A0A087XTS6_POEFO Loading...

Elongation of very long chain fatty acids protein 5

Catalyzes the first and rate-limiting reaction of the four reactions that constitute the long-chain fatty acids elongation cycle. This endoplasmic reticulum-bound enzymatic process allows the addition of 2 carbons to the chain of long- and very long-chain fatty acids (VLCFAs) per cycle. Condensing enzyme that acts specifically toward polyunsaturated acyl-CoA with the higher activity toward C18:3(n-6) acyl-CoA. May participate in the production of monounsaturated and of polyunsaturated VLCFAs of different chain lengths that are involved in multiple biological processes as precursors of membrane lipids and lipid mediators. In conditions where the essential linoleic and alpha linoleic fatty acids are lacking it is also involved in the synthesis of Mead acid from oleic acid. Catalyzes the first and rate-limiting reaction of the four reactions that constitute the long-chain fatty acids elongation cycle. This endoplasmic reticulum-bound enzymatic process allows the addition of 2 carbons to the chain of long- and very long-chain fatty acids (VLCFAs) per cycle. Condensing enzyme that acts specifically toward polyunsaturated acyl-CoA with the higher activity toward C18:3(n-6) acyl-CoA. May participate to the production of monounsaturated and of polyunsaturated VLCFAs of different chain lengths that are involved in multiple biological processes as precursors of membrane lipids and lipid mediators.

