A0A087XA43_POEFO Loading...

Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase

Catalyzes the third of the four reactions of the long-chain fatty acids elongation cycle. This endoplasmic reticulum-bound enzymatic process, allows the addition of two carbons to the chain of long- and very long-chain fatty acids/VLCFAs per cycle. This enzyme catalyzes the dehydration of the 3-hydroxyacyl-CoA intermediate into trans-2,3-enoyl-CoA, within each cycle of fatty acid elongation. Thereby, it participates to the production of VLCFAs of different chain lengths that are involved in multiple biological processes as precursors of membrane lipids and lipid mediators.

AlphaFold DB , UniProt , Accession A0A087XA43, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 209 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
1M52Low84.8Confident245 Ų245105.7 Ų105.7100%1.20751%0.507SS*.  0118.90-133.4163.482.300107
2Y68.1Low85.6Confident188 Ų18898.5 Ų98.574%0.73747%0.471SS*.  trans-65.5136.5176.6-69.9-74000109.5L6Y2-L6 HydrophobicContact CD1-CD1 4.22Å; Y2-L6 HydrophobicContact CD1-CD2 3.67Å; Y2-L6 HydrophobicContact CE1-CD2 4.28Å; Y2-L6 HydrophobicContact CG-CD2 4.3Å
3S86.6Confident86.3Confident76 Ų7691.2 Ų91.253%0.53144%0.436SS..  trans-64.5142174.1175.90000109.7R5 L6 V7S3-R5 PolarHBondContact O-N 2.94Å; S3-R5 VanDerWaalsContact O-N 3.13Å; S3-L6 WeakPolarHBondContact O-CB 3.4Å; S3-L6 PolarHBondContact O-N 3.35Å; S3-V7 PolarHBondContact O-N 3.34Å
4F87.7Confident86.8Confident180 Ų18089.9 Ų89.979%0.78943%0.432SS*.Hα-helixtrans-49.2-40.5176.5177.5-98.4000112L6 V7 Y8F4-L6 VanDerWaalsContact C-N 3.34Å; F4-L6 PolarHBondContact O-N 3.4Å; F4-V7 PolarHBondContact O-N 2.89Å; F4-Y8 WeakPolarHBondContact O-CB 3.43Å; F4-Y8 PolarHBondContact O-N 3.18Å
5R87.6Confident87.4Confident113 Ų11391.1 Ų91.143%0.42644%0.435SS..Hα-helixtrans-59.3-41.2176.1176.1174158-179-6.5112.9S3 Y8 I9 G67 I68S3-R5 PolarHBondContact O-N 2.94Å; S3-R5 VanDerWaalsContact O-N 3.13Å; R5-Y8 PolarHBondContact O-N 3.05Å; R5-I9 HydrophobicContact CG-CD1 3.97Å; R5-I9 VanDerWaalsContact O-CG1 3.27Å; R5-I9 WeakPolarHBondContact O-CG1 3.27Å; R5-I9 PolarHBondContact O-N 3.5Å; R5-G67 PolarHBondContact NH2-O 2.67Å; R5-I68 HydrophobicContact CG-CG2 4.08Å; R5-I68 VanDerWaalsContact CZ-CA 3.41Å; R5-I68 PolarHBondContact NE-O 3.13Å; R5-I68 PolarHBondContact NH2-O 2.7Å
6L88.3Confident87.9Confident57 Ų5785.4 Ų85.430%0.29841%0.408SS..Hα-helixtrans-68.5-44.9-179.9-173152.8000110.6Y2 S3 F4 Y8 I9 F10 V124Y2-L6 HydrophobicContact CD1-CD1 4.22Å; Y2-L6 HydrophobicContact CD1-CD2 3.67Å; Y2-L6 HydrophobicContact CE1-CD2 4.28Å; Y2-L6 HydrophobicContact CG-CD2 4.3Å; S3-L6 WeakPolarHBondContact O-CB 3.4Å; S3-L6 PolarHBondContact O-N 3.35Å; F4-L6 VanDerWaalsContact C-N 3.34Å; F4-L6 PolarHBondContact O-N 3.4Å; L6-Y8 VanDerWaalsContact C-N 3.3Å; L6-Y8 PolarHBondContact O-N 3.45Å; L6-I9 PolarHBondContact O-N 3.43Å; L6-F10 WeakPolarHBondContact O-CB 3.41Å; L6-F10 PolarHBondContact O-N 2.92Å; L6-V124 HydrophobicContact CD2-CG1 4.29Å; L6-V124 HydrophobicContact CG-CG1 3.99Å
7V91.5Very high88.3Confident71 Ų7183.9 Ų83.943%0.4340%0.399SS..Hα-helixtrans-60.7-42.2177178.90000110.8S3 F4 S11S3-V7 PolarHBondContact O-N 3.34Å; F4-V7 PolarHBondContact O-N 2.89Å; V7-S11 VanDerWaalsContact O-CB 3.27Å; V7-S11 WeakPolarHBondContact O-CB 3.19Å; V7-S11 PolarHBondContact O-N 2.69Å; V7-S11 PolarHBondContact O-OG 2.88Å
8Y92.9Very high88.7Confident88 Ų8883 Ų8335%0.34540%0.403SS..Hα-helixtrans-60.3-56176.5169.8-101.4000112.5F4 R5 L6 F10 S11 Y12 H63F4-Y8 WeakPolarHBondContact O-CB 3.43Å; F4-Y8 PolarHBondContact O-N 3.18Å; R5-Y8 PolarHBondContact O-N 3.05Å; L6-Y8 VanDerWaalsContact C-N 3.3Å; L6-Y8 PolarHBondContact O-N 3.45Å; Y8-F10 VanDerWaalsContact C-N 3.31Å; Y8-F10 PolarHBondContact O-N 2.88Å; Y8-S11 PolarHBondContact O-N 3.25Å; Y8-Y12 WeakPolarHBondContact O-CB 3.34Å; Y8-Y12 PolarHBondContact O-N 3.38Å; Y8-H63 AromaticContact CE1-CD2 3.89Å; Y8-H63 AromaticContact CE1-NE2 3.34Å; Y8-H63 VanDerWaalsContact CE1-NE2 3.34Å; Y8-H63 WeakPolarHBondContact CE1-NE2 3.33Å; Y8-H63 AromaticContact CZ-NE2 3.5Å; Y8-H63 PolarHBondContact OH-NE2 3.22Å
9I92Very high89Confident17 Ų1779.2 Ų79.29%0.08739%0.387CS..Hα-helixtrans-62.1-41.7-178.7-61.6166.4000110.5R5 L6 Y12 N13 I68 V124R5-I9 HydrophobicContact CG-CD1 3.97Å; R5-I9 VanDerWaalsContact O-CG1 3.27Å; R5-I9 WeakPolarHBondContact O-CG1 3.27Å; R5-I9 PolarHBondContact O-N 3.5Å; L6-I9 PolarHBondContact O-N 3.43Å; I9-Y12 PolarHBondContact O-N 3.2Å; I9-N13 WeakPolarHBondContact CG2-ND2 3.27Å; I9-N13 WeakPolarHBondContact O-CB 3.22Å; I9-N13 PolarHBondContact O-N 3.27Å; I9-N13 PolarHBondContact O-ND2 2.91Å; I9-I68 HydrophobicContact CD1-CG2 3.27Å; I9-I68 HydrophobicContact CG1-CG2 3.51Å; I9-V124 HydrophobicContact CG2-CG2 3.65Å
10F92.7Very high89.3Confident65 Ų6575.3 Ų75.329%0.28537%0.368SS..Hα-helixtrans-61-48.5177.8-178.6-90.6000111.2L6 Y8 Y12 N13 L14 L121 V124 M125L6-F10 WeakPolarHBondContact O-CB 3.41Å; L6-F10 PolarHBondContact O-N 2.92Å; Y8-F10 VanDerWaalsContact C-N 3.31Å; Y8-F10 PolarHBondContact O-N 2.88Å; F10-Y12 VanDerWaalsContact C-N 3.35Å; F10-Y12 PolarHBondContact O-N 2.88Å; F10-N13 PolarHBondContact O-N 3.08Å; F10-L14 HydrophobicContact CE1-CD2 4.12Å; F10-L14 VanDerWaalsContact O-CB 3.29Å; F10-L14 WeakPolarHBondContact O-CB 3.29Å; F10-L14 PolarHBondContact O-N 3.45Å; F10-L121 HydrophobicContact CD2-CD2 3.72Å; F10-L121 HydrophobicContact CE2-CD2 3.74Å; F10-L121 HydrophobicContact CG-CD2 4.27Å; F10-L121 HydrophobicContact CZ-CD2 4.3Å; F10-V124 HydrophobicContact CB-CG1 4.11Å; F10-V124 HydrophobicContact CD2-CG1 4.4Å; F10-M125 HydrophobicContact CD2-CG 4.31Å; F10-M125 HydrophobicContact CE2-CG 4.01Å; F10-M125 HydrophobicContact CE2-SD 3.92Å
11S93.7Very high89.5Confident63 Ų6374.1 Ų74.144%0.44137%0.365SS..Hα-helixtrans-64-40.3179.6-55.70000111.7V7 Y8 L14 F15V7-S11 VanDerWaalsContact O-CB 3.27Å; V7-S11 WeakPolarHBondContact O-CB 3.19Å; V7-S11 PolarHBondContact O-N 2.69Å; V7-S11 PolarHBondContact O-OG 2.88Å; Y8-S11 PolarHBondContact O-N 3.25Å; S11-L14 PolarHBondContact O-N 2.87Å; S11-F15 WeakPolarHBondContact O-CB 3.35Å; S11-F15 PolarHBondContact O-N 3.35Å
12Y94.8Very high91.5Very high19 Ų1968 Ų688%0.07533%0.329CS..Hα-helixtrans-59.7-52.7174.9170.5-93.4000111.7Y8 I9 F10 L14 F15 Q16 L56 S57 L59 E60 H63 Y117Y8-Y12 WeakPolarHBondContact O-CB 3.34Å; Y8-Y12 PolarHBondContact O-N 3.38Å; I9-Y12 PolarHBondContact O-N 3.2Å; F10-Y12 VanDerWaalsContact C-N 3.35Å; F10-Y12 PolarHBondContact O-N 2.88Å; Y12-L14 VanDerWaalsContact C-N 3.28Å; Y12-L14 PolarHBondContact O-N 3.21Å; Y12-F15 PolarHBondContact O-N 2.8Å; Y12-Q16 HydrophobicContact CE1-CG 3.99Å; Y12-Q16 HydrophobicContact CE2-CG 4.02Å; Y12-Q16 WeakPolarHBondContact O-CG 3.34Å; Y12-Q16 PolarHBondContact O-N 3.36Å; Y12-Q16 PolarHBondContact OH-NE2 2.86Å; Y12-L56 HydrophobicContact CE2-CB 4.41Å; Y12-L56 PolarHBondContact OH-O 3.34Å; Y12-S57 WeakPolarHBondContact OH-CA 3.27Å; Y12-L59 HydrophobicContact CE2-CB 4.29Å; Y12-L59 HydrophobicContact CE2-CD1 4.26Å; Y12-E60 HydrophobicContact CE1-CG 3.98Å; Y12-E60 WeakPolarHBondContact OH-CG 3.44Å; Y12-E60 PolarHBondContact OH-OE1 3.25Å; Y12-H63 AromaticContact CD1-CE1 3.8Å; Y12-H63 AromaticContact CE1-CE1 3.95Å; Y12-H63 AromaticContact CG-CE1 3.88Å; Y12-Y117 HydrophobicContact CE1-CE1 4.44Å
13N93.9Very high92.6Very high4 Ų459 Ų592%0.02129%0.294CS..Hα-helixtrans-64.6-34.9-179.8-78.3-76.6000111.9I9 F10 F17 Y117 E120 L121I9-N13 WeakPolarHBondContact CG2-ND2 3.27Å; I9-N13 WeakPolarHBondContact O-CB 3.22Å; I9-N13 PolarHBondContact O-N 3.27Å; I9-N13 PolarHBondContact O-ND2 2.91Å; F10-N13 PolarHBondContact O-N 3.08Å; N13-F17 VanDerWaalsContact O-CB 3.25Å; N13-F17 WeakPolarHBondContact O-CB 3.49Å; N13-F17 PolarHBondContact O-N 3.4Å; N13-Y117 HydrophobicContact CB-CD1 4.46Å; N13-Y117 WeakPolarHBondContact OD1-CD1 3.42Å; N13-E120 WeakPolarHBondContact OD1-CB 3.29Å; N13-L121 HydrophobicContact CB-CD2 3.69Å; N13-L121 HydrophobicContact CB-CG 3.88Å
14L94.1Very high92.9Very high72 Ų7256.3 Ų56.338%0.37727%0.273SS..Hα-helixtrans-67.1-45.2176-177.863.5000111.1F10 S11 Y12 F17 C18 L121F10-L14 HydrophobicContact CE1-CD2 4.12Å; F10-L14 VanDerWaalsContact O-CB 3.29Å; F10-L14 WeakPolarHBondContact O-CB 3.29Å; F10-L14 PolarHBondContact O-N 3.45Å; S11-L14 PolarHBondContact O-N 2.87Å; Y12-L14 VanDerWaalsContact C-N 3.28Å; Y12-L14 PolarHBondContact O-N 3.21Å; L14-F17 PolarHBondContact O-N 2.92Å; L14-C18 WeakPolarHBondContact O-CB 3.32Å; L14-C18 PolarHBondContact O-N 3.23Å; L14-C18 PolarHBondContact O-SG 2.9Å; L14-L121 HydrophobicContact CB-CD2 4.21Å; L14-L121 HydrophobicContact CD1-CD1 4.43Å
15F95.4Very high93Very high109 Ų10950.2 Ų50.248%0.47826%0.256SS..Hα-helixtrans-59.6-48.5177-179.1-93.5000111.4S11 Y12 F17 C18 G19 L56S11-F15 WeakPolarHBondContact O-CB 3.35Å; S11-F15 PolarHBondContact O-N 3.35Å; Y12-F15 PolarHBondContact O-N 2.8Å; F15-F17 PolarHBondContact O-N 3.25Å; F15-C18 PolarHBondContact O-N 3.37Å; F15-G19 PolarHBondContact O-N 3.38Å; F15-L56 HydrophobicContact CD1-CD1 3.96Å; F15-L56 HydrophobicContact CE1-CD1 3.45Å; F15-L56 VanDerWaalsContact CE1-CD1 3.45Å; F15-L56 HydrophobicContact CZ-CD1 4.46Å
16Q95.6Very high93.2Very high0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-60.4-44.6176.1-75.6-73.71400112.1Y12 C18 G19 H20 C53 S57 Y117Y12-Q16 HydrophobicContact CE1-CG 3.99Å; Y12-Q16 HydrophobicContact CE2-CG 4.02Å; Y12-Q16 WeakPolarHBondContact O-CG 3.34Å; Y12-Q16 PolarHBondContact O-N 3.36Å; Y12-Q16 PolarHBondContact OH-NE2 2.86Å; Q16-C18 VanDerWaalsContact C-N 3.35Å; Q16-C18 PolarHBondContact O-N 3.42Å; Q16-G19 PolarHBondContact O-N 2.96Å; Q16-H20 PolarHBondContact O-CD2 3.47Å; Q16-H20 PolarHBondContact O-N 2.98Å; Q16-C53 PolarHBondContact NE2-O 3.32Å; Q16-S57 PolarHBondContact NE2-OG 3.22Å; Q16-Y117 HydrophobicContact CB-CD1 3.77Å; Q16-Y117 HydrophobicContact CB-CD2 3.99Å; Q16-Y117 HydrophobicContact CB-CE1 3.39Å; Q16-Y117 HydrophobicContact CB-CE2 3.64Å; Q16-Y117 HydrophobicContact CB-CG 4.04Å; Q16-Y117 HydrophobicContact CG-CE1 3.72Å; Q16-Y117 HydrophobicContact CG-CE2 4.38Å; Q16-Y117 WeakPolarHBondContact CG-OH 3.48Å; Q16-Y117 PolarHBondContact NE2-OH 3.31Å; Q16-Y117 PolarHBondContact OE1-OH 3.49Å
17F94.6Very high93.1Very high59 Ų5945 Ų4526%0.25924%0.237SC..Hα-helixtrans-57.7-46.7175.3174.5-107.7000112N13 L14 F15 T21 L114 P118 L121N13-F17 VanDerWaalsContact O-CB 3.25Å; N13-F17 WeakPolarHBondContact O-CB 3.49Å; N13-F17 PolarHBondContact O-N 3.4Å; L14-F17 PolarHBondContact O-N 2.92Å; F15-F17 PolarHBondContact O-N 3.25Å; F17-T21 VanDerWaalsContact O-CB 3.29Å; F17-T21 WeakPolarHBondContact O-CB 3.29Å; F17-T21 PolarHBondContact O-N 2.88Å; F17-T21 PolarHBondContact O-OG1 3.03Å; F17-L114 HydrophobicContact CD2-CD1 3.88Å; F17-L114 HydrophobicContact CE2-CD1 3.37Å; F17-L114 HydrophobicContact CE2-CG 4.31Å; F17-L114 HydrophobicContact CZ-CD1 4.19Å; F17-P118 HydrophobicContact CD2-CG 3.59Å; F17-P118 HydrophobicContact CE2-CG 3.41Å; F17-P118 VanDerWaalsContact CE2-CG 3.41Å; F17-P118 HydrophobicContact CZ-CG 4.35Å; F17-L121 HydrophobicContact CB-CD1 4.33Å
18C95.1Very high92.9Very high68 Ų6844.7 Ų44.746%0.45923%0.233SC..Hα-helixtrans-62.6-43.5177.2-71.10000111.9L14 F15 Q16 T21 W22L14-C18 WeakPolarHBondContact O-CB 3.32Å; L14-C18 PolarHBondContact O-N 3.23Å; L14-C18 PolarHBondContact O-SG 2.9Å; F15-C18 PolarHBondContact O-N 3.37Å; Q16-C18 VanDerWaalsContact C-N 3.35Å; Q16-C18 PolarHBondContact O-N 3.42Å; C18-T21 PolarHBondContact O-N 2.82Å; C18-W22 WeakPolarHBondContact O-CB 3.23Å; C18-W22 PolarHBondContact O-N 3.42Å
19G94.8Very high92.6Very high11 Ų1143 Ų4311%0.11324%0.237CC..Hα-helixtrans-58.5-53.8177.500000112.1F15 Q16 T21 W22 I23F15-G19 PolarHBondContact O-N 3.38Å; Q16-G19 PolarHBondContact O-N 2.96Å; G19-T21 VanDerWaalsContact C-N 3.34Å; G19-T21 PolarHBondContact O-N 3.37Å; G19-W22 PolarHBondContact O-N 2.9Å; G19-I23 VanDerWaalsContact O-CG1 3.3Å; G19-I23 WeakPolarHBondContact O-CG1 3.29Å; G19-I23 PolarHBondContact O-N 3.26Å
20H94.4Very high92.2Very high0 Ų043.9 Ų43.90%024%0.239CC..Hα-helixtrans-65-35.9178.7-74.6-70.7000113.2Q16 I23 L24 N110 D113 Y117Q16-H20 PolarHBondContact O-CD2 3.47Å; Q16-H20 PolarHBondContact O-N 2.98Å; H20-I23 PolarHBondContact O-N 3.5Å; H20-L24 WeakPolarHBondContact O-CB 3.46Å; H20-L24 PolarHBondContact O-N 3.03Å; H20-N110 WeakPolarHBondContact CA-OD1 3.45Å; H20-N110 PolarHBondContact ND1-OD1 3.44Å; H20-N110 PolarHBondContact O-OD1 2.88Å; H20-D113 HydrophobicContact CB-CB 4.34Å; H20-D113 IonicContact CE1-OD2 2.68Å; H20-D113 PolarHBondContact CE1-OD2 3.46Å; H20-D113 VanDerWaalsContact CE1-OD2 3.23Å; H20-D113 IonicContact ND1-OD2 3.61Å; H20-D113 IonicContact NE2-OD2 3.23Å; H20-Y117 AromaticContact CD2-CD2 3.92Å; H20-Y117 AromaticContact CD2-CE2 3.35Å; H20-Y117 WeakPolarHBondContact CD2-CE2 3.33Å; H20-Y117 AromaticContact NE2-CE2 3.64Å
21T93.9Very high91.8Very high51 Ų5146.2 Ų46.231%0.31325%0.249SC..Hα-helixtrans-63.7-44.2173.9-580000111.1F17 C18 G19 L24 A25 L114F17-T21 VanDerWaalsContact O-CB 3.29Å; F17-T21 WeakPolarHBondContact O-CB 3.29Å; F17-T21 PolarHBondContact O-N 2.88Å; F17-T21 PolarHBondContact O-OG1 3.03Å; C18-T21 PolarHBondContact O-N 2.82Å; G19-T21 VanDerWaalsContact C-N 3.34Å; G19-T21 PolarHBondContact O-N 3.37Å; T21-L24 PolarHBondContact O-N 3.1Å; T21-A25 VanDerWaalsContact O-CB 3.3Å; T21-A25 WeakPolarHBondContact O-CB 3.49Å; T21-A25 PolarHBondContact O-N 3.24Å; T21-L114 WeakPolarHBondContact OG1-CD1 3.44Å
22W94Very high91.3Very high116 Ų11651.3 Ų51.344%0.43926%0.264SS..Hα-helixtrans-62.8-44.8177.9179.390.1000111.5C18 G19 L24 A25 N26 V46 V49C18-W22 WeakPolarHBondContact O-CB 3.23Å; C18-W22 PolarHBondContact O-N 3.42Å; G19-W22 PolarHBondContact O-N 2.9Å; W22-L24 PolarHBondContact O-N 3.32Å; W22-A25 PolarHBondContact O-N 2.97Å; W22-N26 PolarHBondContact NE1-ND2 3.29Å; W22-N26 WeakPolarHBondContact O-CB 3.33Å; W22-N26 PolarHBondContact O-N 3.02Å; W22-N26 PolarHBondContact O-ND2 2.9Å; W22-V46 HydrophobicContact CZ3-CG1 4.36Å; W22-V49 HydrophobicContact CE3-CB 4.1Å; W22-V49 HydrophobicContact CE3-CG1 3.88Å; W22-V49 HydrophobicContact CE3-CG2 4.07Å; W22-V49 HydrophobicContact CH2-CG2 3.88Å; W22-V49 HydrophobicContact CZ3-CB 3.7Å; W22-V49 HydrophobicContact CZ3-CG1 4.01Å; W22-V49 HydrophobicContact CZ3-CG2 3.43Å; W22-V49 VanDerWaalsContact CZ3-CG2 3.43Å
23I92.3Very high90.7Very high0 Ų055.1 Ų55.10%029%0.289CS..Hα-helixtrans-59.5-48.3176.7-65.1163000110.2G19 H20 N26 N27 V46 V49 M50 N110G19-I23 VanDerWaalsContact O-CG1 3.3Å; G19-I23 WeakPolarHBondContact O-CG1 3.29Å; G19-I23 PolarHBondContact O-N 3.26Å; H20-I23 PolarHBondContact O-N 3.5Å; I23-N26 PolarHBondContact O-N 3.33Å; I23-N27 WeakPolarHBondContact O-CB 3.18Å; I23-N27 PolarHBondContact O-N 3.14Å; I23-V46 HydrophobicContact CG2-CB 3.92Å; I23-V46 HydrophobicContact CG2-CG1 4.32Å; I23-V46 HydrophobicContact CG2-CG2 3.95Å; I23-V49 HydrophobicContact CD1-CB 4.43Å; I23-V49 HydrophobicContact CD1-CG1 4.07Å; I23-V49 HydrophobicContact CG1-CB 4.25Å; I23-V49 HydrophobicContact CG1-CG1 3.98Å; I23-M50 HydrophobicContact CD1-CB 4.03Å; I23-M50 HydrophobicContact CD1-SD 3.79Å; I23-N110 WeakPolarHBondContact CB-OD1 3.46Å; I23-N110 WeakPolarHBondContact CD1-OD1 3.28Å; I23-N110 VanDerWaalsContact CG2-ND2 3.27Å; I23-N110 WeakPolarHBondContact CG2-ND2 3.24Å
24L91.3Very high90Very high19 Ų1960.3 Ų60.310%0.09931%0.311CS..Hα-helixtrans-64.1-44.3-178.9-167.269.2000111.9H20 T21 W22 N26 N27 I28 F107 N110 I111 L114H20-L24 WeakPolarHBondContact O-CB 3.46Å; H20-L24 PolarHBondContact O-N 3.03Å; T21-L24 PolarHBondContact O-N 3.1Å; W22-L24 PolarHBondContact O-N 3.32Å; L24-N26 PolarHBondContact O-N 2.99Å; L24-N27 PolarHBondContact O-N 3.3Å; L24-I28 HydrophobicContact CG-CD1 3.98Å; L24-I28 WeakPolarHBondContact O-CB 3.33Å; L24-I28 VanDerWaalsContact O-CG1 3.26Å; L24-I28 WeakPolarHBondContact O-CG1 3.28Å; L24-I28 PolarHBondContact O-N 3.08Å; L24-F107 HydrophobicContact CD1-CD2 3.5Å; L24-F107 HydrophobicContact CD1-CE2 3.34Å; L24-F107 HydrophobicContact CD1-CG 4.27Å; L24-F107 HydrophobicContact CD1-CZ 4.01Å; L24-F107 HydrophobicContact CG-CE2 4.4Å; L24-N110 HydrophobicContact CB-CB 4.4Å; L24-N110 HydrophobicContact CD1-CB 4.22Å; L24-I111 HydrophobicContact CD1-CG1 4.05Å; L24-I111 HydrophobicContact CD2-CG1 4.27Å; L24-L114 HydrophobicContact CD2-CD2 3.77Å
25A91.1Very high89.2Confident53 Ų5358.3 Ų58.344%0.43831%0.308SS..Hα-helixtrans-61.9-42.6177.800000111.9T21 W22 I28 A29T21-A25 VanDerWaalsContact O-CB 3.3Å; T21-A25 WeakPolarHBondContact O-CB 3.49Å; T21-A25 PolarHBondContact O-N 3.24Å; W22-A25 PolarHBondContact O-N 2.97Å; A25-I28 PolarHBondContact O-N 3.16Å; A25-A29 WeakPolarHBondContact O-CB 3.38Å; A25-A29 PolarHBondContact O-N 3.16Å
