A0A077ZER9_TRITR Loading...

26S proteasome non-ATPase regulatory subunit 8

AlphaFold DB , UniProt , Accession A0A077ZER9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 272 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
1M57.6Low72.9Confident84 Ų8475.8 Ų75.841%0.41437%0.369SS..  0-490-78-154.3-89.200114.3Q3 V4 K5 E50 M54M1-Q3 PolarHBondContact O-N 3.03Å; M1-V4 PolarHBondContact O-N 3.42Å; M1-K5 PolarHBondContact O-N 3.13Å; M1-K5 VanDerWaalsContact O-N 3.11Å; M1-E50 HydrophobicContact CE-CB 3.95Å; M1-E50 HydrophobicContact CE-CG 4.14Å; M1-E50 WeakPolarHBondContact CE-OE2 3.4Å; M1-E50 HydrophobicContact SD-CB 4.1Å; M1-M54 HydrophobicContact CG-SD 3.92Å; M1-M54 HydrophobicContact SD-CE 4.48Å; M1-M54 HydrophobicContact SD-CG 4.42Å; M1-M54 HydrophobicContact SD-SD 4.17Å
2E70Confident73.2Confident167 Ų16773.2 Ų73.278%0.7836%0.358SS*.Hα-helixtrans-59.2-42.3-177.9-67.9-173.5160.500113.6V4 K5 V6E2-V4 VanDerWaalsContact C-N 3.33Å; E2-V4 PolarHBondContact O-N 3.17Å; E2-K5 PolarHBondContact O-N 2.94Å; E2-V6 WeakPolarHBondContact O-CG2 3.5Å; E2-V6 PolarHBondContact O-N 2.94Å
3Q72.4Confident73.4Confident147 Ų14771.5 Ų71.569%0.68736%0.358SS*.Hα-helixtrans-59.3-42177.2-69.2178.2-14.400112.4M1 V6 L7M1-Q3 PolarHBondContact O-N 3.03Å; Q3-V6 PolarHBondContact O-N 3.48Å; Q3-L7 WeakPolarHBondContact O-CG 2.99Å; Q3-L7 PolarHBondContact O-N 3.07Å
4V69.7Low73.5Confident7 Ų769.2 Ų69.24%0.04235%0.346CS..Hα-helixtrans-65.1-43.5178-179.90000110.6M1 E2 V6 L7 Y8 C35 F36M1-V4 PolarHBondContact O-N 3.42Å; E2-V4 VanDerWaalsContact C-N 3.33Å; E2-V4 PolarHBondContact O-N 3.17Å; V4-V6 VanDerWaalsContact C-N 3.34Å; V4-V6 PolarHBondContact O-N 3.14Å; V4-L7 PolarHBondContact O-N 3.13Å; V4-Y8 WeakPolarHBondContact O-CB 3.38Å; V4-Y8 PolarHBondContact O-N 2.92Å; V4-C35 HydrophobicContact CG2-CB 4.09Å; V4-F36 HydrophobicContact CG1-CE1 4.1Å; V4-F36 HydrophobicContact CG1-CE2 4.46Å; V4-F36 HydrophobicContact CG1-CZ 3.8Å
5K74.4Confident73.4Confident89 Ų8966.4 Ų66.439%0.38733%0.329SS..Hα-helixtrans-63.9-38.4176.6-69.2-174.6177.6-174.80111.9M1 E2 N9 M57M1-K5 PolarHBondContact O-N 3.13Å; M1-K5 VanDerWaalsContact O-N 3.11Å; E2-K5 PolarHBondContact O-N 2.94Å; K5-N9 WeakPolarHBondContact O-CB 3.39Å; K5-N9 PolarHBondContact O-N 3.18Å; K5-N9 PolarHBondContact O-ND2 2.92Å; K5-N9 VanDerWaalsContact O-ND2 3.13Å; K5-M57 HydrophobicContact CG-CE 4.25Å; K5-M57 HydrophobicContact CG-SD 4.12Å
6V77.3Confident73.5Confident79 Ų7969.9 Ų69.948%0.47935%0.35SS..Hα-helixtrans-65.4-48175.61730000111.2E2 Q3 V4 Y8 N9 Q10E2-V6 WeakPolarHBondContact O-CG2 3.5Å; E2-V6 PolarHBondContact O-N 2.94Å; Q3-V6 PolarHBondContact O-N 3.48Å; V4-V6 VanDerWaalsContact C-N 3.34Å; V4-V6 PolarHBondContact O-N 3.14Å; V6-Y8 VanDerWaalsContact C-N 3.33Å; V6-Y8 PolarHBondContact O-N 3.07Å; V6-N9 PolarHBondContact O-N 3.29Å; V6-Q10 WeakPolarHBondContact O-CG 3.41Å; V6-Q10 PolarHBondContact O-N 3Å
7L74.6Confident73.6Confident32 Ų3271.4 Ų71.417%0.16835%0.353CS..Hα-helixtrans-64.3-38.4177.7-69.5173.8000111.9Q3 V4 Q10 L11 I32Q3-L7 WeakPolarHBondContact O-CG 2.99Å; Q3-L7 PolarHBondContact O-N 3.07Å; V4-L7 PolarHBondContact O-N 3.13Å; L7-Q10 WeakPolarHBondContact O-CB 3.46Å; L7-Q10 PolarHBondContact O-N 3.21Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 PolarHBondContact O-N 3.35Å; L7-I32 HydrophobicContact CB-CD1 4Å; L7-I32 HydrophobicContact CB-CG1 3.59Å; L7-I32 HydrophobicContact CD1-CG1 4.07Å; L7-I32 HydrophobicContact CG-CG1 4.42Å
8Y76.4Confident72.7Confident41 Ų4176.9 Ų76.916%0.16139%0.385CS..Hα-helixtrans-63.9-43175.2-179.5-104.9000111.9V4 V6 Q10 L11 L12 M57 H60 V61V4-Y8 WeakPolarHBondContact O-CB 3.38Å; V4-Y8 PolarHBondContact O-N 2.92Å; V6-Y8 VanDerWaalsContact C-N 3.33Å; V6-Y8 PolarHBondContact O-N 3.07Å; Y8-Q10 VanDerWaalsContact C-N 3.32Å; Y8-Q10 PolarHBondContact O-N 2.9Å; Y8-L11 WeakPolarHBondContact O-CB 2.99Å; Y8-L11 PolarHBondContact O-N 3.11Å; Y8-L12 HydrophobicContact CD1-CD1 3.82Å; Y8-L12 HydrophobicContact CD1-CG 4.36Å; Y8-L12 HydrophobicContact CE1-CD1 3.4Å; Y8-L12 VanDerWaalsContact CE1-CD1 3.4Å; Y8-L12 HydrophobicContact CE1-CG 4.04Å; Y8-L12 WeakPolarHBondContact O-CG 3.22Å; Y8-L12 PolarHBondContact O-N 2.81Å; Y8-M57 HydrophobicContact CD1-CG 4.31Å; Y8-M57 HydrophobicContact CD1-SD 4.28Å; Y8-M57 HydrophobicContact CD2-CB 4.45Å; Y8-M57 HydrophobicContact CD2-CG 4.36Å; Y8-M57 HydrophobicContact CE1-CG 4.25Å; Y8-M57 HydrophobicContact CE2-CB 4.46Å; Y8-M57 HydrophobicContact CE2-CG 4.33Å; Y8-M57 HydrophobicContact CG-CG 4.35Å; Y8-M57 HydrophobicContact CG-SD 4.34Å; Y8-H60 HydrophobicContact CE2-CB 4.17Å; Y8-H60 AromaticContact CE2-ND1 3.47Å; Y8-H60 WeakPolarHBondContact CE2-ND1 3.41Å; Y8-H60 AromaticContact CZ-ND1 3.48Å; Y8-H60 PolarHBondContact OH-ND1 3.5Å; Y8-V61 HydrophobicContact CD2-CG2 3.75Å; Y8-V61 HydrophobicContact CE2-CG2 4.12Å
9N76.7Confident72.1Confident97 Ų9782.6 Ų82.652%0.51941%0.407SS..Hα-helixtrans-65.1-36.4174.2-72.1-27.3000112K5 V6 L12 S13K5-N9 WeakPolarHBondContact O-CB 3.39Å; K5-N9 PolarHBondContact O-N 3.18Å; K5-N9 PolarHBondContact O-ND2 2.92Å; K5-N9 VanDerWaalsContact O-ND2 3.13Å; V6-N9 PolarHBondContact O-N 3.29Å; N9-L12 PolarHBondContact O-N 3.37Å; N9-S13 WeakPolarHBondContact O-CB 3.31Å; N9-S13 PolarHBondContact O-N 3.3Å
10Q76.9Confident71.8Confident91 Ų9181.6 Ų81.643%0.42540%0.4SS..Hα-helixtrans-62-46.3171.5-72.6174.9-4.300110.8V6 L7 Y8 L12 S13 E14V6-Q10 WeakPolarHBondContact O-CG 3.41Å; V6-Q10 PolarHBondContact O-N 3Å; L7-Q10 WeakPolarHBondContact O-CB 3.46Å; L7-Q10 PolarHBondContact O-N 3.21Å; Y8-Q10 VanDerWaalsContact C-N 3.32Å; Y8-Q10 PolarHBondContact O-N 2.9Å; Q10-L12 PolarHBondContact O-N 2.78Å; Q10-S13 WeakPolarHBondContact O-CB 3.48Å; Q10-S13 PolarHBondContact O-N 3.31Å; Q10-S13 VanDerWaalsContact O-N 3.12Å; Q10-S13 PolarHBondContact O-OG 3.36Å; Q10-E14 WeakPolarHBondContact O-CG 3.39Å; Q10-E14 PolarHBondContact O-N 3.25Å
11L75.9Confident71.9Confident0 Ų081.2 Ų81.20%040%0.4CS..Hα-helixtrans-61-43.4177.2-177.7144.2000112.2L7 Y8 S13 E14 W15 V28 V29 I32 V61 I64L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 PolarHBondContact O-N 3.35Å; Y8-L11 WeakPolarHBondContact O-CB 2.99Å; Y8-L11 PolarHBondContact O-N 3.11Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.2Å; L11-E14 PolarHBondContact O-N 2.96Å; L11-W15 WeakPolarHBondContact O-CB 3.32Å; L11-W15 PolarHBondContact O-N 2.81Å; L11-V28 HydrophobicContact CB-CG1 4.05Å; L11-V28 HydrophobicContact CD1-CG1 4.35Å; L11-V29 HydrophobicContact CD1-CG2 3.51Å; L11-I32 HydrophobicContact CB-CD1 4.21Å; L11-I32 HydrophobicContact CD1-CD1 3.78Å; L11-V61 HydrophobicContact CD1-CG1 4.4Å; L11-I64 HydrophobicContact CD2-CB 4.33Å; L11-I64 HydrophobicContact CD2-CD1 3.34Å; L11-I64 HydrophobicContact CD2-CG1 4.4Å; L11-I64 HydrophobicContact CD2-CG2 4.11Å
12L76.6Confident72.7Confident44 Ų4480.5 Ų80.523%0.2339%0.394CS..Hα-helixtrans-61-40.8173.2-74.3175.4000112Y8 N9 Q10 E14 W15 N16Y8-L12 HydrophobicContact CD1-CD1 3.82Å; Y8-L12 HydrophobicContact CD1-CG 4.36Å; Y8-L12 HydrophobicContact CE1-CD1 3.4Å; Y8-L12 VanDerWaalsContact CE1-CD1 3.4Å; Y8-L12 HydrophobicContact CE1-CG 4.04Å; Y8-L12 WeakPolarHBondContact O-CG 3.22Å; Y8-L12 PolarHBondContact O-N 2.81Å; N9-L12 PolarHBondContact O-N 3.37Å; Q10-L12 PolarHBondContact O-N 2.78Å; L12-E14 VanDerWaalsContact C-N 3.35Å; L12-W15 PolarHBondContact O-N 3.48Å; L12-N16 WeakPolarHBondContact O-CB 3.47Å; L12-N16 VanDerWaalsContact O-CG 3.29Å; L12-N16 PolarHBondContact O-N 3.32Å; L12-N16 PolarHBondContact O-ND2 2.94Å
13S76.1Confident73Confident52 Ų5278.9 Ų78.936%0.36439%0.391SS..Hα-helixtrans-66.8-36.417880.40000112.3N9 Q10 L11 K17N9-S13 WeakPolarHBondContact O-CB 3.31Å; N9-S13 PolarHBondContact O-N 3.3Å; Q10-S13 WeakPolarHBondContact O-CB 3.48Å; Q10-S13 PolarHBondContact O-N 3.31Å; Q10-S13 VanDerWaalsContact O-N 3.12Å; Q10-S13 PolarHBondContact O-OG 3.36Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.2Å; S13-K17 WeakPolarHBondContact O-CG 3.41Å
14E73.8Confident73.2Confident39 Ų3977.2 Ų77.218%0.18238%0.381CS..Hα-helixtrans-74.2-36175.5-66.6-58.4151.400111.6Q10 L11 L12 K17 I25Q10-E14 WeakPolarHBondContact O-CG 3.39Å; Q10-E14 PolarHBondContact O-N 3.25Å; L11-E14 PolarHBondContact O-N 2.96Å; L12-E14 VanDerWaalsContact C-N 3.35Å; E14-K17 PolarHBondContact O-N 3.24Å; E14-K17 IonicContact OE1-NZ 2.85Å; E14-K17 PolarHBondContact OE1-NZ 3.46Å; E14-K17 WeakPolarHBondContact OE2-CD 3.43Å; E14-K17 IonicContact OE2-NZ 2.72Å; E14-K17 PolarHBondContact OE2-NZ 2.86Å; E14-I25 HydrophobicContact CB-CG1 4.06Å
15W72.7Confident73.6Confident27 Ų2777 Ų7710%0.10238%0.38CS..Hα-helixtrans-67.1-36.5178.6-174.5-110000112.9L11 L12 K17 K20 I25 I64 L67 V68 Y174L11-W15 WeakPolarHBondContact O-CB 3.32Å; L11-W15 PolarHBondContact O-N 2.81Å; L12-W15 PolarHBondContact O-N 3.48Å; W15-K17 VanDerWaalsContact C-N 3.3Å; W15-K17 PolarHBondContact O-N 3.45Å; W15-K20 HydrophobicContact CE3-CD 4.26Å; W15-K20 HydrophobicContact CZ3-CD 4.13Å; W15-K20 WeakPolarHBondContact O-CE 3.41Å; W15-I25 HydrophobicContact CE3-CD1 4.24Å; W15-I64 HydrophobicContact CD2-CD1 4.48Å; W15-I64 HydrophobicContact CD2-CG1 4.35Å; W15-I64 HydrophobicContact CD2-CG2 4.06Å; W15-I64 HydrophobicContact CE3-CG2 3.67Å; W15-I64 HydrophobicContact CG-CD1 4.21Å; W15-I64 HydrophobicContact CZ3-CG2 3.98Å; W15-L67 HydrophobicContact CH2-CB 3.73Å; W15-L67 HydrophobicContact CH2-CD1 4.04Å; W15-L67 HydrophobicContact CZ2-CB 4.35Å; W15-L67 HydrophobicContact CZ2-CD1 3.79Å; W15-V68 HydrophobicContact CE3-CG2 4.31Å; W15-V68 HydrophobicContact CZ3-CG2 3.62Å; W15-Y174 VanDerWaalsContact CH2-OH 3.27Å; W15-Y174 WeakPolarHBondContact CH2-OH 3.44Å
16N74.2Confident73.8Confident122 Ų12274.5 Ų74.565%0.65237%0.371SS*.THydrogen-bonded Turntrans-79.8-6.6179.5-70.9-27.3000113.8L12L12-N16 WeakPolarHBondContact O-CB 3.47Å; L12-N16 VanDerWaalsContact O-CG 3.29Å; L12-N16 PolarHBondContact O-N 3.32Å; L12-N16 PolarHBondContact O-ND2 2.94Å
17K75.6Confident74Confident95 Ų9573.3 Ų73.341%0.41337%0.366SS..SBendtrans-74.5131.5174.1-75170.7-163.3174.40110.1S13 E14 W15 K19S13-K17 WeakPolarHBondContact O-CG 3.41Å; E14-K17 PolarHBondContact O-N 3.24Å; E14-K17 IonicContact OE1-NZ 2.85Å; E14-K17 PolarHBondContact OE1-NZ 3.46Å; E14-K17 WeakPolarHBondContact OE2-CD 3.43Å; E14-K17 IonicContact OE2-NZ 2.72Å; E14-K17 PolarHBondContact OE2-NZ 2.86Å; W15-K17 VanDerWaalsContact C-N 3.3Å; W15-K17 PolarHBondContact O-N 3.45Å; K17-K19 PolarHBondContact O-N 3.11Å; K17-K19 VanDerWaalsContact O-N 3.08Å
18D58.2Low74.3Confident172 Ų17272.8 Ų72.892%0.9236%0.364SS*.SBendtrans-57.8-24.8178.6-70.3-42.6000113.7
19K61.2Low74.5Confident184 Ų18470.9 Ų70.980%0.836%0.357SS*.SBendtrans-108.791.7171.8-69.4-175.6179.8-179.80109.6K17 D21K17-K19 PolarHBondContact O-N 3.11Å; K17-K19 VanDerWaalsContact O-N 3.08Å; K19-D21 PolarHBondContact O-N 3.38Å
20K66.4Low74.8Confident63 Ų6372.6 Ų72.627%0.27436%0.361SS..  trans-72.5108.3-179.4-60.2-176.3179.6-169.60110.5W15 F22 I25 Y174W15-K20 HydrophobicContact CE3-CD 4.26Å; W15-K20 HydrophobicContact CZ3-CD 4.13Å; W15-K20 WeakPolarHBondContact O-CE 3.41Å; K20-F22 HydrophobicContact CB-CD1 4.34Å; K20-F22 HydrophobicContact CB-CE1 3.91Å; K20-F22 HydrophobicContact CB-CZ 4.12Å; K20-F22 HydrophobicContact CD-CE1 4.33Å; K20-F22 PolarHBondContact O-N 3.37Å; K20-F22 VanDerWaalsContact O-N 3.16Å; K20-I25 HydrophobicContact CB-CD1 4.41Å; K20-Y174 PolarHBondContact NZ-OH 3.16Å
21D72.9Confident74.9Confident74 Ų7472.4 Ų72.440%0.39636%0.363SS..  trans-80.487.9169.4-78.5-22.1000109.3K19 N23 K24 I25K19-D21 PolarHBondContact O-N 3.38Å; D21-N23 VanDerWaalsContact C-N 3.27Å; D21-N23 PolarHBondContact O-N 3.2Å; D21-K24 HydrophobicContact CB-CB 4.14Å; D21-K24 HydrophobicContact CB-CD 3.85Å; D21-K24 HydrophobicContact CB-CG 4.07Å; D21-K24 PolarHBondContact O-N 2.93Å; D21-K24 WeakPolarHBondContact OD2-CE 3.49Å; D21-K24 IonicContact OD2-NZ 2.91Å; D21-K24 PolarHBondContact OD2-NZ 3.12Å; D21-I25 PolarHBondContact O-N 3.36Å
22F75.6Confident75.1Confident68 Ų6872.4 Ų72.430%0.29836%0.364SS..Hα-helixtrans-54.5-39-173.9-60.3-65.5000113.9K20 K24 I25 L26 V68 A71 C72K20-F22 HydrophobicContact CB-CD1 4.34Å; K20-F22 HydrophobicContact CB-CE1 3.91Å; K20-F22 HydrophobicContact CB-CZ 4.12Å; K20-F22 HydrophobicContact CD-CE1 4.33Å; K20-F22 PolarHBondContact O-N 3.37Å; K20-F22 VanDerWaalsContact O-N 3.16Å; F22-K24 VanDerWaalsContact C-N 3.33Å; F22-K24 PolarHBondContact O-N 3.48Å; F22-I25 PolarHBondContact O-N 3.46Å; F22-L26 WeakPolarHBondContact O-CG 3.32Å; F22-L26 PolarHBondContact O-N 3.05Å; F22-V68 HydrophobicContact CB-CG1 4.01Å; F22-V68 HydrophobicContact CD1-CB 4.44Å; F22-V68 HydrophobicContact CD1-CG1 3.9Å; F22-V68 HydrophobicContact CD1-CG2 4.3Å; F22-V68 HydrophobicContact CG-CG1 4.41Å; F22-A71 HydrophobicContact CD1-CB 3.98Å; F22-A71 HydrophobicContact CE1-CB 3.35Å; F22-A71 HydrophobicContact CE2-CB 4.22Å; F22-A71 HydrophobicContact CZ-CB 3.49Å; F22-A71 VanDerWaalsContact CZ-CB 3.49Å; F22-C72 VanDerWaalsContact CB-SG 3.5Å
23N76.4Confident75.3Confident133 Ų13372.4 Ų72.471%0.71136%0.362SS*.Hα-helixtrans-66.3-33.6180-66.3-20.7000113D21 S27D21-N23 VanDerWaalsContact C-N 3.27Å; D21-N23 PolarHBondContact O-N 3.2Å; N23-S27 PolarHBondContact O-N 3.26Å; N23-S27 VanDerWaalsContact O-N 3.14Å
24K75.2Confident75.5Confident112 Ų11272.7 Ų72.749%0.48736%0.364SS..Hα-helixtrans-72.8-37.5176.1-68.5-179.6-175.1158.50110.9D21 F22 L26 S27 V28D21-K24 HydrophobicContact CB-CB 4.14Å; D21-K24 HydrophobicContact CB-CD 3.85Å; D21-K24 HydrophobicContact CB-CG 4.07Å; D21-K24 PolarHBondContact O-N 2.93Å; D21-K24 WeakPolarHBondContact OD2-CE 3.49Å; D21-K24 IonicContact OD2-NZ 2.91Å; D21-K24 PolarHBondContact OD2-NZ 3.12Å; F22-K24 VanDerWaalsContact C-N 3.33Å; F22-K24 PolarHBondContact O-N 3.48Å; K24-L26 VanDerWaalsContact C-N 3.33Å; K24-S27 PolarHBondContact O-N 3.39Å; K24-S27 PolarHBondContact O-OG 2.84Å; K24-V28 VanDerWaalsContact O-CG2 3.3Å; K24-V28 WeakPolarHBondContact O-CG2 3.34Å; K24-V28 PolarHBondContact O-N 3.45Å
25I78.2Confident75.6Confident2 Ų272.1 Ų72.11%0.0136%0.364CS..Hα-helixtrans-63.9-44.6176-60.5165.5000109.4E14 W15 K20 D21 F22 S27 V28 V29 I64 V68E14-I25 HydrophobicContact CB-CG1 4.06Å; W15-I25 HydrophobicContact CE3-CD1 4.24Å; K20-I25 HydrophobicContact CB-CD1 4.41Å; D21-I25 PolarHBondContact O-N 3.36Å; F22-I25 PolarHBondContact O-N 3.46Å; I25-S27 PolarHBondContact O-N 3.29Å; I25-V28 PolarHBondContact O-N 2.85Å; I25-V29 HydrophobicContact CG2-CG2 4.26Å; I25-V29 VanDerWaalsContact O-CG2 3.3Å; I25-V29 WeakPolarHBondContact O-CG2 3.43Å; I25-V29 PolarHBondContact O-N 3.36Å; I25-I64 HydrophobicContact CG2-CG2 4.18Å; I25-V68 HydrophobicContact CB-CG2 4.34Å; I25-V68 HydrophobicContact CD1-CG2 4.3Å; I25-V68 HydrophobicContact CG2-CG2 3.82Å
26L79.3Confident75.7Confident38 Ų3871.3 Ų71.320%0.19936%0.361CS..Hα-helixtrans-59.9-44.1177.3-71.8172.8000112.6F22 K24 V28 V29 E30 E65 V68F22-L26 WeakPolarHBondContact O-CG 3.32Å; F22-L26 PolarHBondContact O-N 3.05Å; K24-L26 VanDerWaalsContact C-N 3.33Å; L26-V28 VanDerWaalsContact C-N 3.34Å; L26-V28 PolarHBondContact O-N 2.68Å; L26-V29 PolarHBondContact O-N 2.91Å; L26-E30 WeakPolarHBondContact O-CG 3.17Å; L26-E30 PolarHBondContact O-N 2.9Å; L26-E65 HydrophobicContact CD2-CG 4.47Å; L26-V68 HydrophobicContact CD1-CG1 4.28Å; L26-V68 HydrophobicContact CD2-CG1 3.85Å; L26-V68 HydrophobicContact CG-CG1 3.79Å
27S81.5Confident75.8Confident53 Ų5371.6 Ų71.637%0.37136%0.361SS..Hα-helixtrans-66.8-35.9177.667.40000112.8N23 K24 I25 E30 N31N23-S27 PolarHBondContact O-N 3.26Å; N23-S27 VanDerWaalsContact O-N 3.14Å; K24-S27 PolarHBondContact O-N 3.39Å; K24-S27 PolarHBondContact O-OG 2.84Å; I25-S27 PolarHBondContact O-N 3.29Å; S27-E30 PolarHBondContact O-N 2.65Å; S27-N31 VanDerWaalsContact O-CG 3.25Å; S27-N31 PolarHBondContact O-N 3.4Å; S27-N31 VanDerWaalsContact O-N 3.08Å; S27-N31 PolarHBondContact O-ND2 3.29Å; S27-N31 VanDerWaalsContact O-ND2 3.09Å
28V80Confident75.5Confident22 Ų2273.6 Ų73.613%0.13338%0.377CS..Hα-helixtrans-66.1-41.4172.7173.30000110.7L11 K24 I25 L26 N31 I32L11-V28 HydrophobicContact CB-CG1 4.05Å; L11-V28 HydrophobicContact CD1-CG1 4.35Å; K24-V28 VanDerWaalsContact O-CG2 3.3Å; K24-V28 WeakPolarHBondContact O-CG2 3.34Å; K24-V28 PolarHBondContact O-N 3.45Å; I25-V28 PolarHBondContact O-N 2.85Å; L26-V28 VanDerWaalsContact C-N 3.34Å; L26-V28 PolarHBondContact O-N 2.68Å; V28-N31 PolarHBondContact O-N 2.93Å; V28-I32 HydrophobicContact CG1-CD1 3.77Å; V28-I32 HydrophobicContact CG1-CG1 4.39Å; V28-I32 VanDerWaalsContact O-CG1 3.25Å; V28-I32 WeakPolarHBondContact O-CG1 3.33Å; V28-I32 PolarHBondContact O-N 3.08Å
29V81.5Confident75.9Confident1 Ų169 Ų691%0.00635%0.349CS..Hα-helixtrans-62.2-43.8175.2172.40000111.1L11 I25 L26 N31 I32 K33 V61 E65L11-V29 HydrophobicContact CD1-CG2 3.51Å; I25-V29 HydrophobicContact CG2-CG2 4.26Å; I25-V29 VanDerWaalsContact O-CG2 3.3Å; I25-V29 WeakPolarHBondContact O-CG2 3.43Å; I25-V29 PolarHBondContact O-N 3.36Å; L26-V29 PolarHBondContact O-N 2.91Å; V29-N31 VanDerWaalsContact C-N 3.31Å; V29-N31 PolarHBondContact O-N 3.23Å; V29-I32 CarbonylContact O-C 3.58Å; V29-I32 PolarHBondContact O-N 3.48Å; V29-I32 VanDerWaalsContact O-N 3.12Å; V29-K33 HydrophobicContact CG1-CD 4.21Å; V29-K33 HydrophobicContact CG1-CG 4.18Å; V29-K33 WeakPolarHBondContact O-CB 3.43Å; V29-K33 WeakPolarHBondContact O-CG 3.4Å; V29-K33 PolarHBondContact O-N 2.83Å; V29-V61 HydrophobicContact CG1-CG1 4.08Å; V29-V61 HydrophobicContact CG2-CG1 4.25Å; V29-E65 HydrophobicContact CG1-CB 4.02Å; V29-E65 HydrophobicContact CG1-CG 3.9Å; V29-E65 HydrophobicContact CG2-CB 4.38Å
30E82.5Confident75.8Confident132 Ų13268 Ų6862%0.61735%0.352SS*.Hα-helixtrans-60.4-41.4177.1-74.6177.2174.700111.8L26 S27 I32 K33 S34L26-E30 WeakPolarHBondContact O-CG 3.17Å; L26-E30 PolarHBondContact O-N 2.9Å; S27-E30 PolarHBondContact O-N 2.65Å; E30-I32 VanDerWaalsContact C-N 3.34Å; E30-K33 PolarHBondContact O-N 2.89Å; E30-S34 PolarHBondContact O-N 3.49Å; E30-S34 PolarHBondContact O-OG 3.04Å
31N80.1Confident75.5Confident87 Ų8767.2 Ų67.247%0.46535%0.348SS..Hα-helixtrans-65.8-36.7174.2-69.4-32.7000112.4S27 V28 V29 S34 C35S27-N31 VanDerWaalsContact O-CG 3.25Å; S27-N31 PolarHBondContact O-N 3.4Å; S27-N31 VanDerWaalsContact O-N 3.08Å; S27-N31 PolarHBondContact O-ND2 3.29Å; S27-N31 VanDerWaalsContact O-ND2 3.09Å; V28-N31 PolarHBondContact O-N 2.93Å; V29-N31 VanDerWaalsContact C-N 3.31Å; V29-N31 PolarHBondContact O-N 3.23Å; N31-S34 PolarHBondContact O-OG 2.85Å; N31-C35 PolarHBondContact O-N 3.2Å; N31-C35 PolarHBondContact O-SG 2.59Å; N31-C35 VanDerWaalsContact O-SG 3.32Å
32I79.7Confident74.8Confident1 Ų167.4 Ų67.41%0.00535%0.352CS..Hα-helixtrans-69.4-42.4175.6-70.4166.5000110.4L7 L11 V28 V29 E30 S34 C35 F36 V61L7-I32 HydrophobicContact CB-CD1 4Å; L7-I32 HydrophobicContact CB-CG1 3.59Å; L7-I32 HydrophobicContact CD1-CG1 4.07Å; L7-I32 HydrophobicContact CG-CG1 4.42Å; L11-I32 HydrophobicContact CB-CD1 4.21Å; L11-I32 HydrophobicContact CD1-CD1 3.78Å; V28-I32 HydrophobicContact CG1-CD1 3.77Å; V28-I32 HydrophobicContact CG1-CG1 4.39Å; V28-I32 VanDerWaalsContact O-CG1 3.25Å; V28-I32 WeakPolarHBondContact O-CG1 3.33Å; V28-I32 PolarHBondContact O-N 3.08Å; V29-I32 CarbonylContact O-C 3.58Å; V29-I32 PolarHBondContact O-N 3.48Å; V29-I32 VanDerWaalsContact O-N 3.12Å; E30-I32 VanDerWaalsContact C-N 3.34Å; I32-S34 VanDerWaalsContact C-N 3.34Å; I32-S34 PolarHBondContact O-N 2.89Å; I32-C35 WeakPolarHBondContact O-CB 3.45Å; I32-C35 PolarHBondContact O-N 3.01Å; I32-F36 HydrophobicContact CG2-CD2 3.47Å; I32-F36 VanDerWaalsContact CG2-CD2 3.47Å; I32-F36 HydrophobicContact CG2-CE2 3.17Å; I32-F36 HydrophobicContact CG2-CZ 4.23Å; I32-F36 WeakPolarHBondContact O-CD2 3.35Å; I32-F36 PolarHBondContact O-N 3.08Å; I32-V61 HydrophobicContact CB-CG1 4.47Å; I32-V61 HydrophobicContact CD1-CG2 4.33Å; I32-V61 HydrophobicContact CG2-CG1 3.95Å; I32-V61 HydrophobicContact CG2-CG2 4.09Å
33K80.9Confident73.9Confident43 Ų4366.3 Ų66.319%0.18735%0.352CS..Hα-helixtrans-61.4-41.8176.6-76.7-170.6177.1-165.50111.3V29 E30 C35 F36 I37 E65 E84V29-K33 HydrophobicContact CG1-CD 4.21Å; V29-K33 HydrophobicContact CG1-CG 4.18Å; V29-K33 WeakPolarHBondContact O-CB 3.43Å; V29-K33 WeakPolarHBondContact O-CG 3.4Å; V29-K33 PolarHBondContact O-N 2.83Å; E30-K33 PolarHBondContact O-N 2.89Å; K33-C35 VanDerWaalsContact C-N 3.34Å; K33-C35 PolarHBondContact O-N 3.41Å; K33-F36 PolarHBondContact O-N 3.11Å; K33-F36 VanDerWaalsContact O-N 3.1Å; K33-I37 WeakPolarHBondContact O-CG1 3.5Å; K33-I37 PolarHBondContact O-N 3.27Å; K33-E65 VanDerWaalsContact CE-CD 3.49Å; K33-E65 VanDerWaalsContact CE-OE1 3.29Å; K33-E65 WeakPolarHBondContact CE-OE1 3.38Å; K33-E65 WeakPolarHBondContact CE-OE2 3.38Å; K33-E65 IonicContact NZ-OE1 3.93Å; K33-E65 PolarHBondContact NZ-OE1 2.79Å; K33-E65 IonicContact NZ-OE2 3.82Å; K33-E65 PolarHBondContact NZ-OE2 2.97Å; K33-E84 IonicContact NZ-OE2 3.05Å; K33-E84 PolarHBondContact NZ-OE2 2.91Å
34S80.1Confident72.8Confident59 Ų5963.7 Ų63.741%0.41334%0.344SS..Hα-helixtrans-62.5-41.2175.566.20000111.9E30 N31 I32 F36 I37E30-S34 PolarHBondContact O-N 3.49Å; E30-S34 PolarHBondContact O-OG 3.04Å; N31-S34 PolarHBondContact O-OG 2.85Å; I32-S34 VanDerWaalsContact C-N 3.34Å; I32-S34 PolarHBondContact O-N 2.89Å; S34-F36 VanDerWaalsContact C-N 3.29Å; S34-F36 PolarHBondContact O-N 3.04Å; S34-I37 PolarHBondContact O-N 3.11Å
