A0A087XI85_POEFO Loading...

Ankyrin repeat domain-containing protein 16

Required to prevent the misactivation of serine (Ser) with tRNA(Ala) by promoting the hydrolysis of Ser-mischarged tRNA(Ala), thereby playing a role in translational fidelity. Binds directly to the catalytic domain of AARS/AlaRS and captures Ser that is misactivated by AARS/AlaRS, preventing the charging of Ser adenylates to tRNA(Ala) and precluding Ser misincorporation in nascent peptides.

AlphaFold DB , UniProt , Accession A0A087XI85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 375 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
1M61.8Low84.4Confident107 Ų10768.1 Ų68.153%0.52735%0.354SS..  0117.80-68.6178.3-90.900107.7L6 W28 A32M1-L6 HydrophobicContact CB-CD1 4.39Å; M1-L6 HydrophobicContact CB-CG 4.4Å; M1-L6 HydrophobicContact SD-CD2 4.01Å; M1-W28 HydrophobicContact CB-CH2 4.48Å; M1-W28 HydrophobicContact CG-CE3 4Å; M1-W28 HydrophobicContact CG-CH2 3.9Å; M1-W28 HydrophobicContact CG-CZ3 3.6Å; M1-W28 HydrophobicContact SD-CE3 4.09Å; M1-W28 HydrophobicContact SD-CH2 4Å; M1-W28 HydrophobicContact SD-CZ3 3.39Å; M1-W28 WeakPolarHBondContact SD-CZ3 3.49Å; M1-A32 HydrophobicContact CG-CB 4.27Å
2D75.6Confident85.4Confident112 Ų11263.8 Ų63.860%0.59933%0.331SS*.  trans-82.9160.8173.867.2-12000110.7G4 G5 L6D2-G4 PolarHBondContact O-N 3.13Å; D2-G5 PolarHBondContact O-N 3.27Å; D2-G5 WeakPolarHBondContact OD1-CA 3.38Å; D2-G5 PolarHBondContact OD1-N 3.09Å; D2-L6 PolarHBondContact O-N 3.08Å
3E77.6Confident86.3Confident135 Ų13558.8 Ų58.863%0.63131%0.306SS*.Hα-helixtrans-65-28.2-178.2-160.9-172149.600112K7E3-K7 WeakPolarHBondContact O-CG 3.24Å; E3-K7 PolarHBondContact O-N 2.79Å; E3-K7 WeakPolarHBondContact OE1-CE 3.43Å; E3-K7 IonicContact OE1-NZ 2.7Å; E3-K7 PolarHBondContact OE1-NZ 3.07Å
4G81.4Confident87Confident44 Ų4459.6 Ų59.645%0.45431%0.307SS..Hα-helixtrans-66.1-48.3176.900000113.1D2 L6 K7 L8D2-G4 PolarHBondContact O-N 3.13Å; G4-L6 VanDerWaalsContact C-N 3.33Å; G4-L6 PolarHBondContact O-N 2.67Å; G4-K7 PolarHBondContact O-N 3.35Å; G4-L8 PolarHBondContact O-N 3.12Å
5G84Confident87.7Confident5 Ų560.9 Ų60.95%0.05231%0.311CS..Hα-helixtrans-62.4-39.4177.800000112.7D2 L8 L9D2-G5 PolarHBondContact O-N 3.27Å; D2-G5 WeakPolarHBondContact OD1-CA 3.38Å; D2-G5 PolarHBondContact OD1-N 3.09Å; G5-L8 PolarHBondContact O-N 3Å; G5-L9 WeakPolarHBondContact O-CG 3.47Å; G5-L9 PolarHBondContact O-N 3.37Å
6L85.8Confident88.3Confident21 Ų2158.3 Ų58.311%0.1130%0.303CS..Hα-helixtrans-64.5-41176.5-70.2170.2000112.8M1 D2 G4 L8 L9 A10 W28 K39 F41M1-L6 HydrophobicContact CB-CD1 4.39Å; M1-L6 HydrophobicContact CB-CG 4.4Å; M1-L6 HydrophobicContact SD-CD2 4.01Å; D2-L6 PolarHBondContact O-N 3.08Å; G4-L6 VanDerWaalsContact C-N 3.33Å; G4-L6 PolarHBondContact O-N 2.67Å; L6-L8 VanDerWaalsContact C-N 3.33Å; L6-L9 HydrophobicContact CD2-CD1 4.44Å; L6-L9 PolarHBondContact O-N 3.19Å; L6-A10 PolarHBondContact O-N 2.93Å; L6-W28 HydrophobicContact CD2-CH2 4.1Å; L6-K39 HydrophobicContact CD1-CD 4.4Å; L6-K39 HydrophobicContact CD2-CD 3.76Å; L6-F41 HydrophobicContact CB-CE1 4.06Å; L6-F41 HydrophobicContact CD2-CE1 3.98Å; L6-F41 HydrophobicContact CD2-CZ 4.3Å; L6-F41 WeakPolarHBondContact O-CE1 3.47Å
7K88.7Confident88.8Confident130 Ų13062.9 Ų62.957%0.56532%0.316SS*.Hα-helixtrans-64.9-39174.3-74.7173.7-176.3166.80111.6E3 G4 A10 K11E3-K7 WeakPolarHBondContact O-CG 3.24Å; E3-K7 PolarHBondContact O-N 2.79Å; E3-K7 WeakPolarHBondContact OE1-CE 3.43Å; E3-K7 IonicContact OE1-NZ 2.7Å; E3-K7 PolarHBondContact OE1-NZ 3.07Å; G4-K7 PolarHBondContact O-N 3.35Å; K7-A10 PolarHBondContact O-N 3.27Å; K7-K11 PolarHBondContact O-N 3.24Å; K7-K11 VanDerWaalsContact O-N 3.07Å
8L92.3Very high89.2Confident70 Ų7061.2 Ų61.237%0.36631%0.308SS..Hα-helixtrans-64.1-43.3176.7-17860.4000111.6G4 G5 L6 A10 K11 L12G4-L8 PolarHBondContact O-N 3.12Å; G5-L8 PolarHBondContact O-N 3Å; L6-L8 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 3.32Å; L8-K11 WeakPolarHBondContact O-CB 3.45Å; L8-K11 PolarHBondContact O-N 3.04Å; L8-L12 HydrophobicContact CD1-CD1 4.2Å; L8-L12 HydrophobicContact CD1-CD2 4.36Å; L8-L12 HydrophobicContact CD1-CG 4Å; L8-L12 HydrophobicContact CG-CD1 3.93Å; L8-L12 HydrophobicContact CG-CG 4.18Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.27Å; L8-L12 PolarHBondContact O-N 3.29Å
9L92.2Very high89.5Confident0 Ų063.8 Ų63.80%032%0.322CS..Hα-helixtrans-57.2-49175.6-74.2176.6000112.5G5 L6 K11 L12 T13 L21 I25 W28 V36 L48G5-L9 WeakPolarHBondContact O-CG 3.47Å; G5-L9 PolarHBondContact O-N 3.37Å; L6-L9 HydrophobicContact CD2-CD1 4.44Å; L6-L9 PolarHBondContact O-N 3.19Å; L9-K11 VanDerWaalsContact C-N 3.28Å; L9-K11 PolarHBondContact O-N 3.16Å; L9-L12 PolarHBondContact O-N 3.17Å; L9-T13 WeakPolarHBondContact O-CB 3.1Å; L9-T13 PolarHBondContact O-N 3.12Å; L9-T13 PolarHBondContact O-OG1 2.88Å; L9-L21 HydrophobicContact CB-CD1 4.49Å; L9-L21 HydrophobicContact CD2-CD1 3.49Å; L9-L21 VanDerWaalsContact CD2-CD1 3.49Å; L9-I25 HydrophobicContact CD2-CD1 4.08Å; L9-I25 HydrophobicContact CD2-CG1 3.67Å; L9-W28 HydrophobicContact CD1-CH2 3.28Å; L9-W28 HydrophobicContact CD1-CZ2 3.96Å; L9-W28 HydrophobicContact CD1-CZ3 3.72Å; L9-W28 HydrophobicContact CG-CH2 4.19Å; L9-W28 HydrophobicContact CG-CZ2 4.43Å; L9-V36 HydrophobicContact CD1-CG2 3.42Å; L9-V36 VanDerWaalsContact CD1-CG2 3.42Å; L9-L48 HydrophobicContact CB-CD1 4.38Å; L9-L48 HydrophobicContact CB-CD2 4.32Å
10A93.6Very high89.8Confident11 Ų1163.5 Ų63.59%0.09133%0.325CS..Hα-helixtrans-58.4-43.8177.800000111L6 K7 L8 T13 Q14 F41 L48 Y51L6-A10 PolarHBondContact O-N 2.93Å; K7-A10 PolarHBondContact O-N 3.27Å; L8-A10 PolarHBondContact O-N 3.32Å; A10-T13 PolarHBondContact O-N 2.95Å; A10-Q14 VanDerWaalsContact O-CG 3.23Å; A10-Q14 WeakPolarHBondContact O-CG 3.46Å; A10-Q14 PolarHBondContact O-N 3.47Å; A10-F41 HydrophobicContact CB-CD1 4.25Å; A10-L48 HydrophobicContact CB-CD2 4.45Å; A10-Y51 HydrophobicContact CB-CD2 4.34Å; A10-Y51 HydrophobicContact CB-CE2 3.98Å
11K95.7Very high90Very high114 Ų11460.4 Ų60.450%0.49631%0.309SS..Hα-helixtrans-62.6-49.8176.7-175.7178.9178.7178.80112.5K7 L8 L9 T13 Q14 E15K7-K11 PolarHBondContact O-N 3.24Å; K7-K11 VanDerWaalsContact O-N 3.07Å; L8-K11 WeakPolarHBondContact O-CB 3.45Å; L8-K11 PolarHBondContact O-N 3.04Å; L9-K11 VanDerWaalsContact C-N 3.28Å; L9-K11 PolarHBondContact O-N 3.16Å; K11-T13 PolarHBondContact O-N 3.05Å; K11-Q14 PolarHBondContact O-N 2.67Å; K11-E15 WeakPolarHBondContact CE-OE1 3.42Å; K11-E15 WeakPolarHBondContact CG-OE1 3.45Å; K11-E15 IonicContact NZ-OE1 2.83Å; K11-E15 WeakPolarHBondContact O-CB 3.39Å; K11-E15 WeakPolarHBondContact O-CG 3.29Å; K11-E15 PolarHBondContact O-N 2.84Å
12L96.7Very high91.5Very high16 Ų1658.5 Ų58.58%0.08430%0.299CS..Hα-helixtrans-61.2-36.9179.7-68.6175.6000111.8L8 L9 E15 G16 R17 C20 L21 H24L8-L12 HydrophobicContact CD1-CD1 4.2Å; L8-L12 HydrophobicContact CD1-CD2 4.36Å; L8-L12 HydrophobicContact CD1-CG 4Å; L8-L12 HydrophobicContact CG-CD1 3.93Å; L8-L12 HydrophobicContact CG-CG 4.18Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.27Å; L8-L12 PolarHBondContact O-N 3.29Å; L9-L12 PolarHBondContact O-N 3.17Å; L12-E15 PolarHBondContact O-N 3.32Å; L12-G16 PolarHBondContact O-N 3.19Å; L12-G16 VanDerWaalsContact O-N 3.14Å; L12-R17 HydrophobicContact CD2-CB 4.03Å; L12-R17 HydrophobicContact CD2-CG 4.46Å; L12-R17 PolarHBondContact O-N 2.97Å; L12-C20 HydrophobicContact CD1-CB 4.09Å; L12-C20 HydrophobicContact CD2-CB 3.82Å; L12-L21 HydrophobicContact CB-CB 4.44Å; L12-L21 HydrophobicContact CB-CD1 4.22Å; L12-H24 HydrophobicContact CD1-CB 4.5Å
13T96.6Very high92.3Very high0 Ų060.2 Ų60.20%030%0.301CS..Hα-helixtrans-66.9-46176-570000111.3L9 A10 K11 E15 G16 L48 A52 H57 V60L9-T13 WeakPolarHBondContact O-CB 3.1Å; L9-T13 PolarHBondContact O-N 3.12Å; L9-T13 PolarHBondContact O-OG1 2.88Å; A10-T13 PolarHBondContact O-N 2.95Å; K11-T13 PolarHBondContact O-N 3.05Å; T13-E15 VanDerWaalsContact C-N 3.26Å; T13-E15 PolarHBondContact O-N 2.87Å; T13-G16 PolarHBondContact O-N 2.92Å; T13-L48 HydrophobicContact CG2-CB 4.04Å; T13-L48 HydrophobicContact CG2-CD2 4.42Å; T13-L48 WeakPolarHBondContact CG2-O 3.32Å; T13-A52 HydrophobicContact CG2-CB 4.02Å; T13-H57 PolarHBondContact O-CD2 3.45Å; T13-V60 HydrophobicContact CG2-CG1 3.96Å
14Q96.3Very high92.8Very high70 Ų7055.9 Ų55.933%0.32728%0.281SS..Hα-helixtrans-63.8-31.7176.8-71.3167.915.100112.7A10 K11 Y51 H57A10-Q14 VanDerWaalsContact O-CG 3.23Å; A10-Q14 WeakPolarHBondContact O-CG 3.46Å; A10-Q14 PolarHBondContact O-N 3.47Å; K11-Q14 PolarHBondContact O-N 2.67Å; Q14-Y51 HydrophobicContact CG-CD1 3.88Å; Q14-Y51 HydrophobicContact CG-CD2 4.43Å; Q14-Y51 HydrophobicContact CG-CG 3.81Å; Q14-Y51 VanDerWaalsContact NE2-CE1 3.28Å; Q14-H57 PolarHBondContact O-NE2 3.43Å
15E97.5Very high93.2Very high79 Ų7954 Ų5437%0.36926%0.261SS..THydrogen-bonded Turntrans-86.9-1.9177.8-68.2-178.9-164.600113.9K11 L12 T13 R17K11-E15 WeakPolarHBondContact CE-OE1 3.42Å; K11-E15 WeakPolarHBondContact CG-OE1 3.45Å; K11-E15 IonicContact NZ-OE1 2.83Å; K11-E15 WeakPolarHBondContact O-CB 3.39Å; K11-E15 WeakPolarHBondContact O-CG 3.29Å; K11-E15 PolarHBondContact O-N 2.84Å; L12-E15 PolarHBondContact O-N 3.32Å; T13-E15 VanDerWaalsContact C-N 3.26Å; T13-E15 PolarHBondContact O-N 2.87Å; E15-R17 VanDerWaalsContact C-N 3.29Å; E15-R17 HydrophobicContact CB-CG 4.01Å; E15-R17 PolarHBondContact O-N 2.71Å; E15-R17 IonicContact OE2-CZ 2.65Å; E15-R17 IonicContact OE2-NE 3.86Å; E15-R17 PolarHBondContact OE2-NE 3.42Å; E15-R17 IonicContact OE2-NH2 3.41Å; E15-R17 PolarHBondContact OE2-NH2 3.49Å
16G96.5Very high93.3Very high18 Ų1857.9 Ų57.919%0.18629%0.292CS..THydrogen-bonded Turntrans68.323.7179.700000114.1L12 T13 L18 H57L12-G16 PolarHBondContact O-N 3.19Å; L12-G16 VanDerWaalsContact O-N 3.14Å; T13-G16 PolarHBondContact O-N 2.92Å; G16-L18 VanDerWaalsContact C-N 3.32Å; G16-L18 PolarHBondContact O-N 2.94Å; G16-H57 VanDerWaalsContact CA-CD2 3.48Å; G16-H57 WeakPolarHBondContact CA-CD2 3.35Å; G16-H57 VanDerWaalsContact CA-CG 3.47Å; G16-H57 PolarHBondContact N-CD2 3.13Å; G16-H57 PolarHBondContact N-NE2 2.99Å
17R97.2Very high93.3Very high137 Ų13761.1 Ų61.152%0.51732%0.316SS..  trans-86.167.1-176.2-62.4-166.2-165.6-151.33.8112.1L12 E15 I19 C20 L21L12-R17 HydrophobicContact CD2-CB 4.03Å; L12-R17 HydrophobicContact CD2-CG 4.46Å; L12-R17 PolarHBondContact O-N 2.97Å; E15-R17 VanDerWaalsContact C-N 3.29Å; E15-R17 HydrophobicContact CB-CG 4.01Å; E15-R17 PolarHBondContact O-N 2.71Å; E15-R17 IonicContact OE2-CZ 2.65Å; E15-R17 IonicContact OE2-NE 3.86Å; E15-R17 PolarHBondContact OE2-NE 3.42Å; E15-R17 IonicContact OE2-NH2 3.41Å; E15-R17 PolarHBondContact OE2-NH2 3.49Å; R17-I19 PolarHBondContact O-N 3.22Å; R17-C20 HydrophobicContact CB-CB 4.05Å; R17-C20 PolarHBondContact O-N 3.21Å; R17-C20 VanDerWaalsContact O-N 3.14Å; R17-L21 WeakPolarHBondContact O-CB 3.18Å; R17-L21 PolarHBondContact O-N 3.19Å
18L96.1Very high93.1Very high32 Ų3257.2 Ų57.217%0.16830%0.298CS..Hα-helixtrans-51.7-48.5-175.5176.860.2000113.6G16 C20 L21 Q22 D59 V60 F63G16-L18 VanDerWaalsContact C-N 3.32Å; G16-L18 PolarHBondContact O-N 2.94Å; L18-C20 VanDerWaalsContact C-N 3.32Å; L18-C20 PolarHBondContact O-N 3.38Å; L18-L21 WeakPolarHBondContact O-CB 3.23Å; L18-L21 PolarHBondContact O-N 3.08Å; L18-L21 VanDerWaalsContact O-N 3.15Å; L18-Q22 HydrophobicContact CD1-CG 3.87Å; L18-Q22 HydrophobicContact CG-CG 4.34Å; L18-Q22 WeakPolarHBondContact O-CB 3.39Å; L18-Q22 WeakPolarHBondContact O-CG 3.23Å; L18-Q22 PolarHBondContact O-N 3.45Å; L18-D59 WeakPolarHBondContact CB-OD2 3.43Å; L18-D59 HydrophobicContact CD2-CB 3.97Å; L18-V60 HydrophobicContact CB-CG2 4.09Å; L18-V60 HydrophobicContact CD1-CG2 4.47Å; L18-F63 HydrophobicContact CD1-CB 3.57Å; L18-F63 HydrophobicContact CD1-CD1 3.85Å; L18-F63 HydrophobicContact CD1-CD2 4.37Å; L18-F63 HydrophobicContact CD1-CG 3.66Å
19I95.8Very high92.7Very high111 Ų11156.8 Ų56.857%0.56930%0.3SS*.Hα-helixtrans-61.4-41.8-178.1-60.6174.1000111.4R17 K23R17-I19 PolarHBondContact O-N 3.22Å; I19-K23 HydrophobicContact CG2-CD 4.28Å; I19-K23 WeakPolarHBondContact O-CB 3.27Å; I19-K23 VanDerWaalsContact O-CG 3.31Å; I19-K23 WeakPolarHBondContact O-CG 3.44Å; I19-K23 PolarHBondContact O-N 3.3Å
20C94.9Very high92.2Very high57 Ų5760.5 Ų60.539%0.38533%0.331SS..Hα-helixtrans-68.6-39.7177.5-66.80000111.1L12 R17 L18 K23 H24L12-C20 HydrophobicContact CD1-CB 4.09Å; L12-C20 HydrophobicContact CD2-CB 3.82Å; R17-C20 HydrophobicContact CB-CB 4.05Å; R17-C20 PolarHBondContact O-N 3.21Å; R17-C20 VanDerWaalsContact O-N 3.14Å; L18-C20 VanDerWaalsContact C-N 3.32Å; L18-C20 PolarHBondContact O-N 3.38Å; C20-K23 PolarHBondContact O-N 3.04Å; C20-H24 WeakPolarHBondContact O-CB 3.32Å; C20-H24 PolarHBondContact O-N 3.48Å
21L93.6Very high91.5Very high0 Ų066.6 Ų66.60%036%0.358CS..Hα-helixtrans-60.2-51.2176.4-175.471.5000110.8L9 L12 R17 L18 K23 H24 I25 V60 F63L9-L21 HydrophobicContact CB-CD1 4.49Å; L9-L21 HydrophobicContact CD2-CD1 3.49Å; L9-L21 VanDerWaalsContact CD2-CD1 3.49Å; L12-L21 HydrophobicContact CB-CB 4.44Å; L12-L21 HydrophobicContact CB-CD1 4.22Å; R17-L21 WeakPolarHBondContact O-CB 3.18Å; R17-L21 PolarHBondContact O-N 3.19Å; L18-L21 WeakPolarHBondContact O-CB 3.23Å; L18-L21 PolarHBondContact O-N 3.08Å; L18-L21 VanDerWaalsContact O-N 3.15Å; L21-K23 PolarHBondContact O-N 3.46Å; L21-H24 PolarHBondContact O-N 3.1Å; L21-I25 HydrophobicContact CD1-CD1 4.11Å; L21-I25 HydrophobicContact CG-CD1 3.92Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 3.13Å; L21-V60 HydrophobicContact CD2-CG1 3.75Å; L21-F63 HydrophobicContact CD2-CD1 4.25Å; L21-F63 HydrophobicContact CD2-CE1 4.38Å
22Q93.2Very high90.8Very high66 Ų6662 Ų6231%0.30834%0.341SS..Hα-helixtrans-57.7-47.7177-75.1174.9-22.100112.1L18 H24 I25 A26 F63L18-Q22 HydrophobicContact CD1-CG 3.87Å; L18-Q22 HydrophobicContact CG-CG 4.34Å; L18-Q22 WeakPolarHBondContact O-CB 3.39Å; L18-Q22 WeakPolarHBondContact O-CG 3.23Å; L18-Q22 PolarHBondContact O-N 3.45Å; Q22-H24 VanDerWaalsContact C-N 3.3Å; Q22-H24 PolarHBondContact O-N 2.93Å; Q22-I25 PolarHBondContact O-N 3.37Å; Q22-A26 WeakPolarHBondContact O-CB 3.47Å; Q22-A26 PolarHBondContact O-N 3.24Å; Q22-F63 HydrophobicContact CG-CD1 4.41Å; Q22-F63 HydrophobicContact CG-CD2 3.99Å; Q22-F63 HydrophobicContact CG-CE1 4.1Å; Q22-F63 HydrophobicContact CG-CE2 3.67Å; Q22-F63 HydrophobicContact CG-CG 4.36Å; Q22-F63 HydrophobicContact CG-CZ 3.73Å
23K92.3Very high90Very high148 Ų14862.6 Ų62.664%0.64335%0.345SS*.Hα-helixtrans-60.6-40.5177-75.5176.6-178.8-179.70112.3I19 C20 L21 S27I19-K23 HydrophobicContact CG2-CD 4.28Å; I19-K23 WeakPolarHBondContact O-CB 3.27Å; I19-K23 VanDerWaalsContact O-CG 3.31Å; I19-K23 WeakPolarHBondContact O-CG 3.44Å; I19-K23 PolarHBondContact O-N 3.3Å; C20-K23 PolarHBondContact O-N 3.04Å; L21-K23 PolarHBondContact O-N 3.46Å; K23-S27 PolarHBondContact O-N 3.39Å
24H89.6Confident89.1Confident44 Ų4465.8 Ų65.820%0.20437%0.372CS..Hα-helixtrans-67.2-45.3179.4-16467.2000110.8L12 C20 L21 Q22 S27 W28L12-H24 HydrophobicContact CD1-CB 4.5Å; C20-H24 WeakPolarHBondContact O-CB 3.32Å; C20-H24 PolarHBondContact O-N 3.48Å; L21-H24 PolarHBondContact O-N 3.1Å; Q22-H24 VanDerWaalsContact C-N 3.3Å; Q22-H24 PolarHBondContact O-N 2.93Å; H24-S27 PolarHBondContact O-N 2.73Å; H24-S27 PolarHBondContact O-OG 2.82Å; H24-W28 AromaticContact CD2-CZ2 3.93Å; H24-W28 AromaticContact CD2-NE1 4Å; H24-W28 AromaticContact NE2-CZ2 3.69Å; H24-W28 AromaticContact NE2-NE1 3.8Å; H24-W28 VanDerWaalsContact O-CD1 3.29Å; H24-W28 PolarHBondContact O-NE1 3.11Å
25I88.7Confident88.4Confident6 Ų665.2 Ų65.23%0.03138%0.376CS..Hα-helixtrans-66.8-38.9178.2-66.8171.9000111.7L9 L21 Q22 S27 W28 T33 F63 L68L9-I25 HydrophobicContact CD2-CD1 4.08Å; L9-I25 HydrophobicContact CD2-CG1 3.67Å; L21-I25 HydrophobicContact CD1-CD1 4.11Å; L21-I25 HydrophobicContact CG-CD1 3.92Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 3.13Å; Q22-I25 PolarHBondContact O-N 3.37Å; I25-S27 PolarHBondContact O-N 3.37Å; I25-S27 VanDerWaalsContact O-N 3.09Å; I25-W28 VanDerWaalsContact O-CB 3.31Å; I25-W28 WeakPolarHBondContact O-CB 3.24Å; I25-W28 PolarHBondContact O-N 2.95Å; I25-T33 HydrophobicContact CG2-CG2 3.54Å; I25-F63 HydrophobicContact CD1-CE1 3.93Å; I25-F63 HydrophobicContact CD1-CZ 4.43Å; I25-L68 HydrophobicContact CD1-CD1 3.89Å
26A86.7Confident87.8Confident86 Ų8661.5 Ų61.571%0.71136%0.358SS*.Hα-helixtrans-62.6-18.4178.600000113.9Q22 W28Q22-A26 WeakPolarHBondContact O-CB 3.47Å; Q22-A26 PolarHBondContact O-N 3.24Å; A26-W28 VanDerWaalsContact C-N 3.28Å
27S85.6Confident87Confident88 Ų8861.4 Ų61.462%0.61536%0.355SS*.THydrogen-bonded Turntrans-82.6-3.7174690000113.8K23 H24 I25K23-S27 PolarHBondContact O-N 3.39Å; H24-S27 PolarHBondContact O-N 2.73Å; H24-S27 PolarHBondContact O-OG 2.82Å; I25-S27 PolarHBondContact O-N 3.37Å; I25-S27 VanDerWaalsContact O-N 3.09Å
28W84.6Confident86.4Confident49 Ų4957 Ų5719%0.18635%0.352CS..SBendtrans-98.2162-177.1-65.313000111.7M1 L6 L9 H24 I25 A26 A32 V36M1-W28 HydrophobicContact CB-CH2 4.48Å; M1-W28 HydrophobicContact CG-CE3 4Å; M1-W28 HydrophobicContact CG-CH2 3.9Å; M1-W28 HydrophobicContact CG-CZ3 3.6Å; M1-W28 HydrophobicContact SD-CE3 4.09Å; M1-W28 HydrophobicContact SD-CH2 4Å; M1-W28 HydrophobicContact SD-CZ3 3.39Å; M1-W28 WeakPolarHBondContact SD-CZ3 3.49Å; L6-W28 HydrophobicContact CD2-CH2 4.1Å; L9-W28 HydrophobicContact CD1-CH2 3.28Å; L9-W28 HydrophobicContact CD1-CZ2 3.96Å; L9-W28 HydrophobicContact CD1-CZ3 3.72Å; L9-W28 HydrophobicContact CG-CH2 4.19Å; L9-W28 HydrophobicContact CG-CZ2 4.43Å; H24-W28 AromaticContact CD2-CZ2 3.93Å; H24-W28 AromaticContact CD2-NE1 4Å; H24-W28 AromaticContact NE2-CZ2 3.69Å; H24-W28 AromaticContact NE2-NE1 3.8Å; H24-W28 VanDerWaalsContact O-CD1 3.29Å; H24-W28 PolarHBondContact O-NE1 3.11Å; I25-W28 VanDerWaalsContact O-CB 3.31Å; I25-W28 WeakPolarHBondContact O-CB 3.24Å; I25-W28 PolarHBondContact O-N 2.95Å; A26-W28 VanDerWaalsContact C-N 3.28Å; W28-A32 HydrophobicContact CB-CB 4.15Å; W28-A32 HydrophobicContact CE3-CB 4.14Å; W28-V36 HydrophobicContact CZ3-CB 4.46Å; W28-V36 HydrophobicContact CZ3-CG2 4Å
29S83.6Confident86.2Confident60 Ų6058.6 Ų58.642%0.4236%0.357SS..  trans-68.1161.6173.184.90000111.3E31 A32 T33S29-E31 VanDerWaalsContact C-N 3.27Å; S29-E31 VanDerWaalsContact CB-OE2 3.24Å; S29-E31 WeakPolarHBondContact CB-OE2 3.45Å; S29-E31 PolarHBondContact O-N 3Å; S29-E31 PolarHBondContact OG-OE2 3.5Å; S29-A32 PolarHBondContact O-N 3.3Å; S29-A32 PolarHBondContact OG-N 3.06Å; S29-T33 WeakPolarHBondContact O-CB 3.28Å; S29-T33 PolarHBondContact O-N 3.05Å; S29-T33 PolarHBondContact O-OG1 2.84Å
30A81.6Confident86.1Confident78 Ų7857.6 Ų57.665%0.64535%0.35SS*.Hα-helixtrans-59.1-40177.200000111.7T33 A34A30-T33 PolarHBondContact O-N 3.05Å; A30-A34 WeakPolarHBondContact O-CB 3.44Å; A30-A34 PolarHBondContact O-N 2.88Å
31E79.1Confident86Confident140 Ų14055.8 Ų55.865%0.65434%0.336SS*.Hα-helixtrans-66.6-41.3178.2-53.776.9-165.700111.7S29 T33 A34 S35S29-E31 VanDerWaalsContact C-N 3.27Å; S29-E31 VanDerWaalsContact CB-OE2 3.24Å; S29-E31 WeakPolarHBondContact CB-OE2 3.45Å; S29-E31 PolarHBondContact O-N 3Å; S29-E31 PolarHBondContact OG-OE2 3.5Å; E31-T33 VanDerWaalsContact C-N 3.33Å; E31-A34 PolarHBondContact O-N 3.45Å; E31-S35 WeakPolarHBondContact O-CB 3.21Å; E31-S35 PolarHBondContact O-N 3.43Å
32A79.8Confident85.8Confident18 Ų1859 Ų5915%0.14937%0.369CS..Hα-helixtrans-67.6-36.4177.700000111.8M1 W28 S29 S35 V36M1-A32 HydrophobicContact CG-CB 4.27Å; W28-A32 HydrophobicContact CB-CB 4.15Å; W28-A32 HydrophobicContact CE3-CB 4.14Å; S29-A32 PolarHBondContact O-N 3.3Å; S29-A32 PolarHBondContact OG-N 3.06Å; A32-S35 PolarHBondContact O-N 3.34Å; A32-V36 PolarHBondContact O-N 2.7Å
33T80.6Confident85.7Confident27 Ų2767.4 Ų67.417%0.16640%0.398CS..Hα-helixtrans-66.5-46.9175.2-59.70000111.1I25 S29 A30 E31 S35 V36 L68I25-T33 HydrophobicContact CG2-CG2 3.54Å; S29-T33 WeakPolarHBondContact O-CB 3.28Å; S29-T33 PolarHBondContact O-N 3.05Å; S29-T33 PolarHBondContact O-OG1 2.84Å; A30-T33 PolarHBondContact O-N 3.05Å; E31-T33 VanDerWaalsContact C-N 3.33Å; T33-S35 VanDerWaalsContact C-N 3.26Å; T33-S35 PolarHBondContact O-N 3.04Å; T33-V36 VanDerWaalsContact O-CG1 3.22Å; T33-V36 WeakPolarHBondContact O-CG1 3.12Å; T33-V36 PolarHBondContact O-N 3.05Å; T33-V36 VanDerWaalsContact O-N 3.14Å; T33-L68 HydrophobicContact CG2-CD2 3.69Å
34A77.4Confident85.7Confident67 Ų6762.7 Ų62.755%0.55438%0.383SS*.Hα-helixtrans-62-34.1176.400000112.5A30 E31 V36 S37A30-A34 WeakPolarHBondContact O-CB 3.44Å; A30-A34 PolarHBondContact O-N 2.88Å; E31-A34 PolarHBondContact O-N 3.45Å; A34-V36 VanDerWaalsContact C-N 3.29Å; A34-V36 PolarHBondContact O-N 3.19Å; A34-S37 PolarHBondContact O-OG 2.76Å; A34-S37 VanDerWaalsContact O-OG 3.13Å
35S82.5Confident86Confident59 Ų5960.7 Ų60.741%0.41338%0.375SS..Hα-helixtrans-71.6-19178.1179.20000113.9E31 A32 T33E31-S35 WeakPolarHBondContact O-CB 3.21Å; E31-S35 PolarHBondContact O-N 3.43Å; A32-S35 PolarHBondContact O-N 3.34Å; T33-S35 VanDerWaalsContact C-N 3.26Å; T33-S35 PolarHBondContact O-N 3.04Å
36V85.1Confident86.3Confident0 Ų060.4 Ų60.40%037%0.373CS..Hα-helixtrans-77.8-32.2-171.889.50000112.9L9 W28 A32 T33 A34 G38 K39 L48 L68L9-V36 HydrophobicContact CD1-CG2 3.42Å; L9-V36 VanDerWaalsContact CD1-CG2 3.42Å; W28-V36 HydrophobicContact CZ3-CB 4.46Å; W28-V36 HydrophobicContact CZ3-CG2 4Å; A32-V36 PolarHBondContact O-N 2.7Å; T33-V36 VanDerWaalsContact O-CG1 3.22Å; T33-V36 WeakPolarHBondContact O-CG1 3.12Å; T33-V36 PolarHBondContact O-N 3.05Å; T33-V36 VanDerWaalsContact O-N 3.14Å; A34-V36 VanDerWaalsContact C-N 3.29Å; A34-V36 PolarHBondContact O-N 3.19Å; V36-G38 PolarHBondContact O-N 3.2Å; V36-K39 WeakPolarHBondContact O-CB 3.28Å; V36-K39 PolarHBondContact O-N 2.73Å; V36-L48 HydrophobicContact CG2-CD1 4.23Å; V36-L68 HydrophobicContact CG1-CD1 4.18Å
37S79.9Confident86.8Confident16 Ų1656.3 Ų56.311%0.11234%0.339CS..Hα-helixtrans-65.4-37.7-173.956.30000112.3A34A34-S37 PolarHBondContact O-OG 2.76Å; A34-S37 VanDerWaalsContact O-OG 3.13Å
38G83.4Confident87.4Confident44 Ų4452.1 Ų52.145%0.45431%0.31SS..THydrogen-bonded Turntrans-93.86.7175.400000115.2V36V36-G38 PolarHBondContact O-N 3.2Å
39K91.5Very high88Confident66 Ų6649.9 Ų49.929%0.28730%0.302SS..  trans-79.4132.7-174.5-170.9157.2-176.8145.80111.9L6 V36 F41 T47L6-K39 HydrophobicContact CD1-CD 4.4Å; L6-K39 HydrophobicContact CD2-CD 3.76Å; V36-K39 WeakPolarHBondContact O-CB 3.28Å; V36-K39 PolarHBondContact O-N 2.73Å; K39-F41 HydrophobicContact CB-CE2 4.01Å; K39-F41 HydrophobicContact CB-CZ 4.19Å; K39-F41 HydrophobicContact CG-CE2 4.24Å; K39-F41 HydrophobicContact CG-CZ 4.21Å; K39-F41 WeakPolarHBondContact O-CD2 3.24Å; K39-F41 WeakPolarHBondContact O-CE2 3.4Å; K39-T47 WeakPolarHBondContact O-CA 3.41Å
40H94Very high88.7Confident91 Ų9147 Ų4742%0.42128%0.282SS..  trans-89.1138.7173.5-64-85.3000111.3G45 F75H40-G45 PolarHBondContact ND1-O 2.91Å; H40-F75 PolarHBondContact CE1-O 3.22Å
41F92.7Very high89.5Confident19 Ų1944.3 Ų44.38%0.08326%0.255CS..BIsolated β-bridgetrans-122.9144.8-176.8-60.6-97.3000110.9L6 A10 K39 G45 D46 L48 Y51L6-F41 HydrophobicContact CB-CE1 4.06Å; L6-F41 HydrophobicContact CD2-CE1 3.98Å; L6-F41 HydrophobicContact CD2-CZ 4.3Å; L6-F41 WeakPolarHBondContact O-CE1 3.47Å; A10-F41 HydrophobicContact CB-CD1 4.25Å; K39-F41 HydrophobicContact CB-CE2 4.01Å; K39-F41 HydrophobicContact CB-CZ 4.19Å; K39-F41 HydrophobicContact CG-CE2 4.24Å; K39-F41 HydrophobicContact CG-CZ 4.21Å; K39-F41 WeakPolarHBondContact O-CD2 3.24Å; K39-F41 WeakPolarHBondContact O-CE2 3.4Å; F41-G45 PolarHBondContact O-N 3.23Å; F41-D46 WeakPolarHBondContact CB-O 3.25Å; F41-D46 WeakPolarHBondContact CD2-O 3.39Å; F41-D46 PolarHBondContact N-O 3.32Å; F41-D46 PolarHBondContact O-N 2.87Å; F41-D46 VanDerWaalsContact O-N 3.16Å; F41-L48 HydrophobicContact CD2-CD2 4.23Å; F41-L48 HydrophobicContact CE1-CD2 4.44Å; F41-L48 HydrophobicContact CE2-CD2 3.63Å; F41-L48 HydrophobicContact CE2-CG 3.75Å; F41-L48 HydrophobicContact CZ-CD2 3.74Å; F41-L48 HydrophobicContact CZ-CG 4.04Å; F41-Y51 HydrophobicContact CB-CE2 4Å; F41-Y51 HydrophobicContact CG-CE2 4.4Å
42G89.8Confident90.4Very high68 Ų6837.6 Ų37.670%0.70122%0.224SC*.THydrogen-bonded Turntrans64.7-169.1173.300000114.2G45G42-G45 PolarHBondContact O-N 3.48Å
43R91.3Very high91.3Very high242 Ų24236.8 Ų36.891%0.91322%0.217SC*.THydrogen-bonded Turntrans-76.1-28.2-177.4-67-172.5-70.7-162.8-1.7113.5G45 N77R43-G45 PolarHBondContact O-N 3.42Å; R43-N77 PolarHBondContact O-ND2 3.48Å
44S92Very high92.1Very high48 Ų4838.3 Ų38.334%0.33622%0.219SC..THydrogen-bonded Turntrans-71.3-20175.246.90000112.3D46 N76 N77S44-D46 VanDerWaalsContact C-N 3.3Å; S44-D46 PolarHBondContact OG-OD2 2.91Å; S44-N76 WeakPolarHBondContact O-CB 3.48Å; S44-N77 VanDerWaalsContact O-CB 3.28Å; S44-N77 WeakPolarHBondContact O-CB 3.02Å; S44-N77 PolarHBondContact O-N 2.82Å
45G95.4Very high93.1Very high2 Ų239 Ų392%0.02121%0.211CC..THydrogen-bonded Turntrans66.633.9-171.300000111.6H40 F41 G42 R43 N76H40-G45 PolarHBondContact ND1-O 2.91Å; F41-G45 PolarHBondContact O-N 3.23Å; G42-G45 PolarHBondContact O-N 3.48Å; R43-G45 PolarHBondContact O-N 3.42Å; G45-N76 WeakPolarHBondContact O-CA 3.37Å; G45-N76 WeakPolarHBondContact O-CB 3.29Å
46D96.8Very high93.8Very high0 Ų037.4 Ų37.40%020%0.204CC..BIsolated β-bridgetrans-72.7143.6177.6-72.4-29.1000110.1F41 S44 H50 Y51 R54 N76F41-D46 WeakPolarHBondContact CB-O 3.25Å; F41-D46 WeakPolarHBondContact CD2-O 3.39Å; F41-D46 PolarHBondContact N-O 3.32Å; F41-D46 PolarHBondContact O-N 2.87Å; F41-D46 VanDerWaalsContact O-N 3.16Å; S44-D46 VanDerWaalsContact C-N 3.3Å; S44-D46 PolarHBondContact OG-OD2 2.91Å; D46-H50 HydrophobicContact CB-CB 3.85Å; D46-H50 IonicContact OD1-CD2 3.56Å; D46-Y51 HydrophobicContact CB-CD1 4.41Å; D46-Y51 HydrophobicContact CB-CE1 3.86Å; D46-Y51 HydrophobicContact CB-CE2 4.22Å; D46-R54 IonicContact OD1-NH2 3.12Å; D46-R54 PolarHBondContact OD1-NH2 3.17Å; D46-R54 IonicContact OD2-CZ 3.98Å; D46-R54 IonicContact OD2-NH1 2.82Å; D46-R54 PolarHBondContact OD2-NH1 3.27Å; D46-R54 IonicContact OD2-NH2 2.66Å; D46-R54 PolarHBondContact OD2-NH2 3.11Å; D46-N76 PolarHBondContact OD1-ND2 2.89Å
47T96.7Very high94.5Very high0 Ų039.5 Ų39.50%021%0.214CC..  trans-89.2173.5168.168.10000111K39 L49 H50 Y51 V74K39-T47 WeakPolarHBondContact O-CA 3.41Å; T47-L49 PolarHBondContact O-N 3.42Å; T47-L49 PolarHBondContact OG1-N 3.48Å; T47-H50 PolarHBondContact N-ND1 3.3Å; T47-H50 WeakPolarHBondContact O-CB 3.38Å; T47-H50 PolarHBondContact O-N 3.16Å; T47-H50 VanDerWaalsContact O-N 3.17Å; T47-H50 PolarHBondContact OG1-N 3.49Å; T47-H50 PolarHBondContact OG1-ND1 3.39Å; T47-Y51 WeakPolarHBondContact O-CD2 3.23Å; T47-Y51 PolarHBondContact O-N 3.01Å; T47-V74 HydrophobicContact CG2-CG1 4.04Å; T47-V74 HydrophobicContact CG2-CG2 3.71Å
48L96.8Very high95.3Very high1 Ų140.5 Ų40.51%0.00522%0.218CC..Hα-helixtrans-57.6-36.6171.3-61.2-173.5000111.5L9 A10 T13 V36 F41 H50 Y51 A52 L64L9-L48 HydrophobicContact CB-CD1 4.38Å; L9-L48 HydrophobicContact CB-CD2 4.32Å; A10-L48 HydrophobicContact CB-CD2 4.45Å; T13-L48 HydrophobicContact CG2-CB 4.04Å; T13-L48 HydrophobicContact CG2-CD2 4.42Å; T13-L48 WeakPolarHBondContact CG2-O 3.32Å; V36-L48 HydrophobicContact CG2-CD1 4.23Å; F41-L48 HydrophobicContact CD2-CD2 4.23Å; F41-L48 HydrophobicContact CE1-CD2 4.44Å; F41-L48 HydrophobicContact CE2-CD2 3.63Å; F41-L48 HydrophobicContact CE2-CG 3.75Å; F41-L48 HydrophobicContact CZ-CD2 3.74Å; F41-L48 HydrophobicContact CZ-CG 4.04Å; L48-H50 VanDerWaalsContact C-N 3.32Å; L48-H50 PolarHBondContact O-N 3.09Å; L48-Y51 HydrophobicContact CD2-CD2 4.45Å; L48-Y51 PolarHBondContact O-N 3.46Å; L48-Y51 VanDerWaalsContact O-N 3.15Å; L48-A52 PolarHBondContact O-N 3.06Å; L48-L64 HydrophobicContact CB-CD1 3.75Å; L48-L64 HydrophobicContact CB-CD2 4.17Å; L48-L64 HydrophobicContact CD1-CD2 4.2Å
49L97.6Very high96.1Very high1 Ų141.6 Ų41.61%0.00521%0.213CC..Hα-helixtrans-65.2-35.6178.8-169.459000112.2T47 A53 M61 L64 I65 A70 P82T47-L49 PolarHBondContact O-N 3.42Å; T47-L49 PolarHBondContact OG1-N 3.48Å; L49-A53 VanDerWaalsContact O-CB 3.23Å; L49-A53 WeakPolarHBondContact O-CB 3.25Å; L49-A53 PolarHBondContact O-N 2.87Å; L49-M61 HydrophobicContact CD1-CB 4.07Å; L49-M61 HydrophobicContact CD1-CE 4.4Å; L49-M61 HydrophobicContact CD1-CG 3.97Å; L49-L64 HydrophobicContact CB-CD1 4.36Å; L49-L64 HydrophobicContact CD1-CB 4.35Å; L49-L64 HydrophobicContact CD1-CD1 4.35Å; L49-I65 HydrophobicContact CD1-CD1 3.74Å; L49-I65 HydrophobicContact CD1-CG1 3.91Å; L49-I65 HydrophobicContact CD2-CD1 3.9Å; L49-I65 HydrophobicContact CD2-CG1 3.87Å; L49-I65 HydrophobicContact CG-CD1 4.45Å; L49-A70 HydrophobicContact CD2-CB 4.27Å; L49-P82 HydrophobicContact CB-CG 4.07Å; L49-P82 HydrophobicContact CD2-CB 4.27Å; L49-P82 HydrophobicContact CD2-CG 3.58Å; L49-P82 HydrophobicContact CG-CB 3.89Å; L49-P82 HydrophobicContact CG-CG 3.5Å; L49-P82 VanDerWaalsContact CG-CG 3.5Å
50H98.4Very high96.4Very high0 Ų038.4 Ų38.40%020%0.199CC..Hα-helixtrans-63.3-43.4171.6-71.583.1000112.3D46 T47 L48 R54 V74 K80D46-H50 HydrophobicContact CB-CB 3.85Å; D46-H50 IonicContact OD1-CD2 3.56Å; T47-H50 PolarHBondContact N-ND1 3.3Å; T47-H50 WeakPolarHBondContact O-CB 3.38Å; T47-H50 PolarHBondContact O-N 3.16Å; T47-H50 VanDerWaalsContact O-N 3.17Å; T47-H50 PolarHBondContact OG1-N 3.49Å; T47-H50 PolarHBondContact OG1-ND1 3.39Å; L48-H50 VanDerWaalsContact C-N 3.32Å; L48-H50 PolarHBondContact O-N 3.09Å; H50-R54 VanDerWaalsContact O-CB 3.27Å; H50-R54 WeakPolarHBondContact O-CB 3.37Å; H50-R54 PolarHBondContact O-N 3.37Å; H50-V74 PolarHBondContact CE1-O 3.46Å; H50-V74 VanDerWaalsContact CE1-O 3.3Å; H50-K80 PolarHBondContact NE2-O 3.43Å
51Y97.9Very high96.6Very high21 Ų2134.1 Ų34.18%0.08218%0.179CC..Hα-helixtrans-65.2-46.7177.9-68-48.7000111.7A10 Q14 F41 D46 T47 L48 A53 R54 H55A10-Y51 HydrophobicContact CB-CD2 4.34Å; A10-Y51 HydrophobicContact CB-CE2 3.98Å; Q14-Y51 HydrophobicContact CG-CD1 3.88Å; Q14-Y51 HydrophobicContact CG-CD2 4.43Å; Q14-Y51 HydrophobicContact CG-CG 3.81Å; Q14-Y51 VanDerWaalsContact NE2-CE1 3.28Å; F41-Y51 HydrophobicContact CB-CE2 4Å; F41-Y51 HydrophobicContact CG-CE2 4.4Å; D46-Y51 HydrophobicContact CB-CD1 4.41Å; D46-Y51 HydrophobicContact CB-CE1 3.86Å; D46-Y51 HydrophobicContact CB-CE2 4.22Å; T47-Y51 WeakPolarHBondContact O-CD2 3.23Å; T47-Y51 PolarHBondContact O-N 3.01Å; L48-Y51 HydrophobicContact CD2-CD2 4.45Å; L48-Y51 PolarHBondContact O-N 3.46Å; L48-Y51 VanDerWaalsContact O-N 3.15Å; Y51-A53 VanDerWaalsContact C-N 3.32Å; Y51-A53 PolarHBondContact O-N 3.18Å; Y51-R54 PolarHBondContact O-N 3.32Å; Y51-H55 PolarHBondContact O-CD2 3.15Å; Y51-H55 PolarHBondContact O-N 3.47Å