26N90Very high88Confident51 Ų5160.9 Ų60.927%0.27332%0.322SS..Hα-helixtrans-63.7-45.4175.5-84.3-90.9000111.5W22 I23 L24 I28 A29 R30 V46W22-N26 PolarHBondContact NE1-ND2 3.29Å; W22-N26 WeakPolarHBondContact O-CB 3.33Å; W22-N26 PolarHBondContact O-N 3.02Å; W22-N26 PolarHBondContact O-ND2 2.9Å; I23-N26 PolarHBondContact O-N 3.33Å; L24-N26 PolarHBondContact O-N 2.99Å; N26-I28 VanDerWaalsContact C-N 3.34Å; N26-I28 PolarHBondContact O-N 3.16Å; N26-A29 PolarHBondContact O-N 3.18Å; N26-R30 WeakPolarHBondContact O-CB 3.39Å; N26-R30 VanDerWaalsContact O-CG 3.23Å; N26-R30 WeakPolarHBondContact O-CG 3.28Å; N26-R30 PolarHBondContact O-N 3.08Å; N26-V46 HydrophobicContact CB-CG1 4.02Å
27N86.4Confident86.7Confident8 Ų867 Ų674%0.04336%0.355CS..Hα-helixtrans-60.3-43.9177.5-74.7-12.8000111.8I23 L24 F31 T42 V46I23-N27 WeakPolarHBondContact O-CB 3.18Å; I23-N27 PolarHBondContact O-N 3.14Å; L24-N27 PolarHBondContact O-N 3.3Å; N27-F31 VanDerWaalsContact O-CB 3.32Å; N27-F31 WeakPolarHBondContact O-CB 3.47Å; N27-F31 PolarHBondContact O-N 3.3Å; N27-T42 WeakPolarHBondContact OD1-CG2 3.26Å; N27-V46 WeakPolarHBondContact OD1-CG1 3.42Å
28I87.9Confident85.4Confident66 Ų6664.3 Ų64.334%0.33834%0.343SS..Hα-helixtrans-63.9-49.2177.6-69.4169.7000110.9L24 A25 N26 R30 F31 F32 F107L24-I28 HydrophobicContact CG-CD1 3.98Å; L24-I28 WeakPolarHBondContact O-CB 3.33Å; L24-I28 VanDerWaalsContact O-CG1 3.26Å; L24-I28 WeakPolarHBondContact O-CG1 3.28Å; L24-I28 PolarHBondContact O-N 3.08Å; A25-I28 PolarHBondContact O-N 3.16Å; N26-I28 VanDerWaalsContact C-N 3.34Å; N26-I28 PolarHBondContact O-N 3.16Å; I28-R30 VanDerWaalsContact C-N 3.31Å; I28-R30 PolarHBondContact O-N 3.37Å; I28-F31 PolarHBondContact O-N 2.89Å; I28-F32 HydrophobicContact CG2-CD2 3.63Å; I28-F32 HydrophobicContact CG2-CE2 3.5Å; I28-F32 VanDerWaalsContact CG2-CE2 3.5Å; I28-F32 WeakPolarHBondContact O-CD2 3.4Å; I28-F32 PolarHBondContact O-N 3.43Å; I28-F107 HydrophobicContact CD1-CE2 4.46Å; I28-F107 HydrophobicContact CG1-CE2 3.99Å
29A87.2Confident84.1Confident52 Ų5262.9 Ų62.943%0.4333%0.331SS..Hα-helixtrans-59-43.4-179.800000111.8A25 N26 F32 T33A25-A29 WeakPolarHBondContact O-CB 3.38Å; A25-A29 PolarHBondContact O-N 3.16Å; N26-A29 PolarHBondContact O-N 3.18Å; A29-F32 PolarHBondContact O-N 3.26Å; A29-T33 WeakPolarHBondContact O-CB 3.25Å; A29-T33 PolarHBondContact O-N 2.97Å; A29-T33 PolarHBondContact O-OG1 3.49Å
30R83.3Confident82.8Confident35 Ų3564.3 Ų64.313%0.13234%0.341CS..Hα-helixtrans-69-39.9178.4-67.6-179.380.5-166.416.5112.4N26 I28 F32 T33 F34 A38 D41 S45N26-R30 WeakPolarHBondContact O-CB 3.39Å; N26-R30 VanDerWaalsContact O-CG 3.23Å; N26-R30 WeakPolarHBondContact O-CG 3.28Å; N26-R30 PolarHBondContact O-N 3.08Å; I28-R30 VanDerWaalsContact C-N 3.31Å; I28-R30 PolarHBondContact O-N 3.37Å; R30-F32 VanDerWaalsContact C-N 3.28Å; R30-F32 PolarHBondContact O-N 3.3Å; R30-T33 PolarHBondContact O-N 3.36Å; R30-T33 VanDerWaalsContact O-N 3.08Å; R30-F34 HydrophobicContact CB-CD2 4.31Å; R30-F34 PolarHBondContact O-N 3.09Å; R30-A38 HydrophobicContact CB-CB 4.23Å; R30-A38 WeakPolarHBondContact O-CB 3.49Å; R30-D41 VanDerWaalsContact NH1-C 3.29Å; R30-D41 PolarHBondContact NH1-O 3.39Å; R30-D41 PolarHBondContact NH2-O 3.12Å; R30-D41 IonicContact NH2-OD2 3.32Å; R30-S45 PolarHBondContact NH1-OG 3.27Å; R30-S45 PolarHBondContact NH2-OG 3.03Å
31F83.7Confident81.8Confident115 Ų11568.2 Ų68.250%0.50436%0.362SS..Hα-helixtrans-58-42173.3-175.6-98.6000111.6N27 I28 G35N27-F31 VanDerWaalsContact O-CB 3.32Å; N27-F31 WeakPolarHBondContact O-CB 3.47Å; N27-F31 PolarHBondContact O-N 3.3Å; I28-F31 PolarHBondContact O-N 2.89Å; F31-G35 VanDerWaalsContact O-CA 3.25Å; F31-G35 WeakPolarHBondContact O-CA 3.35Å; F31-G35 PolarHBondContact O-N 3.17Å
32F84.3Confident81Confident169 Ų16966 Ų6674%0.74135%0.348SS*.Hα-helixtrans-70.8-27.1174.9-77.7-64.5000114.1I28 A29 R30I28-F32 HydrophobicContact CG2-CD2 3.63Å; I28-F32 HydrophobicContact CG2-CE2 3.5Å; I28-F32 VanDerWaalsContact CG2-CE2 3.5Å; I28-F32 WeakPolarHBondContact O-CD2 3.4Å; I28-F32 PolarHBondContact O-N 3.43Å; A29-F32 PolarHBondContact O-N 3.26Å; R30-F32 VanDerWaalsContact C-N 3.28Å; R30-F32 PolarHBondContact O-N 3.3Å
33T82Confident80.1Confident99 Ų9961.5 Ų61.561%0.60733%0.332SS*.Hα-helixtrans-86.9-42.4-176.7-53.20000112.6A29 R30A29-T33 WeakPolarHBondContact O-CB 3.25Å; A29-T33 PolarHBondContact O-N 2.97Å; A29-T33 PolarHBondContact O-OG1 3.49Å; R30-T33 PolarHBondContact O-N 3.36Å; R30-T33 VanDerWaalsContact O-N 3.08Å
34F78.1Confident79.5Confident113 Ų11369 Ų6950%0.49636%0.361SS..Hα-helixtrans-116.2-3.2-171.2-55.6-79.5000113.3R30 Q36 D37 A38R30-F34 HydrophobicContact CB-CD2 4.31Å; R30-F34 PolarHBondContact O-N 3.09Å; F34-Q36 PolarHBondContact O-N 2.96Å; F34-D37 PolarHBondContact O-N 3.32Å; F34-A38 HydrophobicContact CB-CB 4Å
35G77.9Confident78.9Confident30 Ų3070.8 Ų70.831%0.30938%0.376SS..G310 helixtrans61.6-127.2177.900000112.6F31 D37 A38F31-G35 VanDerWaalsContact O-CA 3.25Å; F31-G35 WeakPolarHBondContact O-CA 3.35Å; F31-G35 PolarHBondContact O-N 3.17Å; G35-D37 VanDerWaalsContact C-N 3.32Å; G35-A38 VanDerWaalsContact O-CB 3.24Å; G35-A38 WeakPolarHBondContact O-CB 3.47Å; G35-A38 PolarHBondContact O-N 2.85Å
36Q69.4Low78.7Confident164 Ų16468.3 Ų68.377%0.76636%0.355SS*.G310 helixtrans-70.1-27.1179-72.7-168.4-33.400113.1F34 A38 L39F34-Q36 PolarHBondContact O-N 2.96Å; Q36-A38 PolarHBondContact O-N 3.44Å; Q36-L39 WeakPolarHBondContact O-CB 3.3Å; Q36-L39 VanDerWaalsContact O-CG 3.32Å; Q36-L39 WeakPolarHBondContact O-CG 3.46Å; Q36-L39 PolarHBondContact O-N 3.34Å; Q36-L39 VanDerWaalsContact O-N 3.12Å
37D70.1Confident78.5Confident128 Ų12866 Ų6668%0.68434%0.344SS*.G310 helixtrans-69-20.7178.3-60.2-31.2000111.5F34 G35 L39 A40F34-D37 PolarHBondContact O-N 3.32Å; G35-D37 VanDerWaalsContact C-N 3.32Å; D37-L39 PolarHBondContact O-N 3.47Å; D37-A40 PolarHBondContact O-N 2.91Å
38A66.6Low78.7Confident2 Ų273.4 Ų73.42%0.01738%0.376CS..Hα-helixtrans-60.2-27.3172.700000112.9R30 F34 G35 Q36 T42R30-A38 HydrophobicContact CB-CB 4.23Å; R30-A38 WeakPolarHBondContact O-CB 3.49Å; F34-A38 HydrophobicContact CB-CB 4Å; G35-A38 VanDerWaalsContact O-CB 3.24Å; G35-A38 WeakPolarHBondContact O-CB 3.47Å; G35-A38 PolarHBondContact O-N 2.85Å; Q36-A38 PolarHBondContact O-N 3.44Å; A38-T42 PolarHBondContact O-N 3.24Å; A38-T42 VanDerWaalsContact O-N 3.1Å; A38-T42 PolarHBondContact O-OG1 3.02Å
39L68.1Low78.8Confident39 Ų3971.9 Ų71.920%0.20437%0.37CS..Hα-helixtrans-68-39.9-173.7-60.3174.4000111.6Q36 D37 P100 C103Q36-L39 WeakPolarHBondContact O-CB 3.3Å; Q36-L39 VanDerWaalsContact O-CG 3.32Å; Q36-L39 WeakPolarHBondContact O-CG 3.46Å; Q36-L39 PolarHBondContact O-N 3.34Å; Q36-L39 VanDerWaalsContact O-N 3.12Å; D37-L39 PolarHBondContact O-N 3.47Å; L39-P100 HydrophobicContact CD1-CB 4.15Å; L39-C103 HydrophobicContact CD2-CB 3.97Å; L39-C103 WeakPolarHBondContact CD2-SG 3.28Å
40A66.2Low79Confident40 Ų4069.4 Ų69.433%0.33135%0.349SS..Hα-helixtrans-68.2-38.8-179.700000111.9D37D37-A40 PolarHBondContact O-N 2.91Å
41D75.1Confident79.4Confident82 Ų8269 Ų6944%0.43935%0.352SS..Hα-helixtrans-89.4-5.2-177.2-65.1-18.6000113.7R30 F43 Y44 S45R30-D41 VanDerWaalsContact NH1-C 3.29Å; R30-D41 PolarHBondContact NH1-O 3.39Å; R30-D41 PolarHBondContact NH2-O 3.12Å; R30-D41 IonicContact NH2-OD2 3.32Å; D41-F43 PolarHBondContact O-N 2.9Å; D41-Y44 PolarHBondContact O-N 3.46Å; D41-S45 PolarHBondContact O-N 2.98Å; D41-S45 PolarHBondContact O-OG 2.95Å
42T75.4Confident79.9Confident4 Ų466.9 Ų66.93%0.02535%0.345CS..Hα-helixtrans-57.4-51.1-176.2-73.70000110.7N27 A38 Y44 S45 V46N27-T42 WeakPolarHBondContact OD1-CG2 3.26Å; A38-T42 PolarHBondContact O-N 3.24Å; A38-T42 VanDerWaalsContact O-N 3.1Å; A38-T42 PolarHBondContact O-OG1 3.02Å; T42-Y44 VanDerWaalsContact C-N 3.31Å; T42-Y44 PolarHBondContact O-N 3.34Å; T42-S45 PolarHBondContact O-N 3.41Å; T42-V46 HydrophobicContact CG2-CG2 3.94Å; T42-V46 WeakPolarHBondContact O-CG2 3.4Å; T42-V46 PolarHBondContact O-N 2.97Å
43F75.9Confident80.4Confident23 Ų2358.9 Ų58.910%0.10131%0.31CS..Hα-helixtrans-58.7-41.9-179.4-173.8-92.6000112.3D41 S45 G47 V90 I91 Q97 V102 F106D41-F43 PolarHBondContact O-N 2.9Å; F43-S45 VanDerWaalsContact C-N 3.33Å; F43-S45 PolarHBondContact O-N 2.95Å; F43-G47 WeakPolarHBondContact O-CA 3.42Å; F43-G47 PolarHBondContact O-N 3.25Å; F43-V90 HydrophobicContact CD2-CG1 3.93Å; F43-V90 HydrophobicContact CE2-CG1 3.51Å; F43-V90 HydrophobicContact CZ-CG1 4.15Å; F43-I91 HydrophobicContact CZ-CG1 3.84Å; F43-Q97 HydrophobicContact CB-CB 4.18Å; F43-Q97 HydrophobicContact CD1-CB 3.8Å; F43-Q97 VanDerWaalsContact CD1-CD 3.43Å; F43-Q97 HydrophobicContact CD1-CG 3.68Å; F43-Q97 HydrophobicContact CD2-CG 4.35Å; F43-Q97 HydrophobicContact CE1-CB 4.32Å; F43-Q97 HydrophobicContact CE1-CG 3.66Å; F43-Q97 HydrophobicContact CE2-CG 4.33Å; F43-Q97 HydrophobicContact CG-CB 3.91Å; F43-Q97 HydrophobicContact CG-CG 4.02Å; F43-Q97 HydrophobicContact CZ-CG 3.99Å; F43-V102 HydrophobicContact CD2-CG1 4.39Å; F43-F106 AromaticContact CD2-CE2 3.74Å; F43-F106 HydrophobicContact CD2-CE2 3.74Å; F43-F106 AromaticContact CD2-CZ 3.68Å; F43-F106 HydrophobicContact CD2-CZ 3.68Å; F43-F106 HydrophobicContact CE2-CE2 4.06Å; F43-F106 AromaticContact CE2-CZ 3.68Å; F43-F106 HydrophobicContact CE2-CZ 3.68Å
44Y79.5Confident80.9Confident156 Ų15654.3 Ų54.361%0.61228%0.282SS*.Hα-helixtrans-62.2-36.4179.5-78.4-79.5000113.7D41 T42D41-Y44 PolarHBondContact O-N 3.46Å; T42-Y44 VanDerWaalsContact C-N 3.31Å; T42-Y44 PolarHBondContact O-N 3.34Å
45S79.1Confident81.6Confident58 Ų5853.9 Ų53.941%0.40629%0.285SS..Hα-helixtrans-91.7-32-175.7-49.60000114.4R30 D41 T42 F43R30-S45 PolarHBondContact NH1-OG 3.27Å; R30-S45 PolarHBondContact NH2-OG 3.03Å; D41-S45 PolarHBondContact O-N 2.98Å; D41-S45 PolarHBondContact O-OG 2.95Å; T42-S45 PolarHBondContact O-N 3.41Å; F43-S45 VanDerWaalsContact C-N 3.33Å; F43-S45 PolarHBondContact O-N 2.95Å
46V87.1Confident82.3Confident0 Ų054.7 Ų54.70%028%0.282CS..Hα-helixtrans-109.3-11.1-178.8-52.80000113.9W22 I23 N26 N27 T42 F48 V49 M50 F106W22-V46 HydrophobicContact CZ3-CG1 4.36Å; I23-V46 HydrophobicContact CG2-CB 3.92Å; I23-V46 HydrophobicContact CG2-CG1 4.32Å; I23-V46 HydrophobicContact CG2-CG2 3.95Å; N26-V46 HydrophobicContact CB-CG1 4.02Å; N27-V46 WeakPolarHBondContact OD1-CG1 3.42Å; T42-V46 HydrophobicContact CG2-CG2 3.94Å; T42-V46 WeakPolarHBondContact O-CG2 3.4Å; T42-V46 PolarHBondContact O-N 2.97Å; V46-F48 PolarHBondContact O-N 3.12Å; V46-V49 PolarHBondContact O-N 3.18Å; V46-M50 WeakPolarHBondContact O-CB 3.23Å; V46-M50 PolarHBondContact O-N 3Å; V46-F106 HydrophobicContact CG2-CD2 4.29Å
47G86.3Confident83.5Confident4 Ų447.3 Ų47.34%0.04125%0.248CC..Hα-helixtrans-56.1-47.9-175.600000112.6F43 V49 M50 S51F43-G47 WeakPolarHBondContact O-CA 3.42Å; F43-G47 PolarHBondContact O-N 3.25Å; G47-V49 PolarHBondContact O-N 2.81Å; G47-M50 WeakPolarHBondContact O-CB 3.37Å; G47-M50 PolarHBondContact O-N 3.36Å; G47-S51 WeakPolarHBondContact O-CB 3.26Å; G47-S51 PolarHBondContact O-N 3.48Å; G47-S51 PolarHBondContact O-OG 3.25Å
48F89.2Confident84.6Confident162 Ų16244 Ų4471%0.71123%0.23SC*.Hα-helixtrans-58-48.7178.9178.2-101.6000113V46 M50 S51 L52V46-F48 PolarHBondContact O-N 3.12Å; F48-M50 VanDerWaalsContact C-N 3.33Å; F48-M50 PolarHBondContact O-N 3.06Å; F48-S51 PolarHBondContact O-N 3.45Å; F48-L52 PolarHBondContact O-N 2.95Å
49V91.3Very high85.8Confident35 Ų3546.9 Ų46.921%0.21224%0.244CC..Hα-helixtrans-68.2-37.3-179.8-176.60000110.6W22 I23 V46 G47 L52 C53W22-V49 HydrophobicContact CE3-CB 4.1Å; W22-V49 HydrophobicContact CE3-CG1 3.88Å; W22-V49 HydrophobicContact CE3-CG2 4.07Å; W22-V49 HydrophobicContact CH2-CG2 3.88Å; W22-V49 HydrophobicContact CZ3-CB 3.7Å; W22-V49 HydrophobicContact CZ3-CG1 4.01Å; W22-V49 HydrophobicContact CZ3-CG2 3.43Å; W22-V49 VanDerWaalsContact CZ3-CG2 3.43Å; I23-V49 HydrophobicContact CD1-CB 4.43Å; I23-V49 HydrophobicContact CD1-CG1 4.07Å; I23-V49 HydrophobicContact CG1-CB 4.25Å; I23-V49 HydrophobicContact CG1-CG1 3.98Å; V46-V49 PolarHBondContact O-N 3.18Å; G47-V49 PolarHBondContact O-N 2.81Å; V49-L52 PolarHBondContact O-N 3.44Å; V49-C53 PolarHBondContact O-N 2.82Å; V49-C53 PolarHBondContact O-SG 2.96Å
50M91.5Very high87Confident0 Ų045.1 Ų45.10%024%0.235CC..Hα-helixtrans-62.1-45.1174.7-172.359.7175.600111.6I23 V46 G47 F48 L52 C53 Q54 F106 W109 N110I23-M50 HydrophobicContact CD1-CB 4.03Å; I23-M50 HydrophobicContact CD1-SD 3.79Å; V46-M50 WeakPolarHBondContact O-CB 3.23Å; V46-M50 PolarHBondContact O-N 3Å; G47-M50 WeakPolarHBondContact O-CB 3.37Å; G47-M50 PolarHBondContact O-N 3.36Å; F48-M50 VanDerWaalsContact C-N 3.33Å; F48-M50 PolarHBondContact O-N 3.06Å; M50-L52 VanDerWaalsContact C-N 3.35Å; M50-L52 PolarHBondContact O-N 3.32Å; M50-C53 PolarHBondContact O-N 2.68Å; M50-Q54 HydrophobicContact CE-CG 4.25Å; M50-Q54 PolarHBondContact O-N 3.23Å; M50-F106 HydrophobicContact CB-CD2 4.35Å; M50-F106 HydrophobicContact CB-CE2 4.03Å; M50-F106 HydrophobicContact CG-CD2 3.96Å; M50-F106 HydrophobicContact CG-CE2 3.78Å; M50-F106 HydrophobicContact CG-CZ 4.22Å; M50-W109 HydrophobicContact CE-CB 3.6Å; M50-W109 HydrophobicContact CE-CD2 4.08Å; M50-W109 HydrophobicContact CE-CE3 3.42Å; M50-W109 VanDerWaalsContact CE-CE3 3.42Å; M50-W109 HydrophobicContact CE-CG 4.24Å; M50-W109 HydrophobicContact CE-CZ3 4.31Å; M50-N110 PolarHBondContact SD-ND2 3.48Å
51S91.8Very high88.2Confident27 Ų2744.4 Ų44.419%0.18923%0.226CC..Hα-helixtrans-61.4-42.8175.9-58.70000112G47 F48 Q54 L55G47-S51 WeakPolarHBondContact O-CB 3.26Å; G47-S51 PolarHBondContact O-N 3.48Å; G47-S51 PolarHBondContact O-OG 3.25Å; F48-S51 PolarHBondContact O-N 3.45Å; S51-Q54 PolarHBondContact O-N 3.29Å; S51-L55 VanDerWaalsContact O-CB 3.26Å; S51-L55 WeakPolarHBondContact O-CB 3.46Å; S51-L55 PolarHBondContact O-N 3.46Å
52L93.6Very high89Confident69 Ų6946 Ų4636%0.36123%0.229SC..Hα-helixtrans-62.1-46.5176-177.563.9000111.7F48 V49 M50 L55 L56F48-L52 PolarHBondContact O-N 2.95Å; V49-L52 PolarHBondContact O-N 3.44Å; M50-L52 VanDerWaalsContact C-N 3.35Å; M50-L52 PolarHBondContact O-N 3.32Å; L52-L55 PolarHBondContact O-N 3.4Å; L52-L56 HydrophobicContact CD1-CD1 4.37Å; L52-L56 HydrophobicContact CG-CD1 4.18Å; L52-L56 WeakPolarHBondContact O-CB 3.41Å; L52-L56 VanDerWaalsContact O-CG 3.29Å; L52-L56 WeakPolarHBondContact O-CG 3.49Å; L52-L56 PolarHBondContact O-N 2.98Å
53C93.7Very high89.8Confident1 Ų146 Ų461%0.00723%0.228CC..Hα-helixtrans-62.4-44.5179.1-650000111.5Q16 V49 M50 L56 S57Q16-C53 PolarHBondContact NE2-O 3.32Å; V49-C53 PolarHBondContact O-N 2.82Å; V49-C53 PolarHBondContact O-SG 2.96Å; M50-C53 PolarHBondContact O-N 2.68Å; C53-L56 PolarHBondContact O-N 3.2Å; C53-S57 PolarHBondContact O-N 2.77Å; C53-S57 PolarHBondContact O-OG 3.31Å
54Q92.9Very high90.5Very high3 Ų345.6 Ų45.61%0.01423%0.227CC..Hα-helixtrans-67.1-38178.1-76.5-163.8-11.400113.6M50 S51 L56 S57 K83 N84 L87M50-Q54 HydrophobicContact CE-CG 4.25Å; M50-Q54 PolarHBondContact O-N 3.23Å; S51-Q54 PolarHBondContact O-N 3.29Å; Q54-L56 VanDerWaalsContact C-N 3.33Å; Q54-S57 WeakPolarHBondContact O-CB 3.31Å; Q54-S57 PolarHBondContact O-N 3.25Å; Q54-K83 PolarHBondContact OE1-O 3.08Å; Q54-N84 PolarHBondContact O-ND2 3.31Å; Q54-L87 HydrophobicContact CB-CD2 4.08Å; Q54-L87 HydrophobicContact CG-CD2 4.46Å
55L92.8Very high91Very high105 Ų10541.1 Ų41.155%0.5522%0.222SC..Hα-helixtrans-63.4-43.6174.6-177.268.3000110.5S51 L52 S57 I58S51-L55 VanDerWaalsContact O-CB 3.26Å; S51-L55 WeakPolarHBondContact O-CB 3.46Å; S51-L55 PolarHBondContact O-N 3.46Å; L52-L55 PolarHBondContact O-N 3.4Å; L55-S57 PolarHBondContact O-N 3.43Å; L55-I58 HydrophobicContact CD1-CD1 3.87Å; L55-I58 VanDerWaalsContact O-CB 3.29Å; L55-I58 WeakPolarHBondContact O-CB 3.46Å; L55-I58 WeakPolarHBondContact O-CG1 3.26Å; L55-I58 PolarHBondContact O-N 2.87Å; L55-I58 VanDerWaalsContact O-N 3.1Å
56L93.4Very high91.5Very high47 Ų4743.7 Ų43.725%0.24623%0.231CC..Hα-helixtrans-63.6-28.4175.5-73171.6000112.4Y12 F15 L52 C53 Q54 I58 L59Y12-L56 HydrophobicContact CE2-CB 4.41Å; Y12-L56 PolarHBondContact OH-O 3.34Å; F15-L56 HydrophobicContact CD1-CD1 3.96Å; F15-L56 HydrophobicContact CE1-CD1 3.45Å; F15-L56 VanDerWaalsContact CE1-CD1 3.45Å; F15-L56 HydrophobicContact CZ-CD1 4.46Å; L52-L56 HydrophobicContact CD1-CD1 4.37Å; L52-L56 HydrophobicContact CG-CD1 4.18Å; L52-L56 WeakPolarHBondContact O-CB 3.41Å; L52-L56 VanDerWaalsContact O-CG 3.29Å; L52-L56 WeakPolarHBondContact O-CG 3.49Å; L52-L56 PolarHBondContact O-N 2.98Å; C53-L56 PolarHBondContact O-N 3.2Å; Q54-L56 VanDerWaalsContact C-N 3.33Å; L56-I58 PolarHBondContact O-N 3.04Å; L56-I58 VanDerWaalsContact O-N 3.16Å; L56-L59 HydrophobicContact CD2-CD1 4Å; L56-L59 VanDerWaalsContact O-CB 3.23Å; L56-L59 WeakPolarHBondContact O-CB 3.36Å; L56-L59 WeakPolarHBondContact O-CG 3.3Å; L56-L59 PolarHBondContact O-N 2.77Å
