A0A077Z7H7_TRITR Loading...

Fanconi-associated nuclease

Nuclease required for the repair of DNA interstrand cross-links (ICL). Acts as a 5'-3' exonuclease that anchors at a cut end of DNA and cleaves DNA successively at every third nucleotide, allowing to excise an ICL from one strand through flanking incisions.

AlphaFold DB , UniProt , Accession A0A077Z7H7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 274 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
1M61.2Low80.8Confident210 Ų21086.3 Ų86.3100%1.03443%0.426SS*.  0-57.50-151.6177.8-68.900112.1R3 A4 Y5M1-R3 PolarHBondContact O-N 2.96Å; M1-A4 WeakPolarHBondContact O-CB 3.48Å; M1-A4 PolarHBondContact O-N 2.99Å; M1-Y5 PolarHBondContact O-N 3.27Å
2I68.3Low82Confident57 Ų5780 Ų8029%0.29240%0.395SS..Hα-helixtrans-57.9-41.2-175.5-51.4175.9000113.4A4 Y5 T6 L28 C32 I36 M37I2-A4 PolarHBondContact O-N 3.11Å; I2-Y5 WeakPolarHBondContact O-CA 3.43Å; I2-Y5 VanDerWaalsContact O-CB 3.31Å; I2-Y5 WeakPolarHBondContact O-CB 3.31Å; I2-Y5 PolarHBondContact O-N 3.01Å; I2-T6 WeakPolarHBondContact O-CG2 3.46Å; I2-T6 PolarHBondContact O-N 3.24Å; I2-T6 VanDerWaalsContact O-N 3.11Å; I2-L28 HydrophobicContact CG2-CD2 4.12Å; I2-C32 VanDerWaalsContact CG2-SG 3.51Å; I2-I36 HydrophobicContact CD1-CD1 4.3Å; I2-I36 HydrophobicContact CD1-CG2 4.15Å; I2-M37 HydrophobicContact CB-CE 4.06Å; I2-M37 HydrophobicContact CG2-CE 3.29Å
3R67.9Low83Confident201 Ų20175.5 Ų75.576%0.75837%0.372SS*.Hα-helixtrans-58.1-28.2175.3-74.1-174.4-176.9171.92114.5M1 T6 F7 M37M1-R3 PolarHBondContact O-N 2.96Å; R3-T6 PolarHBondContact O-OG1 3.17Å; R3-F7 WeakPolarHBondContact O-CE2 3.38Å; R3-M37 HydrophobicContact CG-SD 3.9Å
4A70.9Confident83.8Confident71 Ų7182.9 Ų82.959%0.58740%0.401SS*.Hα-helixtrans-79.7-35.8174.200000110.6M1 I2 T6 F7M1-A4 WeakPolarHBondContact O-CB 3.48Å; M1-A4 PolarHBondContact O-N 2.99Å; I2-A4 PolarHBondContact O-N 3.11Å; A4-T6 PolarHBondContact O-N 3.09Å; A4-F7 WeakPolarHBondContact O-CD2 3.48Å; A4-F7 PolarHBondContact O-N 3.3Å
5Y81.1Confident84.6Confident77 Ų7785 Ų8530%0.30242%0.415SS..Hα-helixtrans-64.2-27.2178.6-152.9-92.5000113M1 I2 F7 L8 P9 E24 W27 L28M1-Y5 PolarHBondContact O-N 3.27Å; I2-Y5 WeakPolarHBondContact O-CA 3.43Å; I2-Y5 VanDerWaalsContact O-CB 3.31Å; I2-Y5 WeakPolarHBondContact O-CB 3.31Å; I2-Y5 PolarHBondContact O-N 3.01Å; Y5-F7 PolarHBondContact O-N 2.73Å; Y5-F7 VanDerWaalsContact O-N 3.09Å; Y5-L8 HydrophobicContact CE1-CD2 3.99Å; Y5-L8 HydrophobicContact CE2-CD2 3.86Å; Y5-L8 VanDerWaalsContact O-CB 3.3Å; Y5-L8 WeakPolarHBondContact O-CB 3.43Å; Y5-L8 PolarHBondContact O-N 2.89Å; Y5-P9 VanDerWaalsContact O-CD 3.28Å; Y5-P9 WeakPolarHBondContact O-CD 3.49Å; Y5-E24 WeakPolarHBondContact CE1-OE2 3.44Å; Y5-E24 PolarHBondContact OH-OE2 3.24Å; Y5-W27 AromaticContact CD1-CE3 3.98Å; Y5-W27 HydrophobicContact CD1-CE3 3.98Å; Y5-W27 AromaticContact CD1-CZ3 3.61Å; Y5-W27 HydrophobicContact CD1-CZ3 3.61Å; Y5-W27 HydrophobicContact CE1-CD2 4.49Å; Y5-W27 AromaticContact CE1-CE3 3.54Å; Y5-W27 HydrophobicContact CE1-CE3 3.54Å; Y5-W27 HydrophobicContact CE1-CH2 4.45Å; Y5-W27 AromaticContact CE1-CZ3 3.52Å; Y5-W27 HydrophobicContact CE1-CZ3 3.52Å; Y5-W27 HydrophobicContact CG-CZ3 4.3Å; Y5-L28 HydrophobicContact CD1-CD2 3.86Å; Y5-L28 HydrophobicContact CD1-CG 4.21Å
6T81.7Confident85.2Confident15 Ų1589.9 Ų89.99%0.09243%0.433CS..THydrogen-bonded Turntrans-62-19.317760.10000114.3I2 R3 A4 L28 M37 W44I2-T6 WeakPolarHBondContact O-CG2 3.46Å; I2-T6 PolarHBondContact O-N 3.24Å; I2-T6 VanDerWaalsContact O-N 3.11Å; R3-T6 PolarHBondContact O-OG1 3.17Å; A4-T6 PolarHBondContact O-N 3.09Å; T6-L28 HydrophobicContact CG2-CD2 4.45Å; T6-M37 HydrophobicContact CG2-CE 3.63Å; T6-M37 HydrophobicContact CG2-SD 3.9Å; T6-W44 HydrophobicContact CG2-CH2 4.09Å; T6-W44 HydrophobicContact CG2-CZ2 3.38Å
7F87.7Confident85.8Confident125 Ų12591.2 Ų91.255%0.54843%0.432SS..Hα-helixtrans-82.6-20.6176.3-65.7-76.3000113.1R3 A4 Y5 Q10 S11R3-F7 WeakPolarHBondContact O-CE2 3.38Å; A4-F7 WeakPolarHBondContact O-CD2 3.48Å; A4-F7 PolarHBondContact O-N 3.3Å; Y5-F7 PolarHBondContact O-N 2.73Å; Y5-F7 VanDerWaalsContact O-N 3.09Å; F7-Q10 PolarHBondContact O-N 2.93Å; F7-S11 WeakPolarHBondContact O-CB 3.4Å; F7-S11 PolarHBondContact O-N 3.46Å; F7-S11 PolarHBondContact O-OG 3.23Å
8L92.1Very high86.2Confident63 Ų6389 Ų8933%0.3342%0.42SS..Hα-helixtrans-58.3-56.1179.1178.962.5000112.7Y5 Q10 S11 L12 E24Y5-L8 HydrophobicContact CE1-CD2 3.99Å; Y5-L8 HydrophobicContact CE2-CD2 3.86Å; Y5-L8 VanDerWaalsContact O-CB 3.3Å; Y5-L8 WeakPolarHBondContact O-CB 3.43Å; Y5-L8 PolarHBondContact O-N 2.89Å; L8-Q10 VanDerWaalsContact C-N 3.29Å; L8-Q10 PolarHBondContact O-N 3.45Å; L8-S11 WeakPolarHBondContact O-CB 3.06Å; L8-S11 PolarHBondContact O-N 2.94Å; L8-L12 HydrophobicContact CD1-CD1 4.28Å; L8-L12 HydrophobicContact CD1-CG 4.31Å; L8-L12 HydrophobicContact CG-CD1 4.13Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.35Å; L8-E24 HydrophobicContact CD2-CG 4.05Å; L8-E24 HydrophobicContact CG-CG 4.31Å
9P92.7Very high86.4Confident0 Ų091.4 Ų91.40%043%0.429CS..Hα-helixtrans-60.5-40.2-179.422.8-34.1000111.8Y5 S11 L12 E13 A21 E24 F25 L28Y5-P9 VanDerWaalsContact O-CD 3.28Å; Y5-P9 WeakPolarHBondContact O-CD 3.49Å; P9-S11 VanDerWaalsContact C-N 3.27Å; P9-S11 PolarHBondContact O-N 3.11Å; P9-L12 WeakPolarHBondContact O-CB 3.45Å; P9-L12 PolarHBondContact O-N 2.63Å; P9-E13 WeakPolarHBondContact O-CG 3.32Å; P9-E13 PolarHBondContact O-N 3.47Å; P9-A21 WeakPolarHBondContact O-CB 3.38Å; P9-E24 HydrophobicContact CB-CB 3.89Å; P9-E24 HydrophobicContact CG-CB 4.44Å; P9-F25 HydrophobicContact CB-CD1 3.79Å; P9-F25 HydrophobicContact CB-CD2 3.84Å; P9-F25 HydrophobicContact CB-CE1 3.65Å; P9-F25 HydrophobicContact CB-CE2 3.68Å; P9-F25 HydrophobicContact CB-CG 3.88Å; P9-F25 HydrophobicContact CB-CZ 3.59Å; P9-F25 HydrophobicContact CG-CD1 3.74Å; P9-F25 HydrophobicContact CG-CE1 3.52Å; P9-F25 HydrophobicContact CG-CE2 4.47Å; P9-F25 HydrophobicContact CG-CG 4.31Å; P9-F25 HydrophobicContact CG-CZ 3.93Å; P9-L28 HydrophobicContact CG-CD1 3.85Å
10Q92Very high86.8Confident73 Ų7390.8 Ų90.834%0.34143%0.425SS..Hα-helixtrans-62.6-34.4176-63.4-179.8-16.300112.7F7 L8 K14 F25F7-Q10 PolarHBondContact O-N 2.93Å; L8-Q10 VanDerWaalsContact C-N 3.29Å; L8-Q10 PolarHBondContact O-N 3.45Å; Q10-K14 WeakPolarHBondContact O-CG 3.47Å; Q10-K14 PolarHBondContact O-N 3.34Å; Q10-K14 VanDerWaalsContact O-N 3.17Å; Q10-F25 HydrophobicContact CG-CZ 4.39Å
11S93.1Very high87.1Confident57 Ų5786.4 Ų86.440%0.39941%0.405SS..Hα-helixtrans-72.5-38.9176.7-56.80000110.9F7 L8 P9 E13 K14 L15F7-S11 WeakPolarHBondContact O-CB 3.4Å; F7-S11 PolarHBondContact O-N 3.46Å; F7-S11 PolarHBondContact O-OG 3.23Å; L8-S11 WeakPolarHBondContact O-CB 3.06Å; L8-S11 PolarHBondContact O-N 2.94Å; P9-S11 VanDerWaalsContact C-N 3.27Å; P9-S11 PolarHBondContact O-N 3.11Å; S11-E13 VanDerWaalsContact C-N 3.34Å; S11-K14 WeakPolarHBondContact O-CB 3.45Å; S11-K14 PolarHBondContact O-N 3.09Å; S11-L15 WeakPolarHBondContact O-CG 3.44Å; S11-L15 PolarHBondContact O-N 3.17Å; S11-L15 VanDerWaalsContact O-N 3.09Å
12L95.6Very high88.5Confident11 Ų1176.5 Ų76.56%0.05836%0.356CS..Hα-helixtrans-61.9-40172.5-68.4168.9000111.7L8 P9 K14 L15 K16 R17 E20 A21 E24L8-L12 HydrophobicContact CD1-CD1 4.28Å; L8-L12 HydrophobicContact CD1-CG 4.31Å; L8-L12 HydrophobicContact CG-CD1 4.13Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.35Å; P9-L12 WeakPolarHBondContact O-CB 3.45Å; P9-L12 PolarHBondContact O-N 2.63Å; L12-K14 PolarHBondContact O-N 3.14Å; L12-L15 CarbonylContact O-C 3.52Å; L12-L15 PolarHBondContact O-N 3.49Å; L12-L15 VanDerWaalsContact O-N 3.14Å; L12-K16 PolarHBondContact O-N 3.18Å; L12-R17 HydrophobicContact CB-CB 4.24Å; L12-R17 HydrophobicContact CD2-CB 4.12Å; L12-R17 PolarHBondContact O-N 3.05Å; L12-E20 HydrophobicContact CD1-CB 4.01Å; L12-E20 HydrophobicContact CD2-CB 4.4Å; L12-A21 HydrophobicContact CB-CB 3.77Å; L12-E24 HydrophobicContact CD1-CB 4.49Å; L12-E24 HydrophobicContact CD1-CG 3.65Å
13E95.1Very high89.4Confident21 Ų2177.6 Ų77.610%0.09836%0.363CS..Hα-helixtrans-61.3-42.4173.5-68.3-179.8137.100112.3P9 S11 L15 K16 Y18 A21 F25 R47 N51P9-E13 WeakPolarHBondContact O-CG 3.32Å; P9-E13 PolarHBondContact O-N 3.47Å; S11-E13 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.96Å; E13-K16 WeakPolarHBondContact O-CA 3.3Å; E13-K16 PolarHBondContact O-N 3.18Å; E13-Y18 HydrophobicContact CG-CD1 4.47Å; E13-A21 HydrophobicContact CG-CB 3.55Å; E13-F25 HydrophobicContact CG-CE2 4.4Å; E13-F25 WeakPolarHBondContact OE1-CE2 3.44Å; E13-R47 VanDerWaalsContact CD-NE 3.31Å; E13-R47 IonicContact OE1-CZ 3.81Å; E13-R47 IonicContact OE1-NE 2.8Å; E13-R47 PolarHBondContact OE1-NE 2.93Å; E13-R47 IonicContact OE1-NH2 2.94Å; E13-R47 PolarHBondContact OE1-NH2 3.33Å; E13-R47 IonicContact OE2-CZ 2.6Å; E13-R47 IonicContact OE2-NE 2.66Å; E13-R47 PolarHBondContact OE2-NE 2.91Å; E13-R47 IonicContact OE2-NH2 3.81Å; E13-R47 PolarHBondContact OE2-NH2 3.31Å; E13-N51 PolarHBondContact OE1-ND2 3Å; E13-N51 PolarHBondContact OE1-OD1 3.02Å; E13-N51 VanDerWaalsContact OE1-OD1 3.11Å
14K94.3Very high90.5Very high179 Ų17970.2 Ų70.278%0.77834%0.337SS*.Hα-helixtrans-62-31.9174.6-72.3177.6-178.8-179.20112.5Q10 S11 L12 K16Q10-K14 WeakPolarHBondContact O-CG 3.47Å; Q10-K14 PolarHBondContact O-N 3.34Å; Q10-K14 VanDerWaalsContact O-N 3.17Å; S11-K14 WeakPolarHBondContact O-CB 3.45Å; S11-K14 PolarHBondContact O-N 3.09Å; L12-K14 PolarHBondContact O-N 3.14Å; K14-K16 PolarHBondContact O-N 3.26Å
15L95.9Very high91.4Very high115 Ų11566.9 Ų66.960%0.60231%0.309SS*.THydrogen-bonded Turntrans-83.26.6174.1-63.8175.3000113.3S11 L12 E13 R17S11-L15 WeakPolarHBondContact O-CG 3.44Å; S11-L15 PolarHBondContact O-N 3.17Å; S11-L15 VanDerWaalsContact O-N 3.09Å; L12-L15 CarbonylContact O-C 3.52Å; L12-L15 PolarHBondContact O-N 3.49Å; L12-L15 VanDerWaalsContact O-N 3.14Å; E13-L15 PolarHBondContact O-N 2.96Å; L15-R17 HydrophobicContact CB-CG 4.18Å; L15-R17 PolarHBondContact O-N 3.46Å
16K93.6Very high91.4Very high164 Ų16465.4 Ų65.471%0.71331%0.306SS*.THydrogen-bonded Turntrans59.121.1-175.3-54.3-178.4-180179.90114.1L12 E13 K14 Y18L12-K16 PolarHBondContact O-N 3.18Å; E13-K16 WeakPolarHBondContact O-CA 3.3Å; E13-K16 PolarHBondContact O-N 3.18Å; K14-K16 PolarHBondContact O-N 3.26Å; K16-Y18 VanDerWaalsContact C-N 3.27Å; K16-Y18 HydrophobicContact CB-CD2 4.46Å; K16-Y18 HydrophobicContact CB-CE2 3.78Å; K16-Y18 HydrophobicContact CG-CE2 4.31Å; K16-Y18 VanDerWaalsContact O-CD2 3.24Å; K16-Y18 WeakPolarHBondContact O-CD2 3.38Å; K16-Y18 PolarHBondContact O-N 2.77Å; K16-Y18 VanDerWaalsContact O-N 3.16Å
17R95Very high91.5Very high111 Ų11170.6 Ų70.642%0.41932%0.324SS..  trans-88.960.9176.5-66.7170.771179.84.9110L12 L15 K19 E20 A21L12-R17 HydrophobicContact CB-CB 4.24Å; L12-R17 HydrophobicContact CD2-CB 4.12Å; L12-R17 PolarHBondContact O-N 3.05Å; L15-R17 HydrophobicContact CB-CG 4.18Å; L15-R17 PolarHBondContact O-N 3.46Å; R17-K19 VanDerWaalsContact C-N 3.33Å; R17-K19 PolarHBondContact O-N 3.25Å; R17-E20 HydrophobicContact CB-CB 4.48Å; R17-E20 IonicContact CZ-OE1 3.71Å; R17-E20 IonicContact CZ-OE2 2.93Å; R17-E20 IonicContact NE-OE1 3.99Å; R17-E20 PolarHBondContact NE-OE1 3.43Å; R17-E20 IonicContact NE-OE2 3.05Å; R17-E20 VanDerWaalsContact NH2-CD 3.25Å; R17-E20 IonicContact NH2-OE1 2.64Å; R17-E20 PolarHBondContact NH2-OE1 2.82Å; R17-E20 IonicContact NH2-OE2 3.39Å; R17-E20 PolarHBondContact NH2-OE2 3.31Å; R17-E20 PolarHBondContact O-N 2.63Å; R17-A21 WeakPolarHBondContact O-CB 3.18Å; R17-A21 PolarHBondContact O-N 3.07Å
18Y92.9Very high91.3Very high52 Ų5264.6 Ų64.620%0.20430%0.298CS..Hα-helixtrans-66.5-30.6-169.9-58.9-72.6000114.4E13 K16 T22 H55E13-Y18 HydrophobicContact CG-CD1 4.47Å; K16-Y18 VanDerWaalsContact C-N 3.27Å; K16-Y18 HydrophobicContact CB-CD2 4.46Å; K16-Y18 HydrophobicContact CB-CE2 3.78Å; K16-Y18 HydrophobicContact CG-CE2 4.31Å; K16-Y18 VanDerWaalsContact O-CD2 3.24Å; K16-Y18 WeakPolarHBondContact O-CD2 3.38Å; K16-Y18 PolarHBondContact O-N 2.77Å; K16-Y18 VanDerWaalsContact O-N 3.16Å; Y18-T22 WeakPolarHBondContact O-CB 3.49Å; Y18-T22 PolarHBondContact O-N 2.96Å; Y18-T22 PolarHBondContact O-OG1 3.05Å; Y18-H55 HydrophobicContact CD1-CB 3.75Å; Y18-H55 AromaticContact CD1-CD2 3.37Å; Y18-H55 WeakPolarHBondContact CD1-CD2 3.46Å; Y18-H55 AromaticContact CD1-CG 3.5Å; Y18-H55 VanDerWaalsContact CD1-CG 3.5Å; Y18-H55 AromaticContact CD1-NE2 4Å; Y18-H55 HydrophobicContact CD2-CB 3.54Å; Y18-H55 AromaticContact CD2-CG 3.82Å; Y18-H55 HydrophobicContact CE1-CB 4.18Å; Y18-H55 AromaticContact CE1-CD2 3.27Å; Y18-H55 WeakPolarHBondContact CE1-CD2 3Å; Y18-H55 AromaticContact CE1-CE1 3.65Å; Y18-H55 AromaticContact CE1-CG 3.47Å; Y18-H55 VanDerWaalsContact CE1-CG 3.47Å; Y18-H55 AromaticContact CE1-ND1 3.69Å; Y18-H55 AromaticContact CE1-NE2 3.4Å; Y18-H55 WeakPolarHBondContact CE1-NE2 3.42Å; Y18-H55 HydrophobicContact CE2-CB 3.97Å; Y18-H55 AromaticContact CE2-CG 3.77Å; Y18-H55 AromaticContact CE2-ND1 3.63Å; Y18-H55 HydrophobicContact CG-CB 3.4Å; Y18-H55 AromaticContact CG-CG 3.67Å; Y18-H55 AromaticContact CZ-CD2 3.83Å; Y18-H55 AromaticContact CZ-CE1 3.51Å; Y18-H55 AromaticContact CZ-CG 3.59Å; Y18-H55 AromaticContact CZ-ND1 3.38Å; Y18-H55 AromaticContact CZ-NE2 3.78Å; Y18-H55 PolarHBondContact OH-CE1 3.42Å
19K91.6Very high90.5Very high135 Ų13562 Ų6259%0.58728%0.284SS*.Hα-helixtrans-63-52.1176.3-175.9-175.5174.2-169.20109.8R17 T22 D23 L56R17-K19 VanDerWaalsContact C-N 3.33Å; R17-K19 PolarHBondContact O-N 3.25Å; K19-T22 WeakPolarHBondContact O-CB 3.5Å; K19-T22 PolarHBondContact O-N 3.47Å; K19-D23 VanDerWaalsContact O-CG 3.29Å; K19-D23 PolarHBondContact O-N 2.65Å; K19-L56 HydrophobicContact CB-CD2 4.04Å
20E93.6Very high89.5Confident78 Ų7865.8 Ų65.836%0.36431%0.311SS..Hα-helixtrans-66.9-40.3-178.9-59.4175.1-97.700111.1L12 R17 T22 D23 E24L12-E20 HydrophobicContact CD1-CB 4.01Å; L12-E20 HydrophobicContact CD2-CB 4.4Å; R17-E20 HydrophobicContact CB-CB 4.48Å; R17-E20 IonicContact CZ-OE1 3.71Å; R17-E20 IonicContact CZ-OE2 2.93Å; R17-E20 IonicContact NE-OE1 3.99Å; R17-E20 PolarHBondContact NE-OE1 3.43Å; R17-E20 IonicContact NE-OE2 3.05Å; R17-E20 VanDerWaalsContact NH2-CD 3.25Å; R17-E20 IonicContact NH2-OE1 2.64Å; R17-E20 PolarHBondContact NH2-OE1 2.82Å; R17-E20 IonicContact NH2-OE2 3.39Å; R17-E20 PolarHBondContact NH2-OE2 3.31Å; R17-E20 PolarHBondContact O-N 2.63Å; E20-T22 VanDerWaalsContact C-N 3.28Å; E20-T22 PolarHBondContact O-N 3.15Å; E20-D23 PolarHBondContact O-N 2.8Å; E20-E24 VanDerWaalsContact O-CG 3.31Å; E20-E24 WeakPolarHBondContact O-CG 3.46Å; E20-E24 PolarHBondContact O-N 3.07Å
21A93.3Very high88.6Confident0 Ų065.1 Ų65.10%032%0.317CS..Hα-helixtrans-57-42.5172.900000112.4P9 L12 E13 R17 E24 F25P9-A21 WeakPolarHBondContact O-CB 3.38Å; L12-A21 HydrophobicContact CB-CB 3.77Å; E13-A21 HydrophobicContact CG-CB 3.55Å; R17-A21 WeakPolarHBondContact O-CB 3.18Å; R17-A21 PolarHBondContact O-N 3.07Å; A21-E24 PolarHBondContact O-N 3.35Å; A21-F25 WeakPolarHBondContact O-CD2 3.45Å; A21-F25 PolarHBondContact O-N 3.2Å
22T90Very high87.5Confident1 Ų162.7 Ų62.71%0.00630%0.3CS..Hα-helixtrans-65-44.7176.6-64.90000111.6Y18 K19 E20 E24 F25 I26 I48 N51 Y52Y18-T22 WeakPolarHBondContact O-CB 3.49Å; Y18-T22 PolarHBondContact O-N 2.96Å; Y18-T22 PolarHBondContact O-OG1 3.05Å; K19-T22 WeakPolarHBondContact O-CB 3.5Å; K19-T22 PolarHBondContact O-N 3.47Å; E20-T22 VanDerWaalsContact C-N 3.28Å; E20-T22 PolarHBondContact O-N 3.15Å; T22-E24 VanDerWaalsContact C-N 3.28Å; T22-E24 PolarHBondContact O-N 2.6Å; T22-F25 PolarHBondContact O-N 2.91Å; T22-I26 HydrophobicContact CG2-CD1 3.82Å; T22-I26 HydrophobicContact CG2-CG1 4.41Å; T22-I26 VanDerWaalsContact O-CG1 3.3Å; T22-I26 WeakPolarHBondContact O-CG1 3.47Å; T22-I26 PolarHBondContact O-N 3.38Å; T22-I48 HydrophobicContact CG2-CG2 4.15Å; T22-N51 WeakPolarHBondContact OG1-CB 3.1Å; T22-N51 PolarHBondContact OG1-ND2 2.93Å; T22-Y52 HydrophobicContact CG2-CD2 4.12Å; T22-Y52 HydrophobicContact CG2-CE2 3.59Å
23D88.5Confident86.2Confident81 Ų8165.6 Ų65.643%0.43332%0.316SS..Hα-helixtrans-59.9-41.1177.4-63.4-23.3000110.7K19 E20 I26 W27K19-D23 VanDerWaalsContact O-CG 3.29Å; K19-D23 PolarHBondContact O-N 2.65Å; E20-D23 PolarHBondContact O-N 2.8Å; D23-I26 PolarHBondContact O-N 3.4Å; D23-W27 WeakPolarHBondContact O-CB 3.24Å; D23-W27 PolarHBondContact O-N 3.05Å
24E90.6Very high84.8Confident46 Ų4665.2 Ų65.222%0.21532%0.315CS..Hα-helixtrans-67.8-39.6175.7-68.3-56.8159.100113.3Y5 L8 P9 L12 E20 A21 T22 W27 L28Y5-E24 WeakPolarHBondContact CE1-OE2 3.44Å; Y5-E24 PolarHBondContact OH-OE2 3.24Å; L8-E24 HydrophobicContact CD2-CG 4.05Å; L8-E24 HydrophobicContact CG-CG 4.31Å; P9-E24 HydrophobicContact CB-CB 3.89Å; P9-E24 HydrophobicContact CG-CB 4.44Å; L12-E24 HydrophobicContact CD1-CB 4.49Å; L12-E24 HydrophobicContact CD1-CG 3.65Å; E20-E24 VanDerWaalsContact O-CG 3.31Å; E20-E24 WeakPolarHBondContact O-CG 3.46Å; E20-E24 PolarHBondContact O-N 3.07Å; A21-E24 PolarHBondContact O-N 3.35Å; T22-E24 VanDerWaalsContact C-N 3.28Å; T22-E24 PolarHBondContact O-N 2.6Å; E24-W27 PolarHBondContact O-N 3.2Å; E24-L28 WeakPolarHBondContact O-CG 3.24Å; E24-L28 PolarHBondContact O-N 2.7Å
25F88.3Confident83.6Confident0 Ų060.7 Ų60.70%031%0.306CS..Hα-helixtrans-64.4-43.2173.4-77.2-57.1000111.5P9 Q10 E13 A21 T22 W27 L28 I29 W44 R47 I48P9-F25 HydrophobicContact CB-CD1 3.79Å; P9-F25 HydrophobicContact CB-CD2 3.84Å; P9-F25 HydrophobicContact CB-CE1 3.65Å; P9-F25 HydrophobicContact CB-CE2 3.68Å; P9-F25 HydrophobicContact CB-CG 3.88Å; P9-F25 HydrophobicContact CB-CZ 3.59Å; P9-F25 HydrophobicContact CG-CD1 3.74Å; P9-F25 HydrophobicContact CG-CE1 3.52Å; P9-F25 HydrophobicContact CG-CE2 4.47Å; P9-F25 HydrophobicContact CG-CG 4.31Å; P9-F25 HydrophobicContact CG-CZ 3.93Å; Q10-F25 HydrophobicContact CG-CZ 4.39Å; E13-F25 HydrophobicContact CG-CE2 4.4Å; E13-F25 WeakPolarHBondContact OE1-CE2 3.44Å; A21-F25 WeakPolarHBondContact O-CD2 3.45Å; A21-F25 PolarHBondContact O-N 3.2Å; T22-F25 PolarHBondContact O-N 2.91Å; F25-W27 VanDerWaalsContact C-N 3.3Å; F25-W27 PolarHBondContact O-N 3.39Å; F25-L28 PolarHBondContact O-N 3.44Å; F25-I29 WeakPolarHBondContact O-CD1 3.16Å; F25-I29 WeakPolarHBondContact O-CG1 3.31Å; F25-I29 PolarHBondContact O-N 3.22Å; F25-W44 HydrophobicContact CD1-CB 3.73Å; F25-W44 AromaticContact CD1-CD1 3.79Å; F25-W44 AromaticContact CD1-CG 3.82Å; F25-W44 HydrophobicContact CD1-CG 3.82Å; F25-W44 HydrophobicContact CE1-CB 4.27Å; F25-W44 AromaticContact CE1-CD1 3.61Å; F25-W44 HydrophobicContact CE1-CG 4.11Å; F25-W44 HydrophobicContact CG-CB 4.5Å; F25-R47 HydrophobicContact CD2-CB 3.93Å; F25-R47 HydrophobicContact CE1-CB 4.24Å; F25-R47 HydrophobicContact CE1-CG 4.38Å; F25-R47 HydrophobicContact CE2-CB 3.38Å; F25-R47 HydrophobicContact CE2-CG 4.03Å; F25-R47 HydrophobicContact CZ-CB 3.56Å; F25-R47 HydrophobicContact CZ-CG 3.71Å; F25-I48 HydrophobicContact CB-CD1 3.68Å; F25-I48 HydrophobicContact CB-CG1 3.44Å; F25-I48 VanDerWaalsContact CB-CG1 3.44Å; F25-I48 HydrophobicContact CD2-CG1 4.39Å; F25-I48 HydrophobicContact CG-CG1 4.22Å
26I82.1Confident82.3Confident46 Ų4658.3 Ų58.324%0.23629%0.293CS..Hα-helixtrans-60.3-43.9175.7-69.8168.9000109.6T22 D23 I29 S30 I48 F64T22-I26 HydrophobicContact CG2-CD1 3.82Å; T22-I26 HydrophobicContact CG2-CG1 4.41Å; T22-I26 VanDerWaalsContact O-CG1 3.3Å; T22-I26 WeakPolarHBondContact O-CG1 3.47Å; T22-I26 PolarHBondContact O-N 3.38Å; D23-I26 PolarHBondContact O-N 3.4Å; I26-I29 PolarHBondContact O-N 3.34Å; I26-S30 WeakPolarHBondContact O-CB 3.31Å; I26-S30 PolarHBondContact O-N 3.01Å; I26-S30 PolarHBondContact O-OG 2.93Å; I26-S30 VanDerWaalsContact O-OG 3.1Å; I26-I48 HydrophobicContact CG1-CD1 3.81Å; I26-I48 HydrophobicContact CG1-CG1 4.37Å; I26-F64 HydrophobicContact CD1-CZ 4.33Å
27W83.6Confident81.4Confident124 Ų12452.3 Ų52.347%0.4727%0.268SS..Hα-helixtrans-61-46.6176-176.788.5000112.2Y5 D23 E24 F25 I29 S30 A31Y5-W27 AromaticContact CD1-CE3 3.98Å; Y5-W27 HydrophobicContact CD1-CE3 3.98Å; Y5-W27 AromaticContact CD1-CZ3 3.61Å; Y5-W27 HydrophobicContact CD1-CZ3 3.61Å; Y5-W27 HydrophobicContact CE1-CD2 4.49Å; Y5-W27 AromaticContact CE1-CE3 3.54Å; Y5-W27 HydrophobicContact CE1-CE3 3.54Å; Y5-W27 HydrophobicContact CE1-CH2 4.45Å; Y5-W27 AromaticContact CE1-CZ3 3.52Å; Y5-W27 HydrophobicContact CE1-CZ3 3.52Å; Y5-W27 HydrophobicContact CG-CZ3 4.3Å; D23-W27 WeakPolarHBondContact O-CB 3.24Å; D23-W27 PolarHBondContact O-N 3.05Å; E24-W27 PolarHBondContact O-N 3.2Å; F25-W27 VanDerWaalsContact C-N 3.3Å; F25-W27 PolarHBondContact O-N 3.39Å; W27-I29 PolarHBondContact O-N 3.18Å; W27-S30 PolarHBondContact O-N 2.92Å; W27-A31 HydrophobicContact CD2-CB 3.97Å; W27-A31 HydrophobicContact CE3-CB 4.46Å; W27-A31 HydrophobicContact CG-CB 4.4Å; W27-A31 HydrophobicContact CH2-CB 4.37Å; W27-A31 HydrophobicContact CZ2-CB 3.86Å; W27-A31 WeakPolarHBondContact O-CB 3.45Å; W27-A31 PolarHBondContact O-N 3.33Å
28L82.6Confident80.2Confident0 Ų050.6 Ų50.60%027%0.271CS..Hα-helixtrans-56.8-38.1176.2-81.5170.7000112.2I2 Y5 T6 P9 E24 F25 C32 W44I2-L28 HydrophobicContact CG2-CD2 4.12Å; Y5-L28 HydrophobicContact CD1-CD2 3.86Å; Y5-L28 HydrophobicContact CD1-CG 4.21Å; T6-L28 HydrophobicContact CG2-CD2 4.45Å; P9-L28 HydrophobicContact CG-CD1 3.85Å; E24-L28 WeakPolarHBondContact O-CG 3.24Å; E24-L28 PolarHBondContact O-N 2.7Å; F25-L28 PolarHBondContact O-N 3.44Å; L28-C32 WeakPolarHBondContact O-CB 3.4Å; L28-C32 PolarHBondContact O-N 3.35Å; L28-C32 PolarHBondContact O-SG 3.21Å; L28-W44 HydrophobicContact CB-CD2 4.45Å; L28-W44 HydrophobicContact CB-CE3 3.95Å; L28-W44 HydrophobicContact CB-CH2 4.42Å; L28-W44 HydrophobicContact CB-CZ3 3.91Å; L28-W44 HydrophobicContact CD1-CD2 4.46Å; L28-W44 HydrophobicContact CD1-CZ2 4.46Å; L28-W44 HydrophobicContact CD2-CH2 4.44Å
29I76.4Confident79.4Confident8 Ų859.7 Ų59.74%0.04131%0.305CS..Hα-helixtrans-72.5-42.1178.4-77.9156.8000112.2F25 I26 W27 R41 W44 Y45 I48 A71F25-I29 WeakPolarHBondContact O-CD1 3.16Å; F25-I29 WeakPolarHBondContact O-CG1 3.31Å; F25-I29 PolarHBondContact O-N 3.22Å; I26-I29 PolarHBondContact O-N 3.34Å; W27-I29 PolarHBondContact O-N 3.18Å; I29-R41 PolarHBondContact O-NH2 3.36Å; I29-W44 HydrophobicContact CD1-CB 3.97Å; I29-W44 HydrophobicContact CG1-CB 4.39Å; I29-W44 HydrophobicContact CG1-CE3 4.08Å; I29-Y45 HydrophobicContact CB-CE1 4.19Å; I29-Y45 HydrophobicContact CD1-CD1 3.36Å; I29-Y45 HydrophobicContact CD1-CE1 3.13Å; I29-Y45 HydrophobicContact CD1-CG 4.26Å; I29-Y45 HydrophobicContact CG1-CD1 4.22Å; I29-Y45 HydrophobicContact CG1-CE1 3.53Å; I29-Y45 HydrophobicContact CG2-CE1 3.63Å; I29-Y45 WeakPolarHBondContact CG2-OH 3.32Å; I29-I48 HydrophobicContact CD1-CD1 3.33Å; I29-A71 HydrophobicContact CG2-CB 3.81Å
30S71.2Confident78.7Confident80 Ų8058.4 Ų58.456%0.55930%0.3SS*.Hα-helixtrans-82.6-34.4-175.1-59.90000112.9I26 W27I26-S30 WeakPolarHBondContact O-CB 3.31Å; I26-S30 PolarHBondContact O-N 3.01Å; I26-S30 PolarHBondContact O-OG 2.93Å; I26-S30 VanDerWaalsContact O-OG 3.1Å; W27-S30 PolarHBondContact O-N 2.92Å
31A73.6Confident77.8Confident58 Ų5854.7 Ų54.748%0.47928%0.283SS..Hα-helixtrans-89.9-29.1-173.600000113.6W27W27-A31 HydrophobicContact CD2-CB 3.97Å; W27-A31 HydrophobicContact CE3-CB 4.46Å; W27-A31 HydrophobicContact CG-CB 4.4Å; W27-A31 HydrophobicContact CH2-CB 4.37Å; W27-A31 HydrophobicContact CZ2-CB 3.86Å; W27-A31 WeakPolarHBondContact O-CB 3.45Å; W27-A31 PolarHBondContact O-N 3.33Å
32C69.4Low76.9Confident7 Ų756.6 Ų56.65%0.04730%0.302CS..SBendtrans-81.5134.5178.6-61.50000110.1I2 L28 I36 R41I2-C32 VanDerWaalsContact CG2-SG 3.51Å; L28-C32 WeakPolarHBondContact O-CB 3.4Å; L28-C32 PolarHBondContact O-N 3.35Å; L28-C32 PolarHBondContact O-SG 3.21Å; C32-I36 HydrophobicContact CB-CB 4.46Å; C32-R41 PolarHBondContact O-NH1 3.16Å; C32-R41 PolarHBondContact O-NH2 2.87Å
33D68.2Low76.4Confident72 Ų7258.6 Ų58.639%0.38532%0.316SS..  trans-49.8133.3164.4-177.5-47.5000109.6S35 I36 R41D33-S35 PolarHBondContact O-N 2.72Å; D33-S35 VanDerWaalsContact OD1-CB 3.24Å; D33-S35 WeakPolarHBondContact OD1-CB 3.44Å; D33-S35 PolarHBondContact OD1-N 3.45Å; D33-S35 PolarHBondContact OD1-OG 2.81Å; D33-I36 HydrophobicContact CB-CD1 3.87Å; D33-I36 HydrophobicContact CB-CG1 4.02Å; D33-I36 WeakPolarHBondContact O-CA 3.39Å; D33-I36 WeakPolarHBondContact O-CB 3.4Å; D33-I36 PolarHBondContact O-N 3.21Å; D33-R41 PolarHBondContact O-NH1 3.23Å
34P66.9Low76.3Confident13 Ų1354.9 Ų54.98%0.08430%0.296CS..THydrogen-bonded Turntrans-47.5-30.9176.2-31.938.1000115I36 R41P34-I36 VanDerWaalsContact C-N 3.28Å; P34-I36 PolarHBondContact O-N 2.89Å; P34-R41 VanDerWaalsContact CA-NH1 3.29Å