35C76Confident71.9Confident27 Ų2763.7 Ų63.718%0.18235%0.349CS..Hα-helixtrans-62.4-33.6172-67.80000113.2V4 N31 I32 K33 F39V4-C35 HydrophobicContact CG2-CB 4.09Å; N31-C35 PolarHBondContact O-N 3.2Å; N31-C35 PolarHBondContact O-SG 2.59Å; N31-C35 VanDerWaalsContact O-SG 3.32Å; I32-C35 WeakPolarHBondContact O-CB 3.45Å; I32-C35 PolarHBondContact O-N 3.01Å; K33-C35 VanDerWaalsContact C-N 3.34Å; K33-C35 PolarHBondContact O-N 3.41Å; C35-F39 WeakPolarHBondContact O-CD2 3.47Å; C35-F39 WeakPolarHBondContact O-CE2 3.37Å
36F74.6Confident70.9Confident9 Ų964 Ų644%0.03935%0.351CS..Hα-helixtrans-74.8-27.5178.1-79.2-57.5000113.6V4 I32 K33 S34 D38 F39 F41 Q58V4-F36 HydrophobicContact CG1-CE1 4.1Å; V4-F36 HydrophobicContact CG1-CE2 4.46Å; V4-F36 HydrophobicContact CG1-CZ 3.8Å; I32-F36 HydrophobicContact CG2-CD2 3.47Å; I32-F36 VanDerWaalsContact CG2-CD2 3.47Å; I32-F36 HydrophobicContact CG2-CE2 3.17Å; I32-F36 HydrophobicContact CG2-CZ 4.23Å; I32-F36 WeakPolarHBondContact O-CD2 3.35Å; I32-F36 PolarHBondContact O-N 3.08Å; K33-F36 PolarHBondContact O-N 3.11Å; K33-F36 VanDerWaalsContact O-N 3.1Å; S34-F36 VanDerWaalsContact C-N 3.29Å; S34-F36 PolarHBondContact O-N 3.04Å; F36-D38 PolarHBondContact O-N 2.68Å; F36-F39 PolarHBondContact O-N 3.35Å; F36-F39 VanDerWaalsContact O-O 3.11Å; F36-F41 HydrophobicContact CD1-CE2 4.05Å; F36-Q58 HydrophobicContact CD1-CB 4.46Å; F36-Q58 HydrophobicContact CD1-CG 4.44Å; F36-Q58 HydrophobicContact CD2-CB 4.43Å; F36-Q58 HydrophobicContact CD2-CG 4Å; F36-Q58 HydrophobicContact CE1-CB 3.98Å; F36-Q58 HydrophobicContact CE1-CG 4.41Å; F36-Q58 HydrophobicContact CE2-CB 3.93Å; F36-Q58 HydrophobicContact CE2-CG 3.95Å; F36-Q58 HydrophobicContact CG-CG 4.26Å; F36-Q58 HydrophobicContact CZ-CB 3.7Å; F36-Q58 HydrophobicContact CZ-CG 4.18Å
37I75Confident70Confident129 Ų12971.3 Ų71.366%0.66238%0.381SS*.Hα-helixtrans-59.5-31.4177-70.1167.1000111.3K33 S34 F39K33-I37 WeakPolarHBondContact O-CG1 3.5Å; K33-I37 PolarHBondContact O-N 3.27Å; S34-I37 PolarHBondContact O-N 3.11Å; I37-F39 PolarHBondContact O-N 2.87Å
38D71Confident69Low137 Ų13774 Ų7473%0.73339%0.392SS*.THydrogen-bonded Turntrans-69.8-17.2178.1-64.4-29.5000113F36F36-D38 PolarHBondContact O-N 2.68Å
39F66Low68.2Low76 Ų7679.2 Ų79.233%0.33342%0.418SS..SBendtrans-103.8104.4177.3-61.9-81.7000110C35 F36 I37 F41 M54C35-F39 WeakPolarHBondContact O-CD2 3.47Å; C35-F39 WeakPolarHBondContact O-CE2 3.37Å; F36-F39 PolarHBondContact O-N 3.35Å; F36-F39 VanDerWaalsContact O-O 3.11Å; I37-F39 PolarHBondContact O-N 2.87Å; F39-F41 HydrophobicContact CB-CD2 4.01Å; F39-F41 HydrophobicContact CB-CE1 4.3Å; F39-F41 HydrophobicContact CB-CE2 3.29Å; F39-F41 HydrophobicContact CB-CZ 3.46Å; F39-F41 VanDerWaalsContact CB-CZ 3.46Å; F39-F41 HydrophobicContact CG-CE2 4.22Å; F39-F41 HydrophobicContact CG-CZ 4.04Å; F39-F41 WeakPolarHBondContact O-CD2 3.49Å; F39-F41 PolarHBondContact O-N 2.76Å; F39-F41 VanDerWaalsContact O-N 3.09Å; F39-M54 HydrophobicContact CD1-CE 4.42Å; F39-M54 HydrophobicContact CD1-SD 4.48Å; F39-M54 HydrophobicContact CE1-SD 4.47Å
40N58.9Low67.5Low161 Ų16185 Ų8586%0.86145%0.445SS*.  trans-72.8101.1169.4-90.8-17.5000109.6
41F59.4Low66.7Low47 Ų4780.4 Ų80.421%0.20642%0.424CS..  trans-91113.7170-61.1-74.3000109.9F36 F39 L51 M54F36-F41 HydrophobicContact CD1-CE2 4.05Å; F39-F41 HydrophobicContact CB-CD2 4.01Å; F39-F41 HydrophobicContact CB-CE1 4.3Å; F39-F41 HydrophobicContact CB-CE2 3.29Å; F39-F41 HydrophobicContact CB-CZ 3.46Å; F39-F41 VanDerWaalsContact CB-CZ 3.46Å; F39-F41 HydrophobicContact CG-CE2 4.22Å; F39-F41 HydrophobicContact CG-CZ 4.04Å; F39-F41 WeakPolarHBondContact O-CD2 3.49Å; F39-F41 PolarHBondContact O-N 2.76Å; F39-F41 VanDerWaalsContact O-N 3.09Å; F41-L51 HydrophobicContact CD1-CD1 3.77Å; F41-L51 HydrophobicContact CD1-CD2 4.29Å; F41-L51 HydrophobicContact CD1-CG 3.85Å; F41-L51 HydrophobicContact CE1-CD1 3.49Å; F41-L51 VanDerWaalsContact CE1-CD1 3.49Å; F41-L51 HydrophobicContact CE1-CG 3.83Å; F41-M54 HydrophobicContact CE1-CB 4.12Å; F41-M54 HydrophobicContact CE1-CE 3.57Å; F41-M54 HydrophobicContact CE1-SD 4.43Å; F41-M54 HydrophobicContact CZ-CB 3.84Å; F41-M54 HydrophobicContact CZ-CE 3.62Å; F41-M54 HydrophobicContact CZ-CG 4.5Å; F41-M54 HydrophobicContact CZ-SD 3.89Å
42V59.9Low66.2Low78 Ų7877.5 Ų77.547%0.47341%0.408SS..  trans-99.6125.2157.6-178.10000106.1S44 D45V42-S44 PolarHBondContact O-N 3.32Å; V42-D45 PolarHBondContact O-N 2.94Å
43P55.7Low65.9Low45 Ų4581 Ų8129%0.29243%0.427SS..G310 helixtrans-52.8-25.5-178.3-27.934.1000114D45 L46 D91P43-D45 VanDerWaalsContact C-N 3.25Å; P43-D45 PolarHBondContact O-N 2.95Å; P43-L46 HydrophobicContact CB-CD1 4.33Å; P43-L46 VanDerWaalsContact O-CD1 3.26Å; P43-L46 WeakPolarHBondContact O-CD1 3.35Å; P43-L46 WeakPolarHBondContact O-CG 3.19Å; P43-L46 PolarHBondContact O-N 2.88Å; P43-D91 VanDerWaalsContact CG-OD2 3.3Å; P43-D91 WeakPolarHBondContact CG-OD2 3.42Å
44S53.2Low65.6Low79 Ų7979.5 Ų79.555%0.55242%0.42SS*.G310 helixtrans-67.9-16179.1-49.10000115.1V42V42-S44 PolarHBondContact O-N 3.32Å
45D55.8Low65.4Low112 Ų11276.9 Ų76.960%0.59940%0.402SS*.G310 helixtrans-97.47.7-177.7-68.7-29.6000113.8V42 P43 K47 L51V42-D45 PolarHBondContact O-N 2.94Å; P43-D45 VanDerWaalsContact C-N 3.25Å; P43-D45 PolarHBondContact O-N 2.95Å; D45-K47 PolarHBondContact O-N 3.33Å; D45-L51 HydrophobicContact CB-CD2 4.47Å; D45-L51 WeakPolarHBondContact O-CD2 3.32Å
46L58.8Low65.5Low9 Ų978.2 Ų78.25%0.04741%0.407CS..THydrogen-bonded Turntrans-73.259.2-178.8-69.1161.4000113.4P43 L51 F55 F94P43-L46 HydrophobicContact CB-CD1 4.33Å; P43-L46 VanDerWaalsContact O-CD1 3.26Å; P43-L46 WeakPolarHBondContact O-CD1 3.35Å; P43-L46 WeakPolarHBondContact O-CG 3.19Å; P43-L46 PolarHBondContact O-N 2.88Å; L46-L51 HydrophobicContact CB-CD2 4.44Å; L46-L51 HydrophobicContact CD2-CB 3.9Å; L46-L51 HydrophobicContact CD2-CD2 3.54Å; L46-L51 HydrophobicContact CD2-CG 3.75Å; L46-L51 HydrophobicContact CG-CD2 3.93Å; L46-F55 HydrophobicContact CD1-CD2 4.29Å; L46-F55 HydrophobicContact CD2-CB 4.23Å; L46-F94 HydrophobicContact CD1-CD2 3.61Å; L46-F94 HydrophobicContact CD1-CE2 4.09Å
47K58.7Low65.7Low190 Ų19078.7 Ų78.783%0.82641%0.409SS*.THydrogen-bonded Turntrans-96.3-22168.6-70.6-179.2-176.4172.80113.2D45D45-K47 PolarHBondContact O-N 3.33Å
48D62Low66Low111 Ų11174 Ų7459%0.59439%0.385SS*.SBendtrans-92.5129.6-177-63.8-35.8000110.8E50 L51 E52D48-E50 PolarHBondContact O-N 3.45Å; D48-E50 VanDerWaalsContact O-N 3.13Å; D48-L51 HydrophobicContact CB-CB 4.41Å; D48-L51 VanDerWaalsContact O-CB 3.31Å; D48-L51 WeakPolarHBondContact O-CB 3.24Å; D48-L51 PolarHBondContact O-N 3.32Å; D48-E52 PolarHBondContact O-N 2.98Å
49L62.6Low66.5Low131 Ų13168.4 Ų68.469%0.68635%0.354SS*.Hα-helixtrans-55.4-31.7-179.9-13797.6000112.6L51 E52 D53L49-L51 VanDerWaalsContact C-N 3.32Å; L49-E52 WeakPolarHBondContact O-CB 3.39Å; L49-E52 PolarHBondContact O-N 3.37Å; L49-D53 PolarHBondContact O-N 3Å; L49-D53 VanDerWaalsContact O-N 3.17Å
50E66.2Low67.4Low122 Ų12266.7 Ų66.757%0.5735%0.347SS*.Hα-helixtrans-70.7-29.8178.5-59.4-172.8150.200112.3M1 D48 M54M1-E50 HydrophobicContact CE-CB 3.95Å; M1-E50 HydrophobicContact CE-CG 4.14Å; M1-E50 WeakPolarHBondContact CE-OE2 3.4Å; M1-E50 HydrophobicContact SD-CB 4.1Å; D48-E50 PolarHBondContact O-N 3.45Å; D48-E50 VanDerWaalsContact O-N 3.13Å; E50-M54 WeakPolarHBondContact O-CG 3.49Å; E50-M54 PolarHBondContact O-N 3.31Å
51L66.8Low68.6Low35 Ų3559.1 Ų59.118%0.18331%0.306CS..Hα-helixtrans-73.5-37.1176.4-149.984.6000110.5F41 D45 L46 D48 L49 M54 F55F41-L51 HydrophobicContact CD1-CD1 3.77Å; F41-L51 HydrophobicContact CD1-CD2 4.29Å; F41-L51 HydrophobicContact CD1-CG 3.85Å; F41-L51 HydrophobicContact CE1-CD1 3.49Å; F41-L51 VanDerWaalsContact CE1-CD1 3.49Å; F41-L51 HydrophobicContact CE1-CG 3.83Å; D45-L51 HydrophobicContact CB-CD2 4.47Å; D45-L51 WeakPolarHBondContact O-CD2 3.32Å; L46-L51 HydrophobicContact CB-CD2 4.44Å; L46-L51 HydrophobicContact CD2-CB 3.9Å; L46-L51 HydrophobicContact CD2-CD2 3.54Å; L46-L51 HydrophobicContact CD2-CG 3.75Å; L46-L51 HydrophobicContact CG-CD2 3.93Å; D48-L51 HydrophobicContact CB-CB 4.41Å; D48-L51 VanDerWaalsContact O-CB 3.31Å; D48-L51 WeakPolarHBondContact O-CB 3.24Å; D48-L51 PolarHBondContact O-N 3.32Å; L49-L51 VanDerWaalsContact C-N 3.32Å; L51-M54 HydrophobicContact CD1-CE 3.96Å; L51-M54 PolarHBondContact O-N 3.43Å; L51-F55 WeakPolarHBondContact O-CB 3.23Å; L51-F55 PolarHBondContact O-N 2.91Å
52E69.1Low69.9Low27 Ų2757.1 Ų57.113%0.12630%0.298CS..Hα-helixtrans-61.4-48.4174.2-177.6178.3-172.500111.7D48 L49 M54 F55 L56 F94 H98 V101D48-E52 PolarHBondContact O-N 2.98Å; L49-E52 WeakPolarHBondContact O-CB 3.39Å; L49-E52 PolarHBondContact O-N 3.37Å; E52-M54 VanDerWaalsContact C-N 3.29Å; E52-M54 PolarHBondContact O-N 2.87Å; E52-F55 WeakPolarHBondContact O-CB 3.48Å; E52-F55 PolarHBondContact O-N 3.23Å; E52-L56 HydrophobicContact CG-CD1 4.22Å; E52-L56 WeakPolarHBondContact O-CG 3.48Å; E52-L56 PolarHBondContact O-N 3.41Å; E52-F94 HydrophobicContact CG-CE2 4.06Å; E52-F94 HydrophobicContact CG-CZ 3.97Å; E52-H98 VanDerWaalsContact CD-CE1 3.48Å; E52-H98 IonicContact OE1-CE1 3.71Å; E52-H98 IonicContact OE1-CG 3.48Å; E52-H98 IonicContact OE1-ND1 2.92Å; E52-H98 PolarHBondContact OE1-ND1 3.06Å; E52-H98 IonicContact OE2-CE1 3.11Å; E52-H98 PolarHBondContact OE2-CE1 3.23Å; E52-H98 IonicContact OE2-ND1 3.07Å; E52-H98 PolarHBondContact OE2-ND1 3.48Å; E52-V101 WeakPolarHBondContact OE1-CG2 3.44Å
53D74Confident71.2Confident74 Ų7453.4 Ų53.440%0.39628%0.276SS..Hα-helixtrans-57.4-42.7175.6-90.5-2.1000111.8L49 M57L49-D53 PolarHBondContact O-N 3Å; L49-D53 VanDerWaalsContact O-N 3.17Å; D53-M57 HydrophobicContact CB-CE 3.88Å; D53-M57 WeakPolarHBondContact O-CB 3.4Å; D53-M57 WeakPolarHBondContact O-CE 3.38Å; D53-M57 VanDerWaalsContact O-CG 3.32Å; D53-M57 WeakPolarHBondContact O-CG 3.39Å; D53-M57 PolarHBondContact O-N 2.95Å
54M74.6Confident72.6Confident11 Ų1151.3 Ų51.35%0.05426%0.262CS..Hα-helixtrans-67.5-40.7178-73.9-163.2-66.600112.4M1 F39 F41 E50 L51 E52 M57 Q58M1-M54 HydrophobicContact CG-SD 3.92Å; M1-M54 HydrophobicContact SD-CE 4.48Å; M1-M54 HydrophobicContact SD-CG 4.42Å; M1-M54 HydrophobicContact SD-SD 4.17Å; F39-M54 HydrophobicContact CD1-CE 4.42Å; F39-M54 HydrophobicContact CD1-SD 4.48Å; F39-M54 HydrophobicContact CE1-SD 4.47Å; F41-M54 HydrophobicContact CE1-CB 4.12Å; F41-M54 HydrophobicContact CE1-CE 3.57Å; F41-M54 HydrophobicContact CE1-SD 4.43Å; F41-M54 HydrophobicContact CZ-CB 3.84Å; F41-M54 HydrophobicContact CZ-CE 3.62Å; F41-M54 HydrophobicContact CZ-CG 4.5Å; F41-M54 HydrophobicContact CZ-SD 3.89Å; E50-M54 WeakPolarHBondContact O-CG 3.49Å; E50-M54 PolarHBondContact O-N 3.31Å; L51-M54 HydrophobicContact CD1-CE 3.96Å; L51-M54 PolarHBondContact O-N 3.43Å; E52-M54 VanDerWaalsContact C-N 3.29Å; E52-M54 PolarHBondContact O-N 2.87Å; M54-M57 PolarHBondContact O-N 3.32Å; M54-Q58 WeakPolarHBondContact O-CB 3.32Å; M54-Q58 PolarHBondContact O-N 3.25Å
55F74.7Confident74.3Confident5 Ų548.5 Ų48.52%0.02224%0.24CC..Hα-helixtrans-59.7-46.7176.2-177.4-91.3000111.2L46 L51 E52 Q58 Q59 Y88 F94L46-F55 HydrophobicContact CD1-CD2 4.29Å; L46-F55 HydrophobicContact CD2-CB 4.23Å; L51-F55 WeakPolarHBondContact O-CB 3.23Å; L51-F55 PolarHBondContact O-N 2.91Å; E52-F55 WeakPolarHBondContact O-CB 3.48Å; E52-F55 PolarHBondContact O-N 3.23Å; F55-Q58 PolarHBondContact O-N 3.32Å; F55-Q59 PolarHBondContact O-N 3.26Å; F55-Y88 HydrophobicContact CD1-CD1 4.45Å; F55-Y88 AromaticContact CD2-CD1 3.9Å; F55-Y88 HydrophobicContact CD2-CD1 3.9Å; F55-Y88 AromaticContact CD2-CE1 3.88Å; F55-Y88 HydrophobicContact CD2-CE1 3.88Å; F55-Y88 AromaticContact CE1-CD1 3.97Å; F55-Y88 HydrophobicContact CE1-CD1 3.97Å; F55-Y88 AromaticContact CE2-CD1 3.36Å; F55-Y88 HydrophobicContact CE2-CD1 3.36Å; F55-Y88 AromaticContact CE2-CE1 3.68Å; F55-Y88 HydrophobicContact CE2-CE1 3.68Å; F55-Y88 HydrophobicContact CE2-CG 4.41Å; F55-Y88 HydrophobicContact CG-CD1 4.43Å; F55-Y88 AromaticContact CZ-CD1 3.41Å; F55-Y88 HydrophobicContact CZ-CD1 3.41Å; F55-Y88 VanDerWaalsContact CZ-CD1 3.41Å; F55-Y88 HydrophobicContact CZ-CE1 4.21Å; F55-Y88 HydrophobicContact CZ-CG 4.21Å; F55-F94 HydrophobicContact CD1-CD1 4.26Å; F55-F94 HydrophobicContact CD1-CD2 4.5Å; F55-F94 AromaticContact CD1-CE1 3.85Å; F55-F94 HydrophobicContact CD1-CE1 3.85Å; F55-F94 HydrophobicContact CD1-CE2 4.1Å; F55-F94 AromaticContact CD1-CZ 3.76Å; F55-F94 HydrophobicContact CD1-CZ 3.76Å; F55-F94 AromaticContact CE1-CD1 3.74Å; F55-F94 HydrophobicContact CE1-CD1 3.74Å; F55-F94 HydrophobicContact CE1-CD2 4.44Å; F55-F94 AromaticContact CE1-CE1 3.74Å; F55-F94 HydrophobicContact CE1-CE1 3.74Å; F55-F94 HydrophobicContact CE1-CE2 4.43Å; F55-F94 HydrophobicContact CE1-CG 4.09Å; F55-F94 HydrophobicContact CE1-CZ 4.09Å; F55-F94 HydrophobicContact CZ-CD1 4.46Å; F55-F94 HydrophobicContact CZ-CG 4.47Å
56L78Confident75.8Confident54 Ų5443.2 Ų43.228%0.28321%0.211SC..Hα-helixtrans-65.1-41177.2-71.4167.5000112.5E52 Q59 H60 V101E52-L56 HydrophobicContact CG-CD1 4.22Å; E52-L56 WeakPolarHBondContact O-CG 3.48Å; E52-L56 PolarHBondContact O-N 3.41Å; L56-Q59 PolarHBondContact O-N 3.16Å; L56-H60 PolarHBondContact O-N 3.04Å; L56-V101 HydrophobicContact CD1-CG1 4.32Å; L56-V101 HydrophobicContact CD1-CG2 4.39Å; L56-V101 HydrophobicContact CD2-CG1 3.69Å
57M78.3Confident77.1Confident19 Ų1943 Ų439%0.09421%0.21CC..Hα-helixtrans-61.9-44.1174.5-79.7-175.7-94.600111.5K5 Y8 D53 M54 H60 V61K5-M57 HydrophobicContact CG-CE 4.25Å; K5-M57 HydrophobicContact CG-SD 4.12Å; Y8-M57 HydrophobicContact CD1-CG 4.31Å; Y8-M57 HydrophobicContact CD1-SD 4.28Å; Y8-M57 HydrophobicContact CD2-CB 4.45Å; Y8-M57 HydrophobicContact CD2-CG 4.36Å; Y8-M57 HydrophobicContact CE1-CG 4.25Å; Y8-M57 HydrophobicContact CE2-CB 4.46Å; Y8-M57 HydrophobicContact CE2-CG 4.33Å; Y8-M57 HydrophobicContact CG-CG 4.35Å; Y8-M57 HydrophobicContact CG-SD 4.34Å; D53-M57 HydrophobicContact CB-CE 3.88Å; D53-M57 WeakPolarHBondContact O-CB 3.4Å; D53-M57 WeakPolarHBondContact O-CE 3.38Å; D53-M57 VanDerWaalsContact O-CG 3.32Å; D53-M57 WeakPolarHBondContact O-CG 3.39Å; D53-M57 PolarHBondContact O-N 2.95Å; M54-M57 PolarHBondContact O-N 3.32Å; M57-H60 PolarHBondContact O-N 3.01Å; M57-V61 WeakPolarHBondContact O-CG2 3.5Å; M57-V61 PolarHBondContact O-N 3.29Å
58Q81.4Confident78.4Confident31 Ų3133.9 Ų33.915%0.14517%0.171CC..Hα-helixtrans-64.2-43.6178.6-169.5174.112.600111.4F36 M54 F55 H60 V61 L62 Y88F36-Q58 HydrophobicContact CD1-CB 4.46Å; F36-Q58 HydrophobicContact CD1-CG 4.44Å; F36-Q58 HydrophobicContact CD2-CB 4.43Å; F36-Q58 HydrophobicContact CD2-CG 4Å; F36-Q58 HydrophobicContact CE1-CB 3.98Å; F36-Q58 HydrophobicContact CE1-CG 4.41Å; F36-Q58 HydrophobicContact CE2-CB 3.93Å; F36-Q58 HydrophobicContact CE2-CG 3.95Å; F36-Q58 HydrophobicContact CG-CG 4.26Å; F36-Q58 HydrophobicContact CZ-CB 3.7Å; F36-Q58 HydrophobicContact CZ-CG 4.18Å; M54-Q58 WeakPolarHBondContact O-CB 3.32Å; M54-Q58 PolarHBondContact O-N 3.25Å; F55-Q58 PolarHBondContact O-N 3.32Å; Q58-H60 VanDerWaalsContact C-N 3.34Å; Q58-H60 PolarHBondContact O-N 3.44Å; Q58-V61 PolarHBondContact O-N 3.09Å; Q58-L62 HydrophobicContact CG-CD1 4.35Å; Q58-L62 WeakPolarHBondContact O-CG 3.43Å; Q58-L62 PolarHBondContact O-N 3.41Å; Q58-Y88 HydrophobicContact CG-CE1 4.43Å; Q58-Y88 PolarHBondContact NE2-OH 3.38Å; Q58-Y88 PolarHBondContact OE1-OH 3.19Å
59Q82.7Confident79.5Confident19 Ų1929 Ų299%0.08915%0.145CC..Hα-helixtrans-56.3-49.4174-177-171.8-23.800111F55 L56 V61 L62 E63 L85 Y88F55-Q59 PolarHBondContact O-N 3.26Å; L56-Q59 PolarHBondContact O-N 3.16Å; Q59-V61 VanDerWaalsContact C-N 3.33Å; Q59-V61 PolarHBondContact O-N 3.18Å; Q59-L62 PolarHBondContact O-N 3.05Å; Q59-E63 HydrophobicContact CG-CG 4.49Å; Q59-E63 PolarHBondContact NE2-OE1 2.75Å; Q59-E63 WeakPolarHBondContact O-CG 3.45Å; Q59-E63 PolarHBondContact O-N 3.18Å; Q59-L85 HydrophobicContact CG-CD2 4.37Å; Q59-Y88 HydrophobicContact CB-CD1 4.42Å
60H83.6Confident80.6Confident40 Ų4023 Ų2319%0.18511%0.113CC..Hα-helixtrans-65.5-36.2-178.3-170.8-123.1000112.6Y8 L56 M57 Q58 E63 I64Y8-H60 HydrophobicContact CE2-CB 4.17Å; Y8-H60 AromaticContact CE2-ND1 3.47Å; Y8-H60 WeakPolarHBondContact CE2-ND1 3.41Å; Y8-H60 AromaticContact CZ-ND1 3.48Å; Y8-H60 PolarHBondContact OH-ND1 3.5Å; L56-H60 PolarHBondContact O-N 3.04Å; M57-H60 PolarHBondContact O-N 3.01Å; Q58-H60 VanDerWaalsContact C-N 3.34Å; Q58-H60 PolarHBondContact O-N 3.44Å; H60-E63 PolarHBondContact O-N 2.72Å; H60-I64 VanDerWaalsContact CE1-CD1 3.41Å; H60-I64 WeakPolarHBondContact CE1-CD1 3.37Å; H60-I64 WeakPolarHBondContact O-CG1 3.44Å; H60-I64 PolarHBondContact O-N 3.17Å
61V85.7Confident81.5Confident2 Ų218.9 Ų18.91%0.01210%0.1CC..Hα-helixtrans-62.9-44.7174.2170.10000111.1Y8 L11 V29 I32 M57 Q58 Q59 I64 E65Y8-V61 HydrophobicContact CD2-CG2 3.75Å; Y8-V61 HydrophobicContact CE2-CG2 4.12Å; L11-V61 HydrophobicContact CD1-CG1 4.4Å; V29-V61 HydrophobicContact CG1-CG1 4.08Å; V29-V61 HydrophobicContact CG2-CG1 4.25Å; I32-V61 HydrophobicContact CB-CG1 4.47Å; I32-V61 HydrophobicContact CD1-CG2 4.33Å; I32-V61 HydrophobicContact CG2-CG1 3.95Å; I32-V61 HydrophobicContact CG2-CG2 4.09Å; M57-V61 WeakPolarHBondContact O-CG2 3.5Å; M57-V61 PolarHBondContact O-N 3.29Å; Q58-V61 PolarHBondContact O-N 3.09Å; Q59-V61 VanDerWaalsContact C-N 3.33Å; Q59-V61 PolarHBondContact O-N 3.18Å; V61-I64 PolarHBondContact O-N 3.26Å; V61-E65 WeakPolarHBondContact O-CB 3.27Å; V61-E65 PolarHBondContact O-N 3.28Å
62L85.9Confident82.3Confident5 Ų519.6 Ų19.63%0.02611%0.107CC..Hα-helixtrans-66.8-36.9176.7-69.8173.7000112Q58 Q59 E65 G66 T81 E84 L85 Y88Q58-L62 HydrophobicContact CG-CD1 4.35Å; Q58-L62 WeakPolarHBondContact O-CG 3.43Å; Q58-L62 PolarHBondContact O-N 3.41Å; Q59-L62 PolarHBondContact O-N 3.05Å; L62-E65 PolarHBondContact O-N 3.02Å; L62-G66 PolarHBondContact O-N 3.21Å; L62-T81 HydrophobicContact CB-CG2 4.39Å; L62-T81 HydrophobicContact CD2-CG2 4.5Å; L62-T81 WeakPolarHBondContact O-CG2 3.22Å; L62-E84 HydrophobicContact CD1-CB 4.3Å; L62-E84 HydrophobicContact CD2-CB 4.41Å; L62-E84 WeakPolarHBondContact CD2-OE2 3.19Å; L62-L85 HydrophobicContact CB-CD1 4.4Å; L62-L85 HydrophobicContact CB-CD2 3.4Å; L62-L85 VanDerWaalsContact CB-CD2 3.4Å; L62-L85 HydrophobicContact CB-CG 3.79Å; L62-L85 HydrophobicContact CD1-CD2 4.19Å; L62-L85 HydrophobicContact CG-CD2 4.45Å; L62-Y88 HydrophobicContact CD1-CD2 4.03Å; L62-Y88 HydrophobicContact CD1-CE2 3.43Å; L62-Y88 VanDerWaalsContact CD1-CE2 3.43Å
63E87.2Confident83Confident1 Ų125.4 Ų25.41%0.00513%0.128CC..Hα-helixtrans-61.6-45.8174.9-75.8174.5174.400111.2Q59 H60 G66 L67 L85 Y89 S104 M106 M110Q59-E63 HydrophobicContact CG-CG 4.49Å; Q59-E63 PolarHBondContact NE2-OE1 2.75Å; Q59-E63 WeakPolarHBondContact O-CG 3.45Å; Q59-E63 PolarHBondContact O-N 3.18Å; H60-E63 PolarHBondContact O-N 2.72Å; E63-G66 PolarHBondContact O-N 3.4Å; E63-L67 WeakPolarHBondContact O-CG 3.41Å; E63-L67 PolarHBondContact O-N 3.29Å; E63-L67 VanDerWaalsContact O-N 3.15Å; E63-L85 HydrophobicContact CG-CD1 4.27Å; E63-L85 HydrophobicContact CG-CD2 3.94Å; E63-Y89 WeakPolarHBondContact CG-OH 3.45Å; E63-Y89 WeakPolarHBondContact OE1-CE1 3.25Å; E63-Y89 PolarHBondContact OE1-OH 3.19Å; E63-S104 WeakPolarHBondContact OE1-CB 3.41Å; E63-S104 PolarHBondContact OE1-OG 2.92Å; E63-S104 PolarHBondContact OE2-OG 3.05Å; E63-M106 HydrophobicContact CB-CB 4.5Å; E63-M106 HydrophobicContact CB-SD 4.37Å; E63-M106 HydrophobicContact CG-CB 4.47Å; E63-M110 VanDerWaalsContact O-CE 3.26Å; E63-M110 WeakPolarHBondContact O-CE 3.45Å
64I86.2Confident83.5Confident0 Ų025.4 Ų25.40%013%0.128CC..Hα-helixtrans-64.6-44176.2-71.2172.5000111.1L11 W15 I25 H60 V61 G66 L67 V68L11-I64 HydrophobicContact CD2-CB 4.33Å; L11-I64 HydrophobicContact CD2-CD1 3.34Å; L11-I64 HydrophobicContact CD2-CG1 4.4Å; L11-I64 HydrophobicContact CD2-CG2 4.11Å; W15-I64 HydrophobicContact CD2-CD1 4.48Å; W15-I64 HydrophobicContact CD2-CG1 4.35Å; W15-I64 HydrophobicContact CD2-CG2 4.06Å; W15-I64 HydrophobicContact CE3-CG2 3.67Å; W15-I64 HydrophobicContact CG-CD1 4.21Å; W15-I64 HydrophobicContact CZ3-CG2 3.98Å; I25-I64 HydrophobicContact CG2-CG2 4.18Å; H60-I64 VanDerWaalsContact CE1-CD1 3.41Å; H60-I64 WeakPolarHBondContact CE1-CD1 3.37Å; H60-I64 WeakPolarHBondContact O-CG1 3.44Å; H60-I64 PolarHBondContact O-N 3.17Å; V61-I64 PolarHBondContact O-N 3.26Å; I64-G66 VanDerWaalsContact C-N 3.29Å; I64-G66 PolarHBondContact O-N 3.16Å; I64-L67 PolarHBondContact O-N 3.09Å; I64-V68 HydrophobicContact CG2-CG2 4.26Å; I64-V68 VanDerWaalsContact O-CG2 3.29Å; I64-V68 WeakPolarHBondContact O-CG2 3.44Å; I64-V68 PolarHBondContact O-N 2.95Å