57S93.1Very high91.3Very high8 Ų845.5 Ų45.56%0.05625%0.251CS..THydrogen-bonded Turntrans-64.2-14174.2-67.10000114Y12 Q16 C53 Q54 L55 L59 E60 Y117Y12-S57 WeakPolarHBondContact OH-CA 3.27Å; Q16-S57 PolarHBondContact NE2-OG 3.22Å; C53-S57 PolarHBondContact O-N 2.77Å; C53-S57 PolarHBondContact O-OG 3.31Å; Q54-S57 WeakPolarHBondContact O-CB 3.31Å; Q54-S57 PolarHBondContact O-N 3.25Å; L55-S57 PolarHBondContact O-N 3.43Å; S57-L59 PolarHBondContact O-N 2.88Å; S57-E60 VanDerWaalsContact O-CB 3.28Å; S57-E60 WeakPolarHBondContact O-CB 3.34Å; S57-E60 WeakPolarHBondContact O-CG 3.16Å; S57-E60 PolarHBondContact O-N 3.39Å; S57-E60 PolarHBondContact OG-OE1 3.27Å; S57-Y117 PolarHBondContact OG-OH 3.49Å
58I93.1Very high91.3Very high60 Ų6047.2 Ų47.231%0.30826%0.258SS..THydrogen-bonded Turntrans-61.9-32.4168.5-60.4178.2000111L55 L56 E60 I61 F62 V80L55-I58 HydrophobicContact CD1-CD1 3.87Å; L55-I58 VanDerWaalsContact O-CB 3.29Å; L55-I58 WeakPolarHBondContact O-CB 3.46Å; L55-I58 WeakPolarHBondContact O-CG1 3.26Å; L55-I58 PolarHBondContact O-N 2.87Å; L55-I58 VanDerWaalsContact O-N 3.1Å; L56-I58 PolarHBondContact O-N 3.04Å; L56-I58 VanDerWaalsContact O-N 3.16Å; I58-E60 PolarHBondContact O-N 2.94Å; I58-E60 VanDerWaalsContact O-N 3.16Å; I58-I61 WeakPolarHBondContact O-CB 3.47Å; I58-I61 PolarHBondContact O-N 3.41Å; I58-I61 VanDerWaalsContact O-N 3.08Å; I58-F62 HydrophobicContact CG2-CE2 4.12Å; I58-V80 HydrophobicContact CG1-CG1 3.99Å
59L93.1Very high91.1Very high61 Ų6141.4 Ų41.432%0.31923%0.233SC..Hα-helixtrans-60.1-26.5176.8-62.9175.3000112.7Y12 L56 S57 I61 F62 H63Y12-L59 HydrophobicContact CE2-CB 4.29Å; Y12-L59 HydrophobicContact CE2-CD1 4.26Å; L56-L59 HydrophobicContact CD2-CD1 4Å; L56-L59 VanDerWaalsContact O-CB 3.23Å; L56-L59 WeakPolarHBondContact O-CB 3.36Å; L56-L59 WeakPolarHBondContact O-CG 3.3Å; L56-L59 PolarHBondContact O-N 2.77Å; S57-L59 PolarHBondContact O-N 2.88Å; L59-I61 PolarHBondContact O-N 3.28Å; L59-F62 WeakPolarHBondContact O-CB 3.45Å; L59-F62 PolarHBondContact O-N 3.41Å; L59-F62 VanDerWaalsContact O-N 3.08Å; L59-H63 PolarHBondContact O-CD2 2.81Å; L59-H63 VanDerWaalsContact O-CG 3.23Å; L59-H63 PolarHBondContact O-N 3.35Å
60E92.3Very high90.5Very high3 Ų349.7 Ų49.71%0.01427%0.266CS..Hα-helixtrans-63.6-31.3178.3-56.5174.3-177.800112Y12 S57 I58 F62 H63 I64 R76 R116 Y117Y12-E60 HydrophobicContact CE1-CG 3.98Å; Y12-E60 WeakPolarHBondContact OH-CG 3.44Å; Y12-E60 PolarHBondContact OH-OE1 3.25Å; S57-E60 VanDerWaalsContact O-CB 3.28Å; S57-E60 WeakPolarHBondContact O-CB 3.34Å; S57-E60 WeakPolarHBondContact O-CG 3.16Å; S57-E60 PolarHBondContact O-N 3.39Å; S57-E60 PolarHBondContact OG-OE1 3.27Å; I58-E60 PolarHBondContact O-N 2.94Å; I58-E60 VanDerWaalsContact O-N 3.16Å; E60-F62 VanDerWaalsContact C-N 3.32Å; E60-H63 PolarHBondContact O-N 3.5Å; E60-I64 WeakPolarHBondContact O-CG1 3.3Å; E60-I64 PolarHBondContact O-N 2.97Å; E60-I64 VanDerWaalsContact O-N 3.09Å; E60-R76 HydrophobicContact CB-CG 4.16Å; E60-R76 VanDerWaalsContact OE2-CD 3.23Å; E60-R76 WeakPolarHBondContact OE2-CD 3.16Å; E60-R76 IonicContact OE2-CZ 3.51Å; E60-R76 IonicContact OE2-NE 2.68Å; E60-R76 PolarHBondContact OE2-NE 3.29Å; E60-R76 IonicContact OE2-NH1 3.54Å; E60-R116 IonicContact OE1-CZ 3.82Å; E60-R116 IonicContact OE1-NH1 2.77Å; E60-R116 PolarHBondContact OE1-NH1 2.89Å; E60-R116 VanDerWaalsContact OE1-NH1 3.12Å; E60-R116 IonicContact OE1-NH2 2.77Å; E60-R116 PolarHBondContact OE1-NH2 2.71Å; E60-R116 IonicContact OE2-CZ 3.06Å; E60-R116 IonicContact OE2-NH1 2.81Å; E60-R116 PolarHBondContact OE2-NH1 3.44Å; E60-R116 IonicContact OE2-NH2 3.12Å; E60-Y117 PolarHBondContact OE1-OH 2.9Å
61I92.6Very high90.1Very high25 Ų2551.9 Ų51.913%0.12828%0.284CS..Hα-helixtrans-63.6-44.4175.6-57.7172000109.1I58 L59 I64 A65 L73 F77 V80I58-I61 WeakPolarHBondContact O-CB 3.47Å; I58-I61 PolarHBondContact O-N 3.41Å; I58-I61 VanDerWaalsContact O-N 3.08Å; L59-I61 PolarHBondContact O-N 3.28Å; I61-I64 PolarHBondContact O-N 2.89Å; I61-A65 VanDerWaalsContact O-CB 3.29Å; I61-A65 WeakPolarHBondContact O-CB 3.35Å; I61-A65 PolarHBondContact O-N 3.2Å; I61-L73 HydrophobicContact CG2-CD1 3.89Å; I61-L73 WeakPolarHBondContact O-CD1 3.29Å; I61-F77 HydrophobicContact CD1-CD2 3.98Å; I61-F77 HydrophobicContact CG2-CD2 4.24Å; I61-V80 HydrophobicContact CD1-CB 4.1Å; I61-V80 HydrophobicContact CD1-CG1 3.88Å; I61-V80 HydrophobicContact CG1-CB 4.42Å; I61-V80 HydrophobicContact CG1-CG1 4.44Å
62F91.6Very high89.8Confident115 Ų11556.2 Ų56.250%0.50430%0.297SS..Hα-helixtrans-67.7-39.8176.2-64.5-75.5000111.9I58 L59 E60 I64 A65 D66I58-F62 HydrophobicContact CG2-CE2 4.12Å; L59-F62 WeakPolarHBondContact O-CB 3.45Å; L59-F62 PolarHBondContact O-N 3.41Å; L59-F62 VanDerWaalsContact O-N 3.08Å; E60-F62 VanDerWaalsContact C-N 3.32Å; F62-I64 PolarHBondContact O-N 2.76Å; F62-A65 PolarHBondContact O-N 2.99Å; F62-D66 WeakPolarHBondContact O-CB 3.41Å; F62-D66 PolarHBondContact O-N 3.28Å
63H91.9Very high89.4Confident4 Ų456.6 Ų56.62%0.01930%0.299CS..Hα-helixtrans-57.6-39.8176.4-60.2163.1000111.7Y8 Y12 L59 E60 I68 E69Y8-H63 AromaticContact CE1-CD2 3.89Å; Y8-H63 AromaticContact CE1-NE2 3.34Å; Y8-H63 VanDerWaalsContact CE1-NE2 3.34Å; Y8-H63 WeakPolarHBondContact CE1-NE2 3.33Å; Y8-H63 AromaticContact CZ-NE2 3.5Å; Y8-H63 PolarHBondContact OH-NE2 3.22Å; Y12-H63 AromaticContact CD1-CE1 3.8Å; Y12-H63 AromaticContact CE1-CE1 3.95Å; Y12-H63 AromaticContact CG-CE1 3.88Å; L59-H63 PolarHBondContact O-CD2 2.81Å; L59-H63 VanDerWaalsContact O-CG 3.23Å; L59-H63 PolarHBondContact O-N 3.35Å; E60-H63 PolarHBondContact O-N 3.5Å; H63-I68 HydrophobicContact CB-CB 4.3Å; H63-I68 HydrophobicContact CB-CG2 4.45Å; H63-I68 CarbonylContact O-C 3.52Å; H63-I68 VanDerWaalsContact O-CA 3.27Å; H63-I68 WeakPolarHBondContact O-CA 3.48Å; H63-I68 VanDerWaalsContact O-CB 3.22Å; H63-I68 WeakPolarHBondContact O-CB 2.91Å; H63-I68 PolarHBondContact O-N 3.38Å; H63-E69 HydrophobicContact CB-CB 4.24Å; H63-E69 PolarHBondContact O-N 2.95Å
64I90.6Very high88.9Confident15 Ų1561.3 Ų61.38%0.07732%0.323CS..Hα-helixtrans-76.6-43.6176.9-60.8172.6000111.4E60 I61 F62 D66 G67 E69 A71 L73 R76E60-I64 WeakPolarHBondContact O-CG1 3.3Å; E60-I64 PolarHBondContact O-N 2.97Å; E60-I64 VanDerWaalsContact O-N 3.09Å; I61-I64 PolarHBondContact O-N 2.89Å; F62-I64 PolarHBondContact O-N 2.76Å; I64-D66 PolarHBondContact O-N 3.23Å; I64-G67 PolarHBondContact O-N 2.68Å; I64-G67 VanDerWaalsContact O-N 3.08Å; I64-E69 HydrophobicContact CG1-CB 4.28Å; I64-A71 HydrophobicContact CD1-CB 3.72Å; I64-A71 HydrophobicContact CG1-CB 4.02Å; I64-A71 VanDerWaalsContact CG2-O 3.28Å; I64-A71 WeakPolarHBondContact CG2-O 3.5Å; I64-L73 HydrophobicContact CB-CD1 3.99Å; I64-L73 HydrophobicContact CG2-CB 3.89Å; I64-L73 HydrophobicContact CG2-CD1 3.99Å; I64-R76 HydrophobicContact CD1-CB 3.5Å; I64-R76 HydrophobicContact CD1-CG 3.55Å
65A90.4Very high88.6Confident61 Ų6161.9 Ų61.950%0.50433%0.327SS..Hα-helixtrans-61.8-41.5-177.700000112.5I61 F62 G67 L73I61-A65 VanDerWaalsContact O-CB 3.29Å; I61-A65 WeakPolarHBondContact O-CB 3.35Å; I61-A65 PolarHBondContact O-N 3.2Å; F62-A65 PolarHBondContact O-N 2.99Å; A65-G67 PolarHBondContact O-N 3.1Å; A65-L73 HydrophobicContact CB-CD1 4.36Å
66D88.4Confident88.4Confident112 Ų11258.1 Ų58.160%0.59931%0.306SS*.THydrogen-bonded Turntrans-80.13178.2-62.4-26.9000112.6F62 I64 I68F62-D66 WeakPolarHBondContact O-CB 3.41Å; F62-D66 PolarHBondContact O-N 3.28Å; I64-D66 PolarHBondContact O-N 3.23Å; D66-I68 HydrophobicContact CB-CD1 4.05Å; D66-I68 HydrophobicContact CB-CG1 3.97Å; D66-I68 PolarHBondContact O-N 3.32Å
67G84.6Confident88.2Confident39 Ų3960.5 Ų60.540%0.40231%0.314SS..THydrogen-bonded Turntrans65.820.3-177.800000113.6R5 I64 A65R5-G67 PolarHBondContact NH2-O 2.67Å; I64-G67 PolarHBondContact O-N 2.68Å; I64-G67 VanDerWaalsContact O-N 3.08Å; A65-G67 PolarHBondContact O-N 3.1Å
68I85.2Confident87.9Confident39 Ų3961.6 Ų61.620%0.232%0.319CS..SBendtrans-67.6-39.2174.5-63.7174.9000110.4R5 I9 H63 D66R5-I68 HydrophobicContact CG-CG2 4.08Å; R5-I68 VanDerWaalsContact CZ-CA 3.41Å; R5-I68 PolarHBondContact NE-O 3.13Å; R5-I68 PolarHBondContact NH2-O 2.7Å; I9-I68 HydrophobicContact CD1-CG2 3.27Å; I9-I68 HydrophobicContact CG1-CG2 3.51Å; H63-I68 HydrophobicContact CB-CB 4.3Å; H63-I68 HydrophobicContact CB-CG2 4.45Å; H63-I68 CarbonylContact O-C 3.52Å; H63-I68 VanDerWaalsContact O-CA 3.27Å; H63-I68 WeakPolarHBondContact O-CA 3.48Å; H63-I68 VanDerWaalsContact O-CB 3.22Å; H63-I68 WeakPolarHBondContact O-CB 2.91Å; H63-I68 PolarHBondContact O-N 3.38Å; D66-I68 HydrophobicContact CB-CD1 4.05Å; D66-I68 HydrophobicContact CB-CG1 3.97Å; D66-I68 PolarHBondContact O-N 3.32Å
69E84.3Confident87.7Confident40 Ų4059.7 Ų59.719%0.18731%0.309CS..SBendtrans-117.4138.5174.7-169.6-179.7144.800110.7H63 I64 A71H63-E69 HydrophobicContact CB-CB 4.24Å; H63-E69 PolarHBondContact O-N 2.95Å; I64-E69 HydrophobicContact CG1-CB 4.28Å; E69-A71 HydrophobicContact CG-CB 4.44Å; E69-A71 PolarHBondContact O-N 2.93Å
70K79.3Confident87.6Confident209 Ų20956.9 Ų56.991%0.90929%0.294SS*.  trans-91.277178.2-66.9-176.4-178.4177.90110.3
71A82.8Confident87.5Confident46 Ų4659.9 Ų59.938%0.3831%0.31SS..SBendtrans-133.5173.117500000111.3I64 E69I64-A71 HydrophobicContact CD1-CB 3.72Å; I64-A71 HydrophobicContact CG1-CB 4.02Å; I64-A71 VanDerWaalsContact CG2-O 3.28Å; I64-A71 WeakPolarHBondContact CG2-O 3.5Å; E69-A71 HydrophobicContact CG-CB 4.44Å; E69-A71 PolarHBondContact O-N 2.93Å
72R85Confident87.3Confident118 Ų11859.6 Ų59.645%0.44531%0.308SS..  trans-80.7131.6174.5-60.4-178.5-166.9-120.6-4.5108.7P75 E194R72-P75 HydrophobicContact CB-CG 3.79Å; R72-P75 VanDerWaalsContact O-CD 3.26Å; R72-P75 WeakPolarHBondContact O-CD 3.07Å; R72-E194 IonicContact CZ-OE1 3.9Å; R72-E194 IonicContact NE-OE1 3.53Å; R72-E194 PolarHBondContact NE-OE1 3.04Å; R72-E194 IonicContact NH2-OE1 3.51Å
73L86.3Confident87.2Confident77 Ų7755.4 Ų55.440%0.40329%0.29SS..Hα-helixtrans-71-50.9-177.9-176.264.4000112.5I61 I64 A65 P75 R76 F77I61-L73 HydrophobicContact CG2-CD1 3.89Å; I61-L73 WeakPolarHBondContact O-CD1 3.29Å; I64-L73 HydrophobicContact CB-CD1 3.99Å; I64-L73 HydrophobicContact CG2-CB 3.89Å; I64-L73 HydrophobicContact CG2-CD1 3.99Å; A65-L73 HydrophobicContact CB-CD1 4.36Å; L73-P75 VanDerWaalsContact C-CD 3.41Å; L73-R76 PolarHBondContact O-N 3.03Å; L73-F77 WeakPolarHBondContact O-CB 3.47Å; L73-F77 PolarHBondContact O-N 2.93Å
74L84Confident87.2Confident101 Ų10156.2 Ų56.253%0.52929%0.294SS..Hα-helixtrans-51.3-46.8-175.2-172.370.6000114.3F77 I78L74-F77 PolarHBondContact O-N 3.45Å; L74-I78 HydrophobicContact CD1-CD1 4.28Å; L74-I78 HydrophobicContact CG-CD1 4.03Å; L74-I78 VanDerWaalsContact O-CG1 3.3Å; L74-I78 WeakPolarHBondContact O-CG1 3.31Å; L74-I78 PolarHBondContact O-N 3.2Å
75P85.3Confident87.1Confident14 Ų1459.1 Ų59.19%0.09131%0.309CS..Hα-helixtrans-75.2-34.4-174.7-13.634.4000110.6R72 L73 Q79 Q190R72-P75 HydrophobicContact CB-CG 3.79Å; R72-P75 VanDerWaalsContact O-CD 3.26Å; R72-P75 WeakPolarHBondContact O-CD 3.07Å; L73-P75 VanDerWaalsContact C-CD 3.41Å; P75-Q79 WeakPolarHBondContact O-CB 3.3Å; P75-Q79 WeakPolarHBondContact O-CG 3.47Å; P75-Q79 PolarHBondContact O-N 3.32Å; P75-Q79 VanDerWaalsContact O-N 3.11Å; P75-Q190 VanDerWaalsContact CB-OE1 3.25Å
76R89.4Confident87.2Confident26 Ų2656.4 Ų56.410%0.09829%0.286CS..Hα-helixtrans-65.4-43.9174.5-173.566.8-83.6166.30.9111E60 I64 L73 V80 R116E60-R76 HydrophobicContact CB-CG 4.16Å; E60-R76 VanDerWaalsContact OE2-CD 3.23Å; E60-R76 WeakPolarHBondContact OE2-CD 3.16Å; E60-R76 IonicContact OE2-CZ 3.51Å; E60-R76 IonicContact OE2-NE 2.68Å; E60-R76 PolarHBondContact OE2-NE 3.29Å; E60-R76 IonicContact OE2-NH1 3.54Å; I64-R76 HydrophobicContact CD1-CB 3.5Å; I64-R76 HydrophobicContact CD1-CG 3.55Å; L73-R76 PolarHBondContact O-N 3.03Å; R76-V80 HydrophobicContact CG-CG2 4.44Å; R76-V80 WeakPolarHBondContact O-CB 3.47Å; R76-V80 VanDerWaalsContact O-CG2 3.26Å; R76-V80 WeakPolarHBondContact O-CG2 3.24Å; R76-V80 PolarHBondContact O-N 3.21Å; R76-R116 VanDerWaalsContact NH1-CZ 3.31Å
77F88.7Confident87.3Confident98 Ų9851.3 Ų51.343%0.4326%0.258SS..Hα-helixtrans-58.1-54.6177.1176.6-94000111.3I61 L73 L74 Q79 V80 I81I61-F77 HydrophobicContact CD1-CD2 3.98Å; I61-F77 HydrophobicContact CG2-CD2 4.24Å; L73-F77 WeakPolarHBondContact O-CB 3.47Å; L73-F77 PolarHBondContact O-N 2.93Å; L74-F77 PolarHBondContact O-N 3.45Å; F77-Q79 PolarHBondContact O-N 2.99Å; F77-V80 PolarHBondContact O-N 3.48Å; F77-I81 HydrophobicContact CD1-CG1 4.41Å; F77-I81 HydrophobicContact CD2-CG1 4.19Å; F77-I81 HydrophobicContact CE1-CG1 4.1Å; F77-I81 HydrophobicContact CE2-CD1 4.27Å; F77-I81 HydrophobicContact CE2-CG1 3.86Å; F77-I81 HydrophobicContact CG-CG1 4.44Å; F77-I81 HydrophobicContact CZ-CD1 4.43Å; F77-I81 HydrophobicContact CZ-CG1 3.82Å; F77-I81 WeakPolarHBondContact O-CB 3.26Å; F77-I81 VanDerWaalsContact O-CG1 3.31Å; F77-I81 WeakPolarHBondContact O-CG1 3.41Å; F77-I81 PolarHBondContact O-N 3.19Å
78I87.1Confident87.6Confident31 Ų3154.2 Ų54.216%0.15926%0.264CS..Hα-helixtrans-54.7-52.9179.1-70.8169.9000110.3L74 V80 I81 E82L74-I78 HydrophobicContact CD1-CD1 4.28Å; L74-I78 HydrophobicContact CG-CD1 4.03Å; L74-I78 VanDerWaalsContact O-CG1 3.3Å; L74-I78 WeakPolarHBondContact O-CG1 3.31Å; L74-I78 PolarHBondContact O-N 3.2Å; I78-V80 VanDerWaalsContact C-N 3.34Å; I78-V80 PolarHBondContact O-N 2.94Å; I78-I81 PolarHBondContact O-N 3.41Å; I78-E82 VanDerWaalsContact CG2-CD 3.41Å; I78-E82 HydrophobicContact CG2-CG 4.24Å; I78-E82 WeakPolarHBondContact CG2-OE1 3.44Å; I78-E82 WeakPolarHBondContact O-CB 3.46Å; I78-E82 VanDerWaalsContact O-CG 3.27Å; I78-E82 WeakPolarHBondContact O-CG 3.46Å; I78-E82 PolarHBondContact O-N 2.94Å
79Q88.9Confident87.7Confident20 Ų2054 Ų549%0.09326%0.263CS..Hα-helixtrans-62.3-36.8-178.5-71.3174.119.700113.9P75 F77 K83 Y144 T187P75-Q79 WeakPolarHBondContact O-CB 3.3Å; P75-Q79 WeakPolarHBondContact O-CG 3.47Å; P75-Q79 PolarHBondContact O-N 3.32Å; P75-Q79 VanDerWaalsContact O-N 3.11Å; F77-Q79 PolarHBondContact O-N 2.99Å; Q79-K83 WeakPolarHBondContact O-CB 3.21Å; Q79-K83 WeakPolarHBondContact O-CG 3.37Å; Q79-K83 PolarHBondContact O-N 3.34Å; Q79-Y144 HydrophobicContact CG-CE2 4.15Å; Q79-T187 HydrophobicContact CG-CG2 4.35Å
80V91.4Very high88Confident2 Ų252.2 Ų52.21%0.01225%0.254CS..Hα-helixtrans-72.3-43.4179.6169.60000110.4I58 I61 R76 F77 I78 N84I58-V80 HydrophobicContact CG1-CG1 3.99Å; I61-V80 HydrophobicContact CD1-CB 4.1Å; I61-V80 HydrophobicContact CD1-CG1 3.88Å; I61-V80 HydrophobicContact CG1-CB 4.42Å; I61-V80 HydrophobicContact CG1-CG1 4.44Å; R76-V80 HydrophobicContact CG-CG2 4.44Å; R76-V80 WeakPolarHBondContact O-CB 3.47Å; R76-V80 VanDerWaalsContact O-CG2 3.26Å; R76-V80 WeakPolarHBondContact O-CG2 3.24Å; R76-V80 PolarHBondContact O-N 3.21Å; F77-V80 PolarHBondContact O-N 3.48Å; I78-V80 VanDerWaalsContact C-N 3.34Å; I78-V80 PolarHBondContact O-N 2.94Å; V80-N84 WeakPolarHBondContact O-CB 3.44Å; V80-N84 PolarHBondContact O-N 3Å; V80-N84 VanDerWaalsContact O-N 3.08Å; V80-N84 PolarHBondContact O-ND2 3.32Å
81I89.4Confident88.4Confident65 Ų6545.7 Ų45.733%0.33323%0.228SC..Hα-helixtrans-67-47.4-179.5-66.1-62.6000111F77 I78 K83 N84 I85F77-I81 HydrophobicContact CD1-CG1 4.41Å; F77-I81 HydrophobicContact CD2-CG1 4.19Å; F77-I81 HydrophobicContact CE1-CG1 4.1Å; F77-I81 HydrophobicContact CE2-CD1 4.27Å; F77-I81 HydrophobicContact CE2-CG1 3.86Å; F77-I81 HydrophobicContact CG-CG1 4.44Å; F77-I81 HydrophobicContact CZ-CD1 4.43Å; F77-I81 HydrophobicContact CZ-CG1 3.82Å; F77-I81 WeakPolarHBondContact O-CB 3.26Å; F77-I81 VanDerWaalsContact O-CG1 3.31Å; F77-I81 WeakPolarHBondContact O-CG1 3.41Å; F77-I81 PolarHBondContact O-N 3.19Å; I78-I81 PolarHBondContact O-N 3.41Å; I81-K83 PolarHBondContact O-N 3.26Å; I81-N84 PolarHBondContact O-N 3.3Å; I81-I85 HydrophobicContact CG2-CD1 3.55Å; I81-I85 HydrophobicContact CG2-CG1 4.24Å; I81-I85 VanDerWaalsContact O-CG1 3.31Å; I81-I85 WeakPolarHBondContact O-CG1 3.27Å; I81-I85 PolarHBondContact O-N 3.04Å
82E87.8Confident88.6Confident19 Ų1950.4 Ų50.49%0.08924%0.244CC..Hα-helixtrans-55.9-51.6177.4-72.8172.3168.500111.2I78 N84 I85 L86 Y176I78-E82 VanDerWaalsContact CG2-CD 3.41Å; I78-E82 HydrophobicContact CG2-CG 4.24Å; I78-E82 WeakPolarHBondContact CG2-OE1 3.44Å; I78-E82 WeakPolarHBondContact O-CB 3.46Å; I78-E82 VanDerWaalsContact O-CG 3.27Å; I78-E82 WeakPolarHBondContact O-CG 3.46Å; I78-E82 PolarHBondContact O-N 2.94Å; E82-N84 VanDerWaalsContact C-N 3.35Å; E82-N84 PolarHBondContact O-N 2.9Å; E82-I85 PolarHBondContact O-N 2.91Å; E82-L86 PolarHBondContact O-N 3.31Å; E82-Y176 PolarHBondContact O-OH 3.36Å