35S69.3Low75.7Confident83 Ų8353.4 Ų53.458%0.5829%0.288SS*.THydrogen-bonded Turntrans-71-18.1175.668.30000114.2D33 M37 P38D33-S35 PolarHBondContact O-N 2.72Å; D33-S35 VanDerWaalsContact OD1-CB 3.24Å; D33-S35 WeakPolarHBondContact OD1-CB 3.44Å; D33-S35 PolarHBondContact OD1-N 3.45Å; D33-S35 PolarHBondContact OD1-OG 2.81Å; S35-M37 PolarHBondContact O-N 3.37Å; S35-P38 WeakPolarHBondContact O-CD 3.1Å
36I68.3Low75.3Confident66 Ų6659.3 Ų59.334%0.33832%0.316SS..SBendtrans-86111.2176.7-60.7173.2000108.6I2 C32 D33 P34 R41I2-I36 HydrophobicContact CD1-CD1 4.3Å; I2-I36 HydrophobicContact CD1-CG2 4.15Å; C32-I36 HydrophobicContact CB-CB 4.46Å; D33-I36 HydrophobicContact CB-CD1 3.87Å; D33-I36 HydrophobicContact CB-CG1 4.02Å; D33-I36 WeakPolarHBondContact O-CA 3.39Å; D33-I36 WeakPolarHBondContact O-CB 3.4Å; D33-I36 PolarHBondContact O-N 3.21Å; P34-I36 VanDerWaalsContact C-N 3.28Å; P34-I36 PolarHBondContact O-N 2.89Å; I36-R41 PolarHBondContact O-NH1 2.93Å; I36-R41 VanDerWaalsContact O-NH1 3.15Å
37M74.5Confident75.6Confident37 Ų3760.7 Ų60.718%0.18232%0.318CS..SBendtrans56.551.8-179.6-60.7-176-79.900115.3I2 R3 T6 S35 R39 K40 R41 W44I2-M37 HydrophobicContact CB-CE 4.06Å; I2-M37 HydrophobicContact CG2-CE 3.29Å; R3-M37 HydrophobicContact CG-SD 3.9Å; T6-M37 HydrophobicContact CG2-CE 3.63Å; T6-M37 HydrophobicContact CG2-SD 3.9Å; S35-M37 PolarHBondContact O-N 3.37Å; M37-R39 PolarHBondContact O-N 3.25Å; M37-R39 VanDerWaalsContact O-N 3.11Å; M37-K40 HydrophobicContact CB-CB 4.21Å; M37-K40 HydrophobicContact CB-CG 4.39Å; M37-K40 PolarHBondContact O-N 3.23Å; M37-R41 PolarHBondContact O-N 3.03Å; M37-W44 HydrophobicContact CB-CH2 4.24Å; M37-W44 HydrophobicContact CE-CH2 3.81Å; M37-W44 HydrophobicContact CE-CZ2 4.17Å; M37-W44 HydrophobicContact SD-CH2 4.49Å; M37-W44 HydrophobicContact SD-CZ2 4.44Å
38P70.1Confident75.7Confident75 Ų7554.8 Ų54.849%0.48730%0.296SS..Hα-helixtrans-55.2-37.7-178.623.1-34.5000112.2S35 K40 R41S35-P38 WeakPolarHBondContact O-CD 3.1Å; P38-K40 VanDerWaalsContact C-N 3.25Å; P38-K40 PolarHBondContact O-N 3.29Å; P38-R41 PolarHBondContact O-N 2.89Å
39R74.3Confident75.7Confident243 Ų24356.3 Ų56.392%0.91731%0.305SS*.Hα-helixtrans-64.6-21.5178.8-60.4-171.9-175.3-147.11114.7M37M37-R39 PolarHBondContact O-N 3.25Å; M37-R39 VanDerWaalsContact O-N 3.11Å
40K77.4Confident76.1Confident108 Ų10858.2 Ų58.247%0.4732%0.315SS..Hα-helixtrans-93.1-23.5179.8-70.4-66-172.4-178.70112.9M37 P38 G42 S43 W44M37-K40 HydrophobicContact CB-CB 4.21Å; M37-K40 HydrophobicContact CB-CG 4.39Å; M37-K40 PolarHBondContact O-N 3.23Å; P38-K40 VanDerWaalsContact C-N 3.25Å; P38-K40 PolarHBondContact O-N 3.29Å; K40-G42 VanDerWaalsContact C-N 3.33Å; K40-G42 PolarHBondContact O-N 3.47Å; K40-S43 PolarHBondContact O-N 3.1Å; K40-S43 VanDerWaalsContact O-N 3.07Å; K40-S43 PolarHBondContact O-OG 2.75Å; K40-W44 HydrophobicContact CB-CD2 4.41Å; K40-W44 HydrophobicContact CB-CH2 4.21Å; K40-W44 HydrophobicContact CB-CZ2 3.5Å; K40-W44 VanDerWaalsContact CB-CZ2 3.5Å; K40-W44 HydrophobicContact CG-CZ2 4.37Å; K40-W44 PolarHBondContact O-N 3.11Å
41R75.9Confident77Confident1 Ų154.4 Ų54.40%0.00429%0.288CS..Hα-helixtrans-58.8-45-176.2-54.9-172.2101100.5-9111.5I29 C32 D33 P34 I36 M37 P38 S43 W44 Y45 T72I29-R41 PolarHBondContact O-NH2 3.36Å; C32-R41 PolarHBondContact O-NH1 3.16Å; C32-R41 PolarHBondContact O-NH2 2.87Å; D33-R41 PolarHBondContact O-NH1 3.23Å; P34-R41 VanDerWaalsContact CA-NH1 3.29Å; I36-R41 PolarHBondContact O-NH1 2.93Å; I36-R41 VanDerWaalsContact O-NH1 3.15Å; M37-R41 PolarHBondContact O-N 3.03Å; P38-R41 PolarHBondContact O-N 2.89Å; R41-S43 VanDerWaalsContact C-N 3.3Å; R41-S43 PolarHBondContact O-N 2.95Å; R41-W44 HydrophobicContact CB-CE3 4.44Å; R41-W44 HydrophobicContact CG-CE3 4.18Å; R41-W44 HydrophobicContact CG-CZ3 4.07Å; R41-W44 WeakPolarHBondContact O-CA 3.08Å; R41-W44 WeakPolarHBondContact O-CB 3.45Å; R41-W44 PolarHBondContact O-N 3.41Å; R41-Y45 VanDerWaalsContact C-CE2 3.49Å; R41-Y45 HydrophobicContact CB-CD2 4.38Å; R41-Y45 HydrophobicContact CB-CE2 3.59Å; R41-Y45 WeakPolarHBondContact O-CD2 3.27Å; R41-Y45 VanDerWaalsContact O-CE2 3.32Å; R41-Y45 WeakPolarHBondContact O-CE2 3.37Å; R41-Y45 PolarHBondContact O-N 3.15Å; R41-T72 HydrophobicContact CB-CG2 4.24Å
42G72.9Confident77.5Confident39 Ų3953.6 Ų53.640%0.40227%0.274SS..Hα-helixtrans-46.1-51.4172.200000113.1K40 W44 Y45 E46K40-G42 VanDerWaalsContact C-N 3.33Å; K40-G42 PolarHBondContact O-N 3.47Å; G42-W44 PolarHBondContact O-N 3.43Å; G42-Y45 PolarHBondContact O-N 2.94Å; G42-E46 PolarHBondContact O-N 2.97Å; G42-E46 VanDerWaalsContact O-N 3.16Å
43S80.9Confident78.1Confident44 Ų4456.9 Ų56.931%0.30829%0.288SS..Hα-helixtrans-65.1-37.3177.570.40000113.3K40 R41 Y45 E46 R47K40-S43 PolarHBondContact O-N 3.1Å; K40-S43 VanDerWaalsContact O-N 3.07Å; K40-S43 PolarHBondContact O-OG 2.75Å; R41-S43 VanDerWaalsContact C-N 3.3Å; R41-S43 PolarHBondContact O-N 2.95Å; S43-Y45 VanDerWaalsContact C-N 3.35Å; S43-E46 PolarHBondContact O-N 3.34Å; S43-R47 VanDerWaalsContact O-CG 3.31Å; S43-R47 WeakPolarHBondContact O-CG 3.41Å; S43-R47 PolarHBondContact O-N 2.83Å
44W85.4Confident79Confident3 Ų359.2 Ų59.21%0.01130%0.297CS..Hα-helixtrans-65.8-38.6177.5-57.7-20.8000111.8T6 F25 L28 I29 M37 K40 R41 G42 R47 I48T6-W44 HydrophobicContact CG2-CH2 4.09Å; T6-W44 HydrophobicContact CG2-CZ2 3.38Å; F25-W44 HydrophobicContact CD1-CB 3.73Å; F25-W44 AromaticContact CD1-CD1 3.79Å; F25-W44 AromaticContact CD1-CG 3.82Å; F25-W44 HydrophobicContact CD1-CG 3.82Å; F25-W44 HydrophobicContact CE1-CB 4.27Å; F25-W44 AromaticContact CE1-CD1 3.61Å; F25-W44 HydrophobicContact CE1-CG 4.11Å; F25-W44 HydrophobicContact CG-CB 4.5Å; L28-W44 HydrophobicContact CB-CD2 4.45Å; L28-W44 HydrophobicContact CB-CE3 3.95Å; L28-W44 HydrophobicContact CB-CH2 4.42Å; L28-W44 HydrophobicContact CB-CZ3 3.91Å; L28-W44 HydrophobicContact CD1-CD2 4.46Å; L28-W44 HydrophobicContact CD1-CZ2 4.46Å; L28-W44 HydrophobicContact CD2-CH2 4.44Å; I29-W44 HydrophobicContact CD1-CB 3.97Å; I29-W44 HydrophobicContact CG1-CB 4.39Å; I29-W44 HydrophobicContact CG1-CE3 4.08Å; M37-W44 HydrophobicContact CB-CH2 4.24Å; M37-W44 HydrophobicContact CE-CH2 3.81Å; M37-W44 HydrophobicContact CE-CZ2 4.17Å; M37-W44 HydrophobicContact SD-CH2 4.49Å; M37-W44 HydrophobicContact SD-CZ2 4.44Å; K40-W44 HydrophobicContact CB-CD2 4.41Å; K40-W44 HydrophobicContact CB-CH2 4.21Å; K40-W44 HydrophobicContact CB-CZ2 3.5Å; K40-W44 VanDerWaalsContact CB-CZ2 3.5Å; K40-W44 HydrophobicContact CG-CZ2 4.37Å; K40-W44 PolarHBondContact O-N 3.11Å; R41-W44 HydrophobicContact CB-CE3 4.44Å; R41-W44 HydrophobicContact CG-CE3 4.18Å; R41-W44 HydrophobicContact CG-CZ3 4.07Å; R41-W44 WeakPolarHBondContact O-CA 3.08Å; R41-W44 WeakPolarHBondContact O-CB 3.45Å; R41-W44 PolarHBondContact O-N 3.41Å; G42-W44 PolarHBondContact O-N 3.43Å; W44-R47 PolarHBondContact O-N 3.19Å; W44-I48 WeakPolarHBondContact O-CG1 2.92Å; W44-I48 PolarHBondContact O-N 2.69Å
45Y78.2Confident80Confident14 Ų1462.4 Ų62.46%0.05531%0.31CS..Hα-helixtrans-61.6-47.4174.5-63-54.7000112.2I29 R41 G42 S43 R47 I48 V49 L68 A71 T72I29-Y45 HydrophobicContact CB-CE1 4.19Å; I29-Y45 HydrophobicContact CD1-CD1 3.36Å; I29-Y45 HydrophobicContact CD1-CE1 3.13Å; I29-Y45 HydrophobicContact CD1-CG 4.26Å; I29-Y45 HydrophobicContact CG1-CD1 4.22Å; I29-Y45 HydrophobicContact CG1-CE1 3.53Å; I29-Y45 HydrophobicContact CG2-CE1 3.63Å; I29-Y45 WeakPolarHBondContact CG2-OH 3.32Å; R41-Y45 VanDerWaalsContact C-CE2 3.49Å; R41-Y45 HydrophobicContact CB-CD2 4.38Å; R41-Y45 HydrophobicContact CB-CE2 3.59Å; R41-Y45 WeakPolarHBondContact O-CD2 3.27Å; R41-Y45 VanDerWaalsContact O-CE2 3.32Å; R41-Y45 WeakPolarHBondContact O-CE2 3.37Å; R41-Y45 PolarHBondContact O-N 3.15Å; G42-Y45 PolarHBondContact O-N 2.94Å; S43-Y45 VanDerWaalsContact C-N 3.35Å; Y45-R47 VanDerWaalsContact C-N 3.26Å; Y45-R47 PolarHBondContact O-N 2.96Å; Y45-I48 PolarHBondContact O-N 3.15Å; Y45-I48 VanDerWaalsContact O-N 3.15Å; Y45-V49 WeakPolarHBondContact O-CG2 3.25Å; Y45-V49 PolarHBondContact O-N 3.36Å; Y45-L68 HydrophobicContact CD1-CB 3.48Å; Y45-L68 VanDerWaalsContact CD1-CB 3.48Å; Y45-L68 HydrophobicContact CD1-CD1 4.49Å; Y45-L68 HydrophobicContact CD1-CD2 3.79Å; Y45-L68 HydrophobicContact CD1-CG 4.09Å; Y45-L68 VanDerWaalsContact CD1-O 3.25Å; Y45-L68 WeakPolarHBondContact CD1-O 3.43Å; Y45-L68 HydrophobicContact CE1-CB 3.99Å; Y45-L68 HydrophobicContact CE1-CD2 3.94Å; Y45-L68 WeakPolarHBondContact CE1-O 3.41Å; Y45-L68 WeakPolarHBondContact CE2-O 3.5Å; Y45-L68 HydrophobicContact CG-CB 4.22Å; Y45-A71 HydrophobicContact CE1-CB 3.77Å; Y45-A71 WeakPolarHBondContact OH-CA 2.91Å; Y45-A71 WeakPolarHBondContact OH-CB 3.22Å; Y45-A71 PolarHBondContact OH-O 2.96Å; Y45-T72 HydrophobicContact CD2-CG2 3.94Å; Y45-T72 HydrophobicContact CE2-CG2 3.36Å; Y45-T72 PolarHBondContact OH-N 3.34Å; Y45-T72 VanDerWaalsContact OH-N 3.15Å
46E79.7Confident80.9Confident124 Ų12460.7 Ų60.758%0.57929%0.294SS*.Hα-helixtrans-57.5-43.2177.1-170.3179.4-170.600110.8G42 S43 V49 L50G42-E46 PolarHBondContact O-N 2.97Å; G42-E46 VanDerWaalsContact O-N 3.16Å; S43-E46 PolarHBondContact O-N 3.34Å; E46-V49 PolarHBondContact O-N 3.31Å; E46-L50 HydrophobicContact CG-CD1 4.05Å; E46-L50 HydrophobicContact CG-CG 4.49Å; E46-L50 WeakPolarHBondContact O-CB 3.39Å; E46-L50 WeakPolarHBondContact O-CG 3.35Å; E46-L50 PolarHBondContact O-N 3.26Å
47R87.9Confident81.5Confident75 Ų7566.1 Ų66.128%0.28332%0.315SS..Hα-helixtrans-63.4-41.4175.6-64.7-50.9-60.4167.19.3113.1E13 F25 S43 W44 Y45 L50 N51E13-R47 VanDerWaalsContact CD-NE 3.31Å; E13-R47 IonicContact OE1-CZ 3.81Å; E13-R47 IonicContact OE1-NE 2.8Å; E13-R47 PolarHBondContact OE1-NE 2.93Å; E13-R47 IonicContact OE1-NH2 2.94Å; E13-R47 PolarHBondContact OE1-NH2 3.33Å; E13-R47 IonicContact OE2-CZ 2.6Å; E13-R47 IonicContact OE2-NE 2.66Å; E13-R47 PolarHBondContact OE2-NE 2.91Å; E13-R47 IonicContact OE2-NH2 3.81Å; E13-R47 PolarHBondContact OE2-NH2 3.31Å; F25-R47 HydrophobicContact CD2-CB 3.93Å; F25-R47 HydrophobicContact CE1-CB 4.24Å; F25-R47 HydrophobicContact CE1-CG 4.38Å; F25-R47 HydrophobicContact CE2-CB 3.38Å; F25-R47 HydrophobicContact CE2-CG 4.03Å; F25-R47 HydrophobicContact CZ-CB 3.56Å; F25-R47 HydrophobicContact CZ-CG 3.71Å; S43-R47 VanDerWaalsContact O-CG 3.31Å; S43-R47 WeakPolarHBondContact O-CG 3.41Å; S43-R47 PolarHBondContact O-N 2.83Å; W44-R47 PolarHBondContact O-N 3.19Å; Y45-R47 VanDerWaalsContact C-N 3.26Å; Y45-R47 PolarHBondContact O-N 2.96Å; R47-L50 PolarHBondContact O-N 2.85Å; R47-N51 VanDerWaalsContact O-CB 3.3Å; R47-N51 WeakPolarHBondContact O-CB 3.3Å; R47-N51 PolarHBondContact O-N 3.45Å; R47-N51 PolarHBondContact O-ND2 3.41Å
48I85.8Confident81.5Confident0 Ų070.1 Ų70.10%033%0.332CS..Hα-helixtrans-59.7-48.8174.9-69.9165.5000110.5T22 F25 I26 I29 W44 Y45 N51 Y52 F64 L68T22-I48 HydrophobicContact CG2-CG2 4.15Å; F25-I48 HydrophobicContact CB-CD1 3.68Å; F25-I48 HydrophobicContact CB-CG1 3.44Å; F25-I48 VanDerWaalsContact CB-CG1 3.44Å; F25-I48 HydrophobicContact CD2-CG1 4.39Å; F25-I48 HydrophobicContact CG-CG1 4.22Å; I26-I48 HydrophobicContact CG1-CD1 3.81Å; I26-I48 HydrophobicContact CG1-CG1 4.37Å; I29-I48 HydrophobicContact CD1-CD1 3.33Å; W44-I48 WeakPolarHBondContact O-CG1 2.92Å; W44-I48 PolarHBondContact O-N 2.69Å; Y45-I48 PolarHBondContact O-N 3.15Å; Y45-I48 VanDerWaalsContact O-N 3.15Å; I48-N51 PolarHBondContact O-N 3.33Å; I48-Y52 HydrophobicContact CG2-CD2 3.63Å; I48-Y52 HydrophobicContact CG2-CE2 3.64Å; I48-Y52 WeakPolarHBondContact O-CD2 3.41Å; I48-Y52 PolarHBondContact O-N 3.43Å; I48-F64 HydrophobicContact CG2-CE1 4.18Å; I48-L68 HydrophobicContact CB-CD1 4.21Å; I48-L68 HydrophobicContact CD1-CD2 4.14Å; I48-L68 HydrophobicContact CG2-CD1 3.69Å
49V82.9Confident81.2Confident32 Ų3276.3 Ų76.319%0.19435%0.347CS..Hα-helixtrans-60-49.9179.9175.30000110.4Y45 E46 N51 Y52 E53 I60 K65 L68Y45-V49 WeakPolarHBondContact O-CG2 3.25Å; Y45-V49 PolarHBondContact O-N 3.36Å; E46-V49 PolarHBondContact O-N 3.31Å; V49-N51 VanDerWaalsContact C-N 3.31Å; V49-N51 PolarHBondContact O-N 3.29Å; V49-Y52 PolarHBondContact O-N 2.88Å; V49-E53 HydrophobicContact CG1-CG 4.28Å; V49-E53 WeakPolarHBondContact O-CB 3.37Å; V49-E53 WeakPolarHBondContact O-CG 3.41Å; V49-E53 PolarHBondContact O-N 2.9Å; V49-I60 HydrophobicContact CB-CD1 4.46Å; V49-I60 HydrophobicContact CG2-CD1 4.26Å; V49-K65 HydrophobicContact CG2-CG 4.43Å; V49-L68 HydrophobicContact CG2-CD1 4.26Å
50L86.1Confident80.7Confident48 Ų4865.2 Ų65.225%0.25131%0.306SS..Hα-helixtrans-58.7-41.8177-71.2171000112.2E46 R47 H54E46-L50 HydrophobicContact CG-CD1 4.05Å; E46-L50 HydrophobicContact CG-CG 4.49Å; E46-L50 WeakPolarHBondContact O-CB 3.39Å; E46-L50 WeakPolarHBondContact O-CG 3.35Å; E46-L50 PolarHBondContact O-N 3.26Å; R47-L50 PolarHBondContact O-N 2.85Å; L50-H54 WeakPolarHBondContact O-CB 3.3Å; L50-H54 PolarHBondContact O-N 2.95Å
51N89.1Confident80.1Confident0 Ų062.3 Ų62.30%030%0.299CS..Iπ-helixtrans-64.6-44.1179.3-74.1-18.6000111.9E13 T22 R47 I48 V49 H55 L56E13-N51 PolarHBondContact OE1-ND2 3Å; E13-N51 PolarHBondContact OE1-OD1 3.02Å; E13-N51 VanDerWaalsContact OE1-OD1 3.11Å; T22-N51 WeakPolarHBondContact OG1-CB 3.1Å; T22-N51 PolarHBondContact OG1-ND2 2.93Å; R47-N51 VanDerWaalsContact O-CB 3.3Å; R47-N51 WeakPolarHBondContact O-CB 3.3Å; R47-N51 PolarHBondContact O-N 3.45Å; R47-N51 PolarHBondContact O-ND2 3.41Å; I48-N51 PolarHBondContact O-N 3.33Å; V49-N51 VanDerWaalsContact C-N 3.31Å; V49-N51 PolarHBondContact O-N 3.29Å; N51-H55 CarbonylContact O-C 3.59Å; N51-H55 WeakPolarHBondContact O-CA 3.42Å; N51-H55 WeakPolarHBondContact O-CB 3.36Å; N51-H55 PolarHBondContact O-N 2.67Å; N51-H55 VanDerWaalsContact O-N 3.15Å; N51-H55 PolarHBondContact OD1-CD2 3.01Å; N51-L56 WeakPolarHBondContact O-CG 3.41Å; N51-L56 PolarHBondContact O-N 3.4Å
52Y84.8Confident79.5Confident42 Ų4263.9 Ų63.917%0.16531%0.307CS..Iπ-helixtrans-67.5-44.7176.4-82.6-67.2000112.9T22 I48 V49 L56 K57 K58 I60 F64T22-Y52 HydrophobicContact CG2-CD2 4.12Å; T22-Y52 HydrophobicContact CG2-CE2 3.59Å; I48-Y52 HydrophobicContact CG2-CD2 3.63Å; I48-Y52 HydrophobicContact CG2-CE2 3.64Å; I48-Y52 WeakPolarHBondContact O-CD2 3.41Å; I48-Y52 PolarHBondContact O-N 3.43Å; V49-Y52 PolarHBondContact O-N 2.88Å; Y52-L56 HydrophobicContact CD1-CB 4.48Å; Y52-L56 HydrophobicContact CD1-CD1 3.86Å; Y52-L56 HydrophobicContact CE1-CD1 4.15Å; Y52-L56 HydrophobicContact CG-CD1 4.44Å; Y52-L56 CarbonylContact O-C 3.42Å; Y52-K57 WeakPolarHBondContact O-CA 3.35Å; Y52-K57 PolarHBondContact O-N 3.16Å; Y52-K58 HydrophobicContact CD1-CB 3.91Å; Y52-K58 HydrophobicContact CD1-CD 4.22Å; Y52-K58 HydrophobicContact CE1-CB 4.49Å; Y52-K58 HydrophobicContact CE1-CD 4.13Å; Y52-K58 PolarHBondContact O-N 3.39Å; Y52-I60 VanDerWaalsContact CB-CD1 3.46Å; Y52-I60 HydrophobicContact CD1-CG1 4.33Å; Y52-I60 HydrophobicContact CD2-CD1 3.33Å; Y52-I60 HydrophobicContact CD2-CG1 3.68Å; Y52-I60 HydrophobicContact CE2-CD1 4.25Å; Y52-I60 HydrophobicContact CG-CD1 3.66Å; Y52-I60 HydrophobicContact CG-CG1 3.54Å; Y52-F64 HydrophobicContact CD2-CE1 4.38Å; Y52-F64 AromaticContact CE2-CE1 3.78Å; Y52-F64 HydrophobicContact CE2-CE1 3.78Å; Y52-F64 HydrophobicContact CE2-CZ 4.06Å
53E81.1Confident78.7Confident75 Ų7563.7 Ų63.735%0.3530%0.296SS..Iπ-helixtrans-72.1-50.1-174.6-70.5-172.2152.600112.5V49 K65V49-E53 HydrophobicContact CG1-CG 4.28Å; V49-E53 WeakPolarHBondContact O-CB 3.37Å; V49-E53 WeakPolarHBondContact O-CG 3.41Å; V49-E53 PolarHBondContact O-N 2.9Å; E53-K65 WeakPolarHBondContact OE1-CE 3.27Å; E53-K65 IonicContact OE1-NZ 3.25Å; E53-K65 PolarHBondContact OE1-NZ 3.35Å
54H86.9Confident78Confident122 Ų12264.7 Ų64.757%0.56530%0.295SS*.Iπ-helixtrans-94.3-32.2-171.6-65-68.2000113.6L50L50-H54 WeakPolarHBondContact O-CB 3.3Å; L50-H54 PolarHBondContact O-N 2.95Å
55H88.6Confident77.1Confident79 Ų7966.7 Ų66.737%0.36630%0.304SS..Iπ-helixtrans-105.4-45.9-170.2-61.9-54.4000113.4Y18 N51Y18-H55 HydrophobicContact CD1-CB 3.75Å; Y18-H55 AromaticContact CD1-CD2 3.37Å; Y18-H55 WeakPolarHBondContact CD1-CD2 3.46Å; Y18-H55 AromaticContact CD1-CG 3.5Å; Y18-H55 VanDerWaalsContact CD1-CG 3.5Å; Y18-H55 AromaticContact CD1-NE2 4Å; Y18-H55 HydrophobicContact CD2-CB 3.54Å; Y18-H55 AromaticContact CD2-CG 3.82Å; Y18-H55 HydrophobicContact CE1-CB 4.18Å; Y18-H55 AromaticContact CE1-CD2 3.27Å; Y18-H55 WeakPolarHBondContact CE1-CD2 3Å; Y18-H55 AromaticContact CE1-CE1 3.65Å; Y18-H55 AromaticContact CE1-CG 3.47Å; Y18-H55 VanDerWaalsContact CE1-CG 3.47Å; Y18-H55 AromaticContact CE1-ND1 3.69Å; Y18-H55 AromaticContact CE1-NE2 3.4Å; Y18-H55 WeakPolarHBondContact CE1-NE2 3.42Å; Y18-H55 HydrophobicContact CE2-CB 3.97Å; Y18-H55 AromaticContact CE2-CG 3.77Å; Y18-H55 AromaticContact CE2-ND1 3.63Å; Y18-H55 HydrophobicContact CG-CB 3.4Å; Y18-H55 AromaticContact CG-CG 3.67Å; Y18-H55 AromaticContact CZ-CD2 3.83Å; Y18-H55 AromaticContact CZ-CE1 3.51Å; Y18-H55 AromaticContact CZ-CG 3.59Å; Y18-H55 AromaticContact CZ-ND1 3.38Å; Y18-H55 AromaticContact CZ-NE2 3.78Å; Y18-H55 PolarHBondContact OH-CE1 3.42Å; N51-H55 CarbonylContact O-C 3.59Å; N51-H55 WeakPolarHBondContact O-CA 3.42Å; N51-H55 WeakPolarHBondContact O-CB 3.36Å; N51-H55 PolarHBondContact O-N 2.67Å; N51-H55 VanDerWaalsContact O-N 3.15Å; N51-H55 PolarHBondContact OD1-CD2 3.01Å
56L88.1Confident76.4Confident47 Ų4767.1 Ų67.125%0.24631%0.305CS..SBendtrans-88.9-14.6179-56.6174.8000112.5K19 N51 Y52 K58K19-L56 HydrophobicContact CB-CD2 4.04Å; N51-L56 WeakPolarHBondContact O-CG 3.41Å; N51-L56 PolarHBondContact O-N 3.4Å; Y52-L56 HydrophobicContact CD1-CB 4.48Å; Y52-L56 HydrophobicContact CD1-CD1 3.86Å; Y52-L56 HydrophobicContact CE1-CD1 4.15Å; Y52-L56 HydrophobicContact CG-CD1 4.44Å; Y52-L56 CarbonylContact O-C 3.42Å; L56-K58 HydrophobicContact CB-CG 4.25Å; L56-K58 PolarHBondContact O-N 3.41Å; L56-K58 VanDerWaalsContact O-N 3.16Å
57K80.1Confident75.6Confident181 Ų18163.4 Ų63.479%0.78729%0.288SS*.  trans4937.6-176.9-59.4-176.9178.7-178.30112.7Y52Y52-K57 WeakPolarHBondContact O-CA 3.35Å; Y52-K57 PolarHBondContact O-N 3.16Å
58K75.1Confident74.4Confident120 Ų12060.1 Ų60.152%0.52228%0.276SS..  trans-101.9131.8175.1-63.7-177.5173.8-173.60108.5Y52 L56 I60Y52-K58 HydrophobicContact CD1-CB 3.91Å; Y52-K58 HydrophobicContact CD1-CD 4.22Å; Y52-K58 HydrophobicContact CE1-CB 4.49Å; Y52-K58 HydrophobicContact CE1-CD 4.13Å; Y52-K58 PolarHBondContact O-N 3.39Å; L56-K58 HydrophobicContact CB-CG 4.25Å; L56-K58 PolarHBondContact O-N 3.41Å; L56-K58 VanDerWaalsContact O-N 3.16Å; K58-I60 PolarHBondContact O-N 2.88Å; K58-I60 VanDerWaalsContact O-N 3.1Å
59Y64.5Low73.5Confident206 Ų20664.1 Ų64.181%0.80830%0.3SS*.  trans-64.1113.6171.8-174-98.3000108.9
60I63.2Low72.7Confident10 Ų1063.3 Ų63.35%0.05129%0.294CS..  trans-80.8124.9164.5-55.5-170.4000107.3V49 Y52 K58 F64 K65V49-I60 HydrophobicContact CB-CD1 4.46Å; V49-I60 HydrophobicContact CG2-CD1 4.26Å; Y52-I60 VanDerWaalsContact CB-CD1 3.46Å; Y52-I60 HydrophobicContact CD1-CG1 4.33Å; Y52-I60 HydrophobicContact CD2-CD1 3.33Å; Y52-I60 HydrophobicContact CD2-CG1 3.68Å; Y52-I60 HydrophobicContact CE2-CD1 4.25Å; Y52-I60 HydrophobicContact CG-CD1 3.66Å; Y52-I60 HydrophobicContact CG-CG1 3.54Å; K58-I60 PolarHBondContact O-N 2.88Å; K58-I60 VanDerWaalsContact O-N 3.1Å; I60-F64 HydrophobicContact CD1-CD1 4.24Å; I60-F64 HydrophobicContact CD1-CE1 4.37Å; I60-F64 HydrophobicContact CG2-CB 3.53Å; I60-F64 HydrophobicContact CG2-CD1 3.22Å; I60-F64 HydrophobicContact CG2-CE1 4.17Å; I60-F64 HydrophobicContact CG2-CG 3.73Å; I60-K65 HydrophobicContact CB-CG 4.13Å; I60-K65 HydrophobicContact CG2-CG 3.63Å
61S64.2Low71.7Confident47 Ų4761.3 Ų61.333%0.32929%0.285SS..  trans-58.1142.7170.269.10000110.7I63 F64 K65S61-I63 PolarHBondContact O-N 2.97Å; S61-F64 PolarHBondContact O-N 2.71Å; S61-F64 PolarHBondContact OG-N 2.77Å; S61-F64 VanDerWaalsContact OG-N 3.12Å; S61-K65 PolarHBondContact O-N 3.15Å; S61-K65 VanDerWaalsContact O-N 3.09Å
62I63.5Low70.6Confident34 Ų3462.8 Ų62.817%0.17429%0.294CS..Hα-helixtrans-52-31.5174.8-171.9165.7000111.9K65 R66 V229 L261I62-K65 PolarHBondContact O-N 3.13Å; I62-R66 WeakPolarHBondContact O-CB 3.44Å; I62-R66 VanDerWaalsContact O-CG 3.28Å; I62-R66 WeakPolarHBondContact O-CG 3.38Å; I62-R66 PolarHBondContact O-N 3.07Å; I62-V229 HydrophobicContact CB-CG1 4.38Å; I62-V229 HydrophobicContact CD1-CG1 4.35Å; I62-V229 HydrophobicContact CG1-CG1 4.03Å; I62-V229 HydrophobicContact CG2-CG1 3.63Å; I62-L261 HydrophobicContact CD1-CD1 3.6Å; I62-L261 HydrophobicContact CG1-CD1 4.09Å
63I57.5Low69.8Low35 Ų3567.6 Ų67.618%0.17932%0.316CS..Hα-helixtrans-60.9-49.5173.2-67.5152.3000111.6S61 R66 H67 H79 L214 V229S61-I63 PolarHBondContact O-N 2.97Å; I63-R66 PolarHBondContact O-N 2.91Å; I63-R66 VanDerWaalsContact O-N 3.16Å; I63-H67 PolarHBondContact O-N 3.13Å; I63-H79 WeakPolarHBondContact CD1-NE2 3.33Å; I63-H79 HydrophobicContact CG2-CB 3.5Å; I63-H79 WeakPolarHBondContact CG2-CD2 3.36Å; I63-H79 VanDerWaalsContact CG2-CG 3.43Å; I63-L214 HydrophobicContact CG2-CD1 4.46Å; I63-L214 HydrophobicContact CG2-CD2 3.67Å; I63-L214 HydrophobicContact CG2-CG 4.21Å; I63-V229 HydrophobicContact CG1-CB 4.34Å; I63-V229 HydrophobicContact CG1-CG1 4.18Å; I63-V229 HydrophobicContact CG1-CG2 4.4Å
64F65.8Low69.5Low64 Ų6464.7 Ų64.728%0.28130%0.302SS..Hα-helixtrans-66.5-40.2179.1-178-83.9000111.4I26 I48 Y52 I60 S61 R66 H67 L68I26-F64 HydrophobicContact CD1-CZ 4.33Å; I48-F64 HydrophobicContact CG2-CE1 4.18Å; Y52-F64 HydrophobicContact CD2-CE1 4.38Å; Y52-F64 AromaticContact CE2-CE1 3.78Å; Y52-F64 HydrophobicContact CE2-CE1 3.78Å; Y52-F64 HydrophobicContact CE2-CZ 4.06Å; I60-F64 HydrophobicContact CD1-CD1 4.24Å; I60-F64 HydrophobicContact CD1-CE1 4.37Å; I60-F64 HydrophobicContact CG2-CB 3.53Å; I60-F64 HydrophobicContact CG2-CD1 3.22Å; I60-F64 HydrophobicContact CG2-CE1 4.17Å; I60-F64 HydrophobicContact CG2-CG 3.73Å; S61-F64 PolarHBondContact O-N 2.71Å; S61-F64 PolarHBondContact OG-N 2.77Å; S61-F64 VanDerWaalsContact OG-N 3.12Å; F64-R66 PolarHBondContact O-N 2.78Å; F64-H67 PolarHBondContact O-N 3.28Å; F64-L68 HydrophobicContact CD1-CD1 3.79Å; F64-L68 HydrophobicContact CD1-CG 4.09Å; F64-L68 HydrophobicContact CE1-CD1 3.55Å; F64-L68 HydrophobicContact CE1-CD2 4.28Å; F64-L68 HydrophobicContact CE1-CG 3.97Å; F64-L68 HydrophobicContact CZ-CD1 4.46Å; F64-L68 HydrophobicContact CZ-CD2 4.44Å; F64-L68 WeakPolarHBondContact O-CG 3.44Å; F64-L68 PolarHBondContact O-N 3Å
65K65.5Low68.9Low46 Ų4660.7 Ų60.720%0.229%0.287CS..Hα-helixtrans-56.3-40.8171.8-65.7-173.8-178.9-179.10111.7V49 E53 I60 S61 I62 L68 V69V49-K65 HydrophobicContact CG2-CG 4.43Å; E53-K65 WeakPolarHBondContact OE1-CE 3.27Å; E53-K65 IonicContact OE1-NZ 3.25Å; E53-K65 PolarHBondContact OE1-NZ 3.35Å; I60-K65 HydrophobicContact CB-CG 4.13Å; I60-K65 HydrophobicContact CG2-CG 3.63Å; S61-K65 PolarHBondContact O-N 3.15Å; S61-K65 VanDerWaalsContact O-N 3.09Å; I62-K65 PolarHBondContact O-N 3.13Å; K65-L68 WeakPolarHBondContact O-CB 3.19Å; K65-L68 PolarHBondContact O-N 3.36Å; K65-V69 WeakPolarHBondContact O-CG2 3.4Å; K65-V69 PolarHBondContact O-N 2.94Å
66R63Low68.4Low22 Ų2261.1 Ų61.18%0.08329%0.288CS..Hα-helixtrans-72.6-42.8179.5-73.9177.2-177.3-149.25.9112.3I62 I63 F64 L68 V69 Y70 L214 E228 V229 K230I62-R66 WeakPolarHBondContact O-CB 3.44Å; I62-R66 VanDerWaalsContact O-CG 3.28Å; I62-R66 WeakPolarHBondContact O-CG 3.38Å; I62-R66 PolarHBondContact O-N 3.07Å; I63-R66 PolarHBondContact O-N 2.91Å; I63-R66 VanDerWaalsContact O-N 3.16Å; F64-R66 PolarHBondContact O-N 2.78Å; R66-L68 PolarHBondContact O-N 3.26Å; R66-V69 PolarHBondContact O-N 2.89Å; R66-Y70 WeakPolarHBondContact O-CD2 3.45Å; R66-Y70 PolarHBondContact O-N 3.16Å; R66-L214 HydrophobicContact CB-CD1 3.99Å; R66-E228 PolarHBondContact NH1-O 3.31Å; R66-V229 VanDerWaalsContact CD-CG2 3.47Å; R66-K230 PolarHBondContact NH2-O 3.47Å
67H63.9Low68Low46 Ų4659.7 Ų59.721%0.21329%0.285CS..Hα-helixtrans-52.5-43.7172.8176.982.6000111I63 F64 Y70 A71 G77I63-H67 PolarHBondContact O-N 3.13Å; F64-H67 PolarHBondContact O-N 3.28Å; H67-Y70 PolarHBondContact O-N 2.89Å; H67-A71 WeakPolarHBondContact O-CB 3.49Å; H67-A71 PolarHBondContact O-N 2.94Å; H67-G77 WeakPolarHBondContact CE1-CA 3.47Å; H67-G77 PolarHBondContact CE1-N 2.95Å; H67-G77 PolarHBondContact CE1-O 3.24Å; H67-G77 PolarHBondContact ND1-O 2.94Å