65E88Confident84Confident21 Ų2127.1 Ų27.110%0.09814%0.137CC..Hα-helixtrans-57-44.3175.8-172.7-163.4-153.400111.4L26 V29 K33 V61 L62 L67 V68 N69 T81L26-E65 HydrophobicContact CD2-CG 4.47Å; V29-E65 HydrophobicContact CG1-CB 4.02Å; V29-E65 HydrophobicContact CG1-CG 3.9Å; V29-E65 HydrophobicContact CG2-CB 4.38Å; K33-E65 VanDerWaalsContact CE-CD 3.49Å; K33-E65 VanDerWaalsContact CE-OE1 3.29Å; K33-E65 WeakPolarHBondContact CE-OE1 3.38Å; K33-E65 WeakPolarHBondContact CE-OE2 3.38Å; K33-E65 IonicContact NZ-OE1 3.93Å; K33-E65 PolarHBondContact NZ-OE1 2.79Å; K33-E65 IonicContact NZ-OE2 3.82Å; K33-E65 PolarHBondContact NZ-OE2 2.97Å; V61-E65 WeakPolarHBondContact O-CB 3.27Å; V61-E65 PolarHBondContact O-N 3.28Å; L62-E65 PolarHBondContact O-N 3.02Å; E65-L67 PolarHBondContact O-N 3.1Å; E65-V68 PolarHBondContact O-N 3.01Å; E65-N69 WeakPolarHBondContact O-CB 3.3Å; E65-N69 VanDerWaalsContact O-CG 3.25Å; E65-N69 PolarHBondContact O-N 3.4Å; E65-N69 PolarHBondContact O-ND2 3.24Å; E65-T81 HydrophobicContact CB-CG2 4.28Å; E65-T81 HydrophobicContact CG-CG2 4.49Å; E65-T81 VanDerWaalsContact OE2-CG2 3.31Å; E65-T81 WeakPolarHBondContact OE2-CG2 3.29Å; E65-T81 PolarHBondContact OE2-OG1 3.3Å
66G86.9Confident84.7Confident0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-60.5-44.1178.400000112.2L62 E63 I64 N69 I70L62-G66 PolarHBondContact O-N 3.21Å; E63-G66 PolarHBondContact O-N 3.4Å; I64-G66 VanDerWaalsContact C-N 3.29Å; I64-G66 PolarHBondContact O-N 3.16Å; G66-N69 PolarHBondContact O-N 3.11Å; G66-I70 WeakPolarHBondContact O-CG1 3.42Å; G66-I70 PolarHBondContact O-N 3.05Å; G66-I70 VanDerWaalsContact O-N 3.1Å
67L86.3Confident85.2Confident4 Ų433.9 Ų33.92%0.02117%0.169CC..Hα-helixtrans-66.8-37.2176.8-65.7176.8000112.6W15 E63 I64 E65 A71 M106 M110 L113 Y174W15-L67 HydrophobicContact CH2-CB 3.73Å; W15-L67 HydrophobicContact CH2-CD1 4.04Å; W15-L67 HydrophobicContact CZ2-CB 4.35Å; W15-L67 HydrophobicContact CZ2-CD1 3.79Å; E63-L67 WeakPolarHBondContact O-CG 3.41Å; E63-L67 PolarHBondContact O-N 3.29Å; E63-L67 VanDerWaalsContact O-N 3.15Å; I64-L67 PolarHBondContact O-N 3.09Å; E65-L67 PolarHBondContact O-N 3.1Å; L67-A71 PolarHBondContact O-N 3.22Å; L67-A71 VanDerWaalsContact O-N 3.07Å; L67-M106 HydrophobicContact CD1-CE 4.42Å; L67-M106 HydrophobicContact CD1-SD 4.09Å; L67-M110 HydrophobicContact CD2-CE 4.48Å; L67-M110 HydrophobicContact CG-CE 4.29Å; L67-L113 HydrophobicContact CD2-CD1 3.73Å; L67-Y174 HydrophobicContact CB-CE1 4.26Å; L67-Y174 HydrophobicContact CD1-CE2 4.35Å; L67-Y174 HydrophobicContact CD2-CD1 4.48Å; L67-Y174 HydrophobicContact CD2-CD2 3.82Å; L67-Y174 HydrophobicContact CD2-CE2 4.05Å; L67-Y174 HydrophobicContact CD2-CG 4.07Å
68V86.2Confident85.7Confident0 Ų033 Ų330%017%0.165CC..Hα-helixtrans-65.5-44.1174.2170.90000110.8W15 F22 I25 L26 I64 E65 I70 A71 C72W15-V68 HydrophobicContact CE3-CG2 4.31Å; W15-V68 HydrophobicContact CZ3-CG2 3.62Å; F22-V68 HydrophobicContact CB-CG1 4.01Å; F22-V68 HydrophobicContact CD1-CB 4.44Å; F22-V68 HydrophobicContact CD1-CG1 3.9Å; F22-V68 HydrophobicContact CD1-CG2 4.3Å; F22-V68 HydrophobicContact CG-CG1 4.41Å; I25-V68 HydrophobicContact CB-CG2 4.34Å; I25-V68 HydrophobicContact CD1-CG2 4.3Å; I25-V68 HydrophobicContact CG2-CG2 3.82Å; L26-V68 HydrophobicContact CD1-CG1 4.28Å; L26-V68 HydrophobicContact CD2-CG1 3.85Å; L26-V68 HydrophobicContact CG-CG1 3.79Å; I64-V68 HydrophobicContact CG2-CG2 4.26Å; I64-V68 VanDerWaalsContact O-CG2 3.29Å; I64-V68 WeakPolarHBondContact O-CG2 3.44Å; I64-V68 PolarHBondContact O-N 2.95Å; E65-V68 PolarHBondContact O-N 3.01Å; V68-I70 VanDerWaalsContact C-N 3.29Å; V68-I70 PolarHBondContact O-N 3.23Å; V68-A71 CarbonylContact O-C 3.57Å; V68-A71 WeakPolarHBondContact O-CB 3.33Å; V68-A71 PolarHBondContact O-N 3.26Å; V68-C72 PolarHBondContact O-N 2.99Å; V68-C72 PolarHBondContact O-SG 3.48Å
69N86.1Confident86Confident8 Ų834 Ų344%0.04317%0.171CC..Hα-helixtrans-60.6-38.7178.4-74.8-21.8000111.8E65 G66 C72 R73 D74 A77 F78 T81E65-N69 WeakPolarHBondContact O-CB 3.3Å; E65-N69 VanDerWaalsContact O-CG 3.25Å; E65-N69 PolarHBondContact O-N 3.4Å; E65-N69 PolarHBondContact O-ND2 3.24Å; G66-N69 PolarHBondContact O-N 3.11Å; N69-C72 CarbonylContact O-C 3.54Å; N69-C72 PolarHBondContact O-N 3.38Å; N69-R73 PolarHBondContact O-N 3.39Å; N69-R73 VanDerWaalsContact O-N 3.12Å; N69-D74 PolarHBondContact O-N 3.24Å; N69-A77 HydrophobicContact CB-CB 4.32Å; N69-F78 HydrophobicContact CB-CB 4.2Å; N69-T81 PolarHBondContact ND2-OG1 3.26Å
70I85.6Confident86.4Confident6 Ų641.1 Ų41.13%0.03120%0.197CC..Hα-helixtrans-65.1-43.7172.8-67161.1000111.2G66 V68 C72 R73 F78 L113 Y174 F178G66-I70 WeakPolarHBondContact O-CG1 3.42Å; G66-I70 PolarHBondContact O-N 3.05Å; G66-I70 VanDerWaalsContact O-N 3.1Å; V68-I70 VanDerWaalsContact C-N 3.29Å; V68-I70 PolarHBondContact O-N 3.23Å; I70-C72 VanDerWaalsContact C-N 3.28Å; I70-C72 PolarHBondContact O-N 3.49Å; I70-R73 WeakPolarHBondContact O-CA 3.26Å; I70-R73 PolarHBondContact O-N 3.06Å; I70-F78 HydrophobicContact CD1-CD2 3.58Å; I70-F78 HydrophobicContact CD1-CE2 3.24Å; I70-F78 HydrophobicContact CD1-CG 4.37Å; I70-F78 HydrophobicContact CD1-CZ 3.82Å; I70-F78 HydrophobicContact CG1-CB 4.46Å; I70-F78 HydrophobicContact CG1-CD2 3.45Å; I70-F78 VanDerWaalsContact CG1-CD2 3.45Å; I70-F78 HydrophobicContact CG1-CE2 3.69Å; I70-F78 HydrophobicContact CG1-CG 3.89Å; I70-F78 HydrophobicContact CG1-CZ 4.33Å; I70-L113 HydrophobicContact CD1-CB 3.99Å; I70-L113 HydrophobicContact CD1-CD1 3.59Å; I70-L113 HydrophobicContact CD1-CD2 4.02Å; I70-L113 HydrophobicContact CD1-CG 4.07Å; I70-Y174 HydrophobicContact CG2-CD1 4.47Å; I70-Y174 WeakPolarHBondContact CG2-O 3.3Å; I70-F178 HydrophobicContact CD1-CE2 4.37Å; I70-F178 HydrophobicContact CG1-CE2 4.2Å; I70-F178 HydrophobicContact CG1-CZ 4.41Å; I70-F178 HydrophobicContact CG2-CE2 4.11Å
71A84.8Confident86.6Confident34 Ų3439.3 Ų39.328%0.28119%0.189SC..Hα-helixtrans-63.3-36.1177.700000112.3F22 L67 V68 R73 Y174F22-A71 HydrophobicContact CD1-CB 3.98Å; F22-A71 HydrophobicContact CE1-CB 3.35Å; F22-A71 HydrophobicContact CE2-CB 4.22Å; F22-A71 HydrophobicContact CZ-CB 3.49Å; F22-A71 VanDerWaalsContact CZ-CB 3.49Å; L67-A71 PolarHBondContact O-N 3.22Å; L67-A71 VanDerWaalsContact O-N 3.07Å; V68-A71 CarbonylContact O-C 3.57Å; V68-A71 WeakPolarHBondContact O-CB 3.33Å; V68-A71 PolarHBondContact O-N 3.26Å; A71-R73 PolarHBondContact O-N 2.94Å; A71-Y174 HydrophobicContact CB-CE1 4.44Å
72C83.8Confident86.7Confident51 Ų5140 Ų4035%0.34519%0.193SC..THydrogen-bonded Turntrans-73.9-4.7171.6-710000114.1F22 V68 N69 I70 D74F22-C72 VanDerWaalsContact CB-SG 3.5Å; V68-C72 PolarHBondContact O-N 2.99Å; V68-C72 PolarHBondContact O-SG 3.48Å; N69-C72 CarbonylContact O-C 3.54Å; N69-C72 PolarHBondContact O-N 3.38Å; I70-C72 VanDerWaalsContact C-N 3.28Å; I70-C72 PolarHBondContact O-N 3.49Å; C72-D74 VanDerWaalsContact C-N 3.25Å; C72-D74 PolarHBondContact O-N 2.99Å
73R83.1Confident86.7Confident148 Ų14844.1 Ų44.156%0.55821%0.214SC*.THydrogen-bonded Turntrans60.728.2-178.1-54.5178.8174.7-156.2-6.9114.1N69 I70 A71 Y177N69-R73 PolarHBondContact O-N 3.39Å; N69-R73 VanDerWaalsContact O-N 3.12Å; I70-R73 WeakPolarHBondContact O-CA 3.26Å; I70-R73 PolarHBondContact O-N 3.06Å; A71-R73 PolarHBondContact O-N 2.94Å; R73-Y177 HydrophobicContact CB-CD2 4.27Å; R73-Y177 HydrophobicContact CB-CE1 4.36Å; R73-Y177 HydrophobicContact CB-CE2 3.77Å; R73-Y177 HydrophobicContact CG-CD2 3.7Å; R73-Y177 HydrophobicContact CG-CE2 3.66Å; R73-Y177 HydrophobicContact CG-CG 4.24Å
74D85Confident86.6Confident75 Ų7546.4 Ų46.440%0.40123%0.225SC..  trans-9796.2174.2-169.1-17000111.1N69 C72 K76 A77 F78N69-D74 PolarHBondContact O-N 3.24Å; C72-D74 VanDerWaalsContact C-N 3.25Å; C72-D74 PolarHBondContact O-N 2.99Å; D74-K76 VanDerWaalsContact C-N 3.3Å; D74-K76 PolarHBondContact O-N 2.9Å; D74-K76 PolarHBondContact OD1-N 2.86Å; D74-A77 HydrophobicContact CB-CB 3.99Å; D74-A77 VanDerWaalsContact CG-CB 3.5Å; D74-A77 PolarHBondContact OD1-N 2.93Å; D74-A77 WeakPolarHBondContact OD2-CB 3.5Å; D74-F78 WeakPolarHBondContact O-CB 3.3Å; D74-F78 PolarHBondContact O-N 3.37Å; D74-F78 VanDerWaalsContact O-N 3.08Å
75I85Confident86.6Confident47 Ų4746.4 Ų46.424%0.24123%0.225CC..Hα-helixtrans-63.8-35.8179.1-60.6172.5000111.4F78 L79 Y177 I181I75-F78 PolarHBondContact O-N 3.09Å; I75-L79 HydrophobicContact CG2-CD1 4.13Å; I75-L79 HydrophobicContact CG2-CG 4.41Å; I75-L79 VanDerWaalsContact O-CG 3.31Å; I75-L79 WeakPolarHBondContact O-CG 3.19Å; I75-L79 PolarHBondContact O-N 2.98Å; I75-Y177 HydrophobicContact CD1-CE1 4.05Å; I75-Y177 HydrophobicContact CG1-CE1 3.9Å; I75-I181 HydrophobicContact CD1-CD1 4.35Å
76K89Confident86.3Confident175 Ų17550 Ų5076%0.76124%0.238SC*.Hα-helixtrans-72.3-45.3-175.4-68.5-179.8-178.7178.50110.8D74 F78 L79 R80D74-K76 VanDerWaalsContact C-N 3.3Å; D74-K76 PolarHBondContact O-N 2.9Å; D74-K76 PolarHBondContact OD1-N 2.86Å; K76-F78 VanDerWaalsContact C-N 3.31Å; K76-L79 PolarHBondContact O-N 3.3Å; K76-R80 PolarHBondContact O-N 3.23Å
77A88.3Confident85.9Confident26 Ų2655.3 Ų55.322%0.21526%0.262CS..Hα-helixtrans-61.5-42.9174.900000111N69 D74 L79 R80 T81N69-A77 HydrophobicContact CB-CB 4.32Å; D74-A77 HydrophobicContact CB-CB 3.99Å; D74-A77 VanDerWaalsContact CG-CB 3.5Å; D74-A77 PolarHBondContact OD1-N 2.93Å; D74-A77 WeakPolarHBondContact OD2-CB 3.5Å; A77-L79 PolarHBondContact O-N 2.99Å; A77-R80 WeakPolarHBondContact O-CB 3.47Å; A77-R80 PolarHBondContact O-N 3.31Å; A77-T81 PolarHBondContact O-N 3.38Å; A77-T81 PolarHBondContact O-OG1 3.3Å
78F89Confident85.4Confident0 Ų057.2 Ų57.20%027%0.269CS..Hα-helixtrans-57.4-49.7175.2174.3-108.7000112.7N69 I70 D74 I75 K76 R80 T81 V82 M110 L113 C117 F178N69-F78 HydrophobicContact CB-CB 4.2Å; I70-F78 HydrophobicContact CD1-CD2 3.58Å; I70-F78 HydrophobicContact CD1-CE2 3.24Å; I70-F78 HydrophobicContact CD1-CG 4.37Å; I70-F78 HydrophobicContact CD1-CZ 3.82Å; I70-F78 HydrophobicContact CG1-CB 4.46Å; I70-F78 HydrophobicContact CG1-CD2 3.45Å; I70-F78 VanDerWaalsContact CG1-CD2 3.45Å; I70-F78 HydrophobicContact CG1-CE2 3.69Å; I70-F78 HydrophobicContact CG1-CG 3.89Å; I70-F78 HydrophobicContact CG1-CZ 4.33Å; D74-F78 WeakPolarHBondContact O-CB 3.3Å; D74-F78 PolarHBondContact O-N 3.37Å; D74-F78 VanDerWaalsContact O-N 3.08Å; I75-F78 PolarHBondContact O-N 3.09Å; K76-F78 VanDerWaalsContact C-N 3.31Å; F78-R80 PolarHBondContact O-N 3.03Å; F78-T81 PolarHBondContact O-N 3.32Å; F78-T81 VanDerWaalsContact O-N 3.14Å; F78-V82 HydrophobicContact CD1-CG2 4.27Å; F78-V82 HydrophobicContact CD2-CG2 4.14Å; F78-V82 HydrophobicContact CE1-CG2 3.78Å; F78-V82 HydrophobicContact CE2-CG2 3.63Å; F78-V82 HydrophobicContact CG-CG2 4.44Å; F78-V82 HydrophobicContact CZ-CG2 3.43Å; F78-V82 VanDerWaalsContact CZ-CG2 3.43Å; F78-V82 WeakPolarHBondContact O-CG2 3.39Å; F78-V82 PolarHBondContact O-N 2.57Å; F78-M110 HydrophobicContact CE2-SD 3.48Å; F78-M110 WeakPolarHBondContact CE2-SD 3.27Å; F78-M110 HydrophobicContact CZ-SD 4.04Å; F78-L113 HydrophobicContact CE2-CB 4.46Å; F78-L113 HydrophobicContact CZ-CB 3.85Å; F78-C117 HydrophobicContact CD1-CB 4.5Å; F78-C117 HydrophobicContact CE1-CB 4.11Å; F78-F178 HydrophobicContact CD1-CZ 4.41Å; F78-F178 HydrophobicContact CE1-CZ 4.41Å
79L88.4Confident85Confident53 Ų5358.9 Ų58.928%0.27728%0.276SS..Hα-helixtrans-59.5-36.2179.1-73.8172.9000112.3I75 K76 A77 V82 L83I75-L79 HydrophobicContact CG2-CD1 4.13Å; I75-L79 HydrophobicContact CG2-CG 4.41Å; I75-L79 VanDerWaalsContact O-CG 3.31Å; I75-L79 WeakPolarHBondContact O-CG 3.19Å; I75-L79 PolarHBondContact O-N 2.98Å; K76-L79 PolarHBondContact O-N 3.3Å; A77-L79 PolarHBondContact O-N 2.99Å; L79-V82 PolarHBondContact O-N 3.15Å; L79-L83 WeakPolarHBondContact O-CG 3.3Å; L79-L83 PolarHBondContact O-N 3.32Å
80R90.2Very high84.1Confident168 Ų16862.4 Ų62.463%0.63429%0.293SS*.Hα-helixtrans-64.1-49.3174.2-179.4-178.6173.5170.13.2111.5K76 A77 F78 V82 L83 E84K76-R80 PolarHBondContact O-N 3.23Å; A77-R80 WeakPolarHBondContact O-CB 3.47Å; A77-R80 PolarHBondContact O-N 3.31Å; F78-R80 PolarHBondContact O-N 3.03Å; R80-V82 VanDerWaalsContact C-N 3.27Å; R80-V82 PolarHBondContact O-N 3.44Å; R80-L83 WeakPolarHBondContact O-CB 3.49Å; R80-L83 PolarHBondContact O-N 3.38Å; R80-L83 VanDerWaalsContact O-N 3.12Å; R80-E84 IonicContact CZ-OE1 3.85Å; R80-E84 IonicContact NE-OE1 2.65Å; R80-E84 PolarHBondContact NE-OE1 2.92Å; R80-E84 IonicContact NH2-OE1 2.75Å; R80-E84 PolarHBondContact O-N 2.83Å
81T87.5Confident83.2Confident2 Ų264.3 Ų64.31%0.01230%0.304CS..Hα-helixtrans-60.1-38.8177.9-570000111.6L62 E65 N69 A77 F78 L83 E84 L85L62-T81 HydrophobicContact CB-CG2 4.39Å; L62-T81 HydrophobicContact CD2-CG2 4.5Å; L62-T81 WeakPolarHBondContact O-CG2 3.22Å; E65-T81 HydrophobicContact CB-CG2 4.28Å; E65-T81 HydrophobicContact CG-CG2 4.49Å; E65-T81 VanDerWaalsContact OE2-CG2 3.31Å; E65-T81 WeakPolarHBondContact OE2-CG2 3.29Å; E65-T81 PolarHBondContact OE2-OG1 3.3Å; N69-T81 PolarHBondContact ND2-OG1 3.26Å; A77-T81 PolarHBondContact O-N 3.38Å; A77-T81 PolarHBondContact O-OG1 3.3Å; F78-T81 PolarHBondContact O-N 3.32Å; F78-T81 VanDerWaalsContact O-N 3.14Å; T81-L83 PolarHBondContact O-N 3.24Å; T81-E84 WeakPolarHBondContact O-CB 3.28Å; T81-E84 PolarHBondContact O-N 3.24Å; T81-L85 HydrophobicContact CG2-CD1 4.08Å; T81-L85 HydrophobicContact CG2-CG 4.44Å; T81-L85 WeakPolarHBondContact O-CB 3.43Å; T81-L85 WeakPolarHBondContact O-CG 3.33Å; T81-L85 PolarHBondContact O-N 3.42Å
82V87.5Confident82Confident17 Ų1766.5 Ų66.510%0.10331%0.313CS..Hα-helixtrans-64.1-40.5175.3173.70000111.8F78 L79 R80 E84 L85 R86 M110 H114F78-V82 HydrophobicContact CD1-CG2 4.27Å; F78-V82 HydrophobicContact CD2-CG2 4.14Å; F78-V82 HydrophobicContact CE1-CG2 3.78Å; F78-V82 HydrophobicContact CE2-CG2 3.63Å; F78-V82 HydrophobicContact CG-CG2 4.44Å; F78-V82 HydrophobicContact CZ-CG2 3.43Å; F78-V82 VanDerWaalsContact CZ-CG2 3.43Å; F78-V82 WeakPolarHBondContact O-CG2 3.39Å; F78-V82 PolarHBondContact O-N 2.57Å; L79-V82 PolarHBondContact O-N 3.15Å; R80-V82 VanDerWaalsContact C-N 3.27Å; R80-V82 PolarHBondContact O-N 3.44Å; V82-E84 VanDerWaalsContact C-N 3.31Å; V82-E84 PolarHBondContact O-N 3.24Å; V82-L85 PolarHBondContact O-N 3.47Å; V82-R86 WeakPolarHBondContact O-CB 3.46Å; V82-R86 PolarHBondContact O-N 2.93Å; V82-M110 HydrophobicContact CG2-CG 4.44Å; V82-M110 HydrophobicContact CG2-SD 4.14Å; V82-H114 HydrophobicContact CG1-CB 4.02Å; V82-H114 HydrophobicContact CG2-CB 4.4Å
83L86.4Confident80.6Confident91 Ų9169.6 Ų69.648%0.47632%0.323SS..Hα-helixtrans-62.9-39.5175.2-72.6170.5000111.7L79 R80 T81 H87L79-L83 WeakPolarHBondContact O-CG 3.3Å; L79-L83 PolarHBondContact O-N 3.32Å; R80-L83 WeakPolarHBondContact O-CB 3.49Å; R80-L83 PolarHBondContact O-N 3.38Å; R80-L83 VanDerWaalsContact O-N 3.12Å; T81-L83 PolarHBondContact O-N 3.24Å; L83-H87 PolarHBondContact O-CE1 3.4Å; L83-H87 PolarHBondContact O-ND1 2.77Å
84E86.2Confident79.3Confident48 Ų4863.3 Ų63.322%0.22430%0.3CS..Hα-helixtrans-62.3-52.6174.1-69.2171.8-167.500109.9K33 L62 R80 T81 V82 R86 H87 Y88K33-E84 IonicContact NZ-OE2 3.05Å; K33-E84 PolarHBondContact NZ-OE2 2.91Å; L62-E84 HydrophobicContact CD1-CB 4.3Å; L62-E84 HydrophobicContact CD2-CB 4.41Å; L62-E84 WeakPolarHBondContact CD2-OE2 3.19Å; R80-E84 IonicContact CZ-OE1 3.85Å; R80-E84 IonicContact NE-OE1 2.65Å; R80-E84 PolarHBondContact NE-OE1 2.92Å; R80-E84 IonicContact NH2-OE1 2.75Å; R80-E84 PolarHBondContact O-N 2.83Å; T81-E84 WeakPolarHBondContact O-CB 3.28Å; T81-E84 PolarHBondContact O-N 3.24Å; V82-E84 VanDerWaalsContact C-N 3.31Å; V82-E84 PolarHBondContact O-N 3.24Å; E84-R86 VanDerWaalsContact C-N 3.26Å; E84-R86 PolarHBondContact O-N 3.1Å; E84-H87 PolarHBondContact O-N 3.48Å; E84-H87 PolarHBondContact O-ND1 2.94Å; E84-H87 VanDerWaalsContact O-ND1 3.08Å; E84-Y88 VanDerWaalsContact O-CD2 3.3Å; E84-Y88 WeakPolarHBondContact O-CD2 3.47Å; E84-Y88 WeakPolarHBondContact O-CE2 3.26Å
85L85.3Confident77.9Confident1 Ų164.2 Ų64.21%0.00530%0.301CS..Hα-helixtrans-58.3-31.6177.9-77.8172000114.3Q59 L62 E63 T81 V82 H87 Y88 Y89 M110Q59-L85 HydrophobicContact CG-CD2 4.37Å; L62-L85 HydrophobicContact CB-CD1 4.4Å; L62-L85 HydrophobicContact CB-CD2 3.4Å; L62-L85 VanDerWaalsContact CB-CD2 3.4Å; L62-L85 HydrophobicContact CB-CG 3.79Å; L62-L85 HydrophobicContact CD1-CD2 4.19Å; L62-L85 HydrophobicContact CG-CD2 4.45Å; E63-L85 HydrophobicContact CG-CD1 4.27Å; E63-L85 HydrophobicContact CG-CD2 3.94Å; T81-L85 HydrophobicContact CG2-CD1 4.08Å; T81-L85 HydrophobicContact CG2-CG 4.44Å; T81-L85 WeakPolarHBondContact O-CB 3.43Å; T81-L85 WeakPolarHBondContact O-CG 3.33Å; T81-L85 PolarHBondContact O-N 3.42Å; V82-L85 PolarHBondContact O-N 3.47Å; L85-H87 PolarHBondContact O-N 3.37Å; L85-Y88 WeakPolarHBondContact O-CB 3.24Å; L85-Y88 PolarHBondContact O-N 3.22Å; L85-Y88 VanDerWaalsContact O-N 3.09Å; L85-Y89 HydrophobicContact CB-CD2 4.38Å; L85-Y89 HydrophobicContact CB-CE2 3.89Å; L85-Y89 PolarHBondContact O-N 3.07Å; L85-M110 HydrophobicContact CD1-CE 3.96Å; L85-M110 HydrophobicContact CD1-CG 3.74Å; L85-M110 HydrophobicContact CD1-SD 4.16Å
86R82.8Confident76.6Confident97 Ų9770 Ų7037%0.36632%0.324SS..Hα-helixtrans-59.8-31.1-178.7-174.2178.460.11544.2112.8V82 E84 M90V82-R86 WeakPolarHBondContact O-CB 3.46Å; V82-R86 PolarHBondContact O-N 2.93Å; E84-R86 VanDerWaalsContact C-N 3.26Å; E84-R86 PolarHBondContact O-N 3.1Å; R86-M90 HydrophobicContact CG-CG 4.16Å; R86-M90 VanDerWaalsContact O-CB 3.26Å; R86-M90 WeakPolarHBondContact O-CB 3.4Å; R86-M90 WeakPolarHBondContact O-CG 3.1Å; R86-M90 PolarHBondContact O-N 2.83Å; R86-M90 VanDerWaalsContact O-N 3.16Å
87H77.8Confident74.9Confident110 Ų11067 Ų6751%0.50932%0.316SS..Hα-helixtrans-64.2-49.1175.8-5590000109.8L83 E84 L85 Y89 M90 D91L83-H87 PolarHBondContact O-CE1 3.4Å; L83-H87 PolarHBondContact O-ND1 2.77Å; E84-H87 PolarHBondContact O-N 3.48Å; E84-H87 PolarHBondContact O-ND1 2.94Å; E84-H87 VanDerWaalsContact O-ND1 3.08Å; L85-H87 PolarHBondContact O-N 3.37Å; H87-Y89 VanDerWaalsContact C-N 3.31Å; H87-Y89 PolarHBondContact O-N 3.21Å; H87-M90 PolarHBondContact O-N 3.45Å; H87-M90 VanDerWaalsContact O-N 3.11Å; H87-D91 VanDerWaalsContact O-CG 3.32Å; H87-D91 PolarHBondContact O-N 3.44Å
88Y75.9Confident73.3Confident44 Ų4467.6 Ų67.617%0.17332%0.315CS..Hα-helixtrans-59.9-36.7177.4-57.9-90.7000113.4F55 Q58 Q59 L62 E84 L85F55-Y88 HydrophobicContact CD1-CD1 4.45Å; F55-Y88 AromaticContact CD2-CD1 3.9Å; F55-Y88 HydrophobicContact CD2-CD1 3.9Å; F55-Y88 AromaticContact CD2-CE1 3.88Å; F55-Y88 HydrophobicContact CD2-CE1 3.88Å; F55-Y88 AromaticContact CE1-CD1 3.97Å; F55-Y88 HydrophobicContact CE1-CD1 3.97Å; F55-Y88 AromaticContact CE2-CD1 3.36Å; F55-Y88 HydrophobicContact CE2-CD1 3.36Å; F55-Y88 AromaticContact CE2-CE1 3.68Å; F55-Y88 HydrophobicContact CE2-CE1 3.68Å; F55-Y88 HydrophobicContact CE2-CG 4.41Å; F55-Y88 HydrophobicContact CG-CD1 4.43Å; F55-Y88 AromaticContact CZ-CD1 3.41Å; F55-Y88 HydrophobicContact CZ-CD1 3.41Å; F55-Y88 VanDerWaalsContact CZ-CD1 3.41Å; F55-Y88 HydrophobicContact CZ-CE1 4.21Å; F55-Y88 HydrophobicContact CZ-CG 4.21Å; Q58-Y88 HydrophobicContact CG-CE1 4.43Å; Q58-Y88 PolarHBondContact NE2-OH 3.38Å; Q58-Y88 PolarHBondContact OE1-OH 3.19Å; Q59-Y88 HydrophobicContact CB-CD1 4.42Å; L62-Y88 HydrophobicContact CD1-CD2 4.03Å; L62-Y88 HydrophobicContact CD1-CE2 3.43Å; L62-Y88 VanDerWaalsContact CD1-CE2 3.43Å; E84-Y88 VanDerWaalsContact O-CD2 3.3Å; E84-Y88 WeakPolarHBondContact O-CD2 3.47Å; E84-Y88 WeakPolarHBondContact O-CE2 3.26Å; L85-Y88 WeakPolarHBondContact O-CB 3.24Å; L85-Y88 PolarHBondContact O-N 3.22Å; L85-Y88 VanDerWaalsContact O-N 3.09Å
89Y77Confident71.7Confident36 Ų3672.9 Ų72.914%0.14135%0.349CS..Hα-helixtrans-77.8-21.5178.7-62.5-30000114.3E63 L85 H87 K107 M110 I111E63-Y89 WeakPolarHBondContact CG-OH 3.45Å; E63-Y89 WeakPolarHBondContact OE1-CE1 3.25Å; E63-Y89 PolarHBondContact OE1-OH 3.19Å; L85-Y89 HydrophobicContact CB-CD2 4.38Å; L85-Y89 HydrophobicContact CB-CE2 3.89Å; L85-Y89 PolarHBondContact O-N 3.07Å; H87-Y89 VanDerWaalsContact C-N 3.31Å; H87-Y89 PolarHBondContact O-N 3.21Å; Y89-K107 HydrophobicContact CD1-CB 4.42Å; Y89-K107 HydrophobicContact CD1-CD 3.99Å; Y89-K107 HydrophobicContact CD1-CG 3.77Å; Y89-K107 HydrophobicContact CE1-CB 3.86Å; Y89-K107 HydrophobicContact CE1-CD 4.28Å; Y89-K107 HydrophobicContact CE1-CG 3.69Å; Y89-K107 HydrophobicContact CE2-CG 4.47Å; Y89-K107 HydrophobicContact CG-CG 4.21Å; Y89-M110 HydrophobicContact CE2-CB 4.49Å; Y89-M110 HydrophobicContact CE2-CG 4.47Å; Y89-I111 HydrophobicContact CD2-CG1 4.45Å; Y89-I111 HydrophobicContact CE2-CG1 4.49Å
90M67.5Low69.8Low82 Ų8279.3 Ų79.340%0.40438%0.378SS..Hα-helixtrans-95.6-11.4-174.8-73.2-66.4-6400114.4R86 H87 T92 R133R86-M90 HydrophobicContact CG-CG 4.16Å; R86-M90 VanDerWaalsContact O-CB 3.26Å; R86-M90 WeakPolarHBondContact O-CB 3.4Å; R86-M90 WeakPolarHBondContact O-CG 3.1Å; R86-M90 PolarHBondContact O-N 2.83Å; R86-M90 VanDerWaalsContact O-N 3.16Å; H87-M90 PolarHBondContact O-N 3.45Å; H87-M90 VanDerWaalsContact O-N 3.11Å; M90-T92 PolarHBondContact O-N 2.84Å; M90-R133 PolarHBondContact SD-NE 2.87Å; M90-R133 PolarHBondContact SD-NH2 3.24Å
91D66.7Low68.2Low46 Ų4673 Ų7325%0.24636%0.358CS..  trans-71.277176.8-71.2-26.2000110.1P43 H87 E93 F94 Q95P43-D91 VanDerWaalsContact CG-OD2 3.3Å; P43-D91 WeakPolarHBondContact CG-OD2 3.42Å; H87-D91 VanDerWaalsContact O-CG 3.32Å; H87-D91 PolarHBondContact O-N 3.44Å; D91-E93 PolarHBondContact O-N 3.12Å; D91-F94 HydrophobicContact CB-CB 4.2Å; D91-F94 PolarHBondContact O-N 3.08Å; D91-F94 VanDerWaalsContact O-N 3.11Å; D91-Q95 PolarHBondContact O-N 3.49Å