52A98.3Very high96.8Very high0 Ų036.9 Ų36.90%019%0.193CC..Hα-helixtrans-59-45.7177.800000111T13 L48 H55 G56 H57 V60 M61 L64T13-A52 HydrophobicContact CG2-CB 4.02Å; L48-A52 PolarHBondContact O-N 3.06Å; A52-H55 PolarHBondContact O-N 3.46Å; A52-G56 PolarHBondContact O-N 2.9Å; A52-H57 PolarHBondContact O-N 3.21Å; A52-V60 HydrophobicContact CB-CB 4.14Å; A52-V60 HydrophobicContact CB-CG1 3.88Å; A52-M61 HydrophobicContact CB-CG 3.49Å; A52-M61 VanDerWaalsContact CB-CG 3.49Å; A52-L64 HydrophobicContact CB-CD1 4.34Å
53A98.4Very high97.1Very high0 Ų034.3 Ų34.30%016%0.162CC..Hα-helixtrans-63.8-42.4176.500000113.6L49 Y51 H55 G56 M61 P82 E85 A86 H91L49-A53 VanDerWaalsContact O-CB 3.23Å; L49-A53 WeakPolarHBondContact O-CB 3.25Å; L49-A53 PolarHBondContact O-N 2.87Å; Y51-A53 VanDerWaalsContact C-N 3.32Å; Y51-A53 PolarHBondContact O-N 3.18Å; A53-H55 VanDerWaalsContact C-N 3.28Å; A53-H55 PolarHBondContact O-N 2.98Å; A53-G56 PolarHBondContact O-N 3.15Å; A53-M61 VanDerWaalsContact CA-SD 3.57Å; A53-M61 HydrophobicContact CB-CE 4.04Å; A53-M61 HydrophobicContact CB-SD 3.97Å; A53-P82 HydrophobicContact CB-CB 3.91Å; A53-P82 WeakPolarHBondContact CB-O 3.36Å; A53-E85 HydrophobicContact CB-CB 4.34Å; A53-A86 HydrophobicContact CB-CB 4.15Å; A53-A86 WeakPolarHBondContact O-CA 3.44Å; A53-H91 PolarHBondContact O-CD2 3.33Å
54R98.1Very high97.4Very high59 Ų5922.8 Ų22.822%0.22312%0.119CC..Hα-helixtrans-63-35177.7-177.1-179.2-69.6149.64.8112.2D46 H50 Y51 E85 M89 H91D46-R54 IonicContact OD1-NH2 3.12Å; D46-R54 PolarHBondContact OD1-NH2 3.17Å; D46-R54 IonicContact OD2-CZ 3.98Å; D46-R54 IonicContact OD2-NH1 2.82Å; D46-R54 PolarHBondContact OD2-NH1 3.27Å; D46-R54 IonicContact OD2-NH2 2.66Å; D46-R54 PolarHBondContact OD2-NH2 3.11Å; H50-R54 VanDerWaalsContact O-CB 3.27Å; H50-R54 WeakPolarHBondContact O-CB 3.37Å; H50-R54 PolarHBondContact O-N 3.37Å; Y51-R54 PolarHBondContact O-N 3.32Å; R54-E85 HydrophobicContact CB-CB 4.06Å; R54-E85 IonicContact CZ-OE1 3.96Å; R54-E85 IonicContact CZ-OE2 2.9Å; R54-E85 IonicContact NE-OE1 3.03Å; R54-E85 IonicContact NE-OE2 3.69Å; R54-E85 PolarHBondContact NE-OE2 3.08Å; R54-E85 IonicContact NH2-OE1 3.99Å; R54-E85 PolarHBondContact NH2-OE1 3.25Å; R54-E85 IonicContact NH2-OE2 3.44Å; R54-E85 PolarHBondContact NH2-OE2 3.33Å; R54-M89 HydrophobicContact CG-CG 4.01Å; R54-M89 WeakPolarHBondContact O-CB 3.33Å; R54-M89 WeakPolarHBondContact O-CG 3.4Å; R54-H91 PolarHBondContact O-CD2 2.87Å; R54-H91 PolarHBondContact O-NE2 3.47Å
55H98.1Very high97.6Very high82 Ų8221.3 Ų21.338%0.3811%0.107SC..Hα-helixtrans-97.8-5.5-175.5-69.5-74.4000114.2Y51 A52 A53 H57Y51-H55 PolarHBondContact O-CD2 3.15Å; Y51-H55 PolarHBondContact O-N 3.47Å; A52-H55 PolarHBondContact O-N 3.46Å; A53-H55 VanDerWaalsContact C-N 3.28Å; A53-H55 PolarHBondContact O-N 2.98Å; H55-H57 VanDerWaalsContact CB-CD2 3.48Å; H55-H57 WeakPolarHBondContact CB-CD2 3.26Å; H55-H57 WeakPolarHBondContact CB-NE2 3.41Å
56G98.1Very high97.6Very high26 Ų2626.6 Ų26.627%0.26813%0.131SC..THydrogen-bonded Turntrans80.922.8174.800000114.2A52 A53 L58 H91 C94A52-G56 PolarHBondContact O-N 2.9Å; A53-G56 PolarHBondContact O-N 3.15Å; G56-L58 PolarHBondContact O-N 3.44Å; G56-L58 VanDerWaalsContact O-N 3.15Å; G56-H91 VanDerWaalsContact CA-CG 3.41Å; G56-H91 PolarHBondContact N-CD2 2.95Å; G56-H91 PolarHBondContact N-NE2 2.97Å; G56-C94 VanDerWaalsContact C-SG 3.59Å
57H98.5Very high97.4Very high43 Ų4333 Ų3320%0.19916%0.161CC..  trans-88.778.7-177.1-58.6-46.7000110.6T13 Q14 G16 A52 H55 D59 V60 M61T13-H57 PolarHBondContact O-CD2 3.45Å; Q14-H57 PolarHBondContact O-NE2 3.43Å; G16-H57 VanDerWaalsContact CA-CD2 3.48Å; G16-H57 WeakPolarHBondContact CA-CD2 3.35Å; G16-H57 VanDerWaalsContact CA-CG 3.47Å; G16-H57 PolarHBondContact N-CD2 3.13Å; G16-H57 PolarHBondContact N-NE2 2.99Å; A52-H57 PolarHBondContact O-N 3.21Å; H55-H57 VanDerWaalsContact CB-CD2 3.48Å; H55-H57 WeakPolarHBondContact CB-CD2 3.26Å; H55-H57 WeakPolarHBondContact CB-NE2 3.41Å; H57-D59 VanDerWaalsContact C-N 3.33Å; H57-D59 PolarHBondContact O-N 3.2Å; H57-V60 HydrophobicContact CB-CB 4.03Å; H57-V60 HydrophobicContact CB-CG2 4.03Å; H57-V60 PolarHBondContact O-N 3.14Å; H57-M61 WeakPolarHBondContact O-CG 3.48Å; H57-M61 PolarHBondContact O-N 3.36Å
58L98.5Very high97.2Very high38 Ų3834.4 Ų34.420%0.19917%0.169CC..Hα-helixtrans-57.1-43.9-176.6176.463.4000112.5G56 V60 M61 E62 E93 F97G56-L58 PolarHBondContact O-N 3.44Å; G56-L58 VanDerWaalsContact O-N 3.15Å; L58-V60 VanDerWaalsContact C-N 3.27Å; L58-V60 PolarHBondContact O-N 3.3Å; L58-M61 CarbonylContact O-C 3.57Å; L58-M61 WeakPolarHBondContact O-CA 2.98Å; L58-M61 WeakPolarHBondContact O-CB 3.39Å; L58-M61 PolarHBondContact O-N 3.1Å; L58-E62 HydrophobicContact CD1-CG 4.26Å; L58-E62 HydrophobicContact CG-CG 4.37Å; L58-E62 WeakPolarHBondContact O-CG 3.48Å; L58-E62 PolarHBondContact O-N 3.44Å; L58-E93 HydrophobicContact CD2-CB 4.09Å; L58-F97 HydrophobicContact CD1-CB 3.48Å; L58-F97 VanDerWaalsContact CD1-CB 3.48Å; L58-F97 HydrophobicContact CD1-CD1 3.81Å; L58-F97 HydrophobicContact CD1-CD2 4.38Å; L58-F97 HydrophobicContact CD1-CG 3.63Å
59D98.4Very high97Very high66 Ų6637.2 Ų37.235%0.35320%0.198SC..Hα-helixtrans-58.7-38.6179.166.5-31.1000112.4L18 H57 F63L18-D59 WeakPolarHBondContact CB-OD2 3.43Å; L18-D59 HydrophobicContact CD2-CB 3.97Å; H57-D59 VanDerWaalsContact C-N 3.33Å; H57-D59 PolarHBondContact O-N 3.2Å; D59-F63 WeakPolarHBondContact O-CB 3.24Å; D59-F63 PolarHBondContact O-N 2.83Å; D59-F63 VanDerWaalsContact O-N 3.13Å
60V98.1Very high96.9Very high0 Ų037.5 Ų37.50%020%0.2CC..Hα-helixtrans-69.6-39.7173.4179.60000110.8T13 L18 L21 A52 H57 L58 F63 L64T13-V60 HydrophobicContact CG2-CG1 3.96Å; L18-V60 HydrophobicContact CB-CG2 4.09Å; L18-V60 HydrophobicContact CD1-CG2 4.47Å; L21-V60 HydrophobicContact CD2-CG1 3.75Å; A52-V60 HydrophobicContact CB-CB 4.14Å; A52-V60 HydrophobicContact CB-CG1 3.88Å; H57-V60 HydrophobicContact CB-CB 4.03Å; H57-V60 HydrophobicContact CB-CG2 4.03Å; H57-V60 PolarHBondContact O-N 3.14Å; L58-V60 VanDerWaalsContact C-N 3.27Å; L58-V60 PolarHBondContact O-N 3.3Å; V60-F63 PolarHBondContact O-N 2.84Å; V60-L64 HydrophobicContact CG1-CD1 3.94Å; V60-L64 HydrophobicContact CG1-CG 4.23Å; V60-L64 WeakPolarHBondContact O-CB 3.27Å; V60-L64 WeakPolarHBondContact O-CG 3.41Å; V60-L64 PolarHBondContact O-N 3.31Å
61M98.1Very high96.8Very high0 Ų042.1 Ų42.10%023%0.225CC..Hα-helixtrans-64.2-45.4176.7-65.8174.460.500112.3L49 A52 A53 H57 L58 F63 L64 I65 C94 F97 L98L49-M61 HydrophobicContact CD1-CB 4.07Å; L49-M61 HydrophobicContact CD1-CE 4.4Å; L49-M61 HydrophobicContact CD1-CG 3.97Å; A52-M61 HydrophobicContact CB-CG 3.49Å; A52-M61 VanDerWaalsContact CB-CG 3.49Å; A53-M61 VanDerWaalsContact CA-SD 3.57Å; A53-M61 HydrophobicContact CB-CE 4.04Å; A53-M61 HydrophobicContact CB-SD 3.97Å; H57-M61 WeakPolarHBondContact O-CG 3.48Å; H57-M61 PolarHBondContact O-N 3.36Å; L58-M61 CarbonylContact O-C 3.57Å; L58-M61 WeakPolarHBondContact O-CA 2.98Å; L58-M61 WeakPolarHBondContact O-CB 3.39Å; L58-M61 PolarHBondContact O-N 3.1Å; M61-F63 VanDerWaalsContact C-N 3.32Å; M61-F63 PolarHBondContact O-N 2.93Å; M61-L64 PolarHBondContact O-N 2.93Å; M61-I65 PolarHBondContact O-N 3.25Å; M61-C94 HydrophobicContact CE-CB 4.06Å; M61-C94 HydrophobicContact SD-CB 3.66Å; M61-C94 PolarHBondContact SD-SG 2.84Å; M61-F97 HydrophobicContact CB-CD1 4.17Å; M61-F97 HydrophobicContact CB-CE1 4.04Å; M61-F97 HydrophobicContact CE-CD1 4.29Å; M61-L98 HydrophobicContact CE-CD1 3.48Å; M61-L98 VanDerWaalsContact CE-CD1 3.48Å; M61-L98 HydrophobicContact CE-CD2 3.46Å; M61-L98 VanDerWaalsContact CE-CD2 3.46Å; M61-L98 HydrophobicContact CE-CG 3.3Å
62E98.1Very high96.8Very high77 Ų7742 Ų4236%0.3623%0.226SC..Hα-helixtrans-55.7-49.1175-74.3177.2-176.700110.6L58 L64 I65 Q66 F97L58-E62 HydrophobicContact CD1-CG 4.26Å; L58-E62 HydrophobicContact CG-CG 4.37Å; L58-E62 WeakPolarHBondContact O-CG 3.48Å; L58-E62 PolarHBondContact O-N 3.44Å; E62-L64 PolarHBondContact O-N 2.93Å; E62-I65 PolarHBondContact O-N 3.09Å; E62-Q66 VanDerWaalsContact O-CB 3.27Å; E62-Q66 WeakPolarHBondContact O-CB 3.46Å; E62-Q66 PolarHBondContact O-N 2.88Å; E62-F97 HydrophobicContact CB-CZ 4.23Å; E62-F97 HydrophobicContact CG-CD2 4.25Å; E62-F97 HydrophobicContact CG-CE1 4.1Å; E62-F97 HydrophobicContact CG-CE2 3.82Å; E62-F97 HydrophobicContact CG-CZ 3.75Å
63F96.6Very high96.7Very high14 Ų1443.6 Ų43.66%0.06123%0.234CC..Iπ-helixtrans-59.3-47.1176.2172.9-107.2000112.6L18 L21 Q22 I25 D59 V60 M61 Q67 L68L18-F63 HydrophobicContact CD1-CB 3.57Å; L18-F63 HydrophobicContact CD1-CD1 3.85Å; L18-F63 HydrophobicContact CD1-CD2 4.37Å; L18-F63 HydrophobicContact CD1-CG 3.66Å; L21-F63 HydrophobicContact CD2-CD1 4.25Å; L21-F63 HydrophobicContact CD2-CE1 4.38Å; Q22-F63 HydrophobicContact CG-CD1 4.41Å; Q22-F63 HydrophobicContact CG-CD2 3.99Å; Q22-F63 HydrophobicContact CG-CE1 4.1Å; Q22-F63 HydrophobicContact CG-CE2 3.67Å; Q22-F63 HydrophobicContact CG-CG 4.36Å; Q22-F63 HydrophobicContact CG-CZ 3.73Å; I25-F63 HydrophobicContact CD1-CE1 3.93Å; I25-F63 HydrophobicContact CD1-CZ 4.43Å; D59-F63 WeakPolarHBondContact O-CB 3.24Å; D59-F63 PolarHBondContact O-N 2.83Å; D59-F63 VanDerWaalsContact O-N 3.13Å; V60-F63 PolarHBondContact O-N 2.84Å; M61-F63 VanDerWaalsContact C-N 3.32Å; M61-F63 PolarHBondContact O-N 2.93Å; F63-Q67 HydrophobicContact CD2-CB 3.89Å; F63-Q67 HydrophobicContact CD2-CG 4.06Å; F63-Q67 HydrophobicContact CE2-CB 4.02Å; F63-Q67 VanDerWaalsContact CE2-OE1 3.24Å; F63-Q67 VanDerWaalsContact O-CB 3.32Å; F63-Q67 WeakPolarHBondContact O-CB 3.23Å; F63-Q67 PolarHBondContact O-N 2.88Å; F63-Q67 VanDerWaalsContact O-N 3.1Å; F63-L68 HydrophobicContact CD1-CD1 4.4Å; F63-L68 HydrophobicContact CE1-CD1 3.64Å; F63-L68 HydrophobicContact CE1-CG 3.98Å; F63-L68 HydrophobicContact CE2-CD2 4.47Å; F63-L68 HydrophobicContact CE2-CG 4.44Å; F63-L68 HydrophobicContact CZ-CD1 3.91Å; F63-L68 HydrophobicContact CZ-CD2 3.98Å; F63-L68 HydrophobicContact CZ-CG 3.89Å; F63-L68 PolarHBondContact O-N 3Å
64L96.1Very high96.6Very high1 Ų144.4 Ų44.41%0.00524%0.238CC..Iπ-helixtrans-64.2-43.4-178.7-70.2174.1000112.2L48 L49 A52 V60 M61 E62 L68 G69 A70L48-L64 HydrophobicContact CB-CD1 3.75Å; L48-L64 HydrophobicContact CB-CD2 4.17Å; L48-L64 HydrophobicContact CD1-CD2 4.2Å; L49-L64 HydrophobicContact CB-CD1 4.36Å; L49-L64 HydrophobicContact CD1-CB 4.35Å; L49-L64 HydrophobicContact CD1-CD1 4.35Å; A52-L64 HydrophobicContact CB-CD1 4.34Å; V60-L64 HydrophobicContact CG1-CD1 3.94Å; V60-L64 HydrophobicContact CG1-CG 4.23Å; V60-L64 WeakPolarHBondContact O-CB 3.27Å; V60-L64 WeakPolarHBondContact O-CG 3.41Å; V60-L64 PolarHBondContact O-N 3.31Å; M61-L64 PolarHBondContact O-N 2.93Å; E62-L64 PolarHBondContact O-N 2.93Å; L64-L68 HydrophobicContact CD2-CD1 4.01Å; L64-L68 CarbonylContact O-C 3.27Å; L64-L68 WeakPolarHBondContact O-CB 3.47Å; L64-L68 PolarHBondContact O-N 3.46Å; L64-G69 PolarHBondContact O-N 3.34Å; L64-A70 HydrophobicContact CB-CB 4.21Å; L64-A70 WeakPolarHBondContact O-CB 3.44Å; L64-A70 PolarHBondContact O-N 2.96Å
65I96.6Very high96.6Very high16 Ų1646.2 Ų46.28%0.08225%0.248CC..Iπ-helixtrans-78.3-55-177.4-70.9165.5000110.7L49 M61 E62 G69 A70 V72 F97 L98 E101L49-I65 HydrophobicContact CD1-CD1 3.74Å; L49-I65 HydrophobicContact CD1-CG1 3.91Å; L49-I65 HydrophobicContact CD2-CD1 3.9Å; L49-I65 HydrophobicContact CD2-CG1 3.87Å; L49-I65 HydrophobicContact CG-CD1 4.45Å; M61-I65 PolarHBondContact O-N 3.25Å; E62-I65 PolarHBondContact O-N 3.09Å; I65-G69 VanDerWaalsContact O-CA 3.23Å; I65-G69 WeakPolarHBondContact O-CA 3.35Å; I65-G69 PolarHBondContact O-N 3.35Å; I65-G69 VanDerWaalsContact O-N 3.08Å; I65-A70 HydrophobicContact CG1-CB 4.38Å; I65-V72 HydrophobicContact CD1-CG2 4.17Å; I65-F97 HydrophobicContact CB-CE1 4.43Å; I65-F97 HydrophobicContact CB-CZ 4.4Å; I65-F97 HydrophobicContact CD1-CD1 4.44Å; I65-F97 HydrophobicContact CD1-CE1 3.66Å; I65-F97 HydrophobicContact CD1-CZ 4.35Å; I65-L98 HydrophobicContact CD1-CD2 3.87Å; I65-E101 HydrophobicContact CG2-CB 4.35Å; I65-E101 HydrophobicContact CG2-CG 4.08Å
66Q95.6Very high96.5Very high114 Ų11442.6 Ų42.653%0.53323%0.231SC..Iπ-helixtrans-81.3-31-168.2-60.3178.6-19.800113.1E62 F97 E101E62-Q66 VanDerWaalsContact O-CB 3.27Å; E62-Q66 WeakPolarHBondContact O-CB 3.46Å; E62-Q66 PolarHBondContact O-N 2.88Å; Q66-F97 HydrophobicContact CG-CZ 4.27Å; Q66-E101 PolarHBondContact NE2-OE1 3.06Å
67Q93.1Very high96.4Very high133 Ų13346.6 Ų46.662%0.62125%0.247SC*.Iπ-helixtrans-101.2-35.7-179-55.1-169.813.800113.2F63F63-Q67 HydrophobicContact CD2-CB 3.89Å; F63-Q67 HydrophobicContact CD2-CG 4.06Å; F63-Q67 HydrophobicContact CE2-CB 4.02Å; F63-Q67 VanDerWaalsContact CE2-OE1 3.24Å; F63-Q67 VanDerWaalsContact O-CB 3.32Å; F63-Q67 WeakPolarHBondContact O-CB 3.23Å; F63-Q67 PolarHBondContact O-N 2.88Å; F63-Q67 VanDerWaalsContact O-N 3.1Å
68L92.1Very high96.3Very high31 Ų3145.9 Ų45.916%0.16225%0.245CC..THydrogen-bonded Turntrans-100.5-1.8179.8-56.3-170.4000114.2I25 T33 V36 F63 L64 A70I25-L68 HydrophobicContact CD1-CD1 3.89Å; T33-L68 HydrophobicContact CG2-CD2 3.69Å; V36-L68 HydrophobicContact CG1-CD1 4.18Å; F63-L68 HydrophobicContact CD1-CD1 4.4Å; F63-L68 HydrophobicContact CE1-CD1 3.64Å; F63-L68 HydrophobicContact CE1-CG 3.98Å; F63-L68 HydrophobicContact CE2-CD2 4.47Å; F63-L68 HydrophobicContact CE2-CG 4.44Å; F63-L68 HydrophobicContact CZ-CD1 3.91Å; F63-L68 HydrophobicContact CZ-CD2 3.98Å; F63-L68 HydrophobicContact CZ-CG 3.89Å; F63-L68 PolarHBondContact O-N 3Å; L64-L68 HydrophobicContact CD2-CD1 4.01Å; L64-L68 CarbonylContact O-C 3.27Å; L64-L68 WeakPolarHBondContact O-CB 3.47Å; L64-L68 PolarHBondContact O-N 3.46Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 3.46Å
69G92.7Very high96.3Very high60 Ų6050.3 Ų50.362%0.61926%0.259SS*.  trans63.433.5177.900000113.2L64 I65 D71L64-G69 PolarHBondContact O-N 3.34Å; I65-G69 VanDerWaalsContact O-CA 3.23Å; I65-G69 WeakPolarHBondContact O-CA 3.35Å; I65-G69 PolarHBondContact O-N 3.35Å; I65-G69 VanDerWaalsContact O-N 3.08Å; G69-D71 PolarHBondContact O-N 3.31Å
70A94.9Very high96.3Very high7 Ų749.1 Ų49.16%0.05825%0.251CS..  trans-62.1131.4174.900000110.5L49 L64 I65 L68 V72L49-A70 HydrophobicContact CD2-CB 4.27Å; L64-A70 HydrophobicContact CB-CB 4.21Å; L64-A70 WeakPolarHBondContact O-CB 3.44Å; L64-A70 PolarHBondContact O-N 2.96Å; I65-A70 HydrophobicContact CG1-CB 4.38Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 3.46Å; A70-V72 PolarHBondContact O-N 2.94Å
71D96.3Very high96.3Very high97 Ų9751.5 Ų51.552%0.51926%0.26SS..  trans-65.3116174.917713.8000110.2G69 E73 V74G69-D71 PolarHBondContact O-N 3.31Å; D71-E73 PolarHBondContact O-N 3.46Å; D71-E73 WeakPolarHBondContact OD1-CB 3.46Å; D71-E73 PolarHBondContact OD1-N 3.27Å; D71-V74 HydrophobicContact CB-CB 4.3Å; D71-V74 WeakPolarHBondContact O-CB 3.5Å; D71-V74 WeakPolarHBondContact O-CG1 3.49Å; D71-V74 PolarHBondContact O-N 2.98Å
72V97.5Very high96.3Very high17 Ų1751.5 Ų51.510%0.10326%0.26CS..THydrogen-bonded Turntrans-60.8-26.5178.774.90000112.1I65 A70 L98 E101 A103I65-V72 HydrophobicContact CD1-CG2 4.17Å; A70-V72 PolarHBondContact O-N 2.94Å; V72-L98 HydrophobicContact CG2-CB 4.46Å; V72-L98 HydrophobicContact CG2-CD2 3.55Å; V72-E101 HydrophobicContact CG2-CB 4.29Å; V72-A103 HydrophobicContact CG2-CB 3.89Å
73E97.9Very high96.3Very high35 Ų3547.9 Ų47.916%0.16424%0.243CC..THydrogen-bonded Turntrans-97.28-176-80.4-57100.300112.7D71 F75 R81 A103 N104D71-E73 PolarHBondContact O-N 3.46Å; D71-E73 WeakPolarHBondContact OD1-CB 3.46Å; D71-E73 PolarHBondContact OD1-N 3.27Å; E73-F75 PolarHBondContact O-N 2.68Å; E73-R81 VanDerWaalsContact CD-NH1 3.35Å; E73-R81 PolarHBondContact O-NH1 2.87Å; E73-R81 WeakPolarHBondContact OE2-CD 3.18Å; E73-R81 IonicContact OE2-CZ 3.51Å; E73-R81 IonicContact OE2-NE 2.8Å; E73-R81 IonicContact OE2-NH1 3.4Å; E73-R81 PolarHBondContact OE2-NH1 3.07Å; E73-A103 VanDerWaalsContact OE1-CA 3.23Å; E73-A103 WeakPolarHBondContact OE1-CA 3.36Å; E73-N104 PolarHBondContact OE1-N 2.89Å; E73-N104 WeakPolarHBondContact OE2-CB 3.5Å
74V96.1Very high96.4Very high16 Ų1647.2 Ų47.210%0.09724%0.24CC..  trans-59.6138.3177.669.20000111.5T47 H50 D71 R81 P82T47-V74 HydrophobicContact CG2-CG1 4.04Å; T47-V74 HydrophobicContact CG2-CG2 3.71Å; H50-V74 PolarHBondContact CE1-O 3.46Å; H50-V74 VanDerWaalsContact CE1-O 3.3Å; D71-V74 HydrophobicContact CB-CB 4.3Å; D71-V74 WeakPolarHBondContact O-CB 3.5Å; D71-V74 WeakPolarHBondContact O-CG1 3.49Å; D71-V74 PolarHBondContact O-N 2.98Å; V74-R81 WeakPolarHBondContact O-CA 3.28Å; V74-P82 HydrophobicContact CG1-CG 4.28Å; V74-P82 VanDerWaalsContact O-CD 3.29Å; V74-P82 WeakPolarHBondContact O-CD 2.91Å
75F96.5Very high96.5Very high97 Ų9747.4 Ų47.443%0.42524%0.241SC..  trans-122.3143.8-17765.1-93.5000113.6H40 E73 Y79 K80 R81H40-F75 PolarHBondContact CE1-O 3.22Å; E73-F75 PolarHBondContact O-N 2.68Å; F75-Y79 AromaticContact CD2-CD1 3.74Å; F75-Y79 HydrophobicContact CD2-CD1 3.74Å; F75-Y79 HydrophobicContact CD2-CE1 4.24Å; F75-Y79 HydrophobicContact CD2-CG 4.4Å; F75-Y79 AromaticContact CE2-CD1 3.87Å; F75-Y79 HydrophobicContact CE2-CD1 3.87Å; F75-Y79 AromaticContact CE2-CE1 3.89Å; F75-Y79 HydrophobicContact CE2-CE1 3.89Å; F75-Y79 HydrophobicContact CG-CD1 4.4Å; F75-K80 CarbonylContact C-O 3.46Å; F75-K80 WeakPolarHBondContact CA-O 3.46Å; F75-R81 HydrophobicContact CB-CG 4.16Å
76N96.8Very high96.6Very high6 Ų646.7 Ų46.73%0.03224%0.237CC..  trans-85.9-172.3177.376.64.4000113S44 G45 D46 D78 Y79 K80S44-N76 WeakPolarHBondContact O-CB 3.48Å; G45-N76 WeakPolarHBondContact O-CA 3.37Å; G45-N76 WeakPolarHBondContact O-CB 3.29Å; D46-N76 PolarHBondContact OD1-ND2 2.89Å; N76-D78 PolarHBondContact O-N 3.4Å; N76-D78 VanDerWaalsContact O-N 3.13Å; N76-D78 WeakPolarHBondContact OD1-CA 3.16Å; N76-D78 WeakPolarHBondContact OD1-CB 3.38Å; N76-D78 PolarHBondContact OD1-N 2.98Å; N76-Y79 WeakPolarHBondContact O-CA 3.22Å; N76-Y79 PolarHBondContact O-N 3.32Å; N76-Y79 PolarHBondContact OD1-N 2.9Å; N76-K80 PolarHBondContact N-O 3.42Å; N76-K80 WeakPolarHBondContact OD1-CB 3.49Å; N76-K80 PolarHBondContact OD1-N 3.08Å
77N96.8Very high96.7Very high111 Ų11141.2 Ų41.259%0.59421%0.212SC*.THydrogen-bonded Turntrans-65-17-178.9-65.1-20.1000114.1R43 S44 Y79R43-N77 PolarHBondContact O-ND2 3.48Å; S44-N77 VanDerWaalsContact O-CB 3.28Å; S44-N77 WeakPolarHBondContact O-CB 3.02Å; S44-N77 PolarHBondContact O-N 2.82Å; N77-Y79 VanDerWaalsContact C-N 3.34Å
78D96.6Very high96.9Very high28 Ų2835.6 Ų35.615%0.1519%0.187CC..THydrogen-bonded Turntrans-95.811173.6-165.552.5000111.7N76 K80 R110N76-D78 PolarHBondContact O-N 3.4Å; N76-D78 VanDerWaalsContact O-N 3.13Å; N76-D78 WeakPolarHBondContact OD1-CA 3.16Å; N76-D78 WeakPolarHBondContact OD1-CB 3.38Å; N76-D78 PolarHBondContact OD1-N 2.98Å; D78-K80 HydrophobicContact CB-CG 4.17Å; D78-K80 PolarHBondContact O-N 3.4Å; D78-K80 VanDerWaalsContact O-N 3.1Å; D78-K80 WeakPolarHBondContact OD2-CE 3.42Å; D78-R110 VanDerWaalsContact O-CB 3.31Å; D78-R110 WeakPolarHBondContact O-CB 3.47Å; D78-R110 PolarHBondContact O-N 2.92Å; D78-R110 WeakPolarHBondContact OD1-CB 3.42Å; D78-R110 IonicContact OD1-CZ 3.33Å; D78-R110 IonicContact OD1-NE 2.82Å; D78-R110 PolarHBondContact OD1-NE 3.15Å; D78-R110 IonicContact OD1-NH2 2.85Å; D78-R110 PolarHBondContact OD1-NH2 3.33Å
79Y97.4Very high97.2Very high130 Ų13037.6 Ų37.651%0.5120%0.197SC..  trans56.816.3-171.3-61.3-93.4000113.8F75 N76 N77 K109 R110F75-Y79 AromaticContact CD2-CD1 3.74Å; F75-Y79 HydrophobicContact CD2-CD1 3.74Å; F75-Y79 HydrophobicContact CD2-CE1 4.24Å; F75-Y79 HydrophobicContact CD2-CG 4.4Å; F75-Y79 AromaticContact CE2-CD1 3.87Å; F75-Y79 HydrophobicContact CE2-CD1 3.87Å; F75-Y79 AromaticContact CE2-CE1 3.89Å; F75-Y79 HydrophobicContact CE2-CE1 3.89Å; F75-Y79 HydrophobicContact CG-CD1 4.4Å; N76-Y79 WeakPolarHBondContact O-CA 3.22Å; N76-Y79 PolarHBondContact O-N 3.32Å; N76-Y79 PolarHBondContact OD1-N 2.9Å; N77-Y79 VanDerWaalsContact C-N 3.34Å; Y79-K109 WeakPolarHBondContact O-CA 3.45Å; Y79-R110 HydrophobicContact CD2-CB 4.45Å
80K97.8Very high97.4Very high41 Ų4135.9 Ų35.918%0.17818%0.179CC..  trans-70.6144.3172.5-67-178.2178.6-1790108.8H50 F75 N76 D78 H84 E85 K109H50-K80 PolarHBondContact NE2-O 3.43Å; F75-K80 CarbonylContact C-O 3.46Å; F75-K80 WeakPolarHBondContact CA-O 3.46Å; N76-K80 PolarHBondContact N-O 3.42Å; N76-K80 WeakPolarHBondContact OD1-CB 3.49Å; N76-K80 PolarHBondContact OD1-N 3.08Å; D78-K80 HydrophobicContact CB-CG 4.17Å; D78-K80 PolarHBondContact O-N 3.4Å; D78-K80 VanDerWaalsContact O-N 3.1Å; D78-K80 WeakPolarHBondContact OD2-CE 3.42Å; K80-H84 HydrophobicContact CB-CB 4.2Å; K80-H84 HydrophobicContact CG-CB 4.42Å; K80-E85 WeakPolarHBondContact CD-OE1 3.31Å; K80-E85 IonicContact NZ-OE1 2.64Å; K80-E85 PolarHBondContact NZ-OE1 3.37Å; K80-K109 HydrophobicContact CB-CB 4.44Å; K80-K109 HydrophobicContact CD-CD 4.28Å; K80-K109 HydrophobicContact CG-CB 3.83Å; K80-K109 HydrophobicContact CG-CD 3.59Å; K80-K109 HydrophobicContact CG-CG 4.32Å
81R98.4Very high97.6Very high51 Ų5138 Ų3819%0.19219%0.187CC..  trans-107.3165170.8-61.8175.1-166.7-105.4-16.2109.4E73 V74 F75 L83 H84 E85E73-R81 VanDerWaalsContact CD-NH1 3.35Å; E73-R81 PolarHBondContact O-NH1 2.87Å; E73-R81 WeakPolarHBondContact OE2-CD 3.18Å; E73-R81 IonicContact OE2-CZ 3.51Å; E73-R81 IonicContact OE2-NE 2.8Å; E73-R81 IonicContact OE2-NH1 3.4Å; E73-R81 PolarHBondContact OE2-NH1 3.07Å; V74-R81 WeakPolarHBondContact O-CA 3.28Å; F75-R81 HydrophobicContact CB-CG 4.16Å; R81-L83 PolarHBondContact O-N 3.04Å; R81-L83 VanDerWaalsContact O-N 3.11Å; R81-H84 PolarHBondContact N-ND1 3.2Å; R81-H84 VanDerWaalsContact N-ND1 3.17Å; R81-H84 VanDerWaalsContact O-CB 3.3Å; R81-H84 WeakPolarHBondContact O-CB 3.15Å; R81-H84 PolarHBondContact O-N 3.23Å; R81-E85 PolarHBondContact O-N 3.32Å
82P98.4Very high97.7Very high0 Ų036.7 Ų36.70%018%0.178CC..Hα-helixtrans-49.4-38.3174.2-28.734.7000113.5L49 A53 V74 H84 E85 A86 L98L49-P82 HydrophobicContact CB-CG 4.07Å; L49-P82 HydrophobicContact CD2-CB 4.27Å; L49-P82 HydrophobicContact CD2-CG 3.58Å; L49-P82 HydrophobicContact CG-CB 3.89Å; L49-P82 HydrophobicContact CG-CG 3.5Å; L49-P82 VanDerWaalsContact CG-CG 3.5Å; A53-P82 HydrophobicContact CB-CB 3.91Å; A53-P82 WeakPolarHBondContact CB-O 3.36Å; V74-P82 HydrophobicContact CG1-CG 4.28Å; V74-P82 VanDerWaalsContact O-CD 3.29Å; V74-P82 WeakPolarHBondContact O-CD 2.91Å; P82-H84 VanDerWaalsContact C-N 3.3Å; P82-H84 PolarHBondContact O-N 3.2Å; P82-E85 PolarHBondContact O-N 3.02Å; P82-E85 VanDerWaalsContact O-N 3.1Å; P82-A86 PolarHBondContact O-N 3.22Å; P82-L98 HydrophobicContact CB-CD1 3.92Å; P82-L98 HydrophobicContact CB-CD2 3.99Å
83L98.8Very high97.7Very high0 Ų042.8 Ų42.80%021%0.205CC..Hα-helixtrans-60.2-37.7178.1-176.462.2000112.8R81 A87 V95 L98 L99 A103 N104 P115 L131R81-L83 PolarHBondContact O-N 3.04Å; R81-L83 VanDerWaalsContact O-N 3.11Å; L83-A87 WeakPolarHBondContact O-CB 3.27Å; L83-A87 PolarHBondContact O-N 3.47Å; L83-V95 HydrophobicContact CD1-CB 4.39Å; L83-V95 HydrophobicContact CD1-CG1 3.97Å; L83-V95 HydrophobicContact CD1-CG2 4.35Å; L83-L98 HydrophobicContact CB-CD1 4.17Å; L83-L98 HydrophobicContact CD1-CB 4.24Å; L83-L98 HydrophobicContact CD1-CD1 4.35Å; L83-L99 HydrophobicContact CD1-CD2 4.24Å; L83-L99 HydrophobicContact CD1-CG 4.12Å; L83-L99 HydrophobicContact CD2-CD2 3.81Å; L83-A103 HydrophobicContact CB-CB 4.41Å; L83-A103 HydrophobicContact CD2-CB 4.08Å; L83-N104 WeakPolarHBondContact CD2-O 2.98Å; L83-P115 HydrophobicContact CB-CG 4.44Å; L83-P115 HydrophobicContact CD2-CB 4.27Å; L83-P115 HydrophobicContact CD2-CG 3.77Å; L83-P115 HydrophobicContact CG-CB 3.97Å; L83-P115 HydrophobicContact CG-CG 3.8Å; L83-L131 HydrophobicContact CD1-CD2 4.25Å
84H98.6Very high97.8Very high0 Ų041.2 Ų41.20%020%0.198CC..Hα-helixtrans-63.6-41.2175.4-69.789.2000111.9K80 R81 P82 S88 S107 K109 W113 M118K80-H84 HydrophobicContact CB-CB 4.2Å; K80-H84 HydrophobicContact CG-CB 4.42Å; R81-H84 PolarHBondContact N-ND1 3.2Å; R81-H84 VanDerWaalsContact N-ND1 3.17Å; R81-H84 VanDerWaalsContact O-CB 3.3Å; R81-H84 WeakPolarHBondContact O-CB 3.15Å; R81-H84 PolarHBondContact O-N 3.23Å; P82-H84 VanDerWaalsContact C-N 3.3Å; P82-H84 PolarHBondContact O-N 3.2Å; H84-S88 WeakPolarHBondContact O-CB 3.3Å; H84-S88 PolarHBondContact O-N 3.1Å; H84-S107 PolarHBondContact CE1-O 3.17Å; H84-S107 PolarHBondContact CE1-OG 2.94Å; H84-S107 VanDerWaalsContact CE1-OG 3.27Å; H84-S107 PolarHBondContact NE2-O 3.37Å; H84-S107 VanDerWaalsContact NE2-O 3.15Å; H84-K109 PolarHBondContact NE2-N 3.28Å; H84-W113 PolarHBondContact NE2-O 3.15Å; H84-M118 HydrophobicContact CB-SD 3.68Å
85E98.1Very high97.9Very high6 Ų640.5 Ų40.53%0.02819%0.194CC..Hα-helixtrans-70.4-47-179.5-67.9-67.7166.700111.4A53 R54 K80 R81 P82 A87 S88 M89A53-E85 HydrophobicContact CB-CB 4.34Å; R54-E85 HydrophobicContact CB-CB 4.06Å; R54-E85 IonicContact CZ-OE1 3.96Å; R54-E85 IonicContact CZ-OE2 2.9Å; R54-E85 IonicContact NE-OE1 3.03Å; R54-E85 IonicContact NE-OE2 3.69Å; R54-E85 PolarHBondContact NE-OE2 3.08Å; R54-E85 IonicContact NH2-OE1 3.99Å; R54-E85 PolarHBondContact NH2-OE1 3.25Å; R54-E85 IonicContact NH2-OE2 3.44Å; R54-E85 PolarHBondContact NH2-OE2 3.33Å; K80-E85 WeakPolarHBondContact CD-OE1 3.31Å; K80-E85 IonicContact NZ-OE1 2.64Å; K80-E85 PolarHBondContact NZ-OE1 3.37Å; R81-E85 PolarHBondContact O-N 3.32Å; P82-E85 PolarHBondContact O-N 3.02Å; P82-E85 VanDerWaalsContact O-N 3.1Å; E85-A87 PolarHBondContact O-N 3.49Å; E85-S88 PolarHBondContact O-N 3Å; E85-M89 WeakPolarHBondContact O-CB 3.38Å; E85-M89 VanDerWaalsContact O-CG 3.32Å; E85-M89 WeakPolarHBondContact O-CG 3.4Å; E85-M89 PolarHBondContact O-N 2.88Å
86A98.5Very high98Very high0 Ų036.1 Ų36.10%018%0.176CC..Hα-helixtrans-60.7-45.4176.100000111.6A53 P82 M89 G90 H91 C94 V95 L98A53-A86 HydrophobicContact CB-CB 4.15Å; A53-A86 WeakPolarHBondContact O-CA 3.44Å; P82-A86 PolarHBondContact O-N 3.22Å; A86-M89 PolarHBondContact O-N 2.95Å; A86-G90 PolarHBondContact O-N 3.18Å; A86-H91 HydrophobicContact CB-CB 4.48Å; A86-H91 PolarHBondContact O-N 3.14Å; A86-C94 HydrophobicContact CB-CB 3.93Å; A86-V95 HydrophobicContact CB-CG2 3.71Å; A86-L98 HydrophobicContact CB-CD1 4.2Å
87A98.4Very high98.1Very high0 Ų036.4 Ų36.40%018%0.177CC..Hα-helixtrans-63.6-44.9178.100000112.1L83 E85 M89 G90 V95 P115 A119 V127 L131L83-A87 WeakPolarHBondContact O-CB 3.27Å; L83-A87 PolarHBondContact O-N 3.47Å; E85-A87 PolarHBondContact O-N 3.49Å; A87-M89 PolarHBondContact O-N 3.34Å; A87-G90 PolarHBondContact O-N 3.35Å; A87-V95 HydrophobicContact CB-CG2 4.25Å; A87-P115 HydrophobicContact CB-CB 3.96Å; A87-A119 HydrophobicContact CB-CB 4.33Å; A87-V127 HydrophobicContact CB-CG1 4.03Å; A87-L131 HydrophobicContact CB-CD1 4.08Å
88S97Very high98.2Very high14 Ų1431.1 Ų31.110%0.09815%0.149CC..Hα-helixtrans-66.8-20178.5-174.20000114H84 E85 R122H84-S88 WeakPolarHBondContact O-CB 3.3Å; H84-S88 PolarHBondContact O-N 3.1Å; E85-S88 PolarHBondContact O-N 3Å; S88-R122 WeakPolarHBondContact O-CG 3.17Å; S88-R122 PolarHBondContact O-NE 3.08Å
89M97.6Very high98.3Very high74 Ų7430.6 Ų30.637%0.36515%0.146SC..Hα-helixtrans-107.3-5.7-177.5-65.9-58-6000113.2R54 E85 A86 A87 H91R54-M89 HydrophobicContact CG-CG 4.01Å; R54-M89 WeakPolarHBondContact O-CB 3.33Å; R54-M89 WeakPolarHBondContact O-CG 3.4Å; E85-M89 WeakPolarHBondContact O-CB 3.38Å; E85-M89 VanDerWaalsContact O-CG 3.32Å; E85-M89 WeakPolarHBondContact O-CG 3.4Å; E85-M89 PolarHBondContact O-N 2.88Å; A86-M89 PolarHBondContact O-N 2.95Å; A87-M89 PolarHBondContact O-N 3.34Å; M89-H91 VanDerWaalsContact CB-CD2 3.49Å; M89-H91 WeakPolarHBondContact CB-CD2 3.44Å; M89-H91 WeakPolarHBondContact CB-NE2 3.43Å
90G97.2Very high98.3Very high23 Ų2331.4 Ų31.424%0.23715%0.154CC..THydrogen-bonded Turntrans89.615.6173.700000115.4A86 A87 E92 N124A86-G90 PolarHBondContact O-N 3.18Å; A87-G90 PolarHBondContact O-N 3.35Å; G90-E92 PolarHBondContact O-N 3.23Å; G90-E92 VanDerWaalsContact O-N 3.1Å; G90-N124 WeakPolarHBondContact CA-ND2 3.31Å; G90-N124 PolarHBondContact N-ND2 3.32Å
91H98.3Very high98.4Very high51 Ų5132.8 Ų32.824%0.23616%0.161CC..  trans-87.181.8-173.8-58.1-53.8000110.9A53 R54 G56 A86 M89 E93 C94 V95A53-H91 PolarHBondContact O-CD2 3.33Å; R54-H91 PolarHBondContact O-CD2 2.87Å; R54-H91 PolarHBondContact O-NE2 3.47Å; G56-H91 VanDerWaalsContact CA-CG 3.41Å; G56-H91 PolarHBondContact N-CD2 2.95Å; G56-H91 PolarHBondContact N-NE2 2.97Å; A86-H91 HydrophobicContact CB-CB 4.48Å; A86-H91 PolarHBondContact O-N 3.14Å; M89-H91 VanDerWaalsContact CB-CD2 3.49Å; M89-H91 WeakPolarHBondContact CB-CD2 3.44Å; M89-H91 WeakPolarHBondContact CB-NE2 3.43Å; H91-E93 VanDerWaalsContact C-N 3.35Å; H91-E93 PolarHBondContact O-N 2.99Å; H91-C94 HydrophobicContact CB-CB 3.87Å; H91-C94 WeakPolarHBondContact O-CB 3.46Å; H91-C94 PolarHBondContact O-N 3.25Å; H91-V95 WeakPolarHBondContact O-CG2 3.28Å; H91-V95 PolarHBondContact O-N 3.15Å
92E98.4Very high98.3Very high70 Ų7033 Ų3333%0.32718%0.179SC..Hα-helixtrans-54.4-45.8-174.9-170-158.3155.300113.2G90 C94 V95 G96 E126 V127 K130G90-E92 PolarHBondContact O-N 3.23Å; G90-E92 VanDerWaalsContact O-N 3.1Å; E92-C94 VanDerWaalsContact C-N 3.35Å; E92-C94 PolarHBondContact O-N 3.5Å; E92-V95 WeakPolarHBondContact O-CB 3.29Å; E92-V95 PolarHBondContact O-N 3.4Å; E92-G96 PolarHBondContact O-N 3.37Å; E92-E126 HydrophobicContact CB-CB 4.49Å; E92-E126 HydrophobicContact CG-CB 4.25Å; E92-E126 WeakPolarHBondContact OE2-CB 3.49Å; E92-V127 HydrophobicContact CB-CG2 4.21Å; E92-K130 HydrophobicContact CG-CB 4.4Å; E92-K130 WeakPolarHBondContact OE1-CE 3.2Å; E92-K130 IonicContact OE1-NZ 3.64Å; E92-K130 PolarHBondContact OE1-NZ 3.05Å
93E98.5Very high98.3Very high146 Ų14633.4 Ų33.468%0.68218%0.182SC*.Hα-helixtrans-64.4-41.7-178.3-58.8-174.1145.200111.4L58 H91 V95 G96 F97L58-E93 HydrophobicContact CD2-CB 4.09Å; H91-E93 VanDerWaalsContact C-N 3.35Å; H91-E93 PolarHBondContact O-N 2.99Å; E93-V95 PolarHBondContact O-N 3.32Å; E93-G96 PolarHBondContact O-N 2.9Å; E93-F97 WeakPolarHBondContact O-CB 3.35Å; E93-F97 PolarHBondContact O-N 3.43Å