83K90.9Very high88.7Confident28 Ų2845.5 Ų45.512%0.12223%0.227CC..Hα-helixtrans-59.2-43178.5-70.7177.594.9-177.90112.7Q54 Q79 I81 L87 W109 D113Q54-K83 PolarHBondContact OE1-O 3.08Å; Q79-K83 WeakPolarHBondContact O-CB 3.21Å; Q79-K83 WeakPolarHBondContact O-CG 3.37Å; Q79-K83 PolarHBondContact O-N 3.34Å; I81-K83 PolarHBondContact O-N 3.26Å; K83-L87 WeakPolarHBondContact O-CB 3.38Å; K83-L87 PolarHBondContact O-N 3.4Å; K83-W109 HydrophobicContact CB-CH2 4.45Å; K83-W109 HydrophobicContact CB-CZ2 4.04Å; K83-W109 VanDerWaalsContact CE-CD1 3.42Å; K83-W109 VanDerWaalsContact CE-CG 3.42Å; K83-W109 HydrophobicContact CG-CZ2 3.91Å; K83-W109 WeakPolarHBondContact O-CH2 3.31Å; K83-D113 IonicContact NZ-OD1 3.86Å; K83-D113 IonicContact NZ-OD2 3.1Å; K83-D113 PolarHBondContact NZ-OD2 2.86Å
84N91.8Very high88.6Confident20 Ų2048.2 Ų48.211%0.10724%0.237CC..Hα-helixtrans-70.1-39.3-179.4-84.4-84.8000112.2Q54 V80 I81 E82 L87 I88Q54-N84 PolarHBondContact O-ND2 3.31Å; V80-N84 WeakPolarHBondContact O-CB 3.44Å; V80-N84 PolarHBondContact O-N 3Å; V80-N84 VanDerWaalsContact O-N 3.08Å; V80-N84 PolarHBondContact O-ND2 3.32Å; I81-N84 PolarHBondContact O-N 3.3Å; E82-N84 VanDerWaalsContact C-N 3.35Å; E82-N84 PolarHBondContact O-N 2.9Å; N84-L87 PolarHBondContact O-N 3.46Å; N84-I88 VanDerWaalsContact O-CG1 3.26Å; N84-I88 WeakPolarHBondContact O-CG1 3.42Å; N84-I88 PolarHBondContact O-N 3.11Å
85I89.3Confident88.7Confident77 Ų7748.2 Ų48.240%0.39524%0.235SC..Hα-helixtrans-62.2-47.2176-68.1167.9000110I81 E82 L87 I88 M89 Y176I81-I85 HydrophobicContact CG2-CD1 3.55Å; I81-I85 HydrophobicContact CG2-CG1 4.24Å; I81-I85 VanDerWaalsContact O-CG1 3.31Å; I81-I85 WeakPolarHBondContact O-CG1 3.27Å; I81-I85 PolarHBondContact O-N 3.04Å; E82-I85 PolarHBondContact O-N 2.91Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 3.32Å; I85-I88 PolarHBondContact O-N 2.87Å; I85-M89 PolarHBondContact O-N 2.93Å; I85-Y176 HydrophobicContact CB-CE2 4Å; I85-Y176 HydrophobicContact CD1-CE2 4.19Å; I85-Y176 HydrophobicContact CG2-CD2 4.19Å; I85-Y176 HydrophobicContact CG2-CE2 3.42Å; I85-Y176 VanDerWaalsContact CG2-CE2 3.42Å
86L90.6Very high88.8Confident3 Ų347.6 Ų47.62%0.01623%0.231CC..Hα-helixtrans-60.9-43.5177.6-171.972.4000111.7E82 M89 V90 Q105 W109 E151 I154 I155E82-L86 PolarHBondContact O-N 3.31Å; L86-M89 HydrophobicContact CD1-CE 3.54Å; L86-M89 WeakPolarHBondContact O-CB 3.21Å; L86-M89 PolarHBondContact O-N 3.34Å; L86-V90 WeakPolarHBondContact O-CG2 3.2Å; L86-V90 PolarHBondContact O-N 3.35Å; L86-Q105 HydrophobicContact CD2-CG 3.96Å; L86-W109 HydrophobicContact CB-CH2 4Å; L86-W109 HydrophobicContact CB-CZ2 4.22Å; L86-W109 HydrophobicContact CD2-CH2 3.51Å; L86-W109 HydrophobicContact CD2-CZ2 3.41Å; L86-W109 VanDerWaalsContact CD2-CZ2 3.41Å; L86-W109 HydrophobicContact CG-CH2 4.1Å; L86-W109 HydrophobicContact CG-CZ2 4.34Å; L86-E151 HydrophobicContact CD1-CG 3.74Å; L86-E151 HydrophobicContact CD2-CB 4.13Å; L86-E151 HydrophobicContact CD2-CG 3.5Å; L86-E151 HydrophobicContact CG-CG 4.09Å; L86-I154 HydrophobicContact CD1-CB 4.42Å; L86-I154 HydrophobicContact CD1-CG2 4.02Å; L86-I154 HydrophobicContact CD2-CD1 4.25Å; L86-I155 HydrophobicContact CD1-CG1 4.11Å
87L91.7Very high88.7Confident5 Ų547 Ų473%0.02623%0.229CC..Hα-helixtrans-61.8-45177.9175.969.6000111.9Q54 K83 N84 I85 M89 V90 I91 F106Q54-L87 HydrophobicContact CB-CD2 4.08Å; Q54-L87 HydrophobicContact CG-CD2 4.46Å; K83-L87 WeakPolarHBondContact O-CB 3.38Å; K83-L87 PolarHBondContact O-N 3.4Å; N84-L87 PolarHBondContact O-N 3.46Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 3.32Å; L87-M89 VanDerWaalsContact C-N 3.29Å; L87-M89 PolarHBondContact O-N 3.44Å; L87-V90 PolarHBondContact O-N 3.15Å; L87-I91 HydrophobicContact CD1-CD1 4.14Å; L87-I91 HydrophobicContact CD1-CG1 4.35Å; L87-I91 HydrophobicContact CD2-CD1 4.28Å; L87-I91 HydrophobicContact CG-CD1 3.82Å; L87-I91 HydrophobicContact CG-CG1 4.43Å; L87-I91 VanDerWaalsContact O-CG1 3.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.36Å; L87-I91 PolarHBondContact O-N 3.29Å; L87-F106 HydrophobicContact CD1-CE1 4.32Å; L87-F106 HydrophobicContact CD1-CZ 3.73Å
88I89.6Confident88.4Confident100 Ų10045.1 Ų45.151%0.51323%0.228SC..Hα-helixtrans-59.6-44.9176.7-69.9164.6000109.8N84 I85 V90 I91 M92N84-I88 VanDerWaalsContact O-CG1 3.26Å; N84-I88 WeakPolarHBondContact O-CG1 3.42Å; N84-I88 PolarHBondContact O-N 3.11Å; I85-I88 PolarHBondContact O-N 2.87Å; I88-V90 VanDerWaalsContact C-N 3.33Å; I88-V90 PolarHBondContact O-N 3.46Å; I88-I91 PolarHBondContact O-N 3.25Å; I88-M92 HydrophobicContact CG2-CG 4.23Å; I88-M92 VanDerWaalsContact O-CG 3.24Å; I88-M92 WeakPolarHBondContact O-CG 3.33Å; I88-M92 PolarHBondContact O-N 3.17Å
89M88.3Confident88.4Confident36 Ų3646.9 Ų46.918%0.17723%0.234CC..Hα-helixtrans-57.8-44.9176.5-175.5-174.881.500111.9I85 L86 L87 M92 L93 I96 I154 I155 A158I85-M89 PolarHBondContact O-N 2.93Å; L86-M89 HydrophobicContact CD1-CE 3.54Å; L86-M89 WeakPolarHBondContact O-CB 3.21Å; L86-M89 PolarHBondContact O-N 3.34Å; L87-M89 VanDerWaalsContact C-N 3.29Å; L87-M89 PolarHBondContact O-N 3.44Å; M89-M92 PolarHBondContact O-N 3.44Å; M89-L93 HydrophobicContact CG-CD1 3.85Å; M89-L93 WeakPolarHBondContact O-CB 3.48Å; M89-L93 PolarHBondContact O-N 2.89Å; M89-L93 VanDerWaalsContact O-N 3.14Å; M89-I96 HydrophobicContact CE-CD1 4.25Å; M89-I154 HydrophobicContact CE-CG2 3.77Å; M89-I155 HydrophobicContact CE-CG1 4.08Å; M89-A158 HydrophobicContact CE-CB 3.9Å; M89-A158 HydrophobicContact SD-CB 4.15Å
90V89.6Confident88.3Confident2 Ų249.1 Ų49.11%0.01225%0.251CS..Hα-helixtrans-65.1-38.6176.51740000112.2F43 L86 L87 I88 M92 I96 Q97 V102 I154F43-V90 HydrophobicContact CD2-CG1 3.93Å; F43-V90 HydrophobicContact CE2-CG1 3.51Å; F43-V90 HydrophobicContact CZ-CG1 4.15Å; L86-V90 WeakPolarHBondContact O-CG2 3.2Å; L86-V90 PolarHBondContact O-N 3.35Å; L87-V90 PolarHBondContact O-N 3.15Å; I88-V90 VanDerWaalsContact C-N 3.33Å; I88-V90 PolarHBondContact O-N 3.46Å; V90-M92 VanDerWaalsContact C-N 3.34Å; V90-I96 HydrophobicContact CB-CD1 4.45Å; V90-I96 HydrophobicContact CG2-CD1 3.98Å; V90-Q97 HydrophobicContact CG1-CG 3.98Å; V90-Q97 WeakPolarHBondContact O-CG 3.41Å; V90-Q97 PolarHBondContact O-NE2 3.48Å; V90-V102 HydrophobicContact CG1-CG1 3.72Å; V90-V102 HydrophobicContact CG1-CG2 4.34Å; V90-V102 HydrophobicContact CG2-CG1 4.49Å; V90-V102 HydrophobicContact CG2-CG2 4.21Å; V90-I154 HydrophobicContact CG2-CG2 4.2Å
91I89.1Confident88.3Confident71 Ų7150.1 Ų50.136%0.36426%0.257SS..Hα-helixtrans-64.3-40.4175.7-69.8164.2000110.9F43 L87 I88 L93 Q97F43-I91 HydrophobicContact CZ-CG1 3.84Å; L87-I91 HydrophobicContact CD1-CD1 4.14Å; L87-I91 HydrophobicContact CD1-CG1 4.35Å; L87-I91 HydrophobicContact CD2-CD1 4.28Å; L87-I91 HydrophobicContact CG-CD1 3.82Å; L87-I91 HydrophobicContact CG-CG1 4.43Å; L87-I91 VanDerWaalsContact O-CG1 3.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.36Å; L87-I91 PolarHBondContact O-N 3.29Å; I88-I91 PolarHBondContact O-N 3.25Å; I91-L93 VanDerWaalsContact C-N 3.35Å; I91-Q97 PolarHBondContact O-NE2 3.01Å; I91-Q97 VanDerWaalsContact O-NE2 3.09Å
92M86.6Confident88.3Confident146 Ų14647.1 Ų47.172%0.71924%0.241SC*.Hα-helixtrans-75.3-22.1-176.8-67.5-60.2-62.400113.9I88 M89 V90I88-M92 HydrophobicContact CG2-CG 4.23Å; I88-M92 VanDerWaalsContact O-CG 3.24Å; I88-M92 WeakPolarHBondContact O-CG 3.33Å; I88-M92 PolarHBondContact O-N 3.17Å; M89-M92 PolarHBondContact O-N 3.44Å; V90-M92 VanDerWaalsContact C-N 3.34Å
93L87.1Confident88.3Confident15 Ų1547 Ų478%0.07924%0.243CC..  trans-112.891-177.8-70165.5000109.6M89 I91 E95 I96 A158 L162M89-L93 HydrophobicContact CG-CD1 3.85Å; M89-L93 WeakPolarHBondContact O-CB 3.48Å; M89-L93 PolarHBondContact O-N 2.89Å; M89-L93 VanDerWaalsContact O-N 3.14Å; I91-L93 VanDerWaalsContact C-N 3.35Å; L93-E95 PolarHBondContact O-N 3.49Å; L93-I96 HydrophobicContact CB-CD1 3.8Å; L93-I96 HydrophobicContact CB-CG1 3.63Å; L93-I96 HydrophobicContact CD1-CD1 3.82Å; L93-I96 HydrophobicContact CG-CD1 4.48Å; L93-I96 WeakPolarHBondContact O-CG1 3.49Å; L93-I96 PolarHBondContact O-N 3.4Å; L93-A158 HydrophobicContact CD1-CB 3.85Å; L93-L162 HydrophobicContact CD1-CD1 4.27Å; L93-L162 HydrophobicContact CD1-CD2 4.06Å; L93-L162 HydrophobicContact CD1-CG 4.01Å; L93-L162 HydrophobicContact CD2-CD2 4.21Å; L93-L162 HydrophobicContact CD2-CG 4.45Å; L93-L162 HydrophobicContact CG-CD2 4.49Å
94E84.6Confident88.3Confident133 Ų13348.8 Ų48.862%0.62126%0.256SS*.Hα-helixtrans-60.6-30.4-178.4-66.8-176.517900112.3I96 Q97E94-I96 VanDerWaalsContact C-N 3.27Å; E94-I96 PolarHBondContact O-N 2.98Å; E94-Q97 WeakPolarHBondContact O-CB 3.37Å; E94-Q97 PolarHBondContact O-N 3.3Å
95E85Confident88.3Confident101 Ų10147.9 Ų47.947%0.47225%0.251SS..Hα-helixtrans-65.2-28.9-178.4-58.383.6175.300113L93 Y161L93-E95 PolarHBondContact O-N 3.49Å; E95-Y161 HydrophobicContact CB-CD1 3.83Å; E95-Y161 HydrophobicContact CB-CE1 3.5Å; E95-Y161 HydrophobicContact CB-CE2 4.45Å; E95-Y161 HydrophobicContact CB-CG 4.44Å; E95-Y161 HydrophobicContact CG-CD1 3.87Å; E95-Y161 HydrophobicContact CG-CE1 3.75Å
96I87.3Confident88.4Confident2 Ų244.4 Ų44.41%0.0123%0.233CC..Hα-helixtrans-89.9-17.9178.867.3174.2000112.8M89 V90 L93 E94 S98 K99 V102 I154 A158 Y161M89-I96 HydrophobicContact CE-CD1 4.25Å; V90-I96 HydrophobicContact CB-CD1 4.45Å; V90-I96 HydrophobicContact CG2-CD1 3.98Å; L93-I96 HydrophobicContact CB-CD1 3.8Å; L93-I96 HydrophobicContact CB-CG1 3.63Å; L93-I96 HydrophobicContact CD1-CD1 3.82Å; L93-I96 HydrophobicContact CG-CD1 4.48Å; L93-I96 WeakPolarHBondContact O-CG1 3.49Å; L93-I96 PolarHBondContact O-N 3.4Å; E94-I96 VanDerWaalsContact C-N 3.27Å; E94-I96 PolarHBondContact O-N 2.98Å; I96-S98 VanDerWaalsContact C-N 3.25Å; I96-S98 PolarHBondContact O-N 2.94Å; I96-K99 HydrophobicContact CB-CG 4.41Å; I96-K99 VanDerWaalsContact O-CB 3.25Å; I96-K99 WeakPolarHBondContact O-CB 3.41Å; I96-K99 WeakPolarHBondContact O-CG 3.48Å; I96-K99 PolarHBondContact O-N 3.33Å; I96-V102 WeakPolarHBondContact O-CG2 3.36Å; I96-I154 HydrophobicContact CD1-CG2 4.32Å; I96-A158 HydrophobicContact CD1-CB 4.04Å; I96-A158 HydrophobicContact CG2-CB 4.41Å; I96-Y161 HydrophobicContact CG2-CD2 3.94Å; I96-Y161 HydrophobicContact CG2-CE2 3.89Å
97Q87Confident88.4Confident13 Ų1347.9 Ų47.96%0.06125%0.248CC..Hα-helixtrans-60.5-34.7-176.8-68.9175.310.500113F43 V90 I91 E94 K99F43-Q97 HydrophobicContact CB-CB 4.18Å; F43-Q97 HydrophobicContact CD1-CB 3.8Å; F43-Q97 VanDerWaalsContact CD1-CD 3.43Å; F43-Q97 HydrophobicContact CD1-CG 3.68Å; F43-Q97 HydrophobicContact CD2-CG 4.35Å; F43-Q97 HydrophobicContact CE1-CB 4.32Å; F43-Q97 HydrophobicContact CE1-CG 3.66Å; F43-Q97 HydrophobicContact CE2-CG 4.33Å; F43-Q97 HydrophobicContact CG-CB 3.91Å; F43-Q97 HydrophobicContact CG-CG 4.02Å; F43-Q97 HydrophobicContact CZ-CG 3.99Å; V90-Q97 HydrophobicContact CG1-CG 3.98Å; V90-Q97 WeakPolarHBondContact O-CG 3.41Å; V90-Q97 PolarHBondContact O-NE2 3.48Å; I91-Q97 PolarHBondContact O-NE2 3.01Å; I91-Q97 VanDerWaalsContact O-NE2 3.09Å; E94-Q97 WeakPolarHBondContact O-CB 3.37Å; E94-Q97 PolarHBondContact O-N 3.3Å; Q97-K99 VanDerWaalsContact C-N 3.29Å; Q97-K99 PolarHBondContact O-N 2.98Å
98S83.6Confident88.5Confident58 Ų5848.1 Ų48.141%0.40625%0.25SC..THydrogen-bonded Turntrans-82.3-4.2179.262.20000113.7I96I96-S98 VanDerWaalsContact C-N 3.25Å; I96-S98 PolarHBondContact O-N 2.94Å
99K87.9Confident88.7Confident68 Ų6843.6 Ų43.630%0.29623%0.226SC..SBendtrans-73141.3-176.9-64-73.1-173.1173.80111.1I96 Q97 V101 V102 C103 E157I96-K99 HydrophobicContact CB-CG 4.41Å; I96-K99 VanDerWaalsContact O-CB 3.25Å; I96-K99 WeakPolarHBondContact O-CB 3.41Å; I96-K99 WeakPolarHBondContact O-CG 3.48Å; I96-K99 PolarHBondContact O-N 3.33Å; Q97-K99 VanDerWaalsContact C-N 3.29Å; Q97-K99 PolarHBondContact O-N 2.98Å; K99-V101 HydrophobicContact CB-CG2 3.83Å; K99-V101 PolarHBondContact O-N 3Å; K99-V101 VanDerWaalsContact O-N 3.16Å; K99-V102 PolarHBondContact O-N 3.16Å; K99-V102 VanDerWaalsContact O-N 3.11Å; K99-C103 PolarHBondContact O-N 3.46Å; K99-E157 WeakPolarHBondContact CD-OE2 3.43Å
100P86.8Confident88.9Confident68 Ų6841.9 Ų41.944%0.44222%0.217SC..Hα-helixtrans-60.7-30.8-179.825.6-35000112.3L39 V102 C103 V104L39-P100 HydrophobicContact CD1-CB 4.15Å; P100-V102 VanDerWaalsContact C-N 3.32Å; P100-V102 PolarHBondContact O-N 3.32Å; P100-C103 WeakPolarHBondContact O-CB 3.24Å; P100-C103 PolarHBondContact O-N 3.31Å; P100-V104 WeakPolarHBondContact O-CG2 3.48Å; P100-V104 PolarHBondContact O-N 3.41Å
101V90Very high89.1Confident22 Ų2243.6 Ų43.613%0.13323%0.226CC..Hα-helixtrans-62-37.3178.4-670000112.6K99 V104 Q105 V153 I154K99-V101 HydrophobicContact CB-CG2 3.83Å; K99-V101 PolarHBondContact O-N 3Å; K99-V101 VanDerWaalsContact O-N 3.16Å; V101-V104 PolarHBondContact O-N 3.47Å; V101-Q105 WeakPolarHBondContact O-CB 3.07Å; V101-Q105 PolarHBondContact O-N 3.01Å; V101-V153 HydrophobicContact CG1-CG1 3.93Å; V101-I154 HydrophobicContact CB-CG1 3.97Å; V101-I154 HydrophobicContact CG2-CG1 3.8Å
102V90Very high89.3Confident2 Ų240.6 Ų40.61%0.01221%0.211CC..Hα-helixtrans-67.7-43176.3174.10000110.4F43 V90 I96 K99 P100 V104 Q105 F106 I154F43-V102 HydrophobicContact CD2-CG1 4.39Å; V90-V102 HydrophobicContact CG1-CG1 3.72Å; V90-V102 HydrophobicContact CG1-CG2 4.34Å; V90-V102 HydrophobicContact CG2-CG1 4.49Å; V90-V102 HydrophobicContact CG2-CG2 4.21Å; I96-V102 WeakPolarHBondContact O-CG2 3.36Å; K99-V102 PolarHBondContact O-N 3.16Å; K99-V102 VanDerWaalsContact O-N 3.11Å; P100-V102 VanDerWaalsContact C-N 3.32Å; P100-V102 PolarHBondContact O-N 3.32Å; V102-V104 PolarHBondContact O-N 3Å; V102-Q105 PolarHBondContact O-N 3.38Å; V102-F106 HydrophobicContact CG1-CD1 4.16Å; V102-F106 HydrophobicContact CG1-CE1 4Å; V102-F106 WeakPolarHBondContact O-CD1 3.42Å; V102-F106 PolarHBondContact O-N 3.37Å; V102-I154 HydrophobicContact CG2-CD1 4.25Å; V102-I154 HydrophobicContact CG2-CG1 4.29Å; V102-I154 HydrophobicContact CG2-CG2 4.31Å
103C87.9Confident89.5Confident17 Ų1733.8 Ų33.812%0.11518%0.177CC..Hα-helixtrans-60.3-45.6175.5-177.40000111.8L39 K99 P100 Q105 F106 F107L39-C103 HydrophobicContact CD2-CB 3.97Å; L39-C103 WeakPolarHBondContact CD2-SG 3.28Å; K99-C103 PolarHBondContact O-N 3.46Å; P100-C103 WeakPolarHBondContact O-CB 3.24Å; P100-C103 PolarHBondContact O-N 3.31Å; C103-Q105 VanDerWaalsContact C-N 3.33Å; C103-Q105 PolarHBondContact O-N 3Å; C103-F106 PolarHBondContact O-N 3.46Å; C103-F107 PolarHBondContact O-N 2.86Å
104V90.3Very high89.7Confident66 Ų6635.4 Ų35.440%0.419%0.186SC..Hα-helixtrans-61.3-42.7176.6172.20000110.9P100 V101 V102 F106 F107 L108 I150P100-V104 WeakPolarHBondContact O-CG2 3.48Å; P100-V104 PolarHBondContact O-N 3.41Å; V101-V104 PolarHBondContact O-N 3.47Å; V102-V104 PolarHBondContact O-N 3Å; V104-F106 PolarHBondContact O-N 3.41Å; V104-F107 WeakPolarHBondContact O-CB 3.45Å; V104-F107 PolarHBondContact O-N 3.17Å; V104-L108 HydrophobicContact CG1-CD1 4.04Å; V104-L108 HydrophobicContact CG1-CG 4.38Å; V104-L108 WeakPolarHBondContact O-CG 3.09Å; V104-L108 PolarHBondContact O-N 3.05Å; V104-I150 HydrophobicContact CG1-CD1 4.44Å; V104-I150 HydrophobicContact CG1-CG1 4.3Å
105Q92.6Very high90Very high1 Ų130.7 Ų30.71%0.00517%0.165CC..Hα-helixtrans-62.9-42.7178-175.766.9-19.200112.2L86 V101 V102 C103 F107 L108 W109 S147 I150 I154L86-Q105 HydrophobicContact CD2-CG 3.96Å; V101-Q105 WeakPolarHBondContact O-CB 3.07Å; V101-Q105 PolarHBondContact O-N 3.01Å; V102-Q105 PolarHBondContact O-N 3.38Å; C103-Q105 VanDerWaalsContact C-N 3.33Å; C103-Q105 PolarHBondContact O-N 3Å; Q105-F107 VanDerWaalsContact C-N 3.3Å; Q105-F107 PolarHBondContact O-N 3.47Å; Q105-L108 PolarHBondContact O-N 3.07Å; Q105-W109 HydrophobicContact CG-CD2 4.01Å; Q105-W109 HydrophobicContact CG-CE3 4.26Å; Q105-W109 HydrophobicContact CG-CH2 4.36Å; Q105-W109 HydrophobicContact CG-CZ2 4Å; Q105-W109 HydrophobicContact CG-CZ3 4.44Å; Q105-W109 WeakPolarHBondContact O-CB 3.34Å; Q105-W109 PolarHBondContact O-N 2.96Å; Q105-S147 PolarHBondContact NE2-O 3.26Å; Q105-S147 PolarHBondContact NE2-OG 3.33Å; Q105-S147 PolarHBondContact OE1-O 3.34Å; Q105-S147 VanDerWaalsContact OE1-O 3.11Å; Q105-S147 PolarHBondContact OE1-OG 3.02Å; Q105-I150 HydrophobicContact CB-CG2 3.88Å; Q105-I154 HydrophobicContact CB-CD1 3.53Å; Q105-I154 HydrophobicContact CG-CD1 3.8Å
106F91.3Very high90.3Very high3 Ų326.8 Ų26.81%0.01315%0.146CC..Hα-helixtrans-62-41.6176.2-84.736.3000110.7F43 V46 M50 L87 V102 C103 V104 W109 N110F43-F106 AromaticContact CD2-CE2 3.74Å; F43-F106 HydrophobicContact CD2-CE2 3.74Å; F43-F106 AromaticContact CD2-CZ 3.68Å; F43-F106 HydrophobicContact CD2-CZ 3.68Å; F43-F106 HydrophobicContact CE2-CE2 4.06Å; F43-F106 AromaticContact CE2-CZ 3.68Å; F43-F106 HydrophobicContact CE2-CZ 3.68Å; V46-F106 HydrophobicContact CG2-CD2 4.29Å; M50-F106 HydrophobicContact CB-CD2 4.35Å; M50-F106 HydrophobicContact CB-CE2 4.03Å; M50-F106 HydrophobicContact CG-CD2 3.96Å; M50-F106 HydrophobicContact CG-CE2 3.78Å; M50-F106 HydrophobicContact CG-CZ 4.22Å; L87-F106 HydrophobicContact CD1-CE1 4.32Å; L87-F106 HydrophobicContact CD1-CZ 3.73Å; V102-F106 HydrophobicContact CG1-CD1 4.16Å; V102-F106 HydrophobicContact CG1-CE1 4Å; V102-F106 WeakPolarHBondContact O-CD1 3.42Å; V102-F106 PolarHBondContact O-N 3.37Å; C103-F106 PolarHBondContact O-N 3.46Å; V104-F106 PolarHBondContact O-N 3.41Å; F106-W109 AromaticContact CD1-CE3 3.94Å; F106-W109 HydrophobicContact CD1-CE3 3.94Å; F106-W109 HydrophobicContact CD1-CZ3 4.01Å; F106-W109 HydrophobicContact CE1-CE3 4.16Å; F106-W109 AromaticContact CE1-CZ3 3.78Å; F106-W109 HydrophobicContact CE1-CZ3 3.78Å; F106-W109 PolarHBondContact O-N 3.45Å; F106-N110 PolarHBondContact O-N 3.34Å; F106-N110 PolarHBondContact O-ND2 3.42Å