AlphaFold DB , UniProt , Accession A0A087XTS6, Species POEFO (Poecilia formosa, Amazon molly), Gene ELOVL5, Length 294 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.2Low76Confident172 Ų172100.8 Ų100.885%0.84750%0.496SS*.  0-46.40-144-176.2-67.600110.6T3 L4 N5 L33M1-T3 PolarHBondContact O-N 3.48Å; M1-L4 PolarHBondContact O-N 3.31Å; M1-N5 PolarHBondContact O-N 3.25Å; M1-L33 HydrophobicContact CG-CD2 4.02Å; M1-L33 HydrophobicContact SD-CD2 4.46Å
2E72.9Confident76.4Confident166 Ų16694.2 Ų94.278%0.77646%0.463SS*.Hα-helixtrans-57.5-42.6178-67.2173.3171.500114.5L4 N5 H6E2-L4 VanDerWaalsContact C-N 3.3Å; E2-L4 PolarHBondContact O-N 3.14Å; E2-N5 PolarHBondContact O-N 3.19Å; E2-H6 WeakPolarHBondContact O-CB 3.37Å; E2-H6 PolarHBondContact O-N 3.21Å
3T75Confident76.5Confident107 Ų10792.7 Ų92.766%0.65645%0.454SS*.Hα-helixtrans-64.5-34178.8-17.30000112.8M1 K7M1-T3 PolarHBondContact O-N 3.48Å; T3-K7 WeakPolarHBondContact O-CG 3.5Å; T3-K7 PolarHBondContact O-N 2.86Å; T3-K7 VanDerWaalsContact O-N 3.16Å
4L77.8Confident76.8Confident92 Ų9295.1 Ų95.148%0.48248%0.477SS..Hα-helixtrans-72.3-44.3176179.667.2000110.5M1 E2 H6 K7 L8 L33M1-L4 PolarHBondContact O-N 3.31Å; E2-L4 VanDerWaalsContact C-N 3.3Å; E2-L4 PolarHBondContact O-N 3.14Å; L4-H6 VanDerWaalsContact C-N 3.33Å; L4-H6 PolarHBondContact O-N 3.25Å; L4-K7 PolarHBondContact O-N 3.31Å; L4-L8 HydrophobicContact CD1-CD1 4.32Å; L4-L8 HydrophobicContact CG-CD1 4.03Å; L4-L8 WeakPolarHBondContact O-CB 3.26Å; L4-L8 PolarHBondContact O-N 3.06Å; L4-L33 HydrophobicContact CD2-CD1 4.35Å; L4-L33 HydrophobicContact CD2-CD2 4.31Å
5N77.5Confident76.7Confident21 Ų21100.7 Ų100.711%0.11249%0.49CS..Hα-helixtrans-59.8-44.6176-71.3-12000111.3M1 E2 K7 L8 N9 N31M1-N5 PolarHBondContact O-N 3.25Å; E2-N5 PolarHBondContact O-N 3.19Å; N5-K7 PolarHBondContact O-N 2.85Å; N5-L8 PolarHBondContact O-N 2.92Å; N5-N9 VanDerWaalsContact O-CB 3.3Å; N5-N9 WeakPolarHBondContact O-CB 3.4Å; N5-N9 PolarHBondContact O-N 3.1Å; N5-N9 PolarHBondContact O-ND2 3.42Å; N5-N31 WeakPolarHBondContact CB-OD1 3.42Å; N5-N31 PolarHBondContact ND2-OD1 2.95Å
6H76.4Confident76.7Confident144 Ų14497.1 Ų97.167%0.66747%0.473SS*.Hα-helixtrans-64.2-40.8178.2-165.9-55.6000112.1E2 L4 A10E2-H6 WeakPolarHBondContact O-CB 3.37Å; E2-H6 PolarHBondContact O-N 3.21Å; L4-H6 VanDerWaalsContact C-N 3.33Å; L4-H6 PolarHBondContact O-N 3.25Å; H6-A10 VanDerWaalsContact O-CB 3.23Å; H6-A10 WeakPolarHBondContact O-CB 3.42Å; H6-A10 PolarHBondContact O-N 2.91Å
7K81.8Confident76.7Confident152 Ų15292.8 Ų92.866%0.66146%0.46SS*.Hα-helixtrans-65.7-43.1175.6-76.8-177.9-179.8-173.90112.2T3 L4 N5 Y11T3-K7 WeakPolarHBondContact O-CG 3.5Å; T3-K7 PolarHBondContact O-N 2.86Å; T3-K7 VanDerWaalsContact O-N 3.16Å; L4-K7 PolarHBondContact O-N 3.31Å; N5-K7 PolarHBondContact O-N 2.85Å; K7-Y11 WeakPolarHBondContact O-CB 3.41Å; K7-Y11 PolarHBondContact O-N 3.35Å
8L79.1Confident76.7Confident49 Ų4994.3 Ų94.326%0.25748%0.477SS..Hα-helixtrans-63.4-46.9176.8-86163.2000111.6L4 N5 Y11 F12 L33L4-L8 HydrophobicContact CD1-CD1 4.32Å; L4-L8 HydrophobicContact CG-CD1 4.03Å; L4-L8 WeakPolarHBondContact O-CB 3.26Å; L4-L8 PolarHBondContact O-N 3.06Å; N5-L8 PolarHBondContact O-N 2.92Å; L8-Y11 WeakPolarHBondContact O-CB 3.01Å; L8-Y11 PolarHBondContact O-N 3.4Å; L8-F12 HydrophobicContact CB-CE2 4.4Å; L8-F12 HydrophobicContact CD2-CE2 4.22Å; L8-F12 HydrophobicContact CD2-CZ 4.32Å; L8-F12 WeakPolarHBondContact O-CD2 3.42Å; L8-F12 WeakPolarHBondContact O-CG 3.33Å; L8-F12 PolarHBondContact O-N 3.31Å; L8-L33 HydrophobicContact CD1-CD1 4.46Å
9N76.7Confident76.9Confident20 Ų2091.6 Ų91.611%0.10746%0.461CS..Hα-helixtrans-63.3-44178.6-71.6-12.1000111N5 Y11 F12 E13 D30N5-N9 VanDerWaalsContact O-CB 3.3Å; N5-N9 WeakPolarHBondContact O-CB 3.4Å; N5-N9 PolarHBondContact O-N 3.1Å; N5-N9 PolarHBondContact O-ND2 3.42Å; N9-Y11 VanDerWaalsContact C-N 3.33Å; N9-Y11 PolarHBondContact O-N 2.81Å; N9-F12 PolarHBondContact O-N 3.45Å; N9-E13 WeakPolarHBondContact O-CB 3.27Å; N9-E13 WeakPolarHBondContact O-CG 3.5Å; N9-E13 PolarHBondContact O-N 3.01Å; N9-D30 PolarHBondContact ND2-O 3.43Å
10A76.4Confident77Confident38 Ų3888.4 Ų88.431%0.31445%0.445SS..Hα-helixtrans-62.8-38.9175.400000112.5H6 E13 T14H6-A10 VanDerWaalsContact O-CB 3.23Å; H6-A10 WeakPolarHBondContact O-CB 3.42Å; H6-A10 PolarHBondContact O-N 2.91Å; A10-E13 PolarHBondContact O-N 2.85Å; A10-T14 WeakPolarHBondContact O-CB 3.41Å; A10-T14 PolarHBondContact O-N 2.94Å; A10-T14 PolarHBondContact O-OG1 3.33Å
11Y81.5Confident77.1Confident148 Ų14892.3 Ų92.358%0.5846%0.459SS*.Hα-helixtrans-62.3-47.1174.7178.8-96.3000111.6K7 L8 N9 T14 W15K7-Y11 WeakPolarHBondContact O-CB 3.41Å; K7-Y11 PolarHBondContact O-N 3.35Å; L8-Y11 WeakPolarHBondContact O-CB 3.01Å; L8-Y11 PolarHBondContact O-N 3.4Å; N9-Y11 VanDerWaalsContact C-N 3.33Å; N9-Y11 PolarHBondContact O-N 2.81Å; Y11-T14 PolarHBondContact O-N 3.27Å; Y11-W15 WeakPolarHBondContact O-CB 2.89Å; Y11-W15 PolarHBondContact O-N 3.2Å
12F80.9Confident78.1Confident21 Ų2188 Ų889%0.09243%0.434CS..Hα-helixtrans-65.5-40177.5-67.2-48.7000112.7L8 N9 T14 W15 M16 Y32 W155 F156 W160L8-F12 HydrophobicContact CB-CE2 4.4Å; L8-F12 HydrophobicContact CD2-CE2 4.22Å; L8-F12 HydrophobicContact CD2-CZ 4.32Å; L8-F12 WeakPolarHBondContact O-CD2 3.42Å; L8-F12 WeakPolarHBondContact O-CG 3.33Å; L8-F12 PolarHBondContact O-N 3.31Å; N9-F12 PolarHBondContact O-N 3.45Å; F12-T14 VanDerWaalsContact C-N 3.31Å; F12-T14 PolarHBondContact O-N 2.91Å; F12-W15 PolarHBondContact O-N