94C98.7Very high98.3Very high2 Ų237.3 Ų37.31%0.01420%0.203CC..Hα-helixtrans-63.8-39.7174.7-66.60000111.9G56 M61 A86 H91 E92 L98G56-C94 VanDerWaalsContact C-SG 3.59Å; M61-C94 HydrophobicContact CE-CB 4.06Å; M61-C94 HydrophobicContact SD-CB 3.66Å; M61-C94 PolarHBondContact SD-SG 2.84Å; A86-C94 HydrophobicContact CB-CB 3.93Å; H91-C94 HydrophobicContact CB-CB 3.87Å; H91-C94 WeakPolarHBondContact O-CB 3.46Å; H91-C94 PolarHBondContact O-N 3.25Å; E92-C94 VanDerWaalsContact C-N 3.35Å; E92-C94 PolarHBondContact O-N 3.5Å; C94-L98 WeakPolarHBondContact O-CB 3.47Å; C94-L98 VanDerWaalsContact O-CG 3.23Å; C94-L98 WeakPolarHBondContact O-CG 3.47Å; C94-L98 PolarHBondContact O-N 3.1Å
95V98.8Very high98.3Very high0 Ų038.3 Ų38.30%021%0.209CC..Hα-helixtrans-62.4-48.4174.4168.50000110.6L83 A86 A87 H91 E92 E93 F97 L98 L99 V127 K130 L131L83-V95 HydrophobicContact CD1-CB 4.39Å; L83-V95 HydrophobicContact CD1-CG1 3.97Å; L83-V95 HydrophobicContact CD1-CG2 4.35Å; A86-V95 HydrophobicContact CB-CG2 3.71Å; A87-V95 HydrophobicContact CB-CG2 4.25Å; H91-V95 WeakPolarHBondContact O-CG2 3.28Å; H91-V95 PolarHBondContact O-N 3.15Å; E92-V95 WeakPolarHBondContact O-CB 3.29Å; E92-V95 PolarHBondContact O-N 3.4Å; E93-V95 PolarHBondContact O-N 3.32Å; V95-F97 VanDerWaalsContact C-N 3.35Å; V95-F97 PolarHBondContact O-N 3.44Å; V95-L98 PolarHBondContact O-N 3.18Å; V95-L99 HydrophobicContact CG1-CD1 3.7Å; V95-L99 WeakPolarHBondContact O-CD1 3.47Å; V95-L99 VanDerWaalsContact O-CG 3.24Å; V95-L99 WeakPolarHBondContact O-CG 3.32Å; V95-L99 PolarHBondContact O-N 3.33Å; V95-L99 VanDerWaalsContact O-N 3.09Å; V95-V127 HydrophobicContact CG2-CG1 4.17Å; V95-V127 HydrophobicContact CG2-CG2 4.43Å; V95-K130 HydrophobicContact CG1-CB 4.4Å; V95-K130 HydrophobicContact CG1-CG 4.1Å; V95-L131 HydrophobicContact CG1-CD2 3.92Å; V95-L131 HydrophobicContact CG1-CG 4.11Å
96G98.7Very high98.4Very high5 Ų539.6 Ų39.65%0.05222%0.216CC..Hα-helixtrans-59.1-45.6178.400000112.3E92 E93 L99 Q100E92-G96 PolarHBondContact O-N 3.37Å; E93-G96 PolarHBondContact O-N 2.9Å; G96-L99 PolarHBondContact O-N 3.17Å; G96-Q100 VanDerWaalsContact O-CG 3.27Å; G96-Q100 WeakPolarHBondContact O-CG 3.46Å; G96-Q100 PolarHBondContact O-N 3.32Å
97F98.8Very high98.3Very high13 Ų1339.8 Ų39.86%0.05722%0.218CC..Hα-helixtrans-61.2-49.8177.1176.5-112.7000112.5L58 M61 E62 I65 Q66 E93 V95 L99 Q100 E101L58-F97 HydrophobicContact CD1-CB 3.48Å; L58-F97 VanDerWaalsContact CD1-CB 3.48Å; L58-F97 HydrophobicContact CD1-CD1 3.81Å; L58-F97 HydrophobicContact CD1-CD2 4.38Å; L58-F97 HydrophobicContact CD1-CG 3.63Å; M61-F97 HydrophobicContact CB-CD1 4.17Å; M61-F97 HydrophobicContact CB-CE1 4.04Å; M61-F97 HydrophobicContact CE-CD1 4.29Å; E62-F97 HydrophobicContact CB-CZ 4.23Å; E62-F97 HydrophobicContact CG-CD2 4.25Å; E62-F97 HydrophobicContact CG-CE1 4.1Å; E62-F97 HydrophobicContact CG-CE2 3.82Å; E62-F97 HydrophobicContact CG-CZ 3.75Å; I65-F97 HydrophobicContact CB-CE1 4.43Å; I65-F97 HydrophobicContact CB-CZ 4.4Å; I65-F97 HydrophobicContact CD1-CD1 4.44Å; I65-F97 HydrophobicContact CD1-CE1 3.66Å; I65-F97 HydrophobicContact CD1-CZ 4.35Å; Q66-F97 HydrophobicContact CG-CZ 4.27Å; E93-F97 WeakPolarHBondContact O-CB 3.35Å; E93-F97 PolarHBondContact O-N 3.43Å; V95-F97 VanDerWaalsContact C-N 3.35Å; V95-F97 PolarHBondContact O-N 3.44Å; F97-L99 VanDerWaalsContact C-N 3.3Å; F97-L99 PolarHBondContact O-N 2.97Å; F97-Q100 WeakPolarHBondContact O-CB 3.32Å; F97-Q100 PolarHBondContact O-N 3.43Å; F97-Q100 VanDerWaalsContact O-N 3.12Å; F97-E101 HydrophobicContact CD2-CG 4.11Å; F97-E101 HydrophobicContact CE1-CG 4.11Å; F97-E101 HydrophobicContact CE2-CG 3.56Å; F97-E101 WeakPolarHBondContact CE2-OE1 3.42Å; F97-E101 HydrophobicContact CZ-CG 3.56Å; F97-E101 WeakPolarHBondContact O-CG 3.13Å; F97-E101 PolarHBondContact O-N 2.97Å
98L98.8Very high98.3Very high0 Ų043.7 Ų43.70%024%0.238CC..Hα-helixtrans-58.2-41.6178.8-73.1169.3000112.5M61 I65 V72 P82 L83 A86 C94 V95 Q100 E101 G102 A103M61-L98 HydrophobicContact CE-CD1 3.48Å; M61-L98 VanDerWaalsContact CE-CD1 3.48Å; M61-L98 HydrophobicContact CE-CD2 3.46Å; M61-L98 VanDerWaalsContact CE-CD2 3.46Å; M61-L98 HydrophobicContact CE-CG 3.3Å; I65-L98 HydrophobicContact CD1-CD2 3.87Å; V72-L98 HydrophobicContact CG2-CB 4.46Å; V72-L98 HydrophobicContact CG2-CD2 3.55Å; P82-L98 HydrophobicContact CB-CD1 3.92Å; P82-L98 HydrophobicContact CB-CD2 3.99Å; L83-L98 HydrophobicContact CB-CD1 4.17Å; L83-L98 HydrophobicContact CD1-CB 4.24Å; L83-L98 HydrophobicContact CD1-CD1 4.35Å; A86-L98 HydrophobicContact CB-CD1 4.2Å; C94-L98 WeakPolarHBondContact O-CB 3.47Å; C94-L98 VanDerWaalsContact O-CG 3.23Å; C94-L98 WeakPolarHBondContact O-CG 3.47Å; C94-L98 PolarHBondContact O-N 3.1Å; V95-L98 PolarHBondContact O-N 3.18Å; L98-Q100 VanDerWaalsContact C-N 3.35Å; L98-E101 CarbonylContact O-C 3.46Å; L98-E101 PolarHBondContact O-N 2.95Å; L98-G102 PolarHBondContact O-N 2.94Å; L98-A103 HydrophobicContact CB-CB 4.03Å; L98-A103 WeakPolarHBondContact O-CB 3.42Å; L98-A103 PolarHBondContact O-N 3.1Å
99L98.8Very high98.3Very high17 Ų1744.2 Ų44.29%0.08924%0.239CC..Hα-helixtrans-67.6-35178.4-66.9164.7000112.2L83 V95 G96 F97 G102 V105 K130 L131 H134L83-L99 HydrophobicContact CD1-CD2 4.24Å; L83-L99 HydrophobicContact CD1-CG 4.12Å; L83-L99 HydrophobicContact CD2-CD2 3.81Å; V95-L99 HydrophobicContact CG1-CD1 3.7Å; V95-L99 WeakPolarHBondContact O-CD1 3.47Å; V95-L99 VanDerWaalsContact O-CG 3.24Å; V95-L99 WeakPolarHBondContact O-CG 3.32Å; V95-L99 PolarHBondContact O-N 3.33Å; V95-L99 VanDerWaalsContact O-N 3.09Å; G96-L99 PolarHBondContact O-N 3.17Å; F97-L99 VanDerWaalsContact C-N 3.3Å; F97-L99 PolarHBondContact O-N 2.97Å; L99-G102 PolarHBondContact O-N 3.21Å; L99-V105 HydrophobicContact CD2-CB 3.79Å; L99-V105 HydrophobicContact CD2-CG2 3.88Å; L99-K130 HydrophobicContact CD1-CG 4.4Å; L99-L131 HydrophobicContact CD1-CD2 4.23Å; L99-H134 HydrophobicContact CD1-CB 3.81Å; L99-H134 HydrophobicContact CD2-CB 4.37Å; L99-H134 HydrophobicContact CG-CB 4.49Å
100Q98.4Very high98.3Very high146 Ų14648.3 Ų48.368%0.68225%0.25SS*.Hα-helixtrans-67.5-36.8173.9-72.51696.800112.1G96 F97 L98 G102G96-Q100 VanDerWaalsContact O-CG 3.27Å; G96-Q100 WeakPolarHBondContact O-CG 3.46Å; G96-Q100 PolarHBondContact O-N 3.32Å; F97-Q100 WeakPolarHBondContact O-CB 3.32Å; F97-Q100 PolarHBondContact O-N 3.43Å; F97-Q100 VanDerWaalsContact O-N 3.12Å; L98-Q100 VanDerWaalsContact C-N 3.35Å; Q100-G102 PolarHBondContact O-N 2.84Å
101E98.4Very high98.3Very high71 Ų7148.6 Ų48.633%0.33225%0.251SS..THydrogen-bonded Turntrans-78.18.6175-64.1-6615700113I65 Q66 V72 F97 L98I65-E101 HydrophobicContact CG2-CB 4.35Å; I65-E101 HydrophobicContact CG2-CG 4.08Å; Q66-E101 PolarHBondContact NE2-OE1 3.06Å; V72-E101 HydrophobicContact CG2-CB 4.29Å; F97-E101 HydrophobicContact CD2-CG 4.11Å; F97-E101 HydrophobicContact CE1-CG 4.11Å; F97-E101 HydrophobicContact CE2-CG 3.56Å; F97-E101 WeakPolarHBondContact CE2-OE1 3.42Å; F97-E101 HydrophobicContact CZ-CG 3.56Å; F97-E101 WeakPolarHBondContact O-CG 3.13Å; F97-E101 PolarHBondContact O-N 2.97Å; L98-E101 CarbonylContact O-C 3.46Å; L98-E101 PolarHBondContact O-N 2.95Å
102G97.7Very high98.3Very high54 Ų5449.1 Ų49.156%0.55726%0.255SS*.THydrogen-bonded Turntrans90.717.517100000115.5L98 L99 Q100 N104L98-G102 PolarHBondContact O-N 2.94Å; L99-G102 PolarHBondContact O-N 3.21Å; Q100-G102 PolarHBondContact O-N 2.84Å; G102-N104 PolarHBondContact O-N 2.83Å
103A98.6Very high98.3Very high9 Ų947.6 Ų47.67%0.07425%0.246CC..  trans-58.3137.1171.800000111.2V72 E73 L83 L98 V105V72-A103 HydrophobicContact CG2-CB 3.89Å; E73-A103 VanDerWaalsContact OE1-CA 3.23Å; E73-A103 WeakPolarHBondContact OE1-CA 3.36Å; L83-A103 HydrophobicContact CB-CB 4.41Å; L83-A103 HydrophobicContact CD2-CB 4.08Å; L98-A103 HydrophobicContact CB-CB 4.03Å; L98-A103 WeakPolarHBondContact O-CB 3.42Å; L98-A103 PolarHBondContact O-N 3.1Å; A103-V105 PolarHBondContact O-N 3.23Å
104N98.6Very high98.3Very high83 Ų8340.7 Ų40.744%0.44421%0.214SC..  trans-73.3112.1176.3179.12.5000109.9E73 L83 G102 D106 S107E73-N104 PolarHBondContact OE1-N 2.89Å; E73-N104 WeakPolarHBondContact OE2-CB 3.5Å; L83-N104 WeakPolarHBondContact CD2-O 2.98Å; G102-N104 PolarHBondContact O-N 2.83Å; N104-D106 PolarHBondContact O-N 2.87Å; N104-D106 PolarHBondContact OD1-N 3.41Å; N104-D106 VanDerWaalsContact OD1-N 3.16Å; N104-S107 VanDerWaalsContact O-CB 3.29Å; N104-S107 WeakPolarHBondContact O-CB 3.39Å; N104-S107 PolarHBondContact O-N 3.45Å; N104-S107 PolarHBondContact O-OG 2.97Å
105V98.8Very high98.3Very high20 Ų2040.6 Ų40.612%0.12121%0.213CC..THydrogen-bonded Turntrans-55.9-34.6-176.370.40000113.2L99 A103 P115 L131 H134 A136L99-V105 HydrophobicContact CD2-CB 3.79Å; L99-V105 HydrophobicContact CD2-CG2 3.88Å; A103-V105 PolarHBondContact O-N 3.23Å; V105-P115 WeakPolarHBondContact O-CD 3.23Å; V105-P115 WeakPolarHBondContact O-CG 3.42Å; V105-L131 HydrophobicContact CG2-CD2 4.07Å; V105-H134 HydrophobicContact CG2-CB 4.42Å; V105-A136 HydrophobicContact CG2-CB 3.61Å
106D98.7Very high98.3Very high33 Ų3340.6 Ų40.618%0.17621%0.213CC..THydrogen-bonded Turntrans-108.825.2-178.4-72.2-34.2000112.4N104 A136 D137 L140N104-D106 PolarHBondContact O-N 2.87Å; N104-D106 PolarHBondContact OD1-N 3.41Å; N104-D106 VanDerWaalsContact OD1-N 3.16Å; D106-A136 WeakPolarHBondContact OD1-CA 3.39Å; D106-D137 PolarHBondContact OD1-N 3.15Å; D106-D137 VanDerWaalsContact OD1-N 3.12Å; D106-D137 PolarHBondContact OD2-N 2.89Å; D106-D137 VanDerWaalsContact OD2-N 3.07Å; D106-L140 HydrophobicContact CB-CD1 3.57Å; D106-L140 VanDerWaalsContact CG-CD1 3.47Å
107S98.1Very high98.3Very high4 Ų440.4 Ų40.43%0.02821%0.211CC..  trans-54.1145.8172.350.80000111.5H84 N104 P115H84-S107 PolarHBondContact CE1-O 3.17Å; H84-S107 PolarHBondContact CE1-OG 2.94Å; H84-S107 VanDerWaalsContact CE1-OG 3.27Å; H84-S107 PolarHBondContact NE2-O 3.37Å; H84-S107 VanDerWaalsContact NE2-O 3.15Å; N104-S107 VanDerWaalsContact O-CB 3.29Å; N104-S107 WeakPolarHBondContact O-CB 3.39Å; N104-S107 PolarHBondContact O-N 3.45Å; N104-S107 PolarHBondContact O-OG 2.97Å; S107-P115 VanDerWaalsContact O-CD 3.27Å; S107-P115 WeakPolarHBondContact O-CD 3.44Å
108L98.1Very high98.3Very high82 Ų8240.5 Ų40.543%0.42921%0.212SC..  trans-108.7125-176.3-58.5-179.8000110.6D112 T114L108-D112 HydrophobicContact CD1-CB 4.4Å; L108-T114 HydrophobicContact CD2-CG2 3.74Å
109K97.3Very high98.2Very high25 Ų2540.5 Ų40.511%0.10921%0.212CC..BIsolated β-bridgetrans-85.6-178.9161.573.8158.5-167.768.10111Y79 K80 H84 A111 D112 W113 M118Y79-K109 WeakPolarHBondContact O-CA 3.45Å; K80-K109 HydrophobicContact CB-CB 4.44Å; K80-K109 HydrophobicContact CD-CD 4.28Å; K80-K109 HydrophobicContact CG-CB 3.83Å; K80-K109 HydrophobicContact CG-CD 3.59Å; K80-K109 HydrophobicContact CG-CG 4.32Å; H84-K109 PolarHBondContact NE2-N 3.28Å; K109-A111 PolarHBondContact O-N 3.3Å; K109-D112 WeakPolarHBondContact O-CA 3.35Å; K109-D112 PolarHBondContact O-N 2.84Å; K109-W113 HydrophobicContact CD-CB 4.05Å; K109-W113 HydrophobicContact CG-CB 3.55Å; K109-W113 WeakPolarHBondContact CG-O 3.3Å; K109-W113 PolarHBondContact N-O 2.66Å; K109-M118 HydrophobicContact CD-SD 3.8Å
110R97.1Very high98.2Very high160 Ų16039.7 Ų39.760%0.60421%0.208SC*.THydrogen-bonded Turntrans-51.5140.3175.8-172.6172.758.1155.7-3.4111.6D78 Y79D78-R110 VanDerWaalsContact O-CB 3.31Å; D78-R110 WeakPolarHBondContact O-CB 3.47Å; D78-R110 PolarHBondContact O-N 2.92Å; D78-R110 WeakPolarHBondContact OD1-CB 3.42Å; D78-R110 IonicContact OD1-CZ 3.33Å; D78-R110 IonicContact OD1-NE 2.82Å; D78-R110 PolarHBondContact OD1-NE 3.15Å; D78-R110 IonicContact OD1-NH2 2.85Å; D78-R110 PolarHBondContact OD1-NH2 3.33Å; Y79-R110 HydrophobicContact CD2-CB 4.45Å
111A97.3Very high98.1Very high30 Ų3034.9 Ų34.925%0.24819%0.188CC..THydrogen-bonded Turntrans65.323.8-17300000114.3K109 W113 N142 K143K109-A111 PolarHBondContact O-N 3.3Å; A111-W113 VanDerWaalsContact C-N 3.35Å; A111-W113 PolarHBondContact O-N 3.35Å; A111-N142 WeakPolarHBondContact O-CB 3.44Å; A111-K143 HydrophobicContact CB-CB 4.5Å; A111-K143 HydrophobicContact CB-CD 4.23Å; A111-K143 HydrophobicContact CB-CG 4.34Å; A111-K143 PolarHBondContact O-N 3.37Å
112D98.1Very high97.7Very high61 Ų6137.9 Ų37.933%0.32620%0.197SC..THydrogen-bonded Turntrans62.640.6170.3-46.2-27.3000112.6L108 K109 N142 K143L108-D112 HydrophobicContact CD1-CB 4.4Å; K109-D112 WeakPolarHBondContact O-CA 3.35Å; K109-D112 PolarHBondContact O-N 2.84Å; D112-N142 WeakPolarHBondContact O-CA 3.21Å; D112-N142 WeakPolarHBondContact O-CB 3.1Å; D112-K143 HydrophobicContact CB-CG 4.48Å; D112-K143 WeakPolarHBondContact OD2-CE 3.44Å; D112-K143 WeakPolarHBondContact OD2-CG 3.39Å
113W98.5Very high97.4Very high38 Ų3839.7 Ų39.714%0.14419%0.189CC..BIsolated β-bridgetrans-90.6133.3176-81.867.2000110.7H84 K109 A111 M117 M118 T121 N142 I151H84-W113 PolarHBondContact NE2-O 3.15Å; K109-W113 HydrophobicContact CD-CB 4.05Å; K109-W113 HydrophobicContact CG-CB 3.55Å; K109-W113 WeakPolarHBondContact CG-O 3.3Å; K109-W113 PolarHBondContact N-O 2.66Å; A111-W113 VanDerWaalsContact C-N 3.35Å; A111-W113 PolarHBondContact O-N 3.35Å; W113-M117 HydrophobicContact CB-SD 4.44Å; W113-M117 HydrophobicContact CD2-CB 4.4Å; W113-M117 HydrophobicContact CD2-SD 4.39Å; W113-M117 HydrophobicContact CE3-CB 3.56Å; W113-M117 HydrophobicContact CE3-SD 4.4Å; W113-M117 HydrophobicContact CG-SD 4.43Å; W113-M117 HydrophobicContact CZ3-CB 3.94Å; W113-M118 HydrophobicContact CE3-CG 4.13Å; W113-T121 HydrophobicContact CH2-CG2 4.26Å; W113-T121 HydrophobicContact CZ3-CG2 3.86Å; W113-N142 PolarHBondContact NE1-ND2 3.36Å; W113-I151 HydrophobicContact CH2-CD1 3.39Å; W113-I151 HydrophobicContact CH2-CG1 4.31Å; W113-I151 HydrophobicContact CZ2-CD1 4.05Å; W113-I151 HydrophobicContact CZ3-CD1 3.92Å; W113-I151 HydrophobicContact CZ3-CG1 4.36Å
114T98.6Very high97.1Very high1 Ų141.6 Ų41.61%0.00620%0.198CC..  trans-90.4162.517467.90000111.9L108 L116 M117 M118 L140L108-T114 HydrophobicContact CD2-CG2 3.74Å; T114-L116 PolarHBondContact O-N 2.89Å; T114-L116 PolarHBondContact OG1-N 3.32Å; T114-M117 HydrophobicContact CG2-CE 4.33Å; T114-M117 PolarHBondContact O-N 2.76Å; T114-M117 WeakPolarHBondContact OG1-CG 3.36Å; T114-M117 PolarHBondContact OG1-N 2.89Å; T114-M117 VanDerWaalsContact OG1-N 3.16Å; T114-M118 PolarHBondContact O-N 3.16Å; T114-M118 VanDerWaalsContact O-N 3.14Å; T114-L140 HydrophobicContact CG2-CB 4.14Å; T114-L140 HydrophobicContact CG2-CD1 3.81Å
115P98.6Very high96.9Very high0 Ų038.3 Ų38.30%018%0.181CC..Hα-helixtrans-55.1-37.9168.8-26.935000112.9L83 A87 V105 S107 M118 A119 L131L83-P115 HydrophobicContact CB-CG 4.44Å; L83-P115 HydrophobicContact CD2-CB 4.27Å; L83-P115 HydrophobicContact CD2-CG 3.77Å; L83-P115 HydrophobicContact CG-CB 3.97Å; L83-P115 HydrophobicContact CG-CG 3.8Å; A87-P115 HydrophobicContact CB-CB 3.96Å; V105-P115 WeakPolarHBondContact O-CD 3.23Å; V105-P115 WeakPolarHBondContact O-CG 3.42Å; S107-P115 VanDerWaalsContact O-CD 3.27Å; S107-P115 WeakPolarHBondContact O-CD 3.44Å; P115-M118 PolarHBondContact O-N 2.69Å; P115-A119 PolarHBondContact O-N 2.82Å; P115-L131 HydrophobicContact CB-CD1 4.3Å; P115-L131 HydrophobicContact CB-CD2 4.15Å
116L98.8Very high96.9Very high0 Ų041.8 Ų41.80%020%0.195CC..Hα-helixtrans-62.5-45.3177.4-178.862.4000111.9T114 M118 A119 C120 I128 L131 L132 A136 P138T114-L116 PolarHBondContact O-N 2.89Å; T114-L116 PolarHBondContact OG1-N 3.32Å; L116-M118 VanDerWaalsContact C-N 3.28Å; L116-M118 PolarHBondContact O-N 3.13Å; L116-A119 PolarHBondContact O-N 2.95Å; L116-C120 PolarHBondContact O-N 2.74Å; L116-C120 PolarHBondContact O-SG 2.97Å; L116-C120 VanDerWaalsContact O-SG 3.32Å; L116-I128 HydrophobicContact CD1-CB 4.45Å; L116-I128 HydrophobicContact CD1-CG2 3.87Å; L116-L131 HydrophobicContact CB-CD1 4.31Å; L116-L131 HydrophobicContact CD1-CB 4.24Å; L116-L131 HydrophobicContact CD1-CD1 4.32Å; L116-L132 HydrophobicContact CD1-CD2 4.42Å; L116-L132 HydrophobicContact CD1-CG 4.35Å; L116-L132 HydrophobicContact CD2-CD2 3.88Å; L116-A136 HydrophobicContact CB-CB 4.27Å; L116-A136 HydrophobicContact CD2-CB 3.97Å; L116-P138 HydrophobicContact CD2-CB 3.93Å
117M98.4Very high96.9Very high2 Ų240.2 Ų40.21%0.0119%0.187CC..Hα-helixtrans-59.8-40174.1-67.6172.8-171.600111.7W113 T114 C120 T121 L140 N142 W146W113-M117 HydrophobicContact CB-SD 4.44Å; W113-M117 HydrophobicContact CD2-CB 4.4Å; W113-M117 HydrophobicContact CD2-SD 4.39Å; W113-M117 HydrophobicContact CE3-CB 3.56Å; W113-M117 HydrophobicContact CE3-SD 4.4Å; W113-M117 HydrophobicContact CG-SD 4.43Å; W113-M117 HydrophobicContact CZ3-CB 3.94Å; T114-M117 HydrophobicContact CG2-CE 4.33Å; T114-M117 PolarHBondContact O-N 2.76Å; T114-M117 WeakPolarHBondContact OG1-CG 3.36Å; T114-M117 PolarHBondContact OG1-N 2.89Å; T114-M117 VanDerWaalsContact OG1-N 3.16Å; M117-C120 PolarHBondContact O-N 2.81Å; M117-T121 WeakPolarHBondContact O-CG2 3.36Å; M117-T121 PolarHBondContact O-N 3.5Å; M117-L140 WeakPolarHBondContact CE-O 3.1Å; M117-N142 HydrophobicContact CE-CB 4.23Å; M117-N142 HydrophobicContact SD-CB 4.04Å; M117-W146 WeakPolarHBondContact CE-O 3.18Å
118M97.6Very high96.9Very high14 Ų1440 Ų407%0.06919%0.186CC..Hα-helixtrans-66.2-41.7177-67-166.375.100112.1H84 K109 W113 T114 P115 L116 C120 T121H84-M118 HydrophobicContact CB-SD 3.68Å; K109-M118 HydrophobicContact CD-SD 3.8Å; W113-M118 HydrophobicContact CE3-CG 4.13Å; T114-M118 PolarHBondContact O-N 3.16Å; T114-M118 VanDerWaalsContact O-N 3.14Å; P115-M118 PolarHBondContact O-N 2.69Å; L116-M118 VanDerWaalsContact C-N 3.28Å; L116-M118 PolarHBondContact O-N 3.13Å; M118-C120 VanDerWaalsContact C-N 3.34Å; M118-C120 PolarHBondContact O-N 3.34Å; M118-T121 WeakPolarHBondContact O-CB 3.45Å; M118-T121 PolarHBondContact O-N 3.48Å; M118-T121 VanDerWaalsContact O-N 3.12Å; M118-T121 PolarHBondContact O-OG1 2.98Å
119A98Very high96.9Very high0 Ų041.3 Ų41.30%019%0.185CC..Hα-helixtrans-60.6-41.9175.600000112.2A87 P115 L116 T121 R122 K123 V127 I128 L131A87-A119 HydrophobicContact CB-CB 4.33Å; P115-A119 PolarHBondContact O-N 2.82Å; L116-A119 PolarHBondContact O-N 2.95Å; A119-T121 PolarHBondContact O-N 2.93Å; A119-T121 VanDerWaalsContact O-N 3.15Å; A119-R122 PolarHBondContact O-N 3.18Å; A119-K123 PolarHBondContact O-N 3.46Å; A119-V127 HydrophobicContact CB-CB 4.5Å; A119-V127 HydrophobicContact CB-CG1 3.61Å; A119-I128 HydrophobicContact CB-CG1 3.8Å; A119-L131 HydrophobicContact CB-CD1 3.97Å
120C98.1Very high97Very high1 Ų142.8 Ų42.81%0.00719%0.191CC..Hα-helixtrans-60-24.1176.1-68.90000113.3L116 M117 M118 R122 I151L116-C120 PolarHBondContact O-N 2.74Å; L116-C120 PolarHBondContact O-SG 2.97Å; L116-C120 VanDerWaalsContact O-SG 3.32Å; M117-C120 PolarHBondContact O-N 2.81Å; M118-C120 VanDerWaalsContact C-N 3.34Å; M118-C120 PolarHBondContact O-N 3.34Å; C120-R122 VanDerWaalsContact C-N 3.25Å; C120-R122 PolarHBondContact O-N 3.4Å; C120-I151 HydrophobicContact CB-CB 4.1Å; C120-I151 HydrophobicContact CB-CG2 3.73Å
121T95.9Very high97.1Very high44 Ų4435.2 Ų35.227%0.2716%0.163SC..THydrogen-bonded Turntrans-68.5-22.4175.670.30000113.9W113 M117 M118 A119 I151W113-T121 HydrophobicContact CH2-CG2 4.26Å; W113-T121 HydrophobicContact CZ3-CG2 3.86Å; M117-T121 WeakPolarHBondContact O-CG2 3.36Å; M117-T121 PolarHBondContact O-N 3.5Å; M118-T121 WeakPolarHBondContact O-CB 3.45Å; M118-T121 PolarHBondContact O-N 3.48Å; M118-T121 VanDerWaalsContact O-N 3.12Å; M118-T121 PolarHBondContact O-OG1 2.98Å; A119-T121 PolarHBondContact O-N 2.93Å; A119-T121 VanDerWaalsContact O-N 3.15Å; T121-I151 HydrophobicContact CG2-CG2 3.72Å
122R91Very high97.1Very high134 Ų13435.3 Ų35.351%0.50616%0.159SC..THydrogen-bonded Turntrans-109.50.9-175.4-63.2-52.3-169.1123.16.4114.7S88 A119 C120 N124S88-R122 WeakPolarHBondContact O-CG 3.17Å; S88-R122 PolarHBondContact O-NE 3.08Å; A119-R122 PolarHBondContact O-N 3.18Å; C120-R122 VanDerWaalsContact C-N 3.25Å; C120-R122 PolarHBondContact O-N 3.4Å; R122-N124 VanDerWaalsContact CB-ND2 3.33Å; R122-N124 WeakPolarHBondContact CB-ND2 3.19Å; R122-N124 PolarHBondContact O-N 2.66Å
123K91.5Very high97.1Very high93 Ų9336.6 Ų36.640%0.40417%0.173SC..THydrogen-bonded Turntrans61.318.9-178.4-49.1-179.1-175.8-147.70114.8A119 L125 V155 D157A119-K123 PolarHBondContact O-N 3.46Å; K123-L125 PolarHBondContact O-N 2.95Å; K123-V155 HydrophobicContact CD-CG1 3.87Å; K123-V155 WeakPolarHBondContact CE-O 3.27Å; K123-V155 HydrophobicContact CG-CG1 3.31Å; K123-V155 PolarHBondContact NZ-O 3.46Å; K123-D157 HydrophobicContact CB-CB 4.35Å; K123-D157 HydrophobicContact CD-CB 3.93Å; K123-D157 HydrophobicContact CG-CB 3.98Å
124N91Very high97.1Very high48 Ų4838.6 Ų38.626%0.25718%0.184SC..  trans-78.689.4-177.9-67.5-37.5000110.6G90 R122 E126 V127 I128G90-N124 WeakPolarHBondContact CA-ND2 3.31Å; G90-N124 PolarHBondContact N-ND2 3.32Å; R122-N124 VanDerWaalsContact CB-ND2 3.33Å; R122-N124 WeakPolarHBondContact CB-ND2 3.19Å; R122-N124 PolarHBondContact O-N 2.66Å; N124-E126 VanDerWaalsContact C-N 3.26Å; N124-E126 PolarHBondContact O-N 2.7Å; N124-V127 HydrophobicContact CB-CB 4.22Å; N124-V127 HydrophobicContact CB-CG2 4.36Å; N124-V127 PolarHBondContact O-N 3.03Å; N124-I128 VanDerWaalsContact O-CG1 3.28Å; N124-I128 WeakPolarHBondContact O-CG1 3.14Å; N124-I128 PolarHBondContact O-N 3.31Å; N124-I128 VanDerWaalsContact O-N 3.08Å
125L96.1Very high97.1Very high15 Ų1541 Ų418%0.07921%0.209CC..Hα-helixtrans-58.6-36.1-174.7-78.2165.8000113.5K123 I128 R129 Q159 V160 L163K123-L125 PolarHBondContact O-N 2.95Å; L125-I128 PolarHBondContact O-N 2.97Å; L125-R129 VanDerWaalsContact CB-NH2 3.29Å; L125-R129 WeakPolarHBondContact O-CB 3.43Å; L125-R129 WeakPolarHBondContact O-CG 3.43Å; L125-R129 PolarHBondContact O-N 3.49Å; L125-Q159 HydrophobicContact CD1-CB 3.73Å; L125-Q159 HydrophobicContact CD1-CG 4.47Å; L125-Q159 VanDerWaalsContact CD1-OE1 3.29Å; L125-Q159 HydrophobicContact CD2-CB 4Å; L125-Q159 HydrophobicContact CG-CB 4.44Å; L125-V160 HydrophobicContact CD2-CB 4.3Å; L125-V160 HydrophobicContact CD2-CG2 3.6Å; L125-V160 HydrophobicContact CG-CG2 4.05Å; L125-L163 HydrophobicContact CD2-CD2 4.03Å
126E97.4Very high97.1Very high92 Ų9241.3 Ų41.343%0.4321%0.211SC..Hα-helixtrans-66.8-45.1-177.1-70.857.9-124.400110.6E92 N124 R129 K130E92-E126 HydrophobicContact CB-CB 4.49Å; E92-E126 HydrophobicContact CG-CB 4.25Å; E92-E126 WeakPolarHBondContact OE2-CB 3.49Å; N124-E126 VanDerWaalsContact C-N 3.26Å; N124-E126 PolarHBondContact O-N 2.7Å; E126-R129 PolarHBondContact O-N 2.95Å; E126-R129 IonicContact OE1-CZ 3.26Å; E126-R129 IonicContact OE1-NH2 2.83Å; E126-R129 PolarHBondContact OE1-NH2 3.25Å; E126-K130 WeakPolarHBondContact O-CB 3.19Å; E126-K130 PolarHBondContact O-N 3.21Å
127V98.6Very high97.1Very high1 Ų144 Ų441%0.00623%0.225CC..Hα-helixtrans-62.4-44.8172.7167.80000111.1A87 E92 V95 A119 N124 R129 K130 L131A87-V127 HydrophobicContact CB-CG1 4.03Å; E92-V127 HydrophobicContact CB-CG2 4.21Å; V95-V127 HydrophobicContact CG2-CG1 4.17Å; V95-V127 HydrophobicContact CG2-CG2 4.43Å; A119-V127 HydrophobicContact CB-CB 4.5Å; A119-V127 HydrophobicContact CB-CG1 3.61Å; N124-V127 HydrophobicContact CB-CB 4.22Å; N124-V127 HydrophobicContact CB-CG2 4.36Å; N124-V127 PolarHBondContact O-N 3.03Å; V127-R129 PolarHBondContact O-N 2.66Å; V127-K130 PolarHBondContact O-N 3.34Å; V127-L131 HydrophobicContact CG1-CD1 3.85Å; V127-L131 HydrophobicContact CG1-CG 4.39Å; V127-L131 WeakPolarHBondContact O-CG 3.37Å; V127-L131 PolarHBondContact O-N 3.33Å
128I98.7Very high97.1Very high0 Ų044.4 Ų44.40%023%0.228CC..Hα-helixtrans-60.9-46.3178.8-65.3164.9000110L116 A119 N124 L125 K130 L131 L132 V160 L163 L164L116-I128 HydrophobicContact CD1-CB 4.45Å; L116-I128 HydrophobicContact CD1-CG2 3.87Å; A119-I128 HydrophobicContact CB-CG1 3.8Å; N124-I128 VanDerWaalsContact O-CG1 3.28Å; N124-I128 WeakPolarHBondContact O-CG1 3.14Å; N124-I128 PolarHBondContact O-N 3.31Å; N124-I128 VanDerWaalsContact O-N 3.08Å; L125-I128 PolarHBondContact O-N 2.97Å; I128-K130 VanDerWaalsContact C-N 3.35Å; I128-K130 PolarHBondContact O-N 3.22Å; I128-L131 PolarHBondContact O-N 2.86Å; I128-L132 HydrophobicContact CG2-CD1 3.87Å; I128-L132 HydrophobicContact CG2-CG 4.46Å; I128-L132 WeakPolarHBondContact O-CB 3.47Å; I128-L132 VanDerWaalsContact O-CG 3.24Å; I128-L132 WeakPolarHBondContact O-CG 3.37Å; I128-L132 PolarHBondContact O-N 2.88Å; I128-V160 HydrophobicContact CD1-CB 4.35Å; I128-V160 HydrophobicContact CD1-CG1 3.56Å; I128-V160 HydrophobicContact CD1-CG2 3.83Å; I128-L163 HydrophobicContact CB-CD2 4.13Å; I128-L163 HydrophobicContact CG2-CD2 3.56Å; I128-L163 HydrophobicContact CG2-CG 4.42Å; I128-L164 HydrophobicContact CG2-CD2 4.48Å
129R98.5Very high97.1Very high108 Ų10846.9 Ų46.941%0.40825%0.245SC..Hα-helixtrans-58.6-45174.4-80.9-174.4-96-91.28.3111.7L125 E126 V127 L132 S133 L163L125-R129 VanDerWaalsContact CB-NH2 3.29Å; L125-R129 WeakPolarHBondContact O-CB 3.43Å; L125-R129 WeakPolarHBondContact O-CG 3.43Å; L125-R129 PolarHBondContact O-N 3.49Å; E126-R129 PolarHBondContact O-N 2.95Å; E126-R129 IonicContact OE1-CZ 3.26Å; E126-R129 IonicContact OE1-NH2 2.83Å; E126-R129 PolarHBondContact OE1-NH2 3.25Å; V127-R129 PolarHBondContact O-N 2.66Å; R129-L132 PolarHBondContact O-N 3.04Å; R129-S133 WeakPolarHBondContact O-CB 3.46Å; R129-S133 PolarHBondContact O-N 2.98Å; R129-S133 PolarHBondContact O-OG 3.1Å; R129-L163 HydrophobicContact CG-CD1 3.93Å; R129-L163 HydrophobicContact CG-CD2 3.58Å; R129-L163 HydrophobicContact CG-CG 4.42Å
130K98.7Very high97.1Very high57 Ų5749.7 Ų49.725%0.24826%0.259CS..Hα-helixtrans-60.2-51.1178.5-168.576.974.3-164.20111E92 V95 L99 E126 V127 I128 L132 S133 H134E92-K130 HydrophobicContact CG-CB 4.4Å; E92-K130 WeakPolarHBondContact OE1-CE 3.2Å; E92-K130 IonicContact OE1-NZ 3.64Å; E92-K130 PolarHBondContact OE1-NZ 3.05Å; V95-K130 HydrophobicContact CG1-CB 4.4Å; V95-K130 HydrophobicContact CG1-CG 4.1Å; L99-K130 HydrophobicContact CD1-CG 4.4Å; E126-K130 WeakPolarHBondContact O-CB 3.19Å; E126-K130 PolarHBondContact O-N 3.21Å; V127-K130 PolarHBondContact O-N 3.34Å; I128-K130 VanDerWaalsContact C-N 3.35Å; I128-K130 PolarHBondContact O-N 3.22Å; K130-L132 PolarHBondContact O-N 3.16Å; K130-S133 PolarHBondContact O-N 2.96Å; K130-S133 PolarHBondContact O-OG 3.04Å; K130-H134 PolarHBondContact O-CD2 3.23Å; K130-H134 PolarHBondContact O-N 3.04Å; K130-H134 VanDerWaalsContact O-N 3.09Å
131L98.8Very high97.1Very high0 Ų055.8 Ų55.80%028%0.282CS..Hα-helixtrans-57.7-47.4178.5-71.5168.3000111.5L83 A87 V95 L99 V105 P115 L116 A119 V127 I128 S133 H134 G135 A136L83-L131 HydrophobicContact CD1-CD2 4.25Å; A87-L131 HydrophobicContact CB-CD1 4.08Å; V95-L131 HydrophobicContact CG1-CD2 3.92Å; V95-L131 HydrophobicContact CG1-CG 4.11Å; L99-L131 HydrophobicContact CD1-CD2 4.23Å; V105-L131 HydrophobicContact CG2-CD2 4.07Å; P115-L131 HydrophobicContact CB-CD1 4.3Å; P115-L131 HydrophobicContact CB-CD2 4.15Å; L116-L131 HydrophobicContact CB-CD1 4.31Å; L116-L131 HydrophobicContact CD1-CB 4.24Å; L116-L131 HydrophobicContact CD1-CD1 4.32Å; A119-L131 HydrophobicContact CB-CD1 3.97Å; V127-L131 HydrophobicContact CG1-CD1 3.85Å; V127-L131 HydrophobicContact CG1-CG 4.39Å; V127-L131 WeakPolarHBondContact O-CG 3.37Å; V127-L131 PolarHBondContact O-N 3.33Å; I128-L131 PolarHBondContact O-N 2.86Å; L131-S133 PolarHBondContact O-N 3.49Å; L131-H134 CarbonylContact O-C 3.49Å; L131-H134 PolarHBondContact O-N 2.94Å; L131-H134 VanDerWaalsContact O-N 3.13Å; L131-G135 PolarHBondContact O-N 3.44Å; L131-A136 HydrophobicContact CB-CB 3.96Å; L131-A136 VanDerWaalsContact O-CB 3.25Å; L131-A136 WeakPolarHBondContact O-CB 3.41Å; L131-A136 PolarHBondContact O-N 3.21Å
132L98.6Very high97.2Very high32 Ų3254 Ų5417%0.16827%0.271CS..Hα-helixtrans-62.3-40.6177.2-67.9169.8000112.4L116 I128 R129 K130 H134 G135 P138 L163 L164 A167L116-L132 HydrophobicContact CD1-CD2 4.42Å; L116-L132 HydrophobicContact CD1-CG 4.35Å; L116-L132 HydrophobicContact CD2-CD2 3.88Å; I128-L132 HydrophobicContact CG2-CD1 3.87Å; I128-L132 HydrophobicContact CG2-CG 4.46Å; I128-L132 WeakPolarHBondContact O-CB 3.47Å; I128-L132 VanDerWaalsContact O-CG 3.24Å; I128-L132 WeakPolarHBondContact O-CG 3.37Å; I128-L132 PolarHBondContact O-N 2.88Å; R129-L132 PolarHBondContact O-N 3.04Å; K130-L132 PolarHBondContact O-N 3.16Å; L132-H134 PolarHBondContact O-N 2.84Å; L132-G135 PolarHBondContact O-N 3.28Å; L132-P138 HydrophobicContact CD2-CB 4.49Å; L132-P138 HydrophobicContact CD2-CG 4.44Å; L132-L163 HydrophobicContact CD1-CD1 4.37Å; L132-L163 HydrophobicContact CD1-CD2 4.24Å; L132-L163 HydrophobicContact CD1-CG 3.97Å; L132-L164 HydrophobicContact CD1-CD2 4.31Å; L132-A167 HydrophobicContact CD1-CB 3.92Å; L132-A167 HydrophobicContact CD2-CB 4.02Å; L132-A167 HydrophobicContact CG-CB 4.48Å
133S98.2Very high97.5Very high89 Ų8954.1 Ų54.162%0.62228%0.275SS*.Hα-helixtrans-65.5-22.4176.570.30000113.7R129 K130 L131R129-S133 WeakPolarHBondContact O-CB 3.46Å; R129-S133 PolarHBondContact O-N 2.98Å; R129-S133 PolarHBondContact O-OG 3.1Å; K130-S133 PolarHBondContact O-N 2.96Å; K130-S133 PolarHBondContact O-OG 3.04Å; L131-S133 PolarHBondContact O-N 3.49Å
134H98.6Very high97.8Very high79 Ų7953.9 Ų53.937%0.36628%0.278SS..THydrogen-bonded Turntrans-95.513.7173.3-81.6-95.3000113L99 V105 K130 L131 L132L99-H134 HydrophobicContact CD1-CB 3.81Å; L99-H134 HydrophobicContact CD2-CB 4.37Å; L99-H134 HydrophobicContact CG-CB 4.49Å; V105-H134 HydrophobicContact CG2-CB 4.42Å; K130-H134 PolarHBondContact O-CD2 3.23Å; K130-H134 PolarHBondContact O-N 3.04Å; K130-H134 VanDerWaalsContact O-N 3.09Å; L131-H134 CarbonylContact O-C 3.49Å; L131-H134 PolarHBondContact O-N 2.94Å; L131-H134 VanDerWaalsContact O-N 3.13Å; L132-H134 PolarHBondContact O-N 2.84Å
135G98.3Very high98.1Very high52 Ų5252.5 Ų52.554%0.53627%0.273SS..THydrogen-bonded Turntrans86.917.7170.700000115.7L131 L132 D137L131-G135 PolarHBondContact O-N 3.44Å; L132-G135 PolarHBondContact O-N 3.28Å; G135-D137 PolarHBondContact O-N 3.25Å
136A98.7Very high98.2Very high6 Ų653.5 Ų53.55%0.0528%0.276CS..  trans-56129.7172.700000111.1V105 D106 L116 L131 P138V105-A136 HydrophobicContact CG2-CB 3.61Å; D106-A136 WeakPolarHBondContact OD1-CA 3.39Å; L116-A136 HydrophobicContact CB-CB 4.27Å; L116-A136 HydrophobicContact CD2-CB 3.97Å; L131-A136 HydrophobicContact CB-CB 3.96Å; L131-A136 VanDerWaalsContact O-CB 3.25Å; L131-A136 WeakPolarHBondContact O-CB 3.41Å; L131-A136 PolarHBondContact O-N 3.21Å; A136-P138 VanDerWaalsContact O-CD 3.23Å; A136-P138 WeakPolarHBondContact O-CD 3.44Å