68L62.2Low68Low6 Ų652.5 Ų52.53%0.03125%0.254CS..Hα-helixtrans-60.7-45.3174.1-71.1-179.2000112.9Y45 I48 V49 F64 K65 R66 Y70 A71Y45-L68 HydrophobicContact CD1-CB 3.48Å; Y45-L68 VanDerWaalsContact CD1-CB 3.48Å; Y45-L68 HydrophobicContact CD1-CD1 4.49Å; Y45-L68 HydrophobicContact CD1-CD2 3.79Å; Y45-L68 HydrophobicContact CD1-CG 4.09Å; Y45-L68 VanDerWaalsContact CD1-O 3.25Å; Y45-L68 WeakPolarHBondContact CD1-O 3.43Å; Y45-L68 HydrophobicContact CE1-CB 3.99Å; Y45-L68 HydrophobicContact CE1-CD2 3.94Å; Y45-L68 WeakPolarHBondContact CE1-O 3.41Å; Y45-L68 WeakPolarHBondContact CE2-O 3.5Å; Y45-L68 HydrophobicContact CG-CB 4.22Å; I48-L68 HydrophobicContact CB-CD1 4.21Å; I48-L68 HydrophobicContact CD1-CD2 4.14Å; I48-L68 HydrophobicContact CG2-CD1 3.69Å; V49-L68 HydrophobicContact CG2-CD1 4.26Å; F64-L68 HydrophobicContact CD1-CD1 3.79Å; F64-L68 HydrophobicContact CD1-CG 4.09Å; F64-L68 HydrophobicContact CE1-CD1 3.55Å; F64-L68 HydrophobicContact CE1-CD2 4.28Å; F64-L68 HydrophobicContact CE1-CG 3.97Å; F64-L68 HydrophobicContact CZ-CD1 4.46Å; F64-L68 HydrophobicContact CZ-CD2 4.44Å; F64-L68 WeakPolarHBondContact O-CG 3.44Å; F64-L68 PolarHBondContact O-N 3Å; K65-L68 WeakPolarHBondContact O-CB 3.19Å; K65-L68 PolarHBondContact O-N 3.36Å; R66-L68 PolarHBondContact O-N 3.26Å; L68-Y70 VanDerWaalsContact C-N 3.33Å; L68-Y70 PolarHBondContact O-N 3.14Å; L68-A71 WeakPolarHBondContact O-CB 3.29Å; L68-A71 PolarHBondContact O-N 3.38Å; L68-A71 VanDerWaalsContact O-N 3.14Å
69V67.6Low68.3Low84 Ų8450.3 Ų50.351%0.50925%0.246SC..Hα-helixtrans-58-46.1176.6173.50000111.3K65 R66 A71 T72K65-V69 WeakPolarHBondContact O-CG2 3.4Å; K65-V69 PolarHBondContact O-N 2.94Å; R66-V69 PolarHBondContact O-N 2.89Å; V69-A71 VanDerWaalsContact C-N 3.27Å; V69-A71 PolarHBondContact O-N 2.78Å; V69-T72 PolarHBondContact O-N 3.34Å; V69-T72 PolarHBondContact O-OG1 3.03Å
70Y66.8Low68.9Low15 Ų1540.7 Ų40.76%0.05921%0.208CC..Hα-helixtrans-70.4-23.4179.2-73.1-71.4000113.5R66 H67 L68 T72 F73 F74 V216 V227 L257R66-Y70 WeakPolarHBondContact O-CD2 3.45Å; R66-Y70 PolarHBondContact O-N 3.16Å; H67-Y70 PolarHBondContact O-N 2.89Å; L68-Y70 VanDerWaalsContact C-N 3.33Å; L68-Y70 PolarHBondContact O-N 3.14Å; Y70-T72 PolarHBondContact O-N 3.03Å; Y70-F73 PolarHBondContact O-N 3.17Å; Y70-F74 HydrophobicContact CD1-CD2 4.1Å; Y70-F74 HydrophobicContact CD1-CE2 4.15Å; Y70-F74 PolarHBondContact O-N 3.27Å; Y70-V216 HydrophobicContact CD1-CG2 4.16Å; Y70-V216 HydrophobicContact CD2-CG1 4.44Å; Y70-V216 HydrophobicContact CG-CG1 4.24Å; Y70-V216 HydrophobicContact CG-CG2 4.09Å; Y70-V227 HydrophobicContact CD2-CG2 4.19Å; Y70-V227 HydrophobicContact CE1-CG2 3.97Å; Y70-V227 HydrophobicContact CE2-CB 4.18Å; Y70-V227 HydrophobicContact CE2-CG1 3.66Å; Y70-V227 HydrophobicContact CE2-CG2 3.64Å; Y70-V227 VanDerWaalsContact CZ-CG2 3.49Å; Y70-L257 VanDerWaalsContact OH-CD1 3.29Å; Y70-L257 WeakPolarHBondContact OH-CD1 3.14Å
71A65Low70Confident7 Ų745 Ų456%0.05823%0.228CC..THydrogen-bonded Turntrans-62.7-12.7178.900000113.1I29 Y45 H67 L68 V69 F73 F74I29-A71 HydrophobicContact CG2-CB 3.81Å; Y45-A71 HydrophobicContact CE1-CB 3.77Å; Y45-A71 WeakPolarHBondContact OH-CA 2.91Å; Y45-A71 WeakPolarHBondContact OH-CB 3.22Å; Y45-A71 PolarHBondContact OH-O 2.96Å; H67-A71 WeakPolarHBondContact O-CB 3.49Å; H67-A71 PolarHBondContact O-N 2.94Å; L68-A71 WeakPolarHBondContact O-CB 3.29Å; L68-A71 PolarHBondContact O-N 3.38Å; L68-A71 VanDerWaalsContact O-N 3.14Å; V69-A71 VanDerWaalsContact C-N 3.27Å; V69-A71 PolarHBondContact O-N 2.78Å; A71-F73 VanDerWaalsContact C-N 3.31Å; A71-F74 CarbonylContact C-O 3.54Å; A71-F74 WeakPolarHBondContact CA-O 3.32Å
72T64.3Low71.3Confident31 Ų3143.4 Ų43.419%0.1922%0.217CC..THydrogen-bonded Turntrans-59.6-38.2167.846.20000113.1R41 Y45 V69 Y70R41-T72 HydrophobicContact CB-CG2 4.24Å; Y45-T72 HydrophobicContact CD2-CG2 3.94Å; Y45-T72 HydrophobicContact CE2-CG2 3.36Å; Y45-T72 PolarHBondContact OH-N 3.34Å; Y45-T72 VanDerWaalsContact OH-N 3.15Å; V69-T72 PolarHBondContact O-N 3.34Å; V69-T72 PolarHBondContact O-OG1 3.03Å; Y70-T72 PolarHBondContact O-N 3.03Å
73F68.8Low72.7Confident143 Ų14344.8 Ų44.863%0.62723%0.225SC*.THydrogen-bonded Turntrans-114.8-28.2-173.2-59.4-73.6000112.6Y70 A71 N218Y70-F73 PolarHBondContact O-N 3.17Å; A71-F73 VanDerWaalsContact C-N 3.31Å; F73-N218 PolarHBondContact O-ND2 3.12Å
74F74.2Confident74.3Confident14 Ų1443.1 Ų43.16%0.06122%0.216CC..  trans-110.2123.7-178.2-63.2-75.2000109.1Y70 A71 K76 V216 W217 N218 K223 K225Y70-F74 HydrophobicContact CD1-CD2 4.1Å; Y70-F74 HydrophobicContact CD1-CE2 4.15Å; Y70-F74 PolarHBondContact O-N 3.27Å; A71-F74 CarbonylContact C-O 3.54Å; A71-F74 WeakPolarHBondContact CA-O 3.32Å; F74-K76 PolarHBondContact O-N 3.09Å; F74-V216 HydrophobicContact CB-CB 3.94Å; F74-V216 HydrophobicContact CB-CG2 4.32Å; F74-V216 HydrophobicContact CD1-CG2 4.31Å; F74-V216 HydrophobicContact CD2-CB 4.15Å; F74-V216 HydrophobicContact CD2-CG2 3.58Å; F74-V216 HydrophobicContact CE2-CG2 3.95Å; F74-V216 HydrophobicContact CG-CB 3.95Å; F74-V216 HydrophobicContact CG-CG2 3.78Å; F74-V216 HydrophobicContact CZ-CG2 4.45Å; F74-W217 CarbonylContact C-O 3.56Å; F74-N218 HydrophobicContact CD1-CB 4.3Å; F74-K223 HydrophobicContact CE1-CB 4.27Å; F74-K225 HydrophobicContact CE1-CG 4.36Å; F74-K225 HydrophobicContact CE2-CB 4.41Å; F74-K225 HydrophobicContact CE2-CD 3.72Å; F74-K225 HydrophobicContact CE2-CG 4.07Å; F74-K225 HydrophobicContact CZ-CB 4.13Å; F74-K225 HydrophobicContact CZ-CD 3.63Å; F74-K225 HydrophobicContact CZ-CG 3.55Å
75S74.1Confident75.7Confident37 Ų3740.2 Ų40.226%0.25920%0.203SC..SBendtrans-68.8-23.1-178.251.80000112.7W217S75-W217 PolarHBondContact N-O 3.02Å; S75-W217 VanDerWaalsContact N-O 3.13Å; S75-W217 PolarHBondContact OG-O 3.48Å
76K79.7Confident77.2Confident89 Ų8939 Ų3939%0.38720%0.199SC..EExtended strand (participates in β ladder)trans-140.7162.9-175.5-68.4175178.3-178.10110.8F74 E183 V216 W217F74-K76 PolarHBondContact O-N 3.09Å; K76-E183 WeakPolarHBondContact CD-OE1 3.43Å; K76-E183 WeakPolarHBondContact CE-OE1 3.49Å; K76-E183 IonicContact NZ-OE1 3.05Å; K76-E183 PolarHBondContact NZ-OE1 3.03Å; K76-E183 IonicContact NZ-OE2 3.61Å; K76-E183 PolarHBondContact NZ-OE2 3.22Å; K76-V216 WeakPolarHBondContact O-CA 3.35Å; K76-W217 HydrophobicContact CB-CD2 4.03Å; K76-W217 HydrophobicContact CB-CE3 4.47Å; K76-W217 HydrophobicContact CB-CH2 3.91Å; K76-W217 HydrophobicContact CB-CZ2 3.46Å; K76-W217 VanDerWaalsContact CB-CZ2 3.46Å; K76-W217 HydrophobicContact CB-CZ3 4.43Å; K76-W217 HydrophobicContact CD-CZ2 3.82Å; K76-W217 HydrophobicContact CG-CZ2 4.28Å; K76-W217 PolarHBondContact N-O 2.79Å; K76-W217 PolarHBondContact O-N 3.36Å
77G78.8Confident78.7Confident17 Ų1738 Ų3818%0.17520%0.195CC..EExtended strand (participates in β ladder)trans-175.2157177.300000111.6H67 L215 W217H67-G77 WeakPolarHBondContact CE1-CA 3.47Å; H67-G77 PolarHBondContact CE1-N 2.95Å; H67-G77 PolarHBondContact CE1-O 3.24Å; H67-G77 PolarHBondContact ND1-O 2.94Å; G77-L215 CarbonylContact C-O 3.44Å; G77-L215 WeakPolarHBondContact CA-O 3.45Å; G77-W217 VanDerWaalsContact CA-CZ3 3.42Å
78M80.2Confident80.3Confident29 Ų2935.8 Ų35.814%0.14319%0.185CC..EExtended strand (participates in β ladder)trans-148.4142.8-175.6-158.7155.272.600111.5T80 I84 F169 F180 L214 L215 W217M78-T80 HydrophobicContact CB-CG2 3.96Å; M78-T80 HydrophobicContact CE-CG2 3.18Å; M78-T80 HydrophobicContact CG-CG2 3.55Å; M78-T80 HydrophobicContact SD-CG2 4.09Å; M78-I84 HydrophobicContact CE-CD1 4.02Å; M78-F169 HydrophobicContact CE-CD1 3.79Å; M78-F169 HydrophobicContact CE-CE1 3.02Å; M78-F169 HydrophobicContact CE-CE2 4.47Å; M78-F169 HydrophobicContact CE-CZ 3.41Å; M78-F169 VanDerWaalsContact CE-CZ 3.41Å; M78-F169 HydrophobicContact CG-CE1 4.44Å; M78-F169 HydrophobicContact SD-CD1 3.44Å; M78-F169 WeakPolarHBondContact SD-CD1 3.33Å; M78-F169 HydrophobicContact SD-CE1 3.3Å; M78-F169 WeakPolarHBondContact SD-CE1 3.37Å; M78-F169 HydrophobicContact SD-CZ 4.23Å; M78-F180 HydrophobicContact CB-CZ 4.39Å; M78-F180 HydrophobicContact CE-CD1 4.2Å; M78-F180 HydrophobicContact CE-CE1 3.2Å; M78-F180 HydrophobicContact CE-CE2 3.77Å; M78-F180 HydrophobicContact CE-CZ 2.95Å; M78-F180 HydrophobicContact SD-CE1 4.17Å; M78-F180 HydrophobicContact SD-CE2 3.63Å; M78-F180 HydrophobicContact SD-CZ 3.47Å; M78-F180 WeakPolarHBondContact SD-CZ 3.46Å; M78-L214 WeakPolarHBondContact O-CA 3.16Å; M78-L214 WeakPolarHBondContact O-CD2 3.39Å; M78-L215 PolarHBondContact N-O 3.22Å; M78-L215 PolarHBondContact O-N 3.04Å; M78-W217 HydrophobicContact CB-CH2 4.38Å; M78-W217 HydrophobicContact CB-CZ3 4.25Å
79H81.6Confident82Confident74 Ų7435.5 Ų35.534%0.34318%0.183SC..EExtended strand (participates in β ladder)trans-92.3107169.2-176.1-107.5000109.2I63 E81 D213 L214I63-H79 WeakPolarHBondContact CD1-NE2 3.33Å; I63-H79 HydrophobicContact CG2-CB 3.5Å; I63-H79 WeakPolarHBondContact CG2-CD2 3.36Å; I63-H79 VanDerWaalsContact CG2-CG 3.43Å; H79-E81 IonicContact CE1-OE1 2.74Å; H79-D213 WeakPolarHBondContact CA-O 3.27Å; H79-D213 PolarHBondContact CD2-O 2.98Å; H79-D213 VanDerWaalsContact CD2-O 3.24Å; H79-L214 HydrophobicContact CB-CD2 3.87Å
80T77.4Confident83.4Confident4 Ų431.5 Ų31.53%0.02516%0.159CC..  trans-132.7-14.4-173.252.40000114.1M78 S82 I83 I84 F169 D213M78-T80 HydrophobicContact CB-CG2 3.96Å; M78-T80 HydrophobicContact CE-CG2 3.18Å; M78-T80 HydrophobicContact CG-CG2 3.55Å; M78-T80 HydrophobicContact SD-CG2 4.09Å; T80-S82 PolarHBondContact O-N 2.92Å; T80-S82 VanDerWaalsContact O-N 3.16Å; T80-I83 VanDerWaalsContact O-CB 3.28Å; T80-I83 WeakPolarHBondContact O-CB 3.32Å; T80-I83 WeakPolarHBondContact O-CG1 3.48Å; T80-I83 PolarHBondContact O-N 3.4Å; T80-I84 HydrophobicContact CG2-CB 3.92Å; T80-I84 HydrophobicContact CG2-CD1 4.25Å; T80-I84 WeakPolarHBondContact OG1-CB 3.25Å; T80-I84 WeakPolarHBondContact OG1-CG2 3.45Å; T80-F169 HydrophobicContact CG2-CE1 4.38Å; T80-D213 PolarHBondContact N-O 3.45Å
81E85.7Confident84.9Confident101 Ų10130.8 Ų30.847%0.47216%0.156SC..THydrogen-bonded Turntrans47.9-123.8-168.8-55174.7-161.400110H79 P212 D213H79-E81 IonicContact CE1-OE1 2.74Å; E81-P212 WeakPolarHBondContact CA-O 3.42Å; E81-D213 PolarHBondContact N-O 3.01Å; E81-D213 VanDerWaalsContact N-O 3.17Å
82S92.6Very high86.5Confident14 Ų1430.7 Ų30.710%0.09816%0.155CC..THydrogen-bonded Turntrans-78.8-17.1179.8-53.50000114.1T80 I84 W85 L86 R208 M211T80-S82 PolarHBondContact O-N 2.92Å; T80-S82 VanDerWaalsContact O-N 3.16Å; S82-I84 PolarHBondContact O-N 3Å; S82-W85 PolarHBondContact O-N 3.07Å; S82-L86 WeakPolarHBondContact O-CG 3.45Å; S82-L86 PolarHBondContact O-N 3.32Å; S82-R208 WeakPolarHBondContact CB-O 3.45Å; S82-R208 PolarHBondContact OG-O 3.21Å; S82-M211 WeakPolarHBondContact OG-CB 3.27Å; S82-M211 PolarHBondContact OG-N 3Å
83I92Very high88.1Confident63 Ų6329.2 Ų29.232%0.32315%0.146SC..Hα-helixtrans-61.3-41.6-168.9-61.8172.2000112T80 W85 L86 T87 T168T80-I83 VanDerWaalsContact O-CB 3.28Å; T80-I83 WeakPolarHBondContact O-CB 3.32Å; T80-I83 WeakPolarHBondContact O-CG1 3.48Å; T80-I83 PolarHBondContact O-N 3.4Å; I83-W85 VanDerWaalsContact C-N 3.34Å; I83-W85 PolarHBondContact O-N 3.16Å; I83-L86 PolarHBondContact O-N 2.96Å; I83-T87 VanDerWaalsContact O-CB 3.25Å; I83-T87 WeakPolarHBondContact O-CB 3.44Å; I83-T87 PolarHBondContact O-N 2.9Å; I83-T87 PolarHBondContact O-OG1 2.62Å; I83-T168 HydrophobicContact CD1-CG2 4.03Å; I83-T168 HydrophobicContact CG2-CG2 4.23Å
84I92.2Very high89.5Confident0 Ų023.1 Ų23.10%012%0.118CC..Hα-helixtrans-62.8-42.8-179-163.2163.2000111.9M78 T80 S82 T87 L88 F180 F181 V184 L215M78-I84 HydrophobicContact CE-CD1 4.02Å; T80-I84 HydrophobicContact CG2-CB 3.92Å; T80-I84 HydrophobicContact CG2-CD1 4.25Å; T80-I84 WeakPolarHBondContact OG1-CB 3.25Å; T80-I84 WeakPolarHBondContact OG1-CG2 3.45Å; S82-I84 PolarHBondContact O-N 3Å; I84-T87 PolarHBondContact O-N 3.09Å; I84-L88 HydrophobicContact CG1-CD1 4.44Å; I84-L88 WeakPolarHBondContact O-CB 3.35Å; I84-L88 VanDerWaalsContact O-CG 3.3Å; I84-L88 WeakPolarHBondContact O-CG 3.1Å; I84-L88 PolarHBondContact O-N 3.03Å; I84-F180 HydrophobicContact CD1-CE1 4.14Å; I84-F180 HydrophobicContact CD1-CZ 4.26Å; I84-F181 HydrophobicContact CG1-CE1 4.19Å; I84-V184 HydrophobicContact CD1-CG1 3.9Å; I84-V184 HydrophobicContact CD1-CG2 4.32Å; I84-V184 HydrophobicContact CG1-CG1 4.33Å; I84-L215 HydrophobicContact CD1-CB 4.38Å; I84-L215 HydrophobicContact CD1-CD2 3.57Å
85W94.6Very high90.6Very high2 Ų227.3 Ų27.31%0.00814%0.138CC..Hα-helixtrans-71-42.2-177.7-51.7101.6000111.4S82 I83 T87 L88 F89 I188 I196 M211 L215 V226S82-W85 PolarHBondContact O-N 3.07Å; I83-W85 VanDerWaalsContact C-N 3.34Å; I83-W85 PolarHBondContact O-N 3.16Å; W85-T87 VanDerWaalsContact C-N 3.33Å; W85-L88 PolarHBondContact O-N 3.39Å; W85-F89 WeakPolarHBondContact O-CB 3.26Å; W85-F89 PolarHBondContact O-N 2.93Å; W85-I188 HydrophobicContact CH2-CD1 3.97Å; W85-I188 HydrophobicContact CZ3-CD1 3.66Å; W85-I196 HydrophobicContact CE3-CD1 3.74Å; W85-I196 HydrophobicContact CE3-CG2 4.32Å; W85-I196 HydrophobicContact CH2-CD1 4.33Å; W85-I196 HydrophobicContact CZ3-CD1 3.46Å; W85-I196 VanDerWaalsContact CZ3-CD1 3.46Å; W85-M211 HydrophobicContact CB-CE 3.71Å; W85-M211 HydrophobicContact CB-CG 4.46Å; W85-M211 HydrophobicContact CB-SD 4.36Å; W85-M211 HydrophobicContact CD2-SD 4.38Å; W85-M211 HydrophobicContact CG-CE 3.89Å; W85-M211 HydrophobicContact CG-CG 4.1Å; W85-M211 HydrophobicContact CG-SD 3.9Å; W85-L215 HydrophobicContact CH2-CD1 4.08Å; W85-L215 HydrophobicContact CZ2-CD1 4.14Å; W85-V226 HydrophobicContact CH2-CG1 3.83Å; W85-V226 HydrophobicContact CZ2-CG1 3.48Å; W85-V226 VanDerWaalsContact CZ2-CG1 3.48Å
86L96.3Very high91.7Very high21 Ų2126.7 Ų26.711%0.1113%0.131CC..Hα-helixtrans-65.5-38.7175.6-65.5177.4000111.6S82 I83 F89 G90 L200 F204 R208S82-L86 WeakPolarHBondContact O-CG 3.45Å; S82-L86 PolarHBondContact O-N 3.32Å; I83-L86 PolarHBondContact O-N 2.96Å; L86-F89 PolarHBondContact O-N 2.88Å; L86-G90 PolarHBondContact O-N 3.5Å; L86-L200 HydrophobicContact CD2-CD1 4.39Å; L86-L200 HydrophobicContact CD2-CD2 4.03Å; L86-F204 HydrophobicContact CD2-CE2 3.59Å; L86-F204 HydrophobicContact CD2-CZ 3.95Å; L86-R208 HydrophobicContact CD2-CB 4.15Å
87T95.6Very high92.5Very high1 Ų122.5 Ų22.51%0.00611%0.113CC..Hα-helixtrans-65.9-47.7176.2-61.70000111.2I83 I84 W85 F89 G90 L91 V164 S165 F181I83-T87 VanDerWaalsContact O-CB 3.25Å; I83-T87 WeakPolarHBondContact O-CB 3.44Å; I83-T87 PolarHBondContact O-N 2.9Å; I83-T87 PolarHBondContact O-OG1 2.62Å; I84-T87 PolarHBondContact O-N 3.09Å; W85-T87 VanDerWaalsContact C-N 3.33Å; T87-F89 VanDerWaalsContact C-N 3.27Å; T87-F89 PolarHBondContact O-N 3.41Å; T87-G90 PolarHBondContact O-N 2.99Å; T87-L91 HydrophobicContact CG2-CD1 3.7Å; T87-L91 HydrophobicContact CG2-CG 4.19Å; T87-L91 WeakPolarHBondContact O-CB 3.45Å; T87-L91 VanDerWaalsContact O-CG 3.31Å; T87-L91 WeakPolarHBondContact O-CG 3.27Å; T87-L91 PolarHBondContact O-N 3.42Å; T87-V164 HydrophobicContact CG2-CB 4.47Å; T87-V164 HydrophobicContact CG2-CG1 3.76Å; T87-S165 PolarHBondContact OG1-N 3.11Å; T87-F181 HydrophobicContact CG2-CD1 4.01Å; T87-F181 HydrophobicContact CG2-CD2 4.24Å; T87-F181 HydrophobicContact CG2-CE1 3.4Å; T87-F181 HydrophobicContact CG2-CE2 3.65Å; T87-F181 HydrophobicContact CG2-CG 4.4Å; T87-F181 HydrophobicContact CG2-CZ 3.18Å
88L96.9Very high93.3Very high0 Ų023.3 Ų23.30%011%0.111CC..Hα-helixtrans-61.5-37.8175.6-70.8174.5000112I84 W85 L91 L92 I150 F181 V184 A185 I188 L193 F197I84-L88 HydrophobicContact CG1-CD1 4.44Å; I84-L88 WeakPolarHBondContact O-CB 3.35Å; I84-L88 VanDerWaalsContact O-CG 3.3Å; I84-L88 WeakPolarHBondContact O-CG 3.1Å; I84-L88 PolarHBondContact O-N 3.03Å; W85-L88 PolarHBondContact O-N 3.39Å; L88-L91 PolarHBondContact O-N 3.06Å; L88-L92 WeakPolarHBondContact O-CB 3.29Å; L88-L92 PolarHBondContact O-N 3.3Å; L88-I150 HydrophobicContact CD2-CD1 4.39Å; L88-F181 HydrophobicContact CD2-CB 4.14Å; L88-F181 HydrophobicContact CD2-CD1 3.8Å; L88-F181 HydrophobicContact CD2-CG 4.41Å; L88-F181 HydrophobicContact CG-CD1 4.17Å; L88-V184 HydrophobicContact CD1-CG1 3.96Å; L88-A185 HydrophobicContact CD2-CB 3.93Å; L88-I188 HydrophobicContact CD1-CD1 4.03Å; L88-L193 HydrophobicContact CD1-CD2 4.06Å; L88-F197 VanDerWaalsContact C-CZ 3.48Å; L88-F197 HydrophobicContact CB-CE1 4.18Å; L88-F197 HydrophobicContact CB-CZ 3.95Å; L88-F197 WeakPolarHBondContact O-CZ 3.19Å
89F98Very high94Very high0 Ų022.8 Ų22.80%011%0.11CC..Hα-helixtrans-61.9-46.4174.8-179.7-132000111.4W85 L86 T87 C93 I97 F131 L163 F197 L200 A201 F204W85-F89 WeakPolarHBondContact O-CB 3.26Å; W85-F89 PolarHBondContact O-N 2.93Å; L86-F89 PolarHBondContact O-N 2.88Å; T87-F89 VanDerWaalsContact C-N 3.27Å; T87-F89 PolarHBondContact O-N 3.41Å; F89-C93 HydrophobicContact CD2-CB 3.9Å; F89-C93 HydrophobicContact CE2-CB 3.77Å; F89-C93 WeakPolarHBondContact O-CA 3.28Å; F89-C93 VanDerWaalsContact O-CB 3.25Å; F89-C93 WeakPolarHBondContact O-CB 3.5Å; F89-C93 PolarHBondContact O-N 3.42Å; F89-I97 HydrophobicContact CD1-CD1 3.68Å; F89-I97 HydrophobicContact CD2-CD1 4.22Å; F89-I97 HydrophobicContact CE1-CD1 3.43Å; F89-I97 VanDerWaalsContact CE1-CD1 3.43Å; F89-I97 HydrophobicContact CE1-CG1 3.98Å; F89-I97 HydrophobicContact CE2-CD1 4Å; F89-I97 HydrophobicContact CE2-CG1 4.39Å; F89-I97 HydrophobicContact CG-CD1 4.07Å; F89-I97 HydrophobicContact CZ-CD1 3.6Å; F89-I97 HydrophobicContact CZ-CG1 3.82Å; F89-F131 AromaticContact CE2-CE1 3.96Å; F89-F131 HydrophobicContact CE2-CE1 3.96Å; F89-F131 AromaticContact CZ-CE1 3.94Å; F89-F131 HydrophobicContact CZ-CE1 3.94Å; F89-F131 HydrophobicContact CZ-CZ 4.22Å; F89-L163 HydrophobicContact CD1-CD1 4.27Å; F89-F197 VanDerWaalsContact CA-CE1 3.46Å; F89-F197 HydrophobicContact CB-CD1 3.75Å; F89-F197 HydrophobicContact CB-CE1 3.73Å; F89-F197 HydrophobicContact CB-CG 4.47Å; F89-F197 HydrophobicContact CB-CZ 4.42Å; F89-F197 HydrophobicContact CD2-CB 3.71Å; F89-F197 AromaticContact CD2-CD1 3.71Å; F89-F197 HydrophobicContact CD2-CD1 3.71Å; F89-F197 HydrophobicContact CD2-CD2 4.21Å; F89-F197 HydrophobicContact CD2-CE1 4.38Å; F89-F197 AromaticContact CD2-CG 3.61Å; F89-F197 HydrophobicContact CD2-CG 3.61Å; F89-F197 HydrophobicContact CE2-CB 3.98Å; F89-F197 HydrophobicContact CE2-CG 4.35Å; F89-F197 HydrophobicContact CG-CD1 4.11Å; F89-F197 HydrophobicContact CG-CG 4.45Å; F89-L200 HydrophobicContact CB-CD1 3.89Å; F89-L200 HydrophobicContact CD1-CB 4.17Å; F89-L200 HydrophobicContact CD1-CD1 4.15Å; F89-L200 HydrophobicContact CE1-CB 4.15Å; F89-L200 HydrophobicContact CG-CB 4.46Å; F89-L200 HydrophobicContact CG-CD1 4Å; F89-L200 HydrophobicContact CZ-CB 4.43Å; F89-A201 HydrophobicContact CE2-CB 4.43Å; F89-A201 HydrophobicContact CZ-CB 4.03Å; F89-F204 HydrophobicContact CD1-CE2 4.35Å; F89-F204 HydrophobicContact CE1-CD2 4.32Å; F89-F204 HydrophobicContact CE1-CE2 4.32Å
90G97.6Very high94.4Very high0 Ų024.4 Ų24.40%013%0.129CC..Hα-helixtrans-64.5-41.9175.600000113.7L86 T87 W94L86-G90 PolarHBondContact O-N 3.5Å; T87-G90 PolarHBondContact O-N 2.99Å; G90-W94 VanDerWaalsContact O-CA 3.31Å; G90-W94 WeakPolarHBondContact O-CA 3.35Å; G90-W94 VanDerWaalsContact O-CB 3.31Å; G90-W94 WeakPolarHBondContact O-CB 3.23Å; G90-W94 PolarHBondContact O-N 2.97Å; G90-W94 VanDerWaalsContact O-N 3.16Å
91L97.6Very high95.1Very high0 Ų030.1 Ų30.10%016%0.159CC..Hα-helixtrans-67.1-42.2-179.5-72.3170.4000112.3T87 L88 I150 T153 W154 V164 W166 F181T87-L91 HydrophobicContact CG2-CD1 3.7Å; T87-L91 HydrophobicContact CG2-CG 4.19Å; T87-L91 WeakPolarHBondContact O-CB 3.45Å; T87-L91 VanDerWaalsContact O-CG 3.31Å; T87-L91 WeakPolarHBondContact O-CG 3.27Å; T87-L91 PolarHBondContact O-N 3.42Å; L88-L91 PolarHBondContact O-N 3.06Å; L91-I150 HydrophobicContact CD1-CG2 4.3Å; L91-T153 HydrophobicContact CD2-CG2 4.19Å; L91-T153 VanDerWaalsContact O-CB 3.31Å; L91-T153 WeakPolarHBondContact O-CB 3.49Å; L91-T153 WeakPolarHBondContact O-CG2 3.34Å; L91-T153 PolarHBondContact O-OG1 2.94Å; L91-W154 HydrophobicContact CD1-CE3 4.32Å; L91-W154 HydrophobicContact CD1-CZ3 4.43Å; L91-W154 HydrophobicContact CD2-CE3 3.95Å; L91-V164 HydrophobicContact CD2-CG1 4.21Å; L91-V164 HydrophobicContact CD2-CG2 4.31Å; L91-V164 HydrophobicContact CG-CG1 4.33Å; L91-V164 HydrophobicContact CG-CG2 4.12Å; L91-W166 HydrophobicContact CD2-CH2 4Å; L91-W166 HydrophobicContact CD2-CZ3 4.03Å; L91-F181 HydrophobicContact CD1-CB 4.01Å; L91-F181 HydrophobicContact CD1-CD1 4.41Å; L91-F181 HydrophobicContact CD1-CD2 4.08Å; L91-F181 HydrophobicContact CD1-CG 3.92Å
92L98.2Very high95.5Very high5 Ų526 Ų263%0.02614%0.141CC..Hα-helixtrans-89.6-28.9-175.6-71.4172.1000112.9L88 K134 L138 R149 I150 L193 F197L88-L92 WeakPolarHBondContact O-CB 3.29Å; L88-L92 PolarHBondContact O-N 3.3Å; L92-K134 WeakPolarHBondContact O-CE 3.12Å; L92-K134 PolarHBondContact O-NZ 3.04Å; L92-L138 HydrophobicContact CB-CD2 4.43Å; L92-L138 HydrophobicContact CD1-CD2 4.22Å; L92-L138 HydrophobicContact CD2-CD2 4.32Å; L92-R149 HydrophobicContact CD2-CB 4.06Å; L92-I150 HydrophobicContact CD2-CD1 4.41Å; L92-I150 HydrophobicContact CD2-CG1 3.79Å; L92-I150 HydrophobicContact CG-CG1 4.17Å; L92-L193 HydrophobicContact CD1-CD1 3.91Å; L92-F197 HydrophobicContact CB-CE2 3.81Å; L92-F197 HydrophobicContact CB-CZ 4.36Å; L92-F197 HydrophobicContact CD1-CE2 3.81Å; L92-F197 HydrophobicContact CD1-CZ 4Å; L92-F197 HydrophobicContact CG-CE2 4.44Å
93C98.2Very high95.6Very high0 Ų029.4 Ų29.40%016%0.162CC..SBendtrans-112.528.7-178.6-55.10000113.4F89 Q95 E96 I97 F131F89-C93 HydrophobicContact CD2-CB 3.9Å; F89-C93 HydrophobicContact CE2-CB 3.77Å; F89-C93 WeakPolarHBondContact O-CA 3.28Å; F89-C93 VanDerWaalsContact O-CB 3.25Å; F89-C93 WeakPolarHBondContact O-CB 3.5Å; F89-C93 PolarHBondContact O-N 3.42Å; C93-Q95 PolarHBondContact O-N 3.43Å; C93-E96 WeakPolarHBondContact CA-OE2 3.46Å; C93-E96 PolarHBondContact O-N 3.49Å; C93-I97 HydrophobicContact CB-CD1 4.12Å; C93-I97 HydrophobicContact CB-CG1 4.36Å; C93-I97 VanDerWaalsContact O-CG1 3.27Å; C93-I97 WeakPolarHBondContact O-CG1 3.2Å; C93-I97 PolarHBondContact O-N 2.72Å; C93-F131 HydrophobicContact CB-CE1 4.13Å
94W97.8Very high95.7Very high14 Ų1432.3 Ų32.35%0.05318%0.179CC..Hα-helixtrans-54.5-52.1-175-170.9-85000112.5G90 E96 I97 Y98 T153 Y157 T160 V164 W166G90-W94 VanDerWaalsContact O-CA 3.31Å; G90-W94 WeakPolarHBondContact O-CA 3.35Å; G90-W94 VanDerWaalsContact O-CB 3.31Å; G90-W94 WeakPolarHBondContact O-CB 3.23Å; G90-W94 PolarHBondContact O-N 2.97Å; G90-W94 VanDerWaalsContact O-N 3.16Å; W94-E96 VanDerWaalsContact C-N 3.27Å; W94-E96 PolarHBondContact O-N 2.81Å; W94-I97 PolarHBondContact O-N 3.03Å; W94-Y98 AromaticContact CD2-CD2 3.59Å; W94-Y98 HydrophobicContact CD2-CD2 3.59Å; W94-Y98 AromaticContact CD2-CE2 3.99Å; W94-Y98 HydrophobicContact CD2-CE2 3.99Å; W94-Y98 AromaticContact CE2-CD2 3.63Å; W94-Y98 AromaticContact CE3-CD2 3.97Å; W94-Y98 HydrophobicContact CE3-CD2 3.97Å; W94-Y98 AromaticContact CE3-CE2 3.87Å; W94-Y98 HydrophobicContact CE3-CE2 3.87Å; W94-Y98 AromaticContact CG-CD2 3.95Å; W94-Y98 HydrophobicContact CG-CD2 3.95Å; W94-Y98 HydrophobicContact CH2-CD2 4.39Å; W94-Y98 HydrophobicContact CH2-CE2 4.1Å; W94-Y98 HydrophobicContact CZ2-CD2 4.05Å; W94-Y98 HydrophobicContact CZ2-CE2 4.21Å; W94-Y98 HydrophobicContact CZ2-CG 4.46Å; W94-Y98 HydrophobicContact CZ3-CD2 4.36Å; W94-Y98 AromaticContact CZ3-CE2 3.93Å; W94-Y98 HydrophobicContact CZ3-CE2 3.93Å; W94-Y98 AromaticContact NE1-CD2 3.95Å; W94-Y98 WeakPolarHBondContact O-CB 3.49Å; W94-Y98 WeakPolarHBondContact O-CD2 3.2Å; W94-Y98 PolarHBondContact O-N 3.39Å; W94-T153 HydrophobicContact CB-CG2 3.81Å; W94-T153 HydrophobicContact CD2-CG2 4.1Å; W94-T153 HydrophobicContact CE3-CG2 3.98Å; W94-T153 HydrophobicContact CG-CG2 4.04Å; W94-Y157 AromaticContact CD1-CD2 3.82Å; W94-Y157 AromaticContact CD1-CE1 3.97Å; W94-Y157 AromaticContact CD1-CE2 3.36Å; W94-Y157 AromaticContact CD1-CZ 3.43Å; W94-Y157 VanDerWaalsContact CD1-CZ 3.43Å; W94-Y157 HydrophobicContact CD2-CD1 4.43Å; W94-Y157 AromaticContact CD2-CD2 3.81Å; W94-Y157 HydrophobicContact CD2-CD2 3.81Å; W94-Y157 HydrophobicContact CD2-CE2 4.17Å; W94-Y157 AromaticContact CD2-CG 3.94Å; W94-Y157 HydrophobicContact CD2-CG 3.94Å; W94-Y157 AromaticContact CE2-CD1 3.47Å; W94-Y157 VanDerWaalsContact CE2-CD1 3.47Å; W94-Y157 AromaticContact CE2-CD2 3.65Å; W94-Y157 AromaticContact CE2-CE1 3.77Å; W94-Y157 AromaticContact CE2-CE2 3.94Å; W94-Y157 AromaticContact CE2-CG 3.39Å; W94-Y157 AromaticContact CE2-CZ 3.99Å; W94-Y157 HydrophobicContact CE3-CD2 4.45Å; W94-Y157 HydrophobicContact CE3-CG 4.45Å; W94-Y157 AromaticContact CG-CD2 3.94Å; W94-Y157 HydrophobicContact CG-CD2 3.94Å; W94-Y157 AromaticContact CG-CE2 3.85Å; W94-Y157 HydrophobicContact CG-CE2 3.85Å; W94-Y157 HydrophobicContact CG-CG 4.49Å; W94-Y157 HydrophobicContact CH2-CD1 4.32Å; W94-Y157 HydrophobicContact CH2-CG 4.04Å; W94-Y157 AromaticContact CZ2-CD1 3.4Å; W94-Y157 HydrophobicContact CZ2-CD1 3.4Å; W94-Y157 VanDerWaalsContact CZ2-CD1 3.4Å; W94-Y157 HydrophobicContact CZ2-CD2 4.19Å; W94-Y157 HydrophobicContact CZ2-CE1 4.08Å; W94-Y157 AromaticContact CZ2-CG 3.46Å; W94-Y157 HydrophobicContact CZ2-CG 3.46Å; W94-Y157 VanDerWaalsContact CZ2-CG 3.46Å; W94-Y157 HydrophobicContact CZ3-CG 4.5Å; W94-Y157 AromaticContact NE1-CD1 3.44Å; W94-Y157 AromaticContact NE1-CD2 3.65Å; W94-Y157 AromaticContact NE1-CE1 3.2Å; W94-Y157 AromaticContact NE1-CE2 3.43Å; W94-Y157 AromaticContact NE1-CG 3.65Å; W94-Y157 AromaticContact NE1-CZ 3.18Å; W94-T160 HydrophobicContact CH2-CG2 4.14Å; W94-T160 HydrophobicContact CZ2-CG2 4.21Å; W94-V164 HydrophobicContact CE3-CG2 4.31Å; W94-V164 HydrophobicContact CZ3-CG2 3.97Å; W94-W166 HydrophobicContact CH2-CZ2 4.41Å; W94-W166 HydrophobicContact CZ3-CZ2 4.11Å