107F90.8Very high90.5Very high76 Ų7626.7 Ų26.733%0.33315%0.145SC..Hα-helixtrans-61.2-47.6175.6-167.8-101.2000112.1L24 I28 C103 V104 Q105 N110 I111L24-F107 HydrophobicContact CD1-CD2 3.5Å; L24-F107 HydrophobicContact CD1-CE2 3.34Å; L24-F107 HydrophobicContact CD1-CG 4.27Å; L24-F107 HydrophobicContact CD1-CZ 4.01Å; L24-F107 HydrophobicContact CG-CE2 4.4Å; I28-F107 HydrophobicContact CD1-CE2 4.46Å; I28-F107 HydrophobicContact CG1-CE2 3.99Å; C103-F107 PolarHBondContact O-N 2.86Å; V104-F107 WeakPolarHBondContact O-CB 3.45Å; V104-F107 PolarHBondContact O-N 3.17Å; Q105-F107 VanDerWaalsContact C-N 3.3Å; Q105-F107 PolarHBondContact O-N 3.47Å; F107-N110 PolarHBondContact O-N 2.94Å; F107-I111 HydrophobicContact CD1-CD1 3.6Å; F107-I111 HydrophobicContact CD1-CG1 4.45Å; F107-I111 HydrophobicContact CE1-CD1 3.23Å; F107-I111 HydrophobicContact CE1-CG1 4.28Å; F107-I111 HydrophobicContact CG-CD1 4.5Å; F107-I111 HydrophobicContact CZ-CD1 3.84Å; F107-I111 WeakPolarHBondContact O-CG1 3.43Å; F107-I111 PolarHBondContact O-N 3.48Å
108L92.9Very high90.6Very high11 Ų1127.4 Ų27.46%0.05815%0.151CC..Hα-helixtrans-61.5-45.7178.1-70.9172.9000112.3V104 Q105 N110 I111 L112 L143 L146 I150V104-L108 HydrophobicContact CG1-CD1 4.04Å; V104-L108 HydrophobicContact CG1-CG 4.38Å; V104-L108 WeakPolarHBondContact O-CG 3.09Å; V104-L108 PolarHBondContact O-N 3.05Å; Q105-L108 PolarHBondContact O-N 3.07Å; L108-N110 VanDerWaalsContact C-N 3.34Å; L108-N110 PolarHBondContact O-N 3.38Å; L108-I111 PolarHBondContact O-N 2.93Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 WeakPolarHBondContact O-CG 3.3Å; L108-L112 PolarHBondContact O-N 3.42Å; L108-L143 HydrophobicContact CD2-CD2 4.15Å; L108-L146 HydrophobicContact CD1-CD2 4.24Å; L108-L146 HydrophobicContact CD1-CG 3.93Å; L108-L146 HydrophobicContact CD2-CD2 3.9Å; L108-L146 HydrophobicContact CD2-CG 4.4Å; L108-I150 HydrophobicContact CD1-CB 4.49Å; L108-I150 HydrophobicContact CD1-CG1 3.98Å
109W93.8Very high90.8Very high4 Ų425.5 Ų25.52%0.01514%0.136CC..Hα-helixtrans-57.9-46.1176.1-76.6-11.9000112.1M50 K83 L86 Q105 F106 I111 L112 D113 S147M50-W109 HydrophobicContact CE-CB 3.6Å; M50-W109 HydrophobicContact CE-CD2 4.08Å; M50-W109 HydrophobicContact CE-CE3 3.42Å; M50-W109 VanDerWaalsContact CE-CE3 3.42Å; M50-W109 HydrophobicContact CE-CG 4.24Å; M50-W109 HydrophobicContact CE-CZ3 4.31Å; K83-W109 HydrophobicContact CB-CH2 4.45Å; K83-W109 HydrophobicContact CB-CZ2 4.04Å; K83-W109 VanDerWaalsContact CE-CD1 3.42Å; K83-W109 VanDerWaalsContact CE-CG 3.42Å; K83-W109 HydrophobicContact CG-CZ2 3.91Å; K83-W109 WeakPolarHBondContact O-CH2 3.31Å; L86-W109 HydrophobicContact CB-CH2 4Å; L86-W109 HydrophobicContact CB-CZ2 4.22Å; L86-W109 HydrophobicContact CD2-CH2 3.51Å; L86-W109 HydrophobicContact CD2-CZ2 3.41Å; L86-W109 VanDerWaalsContact CD2-CZ2 3.41Å; L86-W109 HydrophobicContact CG-CH2 4.1Å; L86-W109 HydrophobicContact CG-CZ2 4.34Å; Q105-W109 HydrophobicContact CG-CD2 4.01Å; Q105-W109 HydrophobicContact CG-CE3 4.26Å; Q105-W109 HydrophobicContact CG-CH2 4.36Å; Q105-W109 HydrophobicContact CG-CZ2 4Å; Q105-W109 HydrophobicContact CG-CZ3 4.44Å; Q105-W109 WeakPolarHBondContact O-CB 3.34Å; Q105-W109 PolarHBondContact O-N 2.96Å; F106-W109 AromaticContact CD1-CE3 3.94Å; F106-W109 HydrophobicContact CD1-CE3 3.94Å; F106-W109 HydrophobicContact CD1-CZ3 4.01Å; F106-W109 HydrophobicContact CE1-CE3 4.16Å; F106-W109 AromaticContact CE1-CZ3 3.78Å; F106-W109 HydrophobicContact CE1-CZ3 3.78Å; F106-W109 PolarHBondContact O-N 3.45Å; W109-I111 PolarHBondContact O-N 2.83Å; W109-L112 PolarHBondContact O-N 3.04Å; W109-D113 WeakPolarHBondContact O-CB 3.37Å; W109-D113 PolarHBondContact O-N 3.26Å; W109-S147 VanDerWaalsContact CD1-OG 3.26Å; W109-S147 PolarHBondContact NE1-OG 3.2Å
110N93.8Very high90.8Very high0 Ų023.3 Ų23.30%013%0.127CC..Hα-helixtrans-66.1-37.2179.4-78.5-77.3000112.4H20 I23 L24 M50 F106 F107 L108 L114H20-N110 WeakPolarHBondContact CA-OD1 3.45Å; H20-N110 PolarHBondContact ND1-OD1 3.44Å; H20-N110 PolarHBondContact O-OD1 2.88Å; I23-N110 WeakPolarHBondContact CB-OD1 3.46Å; I23-N110 WeakPolarHBondContact CD1-OD1 3.28Å; I23-N110 VanDerWaalsContact CG2-ND2 3.27Å; I23-N110 WeakPolarHBondContact CG2-ND2 3.24Å; L24-N110 HydrophobicContact CB-CB 4.4Å; L24-N110 HydrophobicContact CD1-CB 4.22Å; M50-N110 PolarHBondContact SD-ND2 3.48Å; F106-N110 PolarHBondContact O-N 3.34Å; F106-N110 PolarHBondContact O-ND2 3.42Å; F107-N110 PolarHBondContact O-N 2.94Å; L108-N110 VanDerWaalsContact C-N 3.34Å; L108-N110 PolarHBondContact O-N 3.38Å; N110-L114 WeakPolarHBondContact O-CB 3.22Å; N110-L114 PolarHBondContact O-N 2.96Å
111I92.9Very high91Very high39 Ų3921 Ų2120%0.211%0.111CC..Hα-helixtrans-64.6-46.4173.2-68.9175.4000111L24 F107 L108 W109 D113 L114 L115 L143L24-I111 HydrophobicContact CD1-CG1 4.05Å; L24-I111 HydrophobicContact CD2-CG1 4.27Å; F107-I111 HydrophobicContact CD1-CD1 3.6Å; F107-I111 HydrophobicContact CD1-CG1 4.45Å; F107-I111 HydrophobicContact CE1-CD1 3.23Å; F107-I111 HydrophobicContact CE1-CG1 4.28Å; F107-I111 HydrophobicContact CG-CD1 4.5Å; F107-I111 HydrophobicContact CZ-CD1 3.84Å; F107-I111 WeakPolarHBondContact O-CG1 3.43Å; F107-I111 PolarHBondContact O-N 3.48Å; L108-I111 PolarHBondContact O-N 2.93Å; W109-I111 PolarHBondContact O-N 2.83Å; I111-D113 VanDerWaalsContact C-N 3.27Å; I111-D113 PolarHBondContact O-N 3.48Å; I111-L114 PolarHBondContact O-N 3.09Å; I111-L115 WeakPolarHBondContact O-CG 3.27Å; I111-L115 PolarHBondContact O-N 3.38Å; I111-L143 HydrophobicContact CG2-CD1 3.69Å
112L92.8Very high90.9Very high7 Ų722.4 Ų22.44%0.03712%0.117CC..Hα-helixtrans-58.3-42.3179.3-75.6167.6000111.6L108 W109 L115 R116 W140 L143L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 WeakPolarHBondContact O-CG 3.3Å; L108-L112 PolarHBondContact O-N 3.42Å; W109-L112 PolarHBondContact O-N 3.04Å; L112-L115 PolarHBondContact O-N 2.98Å; L112-R116 WeakPolarHBondContact O-CB 3.45Å; L112-R116 PolarHBondContact O-N 2.99Å; L112-W140 HydrophobicContact CD2-CD2 3.98Å; L112-W140 HydrophobicContact CD2-CG 3.83Å; L112-L143 HydrophobicContact CD2-CB 3.62Å; L112-L143 HydrophobicContact CG-CB 4.23Å
113D92.3Very high90.7Very high3 Ų324.7 Ų24.72%0.01613%0.132CC..Hα-helixtrans-71.6-37.2177.4-78.6-43.9000112.3H20 K83 W109 I111 L115 R116 Y117H20-D113 HydrophobicContact CB-CB 4.34Å; H20-D113 IonicContact CE1-OD2 2.68Å; H20-D113 PolarHBondContact CE1-OD2 3.46Å; H20-D113 VanDerWaalsContact CE1-OD2 3.23Å; H20-D113 IonicContact ND1-OD2 3.61Å; H20-D113 IonicContact NE2-OD2 3.23Å; K83-D113 IonicContact NZ-OD1 3.86Å; K83-D113 IonicContact NZ-OD2 3.1Å; K83-D113 PolarHBondContact NZ-OD2 2.86Å; W109-D113 WeakPolarHBondContact O-CB 3.37Å; W109-D113 PolarHBondContact O-N 3.26Å; I111-D113 VanDerWaalsContact C-N 3.27Å; I111-D113 PolarHBondContact O-N 3.48Å; D113-L115 PolarHBondContact O-N 3.32Å; D113-R116 PolarHBondContact O-N 2.78Å; D113-R116 IonicContact OD1-CZ 3.83Å; D113-R116 IonicContact OD1-NE 3.35Å; D113-R116 PolarHBondContact OD1-NE 2.74Å; D113-R116 VanDerWaalsContact OD1-NE 3.1Å; D113-R116 IonicContact OD1-NH2 3.52Å; D113-R116 PolarHBondContact OD1-NH2 3.05Å; D113-Y117 HydrophobicContact CB-CD2 3.95Å; D113-Y117 HydrophobicContact CB-CE2 3.67Å; D113-Y117 WeakPolarHBondContact O-CD2 3.31Å; D113-Y117 PolarHBondContact O-N 3.48Å
114L91.3Very high90.6Very high49 Ų4925.1 Ų25.126%0.25713%0.134SC..Hα-helixtrans-63.4-29173.7-167.373.8000112.8F17 T21 L24 N110 I111 P118F17-L114 HydrophobicContact CD2-CD1 3.88Å; F17-L114 HydrophobicContact CE2-CD1 3.37Å; F17-L114 HydrophobicContact CE2-CG 4.31Å; F17-L114 HydrophobicContact CZ-CD1 4.19Å; T21-L114 WeakPolarHBondContact OG1-CD1 3.44Å; L24-L114 HydrophobicContact CD2-CD2 3.77Å; N110-L114 WeakPolarHBondContact O-CB 3.22Å; N110-L114 PolarHBondContact O-N 2.96Å; I111-L114 PolarHBondContact O-N 3.09Å; L114-P118 WeakPolarHBondContact O-CD 3.48Å; L114-P118 WeakPolarHBondContact O-CG 3.42Å
115L89.9Confident90.4Very high34 Ų3426.5 Ų26.518%0.17814%0.138CC..Hα-helixtrans-78.4-29.7172.5-66.1-176.3000112.5I111 L112 D113 S135 L139 L143I111-L115 WeakPolarHBondContact O-CG 3.27Å; I111-L115 PolarHBondContact O-N 3.38Å; L112-L115 PolarHBondContact O-N 2.98Å; D113-L115 PolarHBondContact O-N 3.32Å; L115-S135 VanDerWaalsContact CD2-OG 3.31Å; L115-S135 WeakPolarHBondContact CD2-OG 3.35Å; L115-L139 HydrophobicContact CD1-CB 4.1Å; L115-L143 HydrophobicContact CD1-CD1 3.99Å
116R90.4Very high90Very high19 Ų1934.6 Ų34.67%0.07218%0.176CC..Hα-helixtrans-81.4-54.8-174.3-179.3176.168.2119.9-10.4112.4E60 R76 L112 D113 H119 E120E60-R116 IonicContact OE1-CZ 3.82Å; E60-R116 IonicContact OE1-NH1 2.77Å; E60-R116 PolarHBondContact OE1-NH1 2.89Å; E60-R116 VanDerWaalsContact OE1-NH1 3.12Å; E60-R116 IonicContact OE1-NH2 2.77Å; E60-R116 PolarHBondContact OE1-NH2 2.71Å; E60-R116 IonicContact OE2-CZ 3.06Å; E60-R116 IonicContact OE2-NH1 2.81Å; E60-R116 PolarHBondContact OE2-NH1 3.44Å; E60-R116 IonicContact OE2-NH2 3.12Å; R76-R116 VanDerWaalsContact NH1-CZ 3.31Å; L112-R116 WeakPolarHBondContact O-CB 3.45Å; L112-R116 PolarHBondContact O-N 2.99Å; D113-R116 PolarHBondContact O-N 2.78Å; D113-R116 IonicContact OD1-CZ 3.83Å; D113-R116 IonicContact OD1-NE 3.35Å; D113-R116 PolarHBondContact OD1-NE 2.74Å; D113-R116 VanDerWaalsContact OD1-NE 3.1Å; D113-R116 IonicContact OD1-NH2 3.52Å; D113-R116 PolarHBondContact OD1-NH2 3.05Å; R116-H119 WeakPolarHBondContact O-CA 3.33Å; R116-H119 VanDerWaalsContact O-CB 3.3Å; R116-H119 WeakPolarHBondContact O-CB 3.49Å; R116-H119 PolarHBondContact O-N 2.94Å; R116-E120 HydrophobicContact CG-CG 4.28Å; R116-E120 PolarHBondContact O-N 3.2Å
117Y91.8Very high89.6Confident0 Ų043.1 Ų43.10%021%0.207CC..Hα-helixtrans-62.3-37-172.4-68.4-65.2000114.3Y12 N13 Q16 H20 S57 E60 D113 H119 E120 L121Y12-Y117 HydrophobicContact CE1-CE1 4.44Å; N13-Y117 HydrophobicContact CB-CD1 4.46Å; N13-Y117 WeakPolarHBondContact OD1-CD1 3.42Å; Q16-Y117 HydrophobicContact CB-CD1 3.77Å; Q16-Y117 HydrophobicContact CB-CD2 3.99Å; Q16-Y117 HydrophobicContact CB-CE1 3.39Å; Q16-Y117 HydrophobicContact CB-CE2 3.64Å; Q16-Y117 HydrophobicContact CB-CG 4.04Å; Q16-Y117 HydrophobicContact CG-CE1 3.72Å; Q16-Y117 HydrophobicContact CG-CE2 4.38Å; Q16-Y117 WeakPolarHBondContact CG-OH 3.48Å; Q16-Y117 PolarHBondContact NE2-OH 3.31Å; Q16-Y117 PolarHBondContact OE1-OH 3.49Å; H20-Y117 AromaticContact CD2-CD2 3.92Å; H20-Y117 AromaticContact CD2-CE2 3.35Å; H20-Y117 WeakPolarHBondContact CD2-CE2 3.33Å; H20-Y117 AromaticContact NE2-CE2 3.64Å; S57-Y117 PolarHBondContact OG-OH 3.49Å; E60-Y117 PolarHBondContact OE1-OH 2.9Å; D113-Y117 HydrophobicContact CB-CD2 3.95Å; D113-Y117 HydrophobicContact CB-CE2 3.67Å; D113-Y117 WeakPolarHBondContact O-CD2 3.31Å; D113-Y117 PolarHBondContact O-N 3.48Å; Y117-H119 VanDerWaalsContact C-N 3.32Å; Y117-H119 PolarHBondContact O-N 3.31Å; Y117-E120 PolarHBondContact O-N 2.99Å; Y117-L121 WeakPolarHBondContact O-CB 3.44Å; Y117-L121 WeakPolarHBondContact O-CG 3.15Å; Y117-L121 PolarHBondContact O-N 3Å
118P89.7Confident89.1Confident28 Ų2843.9 Ų43.918%0.18222%0.22CC..Hα-helixtrans-62.8-37.4171.5-27.538.9000113.2F17 L114 L122 M132F17-P118 HydrophobicContact CD2-CG 3.59Å; F17-P118 HydrophobicContact CE2-CG 3.41Å; F17-P118 VanDerWaalsContact CE2-CG 3.41Å; F17-P118 HydrophobicContact CZ-CG 4.35Å; L114-P118 WeakPolarHBondContact O-CD 3.48Å; L114-P118 WeakPolarHBondContact O-CG 3.42Å; P118-L122 WeakPolarHBondContact O-CB 3.17Å; P118-L122 VanDerWaalsContact O-CG 3.3Å; P118-L122 WeakPolarHBondContact O-CG 3.25Å; P118-L122 PolarHBondContact O-N 2.94Å; P118-M132 HydrophobicContact CB-SD 4.34Å
119H88.1Confident88.7Confident18 Ų1845.5 Ų45.58%0.08323%0.232CC..Hα-helixtrans-63-45.7174.1174.1-86.6000110.6R116 Y117 L122 C123 M132 R136R116-H119 WeakPolarHBondContact O-CA 3.33Å; R116-H119 VanDerWaalsContact O-CB 3.3Å; R116-H119 WeakPolarHBondContact O-CB 3.49Å; R116-H119 PolarHBondContact O-N 2.94Å; Y117-H119 VanDerWaalsContact C-N 3.32Å; Y117-H119 PolarHBondContact O-N 3.31Å; H119-L122 PolarHBondContact O-N 3.14Å; H119-C123 PolarHBondContact CE1-SG 3.45Å; H119-C123 WeakPolarHBondContact O-CB 3.2Å; H119-C123 PolarHBondContact O-N 2.96Å; H119-C123 PolarHBondContact O-SG 2.97Å; H119-M132 HydrophobicContact CB-CB 4.31Å; H119-R136 PolarHBondContact ND1-NH1 3.29Å
120E88.4Confident88Confident23 Ų2349.4 Ų49.411%0.10726%0.256CS..Hα-helixtrans-64.6-42.7177.9-58.9-47.1144.300112.3N13 R116 Y117 L122 C123 V124 R136N13-E120 WeakPolarHBondContact OD1-CB 3.29Å; R116-E120 HydrophobicContact CG-CG 4.28Å; R116-E120 PolarHBondContact O-N 3.2Å; Y117-E120 PolarHBondContact O-N 2.99Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 3.32Å; E120-C123 WeakPolarHBondContact O-CB 3.35Å; E120-C123 PolarHBondContact O-N 3.36Å; E120-C123 VanDerWaalsContact O-N 3.16Å; E120-V124 VanDerWaalsContact O-CG2 3.28Å; E120-V124 WeakPolarHBondContact O-CG2 3.35Å; E120-V124 PolarHBondContact O-N 3.44Å; E120-R136 IonicContact OE1-CZ 3.59Å; E120-R136 IonicContact OE1-NH1 3.63Å; E120-R136 PolarHBondContact OE1-NH1 3Å
121L90.6Very high87.4Confident20 Ų2052 Ų5211%0.10528%0.278CS..Hα-helixtrans-56.4-46.5173.6-76.1168.7000112F10 N13 L14 F17 Y117 C123 V124 M125F10-L121 HydrophobicContact CD2-CD2 3.72Å; F10-L121 HydrophobicContact CE2-CD2 3.74Å; F10-L121 HydrophobicContact CG-CD2 4.27Å; F10-L121 HydrophobicContact CZ-CD2 4.3Å; N13-L121 HydrophobicContact CB-CD2 3.69Å; N13-L121 HydrophobicContact CB-CG 3.88Å; L14-L121 HydrophobicContact CB-CD2 4.21Å; L14-L121 HydrophobicContact CD1-CD1 4.43Å; F17-L121 HydrophobicContact CB-CD1 4.33Å; Y117-L121 WeakPolarHBondContact O-CB 3.44Å; Y117-L121 WeakPolarHBondContact O-CG 3.15Å; Y117-L121 PolarHBondContact O-N 3Å; L121-C123 VanDerWaalsContact C-N 3.35Å; L121-C123 PolarHBondContact O-N 2.96Å; L121-V124 PolarHBondContact O-N 3.33Å; L121-M125 WeakPolarHBondContact O-CG 3.26Å; L121-M125 PolarHBondContact O-N 3.44Å
122L87.1Confident87Confident50 Ų5052.8 Ų52.826%0.26228%0.282SS..Hα-helixtrans-66.1-36.3177.6-73.6179.9000112.8P118 H119 E120 M125 E126 R127 M132P118-L122 WeakPolarHBondContact O-CB 3.17Å; P118-L122 VanDerWaalsContact O-CG 3.3Å; P118-L122 WeakPolarHBondContact O-CG 3.25Å; P118-L122 PolarHBondContact O-N 2.94Å; H119-L122 PolarHBondContact O-N 3.14Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 3.32Å; L122-M125 CarbonylContact O-C 3.59Å; L122-M125 PolarHBondContact O-N 3.3Å; L122-E126 PolarHBondContact O-N 2.88Å; L122-R127 CarbonylContact O-C 3.43Å; L122-R127 PolarHBondContact O-N 3.22Å; L122-M132 HydrophobicContact CD1-CB 4.33Å; L122-M132 HydrophobicContact CD1-CG 3.64Å
123C85.6Confident86.5Confident50 Ų5054.9 Ų54.934%0.33829%0.293SS..Hα-helixtrans-64.7-42.5174.4-750000111.7H119 E120 L121 M125 E126H119-C123 PolarHBondContact CE1-SG 3.45Å; H119-C123 WeakPolarHBondContact O-CB 3.2Å; H119-C123 PolarHBondContact O-N 2.96Å; H119-C123 PolarHBondContact O-SG 2.97Å; E120-C123 WeakPolarHBondContact O-CB 3.35Å; E120-C123 PolarHBondContact O-N 3.36Å; E120-C123 VanDerWaalsContact O-N 3.16Å; L121-C123 VanDerWaalsContact C-N 3.35Å; L121-C123 PolarHBondContact O-N 2.96Å; C123-M125 VanDerWaalsContact C-N 3.27Å; C123-M125 PolarHBondContact O-N 3.29Å; C123-E126 PolarHBondContact O-N 3.26Å
124V87Confident86.1Confident27 Ų2762 Ų6216%0.16432%0.32CS..Hα-helixtrans-64-34.1175.8173.80000111.6L6 I9 F10 E120 L121 E126L6-V124 HydrophobicContact CD2-CG1 4.29Å; L6-V124 HydrophobicContact CG-CG1 3.99Å; I9-V124 HydrophobicContact CG2-CG2 3.65Å; F10-V124 HydrophobicContact CB-CG1 4.11Å; F10-V124 HydrophobicContact CD2-CG1 4.4Å; E120-V124 VanDerWaalsContact O-CG2 3.28Å; E120-V124 WeakPolarHBondContact O-CG2 3.35Å; E120-V124 PolarHBondContact O-N 3.44Å; L121-V124 PolarHBondContact O-N 3.33Å; V124-E126 PolarHBondContact O-N 3.28Å
125M85.4Confident85.7Confident95 Ų9560 Ų6047%0.46831%0.31SS..THydrogen-bonded Turntrans-79.55.2174-66.4-178.874.300114F10 L121 L122 C123 R127F10-M125 HydrophobicContact CD2-CG 4.31Å; F10-M125 HydrophobicContact CE2-CG 4.01Å; F10-M125 HydrophobicContact CE2-SD 3.92Å; L121-M125 WeakPolarHBondContact O-CG 3.26Å; L121-M125 PolarHBondContact O-N 3.44Å; L122-M125 CarbonylContact O-C 3.59Å; L122-M125 PolarHBondContact O-N 3.3Å; C123-M125 VanDerWaalsContact C-N 3.27Å; C123-M125 PolarHBondContact O-N 3.29Å; M125-R127 PolarHBondContact O-N 3.21Å; M125-R127 VanDerWaalsContact O-N 3.14Å