137D98.6Very high98.2Very high56 Ų5649.2 Ų49.230%0.29926%0.256SS..  trans-87.8108.7179.2-179.41000111.3D106 G135 T139 L140D106-D137 PolarHBondContact OD1-N 3.15Å; D106-D137 VanDerWaalsContact OD1-N 3.12Å; D106-D137 PolarHBondContact OD2-N 2.89Å; D106-D137 VanDerWaalsContact OD2-N 3.07Å; G135-D137 PolarHBondContact O-N 3.25Å; D137-T139 VanDerWaalsContact CG-OG1 3.25Å; D137-T139 PolarHBondContact O-N 3.49Å; D137-T139 WeakPolarHBondContact OD1-CA 3.13Å; D137-T139 VanDerWaalsContact OD1-CB 3.24Å; D137-T139 WeakPolarHBondContact OD1-CB 3.38Å; D137-T139 WeakPolarHBondContact OD1-CG2 3.42Å; D137-T139 PolarHBondContact OD1-N 3.32Å; D137-T139 PolarHBondContact OD1-OG1 3.42Å; D137-T139 PolarHBondContact OD2-OG1 3.39Å; D137-T139 VanDerWaalsContact OD2-OG1 3.08Å; D137-L140 HydrophobicContact CB-CD1 4.04Å; D137-L140 HydrophobicContact CB-CG 3.88Å; D137-L140 PolarHBondContact O-N 3.18Å
138P98.3Very high98.2Very high11 Ų1149.2 Ų49.27%0.07126%0.256CS..THydrogen-bonded Turntrans-71.7-7.3178.633.3-37.9000113.4L116 L132 A136 N147 S148 L164 A168 V171L116-P138 HydrophobicContact CD2-CB 3.93Å; L132-P138 HydrophobicContact CD2-CB 4.49Å; L132-P138 HydrophobicContact CD2-CG 4.44Å; A136-P138 VanDerWaalsContact O-CD 3.23Å; A136-P138 WeakPolarHBondContact O-CD 3.44Å; P138-N147 WeakPolarHBondContact O-CB 3.45Å; P138-S148 WeakPolarHBondContact CA-OG 3.34Å; P138-S148 WeakPolarHBondContact CB-OG 3.28Å; P138-S148 PolarHBondContact O-OG 2.93Å; P138-L164 HydrophobicContact CB-CD2 4.02Å; P138-A168 HydrophobicContact CB-CB 4.48Å; P138-A168 HydrophobicContact CG-CB 3.4Å; P138-A168 VanDerWaalsContact CG-CB 3.4Å; P138-V171 HydrophobicContact CB-CG2 4.3Å; P138-V171 WeakPolarHBondContact O-CG2 3.44Å
139T98.2Very high98.2Very high67 Ų6749.2 Ų49.241%0.41126%0.256SS..THydrogen-bonded Turntrans-88.9-16.2-178.978.50000113.6D137 R141 A168D137-T139 VanDerWaalsContact CG-OG1 3.25Å; D137-T139 PolarHBondContact O-N 3.49Å; D137-T139 WeakPolarHBondContact OD1-CA 3.13Å; D137-T139 VanDerWaalsContact OD1-CB 3.24Å; D137-T139 WeakPolarHBondContact OD1-CB 3.38Å; D137-T139 WeakPolarHBondContact OD1-CG2 3.42Å; D137-T139 PolarHBondContact OD1-N 3.32Å; D137-T139 PolarHBondContact OD1-OG1 3.42Å; D137-T139 PolarHBondContact OD2-OG1 3.39Å; D137-T139 VanDerWaalsContact OD2-OG1 3.08Å; T139-R141 WeakPolarHBondContact O-CG 3.44Å; T139-A168 HydrophobicContact CG2-CB 4.5Å
140L98.4Very high98.2Very high58 Ų5844.1 Ų44.130%0.30424%0.237SC..  trans-55.2141.6175.7-68.1176.2000111.1D106 T114 M117 D137 N147D106-L140 HydrophobicContact CB-CD1 3.57Å; D106-L140 VanDerWaalsContact CG-CD1 3.47Å; T114-L140 HydrophobicContact CG2-CB 4.14Å; T114-L140 HydrophobicContact CG2-CD1 3.81Å; M117-L140 WeakPolarHBondContact CE-O 3.1Å; D137-L140 HydrophobicContact CB-CD1 4.04Å; D137-L140 HydrophobicContact CB-CG 3.88Å; D137-L140 PolarHBondContact O-N 3.18Å; L140-N147 VanDerWaalsContact O-CA 3.26Å; L140-N147 WeakPolarHBondContact O-CA 3.18Å; L140-N147 VanDerWaalsContact O-CB 3.25Å; L140-N147 WeakPolarHBondContact O-CB 3.22Å
141R98Very high98.2Very high130 Ų13041.4 Ų41.449%0.49123%0.225SC..  trans-119.5137.4-172.7-60.3-172.8-174-169.74.2111.3T139 W146 N147 E175T139-R141 WeakPolarHBondContact O-CG 3.44Å; R141-W146 WeakPolarHBondContact CA-O 3.36Å; R141-N147 HydrophobicContact CG-CB 4.43Å; R141-E175 PolarHBondContact NH1-O 2.97Å
142N98.1Very high98.1Very high7 Ų741.4 Ų41.44%0.03723%0.226CC..  trans-80.1-176.8173.1802.5000111.2A111 D112 W113 M117 D144 A145 W146A111-N142 WeakPolarHBondContact O-CB 3.44Å; D112-N142 WeakPolarHBondContact O-CA 3.21Å; D112-N142 WeakPolarHBondContact O-CB 3.1Å; W113-N142 PolarHBondContact NE1-ND2 3.36Å; M117-N142 HydrophobicContact CE-CB 4.23Å; M117-N142 HydrophobicContact SD-CB 4.04Å; N142-D144 PolarHBondContact O-N 3.3Å; N142-D144 VanDerWaalsContact O-N 3.15Å; N142-D144 WeakPolarHBondContact OD1-CA 3.38Å; N142-D144 WeakPolarHBondContact OD1-CB 3.45Å; N142-D144 PolarHBondContact OD1-N 3.45Å; N142-A145 VanDerWaalsContact O-CA 3.32Å; N142-A145 WeakPolarHBondContact O-CA 3.45Å; N142-A145 PolarHBondContact O-N 3.11Å; N142-A145 PolarHBondContact OD1-N 3.45Å; N142-W146 PolarHBondContact N-O 3.15Å; N142-W146 WeakPolarHBondContact OD1-CB 3.48Å; N142-W146 PolarHBondContact OD1-N 3.48Å
143K97.2Very high98.1Very high135 Ų13539.9 Ų39.959%0.58722%0.218SC*.THydrogen-bonded Turntrans-61.8-21.3-179.8-70.3-167.8178.8-173.40115.7A111 D112A111-K143 HydrophobicContact CB-CB 4.5Å; A111-K143 HydrophobicContact CB-CD 4.23Å; A111-K143 HydrophobicContact CB-CG 4.34Å; A111-K143 PolarHBondContact O-N 3.37Å; D112-K143 HydrophobicContact CB-CG 4.48Å; D112-K143 WeakPolarHBondContact OD2-CE 3.44Å; D112-K143 WeakPolarHBondContact OD2-CG 3.39Å
144D96.1Very high98.1Very high88 Ų8839.1 Ų39.147%0.47120%0.201SC..THydrogen-bonded Turntrans-88.78.3174.4-55.4-49.7000111.9N142 W146 S176 T177N142-D144 PolarHBondContact O-N 3.3Å; N142-D144 VanDerWaalsContact O-N 3.15Å; N142-D144 WeakPolarHBondContact OD1-CA 3.38Å; N142-D144 WeakPolarHBondContact OD1-CB 3.45Å; N142-D144 PolarHBondContact OD1-N 3.45Å; D144-W146 HydrophobicContact CB-CG 4.39Å; D144-W146 VanDerWaalsContact O-CD1 3.3Å; D144-W146 PolarHBondContact O-N 3.04Å; D144-S176 WeakPolarHBondContact O-CA 3.38Å; D144-T177 PolarHBondContact O-N 2.92Å
145A97.9Very high98.1Very high19 Ų1936.8 Ų36.816%0.15719%0.192CC..SBendtrans60.919.3-169.700000114.4N142 T177N142-A145 VanDerWaalsContact O-CA 3.32Å; N142-A145 WeakPolarHBondContact O-CA 3.45Å; N142-A145 PolarHBondContact O-N 3.11Å; N142-A145 PolarHBondContact OD1-N 3.45Å; A145-T177 HydrophobicContact CB-CG2 3.91Å
146W98.3Very high98Very high37 Ų3735.1 Ų35.114%0.1418%0.175CC..  trans-82.4135176.8-73.828.8000111.1M117 R141 N142 D144 H150 I151 R154 T185M117-W146 WeakPolarHBondContact CE-O 3.18Å; R141-W146 WeakPolarHBondContact CA-O 3.36Å; N142-W146 PolarHBondContact N-O 3.15Å; N142-W146 WeakPolarHBondContact OD1-CB 3.48Å; N142-W146 PolarHBondContact OD1-N 3.48Å; D144-W146 HydrophobicContact CB-CG 4.39Å; D144-W146 VanDerWaalsContact O-CD1 3.3Å; D144-W146 PolarHBondContact O-N 3.04Å; W146-H150 HydrophobicContact CB-CB 4Å; W146-H150 HydrophobicContact CD2-CB 3.86Å; W146-H150 HydrophobicContact CE3-CB 3.76Å; W146-H150 HydrophobicContact CG-CB 3.96Å; W146-H150 HydrophobicContact CZ3-CB 4.49Å; W146-I151 HydrophobicContact CE3-CD1 3.52Å; W146-I151 HydrophobicContact CE3-CG1 4.33Å; W146-I151 HydrophobicContact CZ3-CD1 3.99Å; W146-R154 HydrophobicContact CZ3-CB 4.29Å; W146-T185 HydrophobicContact CH2-CG2 3.79Å; W146-T185 HydrophobicContact CZ2-CG2 4.4Å; W146-T185 HydrophobicContact CZ3-CG2 4.19Å
147N98.1Very high98Very high2 Ų236 Ų361%0.01118%0.179CC..  trans-99.5178.5169.369.55.9000111.8P138 L140 R141 F149 H150 I151 V171 S174P138-N147 WeakPolarHBondContact O-CB 3.45Å; L140-N147 VanDerWaalsContact O-CA 3.26Å; L140-N147 WeakPolarHBondContact O-CA 3.18Å; L140-N147 VanDerWaalsContact O-CB 3.25Å; L140-N147 WeakPolarHBondContact O-CB 3.22Å; R141-N147 HydrophobicContact CG-CB 4.43Å; N147-F149 PolarHBondContact O-N 2.9Å; N147-F149 WeakPolarHBondContact OD1-CB 3.34Å; N147-F149 PolarHBondContact OD1-N 3.21Å; N147-H150 PolarHBondContact O-N 3.06Å; N147-H150 PolarHBondContact OD1-N 2.94Å; N147-H150 PolarHBondContact OD1-ND1 3.32Å; N147-I151 PolarHBondContact O-N 3.05Å; N147-V171 VanDerWaalsContact ND2-CG2 3.28Å; N147-V171 WeakPolarHBondContact ND2-CG2 3.03Å; N147-V171 PolarHBondContact ND2-O 2.9Å; N147-S174 PolarHBondContact ND2-OG 3.43Å
148S98.1Very high97.9Very high1 Ų134.7 Ų34.71%0.00717%0.173CC..Hα-helixtrans-60.3-29.3179.661.70000112.6P138 I151 A152P138-S148 WeakPolarHBondContact CA-OG 3.34Å; P138-S148 WeakPolarHBondContact CB-OG 3.28Å; P138-S148 PolarHBondContact O-OG 2.93Å; S148-I151 WeakPolarHBondContact O-CB 3.35Å; S148-I151 PolarHBondContact O-N 3.1Å; S148-A152 PolarHBondContact O-N 3.17Å
149F98.3Very high97.9Very high0 Ų040.2 Ų40.20%020%0.198CC..Hα-helixtrans-68.1-40.5177.9-167-103.2000113.3N147 I151 A152 C153 V161 L164 L165 V171 W172 P182 L198N147-F149 PolarHBondContact O-N 2.9Å; N147-F149 WeakPolarHBondContact OD1-CB 3.34Å; N147-F149 PolarHBondContact OD1-N 3.21Å; F149-I151 VanDerWaalsContact C-N 3.29Å; F149-I151 PolarHBondContact O-N 3.06Å; F149-A152 PolarHBondContact O-N 2.84Å; F149-C153 WeakPolarHBondContact O-CB 3.4Å; F149-C153 PolarHBondContact O-N 3.12Å; F149-C153 PolarHBondContact O-SG 3.27Å; F149-V161 HydrophobicContact CE2-CB 4.38Å; F149-V161 HydrophobicContact CE2-CG1 3.59Å; F149-V161 HydrophobicContact CZ-CG1 3.75Å; F149-L164 HydrophobicContact CB-CD1 4.43Å; F149-L164 HydrophobicContact CD2-CB 3.83Å; F149-L164 HydrophobicContact CD2-CD1 4.17Å; F149-L164 HydrophobicContact CE2-CB 4.44Å; F149-L165 HydrophobicContact CE2-CD1 4.37Å; F149-L165 HydrophobicContact CE2-CD2 3.76Å; F149-L165 HydrophobicContact CE2-CG 3.69Å; F149-L165 HydrophobicContact CZ-CD1 4.39Å; F149-L165 HydrophobicContact CZ-CD2 3.77Å; F149-L165 HydrophobicContact CZ-CG 4.01Å; F149-V171 HydrophobicContact CB-CB 4.39Å; F149-V171 HydrophobicContact CB-CG1 3.84Å; F149-V171 HydrophobicContact CB-CG2 3.72Å; F149-V171 HydrophobicContact CD1-CG1 4.32Å; F149-V171 HydrophobicContact CD2-CG1 3.56Å; F149-V171 HydrophobicContact CE2-CG1 4.16Å; F149-V171 HydrophobicContact CG-CG1 3.65Å; F149-V171 HydrophobicContact CG-CG2 4.42Å; F149-W172 HydrophobicContact CD1-CB 4.06Å; F149-W172 HydrophobicContact CE1-CB 3.47Å; F149-W172 VanDerWaalsContact CE1-CB 3.47Å; F149-W172 HydrophobicContact CZ-CB 3.96Å; F149-P182 HydrophobicContact CD1-CB 3.75Å; F149-P182 HydrophobicContact CD1-CG 3.59Å; F149-P182 HydrophobicContact CE1-CB 3.69Å; F149-P182 HydrophobicContact CE1-CG 3.9Å; F149-L198 HydrophobicContact CE1-CD2 3.71Å; F149-L198 HydrophobicContact CZ-CD2 3.55Å
150H98.4Very high97.9Very high0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-58.1-43.4170.8-76.482.2000111.5W146 N147 C153 R154 S174 R180 P182W146-H150 HydrophobicContact CB-CB 4Å; W146-H150 HydrophobicContact CD2-CB 3.86Å; W146-H150 HydrophobicContact CE3-CB 3.76Å; W146-H150 HydrophobicContact CG-CB 3.96Å; W146-H150 HydrophobicContact CZ3-CB 4.49Å; N147-H150 PolarHBondContact O-N 3.06Å; N147-H150 PolarHBondContact OD1-N 2.94Å; N147-H150 PolarHBondContact OD1-ND1 3.32Å; H150-C153 PolarHBondContact O-N 3.45Å; H150-R154 PolarHBondContact O-N 2.92Å; H150-S174 PolarHBondContact CE1-O 3.34Å; H150-S174 PolarHBondContact CE1-OG 2.93Å; H150-S174 PolarHBondContact ND1-OG 3.43Å; H150-R180 PolarHBondContact NE2-O 3.47Å; H150-P182 WeakPolarHBondContact NE2-CD 3.46Å
151I98.3Very high97.9Very high0 Ų034.3 Ų34.30%016%0.164CC..Hα-helixtrans-63.5-44.5178.6-56.7-68.4000111W113 C120 T121 W146 N147 S148 F149 C153 R154 V155W113-I151 HydrophobicContact CH2-CD1 3.39Å; W113-I151 HydrophobicContact CH2-CG1 4.31Å; W113-I151 HydrophobicContact CZ2-CD1 4.05Å; W113-I151 HydrophobicContact CZ3-CD1 3.92Å; W113-I151 HydrophobicContact CZ3-CG1 4.36Å; C120-I151 HydrophobicContact CB-CB 4.1Å; C120-I151 HydrophobicContact CB-CG2 3.73Å; T121-I151 HydrophobicContact CG2-CG2 3.72Å; W146-I151 HydrophobicContact CE3-CD1 3.52Å; W146-I151 HydrophobicContact CE3-CG1 4.33Å; W146-I151 HydrophobicContact CZ3-CD1 3.99Å; N147-I151 PolarHBondContact O-N 3.05Å; S148-I151 WeakPolarHBondContact O-CB 3.35Å; S148-I151 PolarHBondContact O-N 3.1Å; F149-I151 VanDerWaalsContact C-N 3.29Å; F149-I151 PolarHBondContact O-N 3.06Å; I151-C153 VanDerWaalsContact C-N 3.34Å; I151-C153 PolarHBondContact O-N 3.28Å; I151-R154 WeakPolarHBondContact O-CB 3.39Å; I151-R154 PolarHBondContact O-N 3.14Å; I151-V155 WeakPolarHBondContact O-CB 3.33Å; I151-V155 VanDerWaalsContact O-CG2 3.27Å; I151-V155 WeakPolarHBondContact O-CG2 3.46Å; I151-V155 PolarHBondContact O-N 2.63Å; I151-V155 VanDerWaalsContact O-N 3.11Å
152A98.2Very high97.9Very high1 Ų129.8 Ų29.81%0.00815%0.149CC..Hα-helixtrans-61.2-42.3176.100000111.9S148 F149 V155 G156 V160 V161 L164S148-A152 PolarHBondContact O-N 3.17Å; F149-A152 PolarHBondContact O-N 2.84Å; A152-V155 PolarHBondContact O-N 3.42Å; A152-G156 PolarHBondContact O-N 2.92Å; A152-V160 HydrophobicContact CB-CB 4.45Å; A152-V160 HydrophobicContact CB-CG1 3.7Å; A152-V161 HydrophobicContact CB-CG2 4.02Å; A152-L164 HydrophobicContact CB-CD1 3.68Å
153C98.4Very high97.9Very high0 Ų030.9 Ų30.90%015%0.154CC..Hα-helixtrans-65.9-37.4177.9-68.20000112.8F149 H150 I151 V155 P182 A186 V194F149-C153 WeakPolarHBondContact O-CB 3.4Å; F149-C153 PolarHBondContact O-N 3.12Å; F149-C153 PolarHBondContact O-SG 3.27Å; H150-C153 PolarHBondContact O-N 3.45Å; I151-C153 VanDerWaalsContact C-N 3.34Å; I151-C153 PolarHBondContact O-N 3.28Å; C153-V155 VanDerWaalsContact C-N 3.31Å; C153-V155 PolarHBondContact O-N 3.04Å; C153-P182 HydrophobicContact CB-CB 4.26Å; C153-A186 HydrophobicContact CB-CB 4.25Å; C153-V194 HydrophobicContact CB-CG1 4.33Å
154R98.2Very high98Very high73 Ų7324.4 Ų24.428%0.27513%0.127SC..Hα-helixtrans-60.8-41.6172172.8171.574.2-166.85.4112.5W146 H150 I151 T185 H189W146-R154 HydrophobicContact CZ3-CB 4.29Å; H150-R154 PolarHBondContact O-N 2.92Å; I151-R154 WeakPolarHBondContact O-CB 3.39Å; I151-R154 PolarHBondContact O-N 3.14Å; R154-T185 HydrophobicContact CB-CG2 3.58Å; R154-H189 WeakPolarHBondContact CG-NE2 3.3Å; R154-H189 WeakPolarHBondContact O-CB 3.49Å
155V97.6Very high98Very high30 Ų3021.2 Ų21.218%0.18211%0.109CC..Hα-helixtrans-81.6-22.7-172.9167.60000111.4K123 I151 A152 C153K123-V155 HydrophobicContact CD-CG1 3.87Å; K123-V155 WeakPolarHBondContact CE-O 3.27Å; K123-V155 HydrophobicContact CG-CG1 3.31Å; K123-V155 PolarHBondContact NZ-O 3.46Å; I151-V155 WeakPolarHBondContact O-CB 3.33Å; I151-V155 VanDerWaalsContact O-CG2 3.27Å; I151-V155 WeakPolarHBondContact O-CG2 3.46Å; I151-V155 PolarHBondContact O-N 2.63Å; I151-V155 VanDerWaalsContact O-N 3.11Å; A152-V155 PolarHBondContact O-N 3.42Å; C153-V155 VanDerWaalsContact C-N 3.31Å; C153-V155 PolarHBondContact O-N 3.04Å
156G97.4Very high98Very high17 Ų1729 Ų2918%0.17514%0.135CC..THydrogen-bonded Turntrans75.636.5167.200000114.2A152 P158 C191A152-G156 PolarHBondContact O-N 2.92Å; G156-P158 WeakPolarHBondContact O-CD 3.33Å; G156-C191 WeakPolarHBondContact CA-SG 3.41Å
157D97.4Very high98Very high25 Ų2529.8 Ų29.813%0.13415%0.149CC..  trans-102.3107.3173-168.6-43.8000110.5K123 Q159 V160 V161K123-D157 HydrophobicContact CB-CB 4.35Å; K123-D157 HydrophobicContact CD-CB 3.93Å; K123-D157 HydrophobicContact CG-CB 3.98Å; D157-Q159 PolarHBondContact O-N 3.44Å; D157-Q159 WeakPolarHBondContact OD1-CB 3.02Å; D157-Q159 PolarHBondContact OD1-N 2.91Å; D157-V160 HydrophobicContact CB-CB 4.09Å; D157-V160 HydrophobicContact CB-CG2 3.83Å; D157-V160 PolarHBondContact O-N 3.32Å; D157-V160 VanDerWaalsContact O-N 3.16Å; D157-V160 PolarHBondContact OD1-N 3.44Å; D157-V161 WeakPolarHBondContact O-CG2 3.46Å; D157-V161 PolarHBondContact O-N 3.18Å
158P97.7Very high98Very high28 Ų2830.4 Ų30.418%0.18215%0.154CC..Hα-helixtrans-59.2-31.2-179-2433.6000113.6G156 V161 E162 E193 V194 M197G156-P158 WeakPolarHBondContact O-CD 3.33Å; P158-V161 PolarHBondContact O-N 3.37Å; P158-E162 VanDerWaalsContact O-CB 3.22Å; P158-E162 WeakPolarHBondContact O-CB 3.32Å; P158-E162 PolarHBondContact O-N 3.07Å; P158-E193 HydrophobicContact CG-CB 3.76Å; P158-E193 VanDerWaalsContact CG-OE2 3.29Å; P158-E193 WeakPolarHBondContact CG-OE2 3.49Å; P158-V194 HydrophobicContact CG-CG2 4.2Å; P158-M197 HydrophobicContact CB-CE 3.71Å
159Q98.1Very high97.9Very high126 Ų12634.6 Ų34.659%0.58918%0.181SC*.Hα-helixtrans-71.7-36.9-179.9-61.2-176.348.500111.2L125 D157 L163L125-Q159 HydrophobicContact CD1-CB 3.73Å; L125-Q159 HydrophobicContact CD1-CG 4.47Å; L125-Q159 VanDerWaalsContact CD1-OE1 3.29Å; L125-Q159 HydrophobicContact CD2-CB 4Å; L125-Q159 HydrophobicContact CG-CB 4.44Å; D157-Q159 PolarHBondContact O-N 3.44Å; D157-Q159 WeakPolarHBondContact OD1-CB 3.02Å; D157-Q159 PolarHBondContact OD1-N 2.91Å; Q159-L163 VanDerWaalsContact O-CB 3.27Å; Q159-L163 WeakPolarHBondContact O-CB 3.31Å; Q159-L163 PolarHBondContact O-N 2.88Å
160V98.3Very high97.8Very high1 Ų139.4 Ų39.41%0.00621%0.207CC..Hα-helixtrans-68.5-43.7175.1178.30000110.2L125 I128 A152 D157 L163 L164L125-V160 HydrophobicContact CD2-CB 4.3Å; L125-V160 HydrophobicContact CD2-CG2 3.6Å; L125-V160 HydrophobicContact CG-CG2 4.05Å; I128-V160 HydrophobicContact CD1-CB 4.35Å; I128-V160 HydrophobicContact CD1-CG1 3.56Å; I128-V160 HydrophobicContact CD1-CG2 3.83Å; A152-V160 HydrophobicContact CB-CB 4.45Å; A152-V160 HydrophobicContact CB-CG1 3.7Å; D157-V160 HydrophobicContact CB-CB 4.09Å; D157-V160 HydrophobicContact CB-CG2 3.83Å; D157-V160 PolarHBondContact O-N 3.32Å; D157-V160 VanDerWaalsContact O-N 3.16Å; D157-V160 PolarHBondContact OD1-N 3.44Å; V160-L163 PolarHBondContact O-N 3.31Å; V160-L164 HydrophobicContact CG1-CD1 4.18Å; V160-L164 WeakPolarHBondContact O-CG 3.42Å; V160-L164 PolarHBondContact O-N 3.39Å
161V98.4Very high97.7Very high0 Ų039.7 Ų39.70%021%0.209CC..Hα-helixtrans-59.3-48.6176.5173.70000110.5F149 A152 D157 P158 L163 L164 L165 V194 M197 L198F149-V161 HydrophobicContact CE2-CB 4.38Å; F149-V161 HydrophobicContact CE2-CG1 3.59Å; F149-V161 HydrophobicContact CZ-CG1 3.75Å; A152-V161 HydrophobicContact CB-CG2 4.02Å; D157-V161 WeakPolarHBondContact O-CG2 3.46Å; D157-V161 PolarHBondContact O-N 3.18Å; P158-V161 PolarHBondContact O-N 3.37Å; V161-L163 PolarHBondContact O-N 3.5Å; V161-L164 PolarHBondContact O-N 3.38Å; V161-L165 HydrophobicContact CG1-CD1 4.27Å; V161-L165 WeakPolarHBondContact O-CG 3.34Å; V161-L165 PolarHBondContact O-N 3.01Å; V161-V194 HydrophobicContact CG1-CG1 4.44Å; V161-V194 HydrophobicContact CG2-CG1 3.99Å; V161-V194 HydrophobicContact CG2-CG2 4.03Å; V161-M197 HydrophobicContact CB-SD 4.09Å; V161-M197 HydrophobicContact CG1-SD 3.54Å; V161-M197 VanDerWaalsContact CG1-SD 3.54Å; V161-L198 HydrophobicContact CG1-CD2 4.49Å
162E97.9Very high97.7Very high36 Ų3641.3 Ų41.317%0.16822%0.215CC..Hα-helixtrans-60.6-43.2176.6176.465.8-172.100112.2P158 L164 L165 R166 M197 R201P158-E162 VanDerWaalsContact O-CB 3.22Å; P158-E162 WeakPolarHBondContact O-CB 3.32Å; P158-E162 PolarHBondContact O-N 3.07Å; E162-L164 VanDerWaalsContact C-N 3.34Å; E162-L164 PolarHBondContact O-N 3.03Å; E162-L165 PolarHBondContact O-N 2.93Å; E162-R166 WeakPolarHBondContact O-CG 3.45Å; E162-R166 PolarHBondContact O-N 3.34Å; E162-R166 IonicContact OE1-CZ 3.7Å; E162-R166 VanDerWaalsContact OE1-CZ 3.26Å; E162-R166 IonicContact OE1-NE 3.75Å; E162-R166 PolarHBondContact OE1-NE 3.4Å; E162-R166 IonicContact OE1-NH2 2.82Å; E162-R166 PolarHBondContact OE1-NH2 2.8Å; E162-M197 HydrophobicContact CB-CE 4.41Å; E162-R201 IonicContact OE1-NH1 3.36Å; E162-R201 IonicContact OE2-CZ 2.73Å; E162-R201 IonicContact OE2-NH1 3.55Å; E162-R201 PolarHBondContact OE2-NH1 3.48Å
163L98.3Very high97.6Very high29 Ų2948.6 Ų48.615%0.15224%0.242CC..Hα-helixtrans-60.5-43.9177.2176.562.5000111.6L125 I128 R129 L132 Q159 V160 V161 R166 A167L125-L163 HydrophobicContact CD2-CD2 4.03Å; I128-L163 HydrophobicContact CB-CD2 4.13Å; I128-L163 HydrophobicContact CG2-CD2 3.56Å; I128-L163 HydrophobicContact CG2-CG 4.42Å; R129-L163 HydrophobicContact CG-CD1 3.93Å; R129-L163 HydrophobicContact CG-CD2 3.58Å; R129-L163 HydrophobicContact CG-CG 4.42Å; L132-L163 HydrophobicContact CD1-CD1 4.37Å; L132-L163 HydrophobicContact CD1-CD2 4.24Å; L132-L163 HydrophobicContact CD1-CG 3.97Å; Q159-L163 VanDerWaalsContact O-CB 3.27Å; Q159-L163 WeakPolarHBondContact O-CB 3.31Å; Q159-L163 PolarHBondContact O-N 2.88Å; V160-L163 PolarHBondContact O-N 3.31Å; V161-L163 PolarHBondContact O-N 3.5Å; L163-R166 PolarHBondContact O-N 3.06Å; L163-A167 PolarHBondContact O-N 3.16Å
164L98.2Very high97.5Very high0 Ų048.9 Ų48.90%024%0.244CC..Hα-helixtrans-68.3-37.7178.3-70.1174.5000112.2I128 L132 P138 F149 A152 V160 V161 E162 R166 A167 A168I128-L164 HydrophobicContact CG2-CD2 4.48Å; L132-L164 HydrophobicContact CD1-CD2 4.31Å; P138-L164 HydrophobicContact CB-CD2 4.02Å; F149-L164 HydrophobicContact CB-CD1 4.43Å; F149-L164 HydrophobicContact CD2-CB 3.83Å; F149-L164 HydrophobicContact CD2-CD1 4.17Å; F149-L164 HydrophobicContact CE2-CB 4.44Å; A152-L164 HydrophobicContact CB-CD1 3.68Å; V160-L164 HydrophobicContact CG1-CD1 4.18Å; V160-L164 WeakPolarHBondContact O-CG 3.42Å; V160-L164 PolarHBondContact O-N 3.39Å; V161-L164 PolarHBondContact O-N 3.38Å; E162-L164 VanDerWaalsContact C-N 3.34Å; E162-L164 PolarHBondContact O-N 3.03Å; L164-R166 VanDerWaalsContact C-N 3.31Å; L164-R166 PolarHBondContact O-N 3.38Å; L164-A167 PolarHBondContact O-N 3.04Å; L164-A168 PolarHBondContact O-N 3.36Å
165L97.6Very high97.4Very high21 Ų2150.3 Ų50.311%0.1125%0.254CS..Hα-helixtrans-63.3-36.7173.3-72.6172.1000112.1F149 V161 E162 A168 P169 V171 W172 M197F149-L165 HydrophobicContact CE2-CD1 4.37Å; F149-L165 HydrophobicContact CE2-CD2 3.76Å; F149-L165 HydrophobicContact CE2-CG 3.69Å; F149-L165 HydrophobicContact CZ-CD1 4.39Å; F149-L165 HydrophobicContact CZ-CD2 3.77Å; F149-L165 HydrophobicContact CZ-CG 4.01Å; V161-L165 HydrophobicContact CG1-CD1 4.27Å; V161-L165 WeakPolarHBondContact O-CG 3.34Å; V161-L165 PolarHBondContact O-N 3.01Å; E162-L165 PolarHBondContact O-N 2.93Å; L165-A168 CarbonylContact O-C 3.58Å; L165-P169 WeakPolarHBondContact O-CA 3.4Å; L165-V171 HydrophobicContact CD2-CG1 4.41Å; L165-W172 HydrophobicContact CD2-CB 4.26Å; L165-W172 HydrophobicContact CD2-CG 4.35Å; L165-M197 HydrophobicContact CD1-SD 4.43Å
166R97.4Very high97.3Very high183 Ų18349.4 Ų49.469%0.69125%0.249SC*.Hα-helixtrans-68.1-39.9175-71.2176-172.2-175.33.7112.4E162 L163 L164E162-R166 WeakPolarHBondContact O-CG 3.45Å; E162-R166 PolarHBondContact O-N 3.34Å; E162-R166 IonicContact OE1-CZ 3.7Å; E162-R166 VanDerWaalsContact OE1-CZ 3.26Å; E162-R166 IonicContact OE1-NE 3.75Å; E162-R166 PolarHBondContact OE1-NE 3.4Å; E162-R166 IonicContact OE1-NH2 2.82Å; E162-R166 PolarHBondContact OE1-NH2 2.8Å; L163-R166 PolarHBondContact O-N 3.06Å; L164-R166 VanDerWaalsContact C-N 3.31Å; L164-R166 PolarHBondContact O-N 3.38Å
167A97.8Very high97.3Very high53 Ų5353.3 Ų53.344%0.43827%0.27SS..Hα-helixtrans-73.5-36.7179.800000112.4L132 L163 L164L132-A167 HydrophobicContact CD1-CB 3.92Å; L132-A167 HydrophobicContact CD2-CB 4.02Å; L132-A167 HydrophobicContact CG-CB 4.48Å; L163-A167 PolarHBondContact O-N 3.16Å; L164-A167 PolarHBondContact O-N 3.04Å
168A97.3Very high97.2Very high15 Ų1555 Ų5512%0.12428%0.281CS..  trans-142.491.4179.100000110.9P138 T139 L164 L165 D170 V171P138-A168 HydrophobicContact CB-CB 4.48Å; P138-A168 HydrophobicContact CG-CB 3.4Å; P138-A168 VanDerWaalsContact CG-CB 3.4Å; T139-A168 HydrophobicContact CG2-CB 4.5Å; L164-A168 PolarHBondContact O-N 3.36Å; L165-A168 CarbonylContact O-C 3.58Å; A168-D170 PolarHBondContact O-N 2.82Å; A168-D170 VanDerWaalsContact O-N 3.11Å; A168-V171 HydrophobicContact CB-CB 3.85Å; A168-V171 HydrophobicContact CB-CG1 4.39Å; A168-V171 HydrophobicContact CB-CG2 4.48Å; A168-V171 VanDerWaalsContact O-CB 3.28Å; A168-V171 WeakPolarHBondContact O-CB 3.5Å; A168-V171 WeakPolarHBondContact O-CG1 3.45Å; A168-V171 PolarHBondContact O-N 3.45Å
169P96.3Very high97.1Very high88 Ų8854.2 Ų54.257%0.57128%0.277SS*.THydrogen-bonded Turntrans-58.9-25.9-173.1-29.336.8000116.2L165 W172L165-P169 WeakPolarHBondContact O-CA 3.4Å; P169-W172 PolarHBondContact O-NE1 3.24Å
170D96.7Very high97.1Very high101 Ų10149.6 Ų49.654%0.5426%0.255SS..THydrogen-bonded Turntrans-1004-179.8-71-54.9000113.6A168 W172 R173A168-D170 PolarHBondContact O-N 2.82Å; A168-D170 VanDerWaalsContact O-N 3.11Å; D170-W172 PolarHBondContact O-N 2.85Å; D170-R173 WeakPolarHBondContact O-CB 3.46Å; D170-R173 PolarHBondContact O-N 2.97Å; D170-R173 IonicContact OD1-CZ 3.32Å; D170-R173 IonicContact OD1-NE 3.53Å; D170-R173 PolarHBondContact OD1-NE 3.37Å; D170-R173 IonicContact OD1-NH2 2.67Å
171V97.3Very high97Very high6 Ų650 Ų504%0.03626%0.257CS..G310 helixtrans-60.6-23.4-175.473.80000113.5P138 N147 F149 L165 A168 R173 S174P138-V171 HydrophobicContact CB-CG2 4.3Å; P138-V171 WeakPolarHBondContact O-CG2 3.44Å; N147-V171 VanDerWaalsContact ND2-CG2 3.28Å; N147-V171 WeakPolarHBondContact ND2-CG2 3.03Å; N147-V171 PolarHBondContact ND2-O 2.9Å; F149-V171 HydrophobicContact CB-CB 4.39Å; F149-V171 HydrophobicContact CB-CG1 3.84Å; F149-V171 HydrophobicContact CB-CG2 3.72Å; F149-V171 HydrophobicContact CD1-CG1 4.32Å; F149-V171 HydrophobicContact CD2-CG1 3.56Å; F149-V171 HydrophobicContact CE2-CG1 4.16Å; F149-V171 HydrophobicContact CG-CG1 3.65Å; F149-V171 HydrophobicContact CG-CG2 4.42Å; L165-V171 HydrophobicContact CD2-CG1 4.41Å; A168-V171 HydrophobicContact CB-CB 3.85Å; A168-V171 HydrophobicContact CB-CG1 4.39Å; A168-V171 HydrophobicContact CB-CG2 4.48Å; A168-V171 VanDerWaalsContact O-CB 3.28Å; A168-V171 WeakPolarHBondContact O-CB 3.5Å; A168-V171 WeakPolarHBondContact O-CG1 3.45Å; A168-V171 PolarHBondContact O-N 3.45Å; V171-R173 VanDerWaalsContact C-N 3.3Å; V171-R173 PolarHBondContact O-N 2.74Å; V171-S174 PolarHBondContact O-OG 3.18Å
172W97.1Very high97Very high35 Ų3550 Ų5013%0.13326%0.257CS..G310 helixtrans-71.2-22.7178.163.2-94.5000112.6F149 L165 P169 D170 S174 C202 Y204F149-W172 HydrophobicContact CD1-CB 4.06Å; F149-W172 HydrophobicContact CE1-CB 3.47Å; F149-W172 VanDerWaalsContact CE1-CB 3.47Å; F149-W172 HydrophobicContact CZ-CB 3.96Å; L165-W172 HydrophobicContact CD2-CB 4.26Å; L165-W172 HydrophobicContact CD2-CG 4.35Å; P169-W172 PolarHBondContact O-NE1 3.24Å; D170-W172 PolarHBondContact O-N 2.85Å; W172-S174 PolarHBondContact O-N 3.22Å; W172-C202 HydrophobicContact CB-CB 4.27Å; W172-C202 HydrophobicContact CD2-CB 3.67Å; W172-C202 HydrophobicContact CE3-CB 3.93Å; W172-C202 HydrophobicContact CG-CB 3.82Å; W172-C202 WeakPolarHBondContact CH2-O 3.44Å; W172-C202 WeakPolarHBondContact CZ2-O 3.49Å; W172-C202 WeakPolarHBondContact CZ3-O 3.37Å; W172-Y204 HydrophobicContact CE3-CE1 4.04Å; W172-Y204 HydrophobicContact CE3-CE2 4.02Å; W172-Y204 AromaticContact CE3-CZ 3.71Å; W172-Y204 HydrophobicContact CZ3-CE1 4.32Å; W172-Y204 PolarHBondContact O-OH 3.23Å
173R96.4Very high97Very high154 Ų15448.3 Ų48.358%0.58125%0.249SC*.G310 helixtrans-71.8-1.7-176.8-61179.6-176.6-84.20.7114.1D170 V171D170-R173 WeakPolarHBondContact O-CB 3.46Å; D170-R173 PolarHBondContact O-N 2.97Å; D170-R173 IonicContact OD1-CZ 3.32Å; D170-R173 IonicContact OD1-NE 3.53Å; D170-R173 PolarHBondContact OD1-NE 3.37Å; D170-R173 IonicContact OD1-NH2 2.67Å; V171-R173 VanDerWaalsContact C-N 3.3Å; V171-R173 PolarHBondContact O-N 2.74Å
174S95.4Very high97Very high5 Ų547 Ų474%0.03524%0.242CC..  trans-77.5155-17957.90000111.9N147 H150 V171 W172 P182N147-S174 PolarHBondContact ND2-OG 3.43Å; H150-S174 PolarHBondContact CE1-O 3.34Å; H150-S174 PolarHBondContact CE1-OG 2.93Å; H150-S174 PolarHBondContact ND1-OG 3.43Å; V171-S174 PolarHBondContact O-OG 3.18Å; W172-S174 PolarHBondContact O-N 3.22Å; S174-P182 VanDerWaalsContact O-CD 3.29Å; S174-P182 WeakPolarHBondContact O-CD 3.32Å
175E96.8Very high97Very high103 Ų10347 Ų4748%0.48124%0.242SC..  trans-131.6149.5178.8-65.1175.1-177.800109.4R141 R180 T181R141-E175 PolarHBondContact NH1-O 2.97Å; E175-R180 WeakPolarHBondContact CA-O 3.32Å; E175-T181 HydrophobicContact CG-CG2 4.19Å
176S96.1Very high97.1Very high12 Ų1246 Ų468%0.08424%0.237CC..  trans-67.9174.6170.779.90000112D144 T178 G179 R180D144-S176 WeakPolarHBondContact O-CA 3.38Å; S176-T178 PolarHBondContact O-N 3.47Å; S176-T178 VanDerWaalsContact O-N 3.08Å; S176-T178 PolarHBondContact OG-N 2.94Å; S176-T178 VanDerWaalsContact OG-N 3.14Å; S176-T178 PolarHBondContact OG-OG1 3.14Å; S176-T178 VanDerWaalsContact OG-OG1 3.06Å; S176-G179 PolarHBondContact O-N 3.29Å; S176-R180 PolarHBondContact N-O 3.48Å; S176-R180 WeakPolarHBondContact OG-CB 3.27Å; S176-R180 PolarHBondContact OG-N 3.06Å
177T96.2Very high97.1Very high99 Ų9937.2 Ų37.261%0.60720%0.204SC*.THydrogen-bonded Turntrans-59.1-19.2172.750.40000114.2D144 A145D144-T177 PolarHBondContact O-N 2.92Å; A145-T177 HydrophobicContact CB-CG2 3.91Å
178T95.3Very high97.2Very high61 Ų6137 Ų3737%0.37419%0.194SC..THydrogen-bonded Turntrans-106.418.7177.663.70000112.3S176 R180 D210 S211S176-T178 PolarHBondContact O-N 3.47Å; S176-T178 VanDerWaalsContact O-N 3.08Å; S176-T178 PolarHBondContact OG-N 2.94Å; S176-T178 VanDerWaalsContact OG-N 3.14Å; S176-T178 PolarHBondContact OG-OG1 3.14Å; S176-T178 VanDerWaalsContact OG-OG1 3.06Å; T178-R180 VanDerWaalsContact C-N 3.25Å; T178-R180 PolarHBondContact O-N 2.8Å; T178-R180 WeakPolarHBondContact OG1-CG 3.48Å; T178-D210 WeakPolarHBondContact O-CB 3.39Å; T178-S211 WeakPolarHBondContact O-CB 3.5Å; T178-S211 PolarHBondContact O-N 2.81Å; T178-S211 PolarHBondContact O-OG 3.2Å; T178-S211 VanDerWaalsContact O-OG 3.1Å
179G96.6Very high97.2Very high10 Ų1040.2 Ų40.210%0.10321%0.207CC..  trans71.615.4179.500000114.1S176S176-G179 PolarHBondContact O-N 3.29Å
180R97.3Very high97.3Very high30 Ų3037.2 Ų37.211%0.11319%0.192CC..  trans-81.9127.4-179.3-63.7-172.182.7-140.8-1.8110.1H150 E175 S176 T178 H184 M188 D210 D219H150-R180 PolarHBondContact NE2-O 3.47Å; E175-R180 WeakPolarHBondContact CA-O 3.32Å; S176-R180 PolarHBondContact N-O 3.48Å; S176-R180 WeakPolarHBondContact OG-CB 3.27Å; S176-R180 PolarHBondContact OG-N 3.06Å; T178-R180 VanDerWaalsContact C-N 3.25Å; T178-R180 PolarHBondContact O-N 2.8Å; T178-R180 WeakPolarHBondContact OG1-CG 3.48Å; R180-H184 HydrophobicContact CB-CB 4.23Å; R180-H184 PolarHBondContact NH2-O 3.34Å; R180-M188 VanDerWaalsContact CZ-CE 3.44Å; R180-M188 PolarHBondContact NH1-SD 2.93Å; R180-D210 HydrophobicContact CG-CB 3.61Å; R180-D210 VanDerWaalsContact CG-OD2 3.31Å; R180-D210 WeakPolarHBondContact CG-OD2 3.21Å; R180-D210 IonicContact NE-OD2 3.45Å; R180-D219 IonicContact CZ-OD1 3.94Å; R180-D219 IonicContact CZ-OD2 3.13Å; R180-D219 IonicContact NE-OD2 2.69Å; R180-D219 IonicContact NH2-OD1 3.96Å; R180-D219 PolarHBondContact NH2-OD1 2.97Å; R180-D219 IonicContact NH2-OD2 2.85Å; R180-D219 PolarHBondContact NH2-OD2 3.35Å