95Q96.6Very high95.9Very high103 Ų10332.3 Ų32.348%0.48118%0.179SC..Hα-helixtrans-63.6-34.1-176.5-61.5-57.5-29.100112.4C93 S99 Y157C93-Q95 PolarHBondContact O-N 3.43Å; Q95-S99 WeakPolarHBondContact O-CA 3.35Å; Q95-S99 WeakPolarHBondContact O-CB 3.5Å; Q95-S99 PolarHBondContact O-N 3.35Å; Q95-S99 VanDerWaalsContact O-N 3.16Å; Q95-Y157 PolarHBondContact NE2-OH 3.1Å
96E97.5Very high95.9Very high24 Ų2436.2 Ų36.211%0.11219%0.194CC..Hα-helixtrans-72.8-42.5178.2-62.574.2-167.500111C93 W94 R127 H130 F131 K134C93-E96 WeakPolarHBondContact CA-OE2 3.46Å; C93-E96 PolarHBondContact O-N 3.49Å; W94-E96 VanDerWaalsContact C-N 3.27Å; W94-E96 PolarHBondContact O-N 2.81Å; E96-R127 WeakPolarHBondContact O-CD 3.46Å; E96-R127 PolarHBondContact O-NE 2.89Å; E96-H130 HydrophobicContact CG-CB 4.16Å; E96-F131 HydrophobicContact CB-CD1 3.6Å; E96-F131 HydrophobicContact CB-CE1 3.34Å; E96-F131 HydrophobicContact CB-CE2 4.4Å; E96-F131 HydrophobicContact CB-CG 4.22Å; E96-F131 HydrophobicContact CB-CZ 3.78Å; E96-F131 HydrophobicContact CG-CD1 4.08Å; E96-F131 HydrophobicContact CG-CE1 4.29Å; E96-K134 VanDerWaalsContact CD-NZ 3.28Å; E96-K134 HydrophobicContact CG-CB 4.04Å; E96-K134 HydrophobicContact CG-CG 4.27Å; E96-K134 WeakPolarHBondContact OE1-CB 3.29Å; E96-K134 WeakPolarHBondContact OE1-CD 3.46Å; E96-K134 WeakPolarHBondContact OE1-CG 3.33Å; E96-K134 IonicContact OE1-NZ 3.56Å; E96-K134 PolarHBondContact OE1-NZ 2.83Å; E96-K134 IonicContact OE2-NZ 3.34Å; E96-K134 PolarHBondContact OE2-NZ 3.01Å
97I97.5Very high95.7Very high0 Ų042.3 Ų42.30%022%0.219CC..Hα-helixtrans-72.5-45.2-179.5-60.8164000111.2F89 C93 W94 I117 F123 F131 L163F89-I97 HydrophobicContact CD1-CD1 3.68Å; F89-I97 HydrophobicContact CD2-CD1 4.22Å; F89-I97 HydrophobicContact CE1-CD1 3.43Å; F89-I97 VanDerWaalsContact CE1-CD1 3.43Å; F89-I97 HydrophobicContact CE1-CG1 3.98Å; F89-I97 HydrophobicContact CE2-CD1 4Å; F89-I97 HydrophobicContact CE2-CG1 4.39Å; F89-I97 HydrophobicContact CG-CD1 4.07Å; F89-I97 HydrophobicContact CZ-CD1 3.6Å; F89-I97 HydrophobicContact CZ-CG1 3.82Å; C93-I97 HydrophobicContact CB-CD1 4.12Å; C93-I97 HydrophobicContact CB-CG1 4.36Å; C93-I97 VanDerWaalsContact O-CG1 3.27Å; C93-I97 WeakPolarHBondContact O-CG1 3.2Å; C93-I97 PolarHBondContact O-N 2.72Å; W94-I97 PolarHBondContact O-N 3.03Å; I97-I117 HydrophobicContact CG2-CD1 4.3Å; I97-F123 HydrophobicContact CG1-CZ 4.35Å; I97-F123 HydrophobicContact CG2-CZ 4.29Å; I97-F131 HydrophobicContact CG1-CE1 4.09Å; I97-F131 HydrophobicContact CG1-CZ 3.91Å; I97-L163 HydrophobicContact CD1-CD1 3.62Å; I97-L163 HydrophobicContact CG2-CD2 3.81Å
98Y96.3Very high95.5Very high35 Ų3544.9 Ų44.914%0.13724%0.237CC..SBendtrans-99.414.4-170.1-66.4-73.8000114.6W94 C100 W106 S112 S162 L163W94-Y98 AromaticContact CD2-CD2 3.59Å; W94-Y98 HydrophobicContact CD2-CD2 3.59Å; W94-Y98 AromaticContact CD2-CE2 3.99Å; W94-Y98 HydrophobicContact CD2-CE2 3.99Å; W94-Y98 AromaticContact CE2-CD2 3.63Å; W94-Y98 AromaticContact CE3-CD2 3.97Å; W94-Y98 HydrophobicContact CE3-CD2 3.97Å; W94-Y98 AromaticContact CE3-CE2 3.87Å; W94-Y98 HydrophobicContact CE3-CE2 3.87Å; W94-Y98 AromaticContact CG-CD2 3.95Å; W94-Y98 HydrophobicContact CG-CD2 3.95Å; W94-Y98 HydrophobicContact CH2-CD2 4.39Å; W94-Y98 HydrophobicContact CH2-CE2 4.1Å; W94-Y98 HydrophobicContact CZ2-CD2 4.05Å; W94-Y98 HydrophobicContact CZ2-CE2 4.21Å; W94-Y98 HydrophobicContact CZ2-CG 4.46Å; W94-Y98 HydrophobicContact CZ3-CD2 4.36Å; W94-Y98 AromaticContact CZ3-CE2 3.93Å; W94-Y98 HydrophobicContact CZ3-CE2 3.93Å; W94-Y98 AromaticContact NE1-CD2 3.95Å; W94-Y98 WeakPolarHBondContact O-CB 3.49Å; W94-Y98 WeakPolarHBondContact O-CD2 3.2Å; W94-Y98 PolarHBondContact O-N 3.39Å; Y98-C100 PolarHBondContact O-N 3.31Å; Y98-W106 AromaticContact CD1-CH2 3.55Å; Y98-W106 HydrophobicContact CD1-CH2 3.55Å; Y98-W106 AromaticContact CD1-CZ2 3.77Å; Y98-W106 HydrophobicContact CD1-CZ2 3.77Å; Y98-W106 AromaticContact CE1-CH2 3.89Å; Y98-W106 HydrophobicContact CE1-CH2 3.89Å; Y98-S112 VanDerWaalsContact CE1-O 3.28Å; Y98-S112 WeakPolarHBondContact CE1-O 3.23Å; Y98-S112 PolarHBondContact OH-O 2.97Å; Y98-S162 VanDerWaalsContact OH-CA 3.26Å; Y98-S162 WeakPolarHBondContact OH-CA 3.48Å; Y98-S162 WeakPolarHBondContact OH-CB 3.27Å; Y98-L163 HydrophobicContact CE2-CD2 4.01Å; Y98-L163 HydrophobicContact CE2-CG 4.13Å; Y98-L163 WeakPolarHBondContact OH-CD2 3.45Å; Y98-L163 VanDerWaalsContact OH-CG 3.25Å; Y98-L163 WeakPolarHBondContact OH-CG 3.43Å; Y98-L163 PolarHBondContact OH-N 3.28Å
99S93.4Very high95.1Very high18 Ų1853.3 Ų53.313%0.12627%0.274CS..  trans-51.3136.6178.1174.70000112.4Q95 D101 W106Q95-S99 WeakPolarHBondContact O-CA 3.35Å; Q95-S99 WeakPolarHBondContact O-CB 3.5Å; Q95-S99 PolarHBondContact O-N 3.35Å; Q95-S99 VanDerWaalsContact O-N 3.16Å; S99-D101 VanDerWaalsContact C-N 3.33Å; S99-D101 PolarHBondContact OG-N 2.9Å; S99-D101 VanDerWaalsContact OG-N 3.1Å; S99-W106 PolarHBondContact O-NE1 2.81Å; S99-W106 VanDerWaalsContact O-NE1 3.17Å
100C90.9Very high94.7Very high107 Ų10762.2 Ų62.272%0.72331%0.309SS*.SBendtrans-82.7-7.6172.955.70000113.7Y98 V102Y98-C100 PolarHBondContact O-N 3.31Å; C100-V102 VanDerWaalsContact C-N 3.32Å; C100-V102 PolarHBondContact O-N 2.83Å
101D92.3Very high94.5Very high124 Ų12464.2 Ų64.266%0.66332%0.319SS*.  trans-84.9-8.2-172.8-57.2-34.2000113S99 P103S99-D101 VanDerWaalsContact C-N 3.33Å; S99-D101 PolarHBondContact OG-N 2.9Å; S99-D101 VanDerWaalsContact OG-N 3.1Å; D101-P103 WeakPolarHBondContact O-CD 3.33Å
102V94.2Very high94.4Very high14 Ų1466.3 Ų66.39%0.08533%0.333CS..SBendtrans-87.8118.2177.5-1740000109.3C100 V105 R126 R127C100-V102 VanDerWaalsContact C-N 3.32Å; C100-V102 PolarHBondContact O-N 2.83Å; V102-V105 HydrophobicContact CB-CG1 4.39Å; V102-V105 HydrophobicContact CB-CG2 4.04Å; V102-V105 HydrophobicContact CG1-CG1 3.65Å; V102-V105 HydrophobicContact CG1-CG2 4.22Å; V102-V105 WeakPolarHBondContact O-CG2 3.23Å; V102-R126 HydrophobicContact CG1-CB 4.16Å; V102-R126 HydrophobicContact CG1-CG 4.49Å; V102-R127 HydrophobicContact CG2-CG 4Å
103P93.7Very high94.2Very high86 Ų8668.7 Ų68.756%0.55834%0.344SS*.THydrogen-bonded Turntrans-68.7151.5-179.528.2-34.6000111.9D101 V105D101-P103 WeakPolarHBondContact O-CD 3.33Å; P103-V105 VanDerWaalsContact C-N 3.26Å; P103-V105 PolarHBondContact O-N 3.29Å
104D94.1Very high94.2Very high124 Ų12468.7 Ų68.766%0.66334%0.344SS*.THydrogen-bonded Turntrans60.123.5170.4-51.5-45.2000116.2F107D104-F107 HydrophobicContact CB-CZ 4.38Å; D104-F107 VanDerWaalsContact O-CE2 3.29Å; D104-F107 WeakPolarHBondContact O-CE2 3.41Å
105V96.1Very high94.1Very high1 Ų173.1 Ų73.11%0.00637%0.368CS..SBendtrans-106.5-15175.3-56.20000113.6V102 P103 Q111 P114 L115 D116V102-V105 HydrophobicContact CB-CG1 4.39Å; V102-V105 HydrophobicContact CB-CG2 4.04Å; V102-V105 HydrophobicContact CG1-CG1 3.65Å; V102-V105 HydrophobicContact CG1-CG2 4.22Å; V102-V105 WeakPolarHBondContact O-CG2 3.23Å; P103-V105 VanDerWaalsContact C-N 3.26Å; P103-V105 PolarHBondContact O-N 3.29Å; V105-Q111 PolarHBondContact O-NE2 2.89Å; V105-P114 HydrophobicContact CB-CB 3.88Å; V105-P114 HydrophobicContact CG2-CB 3.98Å; V105-L115 PolarHBondContact O-N 3.16Å; V105-L115 VanDerWaalsContact O-N 3.07Å; V105-D116 HydrophobicContact CG1-CB 4.06Å; V105-D116 WeakPolarHBondContact CG1-OD1 3.45Å; V105-D116 WeakPolarHBondContact CG1-OD2 3.2Å
106W95.3Very high94.1Very high83 Ų8368.5 Ų68.531%0.31435%0.347SS..  trans-125.5105.6-179.4-58.1116.2000110.8Y98 S99 Q111 E113 P114Y98-W106 AromaticContact CD1-CH2 3.55Å; Y98-W106 HydrophobicContact CD1-CH2 3.55Å; Y98-W106 AromaticContact CD1-CZ2 3.77Å; Y98-W106 HydrophobicContact CD1-CZ2 3.77Å; Y98-W106 AromaticContact CE1-CH2 3.89Å; Y98-W106 HydrophobicContact CE1-CH2 3.89Å; S99-W106 PolarHBondContact O-NE1 2.81Å; S99-W106 VanDerWaalsContact O-NE1 3.17Å; W106-Q111 HydrophobicContact CE3-CB 3.75Å; W106-Q111 HydrophobicContact CE3-CG 4.48Å; W106-Q111 HydrophobicContact CZ3-CB 3.62Å; W106-E113 VanDerWaalsContact CZ3-C 3.42Å; W106-E113 WeakPolarHBondContact CZ3-O 3.42Å; W106-P114 HydrophobicContact CH2-CB 3.95Å; W106-P114 HydrophobicContact CH2-CG 4.32Å; W106-P114 HydrophobicContact CZ2-CB 3.62Å; W106-P114 HydrophobicContact CZ2-CG 4.11Å
107F92.7Very high94.1Very high149 Ų14967.4 Ų67.465%0.65434%0.342SS*.SBendtrans-105.6-15.3175.6-71.1-89.2000113.1D104 L115D104-F107 HydrophobicContact CB-CZ 4.38Å; D104-F107 VanDerWaalsContact O-CE2 3.29Å; D104-F107 WeakPolarHBondContact O-CE2 3.41Å; F107-L115 HydrophobicContact CD2-CD1 3.35Å; F107-L115 HydrophobicContact CD2-CG 4.36Å; F107-L115 HydrophobicContact CE2-CD1 3.54Å
108S91Very high94.1Very high55 Ų5570 Ų7039%0.38535%0.354SS..  trans-149144-176.6175.30000111.9Y110 Q111S108-Y110 PolarHBondContact O-N 3.5Å; S108-Y110 VanDerWaalsContact O-N 3.11Å; S108-Y110 WeakPolarHBondContact OG-CD2 3.21Å; S108-Y110 PolarHBondContact OG-N 3.09Å; S108-Q111 VanDerWaalsContact N-OE1 3.14Å; S108-Q111 PolarHBondContact O-N 3.03Å
109K88.2Confident94.1Very high177 Ų17771.3 Ų71.377%0.7736%0.363SS*.THydrogen-bonded Turntrans-65.1-7.7171.969.3178.1-175.6177.40114.3
110Y89.8Confident94.3Very high187 Ų18772 Ų7273%0.73337%0.37SS*.THydrogen-bonded Turntrans-98.21.2-179.9-55.1-64.5000113.3S108S108-Y110 PolarHBondContact O-N 3.5Å; S108-Y110 VanDerWaalsContact O-N 3.11Å; S108-Y110 WeakPolarHBondContact OG-CD2 3.21Å; S108-Y110 PolarHBondContact OG-N 3.09Å
111Q93.6Very high94.5Very high43 Ų4373.6 Ų73.620%0.20137%0.371CS..  trans-71.1134.2174.1-75.6177-114.800111V105 W106 S108 E113V105-Q111 PolarHBondContact O-NE2 2.89Å; W106-Q111 HydrophobicContact CE3-CB 3.75Å; W106-Q111 HydrophobicContact CE3-CG 4.48Å; W106-Q111 HydrophobicContact CZ3-CB 3.62Å; S108-Q111 VanDerWaalsContact N-OE1 3.14Å; S108-Q111 PolarHBondContact O-N 3.03Å; Q111-E113 PolarHBondContact NE2-O 3.12Å
112S94Very high94.8Very high43 Ų4370.6 Ų70.630%0.30136%0.355SS..SBendtrans-90.6-14.8174.557.80000113.6Y98 V161Y98-S112 VanDerWaalsContact CE1-O 3.28Å; Y98-S112 WeakPolarHBondContact CE1-O 3.23Å; Y98-S112 PolarHBondContact OH-O 2.97Å; S112-V161 WeakPolarHBondContact CA-O 3.32Å
113E95.6Very high94.9Very high56 Ų5670 Ų7026%0.26235%0.351SS..SBendtrans-151.9151.3-17661.1-174.7-168.900109.7W106 Q111 I117 H118W106-E113 VanDerWaalsContact CZ3-C 3.42Å; W106-E113 WeakPolarHBondContact CZ3-O 3.42Å; Q111-E113 PolarHBondContact NE2-O 3.12Å; E113-I117 HydrophobicContact CB-CD1 4.3Å; E113-I117 HydrophobicContact CB-CG2 4.09Å; E113-I117 HydrophobicContact CG-CG2 3.99Å; E113-H118 VanDerWaalsContact CD-NE2 3.33Å; E113-H118 IonicContact OE1-CD2 3.3Å; E113-H118 IonicContact OE1-CE1 2.72Å; E113-H118 IonicContact OE1-NE2 2.71Å; E113-H118 PolarHBondContact OE1-NE2 2.8Å; E113-H118 IonicContact OE2-CE1 3.51Å; E113-H118 IonicContact OE2-NE2 3.21Å; E113-H118 PolarHBondContact OE2-NE2 3.47Å
114P96.9Very high95.1Very high0 Ų066.8 Ų66.80%033%0.328CS..  trans-68143.9177.227.8-32000109.4V105 W106 D116 I117 F123V105-P114 HydrophobicContact CB-CB 3.88Å; V105-P114 HydrophobicContact CG2-CB 3.98Å; W106-P114 HydrophobicContact CH2-CB 3.95Å; W106-P114 HydrophobicContact CH2-CG 4.32Å; W106-P114 HydrophobicContact CZ2-CB 3.62Å; W106-P114 HydrophobicContact CZ2-CG 4.11Å; P114-D116 WeakPolarHBondContact CB-OD1 3.16Å; P114-D116 PolarHBondContact O-N 2.57Å; P114-I117 HydrophobicContact CG-CB 4.07Å; P114-I117 WeakPolarHBondContact O-CB 3.38Å; P114-I117 WeakPolarHBondContact O-CG2 3.32Å; P114-I117 PolarHBondContact O-N 3.02Å; P114-F123 HydrophobicContact CG-CD2 4.42Å; P114-F123 HydrophobicContact CG-CE2 3.97Å
115L96.5Very high95.2Very high106 Ų10664.5 Ų64.556%0.55532%0.32SS*.THydrogen-bonded Turntrans-59.3-25.3-174.3-71.2-171.9000114V105 F107V105-L115 PolarHBondContact O-N 3.16Å; V105-L115 VanDerWaalsContact O-N 3.07Å; F107-L115 HydrophobicContact CD2-CD1 3.35Å; F107-L115 HydrophobicContact CD2-CG 4.36Å; F107-L115 HydrophobicContact CE2-CD1 3.54Å
116D97.1Very high95.3Very high6 Ų669.6 Ų69.63%0.03234%0.339CS..THydrogen-bonded Turntrans-84.2-8.5-179.564.6-16.4000113.9V105 P114 H118 D119 L122 F123 R126 R127V105-D116 HydrophobicContact CG1-CB 4.06Å; V105-D116 WeakPolarHBondContact CG1-OD1 3.45Å; V105-D116 WeakPolarHBondContact CG1-OD2 3.2Å; P114-D116 WeakPolarHBondContact CB-OD1 3.16Å; P114-D116 PolarHBondContact O-N 2.57Å; D116-H118 PolarHBondContact O-N 2.66Å; D116-D119 WeakPolarHBondContact O-CA 3.44Å; D116-D119 WeakPolarHBondContact O-CB 3.41Å; D116-D119 PolarHBondContact O-N 3.47Å; D116-L122 HydrophobicContact CB-CB 3.88Å; D116-F123 WeakPolarHBondContact O-CB 3.3Å; D116-R126 IonicContact OD2-NH1 2.57Å; D116-R127 IonicContact OD1-CZ 2.7Å; D116-R127 IonicContact OD1-NH1 3.7Å; D116-R127 PolarHBondContact OD1-NH1 2.82Å; D116-R127 IonicContact OD1-NH2 2.75Å; D116-R127 PolarHBondContact OD1-NH2 3.39Å; D116-R127 IonicContact OD2-CZ 3.2Å; D116-R127 IonicContact OD2-NH1 2.77Å; D116-R127 PolarHBondContact OD2-NH1 2.6Å; D116-R127 IonicContact OD2-NH2 2.83Å
117I97.3Very high95.4Very high1 Ų165.8 Ų65.81%0.00532%0.324CS..THydrogen-bonded Turntrans-54.2-32.2-171.5-160.3173.3000114.1I97 E113 P114 F123 L163 F204I97-I117 HydrophobicContact CG2-CD1 4.3Å; E113-I117 HydrophobicContact CB-CD1 4.3Å; E113-I117 HydrophobicContact CB-CG2 4.09Å; E113-I117 HydrophobicContact CG-CG2 3.99Å; P114-I117 HydrophobicContact CG-CB 4.07Å; P114-I117 WeakPolarHBondContact O-CB 3.38Å; P114-I117 WeakPolarHBondContact O-CG2 3.32Å; P114-I117 PolarHBondContact O-N 3.02Å; I117-F123 HydrophobicContact CB-CD2 4.2Å; I117-F123 HydrophobicContact CB-CE2 4.3Å; I117-F123 HydrophobicContact CG1-CD2 4.2Å; I117-F123 HydrophobicContact CG1-CE1 4.42Å; I117-F123 HydrophobicContact CG1-CE2 3.97Å; I117-F123 HydrophobicContact CG1-CZ 4.08Å; I117-L163 HydrophobicContact CD1-CD2 3.88Å; I117-F204 HydrophobicContact CD1-CD1 3.92Å; I117-F204 HydrophobicContact CD1-CE1 3.79Å; I117-F204 HydrophobicContact CD1-CE2 4.46Å; I117-F204 HydrophobicContact CD1-CG 4.31Å; I117-F204 HydrophobicContact CD1-CZ 4.09Å; I117-F204 HydrophobicContact CG1-CB 4.3Å; I117-F204 HydrophobicContact CG1-CD1 3.7Å; I117-F204 HydrophobicContact CG1-CE1 4.11Å; I117-F204 HydrophobicContact CG1-CG 3.98Å; I117-F204 HydrophobicContact CG2-CD1 4.45Å; I117-F204 VanDerWaalsContact O-CB 3.29Å; I117-F204 WeakPolarHBondContact O-CB 3.26Å
118H97.2Very high95.6Very high55 Ų5562.8 Ų62.826%0.25531%0.311SS..THydrogen-bonded Turntrans-91.24.7-179.9-61.2-63.1000114.2E113 D116 F204 R205 R208E113-H118 VanDerWaalsContact CD-NE2 3.33Å; E113-H118 IonicContact OE1-CD2 3.3Å; E113-H118 IonicContact OE1-CE1 2.72Å; E113-H118 IonicContact OE1-NE2 2.71Å; E113-H118 PolarHBondContact OE1-NE2 2.8Å; E113-H118 IonicContact OE2-CE1 3.51Å; E113-H118 IonicContact OE2-NE2 3.21Å; E113-H118 PolarHBondContact OE2-NE2 3.47Å; D116-H118 PolarHBondContact O-N 2.66Å; H118-F204 AromaticContact CE1-CD1 3.64Å; H118-F204 AromaticContact CE1-CE1 3.65Å; H118-F204 AromaticContact ND1-CD1 3.72Å; H118-R205 HydrophobicContact CB-CB 4.15Å; H118-R205 WeakPolarHBondContact O-CB 3.34Å; H118-R205 WeakPolarHBondContact O-CD 3.17Å; H118-R208 PolarHBondContact CE1-NH1 3.37Å
119D97Very high95.9Very high63 Ų6365.1 Ų65.134%0.33732%0.319SS..  trans-111.9105.3178.8-169.4-27.3000109.8D116 D121 L122 F123D116-D119 WeakPolarHBondContact O-CA 3.44Å; D116-D119 WeakPolarHBondContact O-CB 3.41Å; D116-D119 PolarHBondContact O-N 3.47Å; D119-D121 PolarHBondContact O-N 3.11Å; D119-D121 WeakPolarHBondContact OD1-CB 3.37Å; D119-D121 PolarHBondContact OD1-N 2.95Å; D119-L122 HydrophobicContact CB-CB 4.14Å; D119-L122 HydrophobicContact CB-CD1 4.28Å; D119-L122 HydrophobicContact CB-CG 4.32Å; D119-L122 PolarHBondContact O-N 3.17Å; D119-L122 PolarHBondContact OD1-N 2.93Å; D119-L122 WeakPolarHBondContact OD2-CD1 3.47Å; D119-F123 WeakPolarHBondContact O-CB 3.4Å; D119-F123 PolarHBondContact O-N 3.38Å
120A95.9Very high96.3Very high32 Ų3261.8 Ų61.826%0.26431%0.306SS..THydrogen-bonded Turntrans-65.4-26.2-178.600000112.9L122 P125 D203A120-L122 VanDerWaalsContact C-N 3.28Å; A120-P125 WeakPolarHBondContact O-CD 3.3Å; A120-D203 HydrophobicContact CB-CB 4Å
121D96.7Very high96.7Very high140 Ų14052.9 Ų52.975%0.74927%0.271SS*.THydrogen-bonded Turntrans-80.1-13.7179.7-63.2-38.4000111.8D119D119-D121 PolarHBondContact O-N 3.11Å; D119-D121 WeakPolarHBondContact OD1-CB 3.37Å; D119-D121 PolarHBondContact OD1-N 2.95Å
122L97.2Very high96.9Very high61 Ų6154.7 Ų54.732%0.31928%0.28SS..THydrogen-bonded Turntrans-112.3-53.4179.1-62-178.7000113.2D116 D119 A120 W124 R126D116-L122 HydrophobicContact CB-CB 3.88Å; D119-L122 HydrophobicContact CB-CB 4.14Å; D119-L122 HydrophobicContact CB-CD1 4.28Å; D119-L122 HydrophobicContact CB-CG 4.32Å; D119-L122 PolarHBondContact O-N 3.17Å; D119-L122 PolarHBondContact OD1-N 2.93Å; D119-L122 WeakPolarHBondContact OD2-CD1 3.47Å; A120-L122 VanDerWaalsContact C-N 3.28Å; L122-W124 PolarHBondContact O-N 3.2Å; L122-R126 WeakPolarHBondContact O-CB 3.37Å; L122-R126 VanDerWaalsContact O-CD 3.29Å; L122-R126 WeakPolarHBondContact O-CD 3.19Å; L122-R126 WeakPolarHBondContact O-CG 3.45Å; L122-R126 PolarHBondContact O-N 3.17Å
123F97.5Very high97.1Very high2 Ų259.4 Ų59.41%0.00930%0.295CS..Hα-helixtrans-61-52.1-169.9-177.1-109.5000113I97 P114 D116 I117 D119 R127 F131 A201I97-F123 HydrophobicContact CG1-CZ 4.35Å; I97-F123 HydrophobicContact CG2-CZ 4.29Å; P114-F123 HydrophobicContact CG-CD2 4.42Å; P114-F123 HydrophobicContact CG-CE2 3.97Å; D116-F123 WeakPolarHBondContact O-CB 3.3Å; I117-F123 HydrophobicContact CB-CD2 4.2Å; I117-F123 HydrophobicContact CB-CE2 4.3Å; I117-F123 HydrophobicContact CG1-CD2 4.2Å; I117-F123 HydrophobicContact CG1-CE1 4.42Å; I117-F123 HydrophobicContact CG1-CE2 3.97Å; I117-F123 HydrophobicContact CG1-CZ 4.08Å; D119-F123 WeakPolarHBondContact O-CB 3.4Å; D119-F123 PolarHBondContact O-N 3.38Å; F123-R127 PolarHBondContact O-NH1 2.93Å; F123-F131 AromaticContact CE1-CE2 3.75Å; F123-F131 HydrophobicContact CE1-CE2 3.75Å; F123-F131 AromaticContact CE1-CZ 3.82Å; F123-F131 HydrophobicContact CE1-CZ 3.82Å; F123-F131 AromaticContact CZ-CE2 3.88Å; F123-F131 HydrophobicContact CZ-CE2 3.88Å; F123-F131 AromaticContact CZ-CZ 3.71Å; F123-F131 HydrophobicContact CZ-CZ 3.71Å; F123-A201 WeakPolarHBondContact CD1-O 3.1Å; F123-A201 HydrophobicContact CE1-CB 4.45Å
124W97.1Very high97.2Very high19 Ų1957.7 Ų57.77%0.07229%0.286CS..Hα-helixtrans-66.8-54.7-177.1170.2-107.1000112L122 R126 R127 K128 F131 E132 F135 Y198 A201 F202L122-W124 PolarHBondContact O-N 3.2Å; W124-R126 VanDerWaalsContact C-N 3.28Å; W124-R126 PolarHBondContact O-N 2.84Å; W124-R127 CarbonylContact O-C 3.57Å; W124-R127 PolarHBondContact O-N 2.76Å; W124-R127 VanDerWaalsContact O-N 3.12Å; W124-K128 HydrophobicContact CH2-CG 4.34Å; W124-K128 HydrophobicContact CZ2-CB 4.46Å; W124-K128 HydrophobicContact CZ2-CD 4.39Å; W124-K128 HydrophobicContact CZ2-CG 3.74Å; W124-K128 WeakPolarHBondContact O-CA 3.48Å; W124-K128 PolarHBondContact O-N 2.73Å; W124-F131 HydrophobicContact CE3-CB 4.47Å; W124-F131 HydrophobicContact CE3-CD2 4.17Å; W124-F131 HydrophobicContact CH2-CB 4.25Å; W124-F131 HydrophobicContact CZ3-CB 3.62Å; W124-F131 HydrophobicContact CZ3-CD2 4.12Å; W124-F131 HydrophobicContact CZ3-CG 4.11Å; W124-E132 HydrophobicContact CH2-CG 4.01Å; W124-E132 HydrophobicContact CZ2-CG 4.35Å; W124-F135 HydrophobicContact CH2-CE2 4.24Å; W124-F135 AromaticContact CZ3-CE2 4Å; W124-F135 HydrophobicContact CZ3-CE2 4Å; W124-Y198 AromaticContact CH2-CD2 3.77Å; W124-Y198 HydrophobicContact CH2-CD2 3.77Å; W124-Y198 AromaticContact CH2-CE2 3.63Å; W124-Y198 HydrophobicContact CH2-CE2 3.63Å; W124-Y198 HydrophobicContact CZ2-CD2 4.24Å; W124-Y198 AromaticContact CZ2-CE2 3.61Å; W124-Y198 HydrophobicContact CZ2-CE2 3.61Å; W124-Y198 HydrophobicContact CZ3-CD2 4.41Å; W124-A201 HydrophobicContact CE3-CB 3.85Å; W124-A201 HydrophobicContact CZ3-CB 3.95Å; W124-F202 AromaticContact CD1-CD2 3.83Å; W124-F202 HydrophobicContact CD2-CD2 4.29Å; W124-F202 HydrophobicContact CG-CD2 4.14Å; W124-F202 AromaticContact NE1-CD2 3.79Å
125P97.1Very high97.3Very high76 Ų7658.4 Ų58.449%0.49429%0.289SS..Hα-helixtrans-58.8-36.5-177.6-27.337.6000113.9A120 R127A120-P125 WeakPolarHBondContact O-CD 3.3Å; P125-R127 VanDerWaalsContact C-N 3.27Å; P125-R127 PolarHBondContact O-N 3.27Å
126R97.1Very high97.4Very high107 Ų10759.9 Ų59.940%0.40429%0.294SS..Hα-helixtrans-70.1-20.9-179.1-70.2172.6177.3-165.2-5.5114V102 D116 L122 W124V102-R126 HydrophobicContact CG1-CB 4.16Å; V102-R126 HydrophobicContact CG1-CG 4.49Å; D116-R126 IonicContact OD2-NH1 2.57Å; L122-R126 WeakPolarHBondContact O-CB 3.37Å; L122-R126 VanDerWaalsContact O-CD 3.29Å; L122-R126 WeakPolarHBondContact O-CD 3.19Å; L122-R126 WeakPolarHBondContact O-CG 3.45Å; L122-R126 PolarHBondContact O-N 3.17Å; W124-R126 VanDerWaalsContact C-N 3.28Å; W124-R126 PolarHBondContact O-N 2.84Å
127R97.2Very high97.4Very high4 Ų462.6 Ų62.62%0.01531%0.308CS..Hα-helixtrans-123.14.4-175.9-66.4166.6-178.183.2-7.5113.5E96 V102 D116 F123 W124 P125 D129 H130 F131E96-R127 WeakPolarHBondContact O-CD 3.46Å; E96-R127 PolarHBondContact O-NE 2.89Å; V102-R127 HydrophobicContact CG2-CG 4Å; D116-R127 IonicContact OD1-CZ 2.7Å; D116-R127 IonicContact OD1-NH1 3.7Å; D116-R127 PolarHBondContact OD1-NH1 2.82Å; D116-R127 IonicContact OD1-NH2 2.75Å; D116-R127 PolarHBondContact OD1-NH2 3.39Å; D116-R127 IonicContact OD2-CZ 3.2Å; D116-R127 IonicContact OD2-NH1 2.77Å; D116-R127 PolarHBondContact OD2-NH1 2.6Å; D116-R127 IonicContact OD2-NH2 2.83Å; F123-R127 PolarHBondContact O-NH1 2.93Å; W124-R127 CarbonylContact O-C 3.57Å; W124-R127 PolarHBondContact O-N 2.76Å; W124-R127 VanDerWaalsContact O-N 3.12Å; P125-R127 VanDerWaalsContact C-N 3.27Å; P125-R127 PolarHBondContact O-N 3.27Å; R127-D129 PolarHBondContact O-N 3.25Å; R127-H130 WeakPolarHBondContact O-CB 3.44Å; R127-H130 PolarHBondContact O-N 3.03Å; R127-F131 HydrophobicContact CB-CD2 3.54Å; R127-F131 HydrophobicContact CB-CE2 3.51Å; R127-F131 HydrophobicContact CG-CE2 4.29Å; R127-F131 PolarHBondContact O-N 3.39Å
128K97.1Very high97.4Very high86 Ų8662.6 Ų62.637%0.37431%0.308SS..Hα-helixtrans-48.9-54.7-171-179.9-178.8175.6-167.50112.7W124 H130 F131 E132W124-K128 HydrophobicContact CH2-CG 4.34Å; W124-K128 HydrophobicContact CZ2-CB 4.46Å; W124-K128 HydrophobicContact CZ2-CD 4.39Å; W124-K128 HydrophobicContact CZ2-CG 3.74Å; W124-K128 WeakPolarHBondContact O-CA 3.48Å; W124-K128 PolarHBondContact O-N 2.73Å; K128-H130 PolarHBondContact O-N 3.38Å; K128-F131 PolarHBondContact O-N 3.02Å; K128-E132 WeakPolarHBondContact CE-OE1 3.44Å; K128-E132 WeakPolarHBondContact CE-OE2 3.32Å; K128-E132 HydrophobicContact CG-CG 4.25Å; K128-E132 IonicContact NZ-OE1 3.84Å; K128-E132 WeakPolarHBondContact O-CB 3.49Å; K128-E132 WeakPolarHBondContact O-CG 3.36Å; K128-E132 PolarHBondContact O-N 2.89Å
129D97.4Very high97.3Very high104 Ų10463.1 Ų63.156%0.55632%0.315SS*.Hα-helixtrans-61.9-33.7-176.5-65.5-5.5000112.7R127 K133R127-D129 PolarHBondContact O-N 3.25Å; D129-K133 WeakPolarHBondContact O-CB 3.36Å; D129-K133 WeakPolarHBondContact O-CD 3.26Å; D129-K133 WeakPolarHBondContact O-CG 3.29Å; D129-K133 PolarHBondContact O-N 3.08Å
130H97.5Very high97.3Very high106 Ų10664.9 Ų64.949%0.49133%0.328SS..Hα-helixtrans-72.7-46178-65.184000110.7E96 R127 K128 K134E96-H130 HydrophobicContact CG-CB 4.16Å; R127-H130 WeakPolarHBondContact O-CB 3.44Å; R127-H130 PolarHBondContact O-N 3.03Å; K128-H130 PolarHBondContact O-N 3.38Å; H130-K134 WeakPolarHBondContact O-CB 3.28Å; H130-K134 PolarHBondContact O-N 3.33Å
