; N175-P186 HydrophobicContact CB-CB 3.79Å; N175-P186 VanDerWaalsContact CG-CB 3.48Å; N175-P186 WeakPolarHBondContact OD1-CA 3.44Å; N175-K187 PolarHBondContact ND2-O 3.01Å; N175-K187 PolarHBondContact OD1-N 3.46Å; N175-K187 PolarHBondContact OD1-O 3.47Å
176T69.9Low66.3Low76 Ų7666.8 Ų66.847%0.46635%0.347SS..Hα-helixtrans-56.3-51.3171.7-56.30000110.9P172 Y173 R178 V179 Y180P172-T176 PolarHBondContact O-N 3.24Å; P172-T176 PolarHBondContact O-OG1 3.08Å; Y173-T176 WeakPolarHBondContact O-CB 3.21Å; Y173-T176 PolarHBondContact O-N 3.42Å; Y173-T176 VanDerWaalsContact O-N 3.12Å; T176-R178 PolarHBondContact O-N 2.96Å; T176-V179 PolarHBondContact O-N 3.28Å; T176-Y180 HydrophobicContact CG2-CD2 3.65Å; T176-Y180 HydrophobicContact CG2-CE2 4.06Å; T176-Y180 WeakPolarHBondContact O-CB 3Å; T176-Y180 VanDerWaalsContact O-CD2 3.24Å; T176-Y180 WeakPolarHBondContact O-CD2 3.28Å; T176-Y180 PolarHBondContact O-N 2.9Å
177Y71Confident66.1Low25 Ų2570.3 Ų70.310%0.09836%0.363CS..Hα-helixtrans-62.7-44.2179.6-170.6-87.9000112.7C151 R155 F158 Y173 C174 N175 V179 Y180 C181 C182C151-Y177 HydrophobicContact CB-CE2 4.43Å; C151-Y177 WeakPolarHBondContact O-CE2 3.37Å; C151-Y177 PolarHBondContact O-OH 3.11Å; R155-Y177 WeakPolarHBondContact CA-OH 3.01Å; R155-Y177 WeakPolarHBondContact CB-OH 3.38Å; F158-Y177 HydrophobicContact CB-CD1 3.57Å; F158-Y177 HydrophobicContact CB-CD2 3.89Å; F158-Y177 HydrophobicContact CB-CE1 3.84Å; F158-Y177 HydrophobicContact CB-CE2 4.1Å; F158-Y177 HydrophobicContact CB-CG 3.62Å; F158-Y177 HydrophobicContact CD1-CD1 4.14Å; F158-Y177 HydrophobicContact CD1-CD2 4.06Å; F158-Y177 AromaticContact CD1-CG 3.55Å; F158-Y177 HydrophobicContact CD1-CG 3.55Å; F158-Y177 HydrophobicContact CD2-CD1 4.25Å; F158-Y177 AromaticContact CD2-CD2 3Å; F158-Y177 HydrophobicContact CD2-CD2 3Å; F158-Y177 AromaticContact CD2-CE2 3.56Å; F158-Y177 HydrophobicContact CD2-CE2 3.56Å; F158-Y177 AromaticContact CD2-CG 3.42Å; F158-Y177 HydrophobicContact CD2-CG 3.42Å; F158-Y177 VanDerWaalsContact CD2-CG 3.42Å; F158-Y177 HydrophobicContact CE1-CD2 4.46Å; F158-Y177 HydrophobicContact CE1-CG 4.12Å; F158-Y177 AromaticContact CE2-CD2 3.47Å; F158-Y177 HydrophobicContact CE2-CD2 3.47Å; F158-Y177 VanDerWaalsContact CE2-CD2 3.47Å; F158-Y177 HydrophobicContact CE2-CE2 4.3Å; F158-Y177 AromaticContact CE2-CG 3.95Å; F158-Y177 HydrophobicContact CE2-CG 3.95Å; F158-Y177 VanDerWaalsContact CG-CB 3.45Å; F158-Y177 AromaticContact CG-CD1 3.73Å; F158-Y177 HydrophobicContact CG-CD1 3.73Å; F158-Y177 AromaticContact CG-CD2 3.36Å; F158-Y177 HydrophobicContact CG-CD2 3.36Å; F158-Y177 HydrophobicContact CG-CE1 4.34Å; F158-Y177 AromaticContact CG-CE2 3.99Å; F158-Y177 