181T97.5Very high97.4Very high10 Ų1033.3 Ų33.36%0.06117%0.172CC..  trans-85.1165.9176.369.70000111.7E175 L183 H184 T185 Y204E175-T181 HydrophobicContact CG-CG2 4.19Å; T181-L183 PolarHBondContact O-N 2.95Å; T181-L183 PolarHBondContact OG1-N 2.84Å; T181-H184 PolarHBondContact N-ND1 3.18Å; T181-H184 WeakPolarHBondContact O-CB 3.48Å; T181-H184 PolarHBondContact O-N 3.46Å; T181-H184 VanDerWaalsContact O-N 3.15Å; T181-H184 PolarHBondContact OG1-N 3.33Å; T181-H184 PolarHBondContact OG1-ND1 3.44Å; T181-T185 PolarHBondContact O-N 3.23Å; T181-T185 PolarHBondContact O-OG1 2.91Å; T181-Y204 HydrophobicContact CG2-CE1 3.94Å
182P97.9Very high97.4Very high0 Ų037.2 Ų37.20%019%0.19CC..Hα-helixtrans-52.5-32.4167.1-29.832.8000114.5F149 H150 C153 S174 T185 A186 L198 Y204F149-P182 HydrophobicContact CD1-CB 3.75Å; F149-P182 HydrophobicContact CD1-CG 3.59Å; F149-P182 HydrophobicContact CE1-CB 3.69Å; F149-P182 HydrophobicContact CE1-CG 3.9Å; H150-P182 WeakPolarHBondContact NE2-CD 3.46Å; C153-P182 HydrophobicContact CB-CB 4.26Å; S174-P182 VanDerWaalsContact O-CD 3.29Å; S174-P182 WeakPolarHBondContact O-CD 3.32Å; P182-T185 WeakPolarHBondContact O-CB 3.48Å; P182-T185 PolarHBondContact O-N 3.39Å; P182-A186 PolarHBondContact O-N 3.44Å; P182-L198 HydrophobicContact CB-CD1 4.36Å; P182-Y204 WeakPolarHBondContact CD-OH 3.46Å; P182-Y204 WeakPolarHBondContact CG-OH 3.28Å
183L98.3Very high97.5Very high0 Ų042.2 Ų42.20%022%0.215CC..Hα-helixtrans-65-44.4175.9179.363000112.1T181 T185 A186 A187 V195 L198 L199 Y204 P216T181-L183 PolarHBondContact O-N 2.95Å; T181-L183 PolarHBondContact OG1-N 2.84Å; L183-T185 PolarHBondContact O-N 3.21Å; L183-A186 PolarHBondContact O-N 3.46Å; L183-A187 WeakPolarHBondContact O-CB 3.31Å; L183-A187 PolarHBondContact O-N 3.49Å; L183-V195 HydrophobicContact CD1-CB 4.46Å; L183-V195 HydrophobicContact CD1-CG1 3.91Å; L183-V195 HydrophobicContact CD1-CG2 4.4Å; L183-L198 HydrophobicContact CB-CD1 4.32Å; L183-L198 HydrophobicContact CD1-CB 4.31Å; L183-L198 HydrophobicContact CD1-CD1 4.4Å; L183-L199 HydrophobicContact CD1-CD1 4.38Å; L183-L199 HydrophobicContact CD1-CD2 4.3Å; L183-L199 HydrophobicContact CD1-CG 4.06Å; L183-L199 HydrophobicContact CD2-CD2 3.72Å; L183-L199 HydrophobicContact CD2-CG 4.38Å; L183-Y204 HydrophobicContact CB-CD1 4.37Å; L183-Y204 HydrophobicContact CB-CD2 4.07Å; L183-Y204 HydrophobicContact CB-CE1 4.49Å; L183-Y204 HydrophobicContact CB-CE2 4.19Å; L183-Y204 HydrophobicContact CB-CG 4.14Å; L183-Y204 HydrophobicContact CD2-CD2 4.41Å; L183-Y204 HydrophobicContact CD2-CG 4.01Å; L183-P216 HydrophobicContact CB-CG 4.49Å; L183-P216 HydrophobicContact CD2-CB 4.31Å; L183-P216 HydrophobicContact CD2-CG 3.74Å; L183-P216 HydrophobicContact CG-CB 3.99Å; L183-P216 HydrophobicContact CG-CG 3.71Å
184H98.4Very high97.6Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-57.1-42.6172.4-68.887.3000111.2R180 T181 A187 M188 S208 D210 I214 D219R180-H184 HydrophobicContact CB-CB 4.23Å; R180-H184 PolarHBondContact NH2-O 3.34Å; T181-H184 PolarHBondContact N-ND1 3.18Å; T181-H184 WeakPolarHBondContact O-CB 3.48Å; T181-H184 PolarHBondContact O-N 3.46Å; T181-H184 VanDerWaalsContact O-N 3.15Å; T181-H184 PolarHBondContact OG1-N 3.33Å; T181-H184 PolarHBondContact OG1-ND1 3.44Å; H184-A187 PolarHBondContact O-N 2.79Å; H184-M188 VanDerWaalsContact O-CB 3.23Å; H184-M188 WeakPolarHBondContact O-CB 3.46Å; H184-M188 PolarHBondContact O-N 3.3Å; H184-S208 PolarHBondContact CE1-O 2.94Å; H184-S208 PolarHBondContact NE2-O 2.83Å; H184-D210 PolarHBondContact NE2-N 3.03Å; H184-I214 PolarHBondContact NE2-O 3.39Å; H184-D219 IonicContact CD2-OD2 2.71Å; H184-D219 PolarHBondContact CD2-OD2 3.38Å; H184-D219 IonicContact CG-OD2 2.84Å
185T98Very high97.7Very high0 Ų034.7 Ų34.70%019%0.186CC..Hα-helixtrans-65.3-48.9-178.7-53.10000111.1W146 R154 T181 P182 L183 A187 M188 H189W146-T185 HydrophobicContact CH2-CG2 3.79Å; W146-T185 HydrophobicContact CZ2-CG2 4.4Å; W146-T185 HydrophobicContact CZ3-CG2 4.19Å; R154-T185 HydrophobicContact CB-CG2 3.58Å; T181-T185 PolarHBondContact O-N 3.23Å; T181-T185 PolarHBondContact O-OG1 2.91Å; P182-T185 WeakPolarHBondContact O-CB 3.48Å; P182-T185 PolarHBondContact O-N 3.39Å; L183-T185 PolarHBondContact O-N 3.21Å; T185-A187 VanDerWaalsContact C-N 3.32Å; T185-A187 PolarHBondContact O-N 3.31Å; T185-M188 PolarHBondContact O-N 3.25Å; T185-H189 PolarHBondContact O-CD2 3.44Å; T185-H189 VanDerWaalsContact O-CD2 3.22Å; T185-H189 PolarHBondContact O-N 3.31Å
186A98.4Very high97.7Very high0 Ų030.7 Ų30.70%017%0.169CC..Hα-helixtrans-61.6-40.6177.300000112C153 P182 L183 H189 G190 C191 V194 V195 L198C153-A186 HydrophobicContact CB-CB 4.25Å; P182-A186 PolarHBondContact O-N 3.44Å; L183-A186 PolarHBondContact O-N 3.46Å; A186-H189 CarbonylContact O-C 3.38Å; A186-H189 PolarHBondContact O-N 3.01Å; A186-G190 PolarHBondContact O-N 3.12Å; A186-G190 VanDerWaalsContact O-N 3.13Å; A186-C191 HydrophobicContact CB-CB 4.24Å; A186-C191 PolarHBondContact O-N 3.29Å; A186-V194 HydrophobicContact CB-CB 4.37Å; A186-V194 HydrophobicContact CB-CG1 3.87Å; A186-V195 HydrophobicContact CB-CG2 3.71Å; A186-L198 HydrophobicContact CB-CD1 4.07Å
187A98.6Very high97.7Very high0 Ų031.3 Ų31.30%017%0.171CC..Hα-helixtrans-68.9-43.718000000113L183 H184 T185 H189 G190 V195 P216 D219 V228L183-A187 WeakPolarHBondContact O-CB 3.31Å; L183-A187 PolarHBondContact O-N 3.49Å; H184-A187 PolarHBondContact O-N 2.79Å; T185-A187 VanDerWaalsContact C-N 3.32Å; T185-A187 PolarHBondContact O-N 3.31Å; A187-H189 PolarHBondContact O-N 3.44Å; A187-G190 PolarHBondContact O-N 3.48Å; A187-G190 VanDerWaalsContact O-N 3.13Å; A187-V195 HydrophobicContact CB-CG2 4.3Å; A187-P216 HydrophobicContact CB-CB 3.91Å; A187-P216 WeakPolarHBondContact CB-O 3.5Å; A187-D219 HydrophobicContact CB-CB 4.43Å; A187-V228 HydrophobicContact CB-CG1 3.94Å
188M98.4Very high97.8Very high48 Ų4826.6 Ų26.624%0.23614%0.142CC..Hα-helixtrans-57.5-30175172177.4-89.100113R180 H184 T185 D219 H225R180-M188 VanDerWaalsContact CZ-CE 3.44Å; R180-M188 PolarHBondContact NH1-SD 2.93Å; H184-M188 VanDerWaalsContact O-CB 3.23Å; H184-M188 WeakPolarHBondContact O-CB 3.46Å; H184-M188 PolarHBondContact O-N 3.3Å; T185-M188 PolarHBondContact O-N 3.25Å; M188-D219 HydrophobicContact CB-CB 4Å; M188-D219 WeakPolarHBondContact CE-OD1 3.41Å; M188-H225 PolarHBondContact O-CD2 3.39Å; M188-H225 VanDerWaalsContact O-CD2 3.31Å; M188-H225 PolarHBondContact O-NE2 3.14Å
189H98.4Very high97.8Very high82 Ų8224.5 Ų24.538%0.3813%0.128SC..THydrogen-bonded Turntrans-1049.4-178.6-71.2-76.3000113.6R154 T185 A186 A187 C191R154-H189 WeakPolarHBondContact CG-NE2 3.3Å; R154-H189 WeakPolarHBondContact O-CB 3.49Å; T185-H189 PolarHBondContact O-CD2 3.44Å; T185-H189 VanDerWaalsContact O-CD2 3.22Å; T185-H189 PolarHBondContact O-N 3.31Å; A186-H189 CarbonylContact O-C 3.38Å; A186-H189 PolarHBondContact O-N 3.01Å; A187-H189 PolarHBondContact O-N 3.44Å; H189-C191 VanDerWaalsContact C-N 3.28Å; H189-C191 PolarHBondContact O-N 3.12Å
190G98.3Very high97.7Very high25 Ų2530 Ų3026%0.25815%0.152SC..THydrogen-bonded Turntrans69.822.2172.600000114.6A186 A187 E192 H225A186-G190 PolarHBondContact O-N 3.12Å; A186-G190 VanDerWaalsContact O-N 3.13Å; A187-G190 PolarHBondContact O-N 3.48Å; A187-G190 VanDerWaalsContact O-N 3.13Å; G190-E192 VanDerWaalsContact C-N 3.28Å; G190-E192 PolarHBondContact O-N 2.89Å; G190-H225 VanDerWaalsContact CA-CD2 3.41Å; G190-H225 WeakPolarHBondContact CA-CD2 3.4Å; G190-H225 PolarHBondContact N-CD2 3.24Å; G190-H225 PolarHBondContact N-NE2 3.04Å
191C98.4Very high97.5Very high19 Ų1935.7 Ų35.713%0.12817%0.173CC..  trans-82.569.4-174.8-59.60000111G156 A186 H189 E193 V194 V195G156-C191 WeakPolarHBondContact CA-SG 3.41Å; A186-C191 HydrophobicContact CB-CB 4.24Å; A186-C191 PolarHBondContact O-N 3.29Å; H189-C191 VanDerWaalsContact C-N 3.28Å; H189-C191 PolarHBondContact O-N 3.12Å; C191-E193 PolarHBondContact O-N 3.34Å; C191-V194 HydrophobicContact CB-CB 4.08Å; C191-V194 HydrophobicContact CB-CG2 4.41Å; C191-V194 WeakPolarHBondContact O-CB 3.47Å; C191-V194 PolarHBondContact O-N 3.07Å; C191-V194 VanDerWaalsContact O-N 3.07Å; C191-V195 WeakPolarHBondContact O-CG2 3.39Å; C191-V195 PolarHBondContact O-N 3.23Å
192E98.2Very high97.3Very high89 Ų8935.3 Ų35.342%0.41617%0.171SC..Hα-helixtrans-51.1-50.1-171.8-172.7-173.4153.900114.3G190 V194 V195 S196 P227 V228 L231G190-E192 VanDerWaalsContact C-N 3.28Å; G190-E192 PolarHBondContact O-N 2.89Å; E192-V194 VanDerWaalsContact C-N 3.28Å; E192-V194 PolarHBondContact O-N 2.87Å; E192-V195 WeakPolarHBondContact O-CB 3.44Å; E192-V195 PolarHBondContact O-N 2.96Å; E192-V195 VanDerWaalsContact O-N 3.12Å; E192-S196 PolarHBondContact O-N 3.44Å; E192-P227 WeakPolarHBondContact OE2-CB 3.22Å; E192-V228 HydrophobicContact CB-CG2 4.03Å; E192-L231 HydrophobicContact CG-CD2 3.97Å
193E98.1Very high96.9Very high140 Ų14038.5 Ų38.565%0.65420%0.204SC*.Hα-helixtrans-61.4-38.3180-65.6171.6176.200112P158 C191 M197P158-E193 HydrophobicContact CG-CB 3.76Å; P158-E193 VanDerWaalsContact CG-OE2 3.29Å; P158-E193 WeakPolarHBondContact CG-OE2 3.49Å; C191-E193 PolarHBondContact O-N 3.34Å; E193-M197 WeakPolarHBondContact O-CB 3.31Å; E193-M197 PolarHBondContact O-N 3.05Å
194V98.4Very high96.7Very high1 Ų139.7 Ų39.71%0.00621%0.209CC..Hα-helixtrans-69.8-41.3175.4174.90000110.5C153 P158 V161 A186 C191 E192 S196 M197 L198C153-V194 HydrophobicContact CB-CG1 4.33Å; P158-V194 HydrophobicContact CG-CG2 4.2Å; V161-V194 HydrophobicContact CG1-CG1 4.44Å; V161-V194 HydrophobicContact CG2-CG1 3.99Å; V161-V194 HydrophobicContact CG2-CG2 4.03Å; A186-V194 HydrophobicContact CB-CB 4.37Å; A186-V194 HydrophobicContact CB-CG1 3.87Å; C191-V194 HydrophobicContact CB-CB 4.08Å; C191-V194 HydrophobicContact CB-CG2 4.41Å; C191-V194 WeakPolarHBondContact O-CB 3.47Å; C191-V194 PolarHBondContact O-N 3.07Å; C191-V194 VanDerWaalsContact O-N 3.07Å; E192-V194 VanDerWaalsContact C-N 3.28Å; E192-V194 PolarHBondContact O-N 2.87Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 3.39Å; V194-M197 PolarHBondContact O-N 3.06Å; V194-L198 HydrophobicContact CG1-CD1 3.93Å; V194-L198 HydrophobicContact CG1-CG 4.06Å; V194-L198 WeakPolarHBondContact O-CB 3.43Å; V194-L198 VanDerWaalsContact O-CG 3.23Å; V194-L198 WeakPolarHBondContact O-CG 3.27Å; V194-L198 PolarHBondContact O-N 3.44Å
195V98.4Very high96.4Very high0 Ų042.4 Ų42.40%023%0.231CC..Hα-helixtrans-58-46.6175.2171.30000110.9L183 A186 A187 C191 E192 M197 L198 L199 V228 L231 L232L183-V195 HydrophobicContact CD1-CB 4.46Å; L183-V195 HydrophobicContact CD1-CG1 3.91Å; L183-V195 HydrophobicContact CD1-CG2 4.4Å; A186-V195 HydrophobicContact CB-CG2 3.71Å; A187-V195 HydrophobicContact CB-CG2 4.3Å; C191-V195 WeakPolarHBondContact O-CG2 3.39Å; C191-V195 PolarHBondContact O-N 3.23Å; E192-V195 WeakPolarHBondContact O-CB 3.44Å; E192-V195 PolarHBondContact O-N 2.96Å; E192-V195 VanDerWaalsContact O-N 3.12Å; V195-M197 PolarHBondContact O-N 3.43Å; V195-L198 PolarHBondContact O-N 2.64Å; V195-L199 HydrophobicContact CG1-CD1 3.69Å; V195-L199 WeakPolarHBondContact O-CG 3.27Å; V195-L199 PolarHBondContact O-N 3.27Å; V195-V228 HydrophobicContact CB-CG1 4.46Å; V195-V228 HydrophobicContact CG1-CG1 4.23Å; V195-V228 HydrophobicContact CG2-CG1 3.95Å; V195-V228 HydrophobicContact CG2-CG2 4.48Å; V195-L231 HydrophobicContact CB-CD2 4.05Å; V195-L231 HydrophobicContact CG1-CD2 3.75Å; V195-L232 HydrophobicContact CG1-CD2 4.2Å; V195-L232 HydrophobicContact CG1-CG 4.38Å
196S97Very high96.1Very high19 Ų1943.8 Ų43.813%0.13324%0.24CC..Hα-helixtrans-58.8-48.7176.1-152.60000110.8E192 V194 L198 L199 E200E192-S196 PolarHBondContact O-N 3.44Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 3.39Å; S196-L198 PolarHBondContact O-N 3.36Å; S196-L199 PolarHBondContact O-N 3.34Å; S196-E200 WeakPolarHBondContact O-CB 3.42Å; S196-E200 VanDerWaalsContact O-CG 3.27Å; S196-E200 WeakPolarHBondContact O-CG 3.47Å; S196-E200 PolarHBondContact O-N 3.48Å; S196-E200 PolarHBondContact OG-OE1 3.22Å
197M96.6Very high95.9Very high24 Ų2446.6 Ų46.612%0.11826%0.255CS..Hα-helixtrans-58.2-45178.3-178.6-175.7-67.500112.3P158 V161 E162 L165 E193 V194 V195 R201P158-M197 HydrophobicContact CB-CE 3.71Å; V161-M197 HydrophobicContact CB-SD 4.09Å; V161-M197 HydrophobicContact CG1-SD 3.54Å; V161-M197 VanDerWaalsContact CG1-SD 3.54Å; E162-M197 HydrophobicContact CB-CE 4.41Å; L165-M197 HydrophobicContact CD1-SD 4.43Å; E193-M197 WeakPolarHBondContact O-CB 3.31Å; E193-M197 PolarHBondContact O-N 3.05Å; V194-M197 PolarHBondContact O-N 3.06Å; V195-M197 PolarHBondContact O-N 3.43Å; M197-R201 VanDerWaalsContact O-CB 3.28Å; M197-R201 WeakPolarHBondContact O-CB 3.23Å; M197-R201 WeakPolarHBondContact O-CG 3.47Å; M197-R201 PolarHBondContact O-N 2.91Å
198L96.9Very high95.6Very high0 Ų048.2 Ų48.20%027%0.266CS..Hα-helixtrans-65.8-41.6-179.4-68.3177.7000111.7F149 V161 P182 L183 A186 V194 V195 S196 C202 Y204F149-L198 HydrophobicContact CE1-CD2 3.71Å; F149-L198 HydrophobicContact CZ-CD2 3.55Å; V161-L198 HydrophobicContact CG1-CD2 4.49Å; P182-L198 HydrophobicContact CB-CD1 4.36Å; L183-L198 HydrophobicContact CB-CD1 4.32Å; L183-L198 HydrophobicContact CD1-CB 4.31Å; L183-L198 HydrophobicContact CD1-CD1 4.4Å; A186-L198 HydrophobicContact CB-CD1 4.07Å; V194-L198 HydrophobicContact CG1-CD1 3.93Å; V194-L198 HydrophobicContact CG1-CG 4.06Å; V194-L198 WeakPolarHBondContact O-CB 3.43Å; V194-L198 VanDerWaalsContact O-CG 3.23Å; V194-L198 WeakPolarHBondContact O-CG 3.27Å; V194-L198 PolarHBondContact O-N 3.44Å; V195-L198 PolarHBondContact O-N 2.64Å; S196-L198 PolarHBondContact O-N 3.36Å; L198-C202 HydrophobicContact CD2-CB 4.47Å; L198-C202 VanDerWaalsContact O-CA 3.3Å; L198-C202 WeakPolarHBondContact O-CA 3.29Å; L198-C202 WeakPolarHBondContact O-CB 3.44Å; L198-C202 PolarHBondContact O-N 3.49Å; L198-Y204 HydrophobicContact CB-CD2 4.03Å; L198-Y204 HydrophobicContact CB-CE2 4.08Å; L198-Y204 HydrophobicContact CD2-CE2 4.2Å; L198-Y204 HydrophobicContact CG-CE2 4.49Å
199L95.4Very high95.5Very high17 Ų1748.7 Ų48.79%0.08928%0.278CS..Hα-helixtrans-70.9-36.7179.6-69.7162.8000112.2L183 V195 S196 P206 L232 H236L183-L199 HydrophobicContact CD1-CD1 4.38Å; L183-L199 HydrophobicContact CD1-CD2 4.3Å; L183-L199 HydrophobicContact CD1-CG 4.06Å; L183-L199 HydrophobicContact CD2-CD2 3.72Å; L183-L199 HydrophobicContact CD2-CG 4.38Å; V195-L199 HydrophobicContact CG1-CD1 3.69Å; V195-L199 WeakPolarHBondContact O-CG 3.27Å; V195-L199 PolarHBondContact O-N 3.27Å; S196-L199 PolarHBondContact O-N 3.34Å; L199-P206 HydrophobicContact CD2-CB 4.26Å; L199-L232 HydrophobicContact CD1-CD2 3.66Å; L199-H236 WeakPolarHBondContact CB-CE1 3.47Å; L199-H236 HydrophobicContact CD1-CB 4.25Å; L199-H236 WeakPolarHBondContact CD1-CD2 3.42Å
200E94Very high95.5Very high126 Ų12645.7 Ų45.759%0.58926%0.264SS*.Hα-helixtrans-75.7-35.6179.5-71.2167.3-156.500113.2S196S196-E200 WeakPolarHBondContact O-CB 3.42Å; S196-E200 VanDerWaalsContact O-CG 3.27Å; S196-E200 WeakPolarHBondContact O-CG 3.47Å; S196-E200 PolarHBondContact O-N 3.48Å; S196-E200 PolarHBondContact OG-OE1 3.22Å
201R94.1Very high95.5Very high149 Ų14948.5 Ų48.556%0.56228%0.28SS*.Hα-helixtrans-111.1-24.5-169.7-56.6-174.1-175.8-161.2-4.2114.5E162 M197E162-R201 IonicContact OE1-NH1 3.36Å; E162-R201 IonicContact OE2-CZ 2.73Å; E162-R201 IonicContact OE2-NH1 3.55Å; E162-R201 PolarHBondContact OE2-NH1 3.48Å; M197-R201 VanDerWaalsContact O-CB 3.28Å; M197-R201 WeakPolarHBondContact O-CB 3.23Å; M197-R201 WeakPolarHBondContact O-CG 3.47Å; M197-R201 PolarHBondContact O-N 2.91Å
202C92.7Very high95.4Very high2 Ų250.6 Ų50.61%0.01429%0.294CS..SBendtrans-109.615.6-171.2-55.60000113.7W172 L198 Y204W172-C202 HydrophobicContact CB-CB 4.27Å; W172-C202 HydrophobicContact CD2-CB 3.67Å; W172-C202 HydrophobicContact CE3-CB 3.93Å; W172-C202 HydrophobicContact CG-CB 3.82Å; W172-C202 WeakPolarHBondContact CH2-O 3.44Å; W172-C202 WeakPolarHBondContact CZ2-O 3.49Å; W172-C202 WeakPolarHBondContact CZ3-O 3.37Å; L198-C202 HydrophobicContact CD2-CB 4.47Å; L198-C202 VanDerWaalsContact O-CA 3.3Å; L198-C202 WeakPolarHBondContact O-CA 3.29Å; L198-C202 WeakPolarHBondContact O-CB 3.44Å; L198-C202 PolarHBondContact O-N 3.49Å; C202-Y204 HydrophobicContact CB-CD2 3.74Å; C202-Y204 HydrophobicContact CB-CE2 3.62Å; C202-Y204 PolarHBondContact O-N 2.91Å
203G89.8Confident95.4Very high68 Ų6847 Ų4770%0.70128%0.281SS*.  trans55.321.6168.800000115.9
204Y94.6Very high95.4Very high25 Ų2540.9 Ų40.910%0.09825%0.253CS..  trans-67.8137.7177-75.3-70.1000110.5W172 T181 P182 L183 L198 C202W172-Y204 HydrophobicContact CE3-CE1 4.04Å; W172-Y204 HydrophobicContact CE3-CE2 4.02Å; W172-Y204 AromaticContact CE3-CZ 3.71Å; W172-Y204 HydrophobicContact CZ3-CE1 4.32Å; W172-Y204 PolarHBondContact O-OH 3.23Å; T181-Y204 HydrophobicContact CG2-CE1 3.94Å; P182-Y204 WeakPolarHBondContact CD-OH 3.46Å; P182-Y204 WeakPolarHBondContact CG-OH 3.28Å; L183-Y204 HydrophobicContact CB-CD1 4.37Å; L183-Y204 HydrophobicContact CB-CD2 4.07Å; L183-Y204 HydrophobicContact CB-CE1 4.49Å; L183-Y204 HydrophobicContact CB-CE2 4.19Å; L183-Y204 HydrophobicContact CB-CG 4.14Å; L183-Y204 HydrophobicContact CD2-CD2 4.41Å; L183-Y204 HydrophobicContact CD2-CG 4.01Å; L198-Y204 HydrophobicContact CB-CD2 4.03Å; L198-Y204 HydrophobicContact CB-CE2 4.08Å; L198-Y204 HydrophobicContact CD2-CE2 4.2Å; L198-Y204 HydrophobicContact CG-CE2 4.49Å; C202-Y204 HydrophobicContact CB-CD2 3.74Å; C202-Y204 HydrophobicContact CB-CE2 3.62Å; C202-Y204 PolarHBondContact O-N 2.91Å
205A92.1Very high95.4Very high56 Ų5641 Ų4146%0.46325%0.253SS..  trans-72.1131.6160.200000108.6D207 S208A205-D207 PolarHBondContact O-N 2.84Å; A205-S208 WeakPolarHBondContact CB-OG 3.34Å; A205-S208 WeakPolarHBondContact O-CB 3.49Å; A205-S208 PolarHBondContact O-N 2.87Å; A205-S208 PolarHBondContact O-OG 2.95Å
206P90.3Very high95.4Very high29 Ų2941 Ų4119%0.18825%0.253CS..THydrogen-bonded Turntrans-63.5-28-176.224.8-34.3000113L199 P216 H236 A238L199-P206 HydrophobicContact CD2-CB 4.26Å; P206-P216 WeakPolarHBondContact O-CD 3.35Å; P206-H236 HydrophobicContact CB-CB 4.08Å; P206-H236 HydrophobicContact CG-CB 4.39Å; P206-H236 VanDerWaalsContact CG-O 3.27Å; P206-H236 WeakPolarHBondContact CG-O 3.16Å; P206-A238 HydrophobicContact CB-CB 4.07Å
207D94.3Very high95.4Very high59 Ų5940.1 Ų40.132%0.31625%0.247SC..THydrogen-bonded Turntrans-98.619176.2-66.3-43.2000113.2A205 A209 S239A205-D207 PolarHBondContact O-N 2.84Å; D207-A209 PolarHBondContact O-N 3.11Å; D207-A209 VanDerWaalsContact O-N 3.1Å; D207-S239 PolarHBondContact OD1-N 3.15Å; D207-S239 PolarHBondContact OD2-N 3.06Å; D207-S239 VanDerWaalsContact OD2-N 3.14Å
208S93.4Very high95.5Very high35 Ų3539 Ų3925%0.24524%0.241CC..  trans-56.9120.8172.7-58.50000108.6H184 A205 P216H184-S208 PolarHBondContact CE1-O 2.94Å; H184-S208 PolarHBondContact NE2-O 2.83Å; A205-S208 WeakPolarHBondContact CB-OG 3.34Å; A205-S208 WeakPolarHBondContact O-CB 3.49Å; A205-S208 PolarHBondContact O-N 2.87Å; A205-S208 PolarHBondContact O-OG 2.95Å; S208-P216 VanDerWaalsContact O-CD 3.28Å; S208-P216 WeakPolarHBondContact O-CD 3.38Å
209A96.8Very high95.6Very high57 Ų5739.1 Ų39.147%0.47124%0.242SC..  trans-101.1144.8-17600000111.4D207 I214 T215D207-A209 PolarHBondContact O-N 3.11Å; D207-A209 VanDerWaalsContact O-N 3.1Å; A209-I214 WeakPolarHBondContact CA-O 3.34Å; A209-T215 HydrophobicContact CB-CG2 4.39Å
210D97.4Very high95.8Very high19 Ų1938.3 Ų38.310%0.10224%0.238CC..  trans-75.4-176.8171.781.6-3.3000112.4T178 R180 H184 C212 G213 I214T178-D210 WeakPolarHBondContact O-CB 3.39Å; R180-D210 HydrophobicContact CG-CB 3.61Å; R180-D210 VanDerWaalsContact CG-OD2 3.31Å; R180-D210 WeakPolarHBondContact CG-OD2 3.21Å; R180-D210 IonicContact NE-OD2 3.45Å; H184-D210 PolarHBondContact NE2-N 3.03Å; D210-C212 PolarHBondContact O-N 3.14Å; D210-C212 WeakPolarHBondContact OD1-CA 3.49Å; D210-C212 WeakPolarHBondContact OD1-CB 3.23Å; D210-C212 PolarHBondContact OD1-N 3.37Å; D210-G213 PolarHBondContact O-N 2.98Å; D210-G213 PolarHBondContact OD1-N 2.71Å; D210-I214 PolarHBondContact N-O 3.19Å; D210-I214 WeakPolarHBondContact OD1-CB 3.48Å; D210-I214 PolarHBondContact OD1-N 3.23Å
211S97.6Very high96Very high84 Ų8432.3 Ų32.359%0.58721%0.21SC*.THydrogen-bonded Turntrans-61.9-16.8-179.5-600000114.3T178T178-S211 WeakPolarHBondContact O-CB 3.5Å; T178-S211 PolarHBondContact O-N 2.81Å; T178-S211 PolarHBondContact O-OG 3.2Å; T178-S211 VanDerWaalsContact O-OG 3.1Å
212C97.1Very high96.1Very high64 Ų6428.1 Ų28.143%0.43219%0.194SC..THydrogen-bonded Turntrans-982.7175.8-66.70000112.2D210 I214 D244 V245D210-C212 PolarHBondContact O-N 3.14Å; D210-C212 WeakPolarHBondContact OD1-CA 3.49Å; D210-C212 WeakPolarHBondContact OD1-CB 3.23Å; D210-C212 PolarHBondContact OD1-N 3.37Å; C212-I214 VanDerWaalsContact C-N 3.27Å; C212-I214 HydrophobicContact CB-CG1 4.02Å; C212-D244 WeakPolarHBondContact O-CB 3.07Å; C212-V245 WeakPolarHBondContact O-CG1 2.84Å; C212-V245 WeakPolarHBondContact O-CG2 3.37Å; C212-V245 PolarHBondContact O-N 3.16Å
213G97.6Very high96.4Very high12 Ų1231.1 Ų31.112%0.12421%0.21CC..  trans77.312.4-175.800000113.4D210D210-G213 PolarHBondContact O-N 2.98Å; D210-G213 PolarHBondContact OD1-N 2.71Å
214I98.3Very high96.8Very high13 Ų1329.2 Ų29.27%0.06719%0.19CC..  trans-78.7131.9178.7-57.1-61000109.1H184 A209 D210 C212 M218 D244H184-I214 PolarHBondContact NE2-O 3.39Å; A209-I214 WeakPolarHBondContact CA-O 3.34Å; D210-I214 PolarHBondContact N-O 3.19Å; D210-I214 WeakPolarHBondContact OD1-CB 3.48Å; D210-I214 PolarHBondContact OD1-N 3.23Å; C212-I214 VanDerWaalsContact C-N 3.27Å; C212-I214 HydrophobicContact CB-CG1 4.02Å; I214-M218 HydrophobicContact CB-SD 4.46Å; I214-M218 HydrophobicContact CD1-SD 3.96Å; I214-M218 HydrophobicContact CG2-CB 4.01Å; I214-M218 HydrophobicContact CG2-SD 4.33Å; I214-D244 HydrophobicContact CD1-CB 3.8Å
215T98.3Very high96.9Very high4 Ų430.7 Ų30.73%0.02520%0.198CC..  trans-100.9160.9175.770.60000111.8A209 F217 M218 D219 A242A209-T215 HydrophobicContact CB-CG2 4.39Å; T215-F217 PolarHBondContact O-N 3.37Å; T215-M218 WeakPolarHBondContact O-CB 3.31Å; T215-M218 PolarHBondContact O-N 2.85Å; T215-M218 PolarHBondContact OG1-N 3.01Å; T215-D219 PolarHBondContact O-N 3.07Å; T215-A242 HydrophobicContact CG2-CB 3.94Å
216P98.4Very high97.2Very high0 Ų029.6 Ų29.60%018%0.184CC..Hα-helixtrans-54.9-33.5172.5-27.534.7000113.6L183 A187 P206 S208 D219 A220 L232L183-P216 HydrophobicContact CB-CG 4.49Å; L183-P216 HydrophobicContact CD2-CB 4.31Å; L183-P216 HydrophobicContact CD2-CG 3.74Å; L183-P216 HydrophobicContact CG-CB 3.99Å; L183-P216 HydrophobicContact CG-CG 3.71Å; A187-P216 HydrophobicContact CB-CB 3.91Å; A187-P216 WeakPolarHBondContact CB-O 3.5Å; P206-P216 WeakPolarHBondContact O-CD 3.35Å; S208-P216 VanDerWaalsContact O-CD 3.28Å; S208-P216 WeakPolarHBondContact O-CD 3.38Å; P216-D219 WeakPolarHBondContact O-CB 3.36Å; P216-D219 PolarHBondContact O-N 2.69Å; P216-A220 PolarHBondContact O-N 2.8Å; P216-L232 HydrophobicContact CB-CD1 4.11Å; P216-L232 HydrophobicContact CB-CD2 4.43Å
217F98.6Very high97.6Very high0 Ų031.6 Ų31.60%020%0.197CC..Hα-helixtrans-65.6-44.7175.6179.6-96.9000111.7T215 D219 A220 V221 A229 L232 I233 A238 P240 P250 F265 L266 L270T215-F217 PolarHBondContact O-N 3.37Å; F217-D219 VanDerWaalsContact C-N 3.29Å; F217-D219 PolarHBondContact O-N 3.01Å; F217-A220 PolarHBondContact O-N 3.29Å; F217-V221 HydrophobicContact CD1-CG1 4.45Å; F217-V221 HydrophobicContact CE1-CG1 3.92Å; F217-V221 HydrophobicContact CE1-CG2 4.48Å; F217-V221 HydrophobicContact CE2-CG1 3.98Å; F217-V221 HydrophobicContact CZ-CG1 3.67Å; F217-V221 WeakPolarHBondContact O-CG2 3.43Å; F217-V221 PolarHBondContact O-N 3.13Å; F217-A229 HydrophobicContact CD2-CB 4.14Å; F217-A229 HydrophobicContact CE2-CB 3.75Å; F217-L232 HydrophobicContact CB-CD1 4.17Å; F217-L232 HydrophobicContact CD2-CB 4.33Å; F217-I233 HydrophobicContact CD2-CD1 3.77Å; F217-I233 HydrophobicContact CD2-CG1 3.74Å; F217-I233 HydrophobicContact CE2-CD1 3.57Å; F217-I233 HydrophobicContact CE2-CG1 3.29Å; F217-I233 HydrophobicContact CG-CD1 4.39Å; F217-I233 HydrophobicContact CZ-CD1 4.03Å; F217-I233 HydrophobicContact CZ-CG1 4.06Å; F217-A238 HydrophobicContact CB-CB 4.35Å; F217-P240 HydrophobicContact CE1-CB 3.94Å; F217-P240 HydrophobicContact CZ-CB 4.02Å; F217-P250 HydrophobicContact CD1-CB 4.44Å; F217-P250 HydrophobicContact CD1-CG 3.85Å; F217-P250 HydrophobicContact CE1-CB 4.01Å; F217-P250 HydrophobicContact CE1-CG 3.82Å; F217-F265 HydrophobicContact CE2-CE1 4.2Å; F217-F265 HydrophobicContact CZ-CE1 4.23Å; F217-L266 HydrophobicContact CE1-CD2 3.68Å; F217-L266 HydrophobicContact CZ-CD2 3.67Å; F217-L270 HydrophobicContact CE2-CD1 4.36Å; F217-L270 HydrophobicContact CZ-CD1 3.83Å
218M98.5Very high97.8Very high0 Ų028.9 Ų28.90%018%0.183CC..Hα-helixtrans-58.7-42.3174.1-69.7175.4-176.100111.6I214 T215 V221 R222 A242 P250I214-M218 HydrophobicContact CB-SD 4.46Å; I214-M218 HydrophobicContact CD1-SD 3.96Å; I214-M218 HydrophobicContact CG2-CB 4.01Å; I214-M218 HydrophobicContact CG2-SD 4.33Å; T215-M218 WeakPolarHBondContact O-CB 3.31Å; T215-M218 PolarHBondContact O-N 2.85Å; T215-M218 PolarHBondContact OG1-N 3.01Å; M218-V221 WeakPolarHBondContact O-CG2 3.49Å; M218-R222 WeakPolarHBondContact O-CB 3.38Å; M218-R222 WeakPolarHBondContact O-CG 3.23Å; M218-R222 PolarHBondContact O-N 2.85Å; M218-A242 HydrophobicContact CE-CB 3.9Å; M218-A242 WeakPolarHBondContact CE-O 3.5Å; M218-P250 HydrophobicContact CG-CG 3.86Å
219D98.5Very high98.1Very high2 Ų227.2 Ų27.21%0.01117%0.171CC..Hα-helixtrans-61.5-42176.6-81-41.8000112.7R180 H184 A187 M188 T215 P216 F217 N223R180-D219 IonicContact CZ-OD1 3.94Å; R180-D219 IonicContact CZ-OD2 3.13Å; R180-D219 IonicContact NE-OD2 2.69Å; R180-D219 IonicContact NH2-OD1 3.96Å; R180-D219 PolarHBondContact NH2-OD1 2.97Å; R180-D219 IonicContact NH2-OD2 2.85Å; R180-D219 PolarHBondContact NH2-OD2 3.35Å; H184-D219 IonicContact CD2-OD2 2.71Å; H184-D219 PolarHBondContact CD2-OD2 3.38Å; H184-D219 IonicContact CG-OD2 2.84Å; A187-D219 HydrophobicContact CB-CB 4.43Å; M188-D219 HydrophobicContact CB-CB 4Å; M188-D219 WeakPolarHBondContact CE-OD1 3.41Å; T215-D219 PolarHBondContact O-N 3.07Å; P216-D219 WeakPolarHBondContact O-CB 3.36Å; P216-D219 PolarHBondContact O-N 2.69Å; F217-D219 VanDerWaalsContact C-N 3.29Å; F217-D219 PolarHBondContact O-N 3.01Å; D219-N223 PolarHBondContact O-N 3.27Å; D219-N223 PolarHBondContact O-ND2 3.12Å
220A98.6Very high98.1Very high0 Ų028.6 Ų28.60%016%0.164CC..Hα-helixtrans-64.2-52.5177.900000111.6P216 F217 N223 G224 H225 V228 A229 L232P216-A220 PolarHBondContact O-N 2.8Å; F217-A220 PolarHBondContact O-N 3.29Å; A220-N223 PolarHBondContact O-N 3Å; A220-G224 PolarHBondContact O-N 2.96Å; A220-G224 VanDerWaalsContact O-N 3.16Å; A220-H225 HydrophobicContact CB-CB 4.4Å; A220-H225 PolarHBondContact O-N 3.48Å; A220-V228 HydrophobicContact CB-CB 3.97Å; A220-V228 HydrophobicContact CB-CG1 3.71Å; A220-A229 HydrophobicContact CB-CB 4.15Å; A220-L232 HydrophobicContact CB-CD1 4.49Å
221V98.4Very high98.1Very high0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-69.6-39-174.5-61.30000112.9F217 M218 N223 G224 A229 P250 V254 A262 L266F217-V221 HydrophobicContact CD1-CG1 4.45Å; F217-V221 HydrophobicContact CE1-CG1 3.92Å; F217-V221 HydrophobicContact CE1-CG2 4.48Å; F217-V221 HydrophobicContact CE2-CG1 3.98Å; F217-V221 HydrophobicContact CZ-CG1 3.67Å; F217-V221 WeakPolarHBondContact O-CG2 3.43Å; F217-V221 PolarHBondContact O-N 3.13Å; M218-V221 WeakPolarHBondContact O-CG2 3.49Å; V221-N223 PolarHBondContact O-N 3.27Å; V221-G224 PolarHBondContact O-N 3.34Å; V221-A229 HydrophobicContact CG1-CB 3.66Å; V221-P250 HydrophobicContact CG2-CB 4.09Å; V221-V254 HydrophobicContact CB-CG1 3.94Å; V221-V254 HydrophobicContact CG2-CG1 3.93Å; V221-A262 HydrophobicContact CB-CB 4.26Å; V221-A262 WeakPolarHBondContact O-CB 3.49Å; V221-L266 HydrophobicContact CG1-CD2 4.47Å
222R97.4Very high98.1Very high62 Ų6224 Ų2423%0.23413%0.133CC..Hα-helixtrans-67.3-21.6-179.978-175.9-65.5167.38.5112.9M218 Q253 T257 Q259M218-R222 WeakPolarHBondContact O-CB 3.38Å; M218-R222 WeakPolarHBondContact O-CG 3.23Å; M218-R222 PolarHBondContact O-N 2.85Å; R222-Q253 HydrophobicContact CB-CB 4.21Å; R222-T257 HydrophobicContact CB-CG2 4.12Å; R222-T257 VanDerWaalsContact O-CB 3.24Å; R222-T257 WeakPolarHBondContact O-CB 3.41Å; R222-T257 WeakPolarHBondContact O-CG2 3.48Å; R222-T257 PolarHBondContact O-OG1 3.37Å; R222-Q259 VanDerWaalsContact O-CG 3.31Å; R222-Q259 WeakPolarHBondContact O-CG 3.38Å
223N98.1Very high98.1Very high64 Ų6422.4 Ų22.434%0.34212%0.12SC..THydrogen-bonded Turntrans-101.35.9174.9-67.4-72.3000112.9D219 A220 V221 H225D219-N223 PolarHBondContact O-N 3.27Å; D219-N223 PolarHBondContact O-ND2 3.12Å; A220-N223 PolarHBondContact O-N 3Å; V221-N223 PolarHBondContact O-N 3.27Å; N223-H225 VanDerWaalsContact C-N 3.32Å; N223-H225 PolarHBondContact O-N 3.43Å
224G97.6Very high97.9Very high28 Ų2828 Ų2829%0.28914%0.143SC..THydrogen-bonded Turntrans75.813.8176.400000114.9A220 V221 L226A220-G224 PolarHBondContact O-N 2.96Å; A220-G224 VanDerWaalsContact O-N 3.16Å; V221-G224 PolarHBondContact O-N 3.34Å; G224-L226 VanDerWaalsContact C-N 3.27Å; G224-L226 PolarHBondContact O-N 3.29Å
225H98.6Very high97.5Very high56 Ų5633.9 Ų33.926%0.25917%0.168SC..  trans-83.166.6-179-59.8-47000111.9M188 G190 A220 N223 P227 V228 A229M188-H225 PolarHBondContact O-CD2 3.39Å; M188-H225 VanDerWaalsContact O-CD2 3.31Å; M188-H225 PolarHBondContact O-NE2 3.14Å; G190-H225 VanDerWaalsContact CA-CD2 3.41Å; G190-H225 WeakPolarHBondContact CA-CD2 3.4Å; G190-H225 PolarHBondContact N-CD2 3.24Å; G190-H225 PolarHBondContact N-NE2 3.04Å; A220-H225 HydrophobicContact CB-CB 4.4Å; A220-H225 PolarHBondContact O-N 3.48Å; N223-H225 VanDerWaalsContact C-N 3.32Å; N223-H225 PolarHBondContact O-N 3.43Å; H225-P227 VanDerWaalsContact C-CD 3.46Å; H225-V228 HydrophobicContact CB-CB 4.28Å; H225-V228 HydrophobicContact CB-CG2 4.33Å; H225-V228 WeakPolarHBondContact O-CB 3.34Å; H225-V228 PolarHBondContact O-N 3.37Å; H225-A229 PolarHBondContact O-N 3.38Å
226L98.3Very high97.2Very high33 Ų3335.8 Ų35.817%0.17318%0.176CC..Hα-helixtrans-56-38.6-179.3-71.6-176.2000115.1G224 V228 A229 R230 E261 A262 F265G224-L226 VanDerWaalsContact C-N 3.27Å; G224-L226 PolarHBondContact O-N 3.29Å; L226-V228 VanDerWaalsContact C-N 3.31Å; L226-V228 PolarHBondContact O-N 3.19Å; L226-A229 PolarHBondContact O-N 2.99Å; L226-A229 VanDerWaalsContact O-N 3.16Å; L226-R230 WeakPolarHBondContact O-CG 3.47Å; L226-R230 PolarHBondContact O-N 2.94Å; L226-E261 HydrophobicContact CD1-CB 4.06Å; L226-A262 HydrophobicContact CD2-CB 4.18Å; L226-F265 HydrophobicContact CD2-CB 3.77Å; L226-F265 HydrophobicContact CD2-CD1 3.55Å; L226-F265 HydrophobicContact CD2-CE1 4.32Å; L226-F265 HydrophobicContact CD2-CG 3.74Å