92T59.6Low66.7Low79 Ų7982.1 Ų82.149%0.48540%0.397SS..Hα-helixtrans-60.4-21.3172.159.30000111.9M90 K96M90-T92 PolarHBondContact O-N 2.84Å; T92-K96 WeakPolarHBondContact O-CB 3.2Å; T92-K96 WeakPolarHBondContact O-CD 3.42Å; T92-K96 WeakPolarHBondContact O-CG 3.47Å; T92-K96 PolarHBondContact O-N 3.46Å
93E54.5Low65.7Low116 Ų11684.5 Ų84.554%0.54241%0.407SS..Hα-helixtrans-67.9-42.4173.6-62.6-160.8148.300111.6D91 Q95 K96 L97D91-E93 PolarHBondContact O-N 3.12Å; E93-Q95 PolarHBondContact O-N 3.41Å; E93-K96 PolarHBondContact O-N 3.24Å; E93-L97 WeakPolarHBondContact O-CB 3.35Å; E93-L97 WeakPolarHBondContact O-CD1 3.36Å; E93-L97 WeakPolarHBondContact O-CG 3.44Å; E93-L97 PolarHBondContact O-N 2.94Å
94F55.5Low64.7Low17 Ų1781.3 Ų81.38%0.07539%0.393CS..Hα-helixtrans-63.1-43.5176.6-176.4-108000111.4L46 E52 F55 D91 K96 L97 H98 V101L46-F94 HydrophobicContact CD1-CD2 3.61Å; L46-F94 HydrophobicContact CD1-CE2 4.09Å; E52-F94 HydrophobicContact CG-CE2 4.06Å; E52-F94 HydrophobicContact CG-CZ 3.97Å; F55-F94 HydrophobicContact CD1-CD1 4.26Å; F55-F94 HydrophobicContact CD1-CD2 4.5Å; F55-F94 AromaticContact CD1-CE1 3.85Å; F55-F94 HydrophobicContact CD1-CE1 3.85Å; F55-F94 HydrophobicContact CD1-CE2 4.1Å; F55-F94 AromaticContact CD1-CZ 3.76Å; F55-F94 HydrophobicContact CD1-CZ 3.76Å; F55-F94 AromaticContact CE1-CD1 3.74Å; F55-F94 HydrophobicContact CE1-CD1 3.74Å; F55-F94 HydrophobicContact CE1-CD2 4.44Å; F55-F94 AromaticContact CE1-CE1 3.74Å; F55-F94 HydrophobicContact CE1-CE1 3.74Å; F55-F94 HydrophobicContact CE1-CE2 4.43Å; F55-F94 HydrophobicContact CE1-CG 4.09Å; F55-F94 HydrophobicContact CE1-CZ 4.09Å; F55-F94 HydrophobicContact CZ-CD1 4.46Å; F55-F94 HydrophobicContact CZ-CG 4.47Å; D91-F94 HydrophobicContact CB-CB 4.2Å; D91-F94 PolarHBondContact O-N 3.08Å; D91-F94 VanDerWaalsContact O-N 3.11Å; F94-K96 VanDerWaalsContact C-N 3.31Å; F94-K96 PolarHBondContact O-N 3.4Å; F94-L97 PolarHBondContact O-N 3.14Å; F94-H98 AromaticContact CD2-CD2 3.98Å; F94-H98 AromaticContact CE2-CD2 3.92Å; F94-H98 PolarHBondContact O-N 3.09Å; F94-V101 HydrophobicContact CE1-CG1 4.18Å; F94-V101 HydrophobicContact CZ-CG2 4.36Å
95Q56.2Low63.9Low93 Ų9384.3 Ų84.344%0.43542%0.416SS..Hα-helixtrans-67.1-30.8177.4-167166.419.700112.9D91 E93 E103D91-Q95 PolarHBondContact O-N 3.49Å; E93-Q95 PolarHBondContact O-N 3.41Å; Q95-E103 PolarHBondContact NE2-OE1 2.98Å
96K56.7Low63.5Low168 Ų16886.3 Ų86.373%0.7343%0.426SS*.Hα-helixtrans-74.6-38.5173.5-76.6171.2-176.1173.40112.5T92 E93 F94T92-K96 WeakPolarHBondContact O-CB 3.2Å; T92-K96 WeakPolarHBondContact O-CD 3.42Å; T92-K96 WeakPolarHBondContact O-CG 3.47Å; T92-K96 PolarHBondContact O-N 3.46Å; E93-K96 PolarHBondContact O-N 3.24Å; F94-K96 VanDerWaalsContact C-N 3.31Å; F94-K96 PolarHBondContact O-N 3.4Å
97L53.5Low63.5Low112 Ų11283.1 Ų83.159%0.58642%0.415SS*.Hα-helixtrans-72.6-34.6179.9-79.8157.8000111.8E93 F94 P99E93-L97 WeakPolarHBondContact O-CB 3.35Å; E93-L97 WeakPolarHBondContact O-CD1 3.36Å; E93-L97 WeakPolarHBondContact O-CG 3.44Å; E93-L97 PolarHBondContact O-N 2.94Å; F94-L97 PolarHBondContact O-N 3.14Å; L97-P99 WeakPolarHBondContact O-CD 3.23Å
98H54.3Low63.8Low39 Ų3979.3 Ų79.318%0.18140%0.396CS..  trans-125.772.4-175.1-62.6-98.5000112.4E52 F94 Q100 V101E52-H98 VanDerWaalsContact CD-CE1 3.48Å; E52-H98 IonicContact OE1-CE1 3.71Å; E52-H98 IonicContact OE1-CG 3.48Å; E52-H98 IonicContact OE1-ND1 2.92Å; E52-H98 PolarHBondContact OE1-ND1 3.06Å; E52-H98 IonicContact OE2-CE1 3.11Å; E52-H98 PolarHBondContact OE2-CE1 3.23Å; E52-H98 IonicContact OE2-ND1 3.07Å; E52-H98 PolarHBondContact OE2-ND1 3.48Å; F94-H98 AromaticContact CD2-CD2 3.98Å; F94-H98 AromaticContact CE2-CD2 3.92Å; F94-H98 PolarHBondContact O-N 3.09Å; H98-Q100 PolarHBondContact O-N 3Å; H98-V101 HydrophobicContact CB-CB 4.37Å; H98-V101 HydrophobicContact CB-CG2 3.81Å; H98-V101 PolarHBondContact O-N 3.21Å; H98-V101 VanDerWaalsContact O-N 3.14Å
99P55.8Low64.3Low112 Ų11278.6 Ų78.673%0.72740%0.395SS*.THydrogen-bonded Turntrans-64-11176.824.7-32.7000113.8L97L97-P99 WeakPolarHBondContact O-CD 3.23Å
100Q49.2Very low64.8Low187 Ų18777 Ų7787%0.87439%0.389SS*.THydrogen-bonded Turntrans-84.8-18.7178-59.7-169.216.900113.3H98 K102H98-Q100 PolarHBondContact O-N 3Å; Q100-K102 PolarHBondContact O-N 3.01Å; Q100-K102 VanDerWaalsContact O-N 3.07Å
101V55.4Low65.7Low37 Ų3774.4 Ų74.422%0.22438%0.376CS..SBendtrans-75.1103.9176.51760000108E52 L56 F94 H98 E103E52-V101 WeakPolarHBondContact OE1-CG2 3.44Å; L56-V101 HydrophobicContact CD1-CG1 4.32Å; L56-V101 HydrophobicContact CD1-CG2 4.39Å; L56-V101 HydrophobicContact CD2-CG1 3.69Å; F94-V101 HydrophobicContact CE1-CG1 4.18Å; F94-V101 HydrophobicContact CZ-CG2 4.36Å; H98-V101 HydrophobicContact CB-CB 4.37Å; H98-V101 HydrophobicContact CB-CG2 3.81Å; H98-V101 PolarHBondContact O-N 3.21Å; H98-V101 VanDerWaalsContact O-N 3.14Å; V101-E103 PolarHBondContact O-N 3.34Å
102K57.4Low66.7Low193 Ų19372.4 Ų72.484%0.83937%0.366SS*.PPolyproline II helixtrans-59.7126172.9-168.5175.7-178.4-179.50108.3Q100 S104Q100-K102 PolarHBondContact O-N 3.01Å; Q100-K102 VanDerWaalsContact O-N 3.07Å; K102-S104 PolarHBondContact O-N 3.27Å
103E65.3Low68.1Low67 Ų6768.7 Ų68.731%0.31334%0.343SS..PPolyproline II helixtrans-50.2135.5175.4-61.8-171.6128.900110.4Q95 V101 K107 Y108Q95-E103 PolarHBondContact NE2-OE1 2.98Å; V101-E103 PolarHBondContact O-N 3.34Å; E103-K107 IonicContact OE1-NZ 3.88Å; E103-K107 PolarHBondContact OE1-NZ 3.45Å; E103-Y108 PolarHBondContact OE2-OH 3.23Å
104S66.6Low69.8Low24 Ų2464.7 Ų64.717%0.16832%0.324CS..PPolyproline II helixtrans-55.1129.2179.3174.30000109.4E63 K102 M106 K107E63-S104 WeakPolarHBondContact OE1-CB 3.41Å; E63-S104 PolarHBondContact OE1-OG 2.92Å; E63-S104 PolarHBondContact OE2-OG 3.05Å; K102-S104 PolarHBondContact O-N 3.27Å; S104-M106 PolarHBondContact O-N 3.01Å; S104-M106 VanDerWaalsContact O-N 3.11Å; S104-M106 PolarHBondContact OG-N 3.25Å; S104-K107 VanDerWaalsContact O-CB 3.23Å; S104-K107 WeakPolarHBondContact O-CB 3.45Å; S104-K107 PolarHBondContact O-N 2.92Å
105P69.2Low71.3Confident111 Ų11164 Ų6472%0.72132%0.321SS*.THydrogen-bonded Turntrans-60.2-22.7176.725.8-33.8000112.2
106M77.5Confident72.8Confident43 Ų4359.6 Ų59.621%0.21230%0.301CS..Hα-helixtrans-83.2-12179.1-64.3-175.817500113.6E63 L67 S104 Y108 E109 M110E63-M106 HydrophobicContact CB-CB 4.5Å; E63-M106 HydrophobicContact CB-SD 4.37Å; E63-M106 HydrophobicContact CG-CB 4.47Å; L67-M106 HydrophobicContact CD1-CE 4.42Å; L67-M106 HydrophobicContact CD1-SD 4.09Å; S104-M106 PolarHBondContact O-N 3.01Å; S104-M106 VanDerWaalsContact O-N 3.11Å; S104-M106 PolarHBondContact OG-N 3.25Å; M106-Y108 PolarHBondContact O-N 3.45Å; M106-E109 PolarHBondContact O-N 3.37Å; M106-M110 WeakPolarHBondContact O-CB 3.46Å; M106-M110 PolarHBondContact O-N 3.47Å
107K82.7Confident74.3Confident29 Ų2951.7 Ų51.713%0.12627%0.266CS..Hα-helixtrans-54-51.6178.5174.7178.8174.9-176.70111.4Y89 E103 S104 M110 I111Y89-K107 HydrophobicContact CD1-CB 4.42Å; Y89-K107 HydrophobicContact CD1-CD 3.99Å; Y89-K107 HydrophobicContact CD1-CG 3.77Å; Y89-K107 HydrophobicContact CE1-CB 3.86Å; Y89-K107 HydrophobicContact CE1-CD 4.28Å; Y89-K107 HydrophobicContact CE1-CG 3.69Å; Y89-K107 HydrophobicContact CE2-CG 4.47Å; Y89-K107 HydrophobicContact CG-CG 4.21Å; E103-K107 IonicContact OE1-NZ 3.88Å; E103-K107 PolarHBondContact OE1-NZ 3.45Å; S104-K107 VanDerWaalsContact O-CB 3.23Å; S104-K107 WeakPolarHBondContact O-CB 3.45Å; S104-K107 PolarHBondContact O-N 2.92Å; K107-M110 PolarHBondContact O-N 3.2Å; K107-I111 HydrophobicContact CG-CD1 3.95Å; K107-I111 WeakPolarHBondContact O-CD1 3.3Å; K107-I111 VanDerWaalsContact O-CG1 3.29Å; K107-I111 WeakPolarHBondContact O-CG1 3.29Å; K107-I111 PolarHBondContact O-N 3.08Å
108Y83.5Confident76Confident31 Ų3147 Ų4712%0.12224%0.242CC..Hα-helixtrans-72.4-31.2-177.1-60.4-54000113E103 M106 A112 V138 N142 I145E103-Y108 PolarHBondContact OE2-OH 3.23Å; M106-Y108 PolarHBondContact O-N 3.45Å; Y108-A112 VanDerWaalsContact O-CB 3.28Å; Y108-A112 WeakPolarHBondContact O-CB 3.41Å; Y108-A112 PolarHBondContact O-N 2.89Å; Y108-V138 HydrophobicContact CD1-CG1 3.67Å; Y108-V138 HydrophobicContact CE1-CB 4.26Å; Y108-V138 HydrophobicContact CE1-CG1 3.18Å; Y108-V138 HydrophobicContact CE1-CG2 4.08Å; Y108-V138 WeakPolarHBondContact OH-CG2 3.4Å; Y108-N142 WeakPolarHBondContact CD2-OD1 3.46Å; Y108-I145 HydrophobicContact CD1-CD1 3.65Å; Y108-I145 HydrophobicContact CE1-CD1 4.47Å; Y108-I145 HydrophobicContact CG-CD1 4.29Å
109E86.5Confident77.6Confident29 Ų2945.5 Ų45.514%0.13624%0.235CC..Hα-helixtrans-65.9-45173-173.1174.4-171.200110.7M106 I111 A112 L113 F144 S172M106-E109 PolarHBondContact O-N 3.37Å; E109-I111 PolarHBondContact O-N 2.96Å; E109-A112 PolarHBondContact O-N 2.99Å; E109-L113 HydrophobicContact CG-CD1 3.92Å; E109-L113 WeakPolarHBondContact O-CB 3.4Å; E109-L113 WeakPolarHBondContact O-CD1 3.06Å; E109-L113 VanDerWaalsContact O-CG 3.24Å; E109-L113 WeakPolarHBondContact O-CG 3.37Å; E109-L113 PolarHBondContact O-N 2.87Å; E109-F144 HydrophobicContact CB-CD2 4.45Å; E109-F144 HydrophobicContact CB-CG 4.45Å; E109-F144 HydrophobicContact CG-CD1 4.32Å; E109-F144 HydrophobicContact CG-CE1 4.32Å; E109-S172 VanDerWaalsContact OE1-CB 3.23Å; E109-S172 WeakPolarHBondContact OE1-CB 3.45Å; E109-S172 PolarHBondContact OE1-OG 3.15Å
110M86.6Confident79.1Confident3 Ų341 Ų412%0.01521%0.208CC..Hα-helixtrans-63.3-43.8178.7-169.861.468.400112.5E63 L67 F78 V82 L85 Y89 M106 K107 L113 H114E63-M110 VanDerWaalsContact O-CE 3.26Å; E63-M110 WeakPolarHBondContact O-CE 3.45Å; L67-M110 HydrophobicContact CD2-CE 4.48Å; L67-M110 HydrophobicContact CG-CE 4.29Å; F78-M110 HydrophobicContact CE2-SD 3.48Å; F78-M110 WeakPolarHBondContact CE2-SD 3.27Å; F78-M110 HydrophobicContact CZ-SD 4.04Å; V82-M110 HydrophobicContact CG2-CG 4.44Å; V82-M110 HydrophobicContact CG2-SD 4.14Å; L85-M110 HydrophobicContact CD1-CE 3.96Å; L85-M110 HydrophobicContact CD1-CG 3.74Å; L85-M110 HydrophobicContact CD1-SD 4.16Å; Y89-M110 HydrophobicContact CE2-CB 4.49Å; Y89-M110 HydrophobicContact CE2-CG 4.47Å; M106-M110 WeakPolarHBondContact O-CB 3.46Å; M106-M110 PolarHBondContact O-N 3.47Å; K107-M110 PolarHBondContact O-N 3.2Å; M110-L113 PolarHBondContact O-N 3.09Å; M110-H114 PolarHBondContact O-N 2.9Å
111I86.6Confident80.8Confident27 Ų2736.8 Ų36.814%0.13819%0.191CC..Hα-helixtrans-62.2-44.7175.2-67.7165.3000110.3Y89 K107 E109 L113 H114 L115 L134Y89-I111 HydrophobicContact CD2-CG1 4.45Å; Y89-I111 HydrophobicContact CE2-CG1 4.49Å; K107-I111 HydrophobicContact CG-CD1 3.95Å; K107-I111 WeakPolarHBondContact O-CD1 3.3Å; K107-I111 VanDerWaalsContact O-CG1 3.29Å; K107-I111 WeakPolarHBondContact O-CG1 3.29Å; K107-I111 PolarHBondContact O-N 3.08Å; E109-I111 PolarHBondContact O-N 2.96Å; I111-L113 VanDerWaalsContact C-N 3.34Å; I111-L113 PolarHBondContact O-N 3.47Å; I111-H114 WeakPolarHBondContact O-CB 3.26Å; I111-H114 PolarHBondContact O-N 3.25Å; I111-L115 HydrophobicContact CG2-CD1 4.34Å; I111-L115 WeakPolarHBondContact O-CG 3.48Å; I111-L115 PolarHBondContact O-N 3.14Å; I111-L134 HydrophobicContact CD1-CD2 4.14Å; I111-L134 HydrophobicContact CG2-CD1 3.98Å; I111-L134 HydrophobicContact CG2-CD2 4.08Å
112A88Confident82.2Confident4 Ų440.3 Ų40.33%0.03321%0.209CC..Hα-helixtrans-62.2-41.117700000112Y108 E109 H114 L115 M116 F144Y108-A112 VanDerWaalsContact O-CB 3.28Å; Y108-A112 WeakPolarHBondContact O-CB 3.41Å; Y108-A112 PolarHBondContact O-N 2.89Å; E109-A112 PolarHBondContact O-N 2.99Å; A112-H114 VanDerWaalsContact C-N 3.32Å; A112-H114 PolarHBondContact O-N 3.2Å; A112-L115 PolarHBondContact O-N 3.47Å; A112-M116 WeakPolarHBondContact O-CB 3.19Å; A112-M116 WeakPolarHBondContact O-CG 3.35Å; A112-M116 PolarHBondContact O-N 3.08Å; A112-F144 HydrophobicContact CB-CB 3.63Å; A112-F144 WeakPolarHBondContact CB-O 3.2Å
113L89Confident83.5Confident0 Ų033.2 Ų33.20%018%0.18CC..Hα-helixtrans-63.8-37.8175.2-71.2161.9000111.8L67 I70 F78 E109 M110 I111 M116 C117 F178L67-L113 HydrophobicContact CD2-CD1 3.73Å; I70-L113 HydrophobicContact CD1-CB 3.99Å; I70-L113 HydrophobicContact CD1-CD1 3.59Å; I70-L113 HydrophobicContact CD1-CD2 4.02Å; I70-L113 HydrophobicContact CD1-CG 4.07Å; F78-L113 HydrophobicContact CE2-CB 4.46Å; F78-L113 HydrophobicContact CZ-CB 3.85Å; E109-L113 HydrophobicContact CG-CD1 3.92Å; E109-L113 WeakPolarHBondContact O-CB 3.4Å; E109-L113 WeakPolarHBondContact O-CD1 3.06Å; E109-L113 VanDerWaalsContact O-CG 3.24Å; E109-L113 WeakPolarHBondContact O-CG 3.37Å; E109-L113 PolarHBondContact O-N 2.87Å; M110-L113 PolarHBondContact O-N 3.09Å; I111-L113 VanDerWaalsContact C-N 3.34Å; I111-L113 PolarHBondContact O-N 3.47Å; L113-M116 PolarHBondContact O-N 2.87Å; L113-C117 WeakPolarHBondContact O-CB 3.37Å; L113-C117 PolarHBondContact O-N 3.28Å; L113-F178 HydrophobicContact CD2-CD2 4.42Å; L113-F178 HydrophobicContact CD2-CE2 4.3Å
114H89.4Confident84.3Confident32 Ų3232.7 Ų32.715%0.14818%0.184CC..Hα-helixtrans-62.3-47.2172-178.560.1000112.1V82 M110 I111 A112 M116 C117 L118V82-H114 HydrophobicContact CG1-CB 4.02Å; V82-H114 HydrophobicContact CG2-CB 4.4Å; M110-H114 PolarHBondContact O-N 2.9Å; I111-H114 WeakPolarHBondContact O-CB 3.26Å; I111-H114 PolarHBondContact O-N 3.25Å; A112-H114 VanDerWaalsContact C-N 3.32Å; A112-H114 PolarHBondContact O-N 3.2Å; H114-M116 VanDerWaalsContact C-N 3.28Å; H114-M116 PolarHBondContact O-N 3.32Å; H114-C117 WeakPolarHBondContact O-CB 3.35Å; H114-C117 PolarHBondContact O-N 3.36Å; H114-C117 VanDerWaalsContact O-N 3.12Å; H114-L118 WeakPolarHBondContact O-CG 3.42Å; H114-L118 PolarHBondContact O-N 3.49Å
115L88.5Confident85.3Confident3 Ų337.5 Ų37.52%0.01621%0.207CC..Hα-helixtrans-58.1-42.2175.5-68.8172.3000111.5I111 A112 C117 L118 L119 I127 E130 I131 L134 I145 A148I111-L115 HydrophobicContact CG2-CD1 4.34Å; I111-L115 WeakPolarHBondContact O-CG 3.48Å; I111-L115 PolarHBondContact O-N 3.14Å; A112-L115 PolarHBondContact O-N 3.47Å; L115-C117 VanDerWaalsContact C-N 3.33Å; L115-C117 PolarHBondContact O-N 2.91Å; L115-L118 WeakPolarHBondContact O-CB 3.4Å; L115-L118 PolarHBondContact O-N 2.93Å; L115-L118 VanDerWaalsContact O-N 3.16Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 3.38Å; L115-I127 HydrophobicContact CD2-CG2 4.41Å; L115-E130 HydrophobicContact CD2-CB 3.81Å; L115-I131 HydrophobicContact CD2-CG1 4.18Å; L115-L134 HydrophobicContact CD1-CD1 4.49Å; L115-I145 HydrophobicContact CD1-CG2 4.46Å; L115-A148 HydrophobicContact CB-CB 4.06Å; L115-A148 HydrophobicContact CD1-CB 4.27Å
116M87.9Confident86.3Confident1 Ų136.8 Ų36.81%0.00519%0.192CC..Hα-helixtrans-64.7-36.4176.6-68.1-74.9-76.100112.5A112 L113 H114 L118 L119 A120 F147 A148 L151 C175 F178 L179 M182A112-M116 WeakPolarHBondContact O-CB 3.19Å; A112-M116 WeakPolarHBondContact O-CG 3.35Å; A112-M116 PolarHBondContact O-N 3.08Å; L113-M116 PolarHBondContact O-N 2.87Å; H114-M116 VanDerWaalsContact C-N 3.28Å; H114-M116 PolarHBondContact O-N 3.32Å; M116-L118 VanDerWaalsContact C-N 3.35Å; M116-L119 PolarHBondContact O-N 3.25Å; M116-L119 HydrophobicContact SD-CD1 4.09Å; M116-A120 PolarHBondContact O-N 3.01Å; M116-F147 HydrophobicContact CE-CE1 4.06Å; M116-A148 HydrophobicContact CG-CB 4.27Å; M116-A148 HydrophobicContact SD-CB 4.24Å; M116-L151 HydrophobicContact CE-CD1 3.66Å; M116-L151 HydrophobicContact SD-CD1 3.53Å; M116-L151 VanDerWaalsContact SD-CD1 3.53Å; M116-C175 HydrophobicContact CE-CB 4.26Å; M116-F178 HydrophobicContact CB-CB 4.25Å; M116-F178 HydrophobicContact CB-CD2 4.32Å; M116-F178 HydrophobicContact CB-CG 4.33Å; M116-L179 HydrophobicContact CE-CD2 3.75Å; M116-L179 HydrophobicContact CE-CG 3.92Å; M116-M182 HydrophobicContact CE-CE 3.34Å; M116-M182 HydrophobicContact SD-CE 3.94Å
117C88.4Confident86.8Confident1 Ų135 Ų351%0.00718%0.183CC..Hα-helixtrans-65.9-37.5172.9-175.30000112F78 L113 H114 L115 N121 F178F78-C117 HydrophobicContact CD1-CB 4.5Å; F78-C117 HydrophobicContact CE1-CB 4.11Å; L113-C117 WeakPolarHBondContact O-CB 3.37Å; L113-C117 PolarHBondContact O-N 3.28Å; H114-C117 WeakPolarHBondContact O-CB 3.35Å; H114-C117 PolarHBondContact O-N 3.36Å; H114-C117 VanDerWaalsContact O-N 3.12Å; L115-C117 VanDerWaalsContact C-N 3.33Å; L115-C117 PolarHBondContact O-N 2.91Å; C117-N121 PolarHBondContact O-N 3.14Å; C117-N121 PolarHBondContact O-ND2 3.05Å; C117-F178 HydrophobicContact CB-CD1 4.29Å; C117-F178 HydrophobicContact CB-CE1 3.64Å; C117-F178 HydrophobicContact CB-CZ 3.9Å
118L88.3Confident87.1Confident13 Ų1337.4 Ų37.47%0.06820%0.195CC..Hα-helixtrans-68.6-38.4175-65.7174.8000111.5H114 L115 M116 N121 N122 D123 K126 I127 E130H114-L118 WeakPolarHBondContact O-CG 3.42Å; H114-L118 PolarHBondContact O-N 3.49Å; L115-L118 WeakPolarHBondContact O-CB 3.4Å; L115-L118 PolarHBondContact O-N 2.93Å; L115-L118 VanDerWaalsContact O-N 3.16Å; M116-L118 VanDerWaalsContact C-N 3.35Å; L118-N121 PolarHBondContact O-N 3.04Å; L118-N121 VanDerWaalsContact O-N 3.16Å; L118-N122 PolarHBondContact O-N 2.92Å; L118-D123 PolarHBondContact O-N 3.44Å; L118-K126 HydrophobicContact CD1-CB 4.08Å; L118-K126 HydrophobicContact CD2-CB 4.07Å; L118-K126 HydrophobicContact CD2-CD 3.97Å; L118-I127 HydrophobicContact CB-CD1 4.21Å; L118-I127 HydrophobicContact CB-CG1 3.53Å; L118-I127 HydrophobicContact CD1-CG1 4.32Å; L118-E130 HydrophobicContact CD1-CG 4.13Å
119L87.9Confident87.3Confident9 Ų943.1 Ų43.15%0.04722%0.216CC..Hα-helixtrans-60.5-44.4173.9-77.4166.4000111.9L115 M116 N121 N122 I127 L151 E152 L155 M182L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 3.38Å; M116-L119 PolarHBondContact O-N 3.25Å; M116-L119 HydrophobicContact SD-CD1 4.09Å; L119-N121 PolarHBondContact O-N 2.85Å; L119-N122 PolarHBondContact O-N 3.49Å; L119-I127 HydrophobicContact CB-CD1 4.31Å; L119-I127 HydrophobicContact CD2-CD1 3.45Å; L119-I127 VanDerWaalsContact CD2-CD1 3.45Å; L119-I127 HydrophobicContact CG-CD1 3.66Å; L119-I127 HydrophobicContact CG-CG1 4.43Å; L119-L151 HydrophobicContact CD1-CB 4.49Å; L119-E152 HydrophobicContact CD1-CB 4.4Å; L119-E152 HydrophobicContact CD2-CB 3.77Å; L119-E152 HydrophobicContact CD2-CG 3.82Å; L119-L155 HydrophobicContact CD2-CD2 4.38Å; L119-M182 HydrophobicContact CB-SD 3.69Å
120A86.6Confident87.3Confident18 Ų1844.1 Ų44.115%0.14922%0.221CC..Hα-helixtrans-62.4-27.2176.500000113.4M116 N122 F178 I181 M182M116-A120 PolarHBondContact O-N 3.01Å; A120-N122 VanDerWaalsContact C-N 3.34Å; A120-F178 HydrophobicContact CB-CD1 4.3Å; A120-I181 HydrophobicContact CB-CG2 4.21Å; A120-M182 HydrophobicContact CB-CG 4.14Å
121N86Confident87.3Confident97 Ų9745.9 Ų45.952%0.51923%0.23SC..THydrogen-bonded Turntrans-87.91.5176-71.2-49.3000113.8C117 L118 L119 D123C117-N121 PolarHBondContact O-N 3.14Å; C117-N121 PolarHBondContact O-ND2 3.05Å; L118-N121 PolarHBondContact O-N 3.04Å; L118-N121 VanDerWaalsContact O-N 3.16Å; L119-N121 PolarHBondContact O-N 2.85Å; N121-D123 VanDerWaalsContact C-N 3.29Å; N121-D123 PolarHBondContact O-N 3.27Å
122N83.5Confident87.3Confident112 Ų11252.4 Ų52.460%0.59926%0.26SS*.THydrogen-bonded Turntrans56.134.8-179.3-157.729.6000114.6L118 L119 A120L118-N122 PolarHBondContact O-N 2.92Å; L119-N122 PolarHBondContact O-N 3.49Å; A120-N122 VanDerWaalsContact C-N 3.34Å
123D84.8Confident87Confident43 Ų4357 Ų5723%0.2328%0.276CS..  trans-103.879.1178.2-166.8-26.1000111.1L118 N121 L125 K126 I127L118-D123 PolarHBondContact O-N 3.44Å; N121-D123 VanDerWaalsContact C-N 3.29Å; N121-D123 PolarHBondContact O-N 3.27Å; D123-L125 VanDerWaalsContact C-N 3.27Å; D123-L125 PolarHBondContact O-N 3.21Å; D123-K126 HydrophobicContact CB-CB 4.37Å; D123-K126 HydrophobicContact CB-CD 4.42Å; D123-K126 PolarHBondContact O-N 3.24Å; D123-K126 PolarHBondContact OD1-N 3.1Å; D123-K126 VanDerWaalsContact OD1-N 3.08Å; D123-K126 WeakPolarHBondContact OD2-CD 3.31Å; D123-K126 WeakPolarHBondContact OD2-CE 3.44Å; D123-K126 WeakPolarHBondContact OD2-CG 3.4Å; D123-K126 IonicContact OD2-NZ 2.68Å; D123-K126 PolarHBondContact OD2-NZ 3.36Å; D123-I127 WeakPolarHBondContact O-CD1 3.13Å; D123-I127 WeakPolarHBondContact O-CG1 3.49Å; D123-I127 PolarHBondContact O-N 3.36Å
124S82.6Confident86.7Confident57 Ų5758.4 Ų58.440%0.39928%0.284SS..Hα-helixtrans-57.6-37.6-179.457.40000112.9K126 I127 H128S124-K126 PolarHBondContact O-N 3.16Å; S124-I127 PolarHBondContact O-N 2.98Å; S124-I127 VanDerWaalsContact O-N 3.16Å; S124-H128 PolarHBondContact O-CD2 2.65Å; S124-H128 PolarHBondContact O-N 3.3Å
125L87.9Confident86.3Confident124 Ų12460.8 Ų60.865%0.64930%0.302SS*.Hα-helixtrans-64.9-36.8-179.2-65.1177.7000112.6D123 R129D123-L125 VanDerWaalsContact C-N 3.27Å; D123-L125 PolarHBondContact O-N 3.21Å; L125-R129 WeakPolarHBondContact O-CG 3.13Å; L125-R129 PolarHBondContact O-N 2.75Å; L125-R129 PolarHBondContact O-NE 2.96Å; L125-R129 VanDerWaalsContact O-NE 3.14Å