126E83.8Confident85.4Confident171 Ų17161 Ų6180%0.79931%0.311SS*.THydrogen-bonded Turntrans55.826-175.9-56.4-174.9173.800113.9L122 C123 V124 P128L122-E126 PolarHBondContact O-N 2.88Å; C123-E126 PolarHBondContact O-N 3.26Å; V124-E126 PolarHBondContact O-N 3.28Å; E126-P128 WeakPolarHBondContact O-CD 3.31Å
127R84Confident85Confident181 Ų18160.9 Ų60.968%0.68331%0.31SS*.  trans-121.559.8179.4-68.3-178.1-175.7-173.71.5111.2L122 M125 S129L122-R127 CarbonylContact O-C 3.43Å; L122-R127 PolarHBondContact O-N 3.22Å; M125-R127 PolarHBondContact O-N 3.21Å; M125-R127 VanDerWaalsContact O-N 3.14Å; R127-S129 PolarHBondContact O-N 3.47Å; R127-S129 VanDerWaalsContact O-N 3.12Å
128P80.1Confident84.7Confident92 Ų9262.1 Ų62.160%0.59732%0.319SS*.  trans-61.3120.4-179.727.2-34.5000110.2E126E126-P128 WeakPolarHBondContact O-CD 3.31Å
129S83.6Confident84.6Confident45 Ų4564.5 Ų64.532%0.31533%0.33SS..  trans-86.7133.4178.6174.80000111.1R127 A131 M132 L133R127-S129 PolarHBondContact O-N 3.47Å; R127-S129 VanDerWaalsContact O-N 3.12Å; S129-A131 PolarHBondContact O-N 2.93Å; S129-A131 PolarHBondContact OG-N 3.44Å; S129-M132 PolarHBondContact O-N 2.89Å; S129-L133 PolarHBondContact O-N 3.47Å
130V80.3Confident84.7Confident86 Ų8664.5 Ų64.552%0.52133%0.329SS..Hα-helixtrans-60.1-35.1174.2179.50000111.2L133 W134V130-L133 PolarHBondContact O-N 2.84Å; V130-W134 WeakPolarHBondContact O-CB 3.47Å; V130-W134 PolarHBondContact O-N 3.07Å
131A81.3Confident84.7Confident56 Ų5664 Ų6446%0.46333%0.328SS..Hα-helixtrans-65.5-42.5177.800000111.5S129 W134 S135S129-A131 PolarHBondContact O-N 2.93Å; S129-A131 PolarHBondContact OG-N 3.44Å; A131-W134 PolarHBondContact O-N 2.89Å; A131-S135 PolarHBondContact O-N 3.19Å
132M83.1Confident84.7Confident55 Ų5566.4 Ų66.427%0.27134%0.344SS..Hα-helixtrans-69.8-38.1177.9-68.9-60100.900112P118 H119 L122 S129 W134 S135 R136P118-M132 HydrophobicContact CB-SD 4.34Å; H119-M132 HydrophobicContact CB-CB 4.31Å; L122-M132 HydrophobicContact CD1-CB 4.33Å; L122-M132 HydrophobicContact CD1-CG 3.64Å; S129-M132 PolarHBondContact O-N 2.89Å; M132-W134 VanDerWaalsContact C-N 3.31Å; M132-W134 PolarHBondContact O-N 2.67Å; M132-S135 PolarHBondContact O-N 3.38Å; M132-R136 WeakPolarHBondContact O-CB 3.49Å; M132-R136 PolarHBondContact O-N 2.99Å
133L82.6Confident85Confident51 Ų5166 Ų6627%0.26734%0.342SS..Hα-helixtrans-63.5-39173.6-163.871000111.7S129 V130 Y137S129-L133 PolarHBondContact O-N 3.47Å; V130-L133 PolarHBondContact O-N 2.84Å; L133-Y137 HydrophobicContact CD1-CD2 4.1Å; L133-Y137 HydrophobicContact CD1-CE2 3.46Å; L133-Y137 VanDerWaalsContact CD1-CE2 3.46Å; L133-Y137 HydrophobicContact CD2-CE2 4.47Å; L133-Y137 HydrophobicContact CG-CD2 3.95Å; L133-Y137 HydrophobicContact CG-CE2 3.75Å; L133-Y137 VanDerWaalsContact O-CD2 3.25Å; L133-Y137 WeakPolarHBondContact O-CD2 3.32Å; L133-Y137 PolarHBondContact O-N 3.26Å
134W83.9Confident85.2Confident153 Ų15364.4 Ų64.458%0.5833%0.329SS*.Hα-helixtrans-64.3-45.2174.918087.9000111.5V130 A131 M132 R136 Y137 S138 L139V130-W134 WeakPolarHBondContact O-CB 3.47Å; V130-W134 PolarHBondContact O-N 3.07Å; A131-W134 PolarHBondContact O-N 2.89Å; M132-W134 VanDerWaalsContact C-N 3.31Å; M132-W134 PolarHBondContact O-N 2.67Å; W134-R136 PolarHBondContact O-N 3.44Å; W134-Y137 PolarHBondContact O-N 3.01Å; W134-S138 PolarHBondContact NE1-OG 2.9Å; W134-S138 WeakPolarHBondContact O-CB 3.32Å; W134-S138 PolarHBondContact O-N 3.47Å; W134-S138 PolarHBondContact O-OG 3.49Å; W134-L139 HydrophobicContact CH2-CD1 4.44Å; W134-L139 HydrophobicContact CH2-CD2 4.34Å; W134-L139 HydrophobicContact CH2-CG 4.19Å; W134-L139 HydrophobicContact CZ3-CD1 3.79Å; W134-L139 HydrophobicContact CZ3-CD2 4.46Å; W134-L139 HydrophobicContact CZ3-CG 3.87Å
135S83.9Confident85.4Confident7 Ų766.9 Ų66.95%0.04934%0.34CS..Hα-helixtrans-58-47.1176.4-172.10000111.5L115 A131 M132 Y137 S138 L139 W140L115-S135 VanDerWaalsContact CD2-OG 3.31Å; L115-S135 WeakPolarHBondContact CD2-OG 3.35Å; A131-S135 PolarHBondContact O-N 3.19Å; M132-S135 PolarHBondContact O-N 3.38Å; S135-Y137 VanDerWaalsContact C-N 3.32Å; S135-Y137 PolarHBondContact O-N 3.46Å; S135-S138 PolarHBondContact O-N 3.41Å; S135-L139 WeakPolarHBondContact O-CB 3.34Å; S135-L139 PolarHBondContact O-N 2.86Å; S135-W140 PolarHBondContact O-N 2.96Å
136R83.1Confident85.8Confident54 Ų5466 Ų6620%0.20434%0.337CS..Hα-helixtrans-57.4-37.8177-174.9-178.4-178.5108.8-4.5113.7H119 E120 M132 W134 W140H119-R136 PolarHBondContact ND1-NH1 3.29Å; E120-R136 IonicContact OE1-CZ 3.59Å; E120-R136 IonicContact OE1-NH1 3.63Å; E120-R136 PolarHBondContact OE1-NH1 3Å; M132-R136 WeakPolarHBondContact O-CB 3.49Å; M132-R136 PolarHBondContact O-N 2.99Å; W134-R136 PolarHBondContact O-N 3.44Å; R136-W140 WeakPolarHBondContact O-CB 3.22Å
137Y82Confident86.2Confident16 Ų1658 Ų586%0.06330%0.3CS..Hα-helixtrans-101.5-9.1-175.7-66.6-54.8000114.8L133 W134 S135 I141 L191 E194 R195 H198L133-Y137 HydrophobicContact CD1-CD2 4.1Å; L133-Y137 HydrophobicContact CD1-CE2 3.46Å; L133-Y137 VanDerWaalsContact CD1-CE2 3.46Å; L133-Y137 HydrophobicContact CD2-CE2 4.47Å; L133-Y137 HydrophobicContact CG-CD2 3.95Å; L133-Y137 HydrophobicContact CG-CE2 3.75Å; L133-Y137 VanDerWaalsContact O-CD2 3.25Å; L133-Y137 WeakPolarHBondContact O-CD2 3.32Å; L133-Y137 PolarHBondContact O-N 3.26Å; W134-Y137 PolarHBondContact O-N 3.01Å; S135-Y137 VanDerWaalsContact C-N 3.32Å; S135-Y137 PolarHBondContact O-N 3.46Å; Y137-I141 VanDerWaalsContact O-CD1 3.26Å; Y137-I141 WeakPolarHBondContact O-CD1 3.45Å; Y137-L191 HydrophobicContact CE1-CD2 4.25Å; Y137-E194 HydrophobicContact CE1-CB 3.85Å; Y137-R195 HydrophobicContact CD1-CB 3.83Å; Y137-R195 HydrophobicContact CD2-CB 4.37Å; Y137-R195 HydrophobicContact CE1-CB 4.41Å; Y137-R195 HydrophobicContact CG-CB 3.83Å; Y137-R195 HydrophobicContact CG-CG 4.08Å; Y137-R195 PolarHBondContact O-NH1 3Å; Y137-H198 AromaticContact CE2-CD2 3.73Å; Y137-H198 AromaticContact CZ-CD2 3.79Å; Y137-H198 PolarHBondContact OH-CD2 3.44Å; Y137-H198 VanDerWaalsContact OH-CD2 3.25Å; Y137-H198 PolarHBondContact OH-NE2 3.21Å
138S84.5Confident86.6Confident27 Ų2750.6 Ų50.619%0.18928%0.275CS..Hα-helixtrans-116.4-43.1-175.9-45.10000112.6W134 S135 P142W134-S138 PolarHBondContact NE1-OG 2.9Å; W134-S138 WeakPolarHBondContact O-CB 3.32Å; W134-S138 PolarHBondContact O-N 3.47Å; W134-S138 PolarHBondContact O-OG 3.49Å; S135-S138 PolarHBondContact O-N 3.41Å; S138-P142 WeakPolarHBondContact O-CD 3.4Å; S138-P142 WeakPolarHBondContact O-CG 3.36Å
139L88.1Confident87.1Confident77 Ų7751 Ų5140%0.40327%0.271SS..THydrogen-bonded Turntrans-93.3-38.7-179.7-65.9178.5000112.2L115 W134 S135 I141 P142 L143L115-L139 HydrophobicContact CD1-CB 4.1Å; W134-L139 HydrophobicContact CH2-CD1 4.44Å; W134-L139 HydrophobicContact CH2-CD2 4.34Å; W134-L139 HydrophobicContact CH2-CG 4.19Å; W134-L139 HydrophobicContact CZ3-CD1 3.79Å; W134-L139 HydrophobicContact CZ3-CD2 4.46Å; W134-L139 HydrophobicContact CZ3-CG 3.87Å; S135-L139 WeakPolarHBondContact O-CB 3.34Å; S135-L139 PolarHBondContact O-N 2.86Å; L139-I141 PolarHBondContact O-N 2.95Å; L139-P142 VanDerWaalsContact O-CD 3.27Å; L139-P142 WeakPolarHBondContact O-CD 3.38Å; L139-P142 VanDerWaalsContact O-CG 3.3Å; L139-P142 WeakPolarHBondContact O-CG 3.23Å; L139-L143 WeakPolarHBondContact O-CD1 3.24Å; L139-L143 VanDerWaalsContact O-CG 3.28Å; L139-L143 WeakPolarHBondContact O-CG 3.22Å; L139-L143 PolarHBondContact O-N 2.98Å
140W89.7Confident87.5Confident19 Ų1950.3 Ų50.37%0.07226%0.263CS..Hα-helixtrans-65.5-40.9-176.8-167.595.6000112.8L112 S135 R136 L143 Y144 T187 L191L112-W140 HydrophobicContact CD2-CD2 3.98Å; L112-W140 HydrophobicContact CD2-CG 3.83Å; S135-W140 PolarHBondContact O-N 2.96Å; R136-W140 WeakPolarHBondContact O-CB 3.22Å; W140-L143 PolarHBondContact O-N 3.16Å; W140-Y144 HydrophobicContact CE3-CG 4.39Å; W140-Y144 HydrophobicContact CH2-CD1 4.39Å; W140-Y144 AromaticContact CH2-CD2 3.41Å; W140-Y144 HydrophobicContact CH2-CD2 3.41Å; W140-Y144 VanDerWaalsContact CH2-CD2 3.41Å; W140-Y144 AromaticContact CH2-CE2 3.96Å; W140-Y144 HydrophobicContact CH2-CE2 3.96Å; W140-Y144 AromaticContact CH2-CG 3.65Å; W140-Y144 HydrophobicContact CH2-CG 3.65Å; W140-Y144 HydrophobicContact CZ2-CD2 4.02Å; W140-Y144 HydrophobicContact CZ3-CD1 4.13Å; W140-Y144 AromaticContact CZ3-CD2 3.85Å; W140-Y144 HydrophobicContact CZ3-CD2 3.85Å; W140-Y144 AromaticContact CZ3-CG 3.55Å; W140-Y144 HydrophobicContact CZ3-CG 3.55Å; W140-Y144 WeakPolarHBondContact O-CB 3.44Å; W140-Y144 PolarHBondContact O-N 2.9Å; W140-T187 HydrophobicContact CH2-CG2 4.1Å; W140-T187 HydrophobicContact CZ3-CG2 4.31Å; W140-L191 HydrophobicContact CE3-CD1 3.49Å; W140-L191 VanDerWaalsContact CE3-CD1 3.49Å; W140-L191 HydrophobicContact CH2-CD1 3.78Å; W140-L191 HydrophobicContact CZ3-CD1 3Å; W140-L191 HydrophobicContact CZ3-CG 4.45Å
141I88.8Confident88Confident13 Ų1346.5 Ų46.57%0.06724%0.24CC..Hα-helixtrans-58.9-54.1-178.1-58.8-178.9000112.6Y137 L139 L143 Y144 I145 V188 L191 L192Y137-I141 VanDerWaalsContact O-CD1 3.26Å; Y137-I141 WeakPolarHBondContact O-CD1 3.45Å; L139-I141 PolarHBondContact O-N 2.95Å; I141-L143 VanDerWaalsContact C-N 3.33Å; I141-L143 PolarHBondContact O-N 3.16Å; I141-Y144 PolarHBondContact O-N 3.29Å; I141-I145 HydrophobicContact CG2-CD1 4.14Å; I141-I145 WeakPolarHBondContact O-CG1 3.33Å; I141-I145 PolarHBondContact O-N 3.25Å; I141-I145 VanDerWaalsContact O-N 3.08Å; I141-V188 HydrophobicContact CG2-CG1 4.21Å; I141-L191 HydrophobicContact CD1-CB 4.24Å; I141-L191 HydrophobicContact CG1-CB 4.44Å; I141-L192 HydrophobicContact CD1-CD2 3.82Å; I141-L192 HydrophobicContact CD1-CG 4.37Å
142P91.5Very high88.4Confident70 Ų7044.8 Ų44.846%0.45523%0.228SC..Hα-helixtrans-64.9-36.8178.824.2-33.6000112.6S138 L139 Y144 I145 L146S138-P142 WeakPolarHBondContact O-CD 3.4Å; S138-P142 WeakPolarHBondContact O-CG 3.36Å; L139-P142 VanDerWaalsContact O-CD 3.27Å; L139-P142 WeakPolarHBondContact O-CD 3.38Å; L139-P142 VanDerWaalsContact O-CG 3.3Å; L139-P142 WeakPolarHBondContact O-CG 3.23Å; P142-Y144 VanDerWaalsContact C-N 3.31Å; P142-Y144 PolarHBondContact O-N 2.91Å; P142-I145 PolarHBondContact O-N 3.42Å; P142-L146 WeakPolarHBondContact O-CB 3.41Å; P142-L146 PolarHBondContact O-N 2.9Å
143L92.4Very high88.8Confident41 Ų4144.7 Ų44.722%0.21523%0.231CC..Hα-helixtrans-63.9-37.6175.7-72.2171.9000112.1L108 I111 L112 L115 L139 W140 I141 L146 S147L108-L143 HydrophobicContact CD2-CD2 4.15Å; I111-L143 HydrophobicContact CG2-CD1 3.69Å; L112-L143 HydrophobicContact CD2-CB 3.62Å; L112-L143 HydrophobicContact CG-CB 4.23Å; L115-L143 HydrophobicContact CD1-CD1 3.99Å; L139-L143 WeakPolarHBondContact O-CD1 3.24Å; L139-L143 VanDerWaalsContact O-CG 3.28Å; L139-L143 WeakPolarHBondContact O-CG 3.22Å; L139-L143 PolarHBondContact O-N 2.98Å; W140-L143 PolarHBondContact O-N 3.16Å; I141-L143 VanDerWaalsContact C-N 3.33Å; I141-L143 PolarHBondContact O-N 3.16Å; L143-L146 PolarHBondContact O-N 3.49Å; L143-S147 WeakPolarHBondContact O-CB 3.26Å; L143-S147 PolarHBondContact O-N 3.22Å
144Y90.6Very high89.2Confident17 Ų1742.4 Ų42.47%0.06722%0.218CC..Hα-helixtrans-65.5-46.5176.1179.7-99.9000111.2Q79 W140 I141 P142 L146 S147 V148 T187 V188Q79-Y144 HydrophobicContact CG-CE2 4.15Å; W140-Y144 HydrophobicContact CE3-CG 4.39Å; W140-Y144 HydrophobicContact CH2-CD1 4.39Å; W140-Y144 AromaticContact CH2-CD2 3.41Å; W140-Y144 HydrophobicContact CH2-CD2 3.41Å; W140-Y144 VanDerWaalsContact CH2-CD2 3.41Å; W140-Y144 AromaticContact CH2-CE2 3.96Å; W140-Y144 HydrophobicContact CH2-CE2 3.96Å; W140-Y144 AromaticContact CH2-CG 3.65Å; W140-Y144 HydrophobicContact CH2-CG 3.65Å; W140-Y144 HydrophobicContact CZ2-CD2 4.02Å; W140-Y144 HydrophobicContact CZ3-CD1 4.13Å; W140-Y144 AromaticContact CZ3-CD2 3.85Å; W140-Y144 HydrophobicContact CZ3-CD2 3.85Å; W140-Y144 AromaticContact CZ3-CG 3.55Å; W140-Y144 HydrophobicContact CZ3-CG 3.55Å; W140-Y144 WeakPolarHBondContact O-CB 3.44Å; W140-Y144 PolarHBondContact O-N 2.9Å; I141-Y144 PolarHBondContact O-N 3.29Å; P142-Y144 VanDerWaalsContact C-N 3.31Å; P142-Y144 PolarHBondContact O-N 2.91Å; Y144-L146 VanDerWaalsContact C-N 3.28Å; Y144-L146 PolarHBondContact O-N 2.91Å; Y144-S147 WeakPolarHBondContact O-CB 3.48Å; Y144-S147 PolarHBondContact O-N 2.89Å; Y144-S147 VanDerWaalsContact O-N 3.12Å; Y144-V148 HydrophobicContact CD1-CG2 4.15Å; Y144-V148 HydrophobicContact CE1-CG2 3.72Å; Y144-V148 HydrophobicContact CE2-CG2 4.26Å; Y144-V148 WeakPolarHBondContact O-CG2 3.33Å; Y144-V148 PolarHBondContact O-N 3.47Å; Y144-T187 HydrophobicContact CD1-CG2 4.37Å; Y144-T187 HydrophobicContact CE1-CG2 3.78Å; Y144-T187 HydrophobicContact CE2-CG2 4.35Å; Y144-V188 HydrophobicContact CD1-CG2 3.77Å; Y144-V188 HydrophobicContact CE1-CG2 4.04Å
145I90.7Very high89.4Confident78 Ų7835.2 Ų35.240%0.419%0.191SC..Hα-helixtrans-58.1-44.2176-66.2167.2000110.6I141 P142 S147 V148 I149 V188I141-I145 HydrophobicContact CG2-CD1 4.14Å; I141-I145 WeakPolarHBondContact O-CG1 3.33Å; I141-I145 PolarHBondContact O-N 3.25Å; I141-I145 VanDerWaalsContact O-N 3.08Å; P142-I145 PolarHBondContact O-N 3.42Å; I145-S147 PolarHBondContact O-N 3.39Å; I145-V148 PolarHBondContact O-N 2.99Å; I145-I149 HydrophobicContact CG2-CD1 4.07Å; I145-I149 WeakPolarHBondContact O-CG1 3.23Å; I145-I149 PolarHBondContact O-N 3.39Å; I145-I149 VanDerWaalsContact O-N 3.09Å; I145-V188 HydrophobicContact CG1-CG2 4.05Å
146L93.3Very high89.5Confident77 Ų7743.1 Ų43.140%0.40322%0.221SC..Hα-helixtrans-61.2-43.6176.4-177.460.4000111.7L108 P142 L143 Y144 V148 I149 I150L108-L146 HydrophobicContact CD1-CD2 4.24Å; L108-L146 HydrophobicContact CD1-CG 3.93Å; L108-L146 HydrophobicContact CD2-CD2 3.9Å; L108-L146 HydrophobicContact CD2-CG 4.4Å; P142-L146 WeakPolarHBondContact O-CB 3.41Å; P142-L146 PolarHBondContact O-N 2.9Å; L143-L146 PolarHBondContact O-N 3.49Å; Y144-L146 VanDerWaalsContact C-N 3.28Å; Y144-L146 PolarHBondContact O-N 2.91Å; L146-V148 PolarHBondContact O-N 2.93Å; L146-I149 PolarHBondContact O-N 2.93Å; L146-I150 HydrophobicContact CD1-CG1 4.48Å; L146-I150 WeakPolarHBondContact O-CG1 3.45Å; L146-I150 PolarHBondContact O-N 2.89Å
147S93.3Very high89.7Confident4 Ų443.3 Ų43.33%0.02823%0.225CC..Hα-helixtrans-62.8-39.4177.6-174.50000112.8Q105 W109 L143 Y144 I145 I149 I150 E151Q105-S147 PolarHBondContact NE2-O 3.26Å; Q105-S147 PolarHBondContact NE2-OG 3.33Å; Q105-S147 PolarHBondContact OE1-O 3.34Å; Q105-S147 VanDerWaalsContact OE1-O 3.11Å; Q105-S147 PolarHBondContact OE1-OG 3.02Å; W109-S147 VanDerWaalsContact CD1-OG 3.26Å; W109-S147 PolarHBondContact NE1-OG 3.2Å; L143-S147 WeakPolarHBondContact O-CB 3.26Å; L143-S147 PolarHBondContact O-N 3.22Å; Y144-S147 WeakPolarHBondContact O-CB 3.48Å; Y144-S147 PolarHBondContact O-N 2.89Å; Y144-S147 VanDerWaalsContact O-N 3.12Å; I145-S147 PolarHBondContact O-N 3.39Å; S147-I149 VanDerWaalsContact C-N 3.33Å; S147-I149 PolarHBondContact O-N 2.74Å; S147-I150 PolarHBondContact O-N 3.36Å; S147-E151 WeakPolarHBondContact O-CB 3.47Å; S147-E151 PolarHBondContact O-N 3.34Å
148V90.9Very high89.9Confident24 Ų2442.6 Ų42.615%0.14522%0.222CC..Hα-helixtrans-64.5-38.1175.6172.60000111.2Y144 I145 L146 E151 G152 L180Y144-V148 HydrophobicContact CD1-CG2 4.15Å; Y144-V148 HydrophobicContact CE1-CG2 3.72Å; Y144-V148 HydrophobicContact CE2-CG2 4.26Å; Y144-V148 WeakPolarHBondContact O-CG2 3.33Å; Y144-V148 PolarHBondContact O-N 3.47Å; I145-V148 PolarHBondContact O-N 2.99Å; L146-V148 PolarHBondContact O-N 2.93Å; V148-E151 WeakPolarHBondContact O-CB 3.16Å; V148-G152 PolarHBondContact O-N 3.36Å; V148-G152 VanDerWaalsContact O-N 3.16Å; V148-L180 HydrophobicContact CG1-CD2 3.39Å; V148-L180 HydrophobicContact CG1-CG 4.11Å
149I91Very high89.8Confident101 Ų10142.9 Ų42.952%0.51822%0.221SC..Hα-helixtrans-65.8-48175.6-67.6164.1000110.8I145 L146 S147 E151 G152 V153I145-I149 HydrophobicContact CG2-CD1 4.07Å; I145-I149 WeakPolarHBondContact O-CG1 3.23Å; I145-I149 PolarHBondContact O-N 3.39Å; I145-I149 VanDerWaalsContact O-N 3.09Å; L146-I149 PolarHBondContact O-N 2.93Å; S147-I149 VanDerWaalsContact C-N 3.33Å; S147-I149 PolarHBondContact O-N 2.74Å; I149-E151 VanDerWaalsContact C-N 3.27Å; I149-E151 PolarHBondContact O-N 2.69Å; I149-G152 WeakPolarHBondContact O-CA 3.19Å; I149-G152 PolarHBondContact O-N 3.44Å; I149-G152 VanDerWaalsContact O-N 3.12Å; I149-V153 PolarHBondContact O-N 3.05Å; I149-V153 VanDerWaalsContact O-N 3.12Å