227P98.4Very high96.9Very high72 Ų7243.7 Ų43.747%0.46821%0.213SC..Hα-helixtrans-60.1-40.9176.5-25.435.6000112.8E192 H225 R230 L231E192-P227 WeakPolarHBondContact OE2-CB 3.22Å; H225-P227 VanDerWaalsContact C-CD 3.46Å; P227-R230 PolarHBondContact O-N 2.96Å; P227-L231 WeakPolarHBondContact O-CB 3.04Å; P227-L231 PolarHBondContact O-N 3.3Å
228V98.6Very high96.8Very high1 Ų144 Ų441%0.00622%0.216CC..Hα-helixtrans-65.4-43.4173.2176.20000111.4A187 E192 V195 A220 H225 L226 R230 L231 L232A187-V228 HydrophobicContact CB-CG1 3.94Å; E192-V228 HydrophobicContact CB-CG2 4.03Å; V195-V228 HydrophobicContact CB-CG1 4.46Å; V195-V228 HydrophobicContact CG1-CG1 4.23Å; V195-V228 HydrophobicContact CG2-CG1 3.95Å; V195-V228 HydrophobicContact CG2-CG2 4.48Å; A220-V228 HydrophobicContact CB-CB 3.97Å; A220-V228 HydrophobicContact CB-CG1 3.71Å; H225-V228 HydrophobicContact CB-CB 4.28Å; H225-V228 HydrophobicContact CB-CG2 4.33Å; H225-V228 WeakPolarHBondContact O-CB 3.34Å; H225-V228 PolarHBondContact O-N 3.37Å; L226-V228 VanDerWaalsContact C-N 3.31Å; L226-V228 PolarHBondContact O-N 3.19Å; V228-R230 PolarHBondContact O-N 3.13Å; V228-L231 WeakPolarHBondContact O-CB 3.44Å; V228-L231 PolarHBondContact O-N 2.97Å; V228-L232 HydrophobicContact CG1-CD1 3.89Å; V228-L232 HydrophobicContact CG1-CG 4.39Å; V228-L232 WeakPolarHBondContact O-CG 3.4Å; V228-L232 PolarHBondContact O-N 3.22Å
229A98.3Very high96.7Very high0 Ų045.7 Ų45.70%023%0.228CC..Hα-helixtrans-60.8-44.4178.900000111.7F217 A220 V221 H225 L226 L232 I233 F265F217-A229 HydrophobicContact CD2-CB 4.14Å; F217-A229 HydrophobicContact CE2-CB 3.75Å; A220-A229 HydrophobicContact CB-CB 4.15Å; V221-A229 HydrophobicContact CG1-CB 3.66Å; H225-A229 PolarHBondContact O-N 3.38Å; L226-A229 PolarHBondContact O-N 2.99Å; L226-A229 VanDerWaalsContact O-N 3.16Å; A229-L232 PolarHBondContact O-N 3.48Å; A229-I233 WeakPolarHBondContact O-CG1 3.38Å; A229-I233 PolarHBondContact O-N 3.41Å; A229-I233 VanDerWaalsContact O-N 3.12Å; A229-F265 HydrophobicContact CB-CE1 3.92Å
230R98Very high96.6Very high86 Ų8647 Ų4733%0.32524%0.236SC..Hα-helixtrans-61.9-46.3174.2-72.1-175.4-169.9-77.6-4.4111.4L226 P227 V228 L232 I233 E234 F265 D269L226-R230 WeakPolarHBondContact O-CG 3.47Å; L226-R230 PolarHBondContact O-N 2.94Å; P227-R230 PolarHBondContact O-N 2.96Å; V228-R230 PolarHBondContact O-N 3.13Å; R230-L232 VanDerWaalsContact C-N 3.32Å; R230-L232 PolarHBondContact O-N 2.79Å; R230-I233 PolarHBondContact O-N 3.04Å; R230-E234 IonicContact NH1-OE1 3.03Å; R230-E234 VanDerWaalsContact O-CB 3.24Å; R230-E234 WeakPolarHBondContact O-CB 3.46Å; R230-E234 WeakPolarHBondContact O-CG 3.4Å; R230-E234 PolarHBondContact O-N 3.07Å; R230-F265 HydrophobicContact CG-CE2 3.83Å; R230-F265 HydrophobicContact CG-CZ 3.81Å; R230-F265 VanDerWaalsContact NH1-CE2 3.32Å; R230-D269 IonicContact CZ-OD2 2.79Å; R230-D269 IonicContact NH1-OD2 3.65Å; R230-D269 PolarHBondContact NH1-OD2 3.06Å; R230-D269 IonicContact NH2-OD2 3.1Å; R230-D269 PolarHBondContact NH2-OD2 3.25Å
231L97.8Very high96.6Very high8 Ų850.1 Ų50.14%0.04226%0.255CS..Hα-helixtrans-54.3-47.7176177.366000112E192 V195 P227 V228 K235 H236E192-L231 HydrophobicContact CG-CD2 3.97Å; V195-L231 HydrophobicContact CB-CD2 4.05Å; V195-L231 HydrophobicContact CG1-CD2 3.75Å; P227-L231 WeakPolarHBondContact O-CB 3.04Å; P227-L231 PolarHBondContact O-N 3.3Å; V228-L231 WeakPolarHBondContact O-CB 3.44Å; V228-L231 PolarHBondContact O-N 2.97Å; L231-K235 HydrophobicContact CD1-CB 4.23Å; L231-K235 HydrophobicContact CD1-CD 3.55Å; L231-K235 HydrophobicContact CD1-CG 4.01Å; L231-K235 WeakPolarHBondContact O-CB 3.49Å; L231-K235 PolarHBondContact O-N 3.13Å; L231-K235 VanDerWaalsContact O-N 3.13Å; L231-H236 PolarHBondContact O-CD2 3.2Å
232L97.6Very high96.5Very high0 Ų051.1 Ų51.10%026%0.263CS..Hα-helixtrans-63.5-42.1-179.5-74.9166.8000112.8V195 L199 P216 F217 A220 V228 A229 R230 H236 Q237 A238V195-L232 HydrophobicContact CG1-CD2 4.2Å; V195-L232 HydrophobicContact CG1-CG 4.38Å; L199-L232 HydrophobicContact CD1-CD2 3.66Å; P216-L232 HydrophobicContact CB-CD1 4.11Å; P216-L232 HydrophobicContact CB-CD2 4.43Å; F217-L232 HydrophobicContact CB-CD1 4.17Å; F217-L232 HydrophobicContact CD2-CB 4.33Å; A220-L232 HydrophobicContact CB-CD1 4.49Å; V228-L232 HydrophobicContact CG1-CD1 3.89Å; V228-L232 HydrophobicContact CG1-CG 4.39Å; V228-L232 WeakPolarHBondContact O-CG 3.4Å; V228-L232 PolarHBondContact O-N 3.22Å; A229-L232 PolarHBondContact O-N 3.48Å; R230-L232 VanDerWaalsContact C-N 3.32Å; R230-L232 PolarHBondContact O-N 2.79Å; L232-H236 CarbonylContact O-C 3.53Å; L232-H236 VanDerWaalsContact O-C 3.27Å; L232-H236 WeakPolarHBondContact O-CA 3.49Å; L232-H236 WeakPolarHBondContact O-CB 3.41Å; L232-H236 PolarHBondContact O-N 3.35Å; L232-Q237 PolarHBondContact O-N 3.19Å; L232-Q237 VanDerWaalsContact O-N 3.12Å; L232-A238 HydrophobicContact CB-CB 3.95Å; L232-A238 WeakPolarHBondContact O-CB 3.32Å; L232-A238 PolarHBondContact O-N 3.47Å
233I96Very high96.5Very high30 Ų3050.6 Ų50.615%0.15427%0.272CS..Hα-helixtrans-75.2-55.4179.5-62.9-65000111.1F217 A229 R230 Q237 A238 P240 L270F217-I233 HydrophobicContact CD2-CD1 3.77Å; F217-I233 HydrophobicContact CD2-CG1 3.74Å; F217-I233 HydrophobicContact CE2-CD1 3.57Å; F217-I233 HydrophobicContact CE2-CG1 3.29Å; F217-I233 HydrophobicContact CG-CD1 4.39Å; F217-I233 HydrophobicContact CZ-CD1 4.03Å; F217-I233 HydrophobicContact CZ-CG1 4.06Å; A229-I233 WeakPolarHBondContact O-CG1 3.38Å; A229-I233 PolarHBondContact O-N 3.41Å; A229-I233 VanDerWaalsContact O-N 3.12Å; R230-I233 PolarHBondContact O-N 3.04Å; I233-Q237 WeakPolarHBondContact O-CA 2.95Å; I233-Q237 PolarHBondContact O-N 3.31Å; I233-A238 HydrophobicContact CD1-CB 4.13Å; I233-A238 WeakPolarHBondContact CD1-O 3.18Å; I233-P240 HydrophobicContact CD1-CB 3.95Å; I233-P240 HydrophobicContact CD1-CG 4.25Å; I233-L270 HydrophobicContact CD1-CD1 4.36Å; I233-L270 HydrophobicContact CG1-CD1 4.08Å; I233-L270 HydrophobicContact CG2-CD2 4.1Å
234E93Very high96.4Very high130 Ų13048.4 Ų48.461%0.60726%0.261SS*.Hα-helixtrans-72.9-38.9-166.8-64.9172.7-168.700112.2R230R230-E234 IonicContact NH1-OE1 3.03Å; R230-E234 VanDerWaalsContact O-CB 3.24Å; R230-E234 WeakPolarHBondContact O-CB 3.46Å; R230-E234 WeakPolarHBondContact O-CG 3.4Å; R230-E234 PolarHBondContact O-N 3.07Å
235K90.6Very high96.4Very high135 Ų13552 Ų5259%0.58728%0.277SS*.THydrogen-bonded Turntrans-98.3-27.1-177.7-59.5-161-165.4166.60113.6L231L231-K235 HydrophobicContact CD1-CB 4.23Å; L231-K235 HydrophobicContact CD1-CD 3.55Å; L231-K235 HydrophobicContact CD1-CG 4.01Å; L231-K235 WeakPolarHBondContact O-CB 3.49Å; L231-K235 PolarHBondContact O-N 3.13Å; L231-K235 VanDerWaalsContact O-N 3.13Å
236H91.1Very high96.3Very high44 Ų4454.8 Ų54.820%0.20429%0.293CS..THydrogen-bonded Turntrans-121.61.5-170.9-59.3-77.1000114L199 P206 L231 L232 A238L199-H236 WeakPolarHBondContact CB-CE1 3.47Å; L199-H236 HydrophobicContact CD1-CB 4.25Å; L199-H236 WeakPolarHBondContact CD1-CD2 3.42Å; P206-H236 HydrophobicContact CB-CB 4.08Å; P206-H236 HydrophobicContact CG-CB 4.39Å; P206-H236 VanDerWaalsContact CG-O 3.27Å; P206-H236 WeakPolarHBondContact CG-O 3.16Å; L231-H236 PolarHBondContact O-CD2 3.2Å; L232-H236 CarbonylContact O-C 3.53Å; L232-H236 VanDerWaalsContact O-C 3.27Å; L232-H236 WeakPolarHBondContact O-CA 3.49Å; L232-H236 WeakPolarHBondContact O-CB 3.41Å; L232-H236 PolarHBondContact O-N 3.35Å; H236-A238 VanDerWaalsContact C-N 3.26Å; H236-A238 PolarHBondContact O-N 3.14Å
237Q93Very high96.2Very high167 Ų16754.6 Ų54.678%0.7830%0.299SS*.  trans58.533.9173.8-57.9162.356.800113.6L232 I233L232-Q237 PolarHBondContact O-N 3.19Å; L232-Q237 VanDerWaalsContact O-N 3.12Å; I233-Q237 WeakPolarHBondContact O-CA 2.95Å; I233-Q237 PolarHBondContact O-N 3.31Å
238A96.3Very high96.2Very high6 Ų651.4 Ų51.45%0.0528%0.279CS..  trans-58.4154.617100000111.1P206 F217 L232 I233 H236 P240P206-A238 HydrophobicContact CB-CB 4.07Å; F217-A238 HydrophobicContact CB-CB 4.35Å; L232-A238 HydrophobicContact CB-CB 3.95Å; L232-A238 WeakPolarHBondContact O-CB 3.32Å; L232-A238 PolarHBondContact O-N 3.47Å; I233-A238 HydrophobicContact CD1-CB 4.13Å; I233-A238 WeakPolarHBondContact CD1-O 3.18Å; H236-A238 VanDerWaalsContact C-N 3.26Å; H236-A238 PolarHBondContact O-N 3.14Å; A238-P240 WeakPolarHBondContact O-CD 3.42Å
239S96.9Very high96.1Very high36 Ų3652.7 Ų52.725%0.25228%0.284SS..  trans-87.4120.6178.7179.80000111.6D207 V241 A242D207-S239 PolarHBondContact OD1-N 3.15Å; D207-S239 PolarHBondContact OD2-N 3.06Å; D207-S239 VanDerWaalsContact OD2-N 3.14Å; S239-V241 PolarHBondContact O-N 3.11Å; S239-V241 PolarHBondContact OG-N 3.15Å; S239-A242 PolarHBondContact OG-N 3.03Å
240P97Very high96.1Very high29 Ų2952.7 Ų52.719%0.18828%0.284CS..THydrogen-bonded Turntrans-77.9-3176.232.9-34.3000113.6F217 I233 A238 P250 L270 V272F217-P240 HydrophobicContact CE1-CB 3.94Å; F217-P240 HydrophobicContact CZ-CB 4.02Å; I233-P240 HydrophobicContact CD1-CB 3.95Å; I233-P240 HydrophobicContact CD1-CG 4.25Å; A238-P240 WeakPolarHBondContact O-CD 3.42Å; P240-P250 VanDerWaalsContact O-CG 3.27Å; P240-P250 WeakPolarHBondContact O-CG 3.45Å; P240-L270 HydrophobicContact CB-CB 4.38Å; P240-L270 HydrophobicContact CB-CD1 3.6Å; P240-L270 HydrophobicContact CG-CD1 4.32Å; P240-V272 HydrophobicContact CB-CG2 4.15Å
241V97.3Very high96.1Very high65 Ų6548.6 Ų48.639%0.39427%0.269SS..THydrogen-bonded Turntrans-124.813.1-176.2-62.60000112.6S239 Q249 V272S239-V241 PolarHBondContact O-N 3.11Å; S239-V241 PolarHBondContact OG-N 3.15Å; V241-Q249 PolarHBondContact O-NE2 3.29Å; V241-V272 HydrophobicContact CG1-CG1 4.21Å; V241-V272 HydrophobicContact CG1-CG2 3.93Å
242A97.1Very high96.2Very high21 Ų2148.2 Ų48.217%0.17427%0.267CS..  trans-52.2146.6168.500000109.8T215 M218 S239 Q249 P250T215-A242 HydrophobicContact CG2-CB 3.94Å; M218-A242 HydrophobicContact CE-CB 3.9Å; M218-A242 WeakPolarHBondContact CE-O 3.5Å; S239-A242 PolarHBondContact OG-N 3.03Å; A242-Q249 WeakPolarHBondContact O-CA 3.24Å; A242-P250 WeakPolarHBondContact O-CD 3.4Å
243A96.8Very high96.2Very high51 Ų5149.1 Ų49.142%0.42127%0.271SS..  trans-121.6139.9-178.600000110A248 Q249A243-A248 WeakPolarHBondContact CA-O 3.48Å; A243-Q249 HydrophobicContact CB-CG 4.1Å
244D97.2Very high96.3Very high19 Ų1947.7 Ų47.710%0.10226%0.264CS..  trans-72.5-179.917576.29000111.6C212 I214 L246 G247 A248 Q253C212-D244 WeakPolarHBondContact O-CB 3.07Å; I214-D244 HydrophobicContact CD1-CB 3.8Å; D244-L246 PolarHBondContact O-N 3.4Å; D244-L246 VanDerWaalsContact OD1-CA 3.31Å; D244-L246 WeakPolarHBondContact OD1-CA 3.38Å; D244-L246 WeakPolarHBondContact OD1-CB 3.43Å; D244-L246 PolarHBondContact OD1-N 3.04Å; D244-G247 WeakPolarHBondContact O-CA 2.96Å; D244-G247 PolarHBondContact O-N 3.17Å; D244-G247 PolarHBondContact OD1-N 2.97Å; D244-G247 VanDerWaalsContact OD1-N 3.11Å; D244-A248 PolarHBondContact N-O 2.88Å; D244-A248 WeakPolarHBondContact OD1-CB 2.97Å; D244-A248 PolarHBondContact OD1-N 2.85Å; D244-A248 WeakPolarHBondContact OD2-CB 3.33Å; D244-Q253 PolarHBondContact OD2-NE2 3.49Å; D244-Q253 VanDerWaalsContact OD2-NE2 3.11Å
245V97.1Very high96.5Very high104 Ų10441.5 Ų41.563%0.6324%0.235SC*.THydrogen-bonded Turntrans-62.3-17.1-179.3-65.30000113.8C212C212-V245 WeakPolarHBondContact O-CG1 2.84Å; C212-V245 WeakPolarHBondContact O-CG2 3.37Å; C212-V245 PolarHBondContact O-N 3.16Å
246L95.8Very high96.9Very high113 Ų11336.9 Ų36.959%0.59222%0.218SC*.THydrogen-bonded Turntrans-95.63.8174.7-55.6178.8000111.6D244 A248 T279D244-L246 PolarHBondContact O-N 3.4Å; D244-L246 VanDerWaalsContact OD1-CA 3.31Å; D244-L246 WeakPolarHBondContact OD1-CA 3.38Å; D244-L246 WeakPolarHBondContact OD1-CB 3.43Å; D244-L246 PolarHBondContact OD1-N 3.04Å; L246-A248 VanDerWaalsContact C-N 3.28Å; L246-A248 PolarHBondContact O-N 3.09Å; L246-T279 HydrophobicContact CB-CG2 4.09Å; L246-T279 WeakPolarHBondContact O-CA 3.32Å; L246-T279 WeakPolarHBondContact O-CG2 3.31Å; L246-T279 PolarHBondContact O-N 2.84Å
247G96.6Very high97.2Very high30 Ų3037 Ų3731%0.30922%0.222SC..  trans76.211.9-17600000113.8D244 A278D244-G247 WeakPolarHBondContact O-CA 2.96Å; D244-G247 PolarHBondContact O-N 3.17Å; D244-G247 PolarHBondContact OD1-N 2.97Å; D244-G247 VanDerWaalsContact OD1-N 3.11Å; G247-A278 WeakPolarHBondContact O-CB 3.45Å
248A97.4Very high97.4Very high4 Ų430.4 Ų30.43%0.03320%0.199CC..  trans-82.4125.2177.200000111.1A243 D244 L246 H252 A278A243-A248 WeakPolarHBondContact CA-O 3.48Å; D244-A248 PolarHBondContact N-O 2.88Å; D244-A248 WeakPolarHBondContact OD1-CB 2.97Å; D244-A248 PolarHBondContact OD1-N 2.85Å; D244-A248 WeakPolarHBondContact OD2-CB 3.33Å; L246-A248 VanDerWaalsContact C-N 3.28Å; L246-A248 PolarHBondContact O-N 3.09Å; A248-H252 HydrophobicContact CB-CB 4.2Å; A248-A278 HydrophobicContact CB-CB 3.96Å
249Q97.8Very high97.5Very high28 Ų2833 Ų3313%0.13121%0.21CC..  trans-91.2167.1176.2-69.7-173.7-1400112.8V241 A242 A243 V251 H252 Q253V241-Q249 PolarHBondContact O-NE2 3.29Å; A242-Q249 WeakPolarHBondContact O-CA 3.24Å; A243-Q249 HydrophobicContact CB-CG 4.1Å; Q249-V251 HydrophobicContact CB-CG1 4.35Å; Q249-V251 PolarHBondContact O-N 3.03Å; Q249-V251 VanDerWaalsContact O-N 3.09Å; Q249-H252 PolarHBondContact N-ND1 2.99Å; Q249-H252 VanDerWaalsContact N-ND1 3.15Å; Q249-H252 WeakPolarHBondContact O-CB 3.39Å; Q249-H252 PolarHBondContact O-N 3.16Å; Q249-H252 PolarHBondContact O-ND1 2.82Å; Q249-Q253 PolarHBondContact O-N 3.09Å
250P98.4Very high97.5Very high0 Ų034 Ų340%021%0.211CC..Hα-helixtrans-41.2-44.1172.5-38.840.9000115.6F217 M218 V221 P240 A242 H252 Q253 V254 L266F217-P250 HydrophobicContact CD1-CB 4.44Å; F217-P250 HydrophobicContact CD1-CG 3.85Å; F217-P250 HydrophobicContact CE1-CB 4.01Å; F217-P250 HydrophobicContact CE1-CG 3.82Å; M218-P250 HydrophobicContact CG-CG 3.86Å; V221-P250 HydrophobicContact CG2-CB 4.09Å; P240-P250 VanDerWaalsContact O-CG 3.27Å; P240-P250 WeakPolarHBondContact O-CG 3.45Å; A242-P250 WeakPolarHBondContact O-CD 3.4Å; P250-H252 VanDerWaalsContact C-N 3.26Å; P250-H252 PolarHBondContact O-N 3.28Å; P250-Q253 PolarHBondContact O-N 3.22Å; P250-Q253 VanDerWaalsContact O-N 3.09Å; P250-V254 PolarHBondContact O-N 3.35Å; P250-L266 HydrophobicContact CB-CD1 3.85Å; P250-L266 HydrophobicContact CB-CD2 3.88Å
251V98.3Very high97.6Very high0 Ų038.2 Ų38.20%023%0.228CC..Hα-helixtrans-60.9-32.3179.869.60000113.2Q249 V254 A255 L263 V272 A285Q249-V251 HydrophobicContact CB-CG1 4.35Å; Q249-V251 PolarHBondContact O-N 3.03Å; Q249-V251 VanDerWaalsContact O-N 3.09Å; V251-V254 VanDerWaalsContact O-CG2 3.3Å; V251-V254 WeakPolarHBondContact O-CG2 3.27Å; V251-A255 PolarHBondContact O-N 2.84Å; V251-L263 HydrophobicContact CG2-CD1 3.84Å; V251-V272 HydrophobicContact CB-CG1 4.06Å; V251-V272 HydrophobicContact CG1-CG1 4.22Å; V251-A285 HydrophobicContact CG2-CB 4.12Å
252H98.4Very high97.6Very high1 Ų135.1 Ų35.11%0.00521%0.209CC..Hα-helixtrans-75-40.9174.5-55.190.6000111.1A248 Q249 P250 A255 V256 Q276 A278 L283 Y288A248-H252 HydrophobicContact CB-CB 4.2Å; Q249-H252 PolarHBondContact N-ND1 2.99Å; Q249-H252 VanDerWaalsContact N-ND1 3.15Å; Q249-H252 WeakPolarHBondContact O-CB 3.39Å; Q249-H252 PolarHBondContact O-N 3.16Å; Q249-H252 PolarHBondContact O-ND1 2.82Å; P250-H252 VanDerWaalsContact C-N 3.26Å; P250-H252 PolarHBondContact O-N 3.28Å; H252-A255 WeakPolarHBondContact O-CB 3.44Å; H252-A255 PolarHBondContact O-N 3.44Å; H252-V256 WeakPolarHBondContact O-CG2 3.01Å; H252-V256 PolarHBondContact O-N 3.47Å; H252-Q276 PolarHBondContact NE2-O 2.94Å; H252-A278 PolarHBondContact NE2-N 3.2Å; H252-L283 PolarHBondContact NE2-O 3.32Å; H252-Y288 HydrophobicContact CB-CD2 4.06Å; H252-Y288 HydrophobicContact CB-CE2 4.05Å; H252-Y288 AromaticContact CD2-CD2 3.93Å; H252-Y288 AromaticContact CD2-CE2 3.76Å
253Q97.9Very high97.7Very high18 Ų1834.1 Ų34.18%0.08420%0.201CC..Hα-helixtrans-66.4-42.7-177.5-63.8-68.9-7.100111.7R222 D244 Q249 P250 A255 V256 T257R222-Q253 HydrophobicContact CB-CB 4.21Å; D244-Q253 PolarHBondContact OD2-NE2 3.49Å; D244-Q253 VanDerWaalsContact OD2-NE2 3.11Å; Q249-Q253 PolarHBondContact O-N 3.09Å; P250-Q253 PolarHBondContact O-N 3.22Å; P250-Q253 VanDerWaalsContact O-N 3.09Å; Q253-A255 PolarHBondContact O-N 3.45Å; Q253-V256 WeakPolarHBondContact O-CB 3.34Å; Q253-V256 PolarHBondContact O-N 3.44Å; Q253-V256 VanDerWaalsContact O-N 3.15Å; Q253-T257 PolarHBondContact O-N 2.96Å; Q253-T257 PolarHBondContact O-OG1 3.48Å
254V98.3Very high97.8Very high0 Ų034.7 Ų34.70%019%0.192CC..Hα-helixtrans-65-30.9175.4-600000112.1V221 P250 V251 T257 G258 Q259 A262 L263 L266V221-V254 HydrophobicContact CB-CG1 3.94Å; V221-V254 HydrophobicContact CG2-CG1 3.93Å; P250-V254 PolarHBondContact O-N 3.35Å; V251-V254 VanDerWaalsContact O-CG2 3.3Å; V251-V254 WeakPolarHBondContact O-CG2 3.27Å; V254-T257 PolarHBondContact O-N 3.23Å; V254-G258 PolarHBondContact O-N 3.06Å; V254-Q259 HydrophobicContact CB-CB 4.22Å; V254-Q259 HydrophobicContact CG1-CB 4.44Å; V254-Q259 PolarHBondContact O-N 2.9Å; V254-Q259 VanDerWaalsContact O-N 3.08Å; V254-A262 HydrophobicContact CB-CB 4.43Å; V254-A262 HydrophobicContact CG1-CB 3.75Å; V254-L263 HydrophobicContact CG2-CB 3.94Å; V254-L263 HydrophobicContact CG2-CD1 4.06Å; V254-L266 HydrophobicContact CG1-CD1 3.81Å; V254-L266 HydrophobicContact CG2-CD1 3.86Å
255A98.3Very high97.8Very high0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-71.4-30.6175.100000112.6V251 H252 Q253 A285 A289 H294 I297V251-A255 PolarHBondContact O-N 2.84Å; H252-A255 WeakPolarHBondContact O-CB 3.44Å; H252-A255 PolarHBondContact O-N 3.44Å; Q253-A255 PolarHBondContact O-N 3.45Å; A255-A285 HydrophobicContact CB-CB 3.92Å; A255-A285 WeakPolarHBondContact CB-O 3.24Å; A255-A289 HydrophobicContact CB-CB 4.28Å; A255-H294 PolarHBondContact O-CD2 3.43Å; A255-H294 VanDerWaalsContact O-CD2 3.3Å; A255-I297 HydrophobicContact CB-CG2 4.17Å
256V97.9Very high97.9Very high39 Ų3929.1 Ų29.124%0.23616%0.158CC..Hα-helixtrans-72-42171.5172.40000111.3H252 Q253 Y288 E292 H294H252-V256 WeakPolarHBondContact O-CG2 3.01Å; H252-V256 PolarHBondContact O-N 3.47Å; Q253-V256 WeakPolarHBondContact O-CB 3.34Å; Q253-V256 PolarHBondContact O-N 3.44Å; Q253-V256 VanDerWaalsContact O-N 3.15Å; V256-Y288 HydrophobicContact CG2-CD1 3.47Å; V256-Y288 VanDerWaalsContact CG2-CD1 3.47Å; V256-Y288 HydrophobicContact CG2-CE1 4.23Å; V256-Y288 HydrophobicContact CG2-CG 3.78Å; V256-E292 HydrophobicContact CG1-CG 4.33Å; V256-H294 PolarHBondContact O-CD2 3.08Å; V256-H294 PolarHBondContact O-NE2 3.27Å
257T97.8Very high98Very high46 Ų4624.7 Ų24.728%0.28214%0.136SC..Hα-helixtrans-87.9-7-174.758.50000114.6R222 Q253 V254 Q259R222-T257 HydrophobicContact CB-CG2 4.12Å; R222-T257 VanDerWaalsContact O-CB 3.24Å; R222-T257 WeakPolarHBondContact O-CB 3.41Å; R222-T257 WeakPolarHBondContact O-CG2 3.48Å; R222-T257 PolarHBondContact O-OG1 3.37Å; Q253-T257 PolarHBondContact O-N 2.96Å; Q253-T257 PolarHBondContact O-OG1 3.48Å; V254-T257 PolarHBondContact O-N 3.23Å; T257-Q259 VanDerWaalsContact OG1-CG 3.3Å; T257-Q259 WeakPolarHBondContact OG1-CG 3.47Å
258G97.6Very high98.1Very high28 Ų2828.3 Ų28.329%0.28915%0.148SC..THydrogen-bonded Turntrans79.122.1176.700000114.3V254 E260V254-G258 PolarHBondContact O-N 3.06Å; G258-E260 PolarHBondContact O-N 3Å
259Q97.8Very high98.1Very high61 Ų6132 Ų3229%0.28517%0.167SC..  trans-87.386.8-173.7-61.4-68-11.200111.6R222 V254 T257 A262 L263R222-Q259 VanDerWaalsContact O-CG 3.31Å; R222-Q259 WeakPolarHBondContact O-CG 3.38Å; V254-Q259 HydrophobicContact CB-CB 4.22Å; V254-Q259 HydrophobicContact CG1-CB 4.44Å; V254-Q259 PolarHBondContact O-N 2.9Å; V254-Q259 VanDerWaalsContact O-N 3.08Å; T257-Q259 VanDerWaalsContact OG1-CG 3.3Å; T257-Q259 WeakPolarHBondContact OG1-CG 3.47Å; Q259-A262 HydrophobicContact CB-CB 3.74Å; Q259-A262 PolarHBondContact O-N 2.81Å; Q259-L263 PolarHBondContact O-N 3.26Å
260E97.7Very high98Very high58 Ų5832.7 Ų32.727%0.27117%0.171SC..Hα-helixtrans-65.3-44.3-172.2-164.6-178.2150.300113.2G258 A262 L263 R264 A296 I297 T300G258-E260 PolarHBondContact O-N 3Å; E260-A262 VanDerWaalsContact C-N 3.31Å; E260-A262 PolarHBondContact O-N 2.96Å; E260-L263 WeakPolarHBondContact O-CB 3.46Å; E260-L263 PolarHBondContact O-N 2.85Å; E260-R264 VanDerWaalsContact CD-NH1 3.34Å; E260-R264 PolarHBondContact O-N 3.13Å; E260-R264 IonicContact OE1-CZ 2.95Å; E260-R264 IonicContact OE1-NH1 3.77Å; E260-R264 PolarHBondContact OE1-NH1 2.81Å; E260-R264 IonicContact OE1-NH2 3.93Å; E260-R264 PolarHBondContact OE1-NH2 2.65Å; E260-A296 WeakPolarHBondContact OE2-CB 3.4Å; E260-I297 VanDerWaalsContact CA-CD1 3.4Å; E260-I297 HydrophobicContact CB-CD1 3.75Å; E260-I297 HydrophobicContact CG-CD1 4.18Å; E260-T300 HydrophobicContact CG-CG2 4.18Å; E260-T300 WeakPolarHBondContact CG-OG1 3.46Å; E260-T300 PolarHBondContact OE1-OG1 3.34Å; E260-T300 VanDerWaalsContact OE1-OG1 3.13Å
261E98.1Very high98Very high116 Ų11638.6 Ų38.654%0.54221%0.207SC..Hα-helixtrans-66.3-35.2177.4-64.3-55.4117.900111.9L226 R264 F265L226-E261 HydrophobicContact CD1-CB 4.06Å; E261-R264 PolarHBondContact O-N 3.15Å; E261-R264 IonicContact OE1-NH1 2.83Å; E261-R264 PolarHBondContact OE1-NH1 3.18Å; E261-F265 WeakPolarHBondContact O-CB 3.4Å; E261-F265 PolarHBondContact O-N 3.32Å
262A98.4Very high98Very high1 Ų138.9 Ų38.91%0.00821%0.209CC..Hα-helixtrans-67.9-37.3173.600000112.1V221 L226 V254 Q259 E260 F265 L266V221-A262 HydrophobicContact CB-CB 4.26Å; V221-A262 WeakPolarHBondContact O-CB 3.49Å; L226-A262 HydrophobicContact CD2-CB 4.18Å; V254-A262 HydrophobicContact CB-CB 4.43Å; V254-A262 HydrophobicContact CG1-CB 3.75Å; Q259-A262 HydrophobicContact CB-CB 3.74Å; Q259-A262 PolarHBondContact O-N 2.81Å; E260-A262 VanDerWaalsContact C-N 3.31Å; E260-A262 PolarHBondContact O-N 2.96Å; A262-F265 PolarHBondContact O-N 3.26Å; A262-L266 VanDerWaalsContact O-CG 3.24Å; A262-L266 WeakPolarHBondContact O-CG 3.49Å; A262-L266 PolarHBondContact O-N 3.17Å
263L98.6Very high97.9Very high0 Ų043 Ų430%023%0.231CC..Hα-helixtrans-62.2-48172.7174.564.2000111.6V251 V254 Q259 E260 F265 L266 V267 I297 T300 L301 L304V251-L263 HydrophobicContact CG2-CD1 3.84Å; V254-L263 HydrophobicContact CG2-CB 3.94Å; V254-L263 HydrophobicContact CG2-CD1 4.06Å; Q259-L263 PolarHBondContact O-N 3.26Å; E260-L263 WeakPolarHBondContact O-CB 3.46Å; E260-L263 PolarHBondContact O-N 2.85Å; L263-F265 VanDerWaalsContact C-N 3.33Å; L263-F265 PolarHBondContact O-N 3.23Å; L263-L266 PolarHBondContact O-N 2.83Å; L263-V267 HydrophobicContact CD1-CG2 3.98Å; L263-V267 WeakPolarHBondContact O-CG2 3.3Å; L263-V267 PolarHBondContact O-N 3.13Å; L263-I297 HydrophobicContact CD2-CD1 4.29Å; L263-I297 HydrophobicContact CD2-CG2 4.04Å; L263-T300 HydrophobicContact CD2-CG2 3.89Å; L263-L301 HydrophobicContact CD1-CD2 3.66Å; L263-L301 HydrophobicContact CD2-CD2 3.56Å; L263-L301 HydrophobicContact CD2-CG 3.68Å; L263-L301 HydrophobicContact CG-CD2 4.22Å; L263-L304 HydrophobicContact CD2-CD1 4.37Å; L263-L304 HydrophobicContact CG-CD1 4.06Å
264R98.5Very high97.9Very high62 Ų6242.5 Ų42.523%0.23423%0.229CC..Hα-helixtrans-59.2-45.5176.5-74-165.4175.289.414.4111.5E260 E261 L266 V267 L268 T300 E303E260-R264 VanDerWaalsContact CD-NH1 3.34Å; E260-R264 PolarHBondContact O-N 3.13Å; E260-R264 IonicContact OE1-CZ 2.95Å; E260-R264 IonicContact OE1-NH1 3.77Å; E260-R264 PolarHBondContact OE1-NH1 2.81Å; E260-R264 IonicContact OE1-NH2 3.93Å; E260-R264 PolarHBondContact OE1-NH2 2.65Å; E261-R264 PolarHBondContact O-N 3.15Å; E261-R264 IonicContact OE1-NH1 2.83Å; E261-R264 PolarHBondContact OE1-NH1 3.18Å; R264-L266 PolarHBondContact O-N 3.03Å; R264-V267 PolarHBondContact O-N 3.2Å; R264-L268 HydrophobicContact CB-CD1 4.23Å; R264-L268 HydrophobicContact CG-CD1 4.46Å; R264-L268 VanDerWaalsContact O-CB 3.24Å; R264-L268 WeakPolarHBondContact O-CB 3.49Å; R264-L268 PolarHBondContact O-N 3.35Å; R264-T300 HydrophobicContact CG-CG2 4.03Å; R264-T300 PolarHBondContact NH2-OG1 3.25Å; R264-E303 IonicContact NH2-OE2 2.68Å
265F98.4Very high97.9Very high6 Ų645 Ų453%0.02624%0.242CC..Iπ-helixtrans-56.3-47.6175.4172.1-115.7000112.2F217 L226 A229 R230 E261 A262 L263 V267 D269 L270F217-F265 HydrophobicContact CE2-CE1 4.2Å; F217-F265 HydrophobicContact CZ-CE1 4.23Å; L226-F265 HydrophobicContact CD2-CB 3.77Å; L226-F265 HydrophobicContact CD2-CD1 3.55Å; L226-F265 HydrophobicContact CD2-CE1 4.32Å; L226-F265 HydrophobicContact CD2-CG 3.74Å; A229-F265 HydrophobicContact CB-CE1 3.92Å; R230-F265 HydrophobicContact CG-CE2 3.83Å; R230-F265 HydrophobicContact CG-CZ 3.81Å; R230-F265 VanDerWaalsContact NH1-CE2 3.32Å; E261-F265 WeakPolarHBondContact O-CB 3.4Å; E261-F265 PolarHBondContact O-N 3.32Å; A262-F265 PolarHBondContact O-N 3.26Å; L263-F265 VanDerWaalsContact C-N 3.33Å; L263-F265 PolarHBondContact O-N 3.23Å; F265-V267 PolarHBondContact O-N 2.99Å; F265-D269 HydrophobicContact CD2-CB 3.72Å; F265-D269 WeakPolarHBondContact CD2-OD2 3.31Å; F265-D269 HydrophobicContact CE2-CB 3.97Å; F265-D269 VanDerWaalsContact O-CB 3.32Å; F265-D269 WeakPolarHBondContact O-CB 3.24Å; F265-D269 PolarHBondContact O-N 3.47Å; F265-D269 VanDerWaalsContact O-N 3.13Å; F265-L270 HydrophobicContact CD1-CD1 4.35Å; F265-L270 HydrophobicContact CE1-CD1 3.68Å; F265-L270 HydrophobicContact CE1-CG 4.24Å; F265-L270 HydrophobicContact CE2-CD1 4.41Å; F265-L270 HydrophobicContact CE2-CD2 4.16Å; F265-L270 HydrophobicContact CE2-CG 4.14Å; F265-L270 HydrophobicContact CZ-CD1 3.72Å; F265-L270 HydrophobicContact CZ-CD2 4.04Å; F265-L270 HydrophobicContact CZ-CG 3.94Å; F265-L270 PolarHBondContact O-N 2.98Å; F265-L270 VanDerWaalsContact O-N 3.17Å
266L98.3Very high97.9Very high0 Ų048.3 Ų48.30%026%0.258CS..Iπ-helixtrans-62.1-44.1179.7-71169.3000112.6F217 V221 P250 V254 A262 L263 R264 L270 V271 V272F217-L266 HydrophobicContact CE1-CD2 3.68Å; F217-L266 HydrophobicContact CZ-CD2 3.67Å; V221-L266 HydrophobicContact CG1-CD2 4.47Å; P250-L266 HydrophobicContact CB-CD1 3.85Å; P250-L266 HydrophobicContact CB-CD2 3.88Å; V254-L266 HydrophobicContact CG1-CD1 3.81Å; V254-L266 HydrophobicContact CG2-CD1 3.86Å; A262-L266 VanDerWaalsContact O-CG 3.24Å; A262-L266 WeakPolarHBondContact O-CG 3.49Å; A262-L266 PolarHBondContact O-N 3.17Å; L263-L266 PolarHBondContact O-N 2.83Å; R264-L266 PolarHBondContact O-N 3.03Å; L266-L270 HydrophobicContact CD2-CD1 4.26Å; L266-L270 CarbonylContact O-C 3.47Å; L266-L270 WeakPolarHBondContact O-CB 3.29Å; L266-V271 PolarHBondContact O-N 3.45Å; L266-V272 HydrophobicContact CB-CB 4.39Å; L266-V272 HydrophobicContact CB-CG2 4.38Å; L266-V272 HydrophobicContact CD2-CG2 4.43Å; L266-V272 VanDerWaalsContact O-CB 3.31Å; L266-V272 WeakPolarHBondContact O-CB 3.43Å; L266-V272 WeakPolarHBondContact O-CG2 3.33Å; L266-V272 PolarHBondContact O-N 2.94Å
267V98.2Very high97.9Very high21 Ų2150.9 Ų50.913%0.12726%0.263CS..Iπ-helixtrans-85.8-42.6-172.8-177.80000112.4L263 R264 F265 V271 V274 L304L263-V267 HydrophobicContact CD1-CG2 3.98Å; L263-V267 WeakPolarHBondContact O-CG2 3.3Å; L263-V267 PolarHBondContact O-N 3.13Å; R264-V267 PolarHBondContact O-N 3.2Å; F265-V267 PolarHBondContact O-N 2.99Å; V267-V271 VanDerWaalsContact O-CA 3.28Å; V267-V271 WeakPolarHBondContact O-CA 3.36Å; V267-V271 PolarHBondContact O-N 3.46Å; V267-V274 HydrophobicContact CG2-CB 4.23Å; V267-V274 HydrophobicContact CG2-CG2 4.42Å; V267-L304 HydrophobicContact CB-CD1 4.03Å; V267-L304 HydrophobicContact CG1-CB 4.12Å; V267-L304 HydrophobicContact CG1-CD1 4.34Å; V267-L304 HydrophobicContact CG1-CD2 4.31Å; V267-L304 HydrophobicContact CG2-CD1 4.14Å
268L97.9Very high97.8Very high105 Ų10548.7 Ų48.755%0.5525%0.25SS..Iπ-helixtrans-84-47.3-175.4-61.3177.2000112.2R264 L304R264-L268 HydrophobicContact CB-CD1 4.23Å; R264-L268 HydrophobicContact CG-CD1 4.46Å; R264-L268 VanDerWaalsContact O-CB 3.24Å; R264-L268 WeakPolarHBondContact O-CB 3.49Å; R264-L268 PolarHBondContact O-N 3.35Å; L268-L304 HydrophobicContact CD1-CD2 4.14Å; L268-L304 HydrophobicContact CD2-CD2 3.5Å; L268-L304 VanDerWaalsContact CD2-CD2 3.5Å; L268-L304 HydrophobicContact CG-CD2 3.76Å
269D97.2Very high97.6Very high83 Ų8349.1 Ų49.144%0.44425%0.247SC..Iπ-helixtrans-84.7-39.6-175-62.313.2000110.8R230 F265R230-D269 IonicContact CZ-OD2 2.79Å; R230-D269 IonicContact NH1-OD2 3.65Å; R230-D269 PolarHBondContact NH1-OD2 3.06Å; R230-D269 IonicContact NH2-OD2 3.1Å; R230-D269 PolarHBondContact NH2-OD2 3.25Å; F265-D269 HydrophobicContact CD2-CB 3.72Å; F265-D269 WeakPolarHBondContact CD2-OD2 3.31Å; F265-D269 HydrophobicContact CE2-CB 3.97Å; F265-D269 VanDerWaalsContact O-CB 3.32Å; F265-D269 WeakPolarHBondContact O-CB 3.24Å; F265-D269 PolarHBondContact O-N 3.47Å; F265-D269 VanDerWaalsContact O-N 3.13Å
270L97.2Very high97.4Very high41 Ų4153.1 Ų53.122%0.21527%0.271CS..SBendtrans-102.8-2-175.4-52.1-172.9000114.4F217 I233 P240 F265 L266 V272F217-L270 HydrophobicContact CE2-CD1 4.36Å; F217-L270 HydrophobicContact CZ-CD1 3.83Å; I233-L270 HydrophobicContact CD1-CD1 4.36Å; I233-L270 HydrophobicContact CG1-CD1 4.08Å; I233-L270 HydrophobicContact CG2-CD2 4.1Å; P240-L270 HydrophobicContact CB-CB 4.38Å; P240-L270 HydrophobicContact CB-CD1 3.6Å; P240-L270 HydrophobicContact CG-CD1 4.32Å; F265-L270 HydrophobicContact CD1-CD1 4.35Å; F265-L270 HydrophobicContact CE1-CD1 3.68Å; F265-L270 HydrophobicContact CE1-CG 4.24Å; F265-L270 HydrophobicContact CE2-CD1 4.41Å; F265-L270 HydrophobicContact CE2-CD2 4.16Å; F265-L270 HydrophobicContact CE2-CG 4.14Å; F265-L270 HydrophobicContact CZ-CD1 3.72Å; F265-L270 HydrophobicContact CZ-CD2 4.04Å; F265-L270 HydrophobicContact CZ-CG 3.94Å; F265-L270 PolarHBondContact O-N 2.98Å; F265-L270 VanDerWaalsContact O-N 3.17Å; L266-L270 HydrophobicContact CD2-CD1 4.26Å; L266-L270 CarbonylContact O-C 3.47Å; L266-L270 WeakPolarHBondContact O-CB 3.29Å; L270-V272 HydrophobicContact CB-CG2 4.21Å; L270-V272 PolarHBondContact O-N 3.43Å
271V97.2Very high97.2Very high125 Ų12553.2 Ų53.276%0.75827%0.272SS*.  trans56.535.8175.6-157.20000112.6L266 V267L266-V271 PolarHBondContact O-N 3.45Å; V267-V271 VanDerWaalsContact O-CA 3.28Å; V267-V271 WeakPolarHBondContact O-CA 3.36Å; V267-V271 PolarHBondContact O-N 3.46Å