126K89.6Confident85.7Confident96 Ų9668.6 Ų68.642%0.41734%0.336SS..Hα-helixtrans-69.6-38.3173.1-76.8-177.9-169.8133.60111.7L118 D123 S124 R129 E130L118-K126 HydrophobicContact CD1-CB 4.08Å; L118-K126 HydrophobicContact CD2-CB 4.07Å; L118-K126 HydrophobicContact CD2-CD 3.97Å; D123-K126 HydrophobicContact CB-CB 4.37Å; D123-K126 HydrophobicContact CB-CD 4.42Å; D123-K126 PolarHBondContact O-N 3.24Å; D123-K126 PolarHBondContact OD1-N 3.1Å; D123-K126 VanDerWaalsContact OD1-N 3.08Å; D123-K126 WeakPolarHBondContact OD2-CD 3.31Å; D123-K126 WeakPolarHBondContact OD2-CE 3.44Å; D123-K126 WeakPolarHBondContact OD2-CG 3.4Å; D123-K126 IonicContact OD2-NZ 2.68Å; D123-K126 PolarHBondContact OD2-NZ 3.36Å; S124-K126 PolarHBondContact O-N 3.16Å; K126-R129 VanDerWaalsContact CG-NH2 3.29Å; K126-R129 PolarHBondContact O-N 3Å; K126-E130 PolarHBondContact O-N 3.41Å
127I88.8Confident85.1Confident5 Ų575.8 Ų75.83%0.02637%0.37CS..Hα-helixtrans-62.9-51-179.5-64.7156.9000110.7L115 L118 L119 D123 S124 R129 E130 I131 E152L115-I127 HydrophobicContact CD2-CG2 4.41Å; L118-I127 HydrophobicContact CB-CD1 4.21Å; L118-I127 HydrophobicContact CB-CG1 3.53Å; L118-I127 HydrophobicContact CD1-CG1 4.32Å; L119-I127 HydrophobicContact CB-CD1 4.31Å; L119-I127 HydrophobicContact CD2-CD1 3.45Å; L119-I127 VanDerWaalsContact CD2-CD1 3.45Å; L119-I127 HydrophobicContact CG-CD1 3.66Å; L119-I127 HydrophobicContact CG-CG1 4.43Å; D123-I127 WeakPolarHBondContact O-CD1 3.13Å; D123-I127 WeakPolarHBondContact O-CG1 3.49Å; D123-I127 PolarHBondContact O-N 3.36Å; S124-I127 PolarHBondContact O-N 2.98Å; S124-I127 VanDerWaalsContact O-N 3.16Å; I127-R129 VanDerWaalsContact C-N 3.29Å; I127-R129 PolarHBondContact O-N 3.23Å; I127-E130 PolarHBondContact O-N 3.12Å; I127-E130 VanDerWaalsContact O-N 3.13Å; I127-I131 HydrophobicContact CG2-CD1 3.56Å; I127-I131 HydrophobicContact CG2-CG1 4.26Å; I127-I131 WeakPolarHBondContact O-CG1 3.48Å; I127-I131 PolarHBondContact O-N 3.37Å; I127-E152 HydrophobicContact CG2-CG 3.97Å
128H87.9Confident84.5Confident80 Ų8076.8 Ų76.837%0.3738%0.376SS..Hα-helixtrans-61.8-37.1-179.3-63.6-52.1000112.5S124 I131 E132 E152S124-H128 PolarHBondContact O-CD2 2.65Å; S124-H128 PolarHBondContact O-N 3.3Å; H128-I131 PolarHBondContact O-N 2.96Å; H128-E132 WeakPolarHBondContact O-CB 3.49Å; H128-E132 PolarHBondContact O-N 2.84Å; H128-E152 IonicContact CE1-OE1 3.15Å; H128-E152 PolarHBondContact CE1-OE1 3.16Å; H128-E152 IonicContact CE1-OE2 3.79Å; H128-E152 IonicContact NE2-OE1 3.62Å
129R89Confident83.8Confident152 Ų15277.1 Ų77.157%0.57438%0.38SS*.Hα-helixtrans-64.4-40.9174.3-75.1-174.9-68.2171.7-3.9113L125 K126 I127 R133L125-R129 WeakPolarHBondContact O-CG 3.13Å; L125-R129 PolarHBondContact O-N 2.75Å; L125-R129 PolarHBondContact O-NE 2.96Å; L125-R129 VanDerWaalsContact O-NE 3.14Å; K126-R129 VanDerWaalsContact CG-NH2 3.29Å; K126-R129 PolarHBondContact O-N 3Å; I127-R129 VanDerWaalsContact C-N 3.29Å; I127-R129 PolarHBondContact O-N 3.23Å; R129-R133 PolarHBondContact O-N 3.07Å
130E85.7Confident83.2Confident49 Ų4982.3 Ų82.323%0.22941%0.407CS..Hα-helixtrans-71.8-33.3177.3-72.2-60.514800111.9L115 L118 K126 I127 R133L115-E130 HydrophobicContact CD2-CB 3.81Å; L118-E130 HydrophobicContact CD1-CG 4.13Å; K126-E130 PolarHBondContact O-N 3.41Å; I127-E130 PolarHBondContact O-N 3.12Å; I127-E130 VanDerWaalsContact O-N 3.13Å; E130-R133 PolarHBondContact O-N 3.36Å; E130-R133 IonicContact OE1-NH1 2.89Å; E130-R133 IonicContact OE2-NH1 2.65Å
131I86.6Confident83Confident40 Ų4087 Ų8721%0.20543%0.43CS..Hα-helixtrans-67.4-42.8173.6-66.8167.9000111.1L115 I127 H128 R133 L134 V149L115-I131 HydrophobicContact CD2-CG1 4.18Å; I127-I131 HydrophobicContact CG2-CD1 3.56Å; I127-I131 HydrophobicContact CG2-CG1 4.26Å; I127-I131 WeakPolarHBondContact O-CG1 3.48Å; I127-I131 PolarHBondContact O-N 3.37Å; H128-I131 PolarHBondContact O-N 2.96Å; I131-R133 PolarHBondContact O-N 3.39Å; I131-L134 PolarHBondContact O-N 3.02Å; I131-V149 HydrophobicContact CD1-CG2 4.06Å; I131-V149 HydrophobicContact CG1-CG2 4.39Å
132E86Confident82.8Confident164 Ų16484 Ų8477%0.76641%0.414SS*.Hα-helixtrans-60.2-29.9179.4-174.8179-174.600112.7H128 L134H128-E132 WeakPolarHBondContact O-CB 3.49Å; H128-E132 PolarHBondContact O-N 2.84Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 3.5Å
133R83.6Confident82.9Confident100 Ų10082.6 Ų82.638%0.37741%0.411SS..THydrogen-bonded Turntrans-72-22.9177.8-172.4-178.8-173.9156.16.7113.5M90 R129 E130 I131M90-R133 PolarHBondContact SD-NE 2.87Å; M90-R133 PolarHBondContact SD-NH2 3.24Å; R129-R133 PolarHBondContact O-N 3.07Å; E130-R133 PolarHBondContact O-N 3.36Å; E130-R133 IonicContact OE1-NH1 2.89Å; E130-R133 IonicContact OE2-NH1 2.65Å; I131-R133 PolarHBondContact O-N 3.39Å
134L82.3Confident82.8Confident30 Ų3083 Ų8316%0.15741%0.411CS..SBendtrans-82.1140.4-176.5-66167.6000111I111 L115 I131 E132 F136 I145I111-L134 HydrophobicContact CD1-CD2 4.14Å; I111-L134 HydrophobicContact CG2-CD1 3.98Å; I111-L134 HydrophobicContact CG2-CD2 4.08Å; L115-L134 HydrophobicContact CD1-CD1 4.49Å; I131-L134 PolarHBondContact O-N 3.02Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 3.5Å; L134-F136 PolarHBondContact O-N 3.38Å; L134-I145 HydrophobicContact CD1-CD1 4.22Å; L134-I145 HydrophobicContact CD1-CG2 4.15Å
135P79.9Confident82.9Confident82 Ų8280.2 Ų80.253%0.53239%0.392SS..  trans-57.2136.1170.9-22.732.8000111.1E137 V138 A139P135-E137 VanDerWaalsContact C-N 3.25Å; P135-E137 PolarHBondContact O-N 3.49Å; P135-V138 HydrophobicContact CB-CB 4.25Å; P135-V138 HydrophobicContact CB-CG2 4.16Å; P135-V138 HydrophobicContact CG-CG2 4.33Å; P135-V138 WeakPolarHBondContact O-CB 3.48Å; P135-V138 PolarHBondContact O-N 3.38Å; P135-A139 PolarHBondContact O-N 3.13Å; P135-A139 VanDerWaalsContact O-N 3.09Å
136F76.2Confident82.8Confident168 Ų16875.4 Ų75.474%0.73737%0.368SS*.Hα-helixtrans-56.5-38.9-176.6-175.3-98000113L134 V138 A139 L140L134-F136 PolarHBondContact O-N 3.38Å; F136-V138 VanDerWaalsContact C-N 3.31Å; F136-V138 PolarHBondContact O-N 2.89Å; F136-A139 PolarHBondContact O-N 3.03Å; F136-L140 PolarHBondContact O-N 3.32Å; F136-L140 VanDerWaalsContact O-N 3.17Å
137E76.5Confident82.7Confident151 Ų15172 Ų7271%0.70635%0.353SS*.Hα-helixtrans-61.9-39.8177.9-61.8-176177.100112.3P135 N141P135-E137 VanDerWaalsContact C-N 3.25Å; P135-E137 PolarHBondContact O-N 3.49Å; E137-N141 VanDerWaalsContact O-CB 3.24Å; E137-N141 WeakPolarHBondContact O-CB 3.31Å; E137-N141 VanDerWaalsContact O-CG 3.27Å; E137-N141 PolarHBondContact O-N 2.93Å; E137-N141 VanDerWaalsContact O-N 3.08Å; E137-N141 PolarHBondContact O-ND2 2.97Å
138V75.7Confident82.7Confident23 Ų2371.9 Ų71.914%0.13935%0.353CS..Hα-helixtrans-69-40.4179161.30000110.6Y108 P135 F136 L140 N142 I145Y108-V138 HydrophobicContact CD1-CG1 3.67Å; Y108-V138 HydrophobicContact CE1-CB 4.26Å; Y108-V138 HydrophobicContact CE1-CG1 3.18Å; Y108-V138 HydrophobicContact CE1-CG2 4.08Å; Y108-V138 WeakPolarHBondContact OH-CG2 3.4Å; P135-V138 HydrophobicContact CB-CB 4.25Å; P135-V138 HydrophobicContact CB-CG2 4.16Å; P135-V138 HydrophobicContact CG-CG2 4.33Å; P135-V138 WeakPolarHBondContact O-CB 3.48Å; P135-V138 PolarHBondContact O-N 3.38Å; F136-V138 VanDerWaalsContact C-N 3.31Å; F136-V138 PolarHBondContact O-N 2.89Å; V138-L140 PolarHBondContact O-N 3.09Å; V138-N142 WeakPolarHBondContact CG1-ND2 3.31Å; V138-N142 VanDerWaalsContact O-CB 3.32Å; V138-N142 WeakPolarHBondContact O-CB 3.46Å; V138-N142 PolarHBondContact O-N 3.35Å; V138-N142 PolarHBondContact O-ND2 2.99Å; V138-I145 HydrophobicContact CG1-CD1 3.65Å
139A73.2Confident82.7Confident19 Ų1970.1 Ų70.116%0.15735%0.348CS..Hα-helixtrans-65.3-38.1-179.400000112.4P135 F136 I145P135-A139 PolarHBondContact O-N 3.13Å; P135-A139 VanDerWaalsContact O-N 3.09Å; F136-A139 PolarHBondContact O-N 3.03Å; A139-I145 HydrophobicContact CB-CG2 4.33Å
140L75.6Confident82.6Confident118 Ų11868.4 Ų68.462%0.61835%0.345SS*.Hα-helixtrans-80.7-40.9-178.8-170.166.4000112.9F136 V138F136-L140 PolarHBondContact O-N 3.32Å; F136-L140 VanDerWaalsContact O-N 3.17Å; V138-L140 PolarHBondContact O-N 3.09Å
141N80.8Confident82.7Confident118 Ų11866.1 Ų66.163%0.63133%0.334SS*.Hα-helixtrans-87.2-25.9-169.4-66.3-35.2000113.7E137 P143E137-N141 VanDerWaalsContact O-CB 3.24Å; E137-N141 WeakPolarHBondContact O-CB 3.31Å; E137-N141 VanDerWaalsContact O-CG 3.27Å; E137-N141 PolarHBondContact O-N 2.93Å; E137-N141 VanDerWaalsContact O-N 3.08Å; E137-N141 PolarHBondContact O-ND2 2.97Å; N141-P143 WeakPolarHBondContact O-CD 3.49Å
142N83.2Confident82.8Confident33 Ų3365.2 Ų65.218%0.17633%0.329CS..  trans-80.2124.1-177.8-75.9-68.5000111.5Y108 V138 F144 I145 S146Y108-N142 WeakPolarHBondContact CD2-OD1 3.46Å; V138-N142 WeakPolarHBondContact CG1-ND2 3.31Å; V138-N142 VanDerWaalsContact O-CB 3.32Å; V138-N142 WeakPolarHBondContact O-CB 3.46Å; V138-N142 PolarHBondContact O-N 3.35Å; V138-N142 PolarHBondContact O-ND2 2.99Å; N142-F144 VanDerWaalsContact C-N 3.25Å; N142-F144 PolarHBondContact O-N 3.36Å; N142-I145 HydrophobicContact CB-CB 4.36Å; N142-I145 HydrophobicContact CB-CD1 4.27Å; N142-I145 HydrophobicContact CB-CG1 4.44Å; N142-I145 PolarHBondContact O-N 2.91Å; N142-S146 WeakPolarHBondContact O-CB 3.29Å; N142-S146 PolarHBondContact O-N 3.25Å; N142-S146 PolarHBondContact O-OG 3Å
143P84.4Confident82.9Confident82 Ų8262.4 Ų62.453%0.53232%0.316SS..Hα-helixtrans-58-35.9178.9-26.635.3000113.5N141 S146 F147N141-P143 WeakPolarHBondContact O-CD 3.49Å; P143-S146 WeakPolarHBondContact CA-OG 3.42Å; P143-S146 PolarHBondContact O-OG 3.32Å; P143-F147 WeakPolarHBondContact O-CB 3.14Å; P143-F147 PolarHBondContact O-N 3.26Å; P143-F147 VanDerWaalsContact O-N 3.1Å
144F83.7Confident83.1Confident51 Ų5158.3 Ų58.322%0.22430%0.302CS..Hα-helixtrans-70.6-47.1-178.2-58.9-73.2000112.7E109 A112 N142 F147 A148 P171E109-F144 HydrophobicContact CB-CD2 4.45Å; E109-F144 HydrophobicContact CB-CG 4.45Å; E109-F144 HydrophobicContact CG-CD1 4.32Å; E109-F144 HydrophobicContact CG-CE1 4.32Å; A112-F144 HydrophobicContact CB-CB 3.63Å; A112-F144 WeakPolarHBondContact CB-O 3.2Å; N142-F144 VanDerWaalsContact C-N 3.25Å; N142-F144 PolarHBondContact O-N 3.36Å; F144-F147 PolarHBondContact O-N 3.05Å; F144-A148 PolarHBondContact O-N 3.39Å; F144-P171 HydrophobicContact CD1-CB 3.73Å; F144-P171 HydrophobicContact CD1-CG 3.87Å; F144-P171 HydrophobicContact CE1-CB 3.83Å; F144-P171 HydrophobicContact CE1-CG 4.38Å
145I85Confident83.4Confident0 Ų059.2 Ų59.20%031%0.307CS..Hα-helixtrans-71.6-46.5-179.1-64168.1000110Y108 L115 L134 V138 A139 N142 F147 A148 V149Y108-I145 HydrophobicContact CD1-CD1 3.65Å; Y108-I145 HydrophobicContact CE1-CD1 4.47Å; Y108-I145 HydrophobicContact CG-CD1 4.29Å; L115-I145 HydrophobicContact CD1-CG2 4.46Å; L134-I145 HydrophobicContact CD1-CD1 4.22Å; L134-I145 HydrophobicContact CD1-CG2 4.15Å; V138-I145 HydrophobicContact CG1-CD1 3.65Å; A139-I145 HydrophobicContact CB-CG2 4.33Å; N142-I145 HydrophobicContact CB-CB 4.36Å; N142-I145 HydrophobicContact CB-CD1 4.27Å; N142-I145 HydrophobicContact CB-CG1 4.44Å; N142-I145 PolarHBondContact O-N 2.91Å; I145-F147 PolarHBondContact O-N 3.13Å; I145-A148 PolarHBondContact O-N 3.37Å; I145-V149 HydrophobicContact CG2-CG2 4.15Å; I145-V149 WeakPolarHBondContact O-CG2 3.39Å; I145-V149 PolarHBondContact O-N 3.02Å
146S86.1Confident83.7Confident23 Ų2361.5 Ų61.516%0.16131%0.312CS..Hα-helixtrans-60.3-31.4177.762.20000112.4N142 P143 K150N142-S146 WeakPolarHBondContact O-CB 3.29Å; N142-S146 PolarHBondContact O-N 3.25Å; N142-S146 PolarHBondContact O-OG 3Å; P143-S146 WeakPolarHBondContact CA-OG 3.42Å; P143-S146 PolarHBondContact O-OG 3.32Å; S146-K150 WeakPolarHBondContact O-CB 3.4Å; S146-K150 WeakPolarHBondContact O-CD 3.47Å; S146-K150 WeakPolarHBondContact O-CG 3.34Å; S146-K150 PolarHBondContact O-N 3.35Å
147F87.6Confident84.2Confident24 Ų2458.3 Ų58.311%0.10531%0.306CS..Hα-helixtrans-64.2-49.5171.3-178.7-103000112.2M116 P143 F144 I145 V149 K150 L151 S166 P171 L179M116-F147 HydrophobicContact CE-CE1 4.06Å; P143-F147 WeakPolarHBondContact O-CB 3.14Å; P143-F147 PolarHBondContact O-N 3.26Å; P143-F147 VanDerWaalsContact O-N 3.1Å; F144-F147 PolarHBondContact O-N 3.05Å; I145-F147 PolarHBondContact O-N 3.13Å; F147-V149 VanDerWaalsContact C-N 3.35Å; F147-V149 PolarHBondContact O-N 3.49Å; F147-K150 PolarHBondContact O-N 3.18Å; F147-L151 HydrophobicContact CD1-CD1 3.75Å; F147-L151 HydrophobicContact CD1-CG 4.47Å; F147-L151 HydrophobicContact CE1-CD1 3.29Å; F147-L151 HydrophobicContact CE1-CG 4.21Å; F147-L151 HydrophobicContact CE2-CD1 4.38Å; F147-L151 HydrophobicContact CG-CD1 4.48Å; F147-L151 HydrophobicContact CZ-CD1 3.66Å; F147-L151 HydrophobicContact CZ-CD2 4.43Å; F147-L151 HydrophobicContact CZ-CG 4.25Å; F147-L151 WeakPolarHBondContact O-CG 3.47Å; F147-L151 PolarHBondContact O-N 3.26Å; F147-S166 VanDerWaalsContact CE2-O 3.31Å; F147-S166 WeakPolarHBondContact CE2-O 3.3Å; F147-P171 HydrophobicContact CB-CG 3.95Å; F147-P171 HydrophobicContact CD1-CG 3.84Å; F147-P171 HydrophobicContact CD2-CG 4.41Å; F147-P171 HydrophobicContact CE1-CG 4.42Å; F147-P171 HydrophobicContact CG-CG 3.82Å; F147-L179 HydrophobicContact CZ-CD2 4.49Å
148A87.4Confident84.7Confident3 Ų352.5 Ų52.53%0.02529%0.287CS..Hα-helixtrans-61.3-41.9177.900000112.1L115 M116 F144 I145 L151 E152L115-A148 HydrophobicContact CB-CB 4.06Å; L115-A148 HydrophobicContact CD1-CB 4.27Å; M116-A148 HydrophobicContact CG-CB 4.27Å; M116-A148 HydrophobicContact SD-CB 4.24Å; F144-A148 PolarHBondContact O-N 3.39Å; I145-A148 PolarHBondContact O-N 3.37Å; A148-L151 PolarHBondContact O-N 3Å; A148-E152 PolarHBondContact O-N 3.37Å
149V87.8Confident85.2Confident42 Ų4252.7 Ų52.726%0.25529%0.291SS..Hα-helixtrans-64.6-43.8177.21760000111.5I131 I145 F147 L151 E152 E153I131-V149 HydrophobicContact CD1-CG2 4.06Å; I131-V149 HydrophobicContact CG1-CG2 4.39Å; I145-V149 HydrophobicContact CG2-CG2 4.15Å; I145-V149 WeakPolarHBondContact O-CG2 3.39Å; I145-V149 PolarHBondContact O-N 3.02Å; F147-V149 VanDerWaalsContact C-N 3.35Å; F147-V149 PolarHBondContact O-N 3.49Å; V149-L151 VanDerWaalsContact C-N 3.29Å; V149-L151 PolarHBondContact O-N 3Å; V149-E152 WeakPolarHBondContact O-CB 3.45Å; V149-E152 PolarHBondContact O-N 2.91Å; V149-E153 PolarHBondContact O-N 3.46Å
150K87.4Confident85.7Confident116 Ų11654.7 Ų54.750%0.50430%0.295SS..Hα-helixtrans-63.1-36.3176.1-77170.6-177172.70112.5S146 F147 C154S146-K150 WeakPolarHBondContact O-CB 3.4Å; S146-K150 WeakPolarHBondContact O-CD 3.47Å; S146-K150 WeakPolarHBondContact O-CG 3.34Å; S146-K150 PolarHBondContact O-N 3.35Å; F147-K150 PolarHBondContact O-N 3.18Å; K150-C154 WeakPolarHBondContact O-CB 3.47Å; K150-C154 PolarHBondContact O-N 2.98Å; K150-C154 PolarHBondContact O-SG 3.05Å
151L88.3Confident86.1Confident2 Ų253.5 Ų53.51%0.0130%0.296CS..Hα-helixtrans-66.8-42.1175.9-72.7176.2000111.5M116 L119 F147 A148 V149 C154 L155 F163 L179M116-L151 HydrophobicContact CE-CD1 3.66Å; M116-L151 HydrophobicContact SD-CD1 3.53Å; M116-L151 VanDerWaalsContact SD-CD1 3.53Å; L119-L151 HydrophobicContact CD1-CB 4.49Å; F147-L151 HydrophobicContact CD1-CD1 3.75Å; F147-L151 HydrophobicContact CD1-CG 4.47Å; F147-L151 HydrophobicContact CE1-CD1 3.29Å; F147-L151 HydrophobicContact CE1-CG 4.21Å; F147-L151 HydrophobicContact CE2-CD1 4.38Å; F147-L151 HydrophobicContact CG-CD1 4.48Å; F147-L151 HydrophobicContact CZ-CD1 3.66Å; F147-L151 HydrophobicContact CZ-CD2 4.43Å; F147-L151 HydrophobicContact CZ-CG 4.25Å; F147-L151 WeakPolarHBondContact O-CG 3.47Å; F147-L151 PolarHBondContact O-N 3.26Å; A148-L151 PolarHBondContact O-N 3Å; V149-L151 VanDerWaalsContact C-N 3.29Å; V149-L151 PolarHBondContact O-N 3Å; L151-C154 PolarHBondContact O-N 3.12Å; L151-L155 WeakPolarHBondContact O-CB 3.42Å; L151-L155 PolarHBondContact O-N 3.39Å; L151-F163 HydrophobicContact CD2-CD2 3.6Å; L151-F163 HydrophobicContact CD2-CE2 3.67Å; L151-L179 HydrophobicContact CD1-CD2 3.99Å
152E88.2Confident86.3Confident20 Ų2054.2 Ų54.29%0.09329%0.294CS..Hα-helixtrans-59.1-49.5173.3-169.7-79.2144.600111.3L119 I127 H128 A148 V149 C154 L155 M156L119-E152 HydrophobicContact CD1-CB 4.4Å; L119-E152 HydrophobicContact CD2-CB 3.77Å; L119-E152 HydrophobicContact CD2-CG 3.82Å; I127-E152 HydrophobicContact CG2-CG 3.97Å; H128-E152 IonicContact CE1-OE1 3.15Å; H128-E152 PolarHBondContact CE1-OE1 3.16Å; H128-E152 IonicContact CE1-OE2 3.79Å; H128-E152 IonicContact NE2-OE1 3.62Å; A148-E152 PolarHBondContact O-N 3.37Å; V149-E152 WeakPolarHBondContact O-CB 3.45Å; V149-E152 PolarHBondContact O-N 2.91Å; E152-C154 VanDerWaalsContact C-N 3.33Å; E152-C154 PolarHBondContact O-N 3.12Å; E152-L155 WeakPolarHBondContact O-CB 3.46Å; E152-L155 PolarHBondContact O-N 3.27Å; E152-M156 PolarHBondContact O-N 3.17Å
153E88.8Confident86.4Confident106 Ų10652.8 Ų52.850%0.49529%0.286SS..Hα-helixtrans-58.2-44.5176.8-173.7-168.5165.400111.6V149 L155 M156 V157V149-E153 PolarHBondContact O-N 3.46Å; E153-L155 VanDerWaalsContact C-N 3.29Å; E153-L155 PolarHBondContact O-N 3.21Å; E153-M156 PolarHBondContact O-N 2.88Å; E153-V157 HydrophobicContact CG-CG2 4.41Å; E153-V157 WeakPolarHBondContact O-CB 3.32Å; E153-V157 VanDerWaalsContact O-CG2 3.3Å; E153-V157 WeakPolarHBondContact O-CG2 3.45Å; E153-V157 PolarHBondContact O-N 3.49Å
154C87.9Confident86.3Confident13 Ų1350 Ų509%0.08827%0.266CS..Hα-helixtrans-61.9-37.8177.3-70.70000112.1K150 L151 E152 G158 A159 F163K150-C154 WeakPolarHBondContact O-CB 3.47Å; K150-C154 PolarHBondContact O-N 2.98Å; K150-C154 PolarHBondContact O-SG 3.05Å; L151-C154 PolarHBondContact O-N 3.12Å; E152-C154 VanDerWaalsContact C-N 3.33Å; E152-C154 PolarHBondContact O-N 3.12Å; C154-G158 PolarHBondContact O-N 2.81Å; C154-G158 VanDerWaalsContact O-N 3.12Å; C154-A159 PolarHBondContact O-N 3.42Å; C154-F163 HydrophobicContact CB-CB 4.27Å
155L87.3Confident86.3Confident49 Ų4952.7 Ų52.726%0.25728%0.281SS..Hα-helixtrans-69.8-44.1177.7-176.164000111.1L119 L151 E152 E153 G158 I186L119-L155 HydrophobicContact CD2-CD2 4.38Å; L151-L155 WeakPolarHBondContact O-CB 3.42Å; L151-L155 PolarHBondContact O-N 3.39Å; E152-L155 WeakPolarHBondContact O-CB 3.46Å; E152-L155 PolarHBondContact O-N 3.27Å; E153-L155 VanDerWaalsContact C-N 3.29Å; E153-L155 PolarHBondContact O-N 3.21Å; L155-G158 PolarHBondContact O-N 3.48Å; L155-I186 HydrophobicContact CD1-CD1 4.03Å; L155-I186 HydrophobicContact CD1-CG1 3.77Å
156M86.9Confident86.1Confident130 Ų13054.1 Ų54.164%0.6429%0.291SS*.Hα-helixtrans-64.5-42.5179.2-172.8-176.770.700112.3E152 E153 G158E152-M156 PolarHBondContact O-N 3.17Å; E153-M156 PolarHBondContact O-N 2.88Å; M156-G158 VanDerWaalsContact C-N 3.29Å
157V87.5Confident85.8Confident101 Ų10154.3 Ų54.361%0.61229%0.291SS*.Hα-helixtrans-75.7-19.5178.8176.80000111.9E153 A159E153-V157 HydrophobicContact CG-CG2 4.41Å; E153-V157 WeakPolarHBondContact O-CB 3.32Å; E153-V157 VanDerWaalsContact O-CG2 3.3Å; E153-V157 WeakPolarHBondContact O-CG2 3.45Å; E153-V157 PolarHBondContact O-N 3.49Å; V157-A159 VanDerWaalsContact C-N 3.32Å; V157-A159 HydrophobicContact CB-CB 4.45Å; V157-A159 HydrophobicContact CG1-CB 4.18Å
158G85.4Confident85.2Confident29 Ų2956.5 Ų56.530%0.29931%0.314SS..THydrogen-bonded Turntrans74.522.5-171.400000113.2C154 L155 M156 Y160C154-G158 PolarHBondContact O-N 2.81Å; C154-G158 VanDerWaalsContact O-N 3.12Å; L155-G158 PolarHBondContact O-N 3.48Å; M156-G158 VanDerWaalsContact C-N 3.29Å; G158-Y160 VanDerWaalsContact O-CD2 3.26Å; G158-Y160 WeakPolarHBondContact O-CD2 3.35Å; G158-Y160 PolarHBondContact O-N 3.31Å
159A87.2Confident84.9Confident27 Ų2762.1 Ų62.122%0.22334%0.344CS..  trans-82.261.3-179.400000111.7C154 V157 S161 K162 F163C154-A159 PolarHBondContact O-N 3.42Å; V157-A159 VanDerWaalsContact C-N 3.32Å; V157-A159 HydrophobicContact CB-CB 4.45Å; V157-A159 HydrophobicContact CG1-CB 4.18Å; A159-S161 VanDerWaalsContact C-N 3.27Å; A159-S161 PolarHBondContact O-N 3.47Å; A159-K162 HydrophobicContact CB-CD 4.29Å; A159-K162 WeakPolarHBondContact O-CB 3.31Å; A159-K162 PolarHBondContact O-N 3.39Å; A159-F163 PolarHBondContact O-N 3.31Å
160Y84.2Confident84.4Confident62 Ų6262.6 Ų62.624%0.24335%0.347CS..Hα-helixtrans-60-31.2-171-55.9-61.6000114.7G158 K162 F163 F164 I186 I190G158-Y160 VanDerWaalsContact O-CD2 3.26Å; G158-Y160 WeakPolarHBondContact O-CD2 3.35Å; G158-Y160 PolarHBondContact O-N 3.31Å; Y160-K162 VanDerWaalsContact C-N 3.29Å; Y160-K162 PolarHBondContact O-N 2.96Å; Y160-F163 WeakPolarHBondContact O-CB 3.08Å; Y160-F163 PolarHBondContact O-N 3Å; Y160-F163 VanDerWaalsContact O-N 3.13Å; Y160-F164 WeakPolarHBondContact O-CD2 3.35Å; Y160-F164 PolarHBondContact O-N 2.94Å; Y160-I186 HydrophobicContact CD1-CG2 3.38Å; Y160-I186 HydrophobicContact CE1-CG1 4.43Å; Y160-I186 HydrophobicContact CE1-CG2 3.76Å; Y160-I186 HydrophobicContact CG-CG2 4.18Å; Y160-I190 HydrophobicContact CD1-CD1 4.1Å; Y160-I190 HydrophobicContact CD1-CG1 4.06Å; Y160-I190 HydrophobicContact CD2-CD1 3.86Å; Y160-I190 HydrophobicContact CD2-CG1 3.35Å; Y160-I190 HydrophobicContact CE1-CG1 4.2Å; Y160-I190 HydrophobicContact CE2-CD1 4.44Å; Y160-I190 HydrophobicContact CE2-CG1 3.51Å; Y160-I190 HydrophobicContact CG-CD1 3.64Å; Y160-I190 HydrophobicContact CG-CG1 3.63Å
161S83Confident83.9Confident92 Ų9259.5 Ų59.564%0.64334%0.339SS*.Hα-helixtrans-58-42.9174.6-178.10000111.7A159 F164 I165A159-S161 VanDerWaalsContact C-N 3.27Å; A159-S161 PolarHBondContact O-N 3.47Å; S161-F164 PolarHBondContact O-N 2.99Å; S161-I165 WeakPolarHBondContact O-CG1 3.37Å; S161-I165 PolarHBondContact O-N 3.47Å