150I92.8Very high89.5Confident30 Ų3042.8 Ų42.815%0.15423%0.225CC..Hα-helixtrans-62.7-36.9179.4-63.5-60.9000111.1V104 Q105 L108 L146 S147 G152 V153 I154V104-I150 HydrophobicContact CG1-CD1 4.44Å; V104-I150 HydrophobicContact CG1-CG1 4.3Å; Q105-I150 HydrophobicContact CB-CG2 3.88Å; L108-I150 HydrophobicContact CD1-CB 4.49Å; L108-I150 HydrophobicContact CD1-CG1 3.98Å; L146-I150 HydrophobicContact CD1-CG1 4.48Å; L146-I150 WeakPolarHBondContact O-CG1 3.45Å; L146-I150 PolarHBondContact O-N 2.89Å; S147-I150 PolarHBondContact O-N 3.36Å; I150-G152 VanDerWaalsContact C-N 3.34Å; I150-G152 PolarHBondContact O-N 3.47Å; I150-V153 WeakPolarHBondContact O-CB 3.37Å; I150-V153 PolarHBondContact O-N 2.85Å; I150-V153 VanDerWaalsContact O-N 3.12Å; I150-I154 HydrophobicContact CG2-CD1 4.16Å; I150-I154 HydrophobicContact CG2-CG1 4.5Å; I150-I154 WeakPolarHBondContact O-CG1 3.4Å; I150-I154 PolarHBondContact O-N 3.42Å
151E91.6Very high89Confident6 Ų645.9 Ų45.93%0.02824%0.237CC..Hα-helixtrans-57.5-46.5172.4-173.7161.7167.100112.1L86 S147 V148 I149 V153 I154 I155 Y176 L180L86-E151 HydrophobicContact CD1-CG 3.74Å; L86-E151 HydrophobicContact CD2-CB 4.13Å; L86-E151 HydrophobicContact CD2-CG 3.5Å; L86-E151 HydrophobicContact CG-CG 4.09Å; S147-E151 WeakPolarHBondContact O-CB 3.47Å; S147-E151 PolarHBondContact O-N 3.34Å; V148-E151 WeakPolarHBondContact O-CB 3.16Å; I149-E151 VanDerWaalsContact C-N 3.27Å; I149-E151 PolarHBondContact O-N 2.69Å; E151-V153 VanDerWaalsContact C-N 3.27Å; E151-V153 PolarHBondContact O-N 2.92Å; E151-I154 PolarHBondContact O-N 2.91Å; E151-I154 VanDerWaalsContact O-N 3.16Å; E151-I155 HydrophobicContact CG-CD1 4.03Å; E151-I155 WeakPolarHBondContact O-CD1 3.25Å; E151-I155 VanDerWaalsContact O-CG1 3.28Å; E151-I155 WeakPolarHBondContact O-CG1 3.49Å; E151-I155 PolarHBondContact O-N 3.32Å; E151-Y176 PolarHBondContact OE1-OH 3.46Å; E151-L180 HydrophobicContact CB-CD1 3.98Å; E151-L180 HydrophobicContact CG-CD1 3.38Å; E151-L180 WeakPolarHBondContact OE1-CD1 3.41Å
152G89.3Confident88.4Confident21 Ų2147.2 Ų47.222%0.21624%0.244CC..Hα-helixtrans-53.3-42.7171.900000113.4V148 I149 I150 I155 Y156V148-G152 PolarHBondContact O-N 3.36Å; V148-G152 VanDerWaalsContact O-N 3.16Å; I149-G152 WeakPolarHBondContact O-CA 3.19Å; I149-G152 PolarHBondContact O-N 3.44Å; I149-G152 VanDerWaalsContact O-N 3.12Å; I150-G152 VanDerWaalsContact C-N 3.34Å; I150-G152 PolarHBondContact O-N 3.47Å; G152-I155 PolarHBondContact O-N 3.43Å; G152-Y156 PolarHBondContact O-N 3.22Å; G152-Y156 VanDerWaalsContact O-N 3.08Å
153V91.1Very high87.1Confident53 Ų5349.1 Ų49.132%0.32125%0.247SC..Hα-helixtrans-67.2-41.9177.9178.90000111.5V101 I149 I150 E151 I155 Y156 E157V101-V153 HydrophobicContact CG1-CG1 3.93Å; I149-V153 PolarHBondContact O-N 3.05Å; I149-V153 VanDerWaalsContact O-N 3.12Å; I150-V153 WeakPolarHBondContact O-CB 3.37Å; I150-V153 PolarHBondContact O-N 2.85Å; I150-V153 VanDerWaalsContact O-N 3.12Å; E151-V153 VanDerWaalsContact C-N 3.27Å; E151-V153 PolarHBondContact O-N 2.92Å; V153-I155 VanDerWaalsContact C-N 3.3Å; V153-I155 PolarHBondContact O-N 2.93Å; V153-Y156 WeakPolarHBondContact O-CB 3.42Å; V153-Y156 PolarHBondContact O-N 3.25Å; V153-E157 PolarHBondContact O-N 3.5Å
154I91.1Very high85.7Confident2 Ų252.5 Ų52.51%0.0127%0.271CS..Hα-helixtrans-60.4-43177.4-68.6166.4000110.6L86 M89 V90 I96 V101 V102 Q105 I150 E151 Y156 E157 A158L86-I154 HydrophobicContact CD1-CB 4.42Å; L86-I154 HydrophobicContact CD1-CG2 4.02Å; L86-I154 HydrophobicContact CD2-CD1 4.25Å; M89-I154 HydrophobicContact CE-CG2 3.77Å; V90-I154 HydrophobicContact CG2-CG2 4.2Å; I96-I154 HydrophobicContact CD1-CG2 4.32Å; V101-I154 HydrophobicContact CB-CG1 3.97Å; V101-I154 HydrophobicContact CG2-CG1 3.8Å; V102-I154 HydrophobicContact CG2-CD1 4.25Å; V102-I154 HydrophobicContact CG2-CG1 4.29Å; V102-I154 HydrophobicContact CG2-CG2 4.31Å; Q105-I154 HydrophobicContact CB-CD1 3.53Å; Q105-I154 HydrophobicContact CG-CD1 3.8Å; I150-I154 HydrophobicContact CG2-CD1 4.16Å; I150-I154 HydrophobicContact CG2-CG1 4.5Å; I150-I154 WeakPolarHBondContact O-CG1 3.4Å; I150-I154 PolarHBondContact O-N 3.42Å; E151-I154 PolarHBondContact O-N 2.91Å; E151-I154 VanDerWaalsContact O-N 3.16Å; I154-Y156 VanDerWaalsContact C-N 3.33Å; I154-Y156 PolarHBondContact O-N 2.76Å; I154-E157 PolarHBondContact O-N 3.44Å; I154-A158 VanDerWaalsContact O-CB 3.3Å; I154-A158 WeakPolarHBondContact O-CB 3.47Å; I154-A158 PolarHBondContact O-N 3.29Å
155I87.9Confident84.3Confident2 Ų256.2 Ų56.21%0.0130%0.3CS..Hα-helixtrans-64.4-40.8178.5-63.3151000110.9L86 M89 E151 G152 V153 A158 L159 L173 Y176 L177 L180L86-I155 HydrophobicContact CD1-CG1 4.11Å; M89-I155 HydrophobicContact CE-CG1 4.08Å; E151-I155 HydrophobicContact CG-CD1 4.03Å; E151-I155 WeakPolarHBondContact O-CD1 3.25Å; E151-I155 VanDerWaalsContact O-CG1 3.28Å; E151-I155 WeakPolarHBondContact O-CG1 3.49Å; E151-I155 PolarHBondContact O-N 3.32Å; G152-I155 PolarHBondContact O-N 3.43Å; V153-I155 VanDerWaalsContact C-N 3.3Å; V153-I155 PolarHBondContact O-N 2.93Å; I155-A158 PolarHBondContact O-N 3.22Å; I155-L159 PolarHBondContact O-N 3.3Å; I155-L159 VanDerWaalsContact O-N 3.15Å; I155-L173 HydrophobicContact CG2-CD1 3.56Å; I155-L173 HydrophobicContact CG2-CD2 3.76Å; I155-L173 HydrophobicContact CG2-CG 3.52Å; I155-Y176 HydrophobicContact CD1-CD1 3.54Å; I155-Y176 HydrophobicContact CD1-CE1 3.31Å; I155-Y176 HydrophobicContact CG1-CD1 4.31Å; I155-Y176 HydrophobicContact CG1-CE1 4.13Å; I155-L177 HydrophobicContact CB-CD2 4.46Å; I155-L177 HydrophobicContact CD1-CD2 3.85Å; I155-L177 HydrophobicContact CG2-CD2 4.31Å; I155-L177 HydrophobicContact CG2-CG 4.47Å; I155-L180 HydrophobicContact CD1-CD1 4.3Å
156Y86.6Confident82.9Confident174 Ų17455.5 Ų55.568%0.68230%0.299SS*.Hα-helixtrans-63.4-42.8175.5-179.8-96.4000111.9G152 V153 I154 A158 L159G152-Y156 PolarHBondContact O-N 3.22Å; G152-Y156 VanDerWaalsContact O-N 3.08Å; V153-Y156 WeakPolarHBondContact O-CB 3.42Å; V153-Y156 PolarHBondContact O-N 3.25Å; I154-Y156 VanDerWaalsContact C-N 3.33Å; I154-Y156 PolarHBondContact O-N 2.76Å; Y156-A158 VanDerWaalsContact C-N 3.31Å; Y156-A158 PolarHBondContact O-N 3.02Å; Y156-L159 VanDerWaalsContact O-CB 3.3Å; Y156-L159 WeakPolarHBondContact O-CB 3.2Å; Y156-L159 PolarHBondContact O-N 3.25Å
157E87.7Confident81.3Confident58 Ų5857.6 Ų57.627%0.27132%0.318SS..Hα-helixtrans-68.3-28.5174.8-73.7-163.6-163.200113.2K99 V153 I154 L159 P160 Y161K99-E157 WeakPolarHBondContact CD-OE2 3.43Å; V153-E157 PolarHBondContact O-N 3.5Å; I154-E157 PolarHBondContact O-N 3.44Å; E157-L159 VanDerWaalsContact C-N 3.34Å; E157-P160 WeakPolarHBondContact O-CD 3.28Å; E157-Y161 WeakPolarHBondContact O-CD2 3.27Å; E157-Y161 VanDerWaalsContact O-CE2 3.24Å; E157-Y161 WeakPolarHBondContact O-CE2 3.16Å
158A85.8Confident80Confident0 Ų063.6 Ų63.60%035%0.345CS..Hα-helixtrans-74.5-23.2177.100000113.3M89 L93 I96 I154 I155 Y156 Y161 L162M89-A158 HydrophobicContact CE-CB 3.9Å; M89-A158 HydrophobicContact SD-CB 4.15Å; L93-A158 HydrophobicContact CD1-CB 3.85Å; I96-A158 HydrophobicContact CD1-CB 4.04Å; I96-A158 HydrophobicContact CG2-CB 4.41Å; I154-A158 VanDerWaalsContact O-CB 3.3Å; I154-A158 WeakPolarHBondContact O-CB 3.47Å; I154-A158 PolarHBondContact O-N 3.29Å; I155-A158 PolarHBondContact O-N 3.22Å; Y156-A158 VanDerWaalsContact C-N 3.31Å; Y156-A158 PolarHBondContact O-N 3.02Å; A158-Y161 PolarHBondContact O-N 3.48Å; A158-Y161 VanDerWaalsContact O-N 3.15Å; A158-L162 HydrophobicContact CB-CD1 4.28Å; A158-L162 PolarHBondContact O-N 2.99Å
159L81.6Confident78.9Confident34 Ų3463.2 Ų63.218%0.17834%0.342CS..Hα-helixtrans-49.8-53.6-175.9-17561.8000114.8I155 Y156 E157 Y161 L162 E163 L169 L173I155-L159 PolarHBondContact O-N 3.3Å; I155-L159 VanDerWaalsContact O-N 3.15Å; Y156-L159 VanDerWaalsContact O-CB 3.3Å; Y156-L159 WeakPolarHBondContact O-CB 3.2Å; Y156-L159 PolarHBondContact O-N 3.25Å; E157-L159 VanDerWaalsContact C-N 3.34Å; L159-Y161 PolarHBondContact O-N 3.43Å; L159-Y161 VanDerWaalsContact O-N 3.14Å; L159-L162 PolarHBondContact O-N 3.23Å; L159-E163 HydrophobicContact CD1-CG 4.31Å; L159-E163 HydrophobicContact CG-CG 4.42Å; L159-E163 WeakPolarHBondContact O-CG 3.5Å; L159-E163 PolarHBondContact O-N 3.33Å; L159-E163 VanDerWaalsContact O-N 3.11Å; L159-L169 HydrophobicContact CD1-CD2 3.92Å; L159-L173 HydrophobicContact CD1-CD1 3.99Å; L159-L173 HydrophobicContact CD1-CD2 4.08Å
160P81.7Confident77.8Confident75 Ų7562.1 Ų62.149%0.48734%0.341SS..Hα-helixtrans-61.9-24.6-177.324.2-36000114E157 P164E157-P160 WeakPolarHBondContact O-CD 3.28Å; P160-P164 WeakPolarHBondContact O-CD 3.48Å
161Y80.5Confident76.7Confident83 Ų8364.3 Ų64.333%0.32536%0.359SS..Hα-helixtrans-82.5-23.5179.2-54.5-79.5000112.4E95 I96 E157 A158 L159E95-Y161 HydrophobicContact CB-CD1 3.83Å; E95-Y161 HydrophobicContact CB-CE1 3.5Å; E95-Y161 HydrophobicContact CB-CE2 4.45Å; E95-Y161 HydrophobicContact CB-CG 4.44Å; E95-Y161 HydrophobicContact CG-CD1 3.87Å; E95-Y161 HydrophobicContact CG-CE1 3.75Å; I96-Y161 HydrophobicContact CG2-CD2 3.94Å; I96-Y161 HydrophobicContact CG2-CE2 3.89Å; E157-Y161 WeakPolarHBondContact O-CD2 3.27Å; E157-Y161 VanDerWaalsContact O-CE2 3.24Å; E157-Y161 WeakPolarHBondContact O-CE2 3.16Å; A158-Y161 PolarHBondContact O-N 3.48Å; A158-Y161 VanDerWaalsContact O-N 3.15Å; L159-Y161 PolarHBondContact O-N 3.43Å; L159-Y161 VanDerWaalsContact O-N 3.14Å
162L74.4Confident75.7Confident41 Ų4168.7 Ų68.722%0.21538%0.382CS..Hα-helixtrans-90.3-30.4-179-71170.5000112.3L93 A158 L159 P164 S165 L169L93-L162 HydrophobicContact CD1-CD1 4.27Å; L93-L162 HydrophobicContact CD1-CD2 4.06Å; L93-L162 HydrophobicContact CD1-CG 4.01Å; L93-L162 HydrophobicContact CD2-CD2 4.21Å; L93-L162 HydrophobicContact CD2-CG 4.45Å; L93-L162 HydrophobicContact CG-CD2 4.49Å; A158-L162 HydrophobicContact CB-CD1 4.28Å; A158-L162 PolarHBondContact O-N 2.99Å; L159-L162 PolarHBondContact O-N 3.23Å; L162-P164 VanDerWaalsContact C-CD 3.45Å; L162-S165 PolarHBondContact O-N 2.94Å; L162-L169 HydrophobicContact CB-CD1 3.74Å; L162-L169 HydrophobicContact CB-CD2 3.28Å; L162-L169 HydrophobicContact CB-CG 4.09Å; L162-L169 HydrophobicContact CD1-CD1 4.27Å; L162-L169 HydrophobicContact CG-CD1 4.46Å
163E64.8Low74.9Confident111 Ų11168.9 Ų68.952%0.51938%0.378SS..G310 helixtrans-51.5-43.2-177.9-82.9-177.4176.400115.9L159 S165 L169L159-E163 HydrophobicContact CD1-CG 4.31Å; L159-E163 HydrophobicContact CG-CG 4.42Å; L159-E163 WeakPolarHBondContact O-CG 3.5Å; L159-E163 PolarHBondContact O-N 3.33Å; L159-E163 VanDerWaalsContact O-N 3.11Å; E163-S165 PolarHBondContact O-N 3.47Å; E163-S165 VanDerWaalsContact O-N 3.12Å; E163-L169 HydrophobicContact CB-CD2 4.49Å; E163-L169 HydrophobicContact CG-CD2 4.06Å; E163-L169 VanDerWaalsContact N-CD2 3.32Å
164P62.8Low74.1Confident111 Ų11171.3 Ų71.372%0.72139%0.389SS*.G310 helixtrans-68.7-12.4-177.323.5-31.9000113.9P160 L162P160-P164 WeakPolarHBondContact O-CD 3.48Å; L162-P164 VanDerWaalsContact C-CD 3.45Å
165S61.4Low73.4Confident96 Ų9675.8 Ų75.867%0.67141%0.412SS*.G310 helixtrans-104-21.2-170.3-57.70000114.5L162 E163L162-S165 PolarHBondContact O-N 2.94Å; E163-S165 PolarHBondContact O-N 3.47Å; E163-S165 VanDerWaalsContact O-N 3.12Å
166V61.5Low73Confident62 Ų6277.6 Ų77.638%0.37642%0.419SS..  trans-147.3114.3-171.8-152.80000113.2H168 L169V166-H168 PolarHBondContact O-N 3.29Å; V166-H168 VanDerWaalsContact O-N 3.16Å; V166-L169 HydrophobicContact CB-CB 4.28Å; V166-L169 VanDerWaalsContact O-CB 3.22Å; V166-L169 WeakPolarHBondContact O-CB 3.3Å; V166-L169 PolarHBondContact O-N 3.46Å; V166-L169 VanDerWaalsContact O-N 3.16Å
167P59.1Low72.7Confident122 Ų12272.1 Ų72.179%0.79240%0.401SS*.THydrogen-bonded Turntrans-69.7-11.6-177.324.3-31.9000115.2
168H66.6Low72.3Confident129 Ų12973.9 Ų73.960%0.59741%0.412SS*.THydrogen-bonded Turntrans-102.611.8175.3-60.1-57.3000113.6V166 S171 L172V166-H168 PolarHBondContact O-N 3.29Å; V166-H168 VanDerWaalsContact O-N 3.16Å; H168-S171 PolarHBondContact O-N 3.25Å; H168-S171 PolarHBondContact O-OG 2.96Å; H168-L172 PolarHBondContact O-N 3.47Å
169L67.1Low72.1Confident17 Ų1778.8 Ų78.89%0.08944%0.438CS..Hα-helixtrans-61.3-42.3-174.1-17282.6000114.6L159 L162 E163 V166 S171 L172 L173L159-L169 HydrophobicContact CD1-CD2 3.92Å; L162-L169 HydrophobicContact CB-CD1 3.74Å; L162-L169 HydrophobicContact CB-CD2 3.28Å; L162-L169 HydrophobicContact CB-CG 4.09Å; L162-L169 HydrophobicContact CD1-CD1 4.27Å; L162-L169 HydrophobicContact CG-CD1 4.46Å; E163-L169 HydrophobicContact CB-CD2 4.49Å; E163-L169 HydrophobicContact CG-CD2 4.06Å; E163-L169 VanDerWaalsContact N-CD2 3.32Å; V166-L169 HydrophobicContact CB-CB 4.28Å; V166-L169 VanDerWaalsContact O-CB 3.22Å; V166-L169 WeakPolarHBondContact O-CB 3.3Å; V166-L169 PolarHBondContact O-N 3.46Å; V166-L169 VanDerWaalsContact O-N 3.16Å; L169-S171 VanDerWaalsContact C-N 3.29Å; L169-S171 PolarHBondContact O-N 3.24Å; L169-L172 PolarHBondContact O-N 3.11Å; L169-L173 WeakPolarHBondContact O-CB 3.33Å; L169-L173 PolarHBondContact O-N 3Å
170P68.1Low72.1Confident78 Ų7877.6 Ų77.651%0.50643%0.432SS..Hα-helixtrans-63.7-34-176.7-23.335.1000113.2L174P170-L174 WeakPolarHBondContact O-CB 3.37Å; P170-L174 PolarHBondContact O-N 2.92Å
171S69.9Low72.1Confident75 Ų7576.5 Ų76.552%0.52443%0.429SS..Hα-helixtrans-75.4-37.2177.651.30000112.5H168 L169 L175H168-S171 PolarHBondContact O-N 3.25Å; H168-S171 PolarHBondContact O-OG 2.96Å; L169-S171 VanDerWaalsContact C-N 3.29Å; L169-S171 PolarHBondContact O-N 3.24Å; S171-L175 WeakPolarHBondContact O-CB 3.28Å; S171-L175 PolarHBondContact O-N 3.2Å
172L71.8Confident72.3Confident99 Ų9976.9 Ų76.952%0.51844%0.44SS..Hα-helixtrans-64.9-39.4172.9-76.6165.3000111.9H168 L169 L175 Y176H168-L172 PolarHBondContact O-N 3.47Å; L169-L172 PolarHBondContact O-N 3.11Å; L172-L175 WeakPolarHBondContact O-CB 3.48Å; L172-L175 PolarHBondContact O-N 3.2Å; L172-Y176 PolarHBondContact O-N 3.46Å
173L71.9Confident72.7Confident24 Ų2475.1 Ų75.113%0.12643%0.431CS..Hα-helixtrans-71-41.2179.7-158.5116.8000111.7I155 L159 L169 L175 Y176 L177I155-L173 HydrophobicContact CG2-CD1 3.56Å; I155-L173 HydrophobicContact CG2-CD2 3.76Å; I155-L173 HydrophobicContact CG2-CG 3.52Å; L159-L173 HydrophobicContact CD1-CD1 3.99Å; L159-L173 HydrophobicContact CD1-CD2 4.08Å; L169-L173 WeakPolarHBondContact O-CB 3.33Å; L169-L173 PolarHBondContact O-N 3Å; L173-L175 VanDerWaalsContact C-N 3.3Å; L173-L175 PolarHBondContact O-N 3.48Å; L173-Y176 PolarHBondContact O-N 3.27Å; L173-L177 HydrophobicContact CD2-CD1 4.14Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.37Å
174L74.9Confident73.6Confident105 Ų10570.2 Ų70.255%0.5541%0.41SS..Hα-helixtrans-60.9-41.8171.6-177.264.8000111.2P170 L177 L178P170-L174 WeakPolarHBondContact O-CB 3.37Å; P170-L174 PolarHBondContact O-N 2.92Å; L174-L177 PolarHBondContact O-N 3.38Å; L174-L178 HydrophobicContact CG-CD1 4.15Å; L174-L178 WeakPolarHBondContact O-CB 3.37Å; L174-L178 WeakPolarHBondContact O-CG 3.3Å; L174-L178 PolarHBondContact O-N 3.48Å
175L76.3Confident74.7Confident95 Ų9568.6 Ų68.650%0.49740%0.402SS..Hα-helixtrans-61.3-43.6174.7-177.365.7000111.4S171 L172 L173 L178 L179S171-L175 WeakPolarHBondContact O-CB 3.28Å; S171-L175 PolarHBondContact O-N 3.2Å; L172-L175 WeakPolarHBondContact O-CB 3.48Å; L172-L175 PolarHBondContact O-N 3.2Å; L173-L175 VanDerWaalsContact C-N 3.3Å; L173-L175 PolarHBondContact O-N 3.48Å; L175-L178 PolarHBondContact O-N 3.12Å; L175-L179 HydrophobicContact CG-CD1 4.18Å; L175-L179 WeakPolarHBondContact O-CB 3.19Å; L175-L179 VanDerWaalsContact O-CG 3.24Å; L175-L179 WeakPolarHBondContact O-CG 3.41Å; L175-L179 PolarHBondContact O-N 2.94Å
176Y78.8Confident75.8Confident41 Ų4166 Ų6616%0.16138%0.382CS..Hα-helixtrans-63.1-46.1176.6-174.5-86.8000112.2E82 I85 E151 I155 L172 L173 L178 L179 L180E82-Y176 PolarHBondContact O-OH 3.36Å; I85-Y176 HydrophobicContact CB-CE2 4Å; I85-Y176 HydrophobicContact CD1-CE2 4.19Å; I85-Y176 HydrophobicContact CG2-CD2 4.19Å; I85-Y176 HydrophobicContact CG2-CE2 3.42Å; I85-Y176 VanDerWaalsContact CG2-CE2 3.42Å; E151-Y176 PolarHBondContact OE1-OH 3.46Å; I155-Y176 HydrophobicContact CD1-CD1 3.54Å; I155-Y176 HydrophobicContact CD1-CE1 3.31Å; I155-Y176 HydrophobicContact CG1-CD1 4.31Å; I155-Y176 HydrophobicContact CG1-CE1 4.13Å; L172-Y176 PolarHBondContact O-N 3.46Å; L173-Y176 PolarHBondContact O-N 3.27Å; Y176-L178 VanDerWaalsContact C-N 3.31Å; Y176-L178 PolarHBondContact O-N 2.84Å; Y176-L179 WeakPolarHBondContact O-CB 3.5Å; Y176-L179 PolarHBondContact O-N 3.42Å; Y176-L180 HydrophobicContact CE1-CB 4.46Å; Y176-L180 HydrophobicContact CE1-CD1 3.81Å; Y176-L180 WeakPolarHBondContact O-CB 3.33Å; Y176-L180 PolarHBondContact O-N 3.06Å
177L80.3Confident76.9Confident58 Ų5863.1 Ų63.130%0.30436%0.364SS..Hα-helixtrans-62.7-38.1177.2-71.7172000112.2I155 L173 L174 L180 A181I155-L177 HydrophobicContact CB-CD2 4.46Å; I155-L177 HydrophobicContact CD1-CD2 3.85Å; I155-L177 HydrophobicContact CG2-CD2 4.31Å; I155-L177 HydrophobicContact CG2-CG 4.47Å; L173-L177 HydrophobicContact CD2-CD1 4.14Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.37Å; L174-L177 PolarHBondContact O-N 3.38Å; L177-L180 PolarHBondContact O-N 3.15Å; L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 3.28Å