HydrophobicContact CG-CE2 3.99Å; F158-Y177 AromaticContact CG-CG 3.21Å; F158-Y177 HydrophobicContact CG-CG 3.21Å; F158-Y177 HydrophobicContact CZ-CD2 4.19Å; F158-Y177 HydrophobicContact CZ-CG 4.28Å; Y173-Y177 PolarHBondContact O-N 3.04Å; C174-Y177 PolarHBondContact O-N 3.37Å; N175-Y177 PolarHBondContact O-N 3.02Å; Y177-V179 VanDerWaalsContact C-N 3.28Å; Y177-V179 PolarHBondContact O-N 3.48Å; Y177-Y180 PolarHBondContact O-N 2.79Å; Y177-C181 HydrophobicContact CD1-CB 3.92Å; Y177-C181 HydrophobicContact CD2-CB 3.9Å; Y177-C181 WeakPolarHBondContact CD2-SG 3.41Å; Y177-C181 HydrophobicContact CE1-CB 3.72Å; Y177-C181 HydrophobicContact CE2-CB 3.75Å; Y177-C181 WeakPolarHBondContact CE2-SG 3.2Å; Y177-C181 HydrophobicContact CG-CB 3.98Å; Y177-C181 WeakPolarHBondContact O-CA 3.47Å; Y177-C181 WeakPolarHBondContact O-CB 3.01Å; Y177-C181 PolarHBondContact O-N 3.38Å; Y177-C182 VanDerWaalsContact CE1-SG 3.56Å; Y177-C182 PolarHBondContact O-N 2.95Å
178R74.2Confident65.7Low9 Ų973 Ų733%0.03437%0.371CS..Hα-helixtrans-54.9-45.7176.3-77.7177.2-167.1132.44.6112C162 E166 C174 N175 T176 C182 G183 E184C162-R178 PolarHBondContact O-NH2 2.66Å; E166-R178 VanDerWaalsContact CD-NH2 3.35Å; E166-R178 IonicContact OE1-CZ 3.21Å; E166-R178 IonicContact OE1-NH1 3.07Å; E166-R178 PolarHBondContact OE1-NH1 3.12Å; E166-R178 IonicContact OE1-NH2 3.34Å; E166-R178 PolarHBondContact OE1-NH2 3.12Å; E166-R178 IonicContact OE2-CZ 2.94Å; E166-R178 IonicContact OE2-NH1 2.9Å; E166-R178 IonicContact OE2-NH2 3.91Å; E166-R178 PolarHBondContact OE2-NH2 2.96Å; C174-R178 VanDerWaalsContact O-CG 3.31Å; C174-R178 WeakPolarHBondContact O-CG 3.36Å; C174-R178 PolarHBondContact O-N 3.29Å; N175-R178 PolarHBondContact O-N 2.04Å; N175-R178 PolarHBondContact OD1-NH1 3.08Å; T176-R178 PolarHBondContact O-N 2.96Å; R178-C182 CarbonylContact O-C 3.59Å; R178-C182 WeakPolarHBondContact O-CA 3.43Å; R178-C182 WeakPolarHBondContact O-CB 3.35Å; R178-C182 PolarHBondContact O-N 3.42Å; R178-C182 VanDerWaalsContact O-N 3.17Å; R178-G183 PolarHBondContact O-N 3.44Å; R178-E184 HydrophobicContact CB-CB 4.01Å; R178-E184 HydrophobicContact CG-CB 4.45Å; R178-E184 PolarHBondContact O-N 3.08Å
179V65.7Low65.4Low25 Ų2571.4 Ų71.415%0.15237%0.365CS..Hα-helixtrans-71-51.7-177.4173.10000111.3W137 N175 T176 Y177 P186W137-V179 HydrophobicContact CZ2-CB 4.45Å; W137-V179 HydrophobicContact CZ2-CG1 3.83Å; W137-V179 HydrophobicContact CZ2-CG2 3.75Å; N175-V179 WeakPolarHBondContact O-CB 3.3Å; N175-V179 WeakPolarHBondContact O-CG2 3.22Å; N175-V179 PolarHBondContact O-N 3.36Å; T176-V179 PolarHBondContact O-N 3.28Å; Y177-V179 VanDerWaalsContact C-N 3.28Å; Y177-V179 PolarHBondContact O-N 3.48Å; V179-P186 HydrophobicContact CG2-CB 4.45Å