162K84.5Confident83.4Confident134 Ų13459.6 Ų59.658%0.58334%0.34SS*.Hα-helixtrans-68.5-37.9175.7-66.3-177.1-179.9176.60111.5A159 Y160 F164 I165 S166A159-K162 HydrophobicContact CB-CD 4.29Å; A159-K162 WeakPolarHBondContact O-CB 3.31Å; A159-K162 PolarHBondContact O-N 3.39Å; Y160-K162 VanDerWaalsContact C-N 3.29Å; Y160-K162 PolarHBondContact O-N 2.96Å; K162-F164 PolarHBondContact O-N 3.43Å; K162-I165 PolarHBondContact O-N 3.49Å; K162-S166 PolarHBondContact O-N 3.08Å; K162-S166 PolarHBondContact O-OG 3.06Å
163F85.1Confident83Confident2 Ų263.5 Ų63.51%0.00937%0.367CS..Hα-helixtrans-56.7-50175.7178.7-91.7000111.2L151 C154 A159 Y160 I165 S166 V167 M182 N183 I186L151-F163 HydrophobicContact CD2-CD2 3.6Å; L151-F163 HydrophobicContact CD2-CE2 3.67Å; C154-F163 HydrophobicContact CB-CB 4.27Å; A159-F163 PolarHBondContact O-N 3.31Å; Y160-F163 WeakPolarHBondContact O-CB 3.08Å; Y160-F163 PolarHBondContact O-N 3Å; Y160-F163 VanDerWaalsContact O-N 3.13Å; F163-I165 VanDerWaalsContact C-N 3.28Å; F163-I165 PolarHBondContact O-N 3.3Å; F163-S166 WeakPolarHBondContact O-CB 3.5Å; F163-S166 PolarHBondContact O-N 3.32Å; F163-S166 VanDerWaalsContact O-N 3.09Å; F163-V167 HydrophobicContact CD1-CG2 3.62Å; F163-V167 HydrophobicContact CE1-CG2 3.23Å; F163-V167 HydrophobicContact CE2-CG2 4.2Å; F163-V167 HydrophobicContact CG-CG2 4.23Å; F163-V167 HydrophobicContact CZ-CG2 3.54Å; F163-V167 WeakPolarHBondContact O-CG2 3.32Å; F163-V167 PolarHBondContact O-N 3.34Å; F163-M182 HydrophobicContact CZ-CB 4.03Å; F163-N183 WeakPolarHBondContact CE1-OD1 3.49Å; F163-I186 HydrophobicContact CD1-CD1 3.57Å; F163-I186 HydrophobicContact CD2-CD1 3.67Å; F163-I186 HydrophobicContact CE1-CD1 3.25Å; F163-I186 HydrophobicContact CE2-CD1 3.36Å; F163-I186 HydrophobicContact CG-CD1 3.79Å; F163-I186 HydrophobicContact CZ-CD1 3.17Å
164F82.7Confident82.7Confident25 Ų2560.4 Ų60.411%0.1135%0.351CS..Hα-helixtrans-63.2-31.2179.9-69.3-59.3000113.9Y160 S161 K162 A168 I186 I190 N211Y160-F164 WeakPolarHBondContact O-CD2 3.35Å; Y160-F164 PolarHBondContact O-N 2.94Å; S161-F164 PolarHBondContact O-N 2.99Å; K162-F164 PolarHBondContact O-N 3.43Å; F164-A168 PolarHBondContact O-N 3.29Å; F164-I186 HydrophobicContact CZ-CG2 4.4Å; F164-I190 HydrophobicContact CE2-CD1 4.02Å; F164-I190 HydrophobicContact CZ-CD1 4.1Å; F164-N211 VanDerWaalsContact CB-ND2 3.35Å; F164-N211 WeakPolarHBondContact CB-ND2 3.11Å; F164-N211 HydrophobicContact CD1-CB 4.4Å; F164-N211 VanDerWaalsContact CD1-ND2 3.32Å; F164-N211 WeakPolarHBondContact CD1-ND2 3.44Å; F164-N211 HydrophobicContact CD2-CB 3.73Å; F164-N211 HydrophobicContact CE1-CB 4.34Å; F164-N211 HydrophobicContact CE2-CB 3.66Å; F164-N211 HydrophobicContact CG-CB 4.13Å; F164-N211 WeakPolarHBondContact CG-ND2 3.35Å; F164-N211 HydrophobicContact CZ-CB 3.98Å
165I83.6Confident82.3Confident107 Ų10760 Ų6055%0.54935%0.348SS..Hα-helixtrans-69.8-42.6173.7-64.4166.4000110.5S161 K162 F163 A168S161-I165 WeakPolarHBondContact O-CG1 3.37Å; S161-I165 PolarHBondContact O-N 3.47Å; K162-I165 PolarHBondContact O-N 3.49Å; F163-I165 VanDerWaalsContact C-N 3.28Å; F163-I165 PolarHBondContact O-N 3.3Å; I165-A168 WeakPolarHBondContact O-CB 3.45Å; I165-A168 PolarHBondContact O-N 3.1Å
166S80.5Confident82.1Confident30 Ų3060.2 Ų60.221%0.2136%0.357CS..Hα-helixtrans-65.7-40.8177.8-62.50000111.9F147 K162 F163 A168 N169F147-S166 VanDerWaalsContact CE2-O 3.31Å; F147-S166 WeakPolarHBondContact CE2-O 3.3Å; K162-S166 PolarHBondContact O-N 3.08Å; K162-S166 PolarHBondContact O-OG 3.06Å; F163-S166 WeakPolarHBondContact O-CB 3.5Å; F163-S166 PolarHBondContact O-N 3.32Å; F163-S166 VanDerWaalsContact O-N 3.09Å; S166-A168 PolarHBondContact O-N 3.36Å; S166-N169 CarbonylContact O-C 3.59Å; S166-N169 PolarHBondContact O-N 2.85Å; S166-N169 VanDerWaalsContact O-N 3.08Å
167V80.4Confident82Confident26 Ų2656.3 Ų56.316%0.15834%0.335CS..Hα-helixtrans-56.8-32.3175.2171.40000112.1F163 N169 L179 N183F163-V167 HydrophobicContact CD1-CG2 3.62Å; F163-V167 HydrophobicContact CE1-CG2 3.23Å; F163-V167 HydrophobicContact CE2-CG2 4.2Å; F163-V167 HydrophobicContact CG-CG2 4.23Å; F163-V167 HydrophobicContact CZ-CG2 3.54Å; F163-V167 WeakPolarHBondContact O-CG2 3.32Å; F163-V167 PolarHBondContact O-N 3.34Å; V167-N169 VanDerWaalsContact C-N 3.25Å; V167-N169 PolarHBondContact O-N 3.3Å; V167-L179 HydrophobicContact CG1-CB 4.48Å; V167-L179 HydrophobicContact CG2-CD2 3.95Å; V167-N183 WeakPolarHBondContact CG1-ND2 3.37Å
168A76.5Confident81.8Confident71 Ų7151.6 Ų51.659%0.58731%0.307SS*.THydrogen-bonded Turntrans-70-20.4-179.600000113.6F164 I165 S166 P170F164-A168 PolarHBondContact O-N 3.29Å; I165-A168 WeakPolarHBondContact O-CB 3.45Å; I165-A168 PolarHBondContact O-N 3.1Å; S166-A168 PolarHBondContact O-N 3.36Å; A168-P170 VanDerWaalsContact C-CD 3.46Å; A168-P170 WeakPolarHBondContact O-CD 3.49Å
169N79.5Confident81.8Confident121 Ų12150.5 Ų50.565%0.64729%0.294SS*.SBendtrans-125.665.6-177.7-62.8-57.9000111.5S166 V167S166-N169 CarbonylContact O-C 3.59Å; S166-N169 PolarHBondContact O-N 2.85Å; S166-N169 VanDerWaalsContact O-N 3.08Å; V167-N169 VanDerWaalsContact C-N 3.25Å; V167-N169 PolarHBondContact O-N 3.3Å
170P78.8Confident81.7Confident51 Ų5153.1 Ų53.133%0.33130%0.302SS..  trans-69.3136.1177.729.8-32.9000110.4A168 S172 C175 L179A168-P170 VanDerWaalsContact C-CD 3.46Å; A168-P170 WeakPolarHBondContact O-CD 3.49Å; P170-S172 PolarHBondContact O-N 2.92Å; P170-C175 HydrophobicContact CB-CB 4.4Å; P170-L179 HydrophobicContact CB-CD1 3.81Å
171P76.5Confident81.8Confident52 Ų5252.4 Ų52.434%0.33830%0.301SS..SBendtrans-69.9-19.5178.528.5-35.4000112.9F144 F147F144-P171 HydrophobicContact CD1-CB 3.73Å; F144-P171 HydrophobicContact CD1-CG 3.87Å; F144-P171 HydrophobicContact CE1-CB 3.83Å; F144-P171 HydrophobicContact CE1-CG 4.38Å; F147-P171 HydrophobicContact CB-CG 3.95Å; F147-P171 HydrophobicContact CD1-CG 3.84Å; F147-P171 HydrophobicContact CD2-CG 4.41Å; F147-P171 HydrophobicContact CE1-CG 4.42Å; F147-P171 HydrophobicContact CG-CG 3.82Å
172S77.1Confident82Confident3 Ų348.4 Ų48.42%0.02127%0.273CS..SBendtrans-137.7141.2179173.60000111E109 P170 Y174 C175E109-S172 VanDerWaalsContact OE1-CB 3.23Å; E109-S172 WeakPolarHBondContact OE1-CB 3.45Å; E109-S172 PolarHBondContact OE1-OG 3.15Å; P170-S172 PolarHBondContact O-N 2.92Å; S172-Y174 PolarHBondContact O-N 3.1Å; S172-Y174 WeakPolarHBondContact OG-CD2 3.35Å; S172-Y174 PolarHBondContact OG-N 3Å; S172-C175 WeakPolarHBondContact O-CB 3.11Å; S172-C175 PolarHBondContact O-N 3.42Å
173P80.6Confident82.1Confident103 Ų10343.4 Ų43.467%0.66925%0.252SS*.THydrogen-bonded Turntrans-62.9-26.5174.227.3-35.2000112.5C175 A176P173-C175 PolarHBondContact O-N 3.14Å; P173-A176 VanDerWaalsContact O-CB 3.27Å; P173-A176 WeakPolarHBondContact O-CB 3.42Å; P173-A176 PolarHBondContact O-N 3.08Å; P173-A176 VanDerWaalsContact O-N 3.16Å
174Y81Confident82.1Confident41 Ų4148.7 Ų48.716%0.16128%0.276CS..THydrogen-bonded Turntrans-67.2-23.1179.5-61.6-72.3000112.5W15 K20 L67 I70 A71 S172 A176W15-Y174 VanDerWaalsContact CH2-OH 3.27Å; W15-Y174 WeakPolarHBondContact CH2-OH 3.44Å; K20-Y174 PolarHBondContact NZ-OH 3.16Å; L67-Y174 HydrophobicContact CB-CE1 4.26Å; L67-Y174 HydrophobicContact CD1-CE2 4.35Å; L67-Y174 HydrophobicContact CD2-CD1 4.48Å; L67-Y174 HydrophobicContact CD2-CD2 3.82Å; L67-Y174 HydrophobicContact CD2-CE2 4.05Å; L67-Y174 HydrophobicContact CD2-CG 4.07Å; I70-Y174 HydrophobicContact CG2-CD1 4.47Å; I70-Y174 WeakPolarHBondContact CG2-O 3.3Å; A71-Y174 HydrophobicContact CB-CE1 4.44Å; S172-Y174 PolarHBondContact O-N 3.1Å; S172-Y174 WeakPolarHBondContact OG-CD2 3.35Å; S172-Y174 PolarHBondContact OG-N 3Å; Y174-A176 PolarHBondContact O-N 3.27Å
175C81.1Confident82.3Confident4 Ų450.2 Ų50.23%0.02729%0.287CS..Hα-helixtrans-69.9-19.4175.3-64.40000113.3M116 P170 S172 P173 Y177 F178 L179M116-C175 HydrophobicContact CE-CB 4.26Å; P170-C175 HydrophobicContact CB-CB 4.4Å; S172-C175 WeakPolarHBondContact O-CB 3.11Å; S172-C175 PolarHBondContact O-N 3.42Å; P173-C175 PolarHBondContact O-N 3.14Å; C175-Y177 VanDerWaalsContact C-N 3.26Å; C175-Y177 PolarHBondContact O-N 3.42Å; C175-F178 PolarHBondContact O-N 3.43Å; C175-L179 HydrophobicContact CB-CD1 4.21Å; C175-L179 VanDerWaalsContact O-CG 3.31Å; C175-L179 WeakPolarHBondContact O-CG 3.41Å; C175-L179 PolarHBondContact O-N 3.29Å
176A83.1Confident82.4Confident53 Ų5345.3 Ų45.344%0.43826%0.262SS..Hα-helixtrans-59-37.1-17300000112.9P173 Y174 L179 E180P173-A176 VanDerWaalsContact O-CB 3.27Å; P173-A176 WeakPolarHBondContact O-CB 3.42Å; P173-A176 PolarHBondContact O-N 3.08Å; P173-A176 VanDerWaalsContact O-N 3.16Å; Y174-A176 PolarHBondContact O-N 3.27Å; A176-L179 PolarHBondContact O-N 3.34Å; A176-E180 PolarHBondContact O-N 2.94Å
177Y84.3Confident82.7Confident48 Ų4847.1 Ų47.119%0.18826%0.264CS..Hα-helixtrans-63.1-48.6178.1175.1-111.7000112.2R73 I75 C175 L179 E180 I181R73-Y177 HydrophobicContact CB-CD2 4.27Å; R73-Y177 HydrophobicContact CB-CE1 4.36Å; R73-Y177 HydrophobicContact CB-CE2 3.77Å; R73-Y177 HydrophobicContact CG-CD2 3.7Å; R73-Y177 HydrophobicContact CG-CE2 3.66Å; R73-Y177 HydrophobicContact CG-CG 4.24Å; I75-Y177 HydrophobicContact CD1-CE1 4.05Å; I75-Y177 HydrophobicContact CG1-CE1 3.9Å; C175-Y177 VanDerWaalsContact C-N 3.26Å; C175-Y177 PolarHBondContact O-N 3.42Å; Y177-L179 VanDerWaalsContact C-N 3.34Å; Y177-L179 PolarHBondContact O-N 2.86Å; Y177-E180 PolarHBondContact O-N 3.25Å; Y177-I181 HydrophobicContact CD1-CD1 4.31Å; Y177-I181 HydrophobicContact CE1-CD1 3.74Å; Y177-I181 HydrophobicContact CE2-CD1 4.11Å; Y177-I181 PolarHBondContact O-N 3.03Å
178F83.7Confident83Confident2 Ų247.9 Ų47.91%0.00927%0.267CS..Hα-helixtrans-66.8-36.5177.9-63.1-68.1000112I70 F78 L113 M116 C117 A120 C175 E180 I181 M182I70-F178 HydrophobicContact CD1-CE2 4.37Å; I70-F178 HydrophobicContact CG1-CE2 4.2Å; I70-F178 HydrophobicContact CG1-CZ 4.41Å; I70-F178 HydrophobicContact CG2-CE2 4.11Å; F78-F178 HydrophobicContact CD1-CZ 4.41Å; F78-F178 HydrophobicContact CE1-CZ 4.41Å; L113-F178 HydrophobicContact CD2-CD2 4.42Å; L113-F178 HydrophobicContact CD2-CE2 4.3Å; M116-F178 HydrophobicContact CB-CB 4.25Å; M116-F178 HydrophobicContact CB-CD2 4.32Å; M116-F178 HydrophobicContact CB-CG 4.33Å; C117-F178 HydrophobicContact CB-CD1 4.29Å; C117-F178 HydrophobicContact CB-CE1 3.64Å; C117-F178 HydrophobicContact CB-CZ 3.9Å; A120-F178 HydrophobicContact CB-CD1 4.3Å; C175-F178 PolarHBondContact O-N 3.43Å; F178-E180 VanDerWaalsContact C-N 3.33Å; F178-E180 PolarHBondContact O-N 3.28Å; F178-I181 PolarHBondContact O-N 3.12Å; F178-M182 HydrophobicContact CB-CE 4.29Å; F178-M182 WeakPolarHBondContact O-CB 3.38Å; F178-M182 WeakPolarHBondContact O-CG 3.48Å; F178-M182 PolarHBondContact O-N 2.94Å
179L85.5Confident83.4Confident6 Ų648.7 Ų48.73%0.03126%0.259CS..Hα-helixtrans-63-37.7175-70.2169.1000112M116 F147 L151 V167 P170 C175 A176 Y177 M182 N183M116-L179 HydrophobicContact CE-CD2 3.75Å; M116-L179 HydrophobicContact CE-CG 3.92Å; F147-L179 HydrophobicContact CZ-CD2 4.49Å; L151-L179 HydrophobicContact CD1-CD2 3.99Å; V167-L179 HydrophobicContact CG1-CB 4.48Å; V167-L179 HydrophobicContact CG2-CD2 3.95Å; P170-L179 HydrophobicContact CB-CD1 3.81Å; C175-L179 HydrophobicContact CB-CD1 4.21Å; C175-L179 VanDerWaalsContact O-CG 3.31Å; C175-L179 WeakPolarHBondContact O-CG 3.41Å; C175-L179 PolarHBondContact O-N 3.29Å; A176-L179 PolarHBondContact O-N 3.34Å; Y177-L179 VanDerWaalsContact C-N 3.34Å; Y177-L179 PolarHBondContact O-N 2.86Å; L179-M182 HydrophobicContact CD2-CE 3.84Å; L179-M182 HydrophobicContact CG-CE 4.37Å; L179-M182 PolarHBondContact O-N 3.39Å; L179-N183 VanDerWaalsContact O-CB 3.3Å; L179-N183 WeakPolarHBondContact O-CB 3.43Å; L179-N183 VanDerWaalsContact O-CG 3.25Å; L179-N183 PolarHBondContact O-N 3.07Å; L179-N183 PolarHBondContact O-ND2 2.97Å
180E85Confident83.7Confident82 Ų8243.5 Ų43.538%0.38323%0.231SC..Hα-helixtrans-62.8-43.8175.8-164.2-163.6141.500111.8A176 Y177 F178 N183 K184A176-E180 PolarHBondContact O-N 2.94Å; Y177-E180 PolarHBondContact O-N 3.25Å; F178-E180 VanDerWaalsContact C-N 3.33Å; F178-E180 PolarHBondContact O-N 3.28Å; E180-N183 PolarHBondContact O-N 2.96Å; E180-K184 PolarHBondContact O-N 3.16Å; E180-K184 IonicContact OE1-NZ 2.85Å; E180-K184 PolarHBondContact OE1-NZ 3.33Å
181I85.9Confident84Confident47 Ų4741.1 Ų41.124%0.24122%0.215CC..Hα-helixtrans-63.2-51.3177.1-63.4169.6000109.9I75 A120 Y177 F178 N183 K184 T185I75-I181 HydrophobicContact CD1-CD1 4.35Å; A120-I181 HydrophobicContact CB-CG2 4.21Å; Y177-I181 HydrophobicContact CD1-CD1 4.31Å; Y177-I181 HydrophobicContact CE1-CD1 3.74Å; Y177-I181 HydrophobicContact CE2-CD1 4.11Å; Y177-I181 PolarHBondContact O-N 3.03Å; F178-I181 PolarHBondContact O-N 3.12Å; I181-N183 VanDerWaalsContact C-N 3.3Å; I181-N183 PolarHBondContact O-N 3.4Å; I181-K184 WeakPolarHBondContact O-CB 3.07Å; I181-K184 PolarHBondContact O-N 3.13Å; I181-K184 VanDerWaalsContact O-N 3.1Å; I181-T185 PolarHBondContact O-N 3.08Å; I181-T185 PolarHBondContact O-OG1 3.33Å
182M86.4Confident84.5Confident9 Ų941.1 Ų41.14%0.04421%0.212CC..Hα-helixtrans-61.2-37.7-180-72.4-171.6-73.800112.6M116 L119 A120 F163 F178 L179 K184 T185 I186M116-M182 HydrophobicContact CE-CE 3.34Å; M116-M182 HydrophobicContact SD-CE 3.94Å; L119-M182 HydrophobicContact CB-SD 3.69Å; A120-M182 HydrophobicContact CB-CG 4.14Å; F163-M182 HydrophobicContact CZ-CB 4.03Å; F178-M182 HydrophobicContact CB-CE 4.29Å; F178-M182 WeakPolarHBondContact O-CB 3.38Å; F178-M182 WeakPolarHBondContact O-CG 3.48Å; F178-M182 PolarHBondContact O-N 2.94Å; L179-M182 HydrophobicContact CD2-CE 3.84Å; L179-M182 HydrophobicContact CG-CE 4.37Å; L179-M182 PolarHBondContact O-N 3.39Å; M182-K184 VanDerWaalsContact C-N 3.27Å; M182-K184 PolarHBondContact O-N 3.31Å; M182-T185 PolarHBondContact O-N 3.33Å; M182-I186 WeakPolarHBondContact O-CB 3.26Å; M182-I186 WeakPolarHBondContact O-CG1 3.45Å; M182-I186 PolarHBondContact O-N 3.22Å
183N86.4Confident84.8Confident28 Ų2842.6 Ų42.615%0.1523%0.229CC..Hα-helixtrans-58.9-38.6175.8-85.2-53.8000112.3F163 V167 L179 E180 I181 R187F163-N183 WeakPolarHBondContact CE1-OD1 3.49Å; V167-N183 WeakPolarHBondContact CG1-ND2 3.37Å; L179-N183 VanDerWaalsContact O-CB 3.3Å; L179-N183 WeakPolarHBondContact O-CB 3.43Å; L179-N183 VanDerWaalsContact O-CG 3.25Å; L179-N183 PolarHBondContact O-N 3.07Å; L179-N183 PolarHBondContact O-ND2 2.97Å; E180-N183 PolarHBondContact O-N 2.96Å; I181-N183 VanDerWaalsContact C-N 3.3Å; I181-N183 PolarHBondContact O-N 3.4Å; N183-R187 WeakPolarHBondContact O-CB 3.38Å; N183-R187 VanDerWaalsContact O-CG 3.25Å; N183-R187 WeakPolarHBondContact O-CG 3.25Å; N183-R187 PolarHBondContact O-N 3.35Å; N183-R187 VanDerWaalsContact O-N 3.08Å
184K85.5Confident85.1Confident114 Ų11438 Ų3850%0.49620%0.198SC..Hα-helixtrans-66.4-51.5177.1-68174.1-170.81660110.3E180 I181 M182 I186 R187 D188E180-K184 PolarHBondContact O-N 3.16Å; E180-K184 IonicContact OE1-NZ 2.85Å; E180-K184 PolarHBondContact OE1-NZ 3.33Å; I181-K184 WeakPolarHBondContact O-CB 3.07Å; I181-K184 PolarHBondContact O-N 3.13Å; I181-K184 VanDerWaalsContact O-N 3.1Å; M182-K184 VanDerWaalsContact C-N 3.27Å; M182-K184 PolarHBondContact O-N 3.31Å; K184-I186 VanDerWaalsContact C-N 3.31Å; K184-I186 PolarHBondContact O-N 3.34Å; K184-R187 WeakPolarHBondContact O-CB 3.34Å; K184-R187 PolarHBondContact O-N 2.94Å; K184-R187 VanDerWaalsContact O-N 3.13Å; K184-D188 PolarHBondContact O-N 3.33Å
185T86.5Confident85.1Confident56 Ų5639.9 Ų39.934%0.34421%0.208SC..Hα-helixtrans-59.5-40.3178.7-51.60000112.6I181 M182 D188 Q189I181-T185 PolarHBondContact O-N 3.08Å; I181-T185 PolarHBondContact O-OG1 3.33Å; M182-T185 PolarHBondContact O-N 3.33Å; T185-D188 WeakPolarHBondContact O-CB 3.49Å; T185-D188 PolarHBondContact O-N 2.85Å; T185-Q189 WeakPolarHBondContact O-CG 3.5Å; T185-Q189 PolarHBondContact O-N 3.28Å
186I86.7Confident85.2Confident5 Ų547.3 Ų47.33%0.02624%0.24CC..Hα-helixtrans-68-39.1177.9-77.2164000111.4L155 Y160 F163 F164 M182 K184 D188 Q189 I190L155-I186 HydrophobicContact CD1-CD1 4.03Å; L155-I186 HydrophobicContact CD1-CG1 3.77Å; Y160-I186 HydrophobicContact CD1-CG2 3.38Å; Y160-I186 HydrophobicContact CE1-CG1 4.43Å; Y160-I186 HydrophobicContact CE1-CG2 3.76Å; Y160-I186 HydrophobicContact CG-CG2 4.18Å; F163-I186 HydrophobicContact CD1-CD1 3.57Å; F163-I186 HydrophobicContact CD2-CD1 3.67Å; F163-I186 HydrophobicContact CE1-CD1 3.25Å; F163-I186 HydrophobicContact CE2-CD1 3.36Å; F163-I186 HydrophobicContact CG-CD1 3.79Å; F163-I186 HydrophobicContact CZ-CD1 3.17Å; F164-I186 HydrophobicContact CZ-CG2 4.4Å; M182-I186 WeakPolarHBondContact O-CB 3.26Å; M182-I186 WeakPolarHBondContact O-CG1 3.45Å; M182-I186 PolarHBondContact O-N 3.22Å; K184-I186 VanDerWaalsContact C-N 3.31Å; K184-I186 PolarHBondContact O-N 3.34Å; I186-D188 VanDerWaalsContact C-N 3.29Å; I186-D188 PolarHBondContact O-N 3.49Å; I186-Q189 PolarHBondContact O-N 3.49Å; I186-I190 HydrophobicContact CG2-CD1 3.69Å; I186-I190 HydrophobicContact CG2-CG1 4.27Å; I186-I190 VanDerWaalsContact O-CG1 3.22Å; I186-I190 WeakPolarHBondContact O-CG1 3.48Å; I186-I190 PolarHBondContact O-N 3.08Å
187R86.5Confident85.2Confident68 Ų6848.6 Ų48.626%0.25725%0.246SC..Hα-helixtrans-62.4-39173.7-75.1174.9-176.8-174.72.2111.8N183 K184 I190 A191 L210 F212 F224N183-R187 WeakPolarHBondContact O-CB 3.38Å; N183-R187 VanDerWaalsContact O-CG 3.25Å; N183-R187 WeakPolarHBondContact O-CG 3.25Å; N183-R187 PolarHBondContact O-N 3.35Å; N183-R187 VanDerWaalsContact O-N 3.08Å; K184-R187 WeakPolarHBondContact O-CB 3.34Å; K184-R187 PolarHBondContact O-N 2.94Å; K184-R187 VanDerWaalsContact O-N 3.13Å; R187-I190 PolarHBondContact O-N 3.14Å; R187-A191 WeakPolarHBondContact O-CB 3.45Å; R187-A191 PolarHBondContact O-N 3.07Å; R187-L210 HydrophobicContact CB-CD2 4.42Å; R187-F212 VanDerWaalsContact NH1-CE1 3.29Å; R187-F224 HydrophobicContact CB-CE1 4.42Å; R187-F224 HydrophobicContact CB-CZ 4.04Å
188D86.2Confident85.1Confident41 Ų4151.4 Ų51.422%0.21926%0.257CS..Hα-helixtrans-60.2-47.5172.3-67.8-48.3000111.4K184 T185 I186 I190 A191 D192 F224 R228K184-D188 PolarHBondContact O-N 3.33Å; T185-D188 WeakPolarHBondContact O-CB 3.49Å; T185-D188 PolarHBondContact O-N 2.85Å; I186-D188 VanDerWaalsContact C-N 3.29Å; I186-D188 PolarHBondContact O-N 3.49Å; D188-I190 PolarHBondContact O-N 3.08Å; D188-A191 WeakPolarHBondContact O-CB 3.49Å; D188-A191 PolarHBondContact O-N 2.93Å; D188-A191 VanDerWaalsContact O-N 3.15Å; D188-D192 VanDerWaalsContact O-CG 3.26Å; D188-D192 PolarHBondContact O-N 3.35Å; D188-F224 WeakPolarHBondContact OD1-CZ 3.49Å; D188-R228 IonicContact OD1-CZ 3.41Å; D188-R228 IonicContact OD1-NH1 3.47Å; D188-R228 PolarHBondContact OD1-NH1 3.48Å; D188-R228 IonicContact OD1-NH2 2.74Å; D188-R228 PolarHBondContact OD1-NH2 3.1Å
189Q85.4Confident84.9Confident88 Ų8855.1 Ų55.141%0.41128%0.283SS..Hα-helixtrans-64.4-39.6178.9-68.7-62.1-41.800112.9T185 I186 A191 D192 G193T185-Q189 WeakPolarHBondContact O-CG 3.5Å; T185-Q189 PolarHBondContact O-N 3.28Å; I186-Q189 PolarHBondContact O-N 3.49Å; Q189-A191 VanDerWaalsContact C-N 3.31Å; Q189-D192 PolarHBondContact O-N 3.03Å; Q189-G193 PolarHBondContact O-N 3.47Å
190I86.2Confident84.7Confident13 Ų1358.3 Ų58.37%0.06731%0.306CS..Hα-helixtrans-62.3-42.9173.4-67.5163.4000109.7Y160 F164 I186 R187 D188 G193 I194 L210Y160-I190 HydrophobicContact CD1-CD1 4.1Å; Y160-I190 HydrophobicContact CD1-CG1 4.06Å; Y160-I190 HydrophobicContact CD2-CD1 3.86Å; Y160-I190 HydrophobicContact CD2-CG1 3.35Å; Y160-I190 HydrophobicContact CE1-CG1 4.2Å; Y160-I190 HydrophobicContact CE2-CD1 4.44Å; Y160-I190 HydrophobicContact CE2-CG1 3.51Å; Y160-I190 HydrophobicContact CG-CD1 3.64Å; Y160-I190 HydrophobicContact CG-CG1 3.63Å; F164-I190 HydrophobicContact CE2-CD1 4.02Å; F164-I190 HydrophobicContact CZ-CD1 4.1Å; I186-I190 HydrophobicContact CG2-CD1 3.69Å; I186-I190 HydrophobicContact CG2-CG1 4.27Å; I186-I190 VanDerWaalsContact O-CG1 3.22Å; I186-I190 WeakPolarHBondContact O-CG1 3.48Å; I186-I190 PolarHBondContact O-N 3.08Å; R187-I190 PolarHBondContact O-N 3.14Å; D188-I190 PolarHBondContact O-N 3.08Å; I190-G193 PolarHBondContact O-N 3.1Å; I190-I194 HydrophobicContact CG2-CD1 3.72Å; I190-I194 HydrophobicContact CG2-CG1 4.3Å; I190-I194 VanDerWaalsContact O-CG1 3.28Å; I190-I194 WeakPolarHBondContact O-CG1 3.5Å; I190-I194 PolarHBondContact O-N 2.89Å; I190-L210 HydrophobicContact CB-CD2 3.91Å; I190-L210 HydrophobicContact CG2-CD2 3.61Å; I190-L210 HydrophobicContact CG2-CG 4.34Å
191A84.8Confident84.6Confident0 Ų055 Ų550%029%0.291CS..Hα-helixtrans-62.6-46.3179.200000111.6R187 D188 Q189 G193 I194 E195 F224 W229R187-A191 WeakPolarHBondContact O-CB 3.45Å; R187-A191 PolarHBondContact O-N 3.07Å; D188-A191 WeakPolarHBondContact O-CB 3.49Å; D188-A191 PolarHBondContact O-N 2.93Å; D188-A191 VanDerWaalsContact O-N 3.15Å; Q189-A191 VanDerWaalsContact C-N 3.31Å; A191-G193 VanDerWaalsContact C-N 3.27Å; A191-G193 PolarHBondContact O-N 3.31Å; A191-I194 PolarHBondContact O-N 2.68Å; A191-E195 PolarHBondContact O-N 2.93Å; A191-F224 HydrophobicContact CB-CE1 4.31Å; A191-W229 HydrophobicContact CB-CZ2 3.95Å
192D85.7Confident84.4Confident52 Ų5259.2 Ų59.228%0.27831%0.307SS..Hα-helixtrans-63.6-34176.5-62.6-7.2000111.8D188 Q189 K196 R228D188-D192 VanDerWaalsContact O-CG 3.26Å; D188-D192 PolarHBondContact O-N 3.35Å; Q189-D192 PolarHBondContact O-N 3.03Å; D192-K196 WeakPolarHBondContact O-CG 3.05Å; D192-K196 PolarHBondContact O-N 2.97Å; D192-R228 IonicContact OD1-NH1 2.94Å; D192-R228 PolarHBondContact OD1-NH1 3.32Å