272V97.8Very high97.2Very high5 Ų551.7 Ų51.73%0.0327%0.265CS..  trans-72.9132.7175175.90000109.9P240 V241 V251 L266 L270 V274P240-V272 HydrophobicContact CB-CG2 4.15Å; V241-V272 HydrophobicContact CG1-CG1 4.21Å; V241-V272 HydrophobicContact CG1-CG2 3.93Å; V251-V272 HydrophobicContact CB-CG1 4.06Å; V251-V272 HydrophobicContact CG1-CG1 4.22Å; L266-V272 HydrophobicContact CB-CB 4.39Å; L266-V272 HydrophobicContact CB-CG2 4.38Å; L266-V272 HydrophobicContact CD2-CG2 4.43Å; L266-V272 VanDerWaalsContact O-CB 3.31Å; L266-V272 WeakPolarHBondContact O-CB 3.43Å; L266-V272 WeakPolarHBondContact O-CG2 3.33Å; L266-V272 PolarHBondContact O-N 2.94Å; L270-V272 HydrophobicContact CB-CG2 4.21Å; L270-V272 PolarHBondContact O-N 3.43Å; V272-V274 PolarHBondContact O-N 3.44Å
273D98Very high97.2Very high88 Ų8852.3 Ų52.347%0.47127%0.268SS..  trans-65.9115.8176.6-178.19.8000111.3N275 Q276D273-N275 PolarHBondContact O-N 3.39Å; D273-N275 WeakPolarHBondContact OD1-CB 3.28Å; D273-N275 PolarHBondContact OD1-N 2.87Å; D273-Q276 PolarHBondContact O-N 3.19Å
274V97.4Very high97.1Very high8 Ų852.4 Ų52.45%0.04827%0.269CS..THydrogen-bonded Turntrans-67.4-21.3178.871.90000113.1V267 V272 L301 A306V267-V274 HydrophobicContact CG2-CB 4.23Å; V267-V274 HydrophobicContact CG2-CG2 4.42Å; V272-V274 PolarHBondContact O-N 3.44Å; V274-L301 HydrophobicContact CG2-CD2 3.27Å; V274-L301 HydrophobicContact CG2-CG 4.48Å; V274-A306 HydrophobicContact CG1-CB 4.18Å; V274-A306 HydrophobicContact CG2-CB 4.03Å
275N98Very high97.1Very high51 Ų5149.5 Ų49.527%0.27326%0.258SS..THydrogen-bonded Turntrans-94.97.5-177.6-68-58.4000113.8D273 R277 G305 A306 D307D273-N275 PolarHBondContact O-N 3.39Å; D273-N275 WeakPolarHBondContact OD1-CB 3.28Å; D273-N275 PolarHBondContact OD1-N 2.87Å; N275-R277 PolarHBondContact O-N 3.31Å; N275-G305 PolarHBondContact ND2-O 3.32Å; N275-A306 WeakPolarHBondContact OD1-CA 3.47Å; N275-D307 PolarHBondContact OD1-N 2.78Å
276Q97.7Very high97.2Very high71 Ų7149.3 Ų49.333%0.33226%0.257SS..  trans-53.8143.3175.5-172.860.349.500110.7H252 D273 T284H252-Q276 PolarHBondContact NE2-O 2.94Å; D273-Q276 PolarHBondContact O-N 3.19Å; Q276-T284 WeakPolarHBondContact O-CA 3.28Å
277R97.4Very high97.2Very high92 Ų9249.4 Ų49.435%0.34726%0.258SS..  trans-104.2126.8177.8-70.4170.4173.8-101.3-12.6109.4N275 Q282 L283 T284 R311N275-R277 PolarHBondContact O-N 3.31Å; R277-Q282 HydrophobicContact CB-CB 4.2Å; R277-Q282 HydrophobicContact CG-CB 4.28Å; R277-L283 WeakPolarHBondContact CA-O 3.33Å; R277-T284 HydrophobicContact CG-CG2 4.07Å; R277-R311 PolarHBondContact NH1-O 3.43Å; R277-R311 PolarHBondContact NH2-O 2.97Å
278A95.8Very high97.2Very high1 Ų150.1 Ų50.11%0.00826%0.258CS..BIsolated β-bridgetrans-101.6157.8171.700000111.2G247 A248 H252 Q282 L283 Y288G247-A278 WeakPolarHBondContact O-CB 3.45Å; A248-A278 HydrophobicContact CB-CB 3.96Å; H252-A278 PolarHBondContact NE2-N 3.2Å; A278-Q282 CarbonylContact O-C 3.42Å; A278-Q282 VanDerWaalsContact O-CA 3.29Å; A278-Q282 WeakPolarHBondContact O-CA 3.36Å; A278-Q282 PolarHBondContact O-N 2.82Å; A278-L283 PolarHBondContact N-O 3.06Å; A278-L283 PolarHBondContact O-N 2.95Å; A278-Y288 HydrophobicContact CB-CE2 4.34Å
279T94.2Very high97.2Very high37 Ų3745.1 Ų45.123%0.22723%0.232CC..THydrogen-bonded Turntrans61.5167.3174.279.10000115.1L246 I281 Q282 Y288L246-T279 HydrophobicContact CB-CG2 4.09Å; L246-T279 WeakPolarHBondContact O-CA 3.32Å; L246-T279 WeakPolarHBondContact O-CG2 3.31Å; L246-T279 PolarHBondContact O-N 2.84Å; T279-I281 PolarHBondContact O-N 3.45Å; T279-I281 VanDerWaalsContact O-N 3.15Å; T279-I281 WeakPolarHBondContact OG1-CG1 3.36Å; T279-I281 PolarHBondContact OG1-N 3.08Å; T279-Q282 PolarHBondContact O-N 3.46Å; T279-Y288 WeakPolarHBondContact CG2-OH 3.49Å
280D92.9Very high97.3Very high145 Ų14541.1 Ų41.178%0.77521%0.211SC*.THydrogen-bonded Turntrans-64-17.9174.3-68.4-28.1000113.7K313D280-K313 WeakPolarHBondContact O-CD 3.46Å
281I94.6Very high97.4Very high59 Ų5943.4 Ų43.430%0.30322%0.219SC..THydrogen-bonded Turntrans-90-0.9176.356.2165.7000112.8T279 L283 D312 K313T279-I281 PolarHBondContact O-N 3.45Å; T279-I281 VanDerWaalsContact O-N 3.15Å; T279-I281 WeakPolarHBondContact OG1-CG1 3.36Å; T279-I281 PolarHBondContact OG1-N 3.08Å; I281-L283 HydrophobicContact CD1-CD1 3.42Å; I281-L283 VanDerWaalsContact CD1-CD1 3.42Å; I281-L283 HydrophobicContact CD1-CD2 4.13Å; I281-L283 HydrophobicContact CD1-CG 3.61Å; I281-L283 HydrophobicContact CG1-CD1 4.1Å; I281-L283 HydrophobicContact CG1-CG 3.86Å; I281-D312 WeakPolarHBondContact O-CB 3.4Å; I281-K313 WeakPolarHBondContact O-CB 3.3Å; I281-K313 PolarHBondContact O-N 2.93Å
282Q96.9Very high97.4Very high85 Ų8541 Ų4140%0.39720%0.2SC..THydrogen-bonded Turntrans58.247.9174.3-57.8-171.87.300114.5R277 A278 T279R277-Q282 HydrophobicContact CB-CB 4.2Å; R277-Q282 HydrophobicContact CG-CB 4.28Å; A278-Q282 CarbonylContact O-C 3.42Å; A278-Q282 VanDerWaalsContact O-CA 3.29Å; A278-Q282 WeakPolarHBondContact O-CA 3.36Å; A278-Q282 PolarHBondContact O-N 2.82Å; T279-Q282 PolarHBondContact O-N 3.46Å
283L98Very high97.4Very high13 Ų1341.6 Ų41.67%0.06821%0.207CC..BIsolated β-bridgetrans-78.2138.9174.9-65.7175.3000110.7H252 R277 A278 I281 H287 Y288 D312 M321H252-L283 PolarHBondContact NE2-O 3.32Å; R277-L283 WeakPolarHBondContact CA-O 3.33Å; A278-L283 PolarHBondContact N-O 3.06Å; A278-L283 PolarHBondContact O-N 2.95Å; I281-L283 HydrophobicContact CD1-CD1 3.42Å; I281-L283 VanDerWaalsContact CD1-CD1 3.42Å; I281-L283 HydrophobicContact CD1-CD2 4.13Å; I281-L283 HydrophobicContact CD1-CG 3.61Å; I281-L283 HydrophobicContact CG1-CD1 4.1Å; I281-L283 HydrophobicContact CG1-CG 3.86Å; L283-H287 HydrophobicContact CB-CB 4.2Å; L283-H287 HydrophobicContact CD2-CB 3.78Å; L283-Y288 HydrophobicContact CB-CD2 4.25Å; L283-Y288 HydrophobicContact CB-CE2 3.64Å; L283-Y288 HydrophobicContact CD1-CE1 4.02Å; L283-Y288 HydrophobicContact CD1-CE2 4.17Å; L283-D312 HydrophobicContact CD2-CB 3.89Å; L283-M321 HydrophobicContact CD2-SD 4.39Å
284T98.4Very high97.4Very high3 Ų340.2 Ų40.22%0.01820%0.197CC..  trans-95.6168.7170.367.30000111.1Q276 R277 L286 H287 Y288 A310Q276-T284 WeakPolarHBondContact O-CA 3.28Å; R277-T284 HydrophobicContact CG-CG2 4.07Å; T284-L286 PolarHBondContact O-N 3.03Å; T284-H287 PolarHBondContact N-ND1 3.31Å; T284-H287 WeakPolarHBondContact O-CB 3.38Å; T284-H287 PolarHBondContact O-N 3.41Å; T284-H287 PolarHBondContact OG1-ND1 3.27Å; T284-Y288 WeakPolarHBondContact O-CD2 3.42Å; T284-Y288 PolarHBondContact O-N 3.28Å; T284-A310 HydrophobicContact CG2-CB 4.25Å
285A98.5Very high97.5Very high0 Ų041.9 Ų41.90%021%0.208CC..Hα-helixtrans-53-37.2173.300000112.7V251 A255 H287 Y288 A289 L301V251-A285 HydrophobicContact CG2-CB 4.12Å; A255-A285 HydrophobicContact CB-CB 3.92Å; A255-A285 WeakPolarHBondContact CB-O 3.24Å; A285-H287 VanDerWaalsContact C-N 3.33Å; A285-H287 PolarHBondContact O-N 3.31Å; A285-Y288 PolarHBondContact O-N 2.98Å; A285-A289 PolarHBondContact O-N 2.91Å; A285-L301 HydrophobicContact CB-CD1 4.14Å; A285-L301 HydrophobicContact CB-CD2 3.85Å
286L98.7Very high97.5Very high2 Ų241.6 Ų41.61%0.0121%0.212CC..Hα-helixtrans-63.6-36.8177.5-173.663.9000112.6T284 A290 I298 L301 V302 L308 A318T284-L286 PolarHBondContact O-N 3.03Å; L286-A290 VanDerWaalsContact O-CB 3.24Å; L286-A290 WeakPolarHBondContact O-CB 3.35Å; L286-A290 PolarHBondContact O-N 2.88Å; L286-I298 HydrophobicContact CD1-CB 4.38Å; L286-I298 HydrophobicContact CD1-CG1 4.39Å; L286-I298 HydrophobicContact CD1-CG2 4Å; L286-L301 HydrophobicContact CB-CD1 4.17Å; L286-L301 HydrophobicContact CD1-CB 4.32Å; L286-L301 HydrophobicContact CD1-CD1 4.13Å; L286-V302 HydrophobicContact CD1-CG2 4.42Å; L286-L308 HydrophobicContact CD2-CD1 4.29Å; L286-A318 HydrophobicContact CD2-CB 4Å; L286-A318 HydrophobicContact CG-CB 3.77Å
287H98.7Very high97.5Very high3 Ų338.3 Ų38.31%0.01420%0.197CC..Hα-helixtrans-64.2-43174.9-70.290000111.8L283 T284 A285 K291 A310 R316 M321L283-H287 HydrophobicContact CB-CB 4.2Å; L283-H287 HydrophobicContact CD2-CB 3.78Å; T284-H287 PolarHBondContact N-ND1 3.31Å; T284-H287 WeakPolarHBondContact O-CB 3.38Å; T284-H287 PolarHBondContact O-N 3.41Å; T284-H287 PolarHBondContact OG1-ND1 3.27Å; A285-H287 VanDerWaalsContact C-N 3.33Å; A285-H287 PolarHBondContact O-N 3.31Å; H287-K291 WeakPolarHBondContact O-CB 3.48Å; H287-K291 PolarHBondContact O-N 2.93Å; H287-A310 PolarHBondContact CE1-O 3.13Å; H287-A310 VanDerWaalsContact CE1-O 3.28Å; H287-A310 PolarHBondContact NE2-O 2.99Å; H287-R316 PolarHBondContact NE2-O 3.22Å; H287-M321 HydrophobicContact CB-CG 3.91Å; H287-M321 WeakPolarHBondContact O-CB 3.38Å
288Y98.5Very high97.6Very high35 Ų3533.9 Ų33.914%0.13718%0.18CC..Hα-helixtrans-65.3-49177.1-74.5-74.4000111.8H252 V256 A278 T279 L283 T284 A285 A290 K291 E292H252-Y288 HydrophobicContact CB-CD2 4.06Å; H252-Y288 HydrophobicContact CB-CE2 4.05Å; H252-Y288 AromaticContact CD2-CD2 3.93Å; H252-Y288 AromaticContact CD2-CE2 3.76Å; V256-Y288 HydrophobicContact CG2-CD1 3.47Å; V256-Y288 VanDerWaalsContact CG2-CD1 3.47Å; V256-Y288 HydrophobicContact CG2-CE1 4.23Å; V256-Y288 HydrophobicContact CG2-CG 3.78Å; A278-Y288 HydrophobicContact CB-CE2 4.34Å; T279-Y288 WeakPolarHBondContact CG2-OH 3.49Å; L283-Y288 HydrophobicContact CB-CD2 4.25Å; L283-Y288 HydrophobicContact CB-CE2 3.64Å; L283-Y288 HydrophobicContact CD1-CE1 4.02Å; L283-Y288 HydrophobicContact CD1-CE2 4.17Å; T284-Y288 WeakPolarHBondContact O-CD2 3.42Å; T284-Y288 PolarHBondContact O-N 3.28Å; A285-Y288 PolarHBondContact O-N 2.98Å; Y288-A290 VanDerWaalsContact C-N 3.28Å; Y288-A290 PolarHBondContact O-N 3.41Å; Y288-K291 PolarHBondContact O-N 3.3Å; Y288-K291 VanDerWaalsContact O-N 3.13Å; Y288-E292 WeakPolarHBondContact O-CG 3.43Å; Y288-E292 PolarHBondContact O-N 2.87Å
289A98.7Very high97.7Very high0 Ų038.6 Ų38.60%020%0.2CC..Hα-helixtrans-57.8-41.6178.200000112.2A255 A285 G293 H294 I297 I298 L301A255-A289 HydrophobicContact CB-CB 4.28Å; A285-A289 PolarHBondContact O-N 2.91Å; A289-G293 PolarHBondContact O-N 3.11Å; A289-H294 PolarHBondContact O-N 3.32Å; A289-I297 HydrophobicContact CB-CB 4.07Å; A289-I297 HydrophobicContact CB-CG2 3.48Å; A289-I297 VanDerWaalsContact CB-CG2 3.48Å; A289-I298 HydrophobicContact CB-CG1 3.91Å; A289-L301 HydrophobicContact CB-CD1 3.88Å
290A98.7Very high97.9Very high0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-65.7-44.3175.800000112.4L286 Y288 E292 G293 I298 A318 M321 A322 L334L286-A290 VanDerWaalsContact O-CB 3.24Å; L286-A290 WeakPolarHBondContact O-CB 3.35Å; L286-A290 PolarHBondContact O-N 2.88Å; Y288-A290 VanDerWaalsContact C-N 3.28Å; Y288-A290 PolarHBondContact O-N 3.41Å; A290-E292 VanDerWaalsContact C-N 3.32Å; A290-E292 PolarHBondContact O-N 3.41Å; A290-G293 PolarHBondContact O-N 3.42Å; A290-I298 HydrophobicContact CB-CD1 4.28Å; A290-A318 HydrophobicContact CB-CB 3.94Å; A290-A318 WeakPolarHBondContact CB-O 3.39Å; A290-M321 HydrophobicContact CB-CB 4.03Å; A290-A322 HydrophobicContact CB-CB 4.19Å; A290-A322 VanDerWaalsContact O-CA 3.26Å; A290-A322 WeakPolarHBondContact O-CA 3.42Å; A290-L334 HydrophobicContact CB-CD1 3.96Å
291K98.4Very high98.2Very high88 Ų8830 Ų3038%0.38315%0.153SC..Hα-helixtrans-62.1-38.1178.9-168.8-175.4168.1-151.30112.9H287 Y288 M321 H327H287-K291 WeakPolarHBondContact O-CB 3.48Å; H287-K291 PolarHBondContact O-N 2.93Å; Y288-K291 PolarHBondContact O-N 3.3Å; Y288-K291 VanDerWaalsContact O-N 3.13Å; K291-M321 HydrophobicContact CB-CB 4.03Å; K291-H327 PolarHBondContact O-CD2 2.79Å; K291-H327 PolarHBondContact O-NE2 3.33Å; K291-H327 VanDerWaalsContact O-NE2 3.09Å
292E98.4Very high98.4Very high76 Ų7629.2 Ų29.236%0.35515%0.151SC..Hα-helixtrans-88.5-8179.6-58.1-55.9135.200113V256 Y288 A290 H327V256-E292 HydrophobicContact CG1-CG 4.33Å; Y288-E292 WeakPolarHBondContact O-CG 3.43Å; Y288-E292 PolarHBondContact O-N 2.87Å; A290-E292 VanDerWaalsContact C-N 3.32Å; A290-E292 PolarHBondContact O-N 3.41Å; E292-H327 PolarHBondContact O-CE1 3.09Å; E292-H327 PolarHBondContact O-NE2 3.28Å
293G98.1Very high98.4Very high17 Ų1731.8 Ų31.818%0.17516%0.163CC..THydrogen-bonded Turntrans81.618.2174.300000115.6A289 A290 T295 H327A289-G293 PolarHBondContact O-N 3.11Å; A290-G293 PolarHBondContact O-N 3.42Å; G293-T295 PolarHBondContact O-N 2.82Å; G293-H327 PolarHBondContact N-CD2 3.05Å
294H98.3Very high98.4Very high58 Ų5832.8 Ų32.827%0.26917%0.168SC..  trans-79.682.2-176.2-64.2-44.5000111.7A255 V256 A289 A296 I297 I298A255-H294 PolarHBondContact O-CD2 3.43Å; A255-H294 VanDerWaalsContact O-CD2 3.3Å; V256-H294 PolarHBondContact O-CD2 3.08Å; V256-H294 PolarHBondContact O-NE2 3.27Å; A289-H294 PolarHBondContact O-N 3.32Å; H294-A296 VanDerWaalsContact C-N 3.32Å; H294-A296 PolarHBondContact O-N 3.35Å; H294-I297 HydrophobicContact CB-CB 3.9Å; H294-I297 HydrophobicContact CB-CG1 3.83Å; H294-I297 WeakPolarHBondContact O-CB 3.4Å; H294-I297 PolarHBondContact O-N 3.06Å; H294-I297 VanDerWaalsContact O-N 3.13Å; H294-I298 WeakPolarHBondContact O-CG1 3.41Å; H294-I298 PolarHBondContact O-N 3.35Å
295T98.1Very high98.4Very high44 Ų4434.9 Ų34.927%0.2719%0.191SC..Hα-helixtrans-59.8-36.3-17459.10000114.3G293 I298 K299 E329 A330G293-T295 PolarHBondContact O-N 2.82Å; T295-I298 PolarHBondContact O-N 2.6Å; T295-K299 WeakPolarHBondContact O-CG 3.37Å; T295-K299 PolarHBondContact O-N 3.47Å; T295-K299 VanDerWaalsContact O-N 3.1Å; T295-E329 HydrophobicContact CG2-CB 3.84Å; T295-A330 HydrophobicContact CG2-CB 4.28Å
296A98Very high98.4Very high44 Ų4435.4 Ų35.436%0.36420%0.195SC..Hα-helixtrans-66-40.4176.800000111.8E260 H294 K299 T300E260-A296 WeakPolarHBondContact OE2-CB 3.4Å; H294-A296 VanDerWaalsContact C-N 3.32Å; H294-A296 PolarHBondContact O-N 3.35Å; A296-K299 PolarHBondContact O-N 2.88Å; A296-T300 WeakPolarHBondContact O-CB 3.35Å; A296-T300 PolarHBondContact O-N 3.43Å; A296-T300 PolarHBondContact O-OG1 3.45Å
297I98.6Very high98.4Very high2 Ų238.9 Ų38.91%0.0121%0.213CC..Hα-helixtrans-64.6-43.6172.8-62.1-58.7000111.1A255 E260 L263 A289 H294 K299 T300 L301A255-I297 HydrophobicContact CB-CG2 4.17Å; E260-I297 VanDerWaalsContact CA-CD1 3.4Å; E260-I297 HydrophobicContact CB-CD1 3.75Å; E260-I297 HydrophobicContact CG-CD1 4.18Å; L263-I297 HydrophobicContact CD2-CD1 4.29Å; L263-I297 HydrophobicContact CD2-CG2 4.04Å; A289-I297 HydrophobicContact CB-CB 4.07Å; A289-I297 HydrophobicContact CB-CG2 3.48Å; A289-I297 VanDerWaalsContact CB-CG2 3.48Å; H294-I297 HydrophobicContact CB-CB 3.9Å; H294-I297 HydrophobicContact CB-CG1 3.83Å; H294-I297 WeakPolarHBondContact O-CB 3.4Å; H294-I297 PolarHBondContact O-N 3.06Å; H294-I297 VanDerWaalsContact O-N 3.13Å; I297-K299 VanDerWaalsContact C-N 3.33Å; I297-K299 PolarHBondContact O-N 2.82Å; I297-T300 PolarHBondContact O-N 3.17Å; I297-L301 HydrophobicContact CG2-CD1 3.65Å; I297-L301 HydrophobicContact CG2-CG 3.93Å; I297-L301 WeakPolarHBondContact O-CB 3.23Å; I297-L301 WeakPolarHBondContact O-CG 3.24Å; I297-L301 PolarHBondContact O-N 2.81Å
298I98.8Very high98.4Very high0 Ų039.7 Ų39.70%022%0.218CC..Hα-helixtrans-55.8-49.3177.8-68.3169.1000110.7L286 A289 A290 H294 T295 L301 V302 A330 T333 L334 L337L286-I298 HydrophobicContact CD1-CB 4.38Å; L286-I298 HydrophobicContact CD1-CG1 4.39Å; L286-I298 HydrophobicContact CD1-CG2 4Å; A289-I298 HydrophobicContact CB-CG1 3.91Å; A290-I298 HydrophobicContact CB-CD1 4.28Å; H294-I298 WeakPolarHBondContact O-CG1 3.41Å; H294-I298 PolarHBondContact O-N 3.35Å; T295-I298 PolarHBondContact O-N 2.6Å; I298-L301 PolarHBondContact O-N 3.05Å; I298-V302 WeakPolarHBondContact O-CG2 3.38Å; I298-V302 PolarHBondContact O-N 2.95Å; I298-A330 HydrophobicContact CD1-CB 3.73Å; I298-T333 HydrophobicContact CG2-CG2 4.04Å; I298-L334 HydrophobicContact CD1-CG 4.42Å; I298-L334 HydrophobicContact CG2-CD2 3.61Å; I298-L334 HydrophobicContact CG2-CG 4.13Å; I298-L337 HydrophobicContact CG2-CD1 3.86Å
299K98.6Very high98.3Very high100 Ų10043.4 Ų43.444%0.43524%0.236SC..Hα-helixtrans-61.4-49.6178.1-68.4174.4-177.4-178.70111.2T295 A296 I297 L301 V302 E303 T333T295-K299 WeakPolarHBondContact O-CG 3.37Å; T295-K299 PolarHBondContact O-N 3.47Å; T295-K299 VanDerWaalsContact O-N 3.1Å; A296-K299 PolarHBondContact O-N 2.88Å; I297-K299 VanDerWaalsContact C-N 3.33Å; I297-K299 PolarHBondContact O-N 2.82Å; K299-L301 PolarHBondContact O-N 2.86Å; K299-V302 PolarHBondContact O-N 3.26Å; K299-E303 WeakPolarHBondContact O-CG 3.13Å; K299-E303 PolarHBondContact O-N 3.33Å; K299-T333 HydrophobicContact CD-CG2 4.41Å; K299-T333 HydrophobicContact CG-CG2 3.83Å
300T98.6Very high98.3Very high2 Ų243.6 Ų43.61%0.01224%0.238CC..Hα-helixtrans-60.8-42.1-179.9-57.70000111.9E260 L263 R264 A296 I297 V302 E303 L304E260-T300 HydrophobicContact CG-CG2 4.18Å; E260-T300 WeakPolarHBondContact CG-OG1 3.46Å; E260-T300 PolarHBondContact OE1-OG1 3.34Å; E260-T300 VanDerWaalsContact OE1-OG1 3.13Å; L263-T300 HydrophobicContact CD2-CG2 3.89Å; R264-T300 HydrophobicContact CG-CG2 4.03Å; R264-T300 PolarHBondContact NH2-OG1 3.25Å; A296-T300 WeakPolarHBondContact O-CB 3.35Å; A296-T300 PolarHBondContact O-N 3.43Å; A296-T300 PolarHBondContact O-OG1 3.45Å; I297-T300 PolarHBondContact O-N 3.17Å; T300-V302 VanDerWaalsContact C-N 3.35Å; T300-V302 PolarHBondContact O-N 3.44Å; T300-E303 PolarHBondContact O-N 2.89Å; T300-L304 HydrophobicContact CG2-CD1 3.69Å; T300-L304 HydrophobicContact CG2-CG 4.23Å; T300-L304 VanDerWaalsContact O-CB 3.29Å; T300-L304 WeakPolarHBondContact O-CB 3.29Å; T300-L304 WeakPolarHBondContact O-CG 3.11Å; T300-L304 PolarHBondContact O-N 3.39Å
301L98.6Very high98.2Very high0 Ų048.2 Ų48.20%026%0.255CS..Hα-helixtrans-59.4-45.3176.1-75.4171.2000111.4L263 V274 A285 L286 A289 I297 I298 K299 L304 G305 A306L263-L301 HydrophobicContact CD1-CD2 3.66Å; L263-L301 HydrophobicContact CD2-CD2 3.56Å; L263-L301 HydrophobicContact CD2-CG 3.68Å; L263-L301 HydrophobicContact CG-CD2 4.22Å; V274-L301 HydrophobicContact CG2-CD2 3.27Å; V274-L301 HydrophobicContact CG2-CG 4.48Å; A285-L301 HydrophobicContact CB-CD1 4.14Å; A285-L301 HydrophobicContact CB-CD2 3.85Å; L286-L301 HydrophobicContact CB-CD1 4.17Å; L286-L301 HydrophobicContact CD1-CB 4.32Å; L286-L301 HydrophobicContact CD1-CD1 4.13Å; A289-L301 HydrophobicContact CB-CD1 3.88Å; I297-L301 HydrophobicContact CG2-CD1 3.65Å; I297-L301 HydrophobicContact CG2-CG 3.93Å; I297-L301 WeakPolarHBondContact O-CB 3.23Å; I297-L301 WeakPolarHBondContact O-CG 3.24Å; I297-L301 PolarHBondContact O-N 2.81Å; I298-L301 PolarHBondContact O-N 3.05Å; K299-L301 PolarHBondContact O-N 2.86Å; L301-L304 CarbonylContact O-C 3.59Å; L301-L304 PolarHBondContact O-N 3.24Å; L301-G305 PolarHBondContact O-N 3.23Å; L301-A306 HydrophobicContact CB-CB 3.88Å; L301-A306 WeakPolarHBondContact O-CB 3.5Å; L301-A306 PolarHBondContact O-N 2.81Å
302V98.4Very high98.2Very high41 Ų4144.3 Ų44.325%0.24824%0.239CC..Hα-helixtrans-67.1-41.9178.3174.40000111.3L286 I298 K299 T300 L304 G305 L308 L337L286-V302 HydrophobicContact CD1-CG2 4.42Å; I298-V302 WeakPolarHBondContact O-CG2 3.38Å; I298-V302 PolarHBondContact O-N 2.95Å; K299-V302 PolarHBondContact O-N 3.26Å; T300-V302 VanDerWaalsContact C-N 3.35Å; T300-V302 PolarHBondContact O-N 3.44Å; V302-L304 PolarHBondContact O-N 3.21Å; V302-G305 PolarHBondContact O-N 3.21Å; V302-L308 HydrophobicContact CG2-CD1 4.16Å; V302-L337 HydrophobicContact CG2-CD1 4.18Å
303E98.4Very high98.2Very high139 Ų13947.7 Ų47.765%0.6525%0.252SS*.Hα-helixtrans-57.7-35.6172.3-72.3166.9-170.400112.2R264 K299 T300 G305R264-E303 IonicContact NH2-OE2 2.68Å; K299-E303 WeakPolarHBondContact O-CG 3.13Å; K299-E303 PolarHBondContact O-N 3.33Å; T300-E303 PolarHBondContact O-N 2.89Å; E303-G305 VanDerWaalsContact C-N 3.28Å; E303-G305 PolarHBondContact O-N 3.12Å
304L98.1Very high98.1Very high34 Ų3452.6 Ų52.618%0.17827%0.269CS..THydrogen-bonded Turntrans-857.3177.9-66.4173.9000113.9L263 V267 L268 T300 L301 V302L263-L304 HydrophobicContact CD2-CD1 4.37Å; L263-L304 HydrophobicContact CG-CD1 4.06Å; V267-L304 HydrophobicContact CB-CD1 4.03Å; V267-L304 HydrophobicContact CG1-CB 4.12Å; V267-L304 HydrophobicContact CG1-CD1 4.34Å; V267-L304 HydrophobicContact CG1-CD2 4.31Å; V267-L304 HydrophobicContact CG2-CD1 4.14Å; L268-L304 HydrophobicContact CD1-CD2 4.14Å; L268-L304 HydrophobicContact CD2-CD2 3.5Å; L268-L304 VanDerWaalsContact CD2-CD2 3.5Å; L268-L304 HydrophobicContact CG-CD2 3.76Å; T300-L304 HydrophobicContact CG2-CD1 3.69Å; T300-L304 HydrophobicContact CG2-CG 4.23Å; T300-L304 VanDerWaalsContact O-CB 3.29Å; T300-L304 WeakPolarHBondContact O-CB 3.29Å; T300-L304 WeakPolarHBondContact O-CG 3.11Å; T300-L304 PolarHBondContact O-N 3.39Å; L301-L304 CarbonylContact O-C 3.59Å; L301-L304 PolarHBondContact O-N 3.24Å; V302-L304 PolarHBondContact O-N 3.21Å
305G97.6Very high98.1Very high48 Ų4850.7 Ų50.750%0.49526%0.264SS..THydrogen-bonded Turntrans91.620.6173.800000115.7N275 L301 V302 E303N275-G305 PolarHBondContact ND2-O 3.32Å; L301-G305 PolarHBondContact O-N 3.23Å; V302-G305 PolarHBondContact O-N 3.21Å; E303-G305 VanDerWaalsContact C-N 3.28Å; E303-G305 PolarHBondContact O-N 3.12Å
306A98.4Very high98.1Very high10 Ų1050.3 Ų50.38%0.08326%0.258CS..  trans-64.8134.7170.100000111.2V274 N275 L301 L308V274-A306 HydrophobicContact CG1-CB 4.18Å; V274-A306 HydrophobicContact CG2-CB 4.03Å; N275-A306 WeakPolarHBondContact OD1-CA 3.47Å; L301-A306 HydrophobicContact CB-CB 3.88Å; L301-A306 WeakPolarHBondContact O-CB 3.5Å; L301-A306 PolarHBondContact O-N 2.81Å; A306-L308 PolarHBondContact O-N 2.98Å
307D98.3Very high98.1Very high76 Ų7648.3 Ų48.341%0.40624%0.241SC..  trans-68.4104.4173.5175.214.6000109.9N275 H309 A310N275-D307 PolarHBondContact OD1-N 2.78Å; D307-H309 PolarHBondContact O-N 3.4Å; D307-H309 WeakPolarHBondContact OD1-CA 3.47Å; D307-H309 PolarHBondContact OD1-N 3.4Å; D307-A310 HydrophobicContact CB-CB 4.13Å; D307-A310 VanDerWaalsContact O-CB 3.24Å; D307-A310 WeakPolarHBondContact O-CB 3.47Å; D307-A310 PolarHBondContact O-N 3.47Å; D307-A310 VanDerWaalsContact O-N 3.12Å; D307-A310 PolarHBondContact OD1-N 3.28Å; D307-A310 WeakPolarHBondContact OD2-CA 3.24Å; D307-A310 PolarHBondContact OD2-N 3.35Å
308L98Very high98.1Very high19 Ų1948.3 Ų48.310%0.09924%0.241CC..THydrogen-bonded Turntrans-58.4-29.4177.6-17763.2000112.4L286 V302 A306 L334 L337 L339L286-L308 HydrophobicContact CD2-CD1 4.29Å; V302-L308 HydrophobicContact CG2-CD1 4.16Å; A306-L308 PolarHBondContact O-N 2.98Å; L308-L334 HydrophobicContact CD1-CD2 3.86Å; L308-L337 HydrophobicContact CD1-CB 4.35Å; L308-L337 HydrophobicContact CD2-CB 4.02Å; L308-L337 WeakPolarHBondContact CD2-O 3.22Å; L308-L339 HydrophobicContact CD1-CB 4.12Å; L308-L339 HydrophobicContact CD1-CD2 4.15Å; L308-L339 HydrophobicContact CD2-CB 4.15Å; L308-L339 HydrophobicContact CG-CB 4.04Å; L308-L339 HydrophobicContact CG-CD1 4.28Å; L308-L339 HydrophobicContact CG-CD2 4.44Å; L308-L339 HydrophobicContact CG-CG 4.49Å; L308-L339 WeakPolarHBondContact O-CD1 3.28Å
309H97.6Very high98.1Very high113 Ų11348.3 Ų48.352%0.52324%0.241SC..THydrogen-bonded Turntrans-95.96.8-177.5-59.5-64.1000113.2D307 R311 L339D307-H309 PolarHBondContact O-N 3.4Å; D307-H309 WeakPolarHBondContact OD1-CA 3.47Å; D307-H309 PolarHBondContact OD1-N 3.4Å; H309-R311 PolarHBondContact O-N 3.13Å; H309-L339 WeakPolarHBondContact ND1-CD1 3.4Å
310A97.9Very high98.1Very high5 Ų543.5 Ų43.54%0.04122%0.221CC..  trans-53.9131.3178.600000110.8T284 H287 D307T284-A310 HydrophobicContact CG2-CB 4.25Å; H287-A310 PolarHBondContact CE1-O 3.13Å; H287-A310 VanDerWaalsContact CE1-O 3.28Å; H287-A310 PolarHBondContact NE2-O 2.99Å; D307-A310 HydrophobicContact CB-CB 4.13Å; D307-A310 VanDerWaalsContact O-CB 3.24Å; D307-A310 WeakPolarHBondContact O-CB 3.47Å; D307-A310 PolarHBondContact O-N 3.47Å; D307-A310 VanDerWaalsContact O-N 3.12Å; D307-A310 PolarHBondContact OD1-N 3.28Å; D307-A310 WeakPolarHBondContact OD2-CA 3.24Å; D307-A310 PolarHBondContact OD2-N 3.35Å
311R98.1Very high98.1Very high96 Ų9643.7 Ų43.736%0.36222%0.221SC..  trans-111.1136.4175.7-67.9-178.4-178.5-99.41.4111.3R277 H309 G315 R316 T317 S342 E343R277-R311 PolarHBondContact NH1-O 3.43Å; R277-R311 PolarHBondContact NH2-O 2.97Å; H309-R311 PolarHBondContact O-N 3.13Å; R311-G315 PolarHBondContact NH1-O 2.9Å; R311-R316 WeakPolarHBondContact CA-O 3.34Å; R311-T317 HydrophobicContact CG-CG2 3.97Å; R311-S342 PolarHBondContact NH2-OG 3Å; R311-E343 PolarHBondContact NH1-O 3.3Å
312D97.5Very high98.1Very high7 Ų743.7 Ų43.74%0.03722%0.221CC..  trans-73179.1170.686.3-7.9000111.5I281 L283 K314 G315 R316I281-D312 WeakPolarHBondContact O-CB 3.4Å; L283-D312 HydrophobicContact CD2-CB 3.89Å; D312-K314 PolarHBondContact O-N 2.98Å; D312-K314 VanDerWaalsContact O-N 3.13Å; D312-K314 VanDerWaalsContact OD1-C 3.32Å; D312-K314 VanDerWaalsContact OD1-CA 3.28Å; D312-K314 WeakPolarHBondContact OD1-CA 3.43Å; D312-K314 WeakPolarHBondContact OD1-CB 3.44Å; D312-K314 PolarHBondContact OD1-N 2.77Å; D312-G315 PolarHBondContact O-N 2.92Å; D312-G315 PolarHBondContact OD1-N 2.86Å; D312-G315 VanDerWaalsContact OD1-N 3.11Å; D312-R316 PolarHBondContact N-O 3.29Å; D312-R316 WeakPolarHBondContact OD1-CB 3.24Å; D312-R316 PolarHBondContact OD1-N 3.35Å; D312-R316 IonicContact OD1-NE 3.2Å; D312-R316 IonicContact OD2-CZ 3.93Å; D312-R316 IonicContact OD2-NE 3.26Å; D312-R316 PolarHBondContact OD2-NE 2.96Å; D312-R316 IonicContact OD2-NH2 3.94Å; D312-R316 PolarHBondContact OD2-NH2 3.1Å
313K97.6Very high98.1Very high146 Ų14641.7 Ų41.764%0.63521%0.209SC*.THydrogen-bonded Turntrans-61.2-22.2-179.5-174.5171.9178.8177.80113.9D280 I281 G315D280-K313 WeakPolarHBondContact O-CD 3.46Å; I281-K313 WeakPolarHBondContact O-CB 3.3Å; I281-K313 PolarHBondContact O-N 2.93Å; K313-G315 VanDerWaalsContact C-N 3.32Å
314K97.1Very high98Very high121 Ų12138.1 Ų38.153%0.52619%0.194SC..THydrogen-bonded Turntrans-92.67.6176.1-63.1-175.6177.4-175.20112D312 R316 G345D312-K314 PolarHBondContact O-N 2.98Å; D312-K314 VanDerWaalsContact O-N 3.13Å; D312-K314 VanDerWaalsContact OD1-C 3.32Å; D312-K314 VanDerWaalsContact OD1-CA 3.28Å; D312-K314 WeakPolarHBondContact OD1-CA 3.43Å; D312-K314 WeakPolarHBondContact OD1-CB 3.44Å; D312-K314 PolarHBondContact OD1-N 2.77Å; K314-R316 VanDerWaalsContact C-N 3.25Å; K314-R316 HydrophobicContact CB-CG 4.08Å; K314-R316 PolarHBondContact O-N 3.14Å; K314-G345 WeakPolarHBondContact O-CA 3.43Å; K314-G345 PolarHBondContact O-N 3.42Å
315G97.7Very high98Very high17 Ų1737.7 Ų37.718%0.17520%0.197CC..SBendtrans76.48.8-178.100000114R311 D312 K313R311-G315 PolarHBondContact NH1-O 2.9Å; D312-G315 PolarHBondContact O-N 2.92Å; D312-G315 PolarHBondContact OD1-N 2.86Å; D312-G315 VanDerWaalsContact OD1-N 3.11Å; K313-G315 VanDerWaalsContact C-N 3.32Å
316R98.3Very high98Very high37 Ų3736.6 Ų36.614%0.1418%0.179CC..  trans-82.6140.6-176.1-58.9176.5-60.9165.34.5110.1H287 R311 D312 K314 H320 M321 D344H287-R316 PolarHBondContact NE2-O 3.22Å; R311-R316 WeakPolarHBondContact CA-O 3.34Å; D312-R316 PolarHBondContact N-O 3.29Å; D312-R316 WeakPolarHBondContact OD1-CB 3.24Å; D312-R316 PolarHBondContact OD1-N 3.35Å; D312-R316 IonicContact OD1-NE 3.2Å; D312-R316 IonicContact OD2-CZ 3.93Å; D312-R316 IonicContact OD2-NE 3.26Å; D312-R316 PolarHBondContact OD2-NE 2.96Å; D312-R316 IonicContact OD2-NH2 3.94Å; D312-R316 PolarHBondContact OD2-NH2 3.1Å; K314-R316 VanDerWaalsContact C-N 3.25Å; K314-R316 HydrophobicContact CB-CG 4.08Å; K314-R316 PolarHBondContact O-N 3.14Å; R316-H320 HydrophobicContact CB-CB 3.89Å; R316-H320 HydrophobicContact CG-CB 4.4Å; R316-M321 HydrophobicContact CB-CE 3.33Å; R316-M321 HydrophobicContact CG-CE 4.06Å; R316-M321 VanDerWaalsContact NE-CE 3.31Å; R316-D344 HydrophobicContact CB-CB 4.49Å; R316-D344 HydrophobicContact CG-CB 3.69Å
317T98.4Very high98Very high2 Ų239.3 Ų39.31%0.01219%0.19CC..  trans-95.1175.7174.564.50000111.6R311 L319 H320 M321R311-T317 HydrophobicContact CG-CG2 3.97Å; T317-L319 PolarHBondContact O-N 3.27Å; T317-L319 PolarHBondContact OG1-N 3.41Å; T317-H320 PolarHBondContact N-ND1 3.21Å; T317-H320 VanDerWaalsContact N-ND1 3.14Å; T317-H320 WeakPolarHBondContact O-CB 3.21Å; T317-H320 PolarHBondContact O-N 3.24Å; T317-H320 VanDerWaalsContact O-N 3.15Å; T317-H320 PolarHBondContact OG1-ND1 3.44Å; T317-M321 PolarHBondContact O-N 2.76Å
318A98.3Very high97.9Very high1 Ų136.2 Ų36.21%0.00818%0.175CC..Hα-helixtrans-55.2-35.5169.500000112.9L286 A290 H320 M321 A322 L334 L339L286-A318 HydrophobicContact CD2-CB 4Å; L286-A318 HydrophobicContact CG-CB 3.77Å; A290-A318 HydrophobicContact CB-CB 3.94Å; A290-A318 WeakPolarHBondContact CB-O 3.39Å; A318-H320 VanDerWaalsContact C-N 3.34Å; A318-H320 PolarHBondContact O-N 3.43Å; A318-M321 WeakPolarHBondContact O-CB 3.26Å; A318-M321 PolarHBondContact O-N 3.32Å; A318-M321 VanDerWaalsContact O-N 3.1Å; A318-A322 PolarHBondContact O-N 3.15Å; A318-L334 HydrophobicContact CB-CD1 4.01Å; A318-L334 HydrophobicContact CB-CD2 3.94Å; A318-L339 HydrophobicContact CB-CD2 4.19Å
319L98.4Very high97.9Very high0 Ų040.7 Ų40.70%020%0.196CC..Hα-helixtrans-62.4-42177.6-169.862.3000111.6T317 M321 A322 C323 V331 L334 L335 L339 D341 A350 F363T317-L319 PolarHBondContact O-N 3.27Å; T317-L319 PolarHBondContact OG1-N 3.41Å; L319-M321 VanDerWaalsContact C-N 3.3Å; L319-M321 PolarHBondContact O-N 3.04Å; L319-A322 PolarHBondContact O-N 3.37Å; L319-C323 PolarHBondContact O-N 2.93Å; L319-C323 PolarHBondContact O-SG 3.31Å; L319-V331 HydrophobicContact CD1-CB 4.35Å; L319-V331 HydrophobicContact CD1-CG1 3.93Å; L319-V331 HydrophobicContact CD1-CG2 4.44Å; L319-L334 HydrophobicContact CD1-CB 4.04Å; L319-L334 HydrophobicContact CD1-CD1 4.44Å; L319-L335 HydrophobicContact CD1-CD2 4.25Å; L319-L335 HydrophobicContact CD1-CG 4.24Å; L319-L335 HydrophobicContact CD2-CD2 3.97Å; L319-L339 HydrophobicContact CB-CD2 3.73Å; L319-L339 HydrophobicContact CB-CG 4.15Å; L319-D341 HydrophobicContact CD2-CB 4.35Å; L319-A350 HydrophobicContact CB-CB 4.18Å; L319-A350 HydrophobicContact CD2-CB 4.09Å; L319-A350 HydrophobicContact CG-CB 3.73Å; L319-F363 HydrophobicContact CD1-CZ 4.5Å; L319-F363 HydrophobicContact CD2-CE1 4.16Å