131F98.2Very high97.3Very high0 Ų064.7 Ų64.70%032%0.322CS..Hα-helixtrans-63.9-44.6176.2-81.2-59.2000112.6F89 C93 E96 I97 F123 W124 R127 K128 K133 K134 F135 A201F89-F131 AromaticContact CE2-CE1 3.96Å; F89-F131 HydrophobicContact CE2-CE1 3.96Å; F89-F131 AromaticContact CZ-CE1 3.94Å; F89-F131 HydrophobicContact CZ-CE1 3.94Å; F89-F131 HydrophobicContact CZ-CZ 4.22Å; C93-F131 HydrophobicContact CB-CE1 4.13Å; E96-F131 HydrophobicContact CB-CD1 3.6Å; E96-F131 HydrophobicContact CB-CE1 3.34Å; E96-F131 HydrophobicContact CB-CE2 4.4Å; E96-F131 HydrophobicContact CB-CG 4.22Å; E96-F131 HydrophobicContact CB-CZ 3.78Å; E96-F131 HydrophobicContact CG-CD1 4.08Å; E96-F131 HydrophobicContact CG-CE1 4.29Å; I97-F131 HydrophobicContact CG1-CE1 4.09Å; I97-F131 HydrophobicContact CG1-CZ 3.91Å; F123-F131 AromaticContact CE1-CE2 3.75Å; F123-F131 HydrophobicContact CE1-CE2 3.75Å; F123-F131 AromaticContact CE1-CZ 3.82Å; F123-F131 HydrophobicContact CE1-CZ 3.82Å; F123-F131 AromaticContact CZ-CE2 3.88Å; F123-F131 HydrophobicContact CZ-CE2 3.88Å; F123-F131 AromaticContact CZ-CZ 3.71Å; F123-F131 HydrophobicContact CZ-CZ 3.71Å; W124-F131 HydrophobicContact CE3-CB 4.47Å; W124-F131 HydrophobicContact CE3-CD2 4.17Å; W124-F131 HydrophobicContact CH2-CB 4.25Å; W124-F131 HydrophobicContact CZ3-CB 3.62Å; W124-F131 HydrophobicContact CZ3-CD2 4.12Å; W124-F131 HydrophobicContact CZ3-CG 4.11Å; R127-F131 HydrophobicContact CB-CD2 3.54Å; R127-F131 HydrophobicContact CB-CE2 3.51Å; R127-F131 HydrophobicContact CG-CE2 4.29Å; R127-F131 PolarHBondContact O-N 3.39Å; K128-F131 PolarHBondContact O-N 3.02Å; F131-K133 PolarHBondContact O-N 3Å; F131-K134 WeakPolarHBondContact O-CB 3.41Å; F131-K134 PolarHBondContact O-N 3.13Å; F131-K134 VanDerWaalsContact O-N 3.13Å; F131-F135 HydrophobicContact CB-CD2 4.43Å; F131-F135 HydrophobicContact CB-CE2 3.78Å; F131-F135 HydrophobicContact CB-CZ 3.86Å; F131-F135 HydrophobicContact CD1-CE1 4.03Å; F131-F135 HydrophobicContact CD1-CE2 4.44Å; F131-F135 AromaticContact CD1-CZ 3.66Å; F131-F135 HydrophobicContact CD1-CZ 3.66Å; F131-F135 HydrophobicContact CG-CE2 4.42Å; F131-F135 HydrophobicContact CG-CZ 4.06Å; F131-F135 WeakPolarHBondContact O-CB 3.44Å; F131-F135 WeakPolarHBondContact O-CD1 3.19Å; F131-F135 VanDerWaalsContact O-CD2 3.24Å; F131-F135 WeakPolarHBondContact O-CD2 3.18Å; F131-F135 WeakPolarHBondContact O-CG 3.35Å; F131-F135 PolarHBondContact O-N 3.34Å; F131-A201 HydrophobicContact CD1-CB 4.2Å; F131-A201 HydrophobicContact CD2-CB 4.16Å; F131-A201 HydrophobicContact CE1-CB 4.19Å; F131-A201 HydrophobicContact CE2-CB 4.14Å; F131-A201 HydrophobicContact CG-CB 4.2Å; F131-A201 HydrophobicContact CZ-CB 4.18Å
132E98Very high97.3Very high81 Ų8160.2 Ų60.238%0.37930%0.302SS..Hα-helixtrans-62-45.3-180-73.9-176.4164.300111.6W124 K128 K134 F135 E136W124-E132 HydrophobicContact CH2-CG 4.01Å; W124-E132 HydrophobicContact CZ2-CG 4.35Å; K128-E132 WeakPolarHBondContact CE-OE1 3.44Å; K128-E132 WeakPolarHBondContact CE-OE2 3.32Å; K128-E132 HydrophobicContact CG-CG 4.25Å; K128-E132 IonicContact NZ-OE1 3.84Å; K128-E132 WeakPolarHBondContact O-CB 3.49Å; K128-E132 WeakPolarHBondContact O-CG 3.36Å; K128-E132 PolarHBondContact O-N 2.89Å; E132-K134 VanDerWaalsContact C-N 3.29Å; E132-K134 PolarHBondContact O-N 2.85Å; E132-F135 PolarHBondContact O-N 3.39Å; E132-E136 WeakPolarHBondContact O-CB 3.22Å; E132-E136 PolarHBondContact O-N 2.99Å
133K98.1Very high97.2Very high142 Ų14258.4 Ų58.462%0.61730%0.296SS*.Hα-helixtrans-58.9-40.9172.5-73.7172.4-174.8172.40112D129 F131 L137D129-K133 WeakPolarHBondContact O-CB 3.36Å; D129-K133 WeakPolarHBondContact O-CD 3.26Å; D129-K133 WeakPolarHBondContact O-CG 3.29Å; D129-K133 PolarHBondContact O-N 3.08Å; F131-K133 PolarHBondContact O-N 3Å; K133-L137 WeakPolarHBondContact O-CB 3.49Å; K133-L137 PolarHBondContact O-N 3.37Å
134K98.1Very high97.1Very high20 Ų2064.6 Ų64.69%0.08733%0.325CS..Hα-helixtrans-66.6-41.3179.1-174.752.1155.6-88.30112.3L92 E96 H130 F131 E132 L137 L138L92-K134 WeakPolarHBondContact O-CE 3.12Å; L92-K134 PolarHBondContact O-NZ 3.04Å; E96-K134 VanDerWaalsContact CD-NZ 3.28Å; E96-K134 HydrophobicContact CG-CB 4.04Å; E96-K134 HydrophobicContact CG-CG 4.27Å; E96-K134 WeakPolarHBondContact OE1-CB 3.29Å; E96-K134 WeakPolarHBondContact OE1-CD 3.46Å; E96-K134 WeakPolarHBondContact OE1-CG 3.33Å; E96-K134 IonicContact OE1-NZ 3.56Å; E96-K134 PolarHBondContact OE1-NZ 2.83Å; E96-K134 IonicContact OE2-NZ 3.34Å; E96-K134 PolarHBondContact OE2-NZ 3.01Å; H130-K134 WeakPolarHBondContact O-CB 3.28Å; H130-K134 PolarHBondContact O-N 3.33Å; F131-K134 WeakPolarHBondContact O-CB 3.41Å; F131-K134 PolarHBondContact O-N 3.13Å; F131-K134 VanDerWaalsContact O-N 3.13Å; E132-K134 VanDerWaalsContact C-N 3.29Å; E132-K134 PolarHBondContact O-N 2.85Å; K134-L137 HydrophobicContact CD-CD2 4.43Å; K134-L137 PolarHBondContact O-N 3.47Å; K134-L138 HydrophobicContact CG-CD1 4.46Å; K134-L138 WeakPolarHBondContact O-CB 3.34Å; K134-L138 VanDerWaalsContact O-CG 3.31Å; K134-L138 WeakPolarHBondContact O-CG 3.5Å; K134-L138 PolarHBondContact O-N 3.48Å
135F98Very high97.2Very high15 Ų1567.3 Ų67.37%0.06634%0.341CS..Hα-helixtrans-68.5-41178.1-61.1-22.2000111.8W124 F131 E132 L138 T139 A194 F197 Y198 A201W124-F135 HydrophobicContact CH2-CE2 4.24Å; W124-F135 AromaticContact CZ3-CE2 4Å; W124-F135 HydrophobicContact CZ3-CE2 4Å; F131-F135 HydrophobicContact CB-CD2 4.43Å; F131-F135 HydrophobicContact CB-CE2 3.78Å; F131-F135 HydrophobicContact CB-CZ 3.86Å; F131-F135 HydrophobicContact CD1-CE1 4.03Å; F131-F135 HydrophobicContact CD1-CE2 4.44Å; F131-F135 AromaticContact CD1-CZ 3.66Å; F131-F135 HydrophobicContact CD1-CZ 3.66Å; F131-F135 HydrophobicContact CG-CE2 4.42Å; F131-F135 HydrophobicContact CG-CZ 4.06Å; F131-F135 WeakPolarHBondContact O-CB 3.44Å; F131-F135 WeakPolarHBondContact O-CD1 3.19Å; F131-F135 VanDerWaalsContact O-CD2 3.24Å; F131-F135 WeakPolarHBondContact O-CD2 3.18Å; F131-F135 WeakPolarHBondContact O-CG 3.35Å; F131-F135 PolarHBondContact O-N 3.34Å; E132-F135 PolarHBondContact O-N 3.39Å; F135-L138 HydrophobicContact CD1-CD1 4.31Å; F135-L138 PolarHBondContact O-N 3.06Å; F135-T139 WeakPolarHBondContact O-CG2 3.46Å; F135-T139 PolarHBondContact O-N 3.36Å; F135-T139 VanDerWaalsContact O-N 3.16Å; F135-A194 HydrophobicContact CB-CB 4.01Å; F135-F197 HydrophobicContact CD1-CB 4.15Å; F135-F197 HydrophobicContact CE1-CB 3.45Å; F135-F197 VanDerWaalsContact CE1-CB 3.45Å; F135-F197 HydrophobicContact CE1-CD2 4.5Å; F135-F197 HydrophobicContact CZ-CB 3.94Å; F135-Y198 HydrophobicContact CD2-CD2 4.18Å; F135-Y198 VanDerWaalsContact CE2-CA 3.42Å; F135-Y198 HydrophobicContact CE2-CD2 4.06Å; F135-Y198 HydrophobicContact CE2-CG 4.4Å; F135-A201 HydrophobicContact CZ-CB 4.07Å
136E97.9Very high97.2Very high137 Ų13763.9 Ų63.964%0.6432%0.318SS*.Hα-helixtrans-58.8-49.7171.8-175.9175.9-165.100110.5E132 L138 T139E132-E136 WeakPolarHBondContact O-CB 3.22Å; E132-E136 PolarHBondContact O-N 2.99Å; E136-L138 PolarHBondContact O-N 3.26Å; E136-T139 PolarHBondContact O-N 2.9Å; E136-T139 VanDerWaalsContact O-N 3.11Å; E136-T139 PolarHBondContact O-OG1 2.76Å
137L97.7Very high97.2Very high63 Ų6360 Ų6033%0.3331%0.307SS..Hα-helixtrans-55.9-49.9176.6177.462.8000111.7K133 K134 T139 T140 L141K133-L137 WeakPolarHBondContact O-CB 3.49Å; K133-L137 PolarHBondContact O-N 3.37Å; K134-L137 HydrophobicContact CD-CD2 4.43Å; K134-L137 PolarHBondContact O-N 3.47Å; L137-T139 PolarHBondContact O-N 3.18Å; L137-T140 PolarHBondContact O-N 3Å; L137-T140 PolarHBondContact O-OG1 3.27Å; L137-L141 HydrophobicContact CD1-CD2 3.78Å; L137-L141 HydrophobicContact CG-CD2 4.04Å; L137-L141 HydrophobicContact CG-CG 4.41Å; L137-L141 WeakPolarHBondContact O-CG 3.12Å; L137-L141 PolarHBondContact O-N 3.29Å
138L97.2Very high97.2Very high1 Ų163.7 Ų63.71%0.00533%0.325CS..Hα-helixtrans-54.4-36178.7-78.9171.7000112.6L92 K134 F135 E136 T140 L141 G190 A194 F197L92-L138 HydrophobicContact CB-CD2 4.43Å; L92-L138 HydrophobicContact CD1-CD2 4.22Å; L92-L138 HydrophobicContact CD2-CD2 4.32Å; K134-L138 HydrophobicContact CG-CD1 4.46Å; K134-L138 WeakPolarHBondContact O-CB 3.34Å; K134-L138 VanDerWaalsContact O-CG 3.31Å; K134-L138 WeakPolarHBondContact O-CG 3.5Å; K134-L138 PolarHBondContact O-N 3.48Å; F135-L138 HydrophobicContact CD1-CD1 4.31Å; F135-L138 PolarHBondContact O-N 3.06Å; E136-L138 PolarHBondContact O-N 3.26Å; L138-T140 PolarHBondContact O-N 3.13Å; L138-L141 HydrophobicContact CD2-CD1 4.01Å; L138-G190 VanDerWaalsContact O-CA 3.3Å; L138-G190 WeakPolarHBondContact O-CA 3.36Å; L138-A194 HydrophobicContact CB-CB 4.26Å; L138-F197 HydrophobicContact CD1-CD2 3.73Å; L138-F197 HydrophobicContact CD1-CE2 3.95Å
139T95.5Very high97.3Very high66 Ų6663.3 Ų63.341%0.40532%0.321SS..Hα-helixtrans-68.2-19.2178.770.90000113.5F135 E136 L137 D191 A194F135-T139 WeakPolarHBondContact O-CG2 3.46Å; F135-T139 PolarHBondContact O-N 3.36Å; F135-T139 VanDerWaalsContact O-N 3.16Å; E136-T139 PolarHBondContact O-N 2.9Å; E136-T139 VanDerWaalsContact O-N 3.11Å; E136-T139 PolarHBondContact O-OG1 2.76Å; L137-T139 PolarHBondContact O-N 3.18Å; T139-D191 HydrophobicContact CG2-CB 4.49Å; T139-A194 HydrophobicContact CG2-CB 3.93Å
140T96.2Very high97.3Very high100 Ų10058.3 Ų58.361%0.61329%0.294SS*.Hα-helixtrans-102.8-11.2-177.367.40000114.4L137 L138L137-T140 PolarHBondContact O-N 3Å; L137-T140 PolarHBondContact O-OG1 3.27Å; L138-T140 PolarHBondContact O-N 3.13Å
141L96.2Very high97.3Very high28 Ų2857 Ų5715%0.14729%0.285CS..  trans-69.5141.3-176-67.3-171.6000112.3L137 L138 D145 I146L137-L141 HydrophobicContact CD1-CD2 3.78Å; L137-L141 HydrophobicContact CG-CD2 4.04Å; L137-L141 HydrophobicContact CG-CG 4.41Å; L137-L141 WeakPolarHBondContact O-CG 3.12Å; L137-L141 PolarHBondContact O-N 3.29Å; L138-L141 HydrophobicContact CD2-CD1 4.01Å; L141-D145 HydrophobicContact CB-CB 3.97Å; L141-D145 HydrophobicContact CD1-CB 4.38Å; L141-D145 HydrophobicContact CD2-CB 3.87Å; L141-D145 HydrophobicContact CG-CB 4.27Å; L141-I146 HydrophobicContact CB-CD1 4.47Å; L141-I146 HydrophobicContact CB-CG1 3.88Å; L141-I146 HydrophobicContact CD1-CG1 4.12Å
142S96.5Very high97.2Very high46 Ų4662 Ų6232%0.32231%0.308SS..  trans-69.7168.1165.769.20000111.3E144 D145 I146S142-E144 PolarHBondContact O-N 2.92Å; S142-D145 WeakPolarHBondContact CB-OD2 3.31Å; S142-D145 PolarHBondContact N-OD2 3.16Å; S142-D145 PolarHBondContact O-N 2.65Å; S142-D145 PolarHBondContact OG-N 3.11Å; S142-D145 VanDerWaalsContact OG-N 3.07Å; S142-D145 PolarHBondContact OG-OD2 3.35Å; S142-I146 WeakPolarHBondContact O-CG1 3.45Å; S142-I146 PolarHBondContact O-N 3.18Å; S142-I146 VanDerWaalsContact O-N 3.09Å
143A95.1Very high97.2Very high23 Ų2359 Ų5919%0.1930%0.296CS..Hα-helixtrans-61.9-38174.300000110.7I146 C147 T186A143-I146 PolarHBondContact O-N 3.03Å; A143-C147 PolarHBondContact O-N 3.17Å; A143-C147 PolarHBondContact O-SG 3.4Å; A143-T186 HydrophobicContact CB-CG2 3.74Å; A143-T186 WeakPolarHBondContact O-CG2 3.44Å
144E97.1Very high97Very high132 Ų13252.4 Ų52.462%0.61727%0.267SS*.Hα-helixtrans-63.1-43.9177.1-65.369.5-155.100111.3S142 C147 E148S142-E144 PolarHBondContact O-N 2.92Å; E144-C147 WeakPolarHBondContact O-CB 3.46Å; E144-C147 PolarHBondContact O-N 3.04Å; E144-E148 PolarHBondContact O-N 3.24Å
145D97.6Very high96.9Very high76 Ų7655.7 Ų55.741%0.40629%0.285SS..Hα-helixtrans-65.5-39.2177.1-60.9-47.7000112.3L141 S142 C147 E148 R149L141-D145 HydrophobicContact CB-CB 3.97Å; L141-D145 HydrophobicContact CD1-CB 4.38Å; L141-D145 HydrophobicContact CD2-CB 3.87Å; L141-D145 HydrophobicContact CG-CB 4.27Å; S142-D145 WeakPolarHBondContact CB-OD2 3.31Å; S142-D145 PolarHBondContact N-OD2 3.16Å; S142-D145 PolarHBondContact O-N 2.65Å; S142-D145 PolarHBondContact OG-N 3.11Å; S142-D145 VanDerWaalsContact OG-N 3.07Å; S142-D145 PolarHBondContact OG-OD2 3.35Å; D145-C147 VanDerWaalsContact C-N 3.31Å; D145-E148 PolarHBondContact O-N 3.1Å; D145-R149 WeakPolarHBondContact O-CG 3.39Å; D145-R149 PolarHBondContact O-N 3.38Å
146I97.5Very high96.8Very high4 Ų461 Ų612%0.02131%0.31CS..Hα-helixtrans-61.6-43.9174.7-69.1170.9000109.9L141 S142 A143 R149 I150 A185 T186L141-I146 HydrophobicContact CB-CD1 4.47Å; L141-I146 HydrophobicContact CB-CG1 3.88Å; L141-I146 HydrophobicContact CD1-CG1 4.12Å; S142-I146 WeakPolarHBondContact O-CG1 3.45Å; S142-I146 PolarHBondContact O-N 3.18Å; S142-I146 VanDerWaalsContact O-N 3.09Å; A143-I146 PolarHBondContact O-N 3.03Å; I146-R149 PolarHBondContact O-N 3.17Å; I146-I150 HydrophobicContact CG2-CD1 4.09Å; I146-I150 WeakPolarHBondContact O-CG1 3.45Å; I146-I150 PolarHBondContact O-N 3.05Å; I146-I150 VanDerWaalsContact O-N 3.12Å; I146-A185 HydrophobicContact CG2-CB 3.64Å; I146-T186 HydrophobicContact CB-CG2 4.43Å; I146-T186 HydrophobicContact CG2-CG2 4.35Å
147C97.6Very high96.7Very high25 Ų2556.3 Ų56.317%0.16929%0.287CS..Hα-helixtrans-61.5-45.1177.5-69.90000112.1A143 E144 D145 I150 R151 Q182 T186A143-C147 PolarHBondContact O-N 3.17Å; A143-C147 PolarHBondContact O-SG 3.4Å; E144-C147 WeakPolarHBondContact O-CB 3.46Å; E144-C147 PolarHBondContact O-N 3.04Å; D145-C147 VanDerWaalsContact C-N 3.31Å; C147-I150 PolarHBondContact O-N 3.22Å; C147-R151 PolarHBondContact O-N 3.34Å; C147-Q182 HydrophobicContact CB-CB 4.31Å; C147-Q182 HydrophobicContact CB-CG 4.1Å; C147-Q182 PolarHBondContact O-NE2 2.86Å; C147-T186 WeakPolarHBondContact SG-CG2 3.3Å
148E97.8Very high96.4Very high82 Ų8257.9 Ų57.938%0.38329%0.291SS..Hα-helixtrans-60.4-48178.8-164.762.8-12200111.3E144 D145 I150 R151 E152E144-E148 PolarHBondContact O-N 3.24Å; D145-E148 PolarHBondContact O-N 3.1Å; E148-I150 VanDerWaalsContact C-N 3.32Å; E148-I150 PolarHBondContact O-N 2.94Å; E148-R151 CarbonylContact O-C 3.58Å; E148-R151 WeakPolarHBondContact O-CA 3.25Å; E148-R151 WeakPolarHBondContact O-CB 3.44Å; E148-R151 PolarHBondContact O-N 3.45Å; E148-R151 IonicContact OE1-NH1 3.4Å; E148-R151 PolarHBondContact OE1-NH1 2.91Å; E148-R151 IonicContact OE2-CZ 3.58Å; E148-R151 IonicContact OE2-NH1 3Å; E148-R151 PolarHBondContact OE2-NH1 3.38Å; E148-E152 HydrophobicContact CG-CG 4.46Å; E148-E152 WeakPolarHBondContact O-CG 3.36Å; E148-E152 PolarHBondContact O-N 3.2Å
149R97.5Very high96.1Very high78 Ų7862.6 Ų62.629%0.29432%0.316SS..Hα-helixtrans-60.7-40.5178.9-71.7-175.8-178.4-69.8-7.1113L92 D145 I146 R151 E152 T153L92-R149 HydrophobicContact CD2-CB 4.06Å; D145-R149 WeakPolarHBondContact O-CG 3.39Å; D145-R149 PolarHBondContact O-N 3.38Å; I146-R149 PolarHBondContact O-N 3.17Å; R149-R151 VanDerWaalsContact C-N 3.3Å; R149-E152 PolarHBondContact O-N 3.06Å; R149-T153 PolarHBondContact O-N 2.92Å; R149-T153 VanDerWaalsContact O-N 3.11Å; R149-T153 PolarHBondContact O-OG1 2.74Å
150I97.5Very high96Very high0 Ų062.4 Ų62.40%032%0.315CS..Hα-helixtrans-62.2-43174.5-72.5170.7000110L88 L91 L92 I146 C147 E148 W154 E178 F181 Q182 A185L88-I150 HydrophobicContact CD2-CD1 4.39Å; L91-I150 HydrophobicContact CD1-CG2 4.3Å; L92-I150 HydrophobicContact CD2-CD1 4.41Å; L92-I150 HydrophobicContact CD2-CG1 3.79Å; L92-I150 HydrophobicContact CG-CG1 4.17Å; I146-I150 HydrophobicContact CG2-CD1 4.09Å; I146-I150 WeakPolarHBondContact O-CG1 3.45Å; I146-I150 PolarHBondContact O-N 3.05Å; I146-I150 VanDerWaalsContact O-N 3.12Å; C147-I150 PolarHBondContact O-N 3.22Å; E148-I150 VanDerWaalsContact C-N 3.32Å; E148-I150 PolarHBondContact O-N 2.94Å; I150-W154 WeakPolarHBondContact O-CB 3.11Å; I150-W154 PolarHBondContact O-N 2.99Å; I150-E178 HydrophobicContact CG2-CG 4.5Å; I150-F181 HydrophobicContact CG2-CB 4.33Å; I150-Q182 HydrophobicContact CB-CG 4.02Å; I150-Q182 HydrophobicContact CD1-CG 4.46Å; I150-Q182 HydrophobicContact CG2-CG 3.77Å; I150-A185 HydrophobicContact CD1-CB 3.53Å
151R97.4Very high95.8Very high79 Ų7963.1 Ų63.130%0.29832%0.319SS..Hα-helixtrans-63.6-44178.4-174.2177.3-44.9115.37.2112.7C147 E148 R149 W154 N155 E178C147-R151 PolarHBondContact O-N 3.34Å; E148-R151 CarbonylContact O-C 3.58Å; E148-R151 WeakPolarHBondContact O-CA 3.25Å; E148-R151 WeakPolarHBondContact O-CB 3.44Å; E148-R151 PolarHBondContact O-N 3.45Å; E148-R151 IonicContact OE1-NH1 3.4Å; E148-R151 PolarHBondContact OE1-NH1 2.91Å; E148-R151 IonicContact OE2-CZ 3.58Å; E148-R151 IonicContact OE2-NH1 3Å; E148-R151 PolarHBondContact OE2-NH1 3.38Å; R149-R151 VanDerWaalsContact C-N 3.3Å; R151-W154 PolarHBondContact O-N 3.07Å; R151-N155 WeakPolarHBondContact CG-ND2 3.47Å; R151-N155 WeakPolarHBondContact O-CB 3.39Å; R151-N155 PolarHBondContact O-N 3.46Å; R151-N155 PolarHBondContact O-ND2 3.31Å; R151-E178 WeakPolarHBondContact CB-OE1 3.31Å; R151-E178 VanDerWaalsContact CG-OE1 3.23Å; R151-E178 WeakPolarHBondContact CG-OE1 3.41Å; R151-E178 IonicContact NE-OE1 3.47Å; R151-E178 PolarHBondContact NE-OE1 3.37Å
152E97.5Very high95.7Very high103 Ų10362.9 Ų62.948%0.48132%0.32SS..Hα-helixtrans-57.2-56.6176.7-72.4174.1161.100110.3E148 R149 W154 N155 E156E148-E152 HydrophobicContact CG-CG 4.46Å; E148-E152 WeakPolarHBondContact O-CG 3.36Å; E148-E152 PolarHBondContact O-N 3.2Å; R149-E152 PolarHBondContact O-N 3.06Å; E152-W154 VanDerWaalsContact C-N 3.29Å; E152-W154 PolarHBondContact O-N 3.16Å; E152-N155 PolarHBondContact O-N 2.76Å; E152-E156 WeakPolarHBondContact O-CB 3.41Å; E152-E156 PolarHBondContact O-N 3.35Å
153T97Very high95.5Very high19 Ų1962 Ų6212%0.11731%0.311CS..Hα-helixtrans-60.9-39.2178.2-52.50000111.7L91 W94 R149 Y157L91-T153 HydrophobicContact CD2-CG2 4.19Å; L91-T153 VanDerWaalsContact O-CB 3.31Å; L91-T153 WeakPolarHBondContact O-CB 3.49Å; L91-T153 WeakPolarHBondContact O-CG2 3.34Å; L91-T153 PolarHBondContact O-OG1 2.94Å; W94-T153 HydrophobicContact CB-CG2 3.81Å; W94-T153 HydrophobicContact CD2-CG2 4.1Å; W94-T153 HydrophobicContact CE3-CG2 3.98Å; W94-T153 HydrophobicContact CG-CG2 4.04Å; R149-T153 PolarHBondContact O-N 2.92Å; R149-T153 VanDerWaalsContact O-N 3.11Å; R149-T153 PolarHBondContact O-OG1 2.74Å; T153-Y157 HydrophobicContact CG2-CD2 3.68Å; T153-Y157 HydrophobicContact CG2-CE2 4.34Å; T153-Y157 WeakPolarHBondContact O-CB 3.49Å; T153-Y157 WeakPolarHBondContact O-CD2 3.48Å; T153-Y157 PolarHBondContact O-N 2.85Å
154W95.2Very high95.4Very high4 Ų461.1 Ų61.12%0.01530%0.304CS..Hα-helixtrans-63.6-45.9178.6-169.1-86.1000111.9L91 I150 R151 E152 E156 K158 W166 L174 R177 E178 F181L91-W154 HydrophobicContact CD1-CE3 4.32Å; L91-W154 HydrophobicContact CD1-CZ3 4.43Å; L91-W154 HydrophobicContact CD2-CE3 3.95Å; I150-W154 WeakPolarHBondContact O-CB 3.11Å; I150-W154 PolarHBondContact O-N 2.99Å; R151-W154 PolarHBondContact O-N 3.07Å; E152-W154 VanDerWaalsContact C-N 3.29Å; E152-W154 PolarHBondContact O-N 3.16Å; W154-E156 PolarHBondContact O-N 3.25Å; W154-K158 WeakPolarHBondContact O-CB 3.38Å; W154-K158 WeakPolarHBondContact O-CG 3.39Å; W154-K158 PolarHBondContact O-N 3.23Å; W154-W166 HydrophobicContact CD2-CE3 4.28Å; W154-W166 AromaticContact CD2-CZ3 3.84Å; W154-W166 HydrophobicContact CD2-CZ3 3.84Å; W154-W166 HydrophobicContact CE3-CE3 4.02Å; W154-W166 AromaticContact CE3-CZ3 3.58Å; W154-W166 HydrophobicContact CE3-CZ3 3.58Å; W154-W166 HydrophobicContact CG-CZ3 4.39Å; W154-W166 AromaticContact CH2-CE3 3.98Å; W154-W166 HydrophobicContact CH2-CE3 3.98Å; W154-W166 HydrophobicContact CH2-CZ3 4.4Å; W154-W166 HydrophobicContact CZ2-CE3 4.28Å; W154-W166 AromaticContact CZ3-CE3 3.85Å; W154-W166 HydrophobicContact CZ3-CE3 3.85Å; W154-W166 AromaticContact CZ3-CZ3 3.87Å; W154-W166 HydrophobicContact CZ3-CZ3 3.87Å; W154-L174 HydrophobicContact CZ2-CB 4.49Å; W154-L174 HydrophobicContact CZ2-CD2 4.15Å; W154-L174 WeakPolarHBondContact CZ2-O 3.49Å; W154-R177 HydrophobicContact CH2-CB 3.58Å; W154-R177 HydrophobicContact CZ2-CB 3.79Å; W154-E178 HydrophobicContact CB-CG 4.08Å; W154-E178 HydrophobicContact CD2-CB 3.82Å; W154-E178 HydrophobicContact CD2-CG 4.06Å; W154-E178 HydrophobicContact CE3-CB 4.33Å; W154-E178 HydrophobicContact CG-CB 3.99Å; W154-E178 HydrophobicContact CG-CG 3.8Å; W154-E178 HydrophobicContact CZ2-CB 4.35Å; W154-F181 HydrophobicContact CH2-CD2 4.28Å; W154-F181 HydrophobicContact CH2-CE2 4.34Å; W154-F181 AromaticContact CZ3-CD2 3.67Å; W154-F181 HydrophobicContact CZ3-CD2 3.67Å; W154-F181 AromaticContact CZ3-CE2 3.96Å; W154-F181 HydrophobicContact CZ3-CE2 3.96Å
155N95.5Very high95Very high89 Ų8956.2 Ų56.248%0.47628%0.284SS..Hα-helixtrans-67.4-37.1-179.3-78.7-35.3000112.7R151 E152R151-N155 WeakPolarHBondContact CG-ND2 3.47Å; R151-N155 WeakPolarHBondContact O-CB 3.39Å; R151-N155 PolarHBondContact O-N 3.46Å; R151-N155 PolarHBondContact O-ND2 3.31Å; E152-N155 PolarHBondContact O-N 2.76Å
156E96.2Very high94.6Very high126 Ų12653.4 Ų53.459%0.58927%0.268SS*.Hα-helixtrans-76.5-42.4-178.9-168.8175.9164.200112.4E152 W154E152-E156 WeakPolarHBondContact O-CB 3.41Å; E152-E156 PolarHBondContact O-N 3.35Å; W154-E156 PolarHBondContact O-N 3.25Å
157Y95.1Very high93.7Very high39 Ų3960 Ų6015%0.15330%0.299CS..Hα-helixtrans-115.60.7-166.6-57.2-72000115.8W94 Q95 T153 N159 T160 W166W94-Y157 AromaticContact CD1-CD2 3.82Å; W94-Y157 AromaticContact CD1-CE1 3.97Å; W94-Y157 AromaticContact CD1-CE2 3.36Å; W94-Y157 AromaticContact CD1-CZ 3.43Å; W94-Y157 VanDerWaalsContact CD1-CZ 3.43Å; W94-Y157 HydrophobicContact CD2-CD1 4.43Å; W94-Y157 AromaticContact CD2-CD2 3.81Å; W94-Y157 HydrophobicContact CD2-CD2 3.81Å; W94-Y157 HydrophobicContact CD2-CE2 4.17Å; W94-Y157 AromaticContact CD2-CG 3.94Å; W94-Y157 HydrophobicContact CD2-CG 3.94Å; W94-Y157 AromaticContact CE2-CD1 3.47Å; W94-Y157 VanDerWaalsContact CE2-CD1 3.47Å; W94-Y157 AromaticContact CE2-CD2 3.65Å; W94-Y157 AromaticContact CE2-CE1 3.77Å; W94-Y157 AromaticContact CE2-CE2 3.94Å; W94-Y157 AromaticContact CE2-CG 3.39Å; W94-Y157 AromaticContact CE2-CZ 3.99Å; W94-Y157 HydrophobicContact CE3-CD2 4.45Å; W94-Y157 HydrophobicContact CE3-CG 4.45Å; W94-Y157 AromaticContact CG-CD2 3.94Å; W94-Y157 HydrophobicContact CG-CD2 3.94Å; W94-Y157 AromaticContact CG-CE2 3.85Å; W94-Y157 HydrophobicContact CG-CE2 3.85Å; W94-Y157 HydrophobicContact CG-CG 4.49Å; W94-Y157 HydrophobicContact CH2-CD1 4.32Å; W94-Y157 HydrophobicContact CH2-CG 4.04Å; W94-Y157 AromaticContact CZ2-CD1 3.4Å; W94-Y157 HydrophobicContact CZ2-CD1 3.4Å; W94-Y157 VanDerWaalsContact CZ2-CD1 3.4Å; W94-Y157 HydrophobicContact CZ2-CD2 4.19Å; W94-Y157 HydrophobicContact CZ2-CE1 4.08Å; W94-Y157 AromaticContact CZ2-CG 3.46Å; W94-Y157 HydrophobicContact CZ2-CG 3.46Å; W94-Y157 VanDerWaalsContact CZ2-CG 3.46Å; W94-Y157 HydrophobicContact CZ3-CG 4.5Å; W94-Y157 AromaticContact NE1-CD1 3.44Å; W94-Y157 AromaticContact NE1-CD2 3.65Å; W94-Y157 AromaticContact NE1-CE1 3.2Å; W94-Y157 AromaticContact NE1-CE2 3.43Å; W94-Y157 AromaticContact NE1-CG 3.65Å; W94-Y157 AromaticContact NE1-CZ 3.18Å; Q95-Y157 PolarHBondContact NE2-OH 3.1Å; T153-Y157 HydrophobicContact CG2-CD2 3.68Å; T153-Y157 HydrophobicContact CG2-CE2 4.34Å; T153-Y157 WeakPolarHBondContact O-CB 3.49Å; T153-Y157 WeakPolarHBondContact O-CD2 3.48Å; T153-Y157 PolarHBondContact O-N 2.85Å; Y157-N159 PolarHBondContact O-N 2.87Å; Y157-T160 WeakPolarHBondContact O-CB 3.05Å; Y157-T160 PolarHBondContact O-N 3.4Å; Y157-T160 PolarHBondContact O-OG1 3.06Å; Y157-W166 WeakPolarHBondContact O-CZ2 3.49Å
158K92.1Very high92.1Very high96 Ų9661.4 Ų61.442%0.41731%0.306SS..THydrogen-bonded Turntrans-45.7137.1177.857.9-172.8178-167.60112.5W154 T160 W166W154-K158 WeakPolarHBondContact O-CB 3.38Å; W154-K158 WeakPolarHBondContact O-CG 3.39Å; W154-K158 PolarHBondContact O-N 3.23Å; K158-T160 PolarHBondContact O-N 3.26Å; K158-W166 HydrophobicContact CB-CE3 4.33Å; K158-W166 HydrophobicContact CB-CZ3 4.29Å
159N89.7Confident90.6Very high99 Ų9958.4 Ų58.453%0.52929%0.292SS..THydrogen-bonded Turntrans66.38.3-176.7-51.6-33000115.4Y157Y157-N159 PolarHBondContact O-N 2.87Å
160T93Very high88.6Confident62 Ų6262 Ų6238%0.3832%0.317SS..  trans-76.1127.1171.1-57.10000110W94 Y157 K158 S162 W166W94-T160 HydrophobicContact CH2-CG2 4.14Å; W94-T160 HydrophobicContact CZ2-CG2 4.21Å; Y157-T160 WeakPolarHBondContact O-CB 3.05Å; Y157-T160 PolarHBondContact O-N 3.4Å; Y157-T160 PolarHBondContact O-OG1 3.06Å; K158-T160 PolarHBondContact O-N 3.26Å; T160-S162 PolarHBondContact O-N 3.33Å; T160-S162 PolarHBondContact O-OG 3.35Å; T160-W166 PolarHBondContact O-NE1 3.12Å
161V92.1Very high86.8Confident115 Ų11568.4 Ų68.470%0.69736%0.357SS*.SBendtrans-61.4112.7177.3-171.70000109.1S112S112-V161 WeakPolarHBondContact CA-O 3.32Å
162S94.3Very high85.6Confident23 Ų2367 Ų6716%0.16136%0.356CS..SBendtrans-157.7-176.7-169.757.80000110.7Y98 T160 V164Y98-S162 VanDerWaalsContact OH-CA 3.26Å; Y98-S162 WeakPolarHBondContact OH-CA 3.48Å; Y98-S162 WeakPolarHBondContact OH-CB 3.27Å; T160-S162 PolarHBondContact O-N 3.33Å; T160-S162 PolarHBondContact O-OG 3.35Å; S162-V164 PolarHBondContact O-N 2.78Å; S162-V164 PolarHBondContact OG-N 2.76Å
163L92.4Very high84.9Confident27 Ų2765.9 Ų65.914%0.14136%0.357CS..SBendtrans-67.3-11.7167.236123.1000114F89 I97 Y98 I117F89-L163 HydrophobicContact CD1-CD1 4.27Å; I97-L163 HydrophobicContact CD1-CD1 3.62Å; I97-L163 HydrophobicContact CG2-CD2 3.81Å; Y98-L163 HydrophobicContact CE2-CD2 4.01Å; Y98-L163 HydrophobicContact CE2-CG 4.13Å; Y98-L163 WeakPolarHBondContact OH-CD2 3.45Å; Y98-L163 VanDerWaalsContact OH-CG 3.25Å; Y98-L163 WeakPolarHBondContact OH-CG 3.43Å; Y98-L163 PolarHBondContact OH-N 3.28Å; I117-L163 HydrophobicContact CD1-CD2 3.88Å