178L79.6Confident78.2Confident96 Ų9658.5 Ų58.550%0.50333%0.334SS..Hα-helixtrans-65.4-43.8173.5-73.5170.9000111.4L174 L175 Y176 L180 A181 V182L174-L178 HydrophobicContact CG-CD1 4.15Å; L174-L178 WeakPolarHBondContact O-CB 3.37Å; L174-L178 WeakPolarHBondContact O-CG 3.3Å; L174-L178 PolarHBondContact O-N 3.48Å; L175-L178 PolarHBondContact O-N 3.12Å; Y176-L178 VanDerWaalsContact C-N 3.31Å; Y176-L178 PolarHBondContact O-N 2.84Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L178-L180 PolarHBondContact O-N 3.15Å; L178-A181 PolarHBondContact O-N 3.35Å; L178-V182 WeakPolarHBondContact O-CB 3.41Å; L178-V182 VanDerWaalsContact O-CG2 3.23Å; L178-V182 WeakPolarHBondContact O-CG2 3.5Å; L178-V182 PolarHBondContact O-N 3.35Å
179L81.6Confident79.1Confident102 Ų10260 Ų6053%0.53433%0.334SS..Hα-helixtrans-60.3-44.3175.4-74.8169.4000111.2L175 Y176 V182 G183L175-L179 HydrophobicContact CG-CD1 4.18Å; L175-L179 WeakPolarHBondContact O-CB 3.19Å; L175-L179 VanDerWaalsContact O-CG 3.24Å; L175-L179 WeakPolarHBondContact O-CG 3.41Å; L175-L179 PolarHBondContact O-N 2.94Å; Y176-L179 WeakPolarHBondContact O-CB 3.5Å; Y176-L179 PolarHBondContact O-N 3.42Å; L179-V182 PolarHBondContact O-N 3.47Å; L179-G183 PolarHBondContact O-N 3.49Å
180L81.4Confident80Confident10 Ų1060 Ų605%0.05233%0.334CS..Hα-helixtrans-64.5-42.1178.1-179140.8000112.4V148 E151 I155 Y176 L177 L178 G184V148-L180 HydrophobicContact CG1-CD2 3.39Å; V148-L180 HydrophobicContact CG1-CG 4.11Å; E151-L180 HydrophobicContact CB-CD1 3.98Å; E151-L180 HydrophobicContact CG-CD1 3.38Å; E151-L180 WeakPolarHBondContact OE1-CD1 3.41Å; I155-L180 HydrophobicContact CD1-CD1 4.3Å; Y176-L180 HydrophobicContact CE1-CB 4.46Å; Y176-L180 HydrophobicContact CE1-CD1 3.81Å; Y176-L180 WeakPolarHBondContact O-CB 3.33Å; Y176-L180 PolarHBondContact O-N 3.06Å; L177-L180 PolarHBondContact O-N 3.15Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L178-L180 PolarHBondContact O-N 3.15Å; L180-G184 PolarHBondContact O-N 3.3Å
181A81.5Confident80.8Confident51 Ų5156.9 Ų56.942%0.42131%0.313SS..Hα-helixtrans-64.8-43.2175.300000111.8L177 L178 S185L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 3.28Å; L178-A181 PolarHBondContact O-N 3.35Å; A181-S185 WeakPolarHBondContact O-CB 3.37Å; A181-S185 PolarHBondContact O-N 3.16Å; A181-S185 PolarHBondContact O-OG 3.41Å
182V84.2Confident81.6Confident92 Ų9257.3 Ų57.356%0.55831%0.309SS*.Hα-helixtrans-67.9-49.1177.8171.80000110.7L178 L179 S185 V186L178-V182 WeakPolarHBondContact O-CB 3.41Å; L178-V182 VanDerWaalsContact O-CG2 3.23Å; L178-V182 WeakPolarHBondContact O-CG2 3.5Å; L178-V182 PolarHBondContact O-N 3.35Å; L179-V182 PolarHBondContact O-N 3.47Å; V182-S185 PolarHBondContact O-N 3.47Å; V182-V186 HydrophobicContact CG1-CG2 4.39Å; V182-V186 WeakPolarHBondContact O-CB 3.37Å; V182-V186 VanDerWaalsContact O-CG2 3.28Å; V182-V186 WeakPolarHBondContact O-CG2 3.45Å; V182-V186 PolarHBondContact O-N 3.06Å
183G83.8Confident82.3Confident4 Ų458 Ų584%0.04131%0.308CS..Hα-helixtrans-61.8-45.4-179.800000112.6L179 V186 T187L179-G183 PolarHBondContact O-N 3.49Å; G183-V186 PolarHBondContact O-N 2.87Å; G183-T187 WeakPolarHBondContact O-CB 3.39Å; G183-T187 PolarHBondContact O-N 3.32Å; G183-T187 PolarHBondContact O-OG1 2.92Å
184G83.7Confident82.9Confident7 Ų758.8 Ų58.87%0.07231%0.311CS..Hα-helixtrans-59.4-47.1172.200000112.7L180 T187 V188L180-G184 PolarHBondContact O-N 3.3Å; G184-T187 PolarHBondContact O-N 3.16Å; G184-V188 WeakPolarHBondContact O-CG2 3.24Å; G184-V188 PolarHBondContact O-N 3.49Å
185S84.4Confident83.4Confident78 Ų7858.2 Ų58.255%0.54530%0.301SS..Hα-helixtrans-63.5-43.7179.2-62.90000112.6A181 V182 V188 W189A181-S185 WeakPolarHBondContact O-CB 3.37Å; A181-S185 PolarHBondContact O-N 3.16Å; A181-S185 PolarHBondContact O-OG 3.41Å; V182-S185 PolarHBondContact O-N 3.47Å; S185-V188 PolarHBondContact O-N 3.09Å; S185-W189 VanDerWaalsContact O-CB 3.24Å; S185-W189 WeakPolarHBondContact O-CB 3.21Å; S185-W189 PolarHBondContact O-N 3.34Å
186V85.6Confident83.8Confident42 Ų4260 Ų6026%0.25531%0.305SS..Hα-helixtrans-62.2-45.2177.6168.90000110.7V182 G183 W189 Q190V182-V186 HydrophobicContact CG1-CG2 4.39Å; V182-V186 WeakPolarHBondContact O-CB 3.37Å; V182-V186 VanDerWaalsContact O-CG2 3.28Å; V182-V186 WeakPolarHBondContact O-CG2 3.45Å; V182-V186 PolarHBondContact O-N 3.06Å; G183-V186 PolarHBondContact O-N 2.87Å; V186-W189 PolarHBondContact O-N 3.12Å; V186-Q190 WeakPolarHBondContact O-CG 3.32Å; V186-Q190 PolarHBondContact O-N 3.39Å; V186-Q190 PolarHBondContact O-OE1 3.12Å
187T84.8Confident84.1Confident1 Ų163.6 Ų63.61%0.00632%0.323CS..Hα-helixtrans-59.2-51.4177.2-70.20000111.4Q79 W140 Y144 G183 G184 W189 Q190 L191Q79-T187 HydrophobicContact CG-CG2 4.35Å; W140-T187 HydrophobicContact CH2-CG2 4.1Å; W140-T187 HydrophobicContact CZ3-CG2 4.31Å; Y144-T187 HydrophobicContact CD1-CG2 4.37Å; Y144-T187 HydrophobicContact CE1-CG2 3.78Å; Y144-T187 HydrophobicContact CE2-CG2 4.35Å; G183-T187 WeakPolarHBondContact O-CB 3.39Å; G183-T187 PolarHBondContact O-N 3.32Å; G183-T187 PolarHBondContact O-OG1 2.92Å; G184-T187 PolarHBondContact O-N 3.16Å; T187-W189 VanDerWaalsContact C-N 3.35Å; T187-W189 PolarHBondContact O-N 3.39Å; T187-Q190 PolarHBondContact O-N 3.37Å; T187-L191 HydrophobicContact CG2-CD1 3.94Å; T187-L191 WeakPolarHBondContact O-CG 3.32Å; T187-L191 PolarHBondContact O-N 3.17Å
188V86.2Confident84.1Confident25 Ų2564.5 Ų64.515%0.15233%0.325CS..Hα-helixtrans-61.9-45.1179.9170.60000110.6I141 Y144 I145 G184 S185 Q190 L191 L192I141-V188 HydrophobicContact CG2-CG1 4.21Å; Y144-V188 HydrophobicContact CD1-CG2 3.77Å; Y144-V188 HydrophobicContact CE1-CG2 4.04Å; I145-V188 HydrophobicContact CG1-CG2 4.05Å; G184-V188 WeakPolarHBondContact O-CG2 3.24Å; G184-V188 PolarHBondContact O-N 3.49Å; S185-V188 PolarHBondContact O-N 3.09Å; V188-Q190 VanDerWaalsContact C-N 3.32Å; V188-Q190 PolarHBondContact O-N 2.98Å; V188-L191 PolarHBondContact O-N 3.11Å; V188-L192 HydrophobicContact CG1-CD1 3.94Å; V188-L192 HydrophobicContact CG1-CG 4.34Å; V188-L192 WeakPolarHBondContact O-CG 3.19Å; V188-L192 PolarHBondContact O-N 3.23Å
189W86.1Confident84.2Confident159 Ų15964.5 Ų64.560%0.60233%0.325SS*.Hα-helixtrans-58.4-43.5179.1175.669.3000112.4S185 V186 T187 L192 K193S185-W189 VanDerWaalsContact O-CB 3.24Å; S185-W189 WeakPolarHBondContact O-CB 3.21Å; S185-W189 PolarHBondContact O-N 3.34Å; V186-W189 PolarHBondContact O-N 3.12Å; T187-W189 VanDerWaalsContact C-N 3.35Å; T187-W189 PolarHBondContact O-N 3.39Å; W189-L192 PolarHBondContact O-N 3.46Å; W189-K193 WeakPolarHBondContact O-CB 3.32Å; W189-K193 PolarHBondContact O-N 2.95Å
190Q85.6Confident84.3Confident18 Ų1863.6 Ų63.68%0.08432%0.319CS..Hα-helixtrans-67.6-40.7178.3-72.5163.3-24.500112.4P75 V186 T187 V188 L192 K193 E194P75-Q190 VanDerWaalsContact CB-OE1 3.25Å; V186-Q190 WeakPolarHBondContact O-CG 3.32Å; V186-Q190 PolarHBondContact O-N 3.39Å; V186-Q190 PolarHBondContact O-OE1 3.12Å; T187-Q190 PolarHBondContact O-N 3.37Å; V188-Q190 VanDerWaalsContact C-N 3.32Å; V188-Q190 PolarHBondContact O-N 2.98Å; Q190-L192 VanDerWaalsContact C-N 3.33Å; Q190-L192 PolarHBondContact O-N 3.36Å; Q190-K193 WeakPolarHBondContact O-CB 3.45Å; Q190-K193 PolarHBondContact O-N 3.08Å; Q190-K193 VanDerWaalsContact O-N 3.17Å; Q190-E194 WeakPolarHBondContact O-CG 3.38Å; Q190-E194 PolarHBondContact O-N 3.08Å
191L84.1Confident84.3Confident13 Ų1369.9 Ų69.97%0.06835%0.346CS..Hα-helixtrans-64.6-38.2176.8-72166.1000112.1Y137 W140 I141 T187 V188 K193 E194 R195Y137-L191 HydrophobicContact CE1-CD2 4.25Å; W140-L191 HydrophobicContact CE3-CD1 3.49Å; W140-L191 VanDerWaalsContact CE3-CD1 3.49Å; W140-L191 HydrophobicContact CH2-CD1 3.78Å; W140-L191 HydrophobicContact CZ3-CD1 3Å; W140-L191 HydrophobicContact CZ3-CG 4.45Å; I141-L191 HydrophobicContact CD1-CB 4.24Å; I141-L191 HydrophobicContact CG1-CB 4.44Å; T187-L191 HydrophobicContact CG2-CD1 3.94Å; T187-L191 WeakPolarHBondContact O-CG 3.32Å; T187-L191 PolarHBondContact O-N 3.17Å; V188-L191 PolarHBondContact O-N 3.11Å; L191-K193 VanDerWaalsContact C-N 3.34Å; L191-E194 PolarHBondContact O-N 3.29Å; L191-R195 WeakPolarHBondContact O-CB 3.48Å; L191-R195 PolarHBondContact O-N 3.34Å
192L86.2Confident84.2Confident84 Ų8473.8 Ų73.844%0.4435%0.349SS..Hα-helixtrans-64.4-40173-70.3174.5000111.6I141 V188 W189 Q190 R195 K196I141-L192 HydrophobicContact CD1-CD2 3.82Å; I141-L192 HydrophobicContact CD1-CG 4.37Å; V188-L192 HydrophobicContact CG1-CD1 3.94Å; V188-L192 HydrophobicContact CG1-CG 4.34Å; V188-L192 WeakPolarHBondContact O-CG 3.19Å; V188-L192 PolarHBondContact O-N 3.23Å; W189-L192 PolarHBondContact O-N 3.46Å; Q190-L192 VanDerWaalsContact C-N 3.33Å; Q190-L192 PolarHBondContact O-N 3.36Å; L192-R195 PolarHBondContact O-N 3.02Å; L192-K196 PolarHBondContact O-N 3.03Å
193K86.6Confident83.9Confident112 Ų11276.7 Ų76.749%0.48735%0.351SS..Hα-helixtrans-63.7-42.4175.2-171.5175.4-177.2173.50111.8W189 Q190 L191 K196 H197W189-K193 WeakPolarHBondContact O-CB 3.32Å; W189-K193 PolarHBondContact O-N 2.95Å; Q190-K193 WeakPolarHBondContact O-CB 3.45Å; Q190-K193 PolarHBondContact O-N 3.08Å; Q190-K193 VanDerWaalsContact O-N 3.17Å; L191-K193 VanDerWaalsContact C-N 3.34Å; K193-K196 PolarHBondContact O-N 2.74Å; K193-H197 PolarHBondContact O-N 3.38Å
194E85.1Confident83.8Confident42 Ų4283 Ų8320%0.19638%0.378CS..Hα-helixtrans-64.9-46.7176.2-73.4175.1178.100111.5R72 Y137 Q190 L191 K196 H197 H198R72-E194 IonicContact CZ-OE1 3.9Å; R72-E194 IonicContact NE-OE1 3.53Å; R72-E194 PolarHBondContact NE-OE1 3.04Å; R72-E194 IonicContact NH2-OE1 3.51Å; Y137-E194 HydrophobicContact CE1-CB 3.85Å; Q190-E194 WeakPolarHBondContact O-CG 3.38Å; Q190-E194 PolarHBondContact O-N 3.08Å; L191-E194 PolarHBondContact O-N 3.29Å; E194-K196 VanDerWaalsContact C-N 3.31Å; E194-K196 PolarHBondContact O-N 2.99Å; E194-H197 PolarHBondContact O-N 3.38Å; E194-H197 VanDerWaalsContact O-N 3.15Å; E194-H198 PolarHBondContact O-CD2 3.49Å; E194-H198 PolarHBondContact O-N 2.64Å
195R84.5Confident83.5Confident93 Ų9386 Ų8635%0.35140%0.398SS..Hα-helixtrans-53.2-48.9173.7-177.5-175.5178.2167.6-9.5111.4Y137 L191 L192 H197 H198 L199Y137-R195 HydrophobicContact CD1-CB 3.83Å; Y137-R195 HydrophobicContact CD2-CB 4.37Å; Y137-R195 HydrophobicContact CE1-CB 4.41Å; Y137-R195 HydrophobicContact CG-CB 3.83Å; Y137-R195 HydrophobicContact CG-CG 4.08Å; Y137-R195 PolarHBondContact O-NH1 3Å; L191-R195 WeakPolarHBondContact O-CB 3.48Å; L191-R195 PolarHBondContact O-N 3.34Å; L192-R195 PolarHBondContact O-N 3.02Å; R195-H197 PolarHBondContact O-N 2.82Å; R195-H198 PolarHBondContact O-N 3.1Å; R195-L199 HydrophobicContact CG-CD1 3.99Å; R195-L199 HydrophobicContact CG-CG 4.5Å; R195-L199 WeakPolarHBondContact O-CB 3.24Å; R195-L199 VanDerWaalsContact O-CG 3.31Å; R195-L199 WeakPolarHBondContact O-CG 3.41Å; R195-L199 PolarHBondContact O-N 2.93Å
196K85.3Confident83Confident133 Ų13389.1 Ų89.158%0.57840%0.402SS*.Hα-helixtrans-58.9-46.8178.4-174.3176.7178.3178.30111.2L192 K193 E194 H198 L199 E200L192-K196 PolarHBondContact O-N 3.03Å; K193-K196 PolarHBondContact O-N 2.74Å; E194-K196 VanDerWaalsContact C-N 3.31Å; E194-K196 PolarHBondContact O-N 2.99Å; K196-H198 PolarHBondContact O-N 3.27Å; K196-L199 PolarHBondContact O-N 3.28Å; K196-E200 WeakPolarHBondContact CE-OE1 3.37Å; K196-E200 WeakPolarHBondContact O-CB 3.38Å; K196-E200 WeakPolarHBondContact O-CG 3.5Å; K196-E200 PolarHBondContact O-N 2.94Å
197H84.8Confident82.1Confident116 Ų11694.6 Ų94.654%0.53742%0.422SS..Hα-helixtrans-60.8-43.9178.7-173.469.1000112.7K193 E194 R195 E200 K201K193-H197 PolarHBondContact O-N 3.38Å; E194-H197 PolarHBondContact O-N 3.38Å; E194-H197 VanDerWaalsContact O-N 3.15Å; R195-H197 PolarHBondContact O-N 2.82Å; H197-E200 PolarHBondContact O-N 3.11Å; H197-K201 WeakPolarHBondContact O-CB 3.48Å; H197-K201 PolarHBondContact O-N 3.42Å
198H81.8Confident81.2Confident76 Ų76103.6 Ų103.635%0.35246%0.461SS..Hα-helixtrans-65.1-41.1177.3-80.2-76.9000112.6Y137 E194 R195 K196 K201 R202Y137-H198 AromaticContact CE2-CD2 3.73Å; Y137-H198 AromaticContact CZ-CD2 3.79Å; Y137-H198 PolarHBondContact OH-CD2 3.44Å; Y137-H198 VanDerWaalsContact OH-CD2 3.25Å; Y137-H198 PolarHBondContact OH-NE2 3.21Å; E194-H198 PolarHBondContact O-CD2 3.49Å; E194-H198 PolarHBondContact O-N 2.64Å; R195-H198 PolarHBondContact O-N 3.1Å; K196-H198 PolarHBondContact O-N 3.27Å; H198-K201 PolarHBondContact O-N 3.38Å; H198-R202 WeakPolarHBondContact O-CB 3.3Å; H198-R202 PolarHBondContact O-N 3.16Å
199L80.8Confident79.5Confident96 Ų96113.9 Ų113.950%0.50350%0.503SS..Hα-helixtrans-63.9-44.9176.2-72172.6000111.6R195 K196 R202 Y203R195-L199 HydrophobicContact CG-CD1 3.99Å; R195-L199 HydrophobicContact CG-CG 4.5Å; R195-L199 WeakPolarHBondContact O-CB 3.24Å; R195-L199 VanDerWaalsContact O-CG 3.31Å; R195-L199 WeakPolarHBondContact O-CG 3.41Å; R195-L199 PolarHBondContact O-N 2.93Å; K196-L199 PolarHBondContact O-N 3.28Å; L199-R202 PolarHBondContact O-N 2.95Å; L199-Y203 WeakPolarHBondContact O-CB 3.39Å; L199-Y203 PolarHBondContact O-N 3.12Å
200E82.8Confident79.2Confident83 Ų83111.6 Ų111.639%0.38850%0.498SS..Hα-helixtrans-62.3-44.1176.6-74.9177.4-173.400112.2K196 H197 R202 Y203 K204K196-E200 WeakPolarHBondContact CE-OE1 3.37Å; K196-E200 WeakPolarHBondContact O-CB 3.38Å; K196-E200 WeakPolarHBondContact O-CG 3.5Å; K196-E200 PolarHBondContact O-N 2.94Å; H197-E200 PolarHBondContact O-N 3.11Å; E200-R202 VanDerWaalsContact C-N 3.32Å; E200-R202 PolarHBondContact O-N 3.44Å; E200-Y203 PolarHBondContact O-N 3.38Å; E200-K204 WeakPolarHBondContact O-CG 3.49Å; E200-K204 PolarHBondContact O-N 3.21Å
201K82.8Confident78.9Confident143 Ų143116.5 Ų116.562%0.62252%0.52SS*.Hα-helixtrans-59.9-43.2175.9-173.6177.9-179.8179.40111.2H197 H198 K204 S205H197-K201 WeakPolarHBondContact O-CB 3.48Å; H197-K201 PolarHBondContact O-N 3.42Å; H198-K201 PolarHBondContact O-N 3.38Å; K201-K204 PolarHBondContact O-N 3.08Å; K201-S205 WeakPolarHBondContact O-CB 3.47Å; K201-S205 PolarHBondContact O-N 2.94Å
202R79.5Confident78.6Confident132 Ų132122.3 Ų122.350%0.49855%0.545SS..Hα-helixtrans-65.9-42.5177.7-168.8178.3-175.4-172.80.7112H198 L199 E200 S205 K206H198-R202 WeakPolarHBondContact O-CB 3.3Å; H198-R202 PolarHBondContact O-N 3.16Å; L199-R202 PolarHBondContact O-N 2.95Å; E200-R202 VanDerWaalsContact C-N 3.32Å; E200-R202 PolarHBondContact O-N 3.44Å; R202-S205 PolarHBondContact O-N 3.12Å; R202-K206 PolarHBondContact O-N 3.14Å
203Y78.1Confident78.1Confident154 Ų154124.5 Ų124.560%0.60455%0.552SS**Hα-helixtrans-60.9-47.5175.8179.2-97.8000111.5L199 E200 S205 K206 K207L199-Y203 WeakPolarHBondContact O-CB 3.39Å; L199-Y203 PolarHBondContact O-N 3.12Å; E200-Y203 PolarHBondContact O-N 3.38Å; Y203-S205 VanDerWaalsContact C-N 3.33Å; Y203-S205 PolarHBondContact O-N 3.12Å; Y203-K206 PolarHBondContact O-N 3.48Å; Y203-K206 VanDerWaalsContact O-N 3.16Å; Y203-K207 HydrophobicContact CE1-CD 4.31Å; Y203-K207 PolarHBondContact O-N 2.9Å
204K80.5Confident77.6Confident136 Ų136125.3 Ų125.359%0.59156%0.556SS**Hα-helixtrans-60.7-39.3175.7-72.8178.2-179.3177.30112.6E200 K201 K207 K208E200-K204 WeakPolarHBondContact O-CG 3.49Å; E200-K204 PolarHBondContact O-N 3.21Å; K201-K204 PolarHBondContact O-N 3.08Å; K204-K207 PolarHBondContact O-N 3.19Å; K204-K208 WeakPolarHBondContact O-CG 3.25Å; K204-K208 PolarHBondContact O-N 3.33Å
205S77.4Confident77.1Confident71 Ų71130.9 Ų130.950%0.49758%0.58SS.*Hα-helixtrans-67.2-33.9176-176.60000113K201 R202 Y203K201-S205 WeakPolarHBondContact O-CB 3.47Å; K201-S205 PolarHBondContact O-N 2.94Å; R202-S205 PolarHBondContact O-N 3.12Å; Y203-S205 VanDerWaalsContact C-N 3.33Å; Y203-S205 PolarHBondContact O-N 3.12Å
206K73.4Confident76.6Confident143 Ų143133.6 Ų133.662%0.62260%0.596SS**Hα-helixtrans-72.2-34.3174.8-79.7-171.5173.2-170.20112.6R202 Y203 K208 K209R202-K206 PolarHBondContact O-N 3.14Å; Y203-K206 PolarHBondContact O-N 3.48Å; Y203-K206 VanDerWaalsContact O-N 3.16Å; K206-K208 VanDerWaalsContact C-N 3.28Å; K206-K208 PolarHBondContact O-N 2.98Å; K206-K209 PolarHBondContact O-N 3.01Å
207K68.1Low75.9Confident157 Ų157133.6 Ų133.668%0.68360%0.597SS**Hα-helixtrans-74.4-16178.8-162.4174.7-179.3177.80113.7Y203 K204Y203-K207 HydrophobicContact CE1-CD 4.31Å; Y203-K207 PolarHBondContact O-N 2.9Å; K204-K207 PolarHBondContact O-N 3.19Å
208K65.2Low75.1Confident189 Ų189135.1 Ų135.182%0.82260%0.602SS**THydrogen-bonded Turntrans-93.6-5.5176.9-75.3-174.8175.9-169.20113.8K204 K206K204-K208 WeakPolarHBondContact O-CG 3.25Å; K204-K208 PolarHBondContact O-N 3.33Å; K206-K208 VanDerWaalsContact C-N 3.28Å; K206-K208 PolarHBondContact O-N 2.98Å
209K51.3Low74.5Confident241 Ų241140.5 Ų140.5100%1.04863%0.625SS**  trans-102.90172.1-83.3-171.6172.5-170.60108.7K206K206-K209 PolarHBondContact O-N 3.01Å

Retrieved 209 of 209 residues in 42.8 ms (Link to these results)

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