193G85Confident84.1Confident35 Ų3560.2 Ų60.236%0.36131%0.314SS..Hα-helixtrans-69.9-38.6174.700000113.1Q189 I190 A191 K196 S197Q189-G193 PolarHBondContact O-N 3.47Å; I190-G193 PolarHBondContact O-N 3.1Å; A191-G193 VanDerWaalsContact C-N 3.27Å; A191-G193 PolarHBondContact O-N 3.31Å; G193-K196 PolarHBondContact O-N 3.43Å; G193-S197 WeakPolarHBondContact O-CB 3.35Å; G193-S197 PolarHBondContact O-N 2.88Å; G193-S197 VanDerWaalsContact O-N 3.16Å; G193-S197 PolarHBondContact O-OG 2.84Å
194I85.5Confident83.9Confident7 Ų762.5 Ų62.54%0.03633%0.332CS..Hα-helixtrans-65.7-43.5176.7-73.1167.6000110.6I190 A191 K196 S197 Y198 L201 L209 W229 F240I190-I194 HydrophobicContact CG2-CD1 3.72Å; I190-I194 HydrophobicContact CG2-CG1 4.3Å; I190-I194 VanDerWaalsContact O-CG1 3.28Å; I190-I194 WeakPolarHBondContact O-CG1 3.5Å; I190-I194 PolarHBondContact O-N 2.89Å; A191-I194 PolarHBondContact O-N 2.68Å; I194-K196 PolarHBondContact O-N 3.15Å; I194-S197 WeakPolarHBondContact CA-OG 3.28Å; I194-S197 PolarHBondContact O-N 3.26Å; I194-S197 PolarHBondContact O-OG 3.47Å; I194-Y198 HydrophobicContact CB-CD2 4.41Å; I194-Y198 HydrophobicContact CG1-CD2 4.47Å; I194-Y198 HydrophobicContact CG1-CE2 4.45Å; I194-Y198 HydrophobicContact CG2-CD2 4Å; I194-Y198 PolarHBondContact O-N 3.47Å; I194-Y198 VanDerWaalsContact O-N 3.08Å; I194-L201 HydrophobicContact CD1-CD2 4.36Å; I194-L201 HydrophobicContact CG2-CD2 3.63Å; I194-L209 HydrophobicContact CD1-CB 3.99Å; I194-L209 HydrophobicContact CD1-CD1 3.91Å; I194-L209 HydrophobicContact CG1-CD1 4.26Å; I194-W229 HydrophobicContact CB-CH2 3.9Å; I194-W229 HydrophobicContact CB-CZ2 3.81Å; I194-W229 HydrophobicContact CD1-CH2 3.83Å; I194-W229 HydrophobicContact CD1-CZ2 4.38Å; I194-W229 HydrophobicContact CG1-CH2 4.48Å; I194-W229 HydrophobicContact CG2-CH2 3.44Å; I194-W229 VanDerWaalsContact CG2-CH2 3.44Å; I194-W229 HydrophobicContact CG2-CZ2 3.64Å; I194-W229 HydrophobicContact CG2-CZ3 4.25Å; I194-F240 HydrophobicContact CG2-CE1 4.5Å; I194-F240 HydrophobicContact CG2-CE2 3.61Å; I194-F240 HydrophobicContact CG2-CZ 3.59Å
195E82.5Confident83.8Confident79 Ų7960.2 Ų60.237%0.36933%0.325SS..Hα-helixtrans-58.2-33.8179-174.5178.9166.800112.6A191 F240A191-E195 PolarHBondContact O-N 2.93Å; E195-F240 HydrophobicContact CB-CD1 4.08Å; E195-F240 HydrophobicContact CB-CE1 4.4Å; E195-F240 HydrophobicContact CG-CD1 3.95Å
196K82.8Confident83.5Confident161 Ų16157.5 Ų57.570%0.731%0.309SS*.Hα-helixtrans-85.3-26179.5-67.2173.1-174.2171.60114.3D192 G193 I194D192-K196 WeakPolarHBondContact O-CG 3.05Å; D192-K196 PolarHBondContact O-N 2.97Å; G193-K196 PolarHBondContact O-N 3.43Å; I194-K196 PolarHBondContact O-N 3.15Å
197S83.8Confident83.3Confident79 Ų7958 Ų5855%0.55231%0.314SS*.Hα-helixtrans-98.7-32.5-169.351.50000113.7G193 I194G193-S197 WeakPolarHBondContact O-CB 3.35Å; G193-S197 PolarHBondContact O-N 2.88Å; G193-S197 VanDerWaalsContact O-N 3.16Å; G193-S197 PolarHBondContact O-OG 2.84Å; I194-S197 WeakPolarHBondContact CA-OG 3.28Å; I194-S197 PolarHBondContact O-N 3.26Å; I194-S197 PolarHBondContact O-OG 3.47Å
198Y81.8Confident83.1Confident108 Ų10862.3 Ų62.342%0.42434%0.337SS..  trans-109.2144.2-177.6-62.8-81.9000110.7I194 L209 F240I194-Y198 HydrophobicContact CB-CD2 4.41Å; I194-Y198 HydrophobicContact CG1-CD2 4.47Å; I194-Y198 HydrophobicContact CG1-CE2 4.45Å; I194-Y198 HydrophobicContact CG2-CD2 4Å; I194-Y198 PolarHBondContact O-N 3.47Å; I194-Y198 VanDerWaalsContact O-N 3.08Å; Y198-L209 HydrophobicContact CE2-CD1 4.46Å; Y198-F240 VanDerWaalsContact O-CB 3.26Å; Y198-F240 WeakPolarHBondContact O-CB 3.16Å; Y198-F240 VanDerWaalsContact O-CD2 3.27Å; Y198-F240 WeakPolarHBondContact O-CD2 3.28Å
199S78.4Confident82.9Confident80 Ų8063.7 Ų63.756%0.55934%0.344SS*.SBendtrans-84-31.6168.454.40000112F240S199-F240 PolarHBondContact O-N 2.92Å
200S80.9Confident82.7Confident73 Ų7359.5 Ų59.551%0.5132%0.324SS..EExtended strand (participates in β ladder)trans-151.5148.217460.20000110.4F238S200-F238 CarbonylContact C-O 3.53Å; S200-F238 WeakPolarHBondContact CA-O 3.27Å
201L82.9Confident82.3Confident13 Ų1360.8 Ų60.87%0.06833%0.331CS..EExtended strand (participates in β ladder)trans-140.9134.5-178.6-172.267.1000110.6I194 D205 A206 L209 W229 G237 F238 F240I194-L201 HydrophobicContact CD1-CD2 4.36Å; I194-L201 HydrophobicContact CG2-CD2 3.63Å; L201-D205 HydrophobicContact CD1-CB 3.78Å; L201-D205 HydrophobicContact CG-CB 4.37Å; L201-A206 HydrophobicContact CD2-CB 3.66Å; L201-A206 HydrophobicContact CG-CB 4.21Å; L201-L209 HydrophobicContact CD1-CD1 4.31Å; L201-L209 HydrophobicContact CD2-CD1 4.08Å; L201-W229 HydrophobicContact CD2-CZ3 4.44Å; L201-G237 CarbonylContact O-C 3.6Å; L201-G237 WeakPolarHBondContact O-CA 3.22Å; L201-F238 PolarHBondContact N-O 3.46Å; L201-F238 PolarHBondContact O-N 3.23Å; L201-F240 HydrophobicContact CB-CE2 3.84Å
202K83Confident81.7Confident134 Ų13461.8 Ų61.858%0.58334%0.336SS*.EExtended strand (participates in β ladder)trans-71.5151.2175-65.5177.6-177.7172.40110.6S204 D205 A206K202-S204 VanDerWaalsContact C-N 3.27Å; K202-S204 PolarHBondContact O-N 2.98Å; K202-D205 PolarHBondContact O-N 3.01Å; K202-A206 PolarHBondContact O-N 3.47Å
203V80.3Confident81Confident31 Ų3168 Ų6819%0.18836%0.36CS..Hα-helixtrans-60.9-35.4178.7-178.30000112.2A207 L221 S236 F238V203-A207 WeakPolarHBondContact O-CB 3.19Å; V203-A207 PolarHBondContact O-N 3Å; V203-A207 VanDerWaalsContact O-N 3.08Å; V203-L221 HydrophobicContact CG1-CD2 4.31Å; V203-S236 PolarHBondContact N-O 3.46Å; V203-F238 HydrophobicContact CG2-CE2 4.09Å
204S81.4Confident80.1Confident75 Ų7568.7 Ų68.752%0.52437%0.367SS..Hα-helixtrans-60.7-46.317652.80000112.2K202 A207 E208K202-S204 VanDerWaalsContact C-N 3.27Å; K202-S204 PolarHBondContact O-N 2.98Å; S204-A207 PolarHBondContact O-N 3.31Å; S204-E208 PolarHBondContact O-N 3.37Å; S204-E208 VanDerWaalsContact O-N 3.1Å
205D83Confident78.9Confident66 Ų6675.2 Ų75.235%0.35341%0.41SS..Hα-helixtrans-74.9-36.5-172.6-53.3-7000109.4L201 K202 A207 E208 L209L201-D205 HydrophobicContact CD1-CB 3.78Å; L201-D205 HydrophobicContact CG-CB 4.37Å; K202-D205 PolarHBondContact O-N 3.01Å; D205-A207 VanDerWaalsContact C-N 3.35Å; D205-A207 PolarHBondContact O-N 3.19Å; D205-E208 PolarHBondContact O-N 3.31Å; D205-L209 WeakPolarHBondContact O-CB 3.37Å; D205-L209 VanDerWaalsContact O-CG 3.28Å; D205-L209 WeakPolarHBondContact O-CG 3.14Å; D205-L209 PolarHBondContact O-N 2.74Å
206A80.8Confident78.3Confident0 Ų073.9 Ų73.90%041%0.409CS..Hα-helixtrans-60.3-42170.500000112.6L201 K202 E208 L209 L210 L221 W229 F238L201-A206 HydrophobicContact CD2-CB 3.66Å; L201-A206 HydrophobicContact CG-CB 4.21Å; K202-A206 PolarHBondContact O-N 3.47Å; A206-E208 VanDerWaalsContact C-N 3.34Å; A206-L209 PolarHBondContact O-N 3.45Å; A206-L210 WeakPolarHBondContact O-CB 3.41Å; A206-L210 PolarHBondContact O-N 2.72Å; A206-L221 HydrophobicContact CB-CD1 4.11Å; A206-W229 HydrophobicContact CB-CZ3 4.11Å; A206-F238 HydrophobicContact CB-CD2 4.46Å; A206-F238 HydrophobicContact CB-CE2 4.36Å
207A81.9Confident77.4Confident16 Ų1666.7 Ų66.713%0.13238%0.38CS..Hα-helixtrans-65.2-38.717800000112.1V203 S204 D205 N211 F212 L221V203-A207 WeakPolarHBondContact O-CB 3.19Å; V203-A207 PolarHBondContact O-N 3Å; V203-A207 VanDerWaalsContact O-N 3.08Å; S204-A207 PolarHBondContact O-N 3.31Å; D205-A207 VanDerWaalsContact C-N 3.35Å; D205-A207 PolarHBondContact O-N 3.19Å; A207-N211 PolarHBondContact O-N 3.45Å; A207-N211 VanDerWaalsContact O-N 3.14Å; A207-F212 PolarHBondContact O-N 3Å; A207-L221 HydrophobicContact CB-CD1 3.91Å
208E83Confident76.5Confident157 Ų15767.7 Ų67.773%0.73438%0.378SS*.Hα-helixtrans-67.7-45.8176.2-171.5171.7-177.100111.8S204 D205 A206 L210 N211S204-E208 PolarHBondContact O-N 3.37Å; S204-E208 VanDerWaalsContact O-N 3.1Å; D205-E208 PolarHBondContact O-N 3.31Å; A206-E208 VanDerWaalsContact C-N 3.34Å; E208-L210 PolarHBondContact O-N 3.01Å; E208-N211 PolarHBondContact O-N 2.88Å; E208-N211 VanDerWaalsContact O-N 3.08Å
209L82.1Confident76Confident71 Ų7169.5 Ų69.537%0.37239%0.388SS..Hα-helixtrans-63.7-41.7179.9-72.7172.6000113I194 Y198 L201 D205 A206 N211I194-L209 HydrophobicContact CD1-CB 3.99Å; I194-L209 HydrophobicContact CD1-CD1 3.91Å; I194-L209 HydrophobicContact CG1-CD1 4.26Å; Y198-L209 HydrophobicContact CE2-CD1 4.46Å; L201-L209 HydrophobicContact CD1-CD1 4.31Å; L201-L209 HydrophobicContact CD2-CD1 4.08Å; D205-L209 WeakPolarHBondContact O-CB 3.37Å; D205-L209 VanDerWaalsContact O-CG 3.28Å; D205-L209 WeakPolarHBondContact O-CG 3.14Å; D205-L209 PolarHBondContact O-N 2.74Å; A206-L209 PolarHBondContact O-N 3.45Å; L209-N211 PolarHBondContact O-N 3.33Å
210L80.6Confident75.6Confident0 Ų069.1 Ų69.10%038%0.38CS..THydrogen-bonded Turntrans-81.5-0.1176.5-68.8166.9000112.8R187 I190 A206 E208 F212 L225 W229R187-L210 HydrophobicContact CB-CD2 4.42Å; I190-L210 HydrophobicContact CB-CD2 3.91Å; I190-L210 HydrophobicContact CG2-CD2 3.61Å; I190-L210 HydrophobicContact CG2-CG 4.34Å; A206-L210 WeakPolarHBondContact O-CB 3.41Å; A206-L210 PolarHBondContact O-N 2.72Å; E208-L210 PolarHBondContact O-N 3.01Å; L210-F212 VanDerWaalsContact C-N 3.27Å; L210-F212 HydrophobicContact CB-CD2 3.54Å; L210-F212 HydrophobicContact CB-CE2 3.59Å; L210-F212 HydrophobicContact CD1-CD2 4.47Å; L210-F212 HydrophobicContact CD1-CE2 3.99Å; L210-F212 HydrophobicContact CG-CE2 4.36Å; L210-F212 PolarHBondContact O-N 3.5Å; L210-L225 HydrophobicContact CD1-CD2 4.4Å; L210-W229 HydrophobicContact CD1-CH2 4.35Å
211N77.7Confident75Confident39 Ų3965.7 Ų65.721%0.20936%0.356CS..THydrogen-bonded Turntrans54.339.6178.5-171.441.3000113.1F164 A207 E208 L209 K213F164-N211 VanDerWaalsContact CB-ND2 3.35Å; F164-N211 WeakPolarHBondContact CB-ND2 3.11Å; F164-N211 HydrophobicContact CD1-CB 4.4Å; F164-N211 VanDerWaalsContact CD1-ND2 3.32Å; F164-N211 WeakPolarHBondContact CD1-ND2 3.44Å; F164-N211 HydrophobicContact CD2-CB 3.73Å; F164-N211 HydrophobicContact CE1-CB 4.34Å; F164-N211 HydrophobicContact CE2-CB 3.66Å; F164-N211 HydrophobicContact CG-CB 4.13Å; F164-N211 WeakPolarHBondContact CG-ND2 3.35Å; F164-N211 HydrophobicContact CZ-CB 3.98Å; A207-N211 PolarHBondContact O-N 3.45Å; A207-N211 VanDerWaalsContact O-N 3.14Å; E208-N211 PolarHBondContact O-N 2.88Å; E208-N211 VanDerWaalsContact O-N 3.08Å; L209-N211 PolarHBondContact O-N 3.33Å; N211-K213 PolarHBondContact O-N 3.19Å; N211-K213 WeakPolarHBondContact OD1-CE 3.17Å
212F73.4Confident74.4Confident22 Ų2266.8 Ų66.810%0.09636%0.362CS..  trans-77.9107.9169.2-73.3-77.6000109.1R187 A207 L210 A217 D220 L221 F224R187-F212 VanDerWaalsContact NH1-CE1 3.29Å; A207-F212 PolarHBondContact O-N 3Å; L210-F212 VanDerWaalsContact C-N 3.27Å; L210-F212 HydrophobicContact CB-CD2 3.54Å; L210-F212 HydrophobicContact CB-CE2 3.59Å; L210-F212 HydrophobicContact CD1-CD2 4.47Å; L210-F212 HydrophobicContact CD1-CE2 3.99Å; L210-F212 HydrophobicContact CG-CE2 4.36Å; L210-F212 PolarHBondContact O-N 3.5Å; F212-A217 HydrophobicContact CB-CB 3.68Å; F212-A217 WeakPolarHBondContact O-CB 3.06Å; F212-D220 HydrophobicContact CD1-CB 4.09Å; F212-D220 HydrophobicContact CE1-CB 3.9Å; F212-L221 HydrophobicContact CD2-CB 4.07Å; F212-L221 HydrophobicContact CD2-CD1 4.17Å; F212-L221 HydrophobicContact CE2-CB 4.16Å; F212-F224 HydrophobicContact CZ-CB 4.4Å
213K69.8Low74Confident182 Ų18266.1 Ų66.179%0.79137%0.365SS*.  trans-107126.2176.7-67.5-180175.9168.90110.3N211N211-K213 PolarHBondContact O-N 3.19Å; N211-K213 WeakPolarHBondContact OD1-CE 3.17Å
214G66.2Low73.4Confident49 Ų4967.3 Ų67.351%0.50537%0.367SS..SBendtrans133.1173.1170.500000114.2S216 A217G214-S216 PolarHBondContact O-N 2.85Å; G214-A217 WeakPolarHBondContact O-CB 3.24Å; G214-A217 PolarHBondContact O-N 2.95Å; G214-A217 VanDerWaalsContact O-N 3.1Å
215P61Low72.9Confident145 Ų14563.8 Ų63.894%0.94234%0.343SS*.THydrogen-bonded Turntrans-68.4-20.6-178.827.6-33.9000113.3
216S68.5Low72.1Confident51 Ų5164.5 Ų64.536%0.35736%0.357SS..THydrogen-bonded Turntrans-89.7-3.8173.7-157.70000113.5G214 I218 K219 D220G214-S216 PolarHBondContact O-N 2.85Å; S216-I218 PolarHBondContact O-N 3.37Å; S216-I218 VanDerWaalsContact O-N 3.07Å; S216-K219 WeakPolarHBondContact O-CA 3.4Å; S216-K219 PolarHBondContact O-N 3.19Å; S216-D220 PolarHBondContact O-N 3.43Å; S216-D220 PolarHBondContact OG-OD1 2.99Å
217A64.2Low71.5Confident9 Ų972.9 Ų72.97%0.07440%0.397CS..Hα-helixtrans-52.5-39.7-17400000113F212 G214 L221F212-A217 HydrophobicContact CB-CB 3.68Å; F212-A217 WeakPolarHBondContact O-CB 3.06Å; G214-A217 WeakPolarHBondContact O-CB 3.24Å; G214-A217 PolarHBondContact O-N 2.95Å; G214-A217 VanDerWaalsContact O-N 3.1Å; A217-L221 WeakPolarHBondContact O-CB 3.46Å; A217-L221 PolarHBondContact O-N 2.68Å
218I65.9Low70.9Confident100 Ų10076.8 Ų76.851%0.51341%0.408SS..Hα-helixtrans-70.1-35.4-179.7-57.3171000111.1S216 N222S216-I218 PolarHBondContact O-N 3.37Å; S216-I218 VanDerWaalsContact O-N 3.07Å; I218-N222 VanDerWaalsContact O-CB 3.31Å; I218-N222 WeakPolarHBondContact O-CB 3.31Å; I218-N222 PolarHBondContact O-N 3.16Å; I218-N222 PolarHBondContact O-ND2 3.49Å; I218-N222 PolarHBondContact O-OD1 2.94Å
219K70.3Confident70.5Confident146 Ų14670.1 Ų70.164%0.63538%0.376SS*.Hα-helixtrans-71.3-48.7177.2-67.1-173.6178.3-177.10110.8S216 L221 N222 D223S216-K219 WeakPolarHBondContact O-CA 3.4Å; S216-K219 PolarHBondContact O-N 3.19Å; K219-L221 VanDerWaalsContact C-N 3.27Å; K219-L221 PolarHBondContact O-N 3.23Å; K219-N222 CarbonylContact O-C 3.42Å; K219-N222 WeakPolarHBondContact O-CA 3.36Å; K219-N222 WeakPolarHBondContact O-CB 3.44Å; K219-N222 PolarHBondContact O-N 3.38Å; K219-D223 PolarHBondContact O-N 2.93Å
220D70.5Confident70Confident73 Ų7373 Ų7339%0.3939%0.388SS..Hα-helixtrans-63-37.7-179.8-55-1.8000111F212 S216 D223 F224F212-D220 HydrophobicContact CD1-CB 4.09Å; F212-D220 HydrophobicContact CE1-CB 3.9Å; S216-D220 PolarHBondContact O-N 3.43Å; S216-D220 PolarHBondContact OG-OD1 2.99Å; D220-D223 PolarHBondContact O-N 2.66Å; D220-F224 VanDerWaalsContact O-CB 3.24Å; D220-F224 WeakPolarHBondContact O-CB 3.06Å; D220-F224 PolarHBondContact O-N 3.08Å
221L69.4Low69.5Low0 Ų079.3 Ų79.30%041%0.412CS..Hα-helixtrans-64-42.4171.9177.8146.7000111.3V203 A206 A207 F212 A217 K219 F224 L225 F238V203-L221 HydrophobicContact CG1-CD2 4.31Å; A206-L221 HydrophobicContact CB-CD1 4.11Å; A207-L221 HydrophobicContact CB-CD1 3.91Å; F212-L221 HydrophobicContact CD2-CB 4.07Å; F212-L221 HydrophobicContact CD2-CD1 4.17Å; F212-L221 HydrophobicContact CE2-CB 4.16Å; A217-L221 WeakPolarHBondContact O-CB 3.46Å; A217-L221 PolarHBondContact O-N 2.68Å; K219-L221 VanDerWaalsContact C-N 3.27Å; K219-L221 PolarHBondContact O-N 3.23Å; L221-F224 PolarHBondContact O-N 3.05Å; L221-L225 HydrophobicContact CD1-CD1 4.26Å; L221-L225 HydrophobicContact CD2-CD1 3.45Å; L221-L225 VanDerWaalsContact CD2-CD1 3.45Å; L221-L225 HydrophobicContact CD2-CG 4.45Å; L221-L225 HydrophobicContact CG-CD1 3.52Å; L221-L225 HydrophobicContact CG-CG 4.27Å; L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 WeakPolarHBondContact O-CG 3.46Å; L221-L225 PolarHBondContact O-N 3.22Å; L221-F238 HydrophobicContact CD2-CE2 4.03Å; L221-F238 HydrophobicContact CD2-CZ 3.88Å
222N68.9Low69Low37 Ų3778.8 Ų78.820%0.19841%0.409CS..Hα-helixtrans-66.5-39.7178.2-69.8-23.6000112.3I218 K219 A226 R231I218-N222 VanDerWaalsContact O-CB 3.31Å; I218-N222 WeakPolarHBondContact O-CB 3.31Å; I218-N222 PolarHBondContact O-N 3.16Å; I218-N222 PolarHBondContact O-ND2 3.49Å; I218-N222 PolarHBondContact O-OD1 2.94Å; K219-N222 CarbonylContact O-C 3.42Å; K219-N222 WeakPolarHBondContact O-CA 3.36Å; K219-N222 WeakPolarHBondContact O-CB 3.44Å; K219-N222 PolarHBondContact O-N 3.38Å; N222-A226 WeakPolarHBondContact O-CA 3.4Å; N222-A226 WeakPolarHBondContact O-CB 3.19Å; N222-A226 PolarHBondContact O-N 2.96Å; N222-R231 PolarHBondContact ND2-NH2 2.93Å; N222-R231 VanDerWaalsContact ND2-NH2 3.19Å; N222-R231 PolarHBondContact OD1-NH2 2.79Å
223D74.3Confident68.5Low120 Ų12084.2 Ų84.264%0.64245%0.447SS*.Hα-helixtrans-68.5-40.2177.9-65.8-16.9000110.7K219 D220K219-D223 PolarHBondContact O-N 2.93Å; D220-D223 PolarHBondContact O-N 2.66Å
224F68.3Low68.3Low55 Ų5582.3 Ų82.324%0.24145%0.446CS..Hα-helixtrans-68.9-37.7177.2-171-100.8000112.8R187 D188 A191 F212 D220 L221R187-F224 HydrophobicContact CB-CE1 4.42Å; R187-F224 HydrophobicContact CB-CZ 4.04Å; D188-F224 WeakPolarHBondContact OD1-CZ 3.49Å; A191-F224 HydrophobicContact CB-CE1 4.31Å; F212-F224 HydrophobicContact CZ-CB 4.4Å; D220-F224 VanDerWaalsContact O-CB 3.24Å; D220-F224 WeakPolarHBondContact O-CB 3.06Å; D220-F224 PolarHBondContact O-N 3.08Å; L221-F224 PolarHBondContact O-N 3.05Å
225L70.2Confident68.5Low2 Ų282 Ų821%0.0144%0.443CS..Hα-helixtrans-91.2-13.3-176.3-64.5177.9000113.9L210 L221 E227 R228 W229 F238L210-L225 HydrophobicContact CD1-CD2 4.4Å; L221-L225 HydrophobicContact CD1-CD1 4.26Å; L221-L225 HydrophobicContact CD2-CD1 3.45Å; L221-L225 VanDerWaalsContact CD2-CD1 3.45Å; L221-L225 HydrophobicContact CD2-CG 4.45Å; L221-L225 HydrophobicContact CG-CD1 3.52Å; L221-L225 HydrophobicContact CG-CG 4.27Å; L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 WeakPolarHBondContact O-CG 3.46Å; L221-L225 PolarHBondContact O-N 3.22Å; L225-E227 PolarHBondContact O-N 2.88Å; L225-E227 VanDerWaalsContact O-N 3.09Å; L225-R228 PolarHBondContact O-N 3.12Å; L225-W229 HydrophobicContact CB-CB 4.47Å; L225-W229 HydrophobicContact CD1-CD2 4.1Å; L225-W229 HydrophobicContact CD1-CE3 3.38Å; L225-W229 HydrophobicContact CD1-CH2 4.47Å; L225-W229 HydrophobicContact CD1-CZ3 3.58Å; L225-W229 HydrophobicContact CD2-CD2 3.43Å; L225-W229 VanDerWaalsContact CD2-CD2 3.43Å; L225-W229 HydrophobicContact CD2-CE3 3.56Å; L225-W229 HydrophobicContact CD2-CG 3.97Å; L225-W229 HydrophobicContact CD2-CH2 4.04Å; L225-W229 HydrophobicContact CD2-CZ2 3.99Å; L225-W229 HydrophobicContact CD2-CZ3 3.85Å; L225-W229 HydrophobicContact CG-CD2 4.24Å; L225-W229 HydrophobicContact CG-CE3 4.01Å; L225-W229 HydrophobicContact CG-CZ3 4.36Å; L225-W229 PolarHBondContact O-N 2.98Å; L225-F238 HydrophobicContact CB-CE1 4.35Å; L225-F238 HydrophobicContact CB-CZ 4.42Å; L225-F238 HydrophobicContact CD1-CD2 4.5Å; L225-F238 HydrophobicContact CD1-CE1 4.02Å; L225-F238 HydrophobicContact CD1-CE2 3.74Å; L225-F238 HydrophobicContact CD1-CZ 3.46Å; L225-F238 VanDerWaalsContact CD1-CZ 3.46Å
226A66.2Low68.8Low80 Ų8078.8 Ų78.866%0.66142%0.424SS*.THydrogen-bonded Turntrans-55.3-28.7179.500000112.6N222N222-A226 WeakPolarHBondContact O-CA 3.4Å; N222-A226 WeakPolarHBondContact O-CB 3.19Å; N222-A226 PolarHBondContact O-N 2.96Å
227E69.7Low69Low177 Ų17776.7 Ų76.783%0.82741%0.41SS*.THydrogen-bonded Turntrans-86.5-15.7179.8-64-173.5169.100113.7L225L225-E227 PolarHBondContact O-N 2.88Å; L225-E227 VanDerWaalsContact O-N 3.09Å
228R67.9Low69.4Low98 Ų9876.3 Ų76.337%0.3741%0.406SS..THydrogen-bonded Turntrans-123.3-38.6-167.9-63.2-165.1-174.1173.317.1115.7D188 D192 L225D188-R228 IonicContact OD1-CZ 3.41Å; D188-R228 IonicContact OD1-NH1 3.47Å; D188-R228 PolarHBondContact OD1-NH1 3.48Å; D188-R228 IonicContact OD1-NH2 2.74Å; D188-R228 PolarHBondContact OD1-NH2 3.1Å; D192-R228 IonicContact OD1-NH1 2.94Å; D192-R228 PolarHBondContact OD1-NH1 3.32Å; L225-R228 PolarHBondContact O-N 3.12Å
229W76Confident69.7Low16 Ų1674.5 Ų74.56%0.06140%0.4CS..  trans-115.8127.1-166.1-64-4000112.9A191 I194 L201 A206 L210 L225 F238 F240A191-W229 HydrophobicContact CB-CZ2 3.95Å; I194-W229 HydrophobicContact CB-CH2 3.9Å; I194-W229 HydrophobicContact CB-CZ2 3.81Å; I194-W229 HydrophobicContact CD1-CH2 3.83Å; I194-W229 HydrophobicContact CD1-CZ2 4.38Å; I194-W229 HydrophobicContact CG1-CH2 4.48Å; I194-W229 HydrophobicContact CG2-CH2 3.44Å; I194-W229 VanDerWaalsContact CG2-CH2 3.44Å; I194-W229 HydrophobicContact CG2-CZ2 3.64Å; I194-W229 HydrophobicContact CG2-CZ3 4.25Å; L201-W229 HydrophobicContact CD2-CZ3 4.44Å; A206-W229 HydrophobicContact CB-CZ3 4.11Å; L210-W229 HydrophobicContact CD1-CH2 4.35Å; L225-W229 HydrophobicContact CB-CB 4.47Å; L225-W229 HydrophobicContact CD1-CD2 4.1Å; L225-W229 HydrophobicContact CD1-CE3 3.38Å; L225-W229 HydrophobicContact CD1-CH2 4.47Å; L225-W229 HydrophobicContact CD1-CZ3 3.58Å; L225-W229 HydrophobicContact CD2-CD2 3.43Å; L225-W229 VanDerWaalsContact CD2-CD2 3.43Å; L225-W229 HydrophobicContact CD2-CE3 3.56Å; L225-W229 HydrophobicContact CD2-CG 3.97Å; L225-W229 HydrophobicContact CD2-CH2 4.04Å; L225-W229 HydrophobicContact CD2-CZ2 3.99Å; L225-W229 HydrophobicContact CD2-CZ3 3.85Å; L225-W229 HydrophobicContact CG-CD2 4.24Å; L225-W229 HydrophobicContact CG-CE3 4.01Å; L225-W229 HydrophobicContact CG-CZ3 4.36Å; L225-W229 PolarHBondContact O-N 2.98Å; W229-F238 HydrophobicContact CB-CB 4.48Å; W229-F238 HydrophobicContact CB-CD1 3.58Å; W229-F238 HydrophobicContact CB-CE1 4.09Å; W229-F238 HydrophobicContact CB-CG 4.23Å; W229-F238 HydrophobicContact CD2-CG 4.48Å; W229-F238 HydrophobicContact CE3-CB 4.01Å; W229-F238 AromaticContact CE3-CD1 3.92Å; W229-F238 HydrophobicContact CE3-CD1 3.92Å; W229-F238 AromaticContact CE3-CD2 3.7Å; W229-F238 HydrophobicContact CE3-CD2 3.7Å; W229-F238 HydrophobicContact CE3-CE1 4.3Å; W229-F238 HydrophobicContact CE3-CE2 4.11Å; W229-F238 AromaticContact CE3-CG 3.59Å; W229-F238 HydrophobicContact CE3-CG 3.59Å; W229-F238 HydrophobicContact CE3-CZ 4.4Å; W229-F238 HydrophobicContact CG-CD1 4.49Å; W229-F238 HydrophobicContact CZ3-CD2 4.05Å; W229-F238 HydrophobicContact CZ3-CE2 4.41Å; W229-F238 HydrophobicContact CZ3-CG 4.36Å; W229-F240 HydrophobicContact CB-CE1 4.18Å; W229-F240 AromaticContact CD1-CE1 3.58Å; W229-F240 AromaticContact CD2-CE1 3.31Å; W229-F240 HydrophobicContact CD2-CE1 3.31Å; W229-F240 AromaticContact CD2-CZ 3.51Å; W229-F240 HydrophobicContact CD2-CZ 3.51Å; W229-F240 AromaticContact CE2-CE1 3.42Å; W229-F240 VanDerWaalsContact CE2-CE1 3.42Å; W229-F240 AromaticContact CE2-CZ 3.66Å; W229-F240 AromaticContact CE3-CE1 3.81Å; W229-F240 HydrophobicContact CE3-CE1 3.81Å; W229-F240 AromaticContact CE3-CZ 3.49Å; W229-F240 HydrophobicContact CE3-CZ 3.49Å; W229-F240 VanDerWaalsContact CE3-CZ 3.49Å; W229-F240 HydrophobicContact CG-CD1 4.5Å; W229-F240 AromaticContact CG-CE1 3.48Å; W229-F240 HydrophobicContact CG-CE1 3.48Å; W229-F240 VanDerWaalsContact CG-CE1 3.48Å; W229-F240 HydrophobicContact CG-CZ 4.14Å; W229-F240 HydrophobicContact CH2-CE1 4.5Å; W229-F240 AromaticContact CH2-CZ 3.91Å; W229-F240 HydrophobicContact CH2-CZ 3.91Å; W229-F240 HydrophobicContact CZ2-CE1 4.02Å; W229-F240 AromaticContact CZ2-CZ 3.85Å; W229-F240 HydrophobicContact CZ2-CZ 3.85Å; W229-F240 HydrophobicContact CZ3-CE1 4.39Å; W229-F240 AromaticContact CZ3-CZ 3.72Å; W229-F240 HydrophobicContact CZ3-CZ 3.72Å; W229-F240 AromaticContact NE1-CE1 3.56Å