180Y65.7Low64.6Low55 Ų5569.1 Ų69.122%0.21636%0.362CS..Hα-helixtrans-82.9-29.9-170.6-74.4-87.1000113.5S95 A141 T176 Y177S95-Y180 PolarHBondContact OG-OH 3.22Å; S95-Y180 VanDerWaalsContact OG-OH 3.09Å; A141-Y180 HydrophobicContact CB-CD1 3.41Å; A141-Y180 VanDerWaalsContact CB-CD1 3.41Å; A141-Y180 HydrophobicContact CB-CE1 3.78Å; A141-Y180 HydrophobicContact CB-CG 4.24Å; T176-Y180 HydrophobicContact CG2-CD2 3.65Å; T176-Y180 HydrophobicContact CG2-CE2 4.06Å; T176-Y180 WeakPolarHBondContact O-CB 3Å; T176-Y180 VanDerWaalsContact O-CD2 3.24Å; T176-Y180 WeakPolarHBondContact O-CD2 3.28Å; T176-Y180 PolarHBondContact O-N 2.9Å; Y177-Y180 PolarHBondContact O-N 2.79Å
181C71.1Confident63.4Low38 Ų3871.6 Ų71.626%0.25738%0.375SS..Hα-helixtrans-107.8-32.6-173.8-55.10000114.1C151 Y177C151-C181 WeakPolarHBondContact CA-SG 3.44Å; C151-C181 HydrophobicContact CB-CB 3.49Å; C151-C181 VanDerWaalsContact CB-CB 3.49Å; C151-C181 WeakPolarHBondContact CB-SG 3.33Å; C151-C181 WeakPolarHBondContact SG-CA 3.4Å; C151-C181 WeakPolarHBondContact SG-CB 3.32Å; C151-C181 CovalentContact SG-SG 2.02Å; C151-C181 PolarHBondContact SG-SG 2.95Å; Y177-C181 HydrophobicContact CD1-CB 3.92Å; Y177-C181 HydrophobicContact CD2-CB 3.9Å; Y177-C181 WeakPolarHBondContact CD2-SG 3.41Å; Y177-C181 HydrophobicContact CE1-CB 3.72Å; Y177-C181 HydrophobicContact CE2-CB 3.75Å; Y177-C181 WeakPolarHBondContact CE2-SG 3.2Å; Y177-C181 HydrophobicContact CG-CB 3.98Å; Y177-C181 WeakPolarHBondContact O-CA 3.47Å; Y177-C181 WeakPolarHBondContact O-CB 3.01Å; Y177-C181 PolarHBondContact O-N 3.38Å
182C72.2Confident61.7Low60 Ų6073.2 Ų73.241%0.40540%0.398SS..Hα-helixtrans-106.8-11.2-176.3-53.90000113.5Y177 R178 E184Y177-C182 VanDerWaalsContact CE1-SG 3.56Å; Y177-C182 PolarHBondContact O-N 2.95Å; R178-C182 CarbonylContact O-C 3.59Å; R178-C182 WeakPolarHBondContact O-CA 3.43Å; R178-C182 WeakPolarHBondContact O-CB 3.35Å; R178-C182 PolarHBondContact O-N 3.42Å; R178-C182 VanDerWaalsContact O-N 3.17Å; C182-E184 HydrophobicContact CB-CB 4.19Å; C182-E184 HydrophobicContact CB-CG 3.74Å; C182-E184 PolarHBondContact O-N 3.34Å
183G66Low60Low57 Ų5777.2 Ų77.259%0.58842%0.415SS*.  trans6320.6-171.600000113R178R178-G183 PolarHBondContact O-N 3.44Å
184E67.2Low58.1Low97 Ų9776.7 Ų76.745%0.45343%0.427SS..PPolyproline II helixtrans-90.7152.8-178.3-72.1179.6-168.300111.3R178 C182R178-E184 HydrophobicContact CB-CB 4.01Å; R178-E184 HydrophobicContact CG-CB 4.45Å; R178-E184 PolarHBondContact O-N 3.08Å; C182-E184 HydrophobicContact CB-CB 4.19Å; C182-E184 HydrophobicContact CB-CG 3.74Å; C182-E184 PolarHBondContact O-N 3.34Å