164V93.8Very high84.2Confident6 Ų668 Ų684%0.03637%0.367CS..SBendtrans-80.6125.6174.7172.80000109.8T87 L91 W94 S162 W166T87-V164 HydrophobicContact CG2-CB 4.47Å; T87-V164 HydrophobicContact CG2-CG1 3.76Å; L91-V164 HydrophobicContact CD2-CG1 4.21Å; L91-V164 HydrophobicContact CD2-CG2 4.31Å; L91-V164 HydrophobicContact CG-CG1 4.33Å; L91-V164 HydrophobicContact CG-CG2 4.12Å; W94-V164 HydrophobicContact CE3-CG2 4.31Å; W94-V164 HydrophobicContact CZ3-CG2 3.97Å; S162-V164 PolarHBondContact O-N 2.78Å; S162-V164 PolarHBondContact OG-N 2.76Å; V164-W166 HydrophobicContact CB-CD2 4.4Å; V164-W166 HydrophobicContact CB-CH2 4.21Å; V164-W166 HydrophobicContact CB-CZ2 3.75Å; V164-W166 HydrophobicContact CG1-CD2 3.57Å; V164-W166 VanDerWaalsContact CG1-CE2 3.49Å; V164-W166 HydrophobicContact CG1-CE3 3.64Å; V164-W166 HydrophobicContact CG1-CG 4.32Å; V164-W166 HydrophobicContact CG1-CH2 3.62Å; V164-W166 HydrophobicContact CG1-CZ2 3.53Å; V164-W166 HydrophobicContact CG1-CZ3 3.67Å; V164-W166 HydrophobicContact CG2-CZ2 4.34Å; V164-W166 PolarHBondContact O-N 3.28Å
165S88.7Confident83.8Confident29 Ų2973.1 Ų73.120%0.20339%0.394CS..  trans-89.1102.3171.6-167.30000111.8T87 E167 T168T87-S165 PolarHBondContact OG1-N 3.11Å; S165-E167 VanDerWaalsContact C-N 3.34Å; S165-T168 WeakPolarHBondContact CB-OG1 3.41Å; S165-T168 WeakPolarHBondContact OG-CB 3.31Å; S165-T168 PolarHBondContact OG-OG1 3.48Å
166W88.4Confident83.4Confident16 Ų1673.5 Ų73.56%0.06139%0.393CS..SBendtrans-74.8-23.6178.6-51.1106.7000113.3L91 W94 W154 Y157 K158 T160 V164 R177L91-W166 HydrophobicContact CD2-CH2 4Å; L91-W166 HydrophobicContact CD2-CZ3 4.03Å; W94-W166 HydrophobicContact CH2-CZ2 4.41Å; W94-W166 HydrophobicContact CZ3-CZ2 4.11Å; W154-W166 HydrophobicContact CD2-CE3 4.28Å; W154-W166 AromaticContact CD2-CZ3 3.84Å; W154-W166 HydrophobicContact CD2-CZ3 3.84Å; W154-W166 HydrophobicContact CE3-CE3 4.02Å; W154-W166 AromaticContact CE3-CZ3 3.58Å; W154-W166 HydrophobicContact CE3-CZ3 3.58Å; W154-W166 HydrophobicContact CG-CZ3 4.39Å; W154-W166 AromaticContact CH2-CE3 3.98Å; W154-W166 HydrophobicContact CH2-CE3 3.98Å; W154-W166 HydrophobicContact CH2-CZ3 4.4Å; W154-W166 HydrophobicContact CZ2-CE3 4.28Å; W154-W166 AromaticContact CZ3-CE3 3.85Å; W154-W166 HydrophobicContact CZ3-CE3 3.85Å; W154-W166 AromaticContact CZ3-CZ3 3.87Å; W154-W166 HydrophobicContact CZ3-CZ3 3.87Å; Y157-W166 WeakPolarHBondContact O-CZ2 3.49Å; K158-W166 HydrophobicContact CB-CE3 4.33Å; K158-W166 HydrophobicContact CB-CZ3 4.29Å; T160-W166 PolarHBondContact O-NE1 3.12Å; V164-W166 HydrophobicContact CB-CD2 4.4Å; V164-W166 HydrophobicContact CB-CH2 4.21Å; V164-W166 HydrophobicContact CB-CZ2 3.75Å; V164-W166 HydrophobicContact CG1-CD2 3.57Å; V164-W166 VanDerWaalsContact CG1-CE2 3.49Å; V164-W166 HydrophobicContact CG1-CE3 3.64Å; V164-W166 HydrophobicContact CG1-CG 4.32Å; V164-W166 HydrophobicContact CG1-CH2 3.62Å; V164-W166 HydrophobicContact CG1-CZ2 3.53Å; V164-W166 HydrophobicContact CG1-CZ3 3.67Å; V164-W166 HydrophobicContact CG2-CZ2 4.34Å; V164-W166 PolarHBondContact O-N 3.28Å; W166-R177 WeakPolarHBondContact O-CD 3.46Å; W166-R177 PolarHBondContact O-NH1 2.91Å
167E78.4Confident82.9Confident143 Ų14369.1 Ų69.167%0.66837%0.371SS*.SBendtrans-112.8-10.1-166.3-68.3-174.4177.300115.9S165 F169S165-E167 VanDerWaalsContact C-N 3.34Å; E167-F169 PolarHBondContact O-N 3.15Å
168T65.4Low82.8Confident54 Ų5468 Ų6833%0.33137%0.367SS..  trans-61.3-1.5-170.6-650000116I83 S165I83-T168 HydrophobicContact CD1-CG2 4.03Å; I83-T168 HydrophobicContact CG2-CG2 4.23Å; S165-T168 WeakPolarHBondContact CB-OG1 3.41Å; S165-T168 WeakPolarHBondContact OG-CB 3.31Å; S165-T168 PolarHBondContact OG-OG1 3.48Å
169F64.8Low82.8Confident19 Ų1967.5 Ų67.58%0.08337%0.368CS..  trans-115.289.4-176.3-48.2-58.9000110.4M78 T80 E167 T171 R177 F181M78-F169 HydrophobicContact CE-CD1 3.79Å; M78-F169 HydrophobicContact CE-CE1 3.02Å; M78-F169 HydrophobicContact CE-CE2 4.47Å; M78-F169 HydrophobicContact CE-CZ 3.41Å; M78-F169 VanDerWaalsContact CE-CZ 3.41Å; M78-F169 HydrophobicContact CG-CE1 4.44Å; M78-F169 HydrophobicContact SD-CD1 3.44Å; M78-F169 WeakPolarHBondContact SD-CD1 3.33Å; M78-F169 HydrophobicContact SD-CE1 3.3Å; M78-F169 WeakPolarHBondContact SD-CE1 3.37Å; M78-F169 HydrophobicContact SD-CZ 4.23Å; T80-F169 HydrophobicContact CG2-CE1 4.38Å; E167-F169 PolarHBondContact O-N 3.15Å; F169-T171 PolarHBondContact O-N 2.87Å; F169-R177 HydrophobicContact CB-CG 4.21Å; F169-R177 HydrophobicContact CD2-CG 4.04Å; F169-R177 PolarHBondContact O-NE 3.37Å; F169-R177 PolarHBondContact O-NH2 3.22Å; F169-F181 HydrophobicContact CD2-CE2 4.42Å; F169-F181 HydrophobicContact CE2-CE1 4.47Å; F169-F181 AromaticContact CE2-CE2 3.6Å; F169-F181 HydrophobicContact CE2-CE2 3.6Å; F169-F181 AromaticContact CE2-CZ 3.39Å; F169-F181 HydrophobicContact CE2-CZ 3.39Å; F169-F181 HydrophobicContact CZ-CE1 4.49Å; F169-F181 HydrophobicContact CZ-CE2 4.38Å; F169-F181 AromaticContact CZ-CZ 3.74Å; F169-F181 HydrophobicContact CZ-CZ 3.74Å
170D57.1Low82.9Confident154 Ų15464.6 Ų64.682%0.82435%0.351SS*.THydrogen-bonded Turntrans-59.8-2-168.6-73.2-22.9000116.1
171T59.7Low82.9Confident135 Ų13561.6 Ų61.683%0.82833%0.332SS*.THydrogen-bonded Turntrans-136.67.9-169.555.90000115.8F169F169-T171 PolarHBondContact O-N 2.87Å
172T70.9Confident83Confident48 Ų4857 Ų5729%0.29430%0.303SS..  trans-125.7145.2-175.552.40000112.9E176 R177T172-E176 WeakPolarHBondContact CA-OE2 3.14Å; T172-E176 HydrophobicContact CG2-CB 4.26Å; T172-R177 PolarHBondContact O-NE 2.77Å; T172-R177 VanDerWaalsContact O-NE 3.13Å; T172-R177 PolarHBondContact O-NH2 2.97Å; T172-R177 WeakPolarHBondContact OG1-CG 3.18Å
173T82.3Confident83Confident81 Ų8157.7 Ų57.750%0.49730%0.304SS..  trans-61.5157.417063.20000110.8I175 E176 R177T173-I175 PolarHBondContact O-N 2.94Å; T173-E176 WeakPolarHBondContact CB-OE2 3.39Å; T173-E176 WeakPolarHBondContact CG2-OE2 3.38Å; T173-E176 PolarHBondContact N-OE2 3.45Å; T173-E176 PolarHBondContact O-N 2.87Å; T173-E176 VanDerWaalsContact O-N 3.08Å; T173-E176 WeakPolarHBondContact OG1-CB 3.4Å; T173-E176 VanDerWaalsContact OG1-CD 3.27Å; T173-E176 VanDerWaalsContact OG1-CG 3.23Å; T173-E176 WeakPolarHBondContact OG1-CG 3.3Å; T173-E176 PolarHBondContact OG1-N 3.48Å; T173-E176 PolarHBondContact OG1-OE2 2.91Å; T173-R177 WeakPolarHBondContact O-CG 3.22Å; T173-R177 PolarHBondContact O-N 3.37Å
174L83.2Confident83Confident62 Ų6256.5 Ų56.533%0.32530%0.298SS..Hα-helixtrans-55.9-34.7177-73.7173.8000112.7W154 R177 E178W154-L174 HydrophobicContact CZ2-CB 4.49Å; W154-L174 HydrophobicContact CZ2-CD2 4.15Å; W154-L174 WeakPolarHBondContact CZ2-O 3.49Å; L174-R177 PolarHBondContact O-N 3.38Å; L174-E178 PolarHBondContact O-N 3.31Å
175I86.3Confident83.1Confident112 Ų11256.2 Ų56.257%0.57430%0.296SS*.Hα-helixtrans-68.4-43.4178-62.9169.4000110.5T173 R177 E178 I179T173-I175 PolarHBondContact O-N 2.94Å; I175-R177 VanDerWaalsContact C-N 3.26Å; I175-R177 PolarHBondContact O-N 3.42Å; I175-E178 WeakPolarHBondContact O-CB 3.37Å; I175-E178 PolarHBondContact O-N 3.16Å; I175-I179 HydrophobicContact CG2-CD1 3.92Å; I175-I179 WeakPolarHBondContact O-CG1 3.31Å; I175-I179 PolarHBondContact O-N 2.79Å
176E86.6Confident83.4Confident97 Ų9756.4 Ų56.445%0.45330%0.296SS..Hα-helixtrans-64.4-33176.2-73.1165146.200112T172 T173 F180T172-E176 WeakPolarHBondContact CA-OE2 3.14Å; T172-E176 HydrophobicContact CG2-CB 4.26Å; T173-E176 WeakPolarHBondContact CB-OE2 3.39Å; T173-E176 WeakPolarHBondContact CG2-OE2 3.38Å; T173-E176 PolarHBondContact N-OE2 3.45Å; T173-E176 PolarHBondContact O-N 2.87Å; T173-E176 VanDerWaalsContact O-N 3.08Å; T173-E176 WeakPolarHBondContact OG1-CB 3.4Å; T173-E176 VanDerWaalsContact OG1-CD 3.27Å; T173-E176 VanDerWaalsContact OG1-CG 3.23Å; T173-E176 WeakPolarHBondContact OG1-CG 3.3Å; T173-E176 PolarHBondContact OG1-N 3.48Å; T173-E176 PolarHBondContact OG1-OE2 2.91Å; E176-F180 WeakPolarHBondContact O-CB 3.41Å; E176-F180 PolarHBondContact O-N 3.49Å
177R87.6Confident83.6Confident34 Ų3456.1 Ų56.113%0.12830%0.296CS..Hα-helixtrans-68.7-40.2173.8-64.4174.8-173.7168.81112.3W154 W166 F169 T172 T173 L174 I175 F180 F181W154-R177 HydrophobicContact CH2-CB 3.58Å; W154-R177 HydrophobicContact CZ2-CB 3.79Å; W166-R177 WeakPolarHBondContact O-CD 3.46Å; W166-R177 PolarHBondContact O-NH1 2.91Å; F169-R177 HydrophobicContact CB-CG 4.21Å; F169-R177 HydrophobicContact CD2-CG 4.04Å; F169-R177 PolarHBondContact O-NE 3.37Å; F169-R177 PolarHBondContact O-NH2 3.22Å; T172-R177 PolarHBondContact O-NE 2.77Å; T172-R177 VanDerWaalsContact O-NE 3.13Å; T172-R177 PolarHBondContact O-NH2 2.97Å; T172-R177 WeakPolarHBondContact OG1-CG 3.18Å; T173-R177 WeakPolarHBondContact O-CG 3.22Å; T173-R177 PolarHBondContact O-N 3.37Å; L174-R177 PolarHBondContact O-N 3.38Å; I175-R177 VanDerWaalsContact C-N 3.26Å; I175-R177 PolarHBondContact O-N 3.42Å; R177-F180 VanDerWaalsContact O-CB 3.32Å; R177-F180 WeakPolarHBondContact O-CB 2.8Å; R177-F180 PolarHBondContact O-N 2.84Å; R177-F181 WeakPolarHBondContact O-CD2 3.31Å; R177-F181 PolarHBondContact O-N 3.43Å; R177-F181 VanDerWaalsContact O-N 3.13Å
178E91.8Very high84.2Confident17 Ų1749.9 Ų49.98%0.07927%0.267CS..Hα-helixtrans-59.4-53.9173-176.1-157.1136.500110.5I150 R151 W154 L174 I175 F180 F181 Q182I150-E178 HydrophobicContact CG2-CG 4.5Å; R151-E178 WeakPolarHBondContact CB-OE1 3.31Å; R151-E178 VanDerWaalsContact CG-OE1 3.23Å; R151-E178 WeakPolarHBondContact CG-OE1 3.41Å; R151-E178 IonicContact NE-OE1 3.47Å; R151-E178 PolarHBondContact NE-OE1 3.37Å; W154-E178 HydrophobicContact CB-CG 4.08Å; W154-E178 HydrophobicContact CD2-CB 3.82Å; W154-E178 HydrophobicContact CD2-CG 4.06Å; W154-E178 HydrophobicContact CE3-CB 4.33Å; W154-E178 HydrophobicContact CG-CB 3.99Å; W154-E178 HydrophobicContact CG-CG 3.8Å; W154-E178 HydrophobicContact CZ2-CB 4.35Å; L174-E178 PolarHBondContact O-N 3.31Å; I175-E178 WeakPolarHBondContact O-CB 3.37Å; I175-E178 PolarHBondContact O-N 3.16Å; E178-F180 PolarHBondContact O-N 2.9Å; E178-F181 PolarHBondContact O-N 2.97Å; E178-Q182 WeakPolarHBondContact O-CG 3.35Å; E178-Q182 PolarHBondContact O-N 2.8Å; E178-Q182 PolarHBondContact OE1-NE2 2.94Å
179I92.1Very high85.6Confident84 Ų8448.4 Ų48.443%0.43126%0.263SS..Hα-helixtrans-58.6-37179-66.8169000110.7I175 Q182 E183I175-I179 HydrophobicContact CG2-CD1 3.92Å; I175-I179 WeakPolarHBondContact O-CG1 3.31Å; I175-I179 PolarHBondContact O-N 2.79Å; I179-Q182 WeakPolarHBondContact O-CB 3.28Å; I179-Q182 PolarHBondContact O-N 3.29Å; I179-E183 WeakPolarHBondContact O-CB 3.31Å; I179-E183 PolarHBondContact O-N 2.83Å
180F91Very high87Confident38 Ų3847.9 Ų47.917%0.16726%0.263CS..Hα-helixtrans-56.9-51.2174172.5-80000111.9M78 I84 E176 R177 E178 Q182 E183 V184 W217M78-F180 HydrophobicContact CB-CZ 4.39Å; M78-F180 HydrophobicContact CE-CD1 4.2Å; M78-F180 HydrophobicContact CE-CE1 3.2Å; M78-F180 HydrophobicContact CE-CE2 3.77Å; M78-F180 HydrophobicContact CE-CZ 2.95Å; M78-F180 HydrophobicContact SD-CE1 4.17Å; M78-F180 HydrophobicContact SD-CE2 3.63Å; M78-F180 HydrophobicContact SD-CZ 3.47Å; M78-F180 WeakPolarHBondContact SD-CZ 3.46Å; I84-F180 HydrophobicContact CD1-CE1 4.14Å; I84-F180 HydrophobicContact CD1-CZ 4.26Å; E176-F180 WeakPolarHBondContact O-CB 3.41Å; E176-F180 PolarHBondContact O-N 3.49Å; R177-F180 VanDerWaalsContact O-CB 3.32Å; R177-F180 WeakPolarHBondContact O-CB 2.8Å; R177-F180 PolarHBondContact O-N 2.84Å; E178-F180 PolarHBondContact O-N 2.9Å; F180-Q182 VanDerWaalsContact C-N 3.33Å; F180-Q182 PolarHBondContact O-N 3.19Å; F180-E183 PolarHBondContact O-N 2.82Å; F180-V184 HydrophobicContact CD1-CG2 4.31Å; F180-V184 HydrophobicContact CE1-CB 4.46Å; F180-V184 HydrophobicContact CE1-CG2 3.61Å; F180-V184 HydrophobicContact CE2-CG2 4.29Å; F180-V184 HydrophobicContact CZ-CG2 3.56Å; F180-V184 WeakPolarHBondContact O-CG2 3.34Å; F180-V184 PolarHBondContact O-N 2.9Å; F180-W217 HydrophobicContact CD2-CH2 4.41Å; F180-W217 HydrophobicContact CD2-CZ2 4.31Å; F180-W217 AromaticContact CE2-CH2 3.33Å; F180-W217 HydrophobicContact CE2-CH2 3.33Å; F180-W217 AromaticContact CE2-CZ2 3.61Å; F180-W217 HydrophobicContact CE2-CZ2 3.61Å; F180-W217 HydrophobicContact CE2-CZ3 4.48Å; F180-W217 AromaticContact CZ-CH2 3.5Å; F180-W217 HydrophobicContact CZ-CH2 3.5Å; F180-W217 AromaticContact CZ-CZ2 3.99Å; F180-W217 HydrophobicContact CZ-CZ2 3.99Å; F180-W217 HydrophobicContact CZ-CZ3 4.3Å
181F93.7Very high88.8Confident0 Ų044.2 Ų44.20%024%0.243CC..Hα-helixtrans-68.6-33.9-179.1-76.3-65.9000112.2I84 T87 L88 L91 I150 W154 F169 R177 E178 A185I84-F181 HydrophobicContact CG1-CE1 4.19Å; T87-F181 HydrophobicContact CG2-CD1 4.01Å; T87-F181 HydrophobicContact CG2-CD2 4.24Å; T87-F181 HydrophobicContact CG2-CE1 3.4Å; T87-F181 HydrophobicContact CG2-CE2 3.65Å; T87-F181 HydrophobicContact CG2-CG 4.4Å; T87-F181 HydrophobicContact CG2-CZ 3.18Å; L88-F181 HydrophobicContact CD2-CB 4.14Å; L88-F181 HydrophobicContact CD2-CD1 3.8Å; L88-F181 HydrophobicContact CD2-CG 4.41Å; L88-F181 HydrophobicContact CG-CD1 4.17Å; L91-F181 HydrophobicContact CD1-CB 4.01Å; L91-F181 HydrophobicContact CD1-CD1 4.41Å; L91-F181 HydrophobicContact CD1-CD2 4.08Å; L91-F181 HydrophobicContact CD1-CG 3.92Å; I150-F181 HydrophobicContact CG2-CB 4.33Å; W154-F181 HydrophobicContact CH2-CD2 4.28Å; W154-F181 HydrophobicContact CH2-CE2 4.34Å; W154-F181 AromaticContact CZ3-CD2 3.67Å; W154-F181 HydrophobicContact CZ3-CD2 3.67Å; W154-F181 AromaticContact CZ3-CE2 3.96Å; W154-F181 HydrophobicContact CZ3-CE2 3.96Å; F169-F181 HydrophobicContact CD2-CE2 4.42Å; F169-F181 HydrophobicContact CE2-CE1 4.47Å; F169-F181 AromaticContact CE2-CE2 3.6Å; F169-F181 HydrophobicContact CE2-CE2 3.6Å; F169-F181 AromaticContact CE2-CZ 3.39Å; F169-F181 HydrophobicContact CE2-CZ 3.39Å; F169-F181 HydrophobicContact CZ-CE1 4.49Å; F169-F181 HydrophobicContact CZ-CE2 4.38Å; F169-F181 AromaticContact CZ-CZ 3.74Å; F169-F181 HydrophobicContact CZ-CZ 3.74Å; R177-F181 WeakPolarHBondContact O-CD2 3.31Å; R177-F181 PolarHBondContact O-N 3.43Å; R177-F181 VanDerWaalsContact O-N 3.13Å; E178-F181 PolarHBondContact O-N 2.97Å; F181-A185 WeakPolarHBondContact O-CB 3.15Å; F181-A185 PolarHBondContact O-N 3.25Å
182Q95.3Very high90.4Very high17 Ų1738.2 Ų38.28%0.07921%0.206CC..Hα-helixtrans-58.6-50.2170.7-69.7175.3-3.700111.4C147 I150 E178 I179 F180 V184 A185 T186C147-Q182 HydrophobicContact CB-CB 4.31Å; C147-Q182 HydrophobicContact CB-CG 4.1Å; C147-Q182 PolarHBondContact O-NE2 2.86Å; I150-Q182 HydrophobicContact CB-CG 4.02Å; I150-Q182 HydrophobicContact CD1-CG 4.46Å; I150-Q182 HydrophobicContact CG2-CG 3.77Å; E178-Q182 WeakPolarHBondContact O-CG 3.35Å; E178-Q182 PolarHBondContact O-N 2.8Å; E178-Q182 PolarHBondContact OE1-NE2 2.94Å; I179-Q182 WeakPolarHBondContact O-CB 3.28Å; I179-Q182 PolarHBondContact O-N 3.29Å; F180-Q182 VanDerWaalsContact C-N 3.33Å; F180-Q182 PolarHBondContact O-N 3.19Å; Q182-V184 PolarHBondContact O-N 3.34Å; Q182-A185 PolarHBondContact O-N 3.49Å; Q182-T186 WeakPolarHBondContact O-CB 3.27Å; Q182-T186 VanDerWaalsContact O-CG2 3.25Å; Q182-T186 WeakPolarHBondContact O-CG2 3.25Å; Q182-T186 PolarHBondContact O-N 2.88Å; Q182-T186 PolarHBondContact O-OG1 2.78Å
183E93.5Very high91.6Very high39 Ų3936 Ų3618%0.18219%0.192CC..Hα-helixtrans-62.8-45.4179.3-171.2-176.989.100111.8K76 I179 F180 T186 V187 W217 A219K76-E183 WeakPolarHBondContact CD-OE1 3.43Å; K76-E183 WeakPolarHBondContact CE-OE1 3.49Å; K76-E183 IonicContact NZ-OE1 3.05Å; K76-E183 PolarHBondContact NZ-OE1 3.03Å; K76-E183 IonicContact NZ-OE2 3.61Å; K76-E183 PolarHBondContact NZ-OE2 3.22Å; I179-E183 WeakPolarHBondContact O-CB 3.31Å; I179-E183 PolarHBondContact O-N 2.83Å; F180-E183 PolarHBondContact O-N 2.82Å; E183-T186 WeakPolarHBondContact CA-OG1 3.41Å; E183-T186 PolarHBondContact O-N 3.46Å; E183-T186 PolarHBondContact O-OG1 2.64Å; E183-V187 VanDerWaalsContact O-CG2 3.26Å; E183-V187 WeakPolarHBondContact O-CG2 3.46Å; E183-V187 PolarHBondContact O-N 3.14Å; E183-W217 PolarHBondContact OE1-NE1 3.24Å; E183-A219 HydrophobicContact CG-CB 3.74Å
184V93Very high92.3Very high1 Ų132.4 Ų32.41%0.00617%0.171CC..Hα-helixtrans-63-47.6178.1168.80000111.2I84 L88 F180 Q182 T186 V187 I188 L215 W217I84-V184 HydrophobicContact CD1-CG1 3.9Å; I84-V184 HydrophobicContact CD1-CG2 4.32Å; I84-V184 HydrophobicContact CG1-CG1 4.33Å; L88-V184 HydrophobicContact CD1-CG1 3.96Å; F180-V184 HydrophobicContact CD1-CG2 4.31Å; F180-V184 HydrophobicContact CE1-CB 4.46Å; F180-V184 HydrophobicContact CE1-CG2 3.61Å; F180-V184 HydrophobicContact CE2-CG2 4.29Å; F180-V184 HydrophobicContact CZ-CG2 3.56Å; F180-V184 WeakPolarHBondContact O-CG2 3.34Å; F180-V184 PolarHBondContact O-N 2.9Å; Q182-V184 PolarHBondContact O-N 3.34Å; V184-T186 VanDerWaalsContact C-N 3.33Å; V184-T186 PolarHBondContact O-N 2.81Å; V184-V187 PolarHBondContact O-N 3.35Å; V184-I188 HydrophobicContact CG1-CD1 3.49Å; V184-I188 VanDerWaalsContact CG1-CD1 3.49Å; V184-I188 HydrophobicContact CG1-CG1 4.31Å; V184-I188 VanDerWaalsContact O-CG1 3.27Å; V184-I188 WeakPolarHBondContact O-CG1 3.44Å; V184-I188 PolarHBondContact O-N 3.22Å; V184-L215 HydrophobicContact CG1-CD2 3.45Å; V184-L215 VanDerWaalsContact CG1-CD2 3.45Å; V184-L215 HydrophobicContact CG2-CD2 4.32Å; V184-W217 HydrophobicContact CG2-CD2 4.23Å; V184-W217 HydrophobicContact CG2-CE3 4.37Å; V184-W217 HydrophobicContact CG2-CH2 3.96Å; V184-W217 HydrophobicContact CG2-CZ2 3.73Å; V184-W217 HydrophobicContact CG2-CZ3 4.24Å
185A95.6Very high92.9Very high0 Ų032.9 Ų32.90%017%0.17CC..Hα-helixtrans-62-41.6-178.600000112.1L88 I146 I150 F181 Q182 I188 G189 L193L88-A185 HydrophobicContact CD2-CB 3.93Å; I146-A185 HydrophobicContact CG2-CB 3.64Å; I150-A185 HydrophobicContact CD1-CB 3.53Å; F181-A185 WeakPolarHBondContact O-CB 3.15Å; F181-A185 PolarHBondContact O-N 3.25Å; Q182-A185 PolarHBondContact O-N 3.49Å; A185-I188 PolarHBondContact O-N 2.87Å; A185-G189 PolarHBondContact O-N 3.24Å; A185-L193 HydrophobicContact CB-CD1 4.01Å
186T94.7Very high93.4Very high33 Ų3327.5 Ų27.520%0.20214%0.143CC..Hα-helixtrans-68.5-33.8178.452.80000113A143 I146 C147 Q182 E183 V184A143-T186 HydrophobicContact CB-CG2 3.74Å; A143-T186 WeakPolarHBondContact O-CG2 3.44Å; I146-T186 HydrophobicContact CB-CG2 4.43Å; I146-T186 HydrophobicContact CG2-CG2 4.35Å; C147-T186 WeakPolarHBondContact SG-CG2 3.3Å; Q182-T186 WeakPolarHBondContact O-CB 3.27Å; Q182-T186 VanDerWaalsContact O-CG2 3.25Å; Q182-T186 WeakPolarHBondContact O-CG2 3.25Å; Q182-T186 PolarHBondContact O-N 2.88Å; Q182-T186 PolarHBondContact O-OG1 2.78Å; E183-T186 WeakPolarHBondContact CA-OG1 3.41Å; E183-T186 PolarHBondContact O-N 3.46Å; E183-T186 PolarHBondContact O-OG1 2.64Å; V184-T186 VanDerWaalsContact C-N 3.33Å; V184-T186 PolarHBondContact O-N 2.81Å
187V92Very high93.9Very high10 Ų1022.9 Ų22.96%0.06112%0.121CC..Hα-helixtrans-73.3-35.3174.9175.90000112.2E183 V184 W217 A219 F224E183-V187 VanDerWaalsContact O-CG2 3.26Å; E183-V187 WeakPolarHBondContact O-CG2 3.46Å; E183-V187 PolarHBondContact O-N 3.14Å; V184-V187 PolarHBondContact O-N 3.35Å; V187-W217 HydrophobicContact CG1-CB 3.96Å; V187-A219 HydrophobicContact CG2-CB 4.16Å; V187-F224 HydrophobicContact CG1-CB 3.93Å; V187-F224 HydrophobicContact CG1-CD1 3.94Å; V187-F224 HydrophobicContact CG1-CG 4.36Å; V187-F224 WeakPolarHBondContact O-CD1 3.33Å
188I92.3Very high94.4Very high12 Ų1225.9 Ų25.96%0.06213%0.133CC..Hα-helixtrans-69.4-41.8175.4-66.8167000110.8W85 L88 V184 A185 L192 L193 L215 F224W85-I188 HydrophobicContact CH2-CD1 3.97Å; W85-I188 HydrophobicContact CZ3-CD1 3.66Å; L88-I188 HydrophobicContact CD1-CD1 4.03Å; V184-I188 HydrophobicContact CG1-CD1 3.49Å; V184-I188 VanDerWaalsContact CG1-CD1 3.49Å; V184-I188 HydrophobicContact CG1-CG1 4.31Å; V184-I188 VanDerWaalsContact O-CG1 3.27Å; V184-I188 WeakPolarHBondContact O-CG1 3.44Å; V184-I188 PolarHBondContact O-N 3.22Å; A185-I188 PolarHBondContact O-N 2.87Å; I188-L192 HydrophobicContact CG2-CB 4.17Å; I188-L192 HydrophobicContact CG2-CD2 3.99Å; I188-L192 HydrophobicContact CG2-CG 4.3Å; I188-L193 HydrophobicContact CB-CD2 4.28Å; I188-L193 HydrophobicContact CB-CG 4.29Å; I188-L193 HydrophobicContact CD1-CD2 4.3Å; I188-L193 HydrophobicContact CG2-CD2 3.73Å; I188-L193 HydrophobicContact CG2-CG 3.73Å; I188-L215 HydrophobicContact CD1-CD2 4.17Å; I188-F224 HydrophobicContact CB-CE1 4.37Å; I188-F224 HydrophobicContact CB-CZ 4.36Å; I188-F224 HydrophobicContact CG1-CD1 4.45Å; I188-F224 HydrophobicContact CG1-CD2 4.43Å; I188-F224 HydrophobicContact CG1-CE1 4.32Å; I188-F224 HydrophobicContact CG1-CE2 4.26Å; I188-F224 HydrophobicContact CG1-CG 4.5Å; I188-F224 HydrophobicContact CG1-CZ 4.18Å; I188-F224 HydrophobicContact CG2-CZ 4.18Å
189G93.1Very high94.6Very high23 Ų2326.5 Ų26.524%0.23714%0.135CC..  trans86.5145.8-179.900000113.5A185 D191 L192 L193A185-G189 PolarHBondContact O-N 3.24Å; G189-D191 PolarHBondContact O-N 3.05Å; G189-L192 PolarHBondContact O-N 3.35Å; G189-L193 WeakPolarHBondContact O-CG 3.24Å; G189-L193 PolarHBondContact O-N 2.94Å; G189-L193 VanDerWaalsContact O-N 3.1Å
190G95.5Very high94.9Very high8 Ų822.5 Ų22.58%0.08211%0.114CC..Hα-helixtrans-60-37.3-173.900000114.7L138 L193 A194L138-G190 VanDerWaalsContact O-CA 3.3Å; L138-G190 WeakPolarHBondContact O-CA 3.36Å; G190-L193 PolarHBondContact O-N 3.14Å; G190-A194 VanDerWaalsContact O-CB 3.32Å; G190-A194 WeakPolarHBondContact O-CB 3.42Å; G190-A194 PolarHBondContact O-N 3.02Å
191D93.9Very high95.2Very high77 Ų7720.8 Ų20.841%0.41211%0.107SC..Hα-helixtrans-62-46178.3170.471.8000112.8T139 G189 K195T139-D191 HydrophobicContact CG2-CB 4.49Å; G189-D191 PolarHBondContact O-N 3.05Å; D191-K195 WeakPolarHBondContact O-CG 3.22Å; D191-K195 PolarHBondContact O-N 3.44Å; D191-K195 VanDerWaalsContact OD1-CE 3.29Å; D191-K195 WeakPolarHBondContact OD1-CE 3.09Å; D191-K195 IonicContact OD1-NZ 3.4Å; D191-K195 PolarHBondContact OD1-NZ 2.8Å; D191-K195 IonicContact OD2-NZ 3.54Å; D191-K195 PolarHBondContact OD2-NZ 3Å
192L93.7Very high95.4Very high10 Ų1025.1 Ų25.15%0.05213%0.126CC..Hα-helixtrans-72.3-38.8178-175.665.3000111.6I188 G189 A194 K195 I196 F224 R250 L251I188-L192 HydrophobicContact CG2-CB 4.17Å; I188-L192 HydrophobicContact CG2-CD2 3.99Å; I188-L192 HydrophobicContact CG2-CG 4.3Å; G189-L192 PolarHBondContact O-N 3.35Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 3.5Å; L192-K195 PolarHBondContact O-N 3.29Å; L192-I196 HydrophobicContact CD1-CD1 4.43Å; L192-I196 HydrophobicContact CD1-CG1 4.44Å; L192-I196 HydrophobicContact CD2-CD1 4.3Å; L192-I196 HydrophobicContact CG-CD1 3.9Å; L192-I196 HydrophobicContact CG-CG1 4.33Å; L192-I196 WeakPolarHBondContact O-CG1 3.45Å; L192-I196 PolarHBondContact O-N 3.03Å; L192-F224 HydrophobicContact CD2-CE2 4.3Å; L192-F224 HydrophobicContact CD2-CZ 3.6Å; L192-R250 HydrophobicContact CD1-CB 3.81Å; L192-L251 HydrophobicContact CD2-CD2 3.35Å; L192-L251 HydrophobicContact CD2-CG 4.06Å
193L96.6Very high95.5Very high0 Ų025.8 Ų25.80%013%0.13CC..Hα-helixtrans-57-46.7174.1-71.7172000110.8L88 L92 A185 I188 G189 G190 K195 I196 F197L88-L193 HydrophobicContact CD1-CD2 4.06Å; L92-L193 HydrophobicContact CD1-CD1 3.91Å; A185-L193 HydrophobicContact CB-CD1 4.01Å; I188-L193 HydrophobicContact CB-CD2 4.28Å; I188-L193 HydrophobicContact CB-CG 4.29Å; I188-L193 HydrophobicContact CD1-CD2 4.3Å; I188-L193 HydrophobicContact CG2-CD2 3.73Å; I188-L193 HydrophobicContact CG2-CG 3.73Å; G189-L193 WeakPolarHBondContact O-CG 3.24Å; G189-L193 PolarHBondContact O-N 2.94Å; G189-L193 VanDerWaalsContact O-N 3.1Å; G190-L193 PolarHBondContact O-N 3.14Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 3.37Å; L193-I196 PolarHBondContact O-N 2.8Å; L193-F197 HydrophobicContact CB-CD2 4.41Å; L193-F197 HydrophobicContact CB-CE2 3.93Å; L193-F197 HydrophobicContact CB-CZ 4.02Å; L193-F197 HydrophobicContact CD2-CE1 4.15Å; L193-F197 HydrophobicContact CD2-CZ 3.86Å; L193-F197 HydrophobicContact CG-CZ 4.41Å; L193-F197 WeakPolarHBondContact O-CB 3.47Å; L193-F197 WeakPolarHBondContact O-CD1 3.42Å; L193-F197 WeakPolarHBondContact O-CD2 2.86Å; L193-F197 WeakPolarHBondContact O-CG 3.33Å; L193-F197 PolarHBondContact O-N 3.16Å
194A97.2Very high95.7Very high7 Ų724.1 Ų24.16%0.05812%0.122CC..Hα-helixtrans-56.4-43.5176.200000112.4F135 L138 T139 G190 L192 F197 Y198F135-A194 HydrophobicContact CB-CB 4.01Å; L138-A194 HydrophobicContact CB-CB 4.26Å; T139-A194 HydrophobicContact CG2-CB 3.93Å; G190-A194 VanDerWaalsContact O-CB 3.32Å; G190-A194 WeakPolarHBondContact O-CB 3.42Å; G190-A194 PolarHBondContact O-N 3.02Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 3.5Å; A194-F197 PolarHBondContact O-N 2.77Å; A194-Y198 WeakPolarHBondContact O-CB 3.48Å; A194-Y198 PolarHBondContact O-N 3.4Å