230E70.5Confident69.8Low133 Ų13367.9 Ų67.962%0.62137%0.371SS*.PPolyproline II helixtrans-74.8129.1172.6-66.5-173.4163.700110.6F238 V239E230-F238 WeakPolarHBondContact O-CA 3.26Å; E230-V239 PolarHBondContact O-N 3.11Å; E230-V239 VanDerWaalsContact O-N 3.13Å
231R70.9Confident69.5Low132 Ų13271.3 Ų71.350%0.49839%0.385SS..BIsolated β-bridgetrans-80.2142.7173.9-69.8-168.9-173.617310.4110.9N222 F238N222-R231 PolarHBondContact ND2-NH2 2.93Å; N222-R231 VanDerWaalsContact ND2-NH2 3.19Å; N222-R231 PolarHBondContact OD1-NH2 2.79Å; R231-F238 HydrophobicContact CG-CD1 3.94Å; R231-F238 HydrophobicContact CG-CE1 3.7Å
232T67.3Low69Low27 Ų2775.6 Ų75.617%0.16641%0.413CS..PPolyproline II helixtrans-52.5144.6161.748.70000110.5D234 G235 S236 G237 V239T232-D234 PolarHBondContact O-N 2.97Å; T232-D234 VanDerWaalsContact O-N 3.11Å; T232-G235 PolarHBondContact O-N 2.93Å; T232-S236 PolarHBondContact OG1-N 3.09Å; T232-G237 WeakPolarHBondContact CB-O 3.48Å; T232-G237 WeakPolarHBondContact CG2-O 3.43Å; T232-G237 PolarHBondContact N-O 2.91Å; T232-G237 PolarHBondContact OG1-N 3.13Å; T232-G237 VanDerWaalsContact OG1-N 3.12Å; T232-G237 PolarHBondContact OG1-O 3.46Å; T232-V239 HydrophobicContact CG2-CG2 3.17Å
233P63Low68.4Low137 Ų13781.4 Ų81.489%0.8944%0.439SS*.THydrogen-bonded Turntrans-54.3-28.9172.7-25.533.7000113.4G235P233-G235 VanDerWaalsContact C-N 3.26Å; P233-G235 PolarHBondContact O-N 3.4Å
234D66Low67.4Low142 Ų14284.8 Ų84.876%0.75945%0.448SS*.THydrogen-bonded Turntrans-79.1-4.9179.2-62.5-24.1000113.5T232 S236T232-D234 PolarHBondContact O-N 2.97Å; T232-D234 VanDerWaalsContact O-N 3.11Å; D234-S236 PolarHBondContact O-N 2.87Å
235G69.4Low66.6Low43 Ų4388.2 Ų88.244%0.44347%0.473SS..SBendtrans64.53.9179.100000115.2T232 P233T232-G235 PolarHBondContact O-N 2.93Å; P233-G235 VanDerWaalsContact C-N 3.26Å; P233-G235 PolarHBondContact O-N 3.4Å
236S68.2Low65.8Low77 Ų7795.4 Ų95.454%0.53851%0.51SS..SBendtrans-89.3-14-173.662.50000113.6V203 T232 D234V203-S236 PolarHBondContact N-O 3.46Å; T232-S236 PolarHBondContact OG1-N 3.09Å; D234-S236 PolarHBondContact O-N 2.87Å
237G72.1Confident65.1Low6 Ų699.2 Ų99.26%0.06251%0.514CS..EExtended strand (participates in β ladder)trans-164.8176.9177.800000114.3L201 T232L201-G237 CarbonylContact O-C 3.6Å; L201-G237 WeakPolarHBondContact O-CA 3.22Å; T232-G237 WeakPolarHBondContact CB-O 3.48Å; T232-G237 WeakPolarHBondContact CG2-O 3.43Å; T232-G237 PolarHBondContact N-O 2.91Å; T232-G237 PolarHBondContact OG1-N 3.13Å; T232-G237 VanDerWaalsContact OG1-N 3.12Å; T232-G237 PolarHBondContact OG1-O 3.46Å
238F72.2Confident64.2Low2 Ų294.5 Ų94.51%0.00950%0.499CS..EExtended strand (participates in β ladder)trans-97.7140.3171.9-60.1-81.1000109S200 L201 V203 A206 L221 L225 W229 E230 R231 F240S200-F238 CarbonylContact C-O 3.53Å; S200-F238 WeakPolarHBondContact CA-O 3.27Å; L201-F238 PolarHBondContact N-O 3.46Å; L201-F238 PolarHBondContact O-N 3.23Å; V203-F238 HydrophobicContact CG2-CE2 4.09Å; A206-F238 HydrophobicContact CB-CD2 4.46Å; A206-F238 HydrophobicContact CB-CE2 4.36Å; L221-F238 HydrophobicContact CD2-CE2 4.03Å; L221-F238 HydrophobicContact CD2-CZ 3.88Å; L225-F238 HydrophobicContact CB-CE1 4.35Å; L225-F238 HydrophobicContact CB-CZ 4.42Å; L225-F238 HydrophobicContact CD1-CD2 4.5Å; L225-F238 HydrophobicContact CD1-CE1 4.02Å; L225-F238 HydrophobicContact CD1-CE2 3.74Å; L225-F238 HydrophobicContact CD1-CZ 3.46Å; L225-F238 VanDerWaalsContact CD1-CZ 3.46Å; W229-F238 HydrophobicContact CB-CB 4.48Å; W229-F238 HydrophobicContact CB-CD1 3.58Å; W229-F238 HydrophobicContact CB-CE1 4.09Å; W229-F238 HydrophobicContact CB-CG 4.23Å; W229-F238 HydrophobicContact CD2-CG 4.48Å; W229-F238 HydrophobicContact CE3-CB 4.01Å; W229-F238 AromaticContact CE3-CD1 3.92Å; W229-F238 HydrophobicContact CE3-CD1 3.92Å; W229-F238 AromaticContact CE3-CD2 3.7Å; W229-F238 HydrophobicContact CE3-CD2 3.7Å; W229-F238 HydrophobicContact CE3-CE1 4.3Å; W229-F238 HydrophobicContact CE3-CE2 4.11Å; W229-F238 AromaticContact CE3-CG 3.59Å; W229-F238 HydrophobicContact CE3-CG 3.59Å; W229-F238 HydrophobicContact CE3-CZ 4.4Å; W229-F238 HydrophobicContact CG-CD1 4.49Å; W229-F238 HydrophobicContact CZ3-CD2 4.05Å; W229-F238 HydrophobicContact CZ3-CE2 4.41Å; W229-F238 HydrophobicContact CZ3-CG 4.36Å; E230-F238 WeakPolarHBondContact O-CA 3.26Å; R231-F238 HydrophobicContact CG-CD1 3.94Å; R231-F238 HydrophobicContact CG-CE1 3.7Å; F238-F240 HydrophobicContact CB-CE1 4.33Å; F238-F240 HydrophobicContact CB-CE2 4.26Å; F238-F240 HydrophobicContact CB-CZ 3.86Å
239V71.4Confident63.4Low62 Ų6295.7 Ų95.738%0.37651%0.513SS..EExtended strand (participates in β ladder)trans-108.2127.1169.7-172.30000107.2E230 T232E230-V239 PolarHBondContact O-N 3.11Å; E230-V239 VanDerWaalsContact O-N 3.13Å; T232-V239 HydrophobicContact CG2-CG2 3.17Å
240F73.5Confident62.5Low7 Ų7103 Ų1033%0.03154%0.541CS..  trans-100125.8170.9-54.3-68.1000106.8I194 E195 Y198 S199 L201 W229 F238 P242I194-F240 HydrophobicContact CG2-CE1 4.5Å; I194-F240 HydrophobicContact CG2-CE2 3.61Å; I194-F240 HydrophobicContact CG2-CZ 3.59Å; E195-F240 HydrophobicContact CB-CD1 4.08Å; E195-F240 HydrophobicContact CB-CE1 4.4Å; E195-F240 HydrophobicContact CG-CD1 3.95Å; Y198-F240 VanDerWaalsContact O-CB 3.26Å; Y198-F240 WeakPolarHBondContact O-CB 3.16Å; Y198-F240 VanDerWaalsContact O-CD2 3.27Å; Y198-F240 WeakPolarHBondContact O-CD2 3.28Å; S199-F240 PolarHBondContact O-N 2.92Å; L201-F240 HydrophobicContact CB-CE2 3.84Å; W229-F240 HydrophobicContact CB-CE1 4.18Å; W229-F240 AromaticContact CD1-CE1 3.58Å; W229-F240 AromaticContact CD2-CE1 3.31Å; W229-F240 HydrophobicContact CD2-CE1 3.31Å; W229-F240 AromaticContact CD2-CZ 3.51Å; W229-F240 HydrophobicContact CD2-CZ 3.51Å; W229-F240 AromaticContact CE2-CE1 3.42Å; W229-F240 VanDerWaalsContact CE2-CE1 3.42Å; W229-F240 AromaticContact CE2-CZ 3.66Å; W229-F240 AromaticContact CE3-CE1 3.81Å; W229-F240 HydrophobicContact CE3-CE1 3.81Å; W229-F240 AromaticContact CE3-CZ 3.49Å; W229-F240 HydrophobicContact CE3-CZ 3.49Å; W229-F240 VanDerWaalsContact CE3-CZ 3.49Å; W229-F240 HydrophobicContact CG-CD1 4.5Å; W229-F240 AromaticContact CG-CE1 3.48Å; W229-F240 HydrophobicContact CG-CE1 3.48Å; W229-F240 VanDerWaalsContact CG-CE1 3.48Å; W229-F240 HydrophobicContact CG-CZ 4.14Å; W229-F240 HydrophobicContact CH2-CE1 4.5Å; W229-F240 AromaticContact CH2-CZ 3.91Å; W229-F240 HydrophobicContact CH2-CZ 3.91Å; W229-F240 HydrophobicContact CZ2-CE1 4.02Å; W229-F240 AromaticContact CZ2-CZ 3.85Å; W229-F240 HydrophobicContact CZ2-CZ 3.85Å; W229-F240 HydrophobicContact CZ3-CE1 4.39Å; W229-F240 AromaticContact CZ3-CZ 3.72Å; W229-F240 HydrophobicContact CZ3-CZ 3.72Å; W229-F240 AromaticContact NE1-CE1 3.56Å; F238-F240 HydrophobicContact CB-CE1 4.33Å; F238-F240 HydrophobicContact CB-CE2 4.26Å; F238-F240 HydrophobicContact CB-CZ 3.86Å; F240-P242 WeakPolarHBondContact O-CD 3.16Å
241Q64.8Low62Low144 Ų144101.4 Ų101.467%0.67354%0.541SS*.  trans-70.8112.6165-63.5-177.325.600105.1Q243Q241-Q243 PolarHBondContact O-N 2.86Å
242P58.5Low61.7Low91 Ų91101.4 Ų101.459%0.59155%0.551SS**  trans-54.5124.4171.423.9-31.4000105.5F240 K244F240-P242 WeakPolarHBondContact O-CD 3.16Å; P242-K244 PolarHBondContact O-N 2.71Å
243Q55.6Low62Low159 Ų159103.9 Ų103.974%0.74356%0.563SS**  trans-45.1119165.8-85.8-171.4-29.100104.8Q241 V245Q241-Q243 PolarHBondContact O-N 2.86Å; Q243-V245 PolarHBondContact O-N 3.02Å
244K53.8Low62.8Low191 Ų191101.9 Ų101.983%0.8354%0.544SS*.  trans-40.8117.1178.8-80.1176.6176.2177.40104.9P242 L246P242-K244 PolarHBondContact O-N 2.71Å; K244-L246 PolarHBondContact O-N 2.73Å
245V51.9Low63.6Low126 Ų12698.5 Ų98.576%0.76453%0.532SS*.  trans-49.1109163.6177.50000101.7Q243 E247Q243-V245 PolarHBondContact O-N 3.02Å; V245-E247 PolarHBondContact O-N 2.89Å
246L52.9Low64.5Low154 Ų154101.4 Ų101.481%0.80653%0.534SS*.  trans-60.590.5161.4-72.8162.5000100.3K244 P248K244-L246 PolarHBondContact O-N 2.73Å; L246-P248 VanDerWaalsContact C-N 3.3Å; L246-P248 VanDerWaalsContact O-CD 3.3Å; L246-P248 WeakPolarHBondContact O-CD 3.3Å
247E52.1Low65.4Low159 Ų159100.6 Ų100.674%0.74352%0.523SS*.  trans-45115.8152.7-73-173.7163.700101.9V245 D249V245-E247 PolarHBondContact O-N 2.89Å; E247-D249 PolarHBondContact O-N 3.1Å
248P51.2Low66.3Low78 Ų78103.7 Ų103.751%0.50654%0.54SS..  trans-53.8114.9-177.920-30.4000104.4L246 Y250L246-P248 VanDerWaalsContact C-N 3.3Å; L246-P248 VanDerWaalsContact O-CD 3.3Å; L246-P248 WeakPolarHBondContact O-CD 3.3Å; P248-Y250 HydrophobicContact CB-CD2 4.32Å; P248-Y250 HydrophobicContact CB-CE2 4.25Å; P248-Y250 HydrophobicContact CG-CD2 3.94Å; P248-Y250 HydrophobicContact CG-CE2 3.47Å; P248-Y250 VanDerWaalsContact CG-CE2 3.47Å; P248-Y250 VanDerWaalsContact O-CD2 3.28Å; P248-Y250 WeakPolarHBondContact O-CD2 3.28Å; P248-Y250 PolarHBondContact O-N 2.66Å
249D51.1Low67.2Low123 Ų123110.2 Ų110.266%0.65857%0.571SS**  trans-65.380.8167.4-91.1-32.3000103.9E247 V251 D252E247-D249 PolarHBondContact O-N 3.1Å; D249-V251 PolarHBondContact O-N 2.9Å; D249-D252 PolarHBondContact O-N 2.79Å; D249-D252 VanDerWaalsContact O-N 3.1Å
250Y56.1Low68.2Low169 Ų169112.1 Ų112.166%0.66358%0.576SS**Hα-helixtrans-52.7-19.3174.4-78.3-77.5000110P248 D252 D253 L254P248-Y250 HydrophobicContact CB-CD2 4.32Å; P248-Y250 HydrophobicContact CB-CE2 4.25Å; P248-Y250 HydrophobicContact CG-CD2 3.94Å; P248-Y250 HydrophobicContact CG-CE2 3.47Å; P248-Y250 VanDerWaalsContact CG-CE2 3.47Å; P248-Y250 VanDerWaalsContact O-CD2 3.28Å; P248-Y250 WeakPolarHBondContact O-CD2 3.28Å; P248-Y250 PolarHBondContact O-N 2.66Å; Y250-D252 VanDerWaalsContact C-N 3.33Å; Y250-D252 PolarHBondContact O-N 3.41Å; Y250-D253 PolarHBondContact O-N 2.86Å; Y250-L254 WeakPolarHBondContact O-CG 3.38Å; Y250-L254 PolarHBondContact O-N 2.91Å
251V60.6Low69.1Low101 Ų101117.7 Ų117.761%0.61260%0.602SS**Hα-helixtrans-57-38.2177.4-167.60000113D249D249-V251 PolarHBondContact O-N 2.9Å
252D63.4Low70.4Confident131 Ų131116.3 Ų116.370%0.70160%0.598SS**Hα-helixtrans-72-36.1177.9-86.9-12000111.6D249 Y250 S255D249-D252 PolarHBondContact O-N 2.79Å; D249-D252 VanDerWaalsContact O-N 3.1Å; Y250-D252 VanDerWaalsContact C-N 3.33Å; Y250-D252 PolarHBondContact O-N 3.41Å; D252-S255 PolarHBondContact O-OG 2.84Å
253D73.9Confident72.1Confident79 Ų79118.4 Ų118.442%0.42260%0.595SS.*Hα-helixtrans-76.7-21.9179.4-125.19.8000112.8Y250 S255 Q256 I257Y250-D253 PolarHBondContact O-N 2.86Å; D253-S255 PolarHBondContact O-N 3.39Å; D253-Q256 PolarHBondContact O-N 3.24Å; D253-Q256 VanDerWaalsContact O-N 3.13Å; D253-I257 HydrophobicContact CB-CD1 4.35Å; D253-I257 WeakPolarHBondContact O-CB 3.46Å; D253-I257 VanDerWaalsContact O-CG1 3.25Å; D253-I257 WeakPolarHBondContact O-CG1 3.29Å; D253-I257 PolarHBondContact O-N 2.83Å
254L79.3Confident73.8Confident95 Ų95116.4 Ų116.450%0.49758%0.584SS.*Hα-helixtrans-56.9-38.1175.9-79175.8000111.9Y250 I257 V258Y250-L254 WeakPolarHBondContact O-CG 3.38Å; Y250-L254 PolarHBondContact O-N 2.91Å; L254-I257 PolarHBondContact O-N 3.46Å; L254-V258 VanDerWaalsContact O-CB 3.3Å; L254-V258 WeakPolarHBondContact O-CB 3.09Å; L254-V258 WeakPolarHBondContact O-CG2 3.48Å; L254-V258 PolarHBondContact O-N 2.86Å
255S84.3Confident75.7Confident71 Ų71109.5 Ų109.550%0.49756%0.563SS.*Hα-helixtrans-64.9-41.1178.770.10000112D252 D253 Q259D252-S255 PolarHBondContact O-OG 2.84Å; D253-S255 PolarHBondContact O-N 3.39Å; S255-Q259 WeakPolarHBondContact O-CB 3.48Å; S255-Q259 WeakPolarHBondContact O-CG 3.26Å; S255-Q259 PolarHBondContact O-N 2.85Å
256Q86.6Confident77.7Confident104 Ų104110.3 Ų110.349%0.48656%0.556SS.*Hα-helixtrans-70.2-43.2176.7-63.3-168.419.100111.2D253 V258 Q259 Q260D253-Q256 PolarHBondContact O-N 3.24Å; D253-Q256 VanDerWaalsContact O-N 3.13Å; Q256-V258 VanDerWaalsContact C-N 3.33Å; Q256-V258 PolarHBondContact O-N 3.46Å; Q256-Q259 PolarHBondContact O-N 3.33Å; Q256-Q260 WeakPolarHBondContact O-CB 3.25Å; Q256-Q260 VanDerWaalsContact O-CG 3.31Å; Q256-Q260 WeakPolarHBondContact O-CG 3.25Å; Q256-Q260 PolarHBondContact O-N 3.22Å
257I88.4Confident79.4Confident61 Ų61108 Ų10831%0.31354%0.542SS..Hα-helixtrans-60.9-43.9176.3-66.7165.4000110.2D253 L254 Q260 Q261D253-I257 HydrophobicContact CB-CD1 4.35Å; D253-I257 WeakPolarHBondContact O-CB 3.46Å; D253-I257 VanDerWaalsContact O-CG1 3.25Å; D253-I257 WeakPolarHBondContact O-CG1 3.29Å; D253-I257 PolarHBondContact O-N 2.83Å; L254-I257 PolarHBondContact O-N 3.46Å; I257-Q260 PolarHBondContact O-N 2.95Å; I257-Q261 HydrophobicContact CG2-CG 4.43Å; I257-Q261 WeakPolarHBondContact O-CB 3.31Å; I257-Q261 VanDerWaalsContact O-CG 3.29Å; I257-Q261 WeakPolarHBondContact O-CG 3.39Å; I257-Q261 PolarHBondContact O-N 3.21Å
258V90.3Very high81.3Confident71 Ų71107.9 Ų107.943%0.4355%0.545SS..Hα-helixtrans-64.4-41.5176.2169.40000111.2L254 Q256 Q261 L262L254-V258 VanDerWaalsContact O-CB 3.3Å; L254-V258 WeakPolarHBondContact O-CB 3.09Å; L254-V258 WeakPolarHBondContact O-CG2 3.48Å; L254-V258 PolarHBondContact O-N 2.86Å; Q256-V258 VanDerWaalsContact C-N 3.33Å; Q256-V258 PolarHBondContact O-N 3.46Å; V258-Q261 PolarHBondContact O-N 3.13Å; V258-L262 HydrophobicContact CG1-CD1 3.83Å; V258-L262 HydrophobicContact CG1-CG 4.44Å; V258-L262 WeakPolarHBondContact O-CB 3.41Å; V258-L262 WeakPolarHBondContact O-CG 3.35Å; V258-L262 PolarHBondContact O-N 2.97Å
259Q91.9Very high83Confident138 Ų138112 Ų11265%0.64556%0.558SS**Hα-helixtrans-63.2-42174.3-78.4-177.7-1.400112.4S255 Q256 L262 Y263S255-Q259 WeakPolarHBondContact O-CB 3.48Å; S255-Q259 WeakPolarHBondContact O-CG 3.26Å; S255-Q259 PolarHBondContact O-N 2.85Å; Q256-Q259 PolarHBondContact O-N 3.33Å; Q259-L262 PolarHBondContact O-N 3.25Å; Q259-Y263 VanDerWaalsContact O-CB 3.26Å; Q259-Y263 WeakPolarHBondContact O-CB 3.25Å; Q259-Y263 PolarHBondContact O-N 3.08Å
260Q91.3Very high84.7Confident103 Ų103110 Ų11048%0.48155%0.55SS..Hα-helixtrans-63.6-44.5175.3-72.4175.56.800111Q256 I257 Y263 F264Q256-Q260 WeakPolarHBondContact O-CB 3.25Å; Q256-Q260 VanDerWaalsContact O-CG 3.31Å; Q256-Q260 WeakPolarHBondContact O-CG 3.25Å; Q256-Q260 PolarHBondContact O-N 3.22Å; I257-Q260 PolarHBondContact O-N 2.95Å; Q260-Y263 WeakPolarHBondContact O-CB 3.49Å; Q260-Y263 PolarHBondContact O-N 3.42Å; Q260-F264 HydrophobicContact CB-CE2 4.18Å; Q260-F264 WeakPolarHBondContact O-CD2 3.33Å; Q260-F264 VanDerWaalsContact O-CG 3.25Å; Q260-F264 WeakPolarHBondContact O-CG 3.36Å; Q260-F264 PolarHBondContact O-N 3.16Å
261Q93.1Very high85.4Confident123 Ų123109.7 Ų109.758%0.57556%0.558SS**Hα-helixtrans-62.9-42.8175.9-74179.46.900112.1I257 V258 Y263 F264 A265I257-Q261 HydrophobicContact CG2-CG 4.43Å; I257-Q261 WeakPolarHBondContact O-CB 3.31Å; I257-Q261 VanDerWaalsContact O-CG 3.29Å; I257-Q261 WeakPolarHBondContact O-CG 3.39Å; I257-Q261 PolarHBondContact O-N 3.21Å; V258-Q261 PolarHBondContact O-N 3.13Å; Q261-Y263 VanDerWaalsContact C-N 3.35Å; Q261-F264 PolarHBondContact O-N 3.03Å; Q261-A265 WeakPolarHBondContact O-CB 3.41Å; Q261-A265 PolarHBondContact O-N 2.97Å
262L93Very high85.3Confident115 Ų115114.3 Ų114.360%0.60259%0.586SS**Hα-helixtrans-63.7-39.5173.5-80.5164.9000111.9V258 Q259 A265 K266V258-L262 HydrophobicContact CG1-CD1 3.83Å; V258-L262 HydrophobicContact CG1-CG 4.44Å; V258-L262 WeakPolarHBondContact O-CB 3.41Å; V258-L262 WeakPolarHBondContact O-CG 3.35Å; V258-L262 PolarHBondContact O-N 2.97Å; Q259-L262 PolarHBondContact O-N 3.25Å; L262-A265 PolarHBondContact O-N 2.68Å; L262-K266 VanDerWaalsContact O-CB 3.25Å; L262-K266 WeakPolarHBondContact O-CB 3.16Å; L262-K266 PolarHBondContact O-N 2.87Å
263Y93.2Very high86.4Confident135 Ų135113.5 Ų113.553%0.52958%0.58SS.*Hα-helixtrans-64.3-45.4176.1-178.7-97.5000111.4Q259 Q260 Q261 K266 Q267Q259-Y263 VanDerWaalsContact O-CB 3.26Å; Q259-Y263 WeakPolarHBondContact O-CB 3.25Å; Q259-Y263 PolarHBondContact O-N 3.08Å; Q260-Y263 WeakPolarHBondContact O-CB 3.49Å; Q260-Y263 PolarHBondContact O-N 3.42Å; Q261-Y263 VanDerWaalsContact C-N 3.35Å; Y263-K266 PolarHBondContact O-N 3.47Å; Y263-Q267 HydrophobicContact CD1-CG 4.39Å; Y263-Q267 VanDerWaalsContact CE1-CD 3.5Å; Y263-Q267 HydrophobicContact CE1-CG 4.05Å; Y263-Q267 WeakPolarHBondContact O-CG 3.3Å; Y263-Q267 PolarHBondContact O-N 3.27Å; Y263-Q267 PolarHBondContact OH-NE2 3.47Å
264F92.6Very high87.1Confident117 Ų117115.3 Ų115.351%0.51359%0.588SS.*Hα-helixtrans-63.6-43.5175-64.4-40.8000112.1Q260 Q261 K266 Q267 L268Q260-F264 HydrophobicContact CB-CE2 4.18Å; Q260-F264 WeakPolarHBondContact O-CD2 3.33Å; Q260-F264 VanDerWaalsContact O-CG 3.25Å; Q260-F264 WeakPolarHBondContact O-CG 3.36Å; Q260-F264 PolarHBondContact O-N 3.16Å; Q261-F264 PolarHBondContact O-N 3.03Å; F264-K266 VanDerWaalsContact C-N 3.34Å; F264-K266 PolarHBondContact O-N 2.9Å; F264-Q267 PolarHBondContact O-N 3.2Å; F264-L268 WeakPolarHBondContact O-CG 3.36Å; F264-L268 PolarHBondContact O-N 2.91Å
265A93.7Very high87.5Confident46 Ų46116.4 Ų116.438%0.3859%0.593SS.*Hα-helixtrans-60.1-45174.700000111.4Q261 L262 Q267 L268 E269Q261-A265 WeakPolarHBondContact O-CB 3.41Å; Q261-A265 PolarHBondContact O-N 2.97Å; L262-A265 PolarHBondContact O-N 2.68Å; A265-Q267 PolarHBondContact O-N 3.44Å; A265-L268 PolarHBondContact O-N 3.34Å; A265-E269 PolarHBondContact O-N 2.86Å
266K92.4Very high87.7Confident143 Ų143119.1 Ų119.162%0.62260%0.599SS**Hα-helixtrans-61.3-41.3176.1-176.1178.9179.6179.80112.3L262 Y263 F264 T270L262-K266 VanDerWaalsContact O-CB 3.25Å; L262-K266 WeakPolarHBondContact O-CB 3.16Å; L262-K266 PolarHBondContact O-N 2.87Å; Y263-K266 PolarHBondContact O-N 3.47Å; F264-K266 VanDerWaalsContact C-N 3.34Å; F264-K266 PolarHBondContact O-N 2.9Å; K266-T270 WeakPolarHBondContact O-CB 3.5Å; K266-T270 PolarHBondContact O-N 2.84Å; K266-T270 PolarHBondContact O-OG1 3.44Å
267Q90Very high87.8Confident107 Ų107120 Ų12050%0.561%0.606SS.*Hα-helixtrans-65.4-37.7175.7-76.4-163.7-1700112.4Y263 F264 A265Y263-Q267 HydrophobicContact CD1-CG 4.39Å; Y263-Q267 VanDerWaalsContact CE1-CD 3.5Å; Y263-Q267 HydrophobicContact CE1-CG 4.05Å; Y263-Q267 WeakPolarHBondContact O-CG 3.3Å; Y263-Q267 PolarHBondContact O-N 3.27Å; Y263-Q267 PolarHBondContact OH-NE2 3.47Å; F264-Q267 PolarHBondContact O-N 3.2Å; A265-Q267 PolarHBondContact O-N 3.44Å
268L90.6Very high87.8Confident155 Ų155123.9 Ų123.981%0.81263%0.626SS**Hα-helixtrans-72-36177.4-71.9171.9000113F264 A265F264-L268 WeakPolarHBondContact O-CG 3.36Å; F264-L268 PolarHBondContact O-N 2.91Å; A265-L268 PolarHBondContact O-N 3.34Å
269E87.1Confident87.6Confident165 Ų165127.7 Ų127.777%0.77164%0.64SS**Hα-helixtrans-76.1-26.4176.8-76.5-173.4161.900113.2A265 I271A265-E269 PolarHBondContact O-N 2.86Å; E269-I271 PolarHBondContact O-N 2.82Å; E269-I271 VanDerWaalsContact O-N 3.08Å
270T86.1Confident87.2Confident80 Ų80126.9 Ų126.949%0.49164%0.639SS.*SBendtrans-71.3105.7176.5-56.40000108.9K266 V272K266-T270 WeakPolarHBondContact O-CB 3.5Å; K266-T270 PolarHBondContact O-N 2.84Å; K266-T270 PolarHBondContact O-OG1 3.44Å; T270-V272 PolarHBondContact O-N 2.98Å; T270-V272 VanDerWaalsContact O-N 3.16Å
271I71.6Confident86.9Confident164 Ų164128.9 Ų128.984%0.84165%0.652SS**  trans-64.3115.7169.8-55.6171.4000107.4E269E269-I271 PolarHBondContact O-N 2.82Å; E269-I271 VanDerWaalsContact O-N 3.08Å
272V59.6Low86.3Confident197 Ų197129.5 Ų129.5100%1.19466%0.66SS**  trans-81.90164.5-179.20000109.2T270T270-V272 PolarHBondContact O-N 2.98Å; T270-V272 VanDerWaalsContact O-N 3.16Å

Retrieved 272 of 272 residues in 153.7 ms (Link to these results)

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