185K57.3Low55.7Low175 Ų17580.9 Ų80.976%0.76146%0.463SS*.PPolyproline II helixtrans-68.3143170.263.4-177.6179.8179.70110.7
186P62Low54Low47 Ų4789.2 Ų89.231%0.30551%0.514SS..PPolyproline II helixtrans-61.5146.2174.126.9-34.2000110.7N175 V179N175-P186 HydrophobicContact CB-CB 3.79Å; N175-P186 VanDerWaalsContact CG-CB 3.48Å; N175-P186 WeakPolarHBondContact OD1-CA 3.44Å; V179-P186 HydrophobicContact CG2-CB 4.45Å
187K61.6Low53.2Low83 Ų8389.9 Ų89.936%0.36152%0.516SS..PPolyproline II helixtrans-89.8124.8172.3-62.2-176.2-176.8-179.10108.5P163 G164 N175P163-K187 PolarHBondContact O-NZ 3.27Å; G164-K187 VanDerWaalsContact CA-CD 3.43Å; N175-K187 PolarHBondContact ND2-O 3.01Å; N175-K187 PolarHBondContact OD1-N 3.46Å; N175-K187 PolarHBondContact OD1-O 3.47Å
188M54.3Low52.2Low141 Ų14193.3 Ų93.370%0.69554%0.538SS*.PPolyproline II helixtrans-65.4145-175.5-62.8-172.9-6200111.3R171 L190R171-M188 PolarHBondContact NH1-O 2.98Å; M188-L190 PolarHBondContact O-N 3.47Å; M188-L190 VanDerWaalsContact O-N 3.13Å
189I51.4Low51Low88 Ų8897.9 Ų97.945%0.45157%0.566SS.*  trans-59.4114.6167.5-62.5160.3000107Q168 D191Q168-I189 HydrophobicContact CG-CG2 4.1Å; I189-D191 VanDerWaalsContact C-N 3.29Å; I189-D191 PolarHBondContact O-N 3.08Å
190L45Very low50.1Low140 Ų140102.2 Ų102.273%0.73359%0.591SS**  trans-72.795.6164.3-70.7167.1000105.6M188 G192M188-L190 PolarHBondContact O-N 3.47Å; M188-L190 VanDerWaalsContact O-N 3.13Å; L190-G192 PolarHBondContact O-N 2.62Å; L190-G192 VanDerWaalsContact O-N 3.13Å
191D35.6Very low49.2Very low112 Ų112105.2 Ų105.260%0.59961%0.614SS**  trans-63.6104.4162-76-34.7000106.6K103 I189K103-D191 IonicContact NZ-OD2 2.71Å; K103-D191 PolarHBondContact NZ-OD2 3.43Å; I189-D191 VanDerWaalsContact C-N 3.29Å; I189-D191 PolarHBondContact O-N 3.08Å
192G29.3Very low47.7Very low52 Ų52109.7 Ų109.754%0.53664%0.638SS.*SBendtrans131.9107.7171.400000114.2L190L190-G192 PolarHBondContact O-N 2.62Å; L190-G192 VanDerWaalsContact O-N 3.13Å
193N27.3Very low45.9Very low158 Ų158113.2 Ų113.285%0.84565%0.654SS**  trans53.382.2149.4-52.3-21.3000116.8A195N193-A195 PolarHBondContact O-N 3.13Å; N193-A195 VanDerWaalsContact O-N 3.14Å
194V31.8Very low44.4Very low142 Ų142117.5 Ų117.586%0.86166%0.66SS**  trans-80.580.3143.1-173.60000105.9V196V194-V196 PolarHBondContact O-N 3.04Å
195A23.3Very low42.5Very low90 Ų90119.3 Ų119.374%0.74468%0.677SS**  trans-76.998158.600000106.5N193N193-A195 PolarHBondContact O-N 3.13Å; N193-A195 VanDerWaalsContact O-N 3.14Å
196V31.2Very low41.2Very low203 Ų203114.2 Ų114.2100%1.2367%0.669SS**  trans-137.80149.4-175.70000106.3V194V194-V196 PolarHBondContact O-N 3.04Å

Retrieved 196 of 196 residues in 85.7 ms (Link to these results)

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