195K95.8Very high95.8Very high71 Ų7132.5 Ų32.531%0.30915%0.154SC..Hα-helixtrans-63.9-45.9176.4-70.9164.6-174.8163.20112D191 L192 L193 Y198 R199 Y246 R250D191-K195 WeakPolarHBondContact O-CG 3.22Å; D191-K195 PolarHBondContact O-N 3.44Å; D191-K195 VanDerWaalsContact OD1-CE 3.29Å; D191-K195 WeakPolarHBondContact OD1-CE 3.09Å; D191-K195 IonicContact OD1-NZ 3.4Å; D191-K195 PolarHBondContact OD1-NZ 2.8Å; D191-K195 IonicContact OD2-NZ 3.54Å; D191-K195 PolarHBondContact OD2-NZ 3Å; L192-K195 PolarHBondContact O-N 3.29Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 3.37Å; K195-Y198 PolarHBondContact O-N 3.44Å; K195-R199 PolarHBondContact O-N 2.53Å; K195-Y246 PolarHBondContact O-OH 3.26Å; K195-R250 HydrophobicContact CD-CG 4.21Å
196I96Very high95.8Very high0 Ų039.2 Ų39.20%018%0.179CC..Hα-helixtrans-62.5-45177.4-67.4171.1000110.4W85 L192 L193 R199 L200 M211 W243 L247W85-I196 HydrophobicContact CE3-CD1 3.74Å; W85-I196 HydrophobicContact CE3-CG2 4.32Å; W85-I196 HydrophobicContact CH2-CD1 4.33Å; W85-I196 HydrophobicContact CZ3-CD1 3.46Å; W85-I196 VanDerWaalsContact CZ3-CD1 3.46Å; L192-I196 HydrophobicContact CD1-CD1 4.43Å; L192-I196 HydrophobicContact CD1-CG1 4.44Å; L192-I196 HydrophobicContact CD2-CD1 4.3Å; L192-I196 HydrophobicContact CG-CD1 3.9Å; L192-I196 HydrophobicContact CG-CG1 4.33Å; L192-I196 WeakPolarHBondContact O-CG1 3.45Å; L192-I196 PolarHBondContact O-N 3.03Å; L193-I196 PolarHBondContact O-N 2.8Å; I196-R199 WeakPolarHBondContact O-CB 3.33Å; I196-R199 PolarHBondContact O-N 2.94Å; I196-L200 HydrophobicContact CG2-CD1 4.21Å; I196-L200 PolarHBondContact O-N 2.96Å; I196-M211 HydrophobicContact CG2-CE 4.03Å; I196-W243 HydrophobicContact CG2-CH2 4.11Å; I196-W243 HydrophobicContact CG2-CZ3 4.3Å; I196-L247 HydrophobicContact CD1-CD2 3.8Å; I196-L247 HydrophobicContact CG1-CD2 4.05Å
197F98Very high95.9Very high0 Ų038.5 Ų38.50%017%0.173CC..Hα-helixtrans-67.4-37.2-179.8-63-13.1000112.3L88 F89 L92 F135 L138 L193 A194 R199 L200 A201L88-F197 VanDerWaalsContact C-CZ 3.48Å; L88-F197 HydrophobicContact CB-CE1 4.18Å; L88-F197 HydrophobicContact CB-CZ 3.95Å; L88-F197 WeakPolarHBondContact O-CZ 3.19Å; F89-F197 VanDerWaalsContact CA-CE1 3.46Å; F89-F197 HydrophobicContact CB-CD1 3.75Å; F89-F197 HydrophobicContact CB-CE1 3.73Å; F89-F197 HydrophobicContact CB-CG 4.47Å; F89-F197 HydrophobicContact CB-CZ 4.42Å; F89-F197 HydrophobicContact CD2-CB 3.71Å; F89-F197 AromaticContact CD2-CD1 3.71Å; F89-F197 HydrophobicContact CD2-CD1 3.71Å; F89-F197 HydrophobicContact CD2-CD2 4.21Å; F89-F197 HydrophobicContact CD2-CE1 4.38Å; F89-F197 AromaticContact CD2-CG 3.61Å; F89-F197 HydrophobicContact CD2-CG 3.61Å; F89-F197 HydrophobicContact CE2-CB 3.98Å; F89-F197 HydrophobicContact CE2-CG 4.35Å; F89-F197 HydrophobicContact CG-CD1 4.11Å; F89-F197 HydrophobicContact CG-CG 4.45Å; L92-F197 HydrophobicContact CB-CE2 3.81Å; L92-F197 HydrophobicContact CB-CZ 4.36Å; L92-F197 HydrophobicContact CD1-CE2 3.81Å; L92-F197 HydrophobicContact CD1-CZ 4Å; L92-F197 HydrophobicContact CG-CE2 4.44Å; F135-F197 HydrophobicContact CD1-CB 4.15Å; F135-F197 HydrophobicContact CE1-CB 3.45Å; F135-F197 VanDerWaalsContact CE1-CB 3.45Å; F135-F197 HydrophobicContact CE1-CD2 4.5Å; F135-F197 HydrophobicContact CZ-CB 3.94Å; L138-F197 HydrophobicContact CD1-CD2 3.73Å; L138-F197 HydrophobicContact CD1-CE2 3.95Å; L193-F197 HydrophobicContact CB-CD2 4.41Å; L193-F197 HydrophobicContact CB-CE2 3.93Å; L193-F197 HydrophobicContact CB-CZ 4.02Å; L193-F197 HydrophobicContact CD2-CE1 4.15Å; L193-F197 HydrophobicContact CD2-CZ 3.86Å; L193-F197 HydrophobicContact CG-CZ 4.41Å; L193-F197 WeakPolarHBondContact O-CB 3.47Å; L193-F197 WeakPolarHBondContact O-CD1 3.42Å; L193-F197 WeakPolarHBondContact O-CD2 2.86Å; L193-F197 WeakPolarHBondContact O-CG 3.33Å; L193-F197 PolarHBondContact O-N 3.16Å; A194-F197 PolarHBondContact O-N 2.77Å; F197-R199 VanDerWaalsContact C-N 3.27Å; F197-R199 PolarHBondContact O-N 2.85Å; F197-L200 HydrophobicContact CD1-CD1 4.31Å; F197-L200 PolarHBondContact O-N 2.85Å; F197-A201 WeakPolarHBondContact O-CB 3.32Å; F197-A201 PolarHBondContact O-N 3.43Å
198Y97.5Very high96Very high97 Ų9742.7 Ų42.738%0.3819%0.188SC..Hα-helixtrans-54.9-47.2170.2175.8-86000110.9W124 F135 A194 K195 L200 A201 F202W124-Y198 AromaticContact CH2-CD2 3.77Å; W124-Y198 HydrophobicContact CH2-CD2 3.77Å; W124-Y198 AromaticContact CH2-CE2 3.63Å; W124-Y198 HydrophobicContact CH2-CE2 3.63Å; W124-Y198 HydrophobicContact CZ2-CD2 4.24Å; W124-Y198 AromaticContact CZ2-CE2 3.61Å; W124-Y198 HydrophobicContact CZ2-CE2 3.61Å; W124-Y198 HydrophobicContact CZ3-CD2 4.41Å; F135-Y198 HydrophobicContact CD2-CD2 4.18Å; F135-Y198 VanDerWaalsContact CE2-CA 3.42Å; F135-Y198 HydrophobicContact CE2-CD2 4.06Å; F135-Y198 HydrophobicContact CE2-CG 4.4Å; A194-Y198 WeakPolarHBondContact O-CB 3.48Å; A194-Y198 PolarHBondContact O-N 3.4Å; K195-Y198 PolarHBondContact O-N 3.44Å; Y198-L200 VanDerWaalsContact C-N 3.35Å; Y198-L200 PolarHBondContact O-N 3.21Å; Y198-A201 PolarHBondContact O-N 3.01Å; Y198-F202 HydrophobicContact CE1-CB 4.3Å; Y198-F202 HydrophobicContact CE1-CD2 4.42Å; Y198-F202 HydrophobicContact CE1-CG 4.45Å; Y198-F202 WeakPolarHBondContact O-CB 3.37Å; Y198-F202 PolarHBondContact O-N 3.21Å
199R96.3Very high96.1Very high30 Ų3043.8 Ų43.811%0.11320%0.197CC..Hα-helixtrans-65.3-38.5179.8-168.7174.5-173.4-163.214.4112.3K195 I196 F197 H207 H242 W243K195-R199 PolarHBondContact O-N 2.53Å; I196-R199 WeakPolarHBondContact O-CB 3.33Å; I196-R199 PolarHBondContact O-N 2.94Å; F197-R199 VanDerWaalsContact C-N 3.27Å; F197-R199 PolarHBondContact O-N 2.85Å; R199-H207 HydrophobicContact CG-CB 4.21Å; R199-H207 PolarHBondContact NE-CD2 2.84Å; R199-H207 PolarHBondContact NE-NE2 3.32Å; R199-H207 VanDerWaalsContact NE-NE2 3.11Å; R199-H207 PolarHBondContact O-ND1 2.91Å; R199-H242 PolarHBondContact NH1-O 3.38Å; R199-H242 PolarHBondContact NH2-O 3.02Å; R199-W243 HydrophobicContact CB-CH2 4.07Å; R199-W243 HydrophobicContact CG-CH2 4.04Å; R199-W243 HydrophobicContact CG-CZ2 4.36Å; R199-W243 VanDerWaalsContact NH1-CD2 3.26Å
200L97.6Very high96.1Very high0 Ų043.3 Ų43.30%019%0.192CC..Hα-helixtrans-66.7-42.5174.4-71172.7000112.2L86 F89 I196 F197 Y198 F204 H207 M211 W243L86-L200 HydrophobicContact CD2-CD1 4.39Å; L86-L200 HydrophobicContact CD2-CD2 4.03Å; F89-L200 HydrophobicContact CB-CD1 3.89Å; F89-L200 HydrophobicContact CD1-CB 4.17Å; F89-L200 HydrophobicContact CD1-CD1 4.15Å; F89-L200 HydrophobicContact CE1-CB 4.15Å; F89-L200 HydrophobicContact CG-CB 4.46Å; F89-L200 HydrophobicContact CG-CD1 4Å; F89-L200 HydrophobicContact CZ-CB 4.43Å; I196-L200 HydrophobicContact CG2-CD1 4.21Å; I196-L200 PolarHBondContact O-N 2.96Å; F197-L200 HydrophobicContact CD1-CD1 4.31Å; F197-L200 PolarHBondContact O-N 2.85Å; Y198-L200 VanDerWaalsContact C-N 3.35Å; Y198-L200 PolarHBondContact O-N 3.21Å; L200-F204 WeakPolarHBondContact O-CA 3.08Å; L200-F204 VanDerWaalsContact O-CB 3.27Å; L200-F204 WeakPolarHBondContact O-CB 3.19Å; L200-F204 PolarHBondContact O-N 3.36Å; L200-F204 VanDerWaalsContact O-N 3.08Å; L200-H207 HydrophobicContact CD2-CB 4.25Å; L200-M211 HydrophobicContact CD1-CE 4.4Å; L200-M211 HydrophobicContact CD2-CE 4.07Å; L200-M211 HydrophobicContact CG-CE 4.4Å; L200-W243 HydrophobicContact CD2-CZ2 4.24Å
201A98Very high95.9Very high1 Ų143.1 Ų43.11%0.00819%0.189CC..Hα-helixtrans-72-37.1-179.700000112.3F89 F123 W124 F131 F135 F197 Y198F89-A201 HydrophobicContact CE2-CB 4.43Å; F89-A201 HydrophobicContact CZ-CB 4.03Å; F123-A201 WeakPolarHBondContact CD1-O 3.1Å; F123-A201 HydrophobicContact CE1-CB 4.45Å; W124-A201 HydrophobicContact CE3-CB 3.85Å; W124-A201 HydrophobicContact CZ3-CB 3.95Å; F131-A201 HydrophobicContact CD1-CB 4.2Å; F131-A201 HydrophobicContact CD2-CB 4.16Å; F131-A201 HydrophobicContact CE1-CB 4.19Å; F131-A201 HydrophobicContact CE2-CB 4.14Å; F131-A201 HydrophobicContact CG-CB 4.2Å; F131-A201 HydrophobicContact CZ-CB 4.18Å; F135-A201 HydrophobicContact CZ-CB 4.07Å; F197-A201 WeakPolarHBondContact O-CB 3.32Å; F197-A201 PolarHBondContact O-N 3.43Å; Y198-A201 PolarHBondContact O-N 3.01Å
202F97.6Very high95.6Very high92 Ų9239.5 Ų39.540%0.40417%0.17SC..Hα-helixtrans-64.9-40.7-177.5-176.5-93.6000113.1W124 Y198W124-F202 AromaticContact CD1-CD2 3.83Å; W124-F202 HydrophobicContact CD2-CD2 4.29Å; W124-F202 HydrophobicContact CG-CD2 4.14Å; W124-F202 AromaticContact NE1-CD2 3.79Å; Y198-F202 HydrophobicContact CE1-CB 4.3Å; Y198-F202 HydrophobicContact CE1-CD2 4.42Å; Y198-F202 HydrophobicContact CE1-CG 4.45Å; Y198-F202 WeakPolarHBondContact O-CB 3.37Å; Y198-F202 PolarHBondContact O-N 3.21Å
203D97.1Very high95.3Very high30 Ų3040 Ų4016%0.1617%0.172CC..  trans-153.980.3177179.4-7.8000109A120 R205 R206 H207A120-D203 HydrophobicContact CB-CB 4Å; D203-R205 VanDerWaalsContact C-N 3.34Å; D203-R205 PolarHBondContact O-N 3.38Å; D203-R206 HydrophobicContact CB-CB 4.24Å; D203-R206 PolarHBondContact O-N 3.13Å; D203-R206 WeakPolarHBondContact OD1-CB 3.45Å; D203-R206 PolarHBondContact OD1-N 3.01Å; D203-R206 WeakPolarHBondContact OD2-CB 3.01Å; D203-R206 WeakPolarHBondContact OD2-CD 3.25Å; D203-H207 WeakPolarHBondContact O-CB 3.48Å; D203-H207 PolarHBondContact O-N 3.49Å; D203-H207 PolarHBondContact O-ND1 2.78Å
204F97.4Very high94.7Very high4 Ų440 Ų402%0.01817%0.173CC..Hα-helixtrans-60.7-43.9-174.4-173.9-107.8000111.7L86 F89 I117 H118 L200 R206 H207 R208L86-F204 HydrophobicContact CD2-CE2 3.59Å; L86-F204 HydrophobicContact CD2-CZ 3.95Å; F89-F204 HydrophobicContact CD1-CE2 4.35Å; F89-F204 HydrophobicContact CE1-CD2 4.32Å; F89-F204 HydrophobicContact CE1-CE2 4.32Å; I117-F204 HydrophobicContact CD1-CD1 3.92Å; I117-F204 HydrophobicContact CD1-CE1 3.79Å; I117-F204 HydrophobicContact CD1-CE2 4.46Å; I117-F204 HydrophobicContact CD1-CG 4.31Å; I117-F204 HydrophobicContact CD1-CZ 4.09Å; I117-F204 HydrophobicContact CG1-CB 4.3Å; I117-F204 HydrophobicContact CG1-CD1 3.7Å; I117-F204 HydrophobicContact CG1-CE1 4.11Å; I117-F204 HydrophobicContact CG1-CG 3.98Å; I117-F204 HydrophobicContact CG2-CD1 4.45Å; I117-F204 VanDerWaalsContact O-CB 3.29Å; I117-F204 WeakPolarHBondContact O-CB 3.26Å; H118-F204 AromaticContact CE1-CD1 3.64Å; H118-F204 AromaticContact CE1-CE1 3.65Å; H118-F204 AromaticContact ND1-CD1 3.72Å; L200-F204 WeakPolarHBondContact O-CA 3.08Å; L200-F204 VanDerWaalsContact O-CB 3.27Å; L200-F204 WeakPolarHBondContact O-CB 3.19Å; L200-F204 PolarHBondContact O-N 3.36Å; L200-F204 VanDerWaalsContact O-N 3.08Å; F204-R206 VanDerWaalsContact C-N 3.27Å; F204-R206 PolarHBondContact O-N 3.27Å; F204-H207 PolarHBondContact O-N 3.05Å; F204-R208 HydrophobicContact CD1-CB 4.37Å; F204-R208 HydrophobicContact CD2-CB 4.37Å; F204-R208 HydrophobicContact CE1-CB 4.19Å; F204-R208 HydrophobicContact CE2-CB 4.18Å; F204-R208 HydrophobicContact CG-CB 4.47Å; F204-R208 HydrophobicContact CZ-CB 4.09Å; F204-R208 WeakPolarHBondContact O-CB 3.35Å; F204-R208 VanDerWaalsContact O-CG 3.27Å; F204-R208 WeakPolarHBondContact O-CG 3.46Å; F204-R208 PolarHBondContact O-N 3.45Å
205R96.4Very high94.1Very high177 Ų17739.8 Ų39.867%0.66817%0.17SC*.Hα-helixtrans-55.6-43179.6-178.7177.6176.9168.5-0.3111.7H118 D203H118-R205 HydrophobicContact CB-CB 4.15Å; H118-R205 WeakPolarHBondContact O-CB 3.34Å; H118-R205 WeakPolarHBondContact O-CD 3.17Å; D203-R205 VanDerWaalsContact C-N 3.34Å; D203-R205 PolarHBondContact O-N 3.38Å
206R95.5Very high93.6Very high141 Ų14136.4 Ų36.453%0.53216%0.156SC..Hα-helixtrans-74.9-38.9179.2-174.6175.3-178.5167.6-0.3112.8D203 F204D203-R206 HydrophobicContact CB-CB 4.24Å; D203-R206 PolarHBondContact O-N 3.13Å; D203-R206 WeakPolarHBondContact OD1-CB 3.45Å; D203-R206 PolarHBondContact OD1-N 3.01Å; D203-R206 WeakPolarHBondContact OD2-CB 3.01Å; D203-R206 WeakPolarHBondContact OD2-CD 3.25Å; F204-R206 VanDerWaalsContact C-N 3.27Å; F204-R206 PolarHBondContact O-N 3.27Å
207H95.7Very high93.1Very high18 Ų1836.6 Ų36.68%0.08316%0.157CC..Hα-helixtrans-99.5-13-166.3-63116000114.9R199 L200 D203 F204 S209 W243R199-H207 HydrophobicContact CG-CB 4.21Å; R199-H207 PolarHBondContact NE-CD2 2.84Å; R199-H207 PolarHBondContact NE-NE2 3.32Å; R199-H207 VanDerWaalsContact NE-NE2 3.11Å; R199-H207 PolarHBondContact O-ND1 2.91Å; L200-H207 HydrophobicContact CD2-CB 4.25Å; D203-H207 WeakPolarHBondContact O-CB 3.48Å; D203-H207 PolarHBondContact O-N 3.49Å; D203-H207 PolarHBondContact O-ND1 2.78Å; F204-H207 PolarHBondContact O-N 3.05Å; H207-S209 PolarHBondContact O-N 3.01Å; H207-W243 HydrophobicContact CB-CZ2 3.86Å; H207-W243 WeakPolarHBondContact O-CZ2 3.17Å; H207-W243 PolarHBondContact O-NE1 3.25Å
208R95.5Very high92.5Very high98 Ų9836.8 Ų36.837%0.3716%0.158SC..SBendtrans-64.4-6.4179.668.9177.4-66.9-173.86.9115.8S82 L86 H118 F204S82-R208 WeakPolarHBondContact CB-O 3.45Å; S82-R208 PolarHBondContact OG-O 3.21Å; L86-R208 HydrophobicContact CD2-CB 4.15Å; H118-R208 PolarHBondContact CE1-NH1 3.37Å; F204-R208 HydrophobicContact CD1-CB 4.37Å; F204-R208 HydrophobicContact CD2-CB 4.37Å; F204-R208 HydrophobicContact CE1-CB 4.19Å; F204-R208 HydrophobicContact CE2-CB 4.18Å; F204-R208 HydrophobicContact CG-CB 4.47Å; F204-R208 HydrophobicContact CZ-CB 4.09Å; F204-R208 WeakPolarHBondContact O-CB 3.35Å; F204-R208 VanDerWaalsContact O-CG 3.27Å; F204-R208 WeakPolarHBondContact O-CG 3.46Å; F204-R208 PolarHBondContact O-N 3.45Å
209S94.5Very high91.9Very high35 Ų3533.5 Ų33.525%0.24515%0.151CC..SBendtrans-137.3156.9-174.255.50000111.3H207 K239 W243H207-S209 PolarHBondContact O-N 3.01Å; S209-K239 WeakPolarHBondContact OG-CD 3.49Å; S209-K239 PolarHBondContact OG-NZ 3.17Å; S209-W243 PolarHBondContact O-NE1 3Å
210G92.1Very high91.3Very high14 Ų1437.6 Ų37.614%0.14418%0.182CC..  trans82.915.2-178.900000114.1Q240 W243G210-Q240 VanDerWaalsContact O-CA 3.31Å; G210-Q240 WeakPolarHBondContact O-CA 3.39Å; G210-W243 VanDerWaalsContact C-CD1 3.45Å; G210-W243 WeakPolarHBondContact O-CB 3.44Å
211M91.9Very high90.5Very high4 Ų442.9 Ų42.92%0.0221%0.207CC..  trans-64.9155.5166.3-65.6-78-162.700110.5S82 W85 I196 L200 W243S82-M211 WeakPolarHBondContact OG-CB 3.27Å; S82-M211 PolarHBondContact OG-N 3Å; W85-M211 HydrophobicContact CB-CE 3.71Å; W85-M211 HydrophobicContact CB-CG 4.46Å; W85-M211 HydrophobicContact CB-SD 4.36Å; W85-M211 HydrophobicContact CD2-SD 4.38Å; W85-M211 HydrophobicContact CG-CE 3.89Å; W85-M211 HydrophobicContact CG-CG 4.1Å; W85-M211 HydrophobicContact CG-SD 3.9Å; I196-M211 HydrophobicContact CG2-CE 4.03Å; L200-M211 HydrophobicContact CD1-CE 4.4Å; L200-M211 HydrophobicContact CD2-CE 4.07Å; L200-M211 HydrophobicContact CG-CE 4.4Å; M211-W243 HydrophobicContact CE-CD2 3.98Å; M211-W243 VanDerWaalsContact CE-CE2 3.44Å; M211-W243 HydrophobicContact CE-CE3 4.09Å; M211-W243 HydrophobicContact CE-CH2 3.2Å; M211-W243 HydrophobicContact CE-CZ2 3.03Å; M211-W243 HydrophobicContact CE-CZ3 3.74Å; M211-W243 HydrophobicContact CG-CD2 4.42Å; M211-W243 HydrophobicContact SD-CD2 3.35Å; M211-W243 HydrophobicContact SD-CE3 3.57Å; M211-W243 VanDerWaalsContact SD-CE3 3.57Å; M211-W243 HydrophobicContact SD-CG 3.93Å; M211-W243 HydrophobicContact SD-CH2 3.86Å; M211-W243 HydrophobicContact SD-CZ2 3.65Å; M211-W243 HydrophobicContact SD-CZ3 3.82Å
212P88.2Confident89.9Confident1 Ų151 Ų511%0.00624%0.237CC..  trans-59.1144-179.2-26.637.2000114E81 L214 V226 E228 L244 L247E81-P212 WeakPolarHBondContact CA-O 3.42Å; P212-L214 PolarHBondContact O-N 2.85Å; P212-V226 HydrophobicContact CB-CB 3.84Å; P212-V226 HydrophobicContact CB-CG2 4.43Å; P212-V226 HydrophobicContact CG-CB 3.81Å; P212-V226 HydrophobicContact CG-CG1 4.49Å; P212-V226 HydrophobicContact CG-CG2 3.94Å; P212-E228 VanDerWaalsContact CA-OE2 3.27Å; P212-E228 WeakPolarHBondContact CA-OE2 3.02Å; P212-L244 HydrophobicContact CG-CD2 3.89Å; P212-L247 HydrophobicContact CG-CD1 3.96Å
213D86.1Confident89.3Confident19 Ų1952.5 Ų52.510%0.10224%0.244CC..SBendtrans-58-43.5-177.4-62-36.8000113.5H79 T80 E81 V227 E228 V229H79-D213 WeakPolarHBondContact CA-O 3.27Å; H79-D213 PolarHBondContact CD2-O 2.98Å; H79-D213 VanDerWaalsContact CD2-O 3.24Å; T80-D213 PolarHBondContact N-O 3.45Å; E81-D213 PolarHBondContact N-O 3.01Å; E81-D213 VanDerWaalsContact N-O 3.17Å; D213-V227 PolarHBondContact N-O 3.41Å; D213-E228 PolarHBondContact N-OE2 3.44Å; D213-V229 HydrophobicContact CB-CB 4.32Å; D213-V229 HydrophobicContact CB-CG2 4.21Å; D213-V229 VanDerWaalsContact OD2-CA 3.26Å; D213-V229 WeakPolarHBondContact OD2-CA 3.44Å; D213-V229 VanDerWaalsContact OD2-CB 3.29Å; D213-V229 WeakPolarHBondContact OD2-CB 3.45Å; D213-V229 PolarHBondContact OD2-N 3.33Å; D213-V229 VanDerWaalsContact OD2-O 3.09Å
214L84Confident88.8Confident2 Ų252.4 Ų52.41%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-118.1135.5-171.9-74.1173.4000111.7I63 R66 M78 H79 P212 V226 V227 V229I63-L214 HydrophobicContact CG2-CD1 4.46Å; I63-L214 HydrophobicContact CG2-CD2 3.67Å; I63-L214 HydrophobicContact CG2-CG 4.21Å; R66-L214 HydrophobicContact CB-CD1 3.99Å; M78-L214 WeakPolarHBondContact O-CA 3.16Å; M78-L214 WeakPolarHBondContact O-CD2 3.39Å; H79-L214 HydrophobicContact CB-CD2 3.87Å; P212-L214 PolarHBondContact O-N 2.85Å; L214-V226 CarbonylContact O-C 3.55Å; L214-V226 WeakPolarHBondContact O-CA 3.28Å; L214-V227 HydrophobicContact CB-CB 3.93Å; L214-V227 WeakPolarHBondContact CB-O 3.29Å; L214-V227 HydrophobicContact CD1-CB 4.44Å; L214-V227 HydrophobicContact CD1-CG1 4.39Å; L214-V227 PolarHBondContact N-O 3.26Å; L214-V227 PolarHBondContact O-N 2.84Å; L214-V229 HydrophobicContact CD1-CG2 3.7Å; L214-V229 HydrophobicContact CG-CG2 4.19Å
215L85.7Confident88.2Confident1 Ų154.6 Ų54.61%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-108.9126.9158.9-177.671.9000108.2G77 M78 I84 W85 V184 I188 W217 F224 V226G77-L215 CarbonylContact C-O 3.44Å; G77-L215 WeakPolarHBondContact CA-O 3.45Å; M78-L215 PolarHBondContact N-O 3.22Å; M78-L215 PolarHBondContact O-N 3.04Å; I84-L215 HydrophobicContact CD1-CB 4.38Å; I84-L215 HydrophobicContact CD1-CD2 3.57Å; W85-L215 HydrophobicContact CH2-CD1 4.08Å; W85-L215 HydrophobicContact CZ2-CD1 4.14Å; V184-L215 HydrophobicContact CG1-CD2 3.45Å; V184-L215 VanDerWaalsContact CG1-CD2 3.45Å; V184-L215 HydrophobicContact CG2-CD2 4.32Å; I188-L215 HydrophobicContact CD1-CD2 4.17Å; L215-W217 HydrophobicContact CD2-CE3 4.12Å; L215-W217 HydrophobicContact CD2-CZ3 4.41Å; L215-W217 HydrophobicContact CG-CE3 4Å; L215-W217 HydrophobicContact CG-CZ3 4.42Å; L215-W217 WeakPolarHBondContact O-CZ3 3.1Å; L215-F224 HydrophobicContact CD1-CB 4.33Å; L215-F224 HydrophobicContact CD1-CD2 3.62Å; L215-F224 HydrophobicContact CD1-CE2 4.37Å; L215-F224 HydrophobicContact CD1-CG 4.35Å; L215-V226 HydrophobicContact CD1-CG1 3.73Å
216V84.9Confident87.7Confident1 Ų146.4 Ų46.41%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-123.1137.5174.6-60.60000109.3Y70 F74 K76 F224 K225 V227Y70-V216 HydrophobicContact CD1-CG2 4.16Å; Y70-V216 HydrophobicContact CD2-CG1 4.44Å; Y70-V216 HydrophobicContact CG-CG1 4.24Å; Y70-V216 HydrophobicContact CG-CG2 4.09Å; F74-V216 HydrophobicContact CB-CB 3.94Å; F74-V216 HydrophobicContact CB-CG2 4.32Å; F74-V216 HydrophobicContact CD1-CG2 4.31Å; F74-V216 HydrophobicContact CD2-CB 4.15Å; F74-V216 HydrophobicContact CD2-CG2 3.58Å; F74-V216 HydrophobicContact CE2-CG2 3.95Å; F74-V216 HydrophobicContact CG-CB 3.95Å; F74-V216 HydrophobicContact CG-CG2 3.78Å; F74-V216 HydrophobicContact CZ-CG2 4.45Å; K76-V216 WeakPolarHBondContact O-CA 3.35Å; V216-F224 CarbonylContact O-C 3.55Å; V216-F224 WeakPolarHBondContact O-CA 3.42Å; V216-F224 VanDerWaalsContact O-CB 3.29Å; V216-F224 WeakPolarHBondContact O-CB 3.18Å; V216-K225 HydrophobicContact CG2-CB 3.8Å; V216-K225 PolarHBondContact N-O 3.39Å; V216-K225 PolarHBondContact O-N 3.03Å; V216-V227 HydrophobicContact CG2-CG2 4.31Å
217W86.3Confident87.1Confident3 Ų340 Ų401%0.01120%0.198CC..EExtended strand (participates in β ladder)trans-149.9161-175.37298.4000114.1F74 S75 K76 G77 M78 F180 E183 V184 V187 L215 K223 F224F74-W217 CarbonylContact C-O 3.56Å; S75-W217 PolarHBondContact N-O 3.02Å; S75-W217 VanDerWaalsContact N-O 3.13Å; S75-W217 PolarHBondContact OG-O 3.48Å; K76-W217 HydrophobicContact CB-CD2 4.03Å; K76-W217 HydrophobicContact CB-CE3 4.47Å; K76-W217 HydrophobicContact CB-CH2 3.91Å; K76-W217 HydrophobicContact CB-CZ2 3.46Å; K76-W217 VanDerWaalsContact CB-CZ2 3.46Å; K76-W217 HydrophobicContact CB-CZ3 4.43Å; K76-W217 HydrophobicContact CD-CZ2 3.82Å; K76-W217 HydrophobicContact CG-CZ2 4.28Å; K76-W217 PolarHBondContact N-O 2.79Å; K76-W217 PolarHBondContact O-N 3.36Å; G77-W217 VanDerWaalsContact CA-CZ3 3.42Å; M78-W217 HydrophobicContact CB-CH2 4.38Å; M78-W217 HydrophobicContact CB-CZ3 4.25Å; F180-W217 HydrophobicContact CD2-CH2 4.41Å; F180-W217 HydrophobicContact CD2-CZ2 4.31Å; F180-W217 AromaticContact CE2-CH2 3.33Å; F180-W217 HydrophobicContact CE2-CH2 3.33Å; F180-W217 AromaticContact CE2-CZ2 3.61Å; F180-W217 HydrophobicContact CE2-CZ2 3.61Å; F180-W217 HydrophobicContact CE2-CZ3 4.48Å; F180-W217 AromaticContact CZ-CH2 3.5Å; F180-W217 HydrophobicContact CZ-CH2 3.5Å; F180-W217 AromaticContact CZ-CZ2 3.99Å; F180-W217 HydrophobicContact CZ-CZ2 3.99Å; F180-W217 HydrophobicContact CZ-CZ3 4.3Å; E183-W217 PolarHBondContact OE1-NE1 3.24Å; V184-W217 HydrophobicContact CG2-CD2 4.23Å; V184-W217 HydrophobicContact CG2-CE3 4.37Å; V184-W217 HydrophobicContact CG2-CH2 3.96Å; V184-W217 HydrophobicContact CG2-CZ2 3.73Å; V184-W217 HydrophobicContact CG2-CZ3 4.24Å; V187-W217 HydrophobicContact CG1-CB 3.96Å; L215-W217 HydrophobicContact CD2-CE3 4.12Å; L215-W217 HydrophobicContact CD2-CZ3 4.41Å; L215-W217 HydrophobicContact CG-CE3 4Å; L215-W217 HydrophobicContact CG-CZ3 4.42Å; L215-W217 WeakPolarHBondContact O-CZ3 3.1Å; W217-K223 CarbonylContact C-O 3.44Å; W217-K223 VanDerWaalsContact CA-O 3.27Å; W217-K223 WeakPolarHBondContact CA-O 3.22Å; W217-F224 HydrophobicContact CB-CB 3.63Å
218N84.2Confident86.5Confident4 Ų440.1 Ų40.12%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-128.2106.5173.1-174.5-45000107.2F73 F74 C220 Q221 R222 K223F73-N218 PolarHBondContact O-ND2 3.12Å; F74-N218 HydrophobicContact CD1-CB 4.3Å; N218-C220 PolarHBondContact OD1-N 3.24Å; N218-Q221 HydrophobicContact CB-CB 4.17Å; N218-Q221 PolarHBondContact O-N 2.76Å; N218-Q221 PolarHBondContact OD1-N 2.93Å; N218-R222 PolarHBondContact O-N 2.9Å; N218-K223 PolarHBondContact N-O 3.03Å; N218-K223 PolarHBondContact O-N 3.31Å; N218-K223 VanDerWaalsContact O-N 3.16Å
219A85Confident85.7Confident29 Ų2936 Ų3624%0.2418%0.184CC..THydrogen-bonded Turntrans-64-42.9-17700000112E183 V187 Q221 R222E183-A219 HydrophobicContact CG-CB 3.74Å; V187-A219 HydrophobicContact CG2-CB 4.16Å; A219-Q221 VanDerWaalsContact C-N 3.3Å; A219-Q221 PolarHBondContact O-N 3.11Å; A219-R222 PolarHBondContact O-N 3.36Å; A219-R222 VanDerWaalsContact O-N 3.13Å
220C83.5Confident84.8Confident115 Ų11536.3 Ų36.378%0.77718%0.181SC*.THydrogen-bonded Turntrans-61.5-37.9179.5-58.30000112.4N218N218-C220 PolarHBondContact OD1-N 3.24Å
221Q82.1Confident83.9Confident111 Ų11137.7 Ų37.752%0.51919%0.191SC..THydrogen-bonded Turntrans-89.4-5.4178.9-64.3-173.4-15.600113.6N218 A219 K223N218-Q221 HydrophobicContact CB-CB 4.17Å; N218-Q221 PolarHBondContact O-N 2.76Å; N218-Q221 PolarHBondContact OD1-N 2.93Å; A219-Q221 VanDerWaalsContact C-N 3.3Å; A219-Q221 PolarHBondContact O-N 3.11Å; Q221-K223 HydrophobicContact CB-CB 4.4Å; Q221-K223 HydrophobicContact CB-CD 4.28Å; Q221-K223 HydrophobicContact CB-CG 4.27Å; Q221-K223 PolarHBondContact O-N 2.95Å
222R84.1Confident83Confident171 Ų17142.6 Ų42.665%0.64522%0.221SC*.THydrogen-bonded Turntrans47.646.1-171.2-63.7-174.7168.6175.1-3.3112.3N218 A219N218-R222 PolarHBondContact O-N 2.9Å; A219-R222 PolarHBondContact O-N 3.36Å; A219-R222 VanDerWaalsContact O-N 3.13Å
223K85.3Confident82.5Confident124 Ų12446 Ų4654%0.53926%0.256SS..EExtended strand (participates in β ladder)trans-122.5139.6179-73.9179.7-177.1-179.60109.8F74 W217 N218 Q221F74-K223 HydrophobicContact CE1-CB 4.27Å; W217-K223 CarbonylContact C-O 3.44Å; W217-K223 VanDerWaalsContact CA-O 3.27Å; W217-K223 WeakPolarHBondContact CA-O 3.22Å; N218-K223 PolarHBondContact N-O 3.03Å; N218-K223 PolarHBondContact O-N 3.31Å; N218-K223 VanDerWaalsContact O-N 3.16Å; Q221-K223 HydrophobicContact CB-CB 4.4Å; Q221-K223 HydrophobicContact CB-CD 4.28Å; Q221-K223 HydrophobicContact CB-CG 4.27Å; Q221-K223 PolarHBondContact O-N 2.95Å