320H98.6Very high97.9Very high0 Ų035.3 Ų35.30%017%0.171CC..Hα-helixtrans-60.1-42.1173.3-65.981.7000111.2R316 T317 A318 C323 I324 S342 A348 A350 L353R316-H320 HydrophobicContact CB-CB 3.89Å; R316-H320 HydrophobicContact CG-CB 4.4Å; T317-H320 PolarHBondContact N-ND1 3.21Å; T317-H320 VanDerWaalsContact N-ND1 3.14Å; T317-H320 WeakPolarHBondContact O-CB 3.21Å; T317-H320 PolarHBondContact O-N 3.24Å; T317-H320 VanDerWaalsContact O-N 3.15Å; T317-H320 PolarHBondContact OG1-ND1 3.44Å; A318-H320 VanDerWaalsContact C-N 3.34Å; A318-H320 PolarHBondContact O-N 3.43Å; H320-C323 PolarHBondContact O-N 3.34Å; H320-I324 WeakPolarHBondContact O-CB 3.1Å; H320-I324 VanDerWaalsContact O-CG1 3.23Å; H320-I324 WeakPolarHBondContact O-CG1 3.47Å; H320-I324 PolarHBondContact O-N 3.01Å; H320-S342 PolarHBondContact CE1-O 2.87Å; H320-S342 PolarHBondContact NE2-O 3.45Å; H320-A348 PolarHBondContact NE2-O 3.22Å; H320-A350 HydrophobicContact CB-CB 4.35Å; H320-A350 PolarHBondContact NE2-N 3.23Å; H320-L353 HydrophobicContact CB-CD1 4.22Å
321M98.3Very high97.9Very high5 Ų535 Ų353%0.02517%0.169CC..Hα-helixtrans-63.3-44.3177.9-64.2-53.312200112.2L283 H287 A290 K291 R316 T317 A318 L319 C323 I324 G325L283-M321 HydrophobicContact CD2-SD 4.39Å; H287-M321 HydrophobicContact CB-CG 3.91Å; H287-M321 WeakPolarHBondContact O-CB 3.38Å; A290-M321 HydrophobicContact CB-CB 4.03Å; K291-M321 HydrophobicContact CB-CB 4.03Å; R316-M321 HydrophobicContact CB-CE 3.33Å; R316-M321 HydrophobicContact CG-CE 4.06Å; R316-M321 VanDerWaalsContact NE-CE 3.31Å; T317-M321 PolarHBondContact O-N 2.76Å; A318-M321 WeakPolarHBondContact O-CB 3.26Å; A318-M321 PolarHBondContact O-N 3.32Å; A318-M321 VanDerWaalsContact O-N 3.1Å; L319-M321 VanDerWaalsContact C-N 3.3Å; L319-M321 PolarHBondContact O-N 3.04Å; M321-C323 VanDerWaalsContact C-N 3.32Å; M321-C323 PolarHBondContact O-N 2.97Å; M321-I324 HydrophobicContact CE-CD1 4.18Å; M321-I324 PolarHBondContact O-N 2.88Å; M321-I324 HydrophobicContact SD-CD1 4.35Å; M321-G325 PolarHBondContact O-N 3.4Å
322A98.4Very high97.9Very high0 Ų032.3 Ų32.30%016%0.158CC..Hα-helixtrans-62.6-38.8176.700000112.5A290 A318 L319 Q326 H327 A330 V331 L334A290-A322 HydrophobicContact CB-CB 4.19Å; A290-A322 VanDerWaalsContact O-CA 3.26Å; A290-A322 WeakPolarHBondContact O-CA 3.42Å; A318-A322 PolarHBondContact O-N 3.15Å; L319-A322 PolarHBondContact O-N 3.37Å; A322-Q326 PolarHBondContact O-N 3.42Å; A322-H327 PolarHBondContact O-N 2.99Å; A322-A330 HydrophobicContact CB-CB 3.96Å; A322-V331 HydrophobicContact CB-CG2 3.66Å; A322-L334 HydrophobicContact CB-CD1 3.88Å
323C98.3Very high97.9Very high0 Ų032.4 Ų32.40%016%0.159CC..Hα-helixtrans-66.1-45172.9-71.60000112L319 H320 M321 G325 Q326 A350 L353 A354L319-C323 PolarHBondContact O-N 2.93Å; L319-C323 PolarHBondContact O-SG 3.31Å; H320-C323 PolarHBondContact O-N 3.34Å; M321-C323 VanDerWaalsContact C-N 3.32Å; M321-C323 PolarHBondContact O-N 2.97Å; C323-G325 VanDerWaalsContact C-N 3.33Å; C323-G325 PolarHBondContact O-N 3.06Å; C323-Q326 PolarHBondContact O-N 2.76Å; C323-Q326 PolarHBondContact O-NE2 3.03Å; C323-A350 HydrophobicContact CB-CB 4.45Å; C323-A350 WeakPolarHBondContact CB-O 3.44Å; C323-A350 PolarHBondContact SG-O 3.06Å; C323-L353 HydrophobicContact CB-CB 4.36Å; C323-A354 HydrophobicContact CB-CB 4.28Å
324I97.8Very high98Very high64 Ų6425.5 Ų25.533%0.32813%0.129SC..Hα-helixtrans-58.2-45.7175.4-70.5165.3000110.7H320 M321 Q326 L353H320-I324 WeakPolarHBondContact O-CB 3.1Å; H320-I324 VanDerWaalsContact O-CG1 3.23Å; H320-I324 WeakPolarHBondContact O-CG1 3.47Å; H320-I324 PolarHBondContact O-N 3.01Å; M321-I324 HydrophobicContact CE-CD1 4.18Å; M321-I324 PolarHBondContact O-N 2.88Å; M321-I324 HydrophobicContact SD-CD1 4.35Å; I324-Q326 PolarHBondContact O-N 2.99Å; I324-Q326 PolarHBondContact O-NE2 3.22Å; I324-L353 HydrophobicContact CD1-CD1 3.98Å; I324-L353 HydrophobicContact CG1-CB 4.17Å; I324-L353 HydrophobicContact CG1-CD1 3.88Å
325G97.4Very high98Very high24 Ų2420.8 Ų20.825%0.24711%0.11CC..Hα-helixtrans-69.9-13.4176.500000114.4M321 C323 H327M321-G325 PolarHBondContact O-N 3.4Å; C323-G325 VanDerWaalsContact C-N 3.33Å; C323-G325 PolarHBondContact O-N 3.06Å; G325-H327 VanDerWaalsContact C-CD2 3.47Å; G325-H327 PolarHBondContact O-CD2 3.25Å; G325-H327 PolarHBondContact O-NE2 3.04Å
326Q97.8Very high97.9Very high25 Ų2523.5 Ų23.512%0.11712%0.12CC..THydrogen-bonded Turntrans63.439.7-179.4-47.4-66.3-46.500113.6A322 C323 I324 L353 K356 V359A322-Q326 PolarHBondContact O-N 3.42Å; C323-Q326 PolarHBondContact O-N 2.76Å; C323-Q326 PolarHBondContact O-NE2 3.03Å; I324-Q326 PolarHBondContact O-N 2.99Å; I324-Q326 PolarHBondContact O-NE2 3.22Å; Q326-L353 PolarHBondContact NE2-O 2.89Å; Q326-K356 HydrophobicContact CB-CD 3.85Å; Q326-K356 HydrophobicContact CB-CG 4.14Å; Q326-K356 HydrophobicContact CG-CG 4.38Å; Q326-V359 HydrophobicContact CB-CG2 4.34Å
327H97.8Very high97.8Very high67 Ų6724.8 Ų24.831%0.3113%0.129SC..  trans-103.794.5-178.1-63.6-73.1000111.7K291 E292 G293 A322 G325 E329 A330 V331K291-H327 PolarHBondContact O-CD2 2.79Å; K291-H327 PolarHBondContact O-NE2 3.33Å; K291-H327 VanDerWaalsContact O-NE2 3.09Å; E292-H327 PolarHBondContact O-CE1 3.09Å; E292-H327 PolarHBondContact O-NE2 3.28Å; G293-H327 PolarHBondContact N-CD2 3.05Å; A322-H327 PolarHBondContact O-N 2.99Å; G325-H327 VanDerWaalsContact C-CD2 3.47Å; G325-H327 PolarHBondContact O-CD2 3.25Å; G325-H327 PolarHBondContact O-NE2 3.04Å; H327-E329 PolarHBondContact O-N 3.46Å; H327-A330 HydrophobicContact CB-CB 3.83Å; H327-A330 PolarHBondContact O-N 2.89Å; H327-A330 VanDerWaalsContact O-N 3.14Å; H327-V331 PolarHBondContact O-N 3.44Å
328A97.4Very high97.6Very high11 Ų1126.7 Ų26.79%0.09115%0.149CC..Hα-helixtrans-57.2-44.2-175.500000113.2A330 V331 W332 V359 M362A328-A330 VanDerWaalsContact C-N 3.32Å; A328-A330 PolarHBondContact O-N 3.34Å; A328-V331 WeakPolarHBondContact O-CB 3.05Å; A328-V331 PolarHBondContact O-N 3.18Å; A328-W332 WeakPolarHBondContact O-CB 3.44Å; A328-W332 PolarHBondContact O-N 2.83Å; A328-V359 HydrophobicContact CB-CG2 4.15Å; A328-M362 HydrophobicContact CB-CG 3.93Å; A328-M362 HydrophobicContact CB-SD 4.26Å; A328-M362 WeakPolarHBondContact O-CG 3.35Å
329E97.5Very high97.5Very high113 Ų11326.9 Ų26.953%0.52815%0.15SC..Hα-helixtrans-67.8-31.3179.6-63.8-57.5141.700112.8T295 H327 T333T295-E329 HydrophobicContact CG2-CB 3.84Å; H327-E329 PolarHBondContact O-N 3.46Å; E329-T333 VanDerWaalsContact O-CB 3.25Å; E329-T333 WeakPolarHBondContact O-CB 3.34Å; E329-T333 PolarHBondContact O-N 3.31Å; E329-T333 PolarHBondContact O-OG1 3.06Å
330A98.1Very high97.3Very high0 Ų034.4 Ų34.40%019%0.185CC..Hα-helixtrans-71.7-41.2174.100000111.6T295 I298 A322 H327 A328 T333 L334T295-A330 HydrophobicContact CG2-CB 4.28Å; I298-A330 HydrophobicContact CD1-CB 3.73Å; A322-A330 HydrophobicContact CB-CB 3.96Å; H327-A330 HydrophobicContact CB-CB 3.83Å; H327-A330 PolarHBondContact O-N 2.89Å; H327-A330 VanDerWaalsContact O-N 3.14Å; A328-A330 VanDerWaalsContact C-N 3.32Å; A328-A330 PolarHBondContact O-N 3.34Å; A330-T333 PolarHBondContact O-N 2.89Å; A330-L334 WeakPolarHBondContact O-CB 3.41Å; A330-L334 VanDerWaalsContact O-CG 3.27Å; A330-L334 WeakPolarHBondContact O-CG 3.46Å; A330-L334 PolarHBondContact O-N 3.18Å
331V98.3Very high97.2Very high0 Ų036.9 Ų36.90%020%0.198CC..Hα-helixtrans-57.2-51.9171170.10000110L319 A322 H327 A328 T333 L334 L335 V359 M362 F363L319-V331 HydrophobicContact CD1-CB 4.35Å; L319-V331 HydrophobicContact CD1-CG1 3.93Å; L319-V331 HydrophobicContact CD1-CG2 4.44Å; A322-V331 HydrophobicContact CB-CG2 3.66Å; H327-V331 PolarHBondContact O-N 3.44Å; A328-V331 WeakPolarHBondContact O-CB 3.05Å; A328-V331 PolarHBondContact O-N 3.18Å; V331-T333 VanDerWaalsContact C-N 3.35Å; V331-T333 PolarHBondContact O-N 2.83Å; V331-L334 PolarHBondContact O-N 3.18Å; V331-L335 HydrophobicContact CG1-CD1 3.99Å; V331-L335 HydrophobicContact CG1-CG 4.42Å; V331-L335 VanDerWaalsContact O-CG 3.31Å; V331-L335 WeakPolarHBondContact O-CG 3.37Å; V331-L335 PolarHBondContact O-N 3.13Å; V331-V359 HydrophobicContact CG2-CG1 3.85Å; V331-M362 HydrophobicContact CB-CB 4.47Å; V331-M362 HydrophobicContact CG1-CB 3.81Å; V331-M362 HydrophobicContact CG1-CG 4.43Å; V331-F363 HydrophobicContact CG1-CD2 4.36Å; V331-F363 HydrophobicContact CG1-CE2 3.7Å; V331-F363 HydrophobicContact CG1-CZ 3.82Å
332W97.5Very high97Very high38 Ų3838.2 Ų38.214%0.14421%0.208CC..Hα-helixtrans-60.2-43.6179.1-175.7-121.9000112.5A328 L334 L335 L336 M362 R365 M367A328-W332 WeakPolarHBondContact O-CB 3.44Å; A328-W332 PolarHBondContact O-N 2.83Å; W332-L334 PolarHBondContact O-N 3.1Å; W332-L335 HydrophobicContact CE3-CD1 4.29Å; W332-L335 PolarHBondContact O-N 3.46Å; W332-L336 HydrophobicContact CD2-CD1 4.42Å; W332-L336 HydrophobicContact CD2-CG 4.23Å; W332-L336 HydrophobicContact CG-CD1 4.42Å; W332-L336 HydrophobicContact CH2-CD2 4.24Å; W332-L336 HydrophobicContact CZ2-CD1 4.28Å; W332-L336 HydrophobicContact CZ2-CD2 3.77Å; W332-L336 HydrophobicContact CZ2-CG 4.05Å; W332-L336 WeakPolarHBondContact O-CB 3.27Å; W332-L336 WeakPolarHBondContact O-CG 3.42Å; W332-L336 PolarHBondContact O-N 2.97Å; W332-M362 HydrophobicContact CB-CG 4.34Å; W332-M362 HydrophobicContact CB-SD 3.9Å; W332-M362 HydrophobicContact CG-SD 4.34Å; W332-R365 HydrophobicContact CE3-CB 4.14Å; W332-R365 HydrophobicContact CH2-CB 3.69Å; W332-R365 HydrophobicContact CZ3-CB 3.45Å; W332-R365 VanDerWaalsContact CZ3-CB 3.45Å; W332-R365 HydrophobicContact CZ3-CG 4.49Å; W332-M367 HydrophobicContact CH2-SD 3.92Å; W332-M367 HydrophobicContact CZ3-SD 4.02Å
333T98.1Very high96.9Very high10 Ų1044 Ų446%0.06124%0.236CC..Hα-helixtrans-60.3-44.9176.6-61.70000111.5I298 K299 E329 A330 V331 L336 L337I298-T333 HydrophobicContact CG2-CG2 4.04Å; K299-T333 HydrophobicContact CD-CG2 4.41Å; K299-T333 HydrophobicContact CG-CG2 3.83Å; E329-T333 VanDerWaalsContact O-CB 3.25Å; E329-T333 WeakPolarHBondContact O-CB 3.34Å; E329-T333 PolarHBondContact O-N 3.31Å; E329-T333 PolarHBondContact O-OG1 3.06Å; A330-T333 PolarHBondContact O-N 2.89Å; V331-T333 VanDerWaalsContact C-N 3.35Å; V331-T333 PolarHBondContact O-N 2.83Å; T333-L336 PolarHBondContact O-N 2.68Å; T333-L337 HydrophobicContact CG2-CD1 3.94Å; T333-L337 VanDerWaalsContact O-CG 3.24Å; T333-L337 WeakPolarHBondContact O-CG 3.25Å; T333-L337 PolarHBondContact O-N 3.01Å
334L98.1Very high96.8Very high0 Ų045 Ų450%024%0.241CC..Hα-helixtrans-67.2-39.3179.3-71.8166.1000112.3A290 I298 L308 A318 L319 A322 A330 V331 W332 L337 G338 L339A290-L334 HydrophobicContact CB-CD1 3.96Å; I298-L334 HydrophobicContact CD1-CG 4.42Å; I298-L334 HydrophobicContact CG2-CD2 3.61Å; I298-L334 HydrophobicContact CG2-CG 4.13Å; L308-L334 HydrophobicContact CD1-CD2 3.86Å; A318-L334 HydrophobicContact CB-CD1 4.01Å; A318-L334 HydrophobicContact CB-CD2 3.94Å; L319-L334 HydrophobicContact CD1-CB 4.04Å; L319-L334 HydrophobicContact CD1-CD1 4.44Å; A322-L334 HydrophobicContact CB-CD1 3.88Å; A330-L334 WeakPolarHBondContact O-CB 3.41Å; A330-L334 VanDerWaalsContact O-CG 3.27Å; A330-L334 WeakPolarHBondContact O-CG 3.46Å; A330-L334 PolarHBondContact O-N 3.18Å; V331-L334 PolarHBondContact O-N 3.18Å; W332-L334 PolarHBondContact O-N 3.1Å; L334-L337 PolarHBondContact O-N 3.33Å; L334-G338 PolarHBondContact O-N 2.94Å; L334-L339 HydrophobicContact CB-CB 4.43Å; L334-L339 HydrophobicContact CB-CD2 4.37Å; L334-L339 HydrophobicContact CD2-CD2 4.22Å; L334-L339 VanDerWaalsContact O-CB 3.28Å; L334-L339 WeakPolarHBondContact O-CB 3.31Å; L334-L339 PolarHBondContact O-N 3.3Å
335L96.9Very high96.7Very high22 Ų2245.4 Ų45.412%0.11526%0.26CS..Hα-helixtrans-60.6-48.2172.7-68.3173.8000110.5L319 V331 W332 L337 G338 L339 M362 F363 M367L319-L335 HydrophobicContact CD1-CD2 4.25Å; L319-L335 HydrophobicContact CD1-CG 4.24Å; L319-L335 HydrophobicContact CD2-CD2 3.97Å; V331-L335 HydrophobicContact CG1-CD1 3.99Å; V331-L335 HydrophobicContact CG1-CG 4.42Å; V331-L335 VanDerWaalsContact O-CG 3.31Å; V331-L335 WeakPolarHBondContact O-CG 3.37Å; V331-L335 PolarHBondContact O-N 3.13Å; W332-L335 HydrophobicContact CE3-CD1 4.29Å; W332-L335 PolarHBondContact O-N 3.46Å; L335-L337 VanDerWaalsContact C-N 3.26Å; L335-L337 PolarHBondContact O-N 3.23Å; L335-G338 WeakPolarHBondContact O-CA 3.44Å; L335-G338 PolarHBondContact O-N 3.46Å; L335-L339 WeakPolarHBondContact CD2-O 3.26Å; L335-M362 HydrophobicContact CD1-CB 4.47Å; L335-M362 WeakPolarHBondContact CD1-O 3.13Å; L335-F363 HydrophobicContact CD1-CD1 4.33Å; L335-F363 HydrophobicContact CD2-CD1 4.45Å; L335-F363 HydrophobicContact CD2-CE1 4.34Å; L335-M367 WeakPolarHBondContact O-CE 3.28Å
336L96.4Very high96.6Very high75 Ų7548.8 Ų48.839%0.39328%0.28SS..Hα-helixtrans-58.8-34.8176.2-77179.4000113.4W332 T333 G338 M367 P368W332-L336 HydrophobicContact CD2-CD1 4.42Å; W332-L336 HydrophobicContact CD2-CG 4.23Å; W332-L336 HydrophobicContact CG-CD1 4.42Å; W332-L336 HydrophobicContact CH2-CD2 4.24Å; W332-L336 HydrophobicContact CZ2-CD1 4.28Å; W332-L336 HydrophobicContact CZ2-CD2 3.77Å; W332-L336 HydrophobicContact CZ2-CG 4.05Å; W332-L336 WeakPolarHBondContact O-CB 3.27Å; W332-L336 WeakPolarHBondContact O-CG 3.42Å; W332-L336 PolarHBondContact O-N 2.97Å; T333-L336 PolarHBondContact O-N 2.68Å; L336-G338 PolarHBondContact O-N 3.4Å; L336-M367 HydrophobicContact CD2-SD 4.1Å; L336-P368 VanDerWaalsContact CD2-CD 3.44Å; L336-P368 HydrophobicContact CD2-CG 3.61Å
337L96.3Very high96.5Very high64 Ų6449.2 Ų49.234%0.33529%0.291SS..THydrogen-bonded Turntrans-74.5-2.4175.1-68.6168000113I298 V302 L308 T333 L334 L335I298-L337 HydrophobicContact CG2-CD1 3.86Å; V302-L337 HydrophobicContact CG2-CD1 4.18Å; L308-L337 HydrophobicContact CD1-CB 4.35Å; L308-L337 HydrophobicContact CD2-CB 4.02Å; L308-L337 WeakPolarHBondContact CD2-O 3.22Å; T333-L337 HydrophobicContact CG2-CD1 3.94Å; T333-L337 VanDerWaalsContact O-CG 3.24Å; T333-L337 WeakPolarHBondContact O-CG 3.25Å; T333-L337 PolarHBondContact O-N 3.01Å; L334-L337 PolarHBondContact O-N 3.33Å; L335-L337 VanDerWaalsContact C-N 3.26Å; L335-L337 PolarHBondContact O-N 3.23Å
338G94.7Very high96.4Very high42 Ų4246.8 Ų46.843%0.43328%0.283SS..THydrogen-bonded Turntrans97.88.1174.800000114.8L334 L335 L336 Q340L334-G338 PolarHBondContact O-N 2.94Å; L335-G338 WeakPolarHBondContact O-CA 3.44Å; L335-G338 PolarHBondContact O-N 3.46Å; L336-G338 PolarHBondContact O-N 3.4Å; G338-Q340 PolarHBondContact O-N 2.94Å
339L95.6Very high96.4Very high4 Ų447.6 Ų47.62%0.02129%0.286CS..PPolyproline II helixtrans-77118.7177.6-168.255000110L308 H309 A318 L319 L334 L335L308-L339 HydrophobicContact CD1-CB 4.12Å; L308-L339 HydrophobicContact CD1-CD2 4.15Å; L308-L339 HydrophobicContact CD2-CB 4.15Å; L308-L339 HydrophobicContact CG-CB 4.04Å; L308-L339 HydrophobicContact CG-CD1 4.28Å; L308-L339 HydrophobicContact CG-CD2 4.44Å; L308-L339 HydrophobicContact CG-CG 4.49Å; L308-L339 WeakPolarHBondContact O-CD1 3.28Å; H309-L339 WeakPolarHBondContact ND1-CD1 3.4Å; A318-L339 HydrophobicContact CB-CD2 4.19Å; L319-L339 HydrophobicContact CB-CD2 3.73Å; L319-L339 HydrophobicContact CB-CG 4.15Å; L334-L339 HydrophobicContact CB-CB 4.43Å; L334-L339 HydrophobicContact CB-CD2 4.37Å; L334-L339 HydrophobicContact CD2-CD2 4.22Å; L334-L339 VanDerWaalsContact O-CB 3.28Å; L334-L339 WeakPolarHBondContact O-CB 3.31Å; L334-L339 PolarHBondContact O-N 3.3Å; L335-L339 WeakPolarHBondContact CD2-O 3.26Å
340Q94.7Very high96.3Very high158 Ų15842.2 Ų42.274%0.73826%0.261SS*.PPolyproline II helixtrans-86.4153.1-179.4-63.7-179.91.700112.2G338 S342G338-Q340 PolarHBondContact O-N 2.94Å; Q340-S342 PolarHBondContact O-N 3Å
341D95Very high96.2Very high52 Ų5245.4 Ų45.428%0.27828%0.276SS..PPolyproline II helixtrans-67.7122.4168.1-162.317.4000109.4L319 T349 A350 Q351 F363L319-D341 HydrophobicContact CD2-CB 4.35Å; D341-T349 WeakPolarHBondContact OD1-CB 3.21Å; D341-T349 VanDerWaalsContact OD2-CB 3.26Å; D341-T349 WeakPolarHBondContact OD2-CB 3.45Å; D341-T349 PolarHBondContact OD2-OG1 3.38Å; D341-A350 WeakPolarHBondContact OD1-CA 3.41Å; D341-A350 WeakPolarHBondContact OD1-CB 3.5Å; D341-A350 PolarHBondContact OD1-N 3.38Å; D341-Q351 VanDerWaalsContact OD2-CB 3.28Å; D341-Q351 WeakPolarHBondContact OD2-CB 3.45Å; D341-Q351 PolarHBondContact OD2-N 3.41Å; D341-F363 HydrophobicContact CB-CD1 4.35Å; D341-F363 HydrophobicContact CB-CE1 3.98Å
342S95.2Very high96.1Very high34 Ų3451.7 Ų51.724%0.23831%0.306CS..  trans-143.6158.7-178.257.90000109.1R311 H320 Q340R311-S342 PolarHBondContact NH2-OG 3Å; H320-S342 PolarHBondContact CE1-O 2.87Å; H320-S342 PolarHBondContact NE2-O 3.45Å; Q340-S342 PolarHBondContact O-N 3Å
343E96.9Very high96Very high122 Ų12252.2 Ų52.257%0.5731%0.311SS*.BIsolated β-bridgetrans-71.3144.8179.9-65.1177.9-176.500111.8R311 A348 T349R311-E343 PolarHBondContact NH1-O 3.3Å; E343-A348 CarbonylContact C-O 3.59Å; E343-A348 WeakPolarHBondContact CA-O 3.33Å; E343-T349 HydrophobicContact CG-CG2 4.05Å
344D96.2Very high95.8Very high21 Ų2152.3 Ų52.311%0.11231%0.313CS..  trans-81.3-176.4163.777.33.9000111.7R316 S346 G347 A348R316-D344 HydrophobicContact CB-CB 4.49Å; R316-D344 HydrophobicContact CG-CB 3.69Å; D344-S346 PolarHBondContact O-N 3.46Å; D344-S346 WeakPolarHBondContact OD1-CA 3.43Å; D344-S346 WeakPolarHBondContact OD1-CB 3.24Å; D344-S346 PolarHBondContact OD1-N 3.35Å; D344-S346 PolarHBondContact OD1-OG 3.35Å; D344-S346 PolarHBondContact OD2-OG 3.28Å; D344-G347 PolarHBondContact O-N 2.85Å; D344-G347 PolarHBondContact OD1-N 2.93Å; D344-A348 PolarHBondContact N-O 3.14Å; D344-A348 PolarHBondContact OD1-N 3.39Å; D344-A348 VanDerWaalsContact OD1-N 3.17Å
345G95.3Very high95.7Very high71 Ų7161.2 Ų61.273%0.73235%0.352SS*.THydrogen-bonded Turntrans-65.4-8.1-179.800000114.9K314K314-G345 WeakPolarHBondContact O-CA 3.43Å; K314-G345 PolarHBondContact O-N 3.42Å
346S95.1Very high95.6Very high96 Ų9665.5 Ų65.567%0.67137%0.369SS*.THydrogen-bonded Turntrans-99.9-1.4173.572.70000113.6D344 A348D344-S346 PolarHBondContact O-N 3.46Å; D344-S346 WeakPolarHBondContact OD1-CA 3.43Å; D344-S346 WeakPolarHBondContact OD1-CB 3.24Å; D344-S346 PolarHBondContact OD1-N 3.35Å; D344-S346 PolarHBondContact OD1-OG 3.35Å; D344-S346 PolarHBondContact OD2-OG 3.28Å; S346-A348 VanDerWaalsContact C-N 3.34Å
347G95.8Very high95.5Very high33 Ų3367.1 Ų67.134%0.3438%0.375SS..SBendtrans82.98.3-174.800000113.7D344D344-G347 PolarHBondContact O-N 2.85Å; D344-G347 PolarHBondContact OD1-N 2.93Å
348A96.2Very high95.4Very high17 Ų1767.9 Ų67.914%0.1438%0.379CS..  trans-89.9132.7178.900000110.5H320 E343 D344 S346 Q352 L353H320-A348 PolarHBondContact NE2-O 3.22Å; E343-A348 CarbonylContact C-O 3.59Å; E343-A348 WeakPolarHBondContact CA-O 3.33Å; D344-A348 PolarHBondContact N-O 3.14Å; D344-A348 PolarHBondContact OD1-N 3.39Å; D344-A348 VanDerWaalsContact OD1-N 3.17Å; S346-A348 VanDerWaalsContact C-N 3.34Å; A348-Q352 VanDerWaalsContact CA-OE1 3.32Å; A348-L353 HydrophobicContact CB-CD2 4.38Å
349T96.9Very high95.4Very high27 Ų2765.9 Ų65.917%0.16636%0.359CS..BIsolated β-bridgetrans-80.1161.9172.685.10000111.2D341 E343 Q351 Q352D341-T349 WeakPolarHBondContact OD1-CB 3.21Å; D341-T349 VanDerWaalsContact OD2-CB 3.26Å; D341-T349 WeakPolarHBondContact OD2-CB 3.45Å; D341-T349 PolarHBondContact OD2-OG1 3.38Å; E343-T349 HydrophobicContact CG-CG2 4.05Å; T349-Q351 VanDerWaalsContact C-N 3.3Å; T349-Q351 PolarHBondContact O-N 3.03Å; T349-Q351 PolarHBondContact OG1-N 3.01Å; T349-Q352 PolarHBondContact O-N 3.35Å; T349-Q352 PolarHBondContact OG1-N 3.37Å
350A95.6Very high95.3Very high0 Ų067.4 Ų67.40%037%0.367CS..Hα-helixtrans-61.4-40.5176.900000111.3L319 H320 C323 D341 Q352 L353L319-A350 HydrophobicContact CB-CB 4.18Å; L319-A350 HydrophobicContact CD2-CB 4.09Å; L319-A350 HydrophobicContact CG-CB 3.73Å; H320-A350 HydrophobicContact CB-CB 4.35Å; H320-A350 PolarHBondContact NE2-N 3.23Å; C323-A350 HydrophobicContact CB-CB 4.45Å; C323-A350 WeakPolarHBondContact CB-O 3.44Å; C323-A350 PolarHBondContact SG-O 3.06Å; D341-A350 WeakPolarHBondContact OD1-CA 3.41Å; D341-A350 WeakPolarHBondContact OD1-CB 3.5Å; D341-A350 PolarHBondContact OD1-N 3.38Å; A350-Q352 VanDerWaalsContact C-N 3.27Å; A350-Q352 PolarHBondContact O-N 3.01Å; A350-L353 WeakPolarHBondContact O-CB 3.12Å; A350-L353 PolarHBondContact O-N 3.39Å
351Q95.8Very high95.3Very high68 Ų6866.9 Ų66.932%0.31836%0.358SS..Hα-helixtrans-58.5-39.1177.3-172.5-178.74.900112D341 T349 L353 A354 L360 F363D341-Q351 VanDerWaalsContact OD2-CB 3.28Å; D341-Q351 WeakPolarHBondContact OD2-CB 3.45Å; D341-Q351 PolarHBondContact OD2-N 3.41Å; T349-Q351 VanDerWaalsContact C-N 3.3Å; T349-Q351 PolarHBondContact O-N 3.03Å; T349-Q351 PolarHBondContact OG1-N 3.01Å; Q351-L353 PolarHBondContact O-N 3.3Å; Q351-A354 WeakPolarHBondContact O-CB 3.35Å; Q351-A354 PolarHBondContact O-N 3.31Å; Q351-L360 HydrophobicContact CG-CD2 3.64Å; Q351-F363 HydrophobicContact CB-CD1 4.15Å; Q351-F363 HydrophobicContact CB-CD2 4.1Å; Q351-F363 HydrophobicContact CB-CE1 3.98Å; Q351-F363 HydrophobicContact CB-CE2 3.92Å; Q351-F363 HydrophobicContact CB-CG 4.21Å; Q351-F363 HydrophobicContact CB-CZ 3.86Å; Q351-F363 HydrophobicContact CG-CD1 4.45Å; Q351-F363 HydrophobicContact CG-CD2 3.78Å; Q351-F363 HydrophobicContact CG-CE2 4Å; Q351-F363 HydrophobicContact CG-CG 4.02Å; Q351-F363 HydrophobicContact CG-CZ 4.43Å
352Q95.9Very high95.2Very high132 Ų13264.9 Ų64.962%0.61735%0.347SS*.Hα-helixtrans-65.9-21178.5-68173.1-20.100113.3A348 T349 A350A348-Q352 VanDerWaalsContact CA-OE1 3.32Å; T349-Q352 PolarHBondContact O-N 3.35Å; T349-Q352 PolarHBondContact OG1-N 3.37Å; A350-Q352 VanDerWaalsContact C-N 3.27Å; A350-Q352 PolarHBondContact O-N 3.01Å
353L94.8Very high95.1Very high49 Ų4965.4 Ų65.426%0.25735%0.345SS..Hα-helixtrans-85.1-11.1175.4-57.6-179000113H320 C323 I324 Q326 A348 A350 Q351H320-L353 HydrophobicContact CB-CD1 4.22Å; C323-L353 HydrophobicContact CB-CB 4.36Å; I324-L353 HydrophobicContact CD1-CD1 3.98Å; I324-L353 HydrophobicContact CG1-CB 4.17Å; I324-L353 HydrophobicContact CG1-CD1 3.88Å; Q326-L353 PolarHBondContact NE2-O 2.89Å; A348-L353 HydrophobicContact CB-CD2 4.38Å; A350-L353 WeakPolarHBondContact O-CB 3.12Å; A350-L353 PolarHBondContact O-N 3.39Å; Q351-L353 PolarHBondContact O-N 3.3Å
354A95.1Very high94.7Very high12 Ų1265.8 Ų65.810%0.09935%0.347CS..  trans-78137.7175.300000111.3C323 Q351 V359 L360C323-A354 HydrophobicContact CB-CB 4.28Å; Q351-A354 WeakPolarHBondContact O-CB 3.35Å; Q351-A354 PolarHBondContact O-N 3.31Å; A354-V359 HydrophobicContact CB-CB 4.13Å; A354-V359 HydrophobicContact CB-CG1 3.65Å; A354-L360 HydrophobicContact CB-CD2 3.81Å; A354-L360 HydrophobicContact CB-CG 4.22Å
355K95.1Very high94.1Very high186 Ų18670.7 Ų70.781%0.80936%0.364SS*.  trans-112.8-29.6179.5-61-177.9-178.3179.20112.4
356K95.1Very high93.1Very high113 Ų11374.7 Ų74.749%0.49137%0.368SS..SBendtrans-87.9135.7-178.8-58.8-176.2-176.2166.80111.4Q326 N358 V359 L360Q326-K356 HydrophobicContact CB-CD 3.85Å; Q326-K356 HydrophobicContact CB-CG 4.14Å; Q326-K356 HydrophobicContact CG-CG 4.38Å; K356-N358 VanDerWaalsContact C-N 3.25Å; K356-N358 WeakPolarHBondContact CB-OD1 3.45Å; K356-N358 PolarHBondContact O-N 3.32Å; K356-V359 HydrophobicContact CB-CG2 4.13Å; K356-V359 WeakPolarHBondContact O-CB 3.43Å; K356-V359 PolarHBondContact O-N 2.98Å; K356-L360 PolarHBondContact O-N 2.9Å
357Q93.4Very high92Very high108 Ų10875 Ų7551%0.50536%0.36SS..Hα-helixtrans-59.8-34.5-179.4-163.764.92400113.2V359 L360 R361Q357-V359 PolarHBondContact O-N 3.36Å; Q357-L360 PolarHBondContact O-N 2.87Å; Q357-R361 WeakPolarHBondContact O-CG 3.33Å; Q357-R361 PolarHBondContact O-N 3.48Å
358N94.7Very high90.5Very high80 Ų8077.2 Ų77.243%0.42837%0.369SS..Hα-helixtrans-66.5-26.8177.868.3-37.6000112.8K356 M362K356-N358 VanDerWaalsContact C-N 3.25Å; K356-N358 WeakPolarHBondContact CB-OD1 3.45Å; K356-N358 PolarHBondContact O-N 3.32Å; N358-M362 WeakPolarHBondContact O-CE 3.32Å
359V95.1Very high88.3Confident0 Ų084.3 Ų84.30%040%0.399CS..Hα-helixtrans-76.8-45174.2-1790000110Q326 A328 V331 A354 K356 Q357 R361 M362Q326-V359 HydrophobicContact CB-CG2 4.34Å; A328-V359 HydrophobicContact CB-CG2 4.15Å; V331-V359 HydrophobicContact CG2-CG1 3.85Å; A354-V359 HydrophobicContact CB-CB 4.13Å; A354-V359 HydrophobicContact CB-CG1 3.65Å; K356-V359 HydrophobicContact CB-CG2 4.13Å; K356-V359 WeakPolarHBondContact O-CB 3.43Å; K356-V359 PolarHBondContact O-N 2.98Å; Q357-V359 PolarHBondContact O-N 3.36Å; V359-R361 VanDerWaalsContact C-N 3.29Å; V359-R361 PolarHBondContact O-N 2.7Å; V359-M362 WeakPolarHBondContact O-CB 3.46Å; V359-M362 PolarHBondContact O-N 3.36Å
360L93.7Very high85.9Confident37 Ų3788.8 Ų88.819%0.19443%0.427CS..Hα-helixtrans-58.3-40.8177.7-68171.7000112.2Q351 A354 K356 Q357 M362 F363Q351-L360 HydrophobicContact CG-CD2 3.64Å; A354-L360 HydrophobicContact CB-CD2 3.81Å; A354-L360 HydrophobicContact CB-CG 4.22Å; K356-L360 PolarHBondContact O-N 2.9Å; Q357-L360 PolarHBondContact O-N 2.87Å; L360-M362 PolarHBondContact O-N 3.34Å; L360-M362 VanDerWaalsContact O-N 3.08Å; L360-F363 PolarHBondContact O-N 3.3Å; L360-F363 VanDerWaalsContact O-N 3.12Å
361R93.9Very high83.3Confident146 Ų14697 Ų9755%0.55147%0.465SS*.THydrogen-bonded Turntrans-59.3-19.5176.2-75.9177.1-175.3175.92.5114.1Q357 V359 F363 E364 R365Q357-R361 WeakPolarHBondContact O-CG 3.33Å; Q357-R361 PolarHBondContact O-N 3.48Å; V359-R361 VanDerWaalsContact C-N 3.29Å; V359-R361 PolarHBondContact O-N 2.7Å; R361-F363 VanDerWaalsContact C-N 3.27Å; R361-F363 PolarHBondContact O-N 3.01Å; R361-E364 PolarHBondContact O-N 3.12Å; R361-R365 PolarHBondContact O-N 3.44Å
362M94.3Very high80.8Confident11 Ų1199.1 Ų99.15%0.05448%0.482CS..THydrogen-bonded Turntrans-70.9-25.6178.6-59.2-60.490.900112.5A328 V331 W332 L335 N358 V359 L360 E364 R365A328-M362 HydrophobicContact CB-CG 3.93Å; A328-M362 HydrophobicContact CB-SD 4.26Å; A328-M362 WeakPolarHBondContact O-CG 3.35Å; V331-M362 HydrophobicContact CB-CB 4.47Å; V331-M362 HydrophobicContact CG1-CB 3.81Å; V331-M362 HydrophobicContact CG1-CG 4.43Å; W332-M362 HydrophobicContact CB-CG 4.34Å; W332-M362 HydrophobicContact CB-SD 3.9Å; W332-M362 HydrophobicContact CG-SD 4.34Å; L335-M362 HydrophobicContact CD1-CB 4.47Å; L335-M362 WeakPolarHBondContact CD1-O 3.13Å; N358-M362 WeakPolarHBondContact O-CE 3.32Å; V359-M362 WeakPolarHBondContact O-CB 3.46Å; V359-M362 PolarHBondContact O-N 3.36Å; L360-M362 PolarHBondContact O-N 3.34Å; L360-M362 VanDerWaalsContact O-N 3.08Å; M362-E364 VanDerWaalsContact C-N 3.29Å; M362-R365 HydrophobicContact CE-CG 4.38Å; M362-R365 VanDerWaalsContact CE-CZ 3.42Å; M362-R365 PolarHBondContact SD-NH1 3.08Å
363F91.8Very high78.1Confident45 Ų4596.5 Ų96.520%0.19749%0.491CS..THydrogen-bonded Turntrans-78.3-16.8175.5-64.7-90.7000112.7L319 V331 L335 D341 Q351 L360 R361L319-F363 HydrophobicContact CD1-CZ 4.5Å; L319-F363 HydrophobicContact CD2-CE1 4.16Å; V331-F363 HydrophobicContact CG1-CD2 4.36Å; V331-F363 HydrophobicContact CG1-CE2 3.7Å; V331-F363 HydrophobicContact CG1-CZ 3.82Å; L335-F363 HydrophobicContact CD1-CD1 4.33Å; L335-F363 HydrophobicContact CD2-CD1 4.45Å; L335-F363 HydrophobicContact CD2-CE1 4.34Å; D341-F363 HydrophobicContact CB-CD1 4.35Å; D341-F363 HydrophobicContact CB-CE1 3.98Å; Q351-F363 HydrophobicContact CB-CD1 4.15Å; Q351-F363 HydrophobicContact CB-CD2 4.1Å; Q351-F363 HydrophobicContact CB-CE1 3.98Å; Q351-F363 HydrophobicContact CB-CE2 3.92Å; Q351-F363 HydrophobicContact CB-CG 4.21Å; Q351-F363 HydrophobicContact CB-CZ 3.86Å; Q351-F363 HydrophobicContact CG-CD1 4.45Å; Q351-F363 HydrophobicContact CG-CD2 3.78Å; Q351-F363 HydrophobicContact CG-CE2 4Å; Q351-F363 HydrophobicContact CG-CG 4.02Å; Q351-F363 HydrophobicContact CG-CZ 4.43Å; L360-F363 PolarHBondContact O-N 3.3Å; L360-F363 VanDerWaalsContact O-N 3.12Å; R361-F363 VanDerWaalsContact C-N 3.27Å; R361-F363 PolarHBondContact O-N 3.01Å
364E88.2Confident75.5Confident130 Ų13099.2 Ų99.261%0.60751%0.514SS*.THydrogen-bonded Turntrans-96.5-5.6-179.8-61168177.900112.3R361 M362R361-E364 PolarHBondContact O-N 3.12Å; M362-E364 VanDerWaalsContact C-N 3.29Å
365R84.4Confident72.9Confident124 Ų124108.2 Ų108.247%0.46858%0.576SS.*SBendtrans-78134.4-178.3-85.3-176.7164175.3-5.1110.9W332 R361 M362 M367W332-R365 HydrophobicContact CE3-CB 4.14Å; W332-R365 HydrophobicContact CH2-CB 3.69Å; W332-R365 HydrophobicContact CZ3-CB 3.45Å; W332-R365 VanDerWaalsContact CZ3-CB 3.45Å; W332-R365 HydrophobicContact CZ3-CG 4.49Å; R361-R365 PolarHBondContact O-N 3.44Å; M362-R365 HydrophobicContact CE-CG 4.38Å; M362-R365 VanDerWaalsContact CE-CZ 3.42Å; M362-R365 PolarHBondContact SD-NH1 3.08Å; R365-M367 PolarHBondContact O-N 3.01Å
366D74.3Confident71.8Confident154 Ų154104.3 Ų104.382%0.82456%0.564SS**PPolyproline II helixtrans-63.2130.9170.8-64.6-38.6000110.4
367M72.4Confident70.5Confident102 Ų102103.8 Ų103.850%0.50257%0.568SS.*PPolyproline II helixtrans-67.9133.4175-66.6-70.2-99.500108.7W332 L335 L336 R365 E369W332-M367 HydrophobicContact CH2-SD 3.92Å; W332-M367 HydrophobicContact CZ3-SD 4.02Å; L335-M367 WeakPolarHBondContact O-CE 3.28Å; L336-M367 HydrophobicContact CD2-SD 4.1Å; R365-M367 PolarHBondContact O-N 3.01Å; M367-E369 PolarHBondContact O-N 3.27Å
368P63.1Low69.3Low81 Ų81103.6 Ų103.653%0.52657%0.572SS.*PPolyproline II helixtrans-58.3130.5176.623.1-30.5000108.9L336 T370L336-P368 VanDerWaalsContact CD2-CD 3.44Å; L336-P368 HydrophobicContact CD2-CG 3.61Å; P368-T370 PolarHBondContact O-N 3.43Å
369E50.8Low67.8Low166 Ų166105 Ų10578%0.77658%0.58SS**  trans-53.7114.1178-67.6-176.3173.700109M367 H371M367-E369 PolarHBondContact O-N 3.27Å; E369-H371 PolarHBondContact O-N 2.9Å
370T46Very low66.1Low120 Ų120111.6 Ų111.674%0.73662%0.617SS**  trans-66.1102.1170.251.10000106.8P368 T372P368-T370 PolarHBondContact O-N 3.43Å; T370-T372 PolarHBondContact O-N 2.77Å
371H41.8Very low64.2Low172 Ų172116.5 Ų116.580%0.79665%0.645SS**  trans-63.588.6165.3-74.1-48.3000108.1E369 G373E369-H371 PolarHBondContact O-N 2.9Å; H371-G373 PolarHBondContact O-N 2.94Å
372T43.5Very low62.1Low113 Ų113114.4 Ų114.469%0.69365%0.652SS**  trans-66.887.4160.950.70000106.9T370 S374T370-T372 PolarHBondContact O-N 2.77Å; T372-S374 VanDerWaalsContact C-N 3.28Å; T372-S374 PolarHBondContact O-N 2.87Å
373G38.3Very low59.6Low77 Ų77122.4 Ų122.479%0.79470%0.697SS**  trans-60.694.1166.400000108.7H371H371-G373 PolarHBondContact O-N 2.94Å
374S40.1Very low56.9Low106 Ų106128.8 Ų128.874%0.74174%0.739SS**  trans-80.5111.6163.4-55.10000106.9T372T372-S374 VanDerWaalsContact C-N 3.28Å; T372-S374 PolarHBondContact O-N 2.87Å
375S40.4Very low54.1Low201 Ų201128.7 Ų128.7100%1.40675%0.751SS**  trans-174.50153.4-71.30000109.1

Retrieved 375 of 375 residues in 154.4 ms (Link to these results)

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