224F87.3Confident82.4Confident28 Ų2849.9 Ų49.912%0.12328%0.277CS..EExtended strand (participates in β ladder)trans-140.1165.1169.469.8-78.8000110.8V187 I188 L192 L215 V216 W217 L251V187-F224 HydrophobicContact CG1-CB 3.93Å; V187-F224 HydrophobicContact CG1-CD1 3.94Å; V187-F224 HydrophobicContact CG1-CG 4.36Å; V187-F224 WeakPolarHBondContact O-CD1 3.33Å; I188-F224 HydrophobicContact CB-CE1 4.37Å; I188-F224 HydrophobicContact CB-CZ 4.36Å; I188-F224 HydrophobicContact CG1-CD1 4.45Å; I188-F224 HydrophobicContact CG1-CD2 4.43Å; I188-F224 HydrophobicContact CG1-CE1 4.32Å; I188-F224 HydrophobicContact CG1-CE2 4.26Å; I188-F224 HydrophobicContact CG1-CG 4.5Å; I188-F224 HydrophobicContact CG1-CZ 4.18Å; I188-F224 HydrophobicContact CG2-CZ 4.18Å; L192-F224 HydrophobicContact CD2-CE2 4.3Å; L192-F224 HydrophobicContact CD2-CZ 3.6Å; L215-F224 HydrophobicContact CD1-CB 4.33Å; L215-F224 HydrophobicContact CD1-CD2 3.62Å; L215-F224 HydrophobicContact CD1-CE2 4.37Å; L215-F224 HydrophobicContact CD1-CG 4.35Å; V216-F224 CarbonylContact O-C 3.55Å; V216-F224 WeakPolarHBondContact O-CA 3.42Å; V216-F224 VanDerWaalsContact O-CB 3.29Å; V216-F224 WeakPolarHBondContact O-CB 3.18Å; W217-F224 HydrophobicContact CB-CB 3.63Å; F224-L251 HydrophobicContact CE1-CD2 4.22Å; F224-L251 HydrophobicContact CE2-CD1 4.36Å; F224-L251 HydrophobicContact CE2-CD2 3.92Å; F224-L251 HydrophobicContact CZ-CD2 3.42Å; F224-L251 VanDerWaalsContact CZ-CD2 3.42Å
225K84.7Confident82.6Confident51 Ų5160.5 Ų60.522%0.22232%0.317CS..EExtended strand (participates in β ladder)trans-136.3145.5166.7-72.9-177.4-175.8-173.30108.6F74 V216 V227 T255F74-K225 HydrophobicContact CE1-CG 4.36Å; F74-K225 HydrophobicContact CE2-CB 4.41Å; F74-K225 HydrophobicContact CE2-CD 3.72Å; F74-K225 HydrophobicContact CE2-CG 4.07Å; F74-K225 HydrophobicContact CZ-CB 4.13Å; F74-K225 HydrophobicContact CZ-CD 3.63Å; F74-K225 HydrophobicContact CZ-CG 3.55Å; V216-K225 HydrophobicContact CG2-CB 3.8Å; V216-K225 PolarHBondContact N-O 3.39Å; V216-K225 PolarHBondContact O-N 3.03Å; K225-V227 HydrophobicContact CB-CG2 4.42Å; K225-T255 WeakPolarHBondContact CE-OG1 3.47Å; K225-T255 PolarHBondContact NZ-OG1 3.16Å
226V85.3Confident82.6Confident4 Ų462.5 Ų62.52%0.02433%0.327CS..EExtended strand (participates in β ladder)trans-96.3140.7161.5-65.50000108.5W85 P212 L214 L215 L247 L251 L254W85-V226 HydrophobicContact CH2-CG1 3.83Å; W85-V226 HydrophobicContact CZ2-CG1 3.48Å; W85-V226 VanDerWaalsContact CZ2-CG1 3.48Å; P212-V226 HydrophobicContact CB-CB 3.84Å; P212-V226 HydrophobicContact CB-CG2 4.43Å; P212-V226 HydrophobicContact CG-CB 3.81Å; P212-V226 HydrophobicContact CG-CG1 4.49Å; P212-V226 HydrophobicContact CG-CG2 3.94Å; L214-V226 CarbonylContact O-C 3.55Å; L214-V226 WeakPolarHBondContact O-CA 3.28Å; L215-V226 HydrophobicContact CD1-CG1 3.73Å; V226-L247 HydrophobicContact CG2-CD1 3.93Å; V226-L251 HydrophobicContact CG2-CD1 4.42Å; V226-L254 HydrophobicContact CG2-CD1 4.22Å; V226-L254 HydrophobicContact CG2-CD2 3.41Å; V226-L254 VanDerWaalsContact CG2-CD2 3.41Å
227V82.7Confident82.9Confident6 Ų664.8 Ų64.84%0.03634%0.343CS..EExtended strand (participates in β ladder)trans-134.1126.3-174.9179.70000108.2Y70 D213 L214 V216 K225 V229Y70-V227 HydrophobicContact CD2-CG2 4.19Å; Y70-V227 HydrophobicContact CE1-CG2 3.97Å; Y70-V227 HydrophobicContact CE2-CB 4.18Å; Y70-V227 HydrophobicContact CE2-CG1 3.66Å; Y70-V227 HydrophobicContact CE2-CG2 3.64Å; Y70-V227 VanDerWaalsContact CZ-CG2 3.49Å; D213-V227 PolarHBondContact N-O 3.41Å; L214-V227 HydrophobicContact CB-CB 3.93Å; L214-V227 WeakPolarHBondContact CB-O 3.29Å; L214-V227 HydrophobicContact CD1-CB 4.44Å; L214-V227 HydrophobicContact CD1-CG1 4.39Å; L214-V227 PolarHBondContact N-O 3.26Å; L214-V227 PolarHBondContact O-N 2.84Å; V216-V227 HydrophobicContact CG2-CG2 4.31Å; K225-V227 HydrophobicContact CB-CG2 4.42Å; V227-V229 HydrophobicContact CG1-CG2 4.47Å
228E83.7Confident83.2Confident22 Ų2270.4 Ų70.410%0.10337%0.371CS..  trans-95.5137.1172.9-178.163.8-178.900109.9R66 P212 D213 K230 L236 Q240 L244R66-E228 PolarHBondContact NH1-O 3.31Å; P212-E228 VanDerWaalsContact CA-OE2 3.27Å; P212-E228 WeakPolarHBondContact CA-OE2 3.02Å; D213-E228 PolarHBondContact N-OE2 3.44Å; E228-K230 WeakPolarHBondContact OE1-CE 3.38Å; E228-K230 IonicContact OE1-NZ 2.6Å; E228-K230 PolarHBondContact OE1-NZ 2.88Å; E228-L236 HydrophobicContact CB-CD2 4.39Å; E228-L236 HydrophobicContact CG-CD2 3.38Å; E228-Q240 WeakPolarHBondContact OE1-CG 3.15Å; E228-Q240 PolarHBondContact OE1-NE2 2.83Å; E228-Q240 PolarHBondContact OE1-OE1 3.43Å; E228-L244 HydrophobicContact CB-CD1 4.07Å; E228-L244 HydrophobicContact CB-CD2 4.29Å; E228-L244 HydrophobicContact CG-CD1 4.26Å
229V79Confident83.5Confident10 Ų1075 Ų756%0.06139%0.391CS..  trans-111.8129.1-176.4-176.20000111I62 I63 R66 D213 L214 V227I62-V229 HydrophobicContact CB-CG1 4.38Å; I62-V229 HydrophobicContact CD1-CG1 4.35Å; I62-V229 HydrophobicContact CG1-CG1 4.03Å; I62-V229 HydrophobicContact CG2-CG1 3.63Å; I63-V229 HydrophobicContact CG1-CB 4.34Å; I63-V229 HydrophobicContact CG1-CG1 4.18Å; I63-V229 HydrophobicContact CG1-CG2 4.4Å; R66-V229 VanDerWaalsContact CD-CG2 3.47Å; D213-V229 HydrophobicContact CB-CB 4.32Å; D213-V229 HydrophobicContact CB-CG2 4.21Å; D213-V229 VanDerWaalsContact OD2-CA 3.26Å; D213-V229 WeakPolarHBondContact OD2-CA 3.44Å; D213-V229 VanDerWaalsContact OD2-CB 3.29Å; D213-V229 WeakPolarHBondContact OD2-CB 3.45Å; D213-V229 PolarHBondContact OD2-N 3.33Å; D213-V229 VanDerWaalsContact OD2-O 3.09Å; L214-V229 HydrophobicContact CD1-CG2 3.7Å; L214-V229 HydrophobicContact CG-CG2 4.19Å; V227-V229 HydrophobicContact CG1-CG2 4.47Å
230K75.7Confident83.8Confident43 Ų4375 Ų7519%0.18739%0.386CS..  trans-132.6133176.5-64.6-66161.9-124.60109.7R66 E228 D234 L236R66-K230 PolarHBondContact NH2-O 3.47Å; E228-K230 WeakPolarHBondContact OE1-CE 3.38Å; E228-K230 IonicContact OE1-NZ 2.6Å; E228-K230 PolarHBondContact OE1-NZ 2.88Å; K230-D234 HydrophobicContact CB-CB 4.1Å; K230-D234 HydrophobicContact CD-CB 3.85Å; K230-L236 HydrophobicContact CG-CD2 4.39Å
231A73.4Confident84.1Confident43 Ų4373.5 Ų73.536%0.35537%0.366SS..  trans-71.3165.6166.900000109.7G233 D234A231-G233 PolarHBondContact O-N 3.43Å; A231-G233 VanDerWaalsContact O-N 3.16Å; A231-D234 WeakPolarHBondContact CB-OD2 3.32Å; A231-D234 PolarHBondContact N-OD2 3.04Å; A231-D234 WeakPolarHBondContact O-CB 3.29Å; A231-D234 PolarHBondContact O-N 3.21Å
232V71.1Confident84.5Confident107 Ų10771.2 Ų71.265%0.64836%0.355SS*.THydrogen-bonded Turntrans-61.1120.8175.8179.50000108.8L261V232-L261 HydrophobicContact CG2-CB 4.11Å
233G78.7Confident84.9Confident71 Ų7163.2 Ų63.273%0.73233%0.325SS*.THydrogen-bonded Turntrans96.9-15.9-178.300000114.9A231A231-G233 PolarHBondContact O-N 3.43Å; A231-G233 VanDerWaalsContact O-N 3.16Å
234D84.6Confident85Confident102 Ų10258.6 Ų58.655%0.54531%0.306SS..  trans-75.1144.1175.8-72.9-17.5000111.3K230 A231K230-D234 HydrophobicContact CB-CB 4.1Å; K230-D234 HydrophobicContact CD-CB 3.85Å; A231-D234 WeakPolarHBondContact CB-OD2 3.32Å; A231-D234 PolarHBondContact N-OD2 3.04Å; A231-D234 WeakPolarHBondContact O-CB 3.29Å; A231-D234 PolarHBondContact O-N 3.21Å
235R86.7Confident85Confident225 Ų22563 Ų6385%0.84933%0.327SS*.  trans-112150.8177.3-63.7-177.8179.2-178.8-0.3110.7S237R235-S237 PolarHBondContact O-N 2.99Å
236L87.5Confident85.3Confident42 Ų4262.1 Ų62.122%0.2232%0.323CS..  trans-60.4126.5167.6-65.9170.9000110.2E228 K230 Q240 K241 L244E228-L236 HydrophobicContact CB-CD2 4.39Å; E228-L236 HydrophobicContact CG-CD2 3.38Å; K230-L236 HydrophobicContact CG-CD2 4.39Å; L236-Q240 HydrophobicContact CD2-CB 4.21Å; L236-K241 HydrophobicContact CB-CD 4.41Å; L236-K241 HydrophobicContact CB-CG 3.7Å; L236-K241 HydrophobicContact CD1-CG 4.19Å; L236-L244 HydrophobicContact CD1-CD1 4.04Å; L236-L244 HydrophobicContact CD2-CD1 3.86Å
237S89.7Confident85.4Confident50 Ų5062 Ų6235%0.3532%0.322SS..  trans-65157.4167.571.60000110.4R235 K239 Q240 K241R235-S237 PolarHBondContact O-N 2.99Å; S237-K239 PolarHBondContact O-N 3.25Å; S237-Q240 PolarHBondContact O-N 2.87Å; S237-Q240 VanDerWaalsContact O-N 3.12Å; S237-Q240 VanDerWaalsContact OG-CD 3.24Å; S237-Q240 WeakPolarHBondContact OG-CG 3.36Å; S237-Q240 PolarHBondContact OG-N 3.08Å; S237-Q240 PolarHBondContact OG-OE1 3.19Å; S237-K241 WeakPolarHBondContact O-CG 3.46Å; S237-K241 PolarHBondContact O-N 3.27Å
238M92.2Very high85.4Confident120 Ų12064.7 Ų64.759%0.59134%0.34SS*.Hα-helixtrans-59-34.2177.5-69.4-59.7-69.700112.5K241 H242M238-K241 HydrophobicContact SD-CD 4.24Å; M238-H242 PolarHBondContact O-N 2.91Å; M238-H242 PolarHBondContact O-ND1 3.3Å
239K91.9Very high85.3Confident100 Ų10067.8 Ų67.844%0.43536%0.364SS..Hα-helixtrans-65.3-44.2175.8-66.7-176.6175.2-179.90111.8S209 S237 H242 W243S209-K239 WeakPolarHBondContact OG-CD 3.49Å; S209-K239 PolarHBondContact OG-NZ 3.17Å; S237-K239 PolarHBondContact O-N 3.25Å; K239-H242 PolarHBondContact O-N 3.04Å; K239-W243 PolarHBondContact O-N 3.28Å
240Q90.3Very high85.2Confident29 Ų2972 Ų7214%0.13638%0.379CS..Hα-helixtrans-61.4-45.8176.1-77.5154.4-23.600111.7G210 E228 L236 S237 H242 W243 L244G210-Q240 VanDerWaalsContact O-CA 3.31Å; G210-Q240 WeakPolarHBondContact O-CA 3.39Å; E228-Q240 WeakPolarHBondContact OE1-CG 3.15Å; E228-Q240 PolarHBondContact OE1-NE2 2.83Å; E228-Q240 PolarHBondContact OE1-OE1 3.43Å; L236-Q240 HydrophobicContact CD2-CB 4.21Å; S237-Q240 PolarHBondContact O-N 2.87Å; S237-Q240 VanDerWaalsContact O-N 3.12Å; S237-Q240 VanDerWaalsContact OG-CD 3.24Å; S237-Q240 WeakPolarHBondContact OG-CG 3.36Å; S237-Q240 PolarHBondContact OG-N 3.08Å; S237-Q240 PolarHBondContact OG-OE1 3.19Å; Q240-H242 PolarHBondContact O-N 2.86Å; Q240-W243 PolarHBondContact O-N 3.02Å; Q240-W243 VanDerWaalsContact O-N 3.14Å; Q240-L244 WeakPolarHBondContact O-CB 3.44Å; Q240-L244 WeakPolarHBondContact O-CG 3.34Å; Q240-L244 PolarHBondContact O-N 3.4Å
241K89.8Confident84.8Confident84 Ų8471.2 Ų71.237%0.36538%0.377SS..Hα-helixtrans-56.5-50.4175-66.7-178-178.2-175.60111.8L236 S237 M238 W243 L244 E245L236-K241 HydrophobicContact CB-CD 4.41Å; L236-K241 HydrophobicContact CB-CG 3.7Å; L236-K241 HydrophobicContact CD1-CG 4.19Å; S237-K241 WeakPolarHBondContact O-CG 3.46Å; S237-K241 PolarHBondContact O-N 3.27Å; M238-K241 HydrophobicContact SD-CD 4.24Å; K241-W243 PolarHBondContact O-N 3.45Å; K241-L244 PolarHBondContact O-N 2.74Å; K241-E245 WeakPolarHBondContact O-CB 3.49Å; K241-E245 VanDerWaalsContact O-CG 3.3Å; K241-E245 WeakPolarHBondContact O-CG 3.42Å; K241-E245 PolarHBondContact O-N 3.36Å
242H91.6Very high83.8Confident63 Ų6378.3 Ų78.329%0.29241%0.408SS..Hα-helixtrans-62.8-28.4178.8-67.2162.1000113.6R199 M238 K239 Q240 E245 Y246R199-H242 PolarHBondContact NH1-O 3.38Å; R199-H242 PolarHBondContact NH2-O 3.02Å; M238-H242 PolarHBondContact O-N 2.91Å; M238-H242 PolarHBondContact O-ND1 3.3Å; K239-H242 PolarHBondContact O-N 3.04Å; Q240-H242 PolarHBondContact O-N 2.86Å; H242-E245 IonicContact CD2-OE2 3.9Å; H242-Y246 WeakPolarHBondContact O-CB 3.42Å; H242-Y246 PolarHBondContact O-N 3.12Å
243W91.5Very high82.6Confident3 Ų375.9 Ų75.91%0.01140%0.399CS..Hα-helixtrans-76.5-45.9173.1-92.7119.6000112.2I196 R199 L200 H207 S209 G210 M211 K239 Q240 K241 Y246 L247I196-W243 HydrophobicContact CG2-CH2 4.11Å; I196-W243 HydrophobicContact CG2-CZ3 4.3Å; R199-W243 HydrophobicContact CB-CH2 4.07Å; R199-W243 HydrophobicContact CG-CH2 4.04Å; R199-W243 HydrophobicContact CG-CZ2 4.36Å; R199-W243 VanDerWaalsContact NH1-CD2 3.26Å; L200-W243 HydrophobicContact CD2-CZ2 4.24Å; H207-W243 HydrophobicContact CB-CZ2 3.86Å; H207-W243 WeakPolarHBondContact O-CZ2 3.17Å; H207-W243 PolarHBondContact O-NE1 3.25Å; S209-W243 PolarHBondContact O-NE1 3Å; G210-W243 VanDerWaalsContact C-CD1 3.45Å; G210-W243 WeakPolarHBondContact O-CB 3.44Å; M211-W243 HydrophobicContact CE-CD2 3.98Å; M211-W243 VanDerWaalsContact CE-CE2 3.44Å; M211-W243 HydrophobicContact CE-CE3 4.09Å; M211-W243 HydrophobicContact CE-CH2 3.2Å; M211-W243 HydrophobicContact CE-CZ2 3.03Å; M211-W243 HydrophobicContact CE-CZ3 3.74Å; M211-W243 HydrophobicContact CG-CD2 4.42Å; M211-W243 HydrophobicContact SD-CD2 3.35Å; M211-W243 HydrophobicContact SD-CE3 3.57Å; M211-W243 VanDerWaalsContact SD-CE3 3.57Å; M211-W243 HydrophobicContact SD-CG 3.93Å; M211-W243 HydrophobicContact SD-CH2 3.86Å; M211-W243 HydrophobicContact SD-CZ2 3.65Å; M211-W243 HydrophobicContact SD-CZ3 3.82Å; K239-W243 PolarHBondContact O-N 3.28Å; Q240-W243 PolarHBondContact O-N 3.02Å; Q240-W243 VanDerWaalsContact O-N 3.14Å; K241-W243 PolarHBondContact O-N 3.45Å; W243-Y246 HydrophobicContact CE3-CD1 4.14Å; W243-Y246 AromaticContact CZ3-CD1 3.81Å; W243-Y246 HydrophobicContact CZ3-CD1 3.81Å; W243-Y246 HydrophobicContact CZ3-CE1 4.21Å; W243-Y246 PolarHBondContact O-N 3.1Å; W243-L247 HydrophobicContact CE3-CD1 4.42Å; W243-L247 HydrophobicContact CE3-CG 4.28Å; W243-L247 WeakPolarHBondContact O-CB 3.45Å; W243-L247 VanDerWaalsContact O-CG 3.28Å; W243-L247 WeakPolarHBondContact O-CG 3.38Å; W243-L247 PolarHBondContact O-N 3.17Å
244L88.1Confident81.1Confident27 Ų2774.4 Ų74.414%0.14137%0.374CS..Hα-helixtrans-60.8-46.6177.1-69.4171.8000111.6P212 E228 L236 Q240 K241 Y246 L247 C248P212-L244 HydrophobicContact CG-CD2 3.89Å; E228-L244 HydrophobicContact CB-CD1 4.07Å; E228-L244 HydrophobicContact CB-CD2 4.29Å; E228-L244 HydrophobicContact CG-CD1 4.26Å; L236-L244 HydrophobicContact CD1-CD1 4.04Å; L236-L244 HydrophobicContact CD2-CD1 3.86Å; Q240-L244 WeakPolarHBondContact O-CB 3.44Å; Q240-L244 WeakPolarHBondContact O-CG 3.34Å; Q240-L244 PolarHBondContact O-N 3.4Å; K241-L244 PolarHBondContact O-N 2.74Å; L244-Y246 VanDerWaalsContact C-N 3.33Å; L244-Y246 PolarHBondContact O-N 3.02Å; L244-L247 PolarHBondContact O-N 2.72Å; L244-C248 VanDerWaalsContact O-CB 3.22Å; L244-C248 WeakPolarHBondContact O-CB 3.35Å; L244-C248 PolarHBondContact O-N 2.84Å; L244-C248 PolarHBondContact O-SG 2.96Å; L244-C248 VanDerWaalsContact O-SG 3.38Å
245E88Confident79.3Confident122 Ų12272.4 Ų72.457%0.5737%0.365SS*.Hα-helixtrans-59.4-42.8175.1-72.3167.7-174.200112K241 H242 C248 S249K241-E245 WeakPolarHBondContact O-CB 3.49Å; K241-E245 VanDerWaalsContact O-CG 3.3Å; K241-E245 WeakPolarHBondContact O-CG 3.42Å; K241-E245 PolarHBondContact O-N 3.36Å; H242-E245 IonicContact CD2-OE2 3.9Å; E245-C248 PolarHBondContact O-N 2.99Å; E245-S249 WeakPolarHBondContact O-CB 3.46Å; E245-S249 PolarHBondContact O-N 3.18Å; E245-S249 PolarHBondContact O-OG 3.11Å
246Y90.3Very high77.1Confident32 Ų3269 Ų6913%0.12536%0.359CS..Hα-helixtrans-65.9-41.1179.3-176.9-89.7000112.5K195 H242 W243 L244 S249 R250K195-Y246 PolarHBondContact O-OH 3.26Å; H242-Y246 WeakPolarHBondContact O-CB 3.42Å; H242-Y246 PolarHBondContact O-N 3.12Å; W243-Y246 HydrophobicContact CE3-CD1 4.14Å; W243-Y246 AromaticContact CZ3-CD1 3.81Å; W243-Y246 HydrophobicContact CZ3-CD1 3.81Å; W243-Y246 HydrophobicContact CZ3-CE1 4.21Å; W243-Y246 PolarHBondContact O-N 3.1Å; L244-Y246 VanDerWaalsContact C-N 3.33Å; L244-Y246 PolarHBondContact O-N 3.02Å; Y246-S249 PolarHBondContact O-OG 3.18Å; Y246-R250 VanDerWaalsContact CD2-NH1 3.29Å; Y246-R250 VanDerWaalsContact CE2-NH1 3.33Å; Y246-R250 VanDerWaalsContact CE2-NH2 3.3Å; Y246-R250 WeakPolarHBondContact O-CD 3.48Å; Y246-R250 PolarHBondContact O-NH1 3.22Å; Y246-R250 PolarHBondContact OH-NE 3.44Å; Y246-R250 VanDerWaalsContact OH-NE 3.14Å
247L88Confident74.8Confident1 Ų170 Ų701%0.00536%0.364CS..Hα-helixtrans-72.3-41.3176.6-67.8171.5000110.5I196 P212 V226 W243 L244 S249 R250 L251 L254I196-L247 HydrophobicContact CD1-CD2 3.8Å; I196-L247 HydrophobicContact CG1-CD2 4.05Å; P212-L247 HydrophobicContact CG-CD1 3.96Å; V226-L247 HydrophobicContact CG2-CD1 3.93Å; W243-L247 HydrophobicContact CE3-CD1 4.42Å; W243-L247 HydrophobicContact CE3-CG 4.28Å; W243-L247 WeakPolarHBondContact O-CB 3.45Å; W243-L247 VanDerWaalsContact O-CG 3.28Å; W243-L247 WeakPolarHBondContact O-CG 3.38Å; W243-L247 PolarHBondContact O-N 3.17Å; L244-L247 PolarHBondContact O-N 2.72Å; L247-S249 VanDerWaalsContact C-N 3.32Å; L247-S249 PolarHBondContact O-N 2.84Å; L247-R250 PolarHBondContact O-N 3.49Å; L247-R250 VanDerWaalsContact O-N 3.07Å; L247-L251 HydrophobicContact CB-CD1 3.9Å; L247-L251 WeakPolarHBondContact O-CB 3.48Å; L247-L251 VanDerWaalsContact O-CG 3.23Å; L247-L251 WeakPolarHBondContact O-CG 3.33Å; L247-L251 PolarHBondContact O-N 3.27Å; L247-L254 HydrophobicContact CB-CD1 3.89Å
248C81.8Confident72.1Confident63 Ų6374.9 Ų74.943%0.42639%0.387SS..Hα-helixtrans-57.3-45176.5-87.70000111.2L244 E245 R250 L254L244-C248 VanDerWaalsContact O-CB 3.22Å; L244-C248 WeakPolarHBondContact O-CB 3.35Å; L244-C248 PolarHBondContact O-N 2.84Å; L244-C248 PolarHBondContact O-SG 2.96Å; L244-C248 VanDerWaalsContact O-SG 3.38Å; E245-C248 PolarHBondContact O-N 2.99Å; C248-R250 PolarHBondContact O-N 3.33Å; C248-L254 HydrophobicContact CB-CD1 3.99Å; C248-L254 VanDerWaalsContact N-CD1 3.32Å; C248-L254 WeakPolarHBondContact SG-CD1 3.29Å
249S80.9Confident69.4Low86 Ų8673.4 Ų73.460%0.60138%0.377SS*.THydrogen-bonded Turntrans-69.1-11.2-179.454.10000114.2E245 Y246 L247E245-S249 WeakPolarHBondContact O-CB 3.46Å; E245-S249 PolarHBondContact O-N 3.18Å; E245-S249 PolarHBondContact O-OG 3.11Å; Y246-S249 PolarHBondContact O-OG 3.18Å; L247-S249 VanDerWaalsContact C-N 3.32Å; L247-S249 PolarHBondContact O-N 2.84Å
250R78Confident66.2Low99 Ų9979.6 Ų79.637%0.37440%0.398SS..THydrogen-bonded Turntrans-119.8-18.6-176.7-71.1167175.768.54.8113.7L192 K195 Y246 L247 C248L192-R250 HydrophobicContact CD1-CB 3.81Å; K195-R250 HydrophobicContact CD-CG 4.21Å; Y246-R250 VanDerWaalsContact CD2-NH1 3.29Å; Y246-R250 VanDerWaalsContact CE2-NH1 3.33Å; Y246-R250 VanDerWaalsContact CE2-NH2 3.3Å; Y246-R250 WeakPolarHBondContact O-CD 3.48Å; Y246-R250 PolarHBondContact O-NH1 3.22Å; Y246-R250 PolarHBondContact OH-NE 3.44Å; Y246-R250 VanDerWaalsContact OH-NE 3.14Å; L247-R250 PolarHBondContact O-N 3.49Å; L247-R250 VanDerWaalsContact O-N 3.07Å; C248-R250 PolarHBondContact O-N 3.33Å
251L67.7Low63.4Low27 Ų2781.8 Ų81.814%0.14141%0.41CS..  trans-97.5125.9176.9-69.8170.9000109.3L192 F224 V226 L247 A253 L254L192-L251 HydrophobicContact CD2-CD2 3.35Å; L192-L251 HydrophobicContact CD2-CG 4.06Å; F224-L251 HydrophobicContact CE1-CD2 4.22Å; F224-L251 HydrophobicContact CE2-CD1 4.36Å; F224-L251 HydrophobicContact CE2-CD2 3.92Å; F224-L251 HydrophobicContact CZ-CD2 3.42Å; F224-L251 VanDerWaalsContact CZ-CD2 3.42Å; V226-L251 HydrophobicContact CG2-CD1 4.42Å; L247-L251 HydrophobicContact CB-CD1 3.9Å; L247-L251 WeakPolarHBondContact O-CB 3.48Å; L247-L251 VanDerWaalsContact O-CG 3.23Å; L247-L251 WeakPolarHBondContact O-CG 3.33Å; L247-L251 PolarHBondContact O-N 3.27Å; L251-A253 PolarHBondContact O-N 3.5Å; L251-A253 VanDerWaalsContact O-N 3.09Å; L251-L254 HydrophobicContact CB-CG 4.19Å; L251-L254 HydrophobicContact CD1-CD1 4.08Å; L251-L254 HydrophobicContact CD1-CD2 3.55Å; L251-L254 HydrophobicContact CD1-CG 3.75Å
252L52.4Low60.3Low192 Ų19282.6 Ų82.6100%1.00543%0.426SS*.SBendtrans-67.9-1.6169.4-73.9167000113.2
253A45.2Very low57.3Low55 Ų5585.8 Ų85.846%0.45545%0.445SS..  trans-149.394.6177.300000112.1L251L251-A253 PolarHBondContact O-N 3.5Å; L251-A253 VanDerWaalsContact O-N 3.09Å
254L47.8Very low54.2Low41 Ų4192.3 Ų92.322%0.21548%0.48CS..  trans-112.3143.1154.5-77-167000110.4V226 L247 C248 L251V226-L254 HydrophobicContact CG2-CD1 4.22Å; V226-L254 HydrophobicContact CG2-CD2 3.41Å; V226-L254 VanDerWaalsContact CG2-CD2 3.41Å; L247-L254 HydrophobicContact CB-CD1 3.89Å; C248-L254 HydrophobicContact CB-CD1 3.99Å; C248-L254 VanDerWaalsContact N-CD1 3.32Å; C248-L254 WeakPolarHBondContact SG-CD1 3.29Å; L251-L254 HydrophobicContact CB-CG 4.19Å; L251-L254 HydrophobicContact CD1-CD1 4.08Å; L251-L254 HydrophobicContact CD1-CD2 3.55Å; L251-L254 HydrophobicContact CD1-CG 3.75Å
255T46Very low51.2Low60 Ų6099.1 Ų99.137%0.36851%0.511SS..  trans-117.7102.5169.2-29.60000105.1K225 L257K225-T255 WeakPolarHBondContact CE-OG1 3.47Å; K225-T255 PolarHBondContact NZ-OG1 3.16Å; T255-L257 HydrophobicContact CG2-CD1 4.19Å; T255-L257 HydrophobicContact CG2-CG 4.39Å; T255-L257 PolarHBondContact O-N 3.22Å
256E40.1Very low48.3Very low153 Ų15399.7 Ų99.772%0.71553%0.525SS*.  trans-69.8125.1162.8-169173.5-173.900106.6
257L39.5Very low45.2Very low63 Ų63101.8 Ų101.833%0.3356%0.556SS.*  trans-12495.2180-102.5159.1000107.8Y70 T255 F259Y70-L257 VanDerWaalsContact OH-CD1 3.29Å; Y70-L257 WeakPolarHBondContact OH-CD1 3.14Å; T255-L257 HydrophobicContact CG2-CD1 4.19Å; T255-L257 HydrophobicContact CG2-CG 4.39Å; T255-L257 PolarHBondContact O-N 3.22Å; L257-F259 HydrophobicContact CB-CD2 3.74Å; L257-F259 HydrophobicContact CB-CE2 3.49Å; L257-F259 VanDerWaalsContact CB-CE2 3.49Å; L257-F259 HydrophobicContact CB-CZ 4.32Å; L257-F259 HydrophobicContact CD1-CE2 3.67Å; L257-F259 HydrophobicContact CD1-CZ 3.95Å; L257-F259 HydrophobicContact CD2-CD1 4.35Å; L257-F259 HydrophobicContact CD2-CD2 3.86Å; L257-F259 HydrophobicContact CD2-CE1 3.72Å; L257-F259 HydrophobicContact CD2-CE2 3.19Å; L257-F259 HydrophobicContact CD2-CG 4.42Å; L257-F259 HydrophobicContact CD2-CZ 3.1Å; L257-F259 HydrophobicContact CG-CD2 4.26Å; L257-F259 HydrophobicContact CG-CE2 3.56Å; L257-F259 HydrophobicContact CG-CZ 3.93Å; L257-F259 PolarHBondContact O-N 2.88Å
258D32Very low42.4Very low153 Ų153107.5 Ų107.582%0.81859%0.591SS**  trans-75.1115.3163.5-162.58.8000107.4
259F36.4Very low39.6Very low88 Ų88110.3 Ų110.339%0.38661%0.607SS.*  trans-117.9109.2-179.9-82.4-69000110.1L257 L261L257-F259 HydrophobicContact CB-CD2 3.74Å; L257-F259 HydrophobicContact CB-CE2 3.49Å; L257-F259 VanDerWaalsContact CB-CE2 3.49Å; L257-F259 HydrophobicContact CB-CZ 4.32Å; L257-F259 HydrophobicContact CD1-CE2 3.67Å; L257-F259 HydrophobicContact CD1-CZ 3.95Å; L257-F259 HydrophobicContact CD2-CD1 4.35Å; L257-F259 HydrophobicContact CD2-CD2 3.86Å; L257-F259 HydrophobicContact CD2-CE1 3.72Å; L257-F259 HydrophobicContact CD2-CE2 3.19Å; L257-F259 HydrophobicContact CD2-CG 4.42Å; L257-F259 HydrophobicContact CD2-CZ 3.1Å; L257-F259 HydrophobicContact CG-CD2 4.26Å; L257-F259 HydrophobicContact CG-CE2 3.56Å; L257-F259 HydrophobicContact CG-CZ 3.93Å; L257-F259 PolarHBondContact O-N 2.88Å; F259-L261 PolarHBondContact O-N 3.07Å; F259-L261 VanDerWaalsContact O-N 3.11Å
260R25.2Very low37.1Very low231 Ų231117.4 Ų117.487%0.87262%0.62SS**  trans-67.297.1153.3-69.5-179.3178.9179.3-0.5107.8S262R260-S262 VanDerWaalsContact C-N 3.27Å; R260-S262 PolarHBondContact O-N 3.06Å
261L31.6Very low34.5Very low74 Ų74118.8 Ų118.839%0.38764%0.64SS.*  trans-69.294156.3-82163.6000106.5I62 V232 F259 L263I62-L261 HydrophobicContact CD1-CD1 3.6Å; I62-L261 HydrophobicContact CG1-CD1 4.09Å; V232-L261 HydrophobicContact CG2-CB 4.11Å; F259-L261 PolarHBondContact O-N 3.07Å; F259-L261 VanDerWaalsContact O-N 3.11Å; L261-L263 PolarHBondContact O-N 3.3Å
262S24.9Very low32.6Very low102 Ų102125.3 Ų125.371%0.71368%0.675SS**  trans-7184.5159.164.90000107.2R260 D264R260-S262 VanDerWaalsContact C-N 3.27Å; R260-S262 PolarHBondContact O-N 3.06Å; S262-D264 PolarHBondContact O-N 3.03Å
263L27.5Very low31.5Very low130 Ų130121.4 Ų121.468%0.68166%0.664SS**  trans-70.874155.4-70.9166.1000106.4L261L261-L263 PolarHBondContact O-N 3.3Å
264D26.3Very low30.7Very low140 Ų140129 Ų12975%0.74971%0.705SS**  trans169.8122.5159.2-90.1-21.4000107.7S262S262-D264 PolarHBondContact O-N 3.03Å
265Q26.2Very low29.8Very low169 Ų169133.4 Ų133.479%0.7973%0.729SS**  trans128.1102.4166.3-65.7-81.4-29.600111.4G267Q265-G267 PolarHBondContact O-N 3.43Å
266P26Very low29Very low135 Ų135137.3 Ų137.388%0.87775%0.748SS**SBendtrans-72.2119.216928.5-27.7000109.3
267G26.4Very low28.4Very low75 Ų75136.4 Ų136.477%0.77375%0.75SS**  trans134.736.3164.100000119.2Q265Q265-G267 PolarHBondContact O-N 3.43Å
268V27.9Very low27.7Very low121 Ų121140.7 Ų140.773%0.73378%0.775SS**  trans-106.4111.3172.3-174.50000111.2
269T23.7Very low27.4Very low123 Ų123139.9 Ų139.976%0.75577%0.772SS**  trans-76.6128.5169.243.60000110.7
270W27.4Very low26.8Very low235 Ų235143.4 Ų143.489%0.8980%0.798SS**  trans-79.6116.7169.8-65.391.5000109.8
271T24.9Very low27Very low128 Ų128137.1 Ų137.179%0.78579%0.792SS**  trans-95.1114.9162.851.20000108.2S273T271-S273 PolarHBondContact O-N 3.18Å
272D27.6Very low26.6Very low164 Ų164142 Ų14288%0.87782%0.823SS**  trans-71115.1169.8-71.5-30.3000109
273S28.3Very low26.8Very low110 Ų110145.3 Ų145.377%0.76983%0.833SS**  trans-82.4113.4161.753.40000108.6T271T271-S273 PolarHBondContact O-N 3.18Å
274T28.9Very low26.7Very low214 Ų214146.7 Ų146.7100%1.31385%0.846SS**  trans12.60160.439.40000119.2

Retrieved 274 of 274 residues in 190.2 ms (Link to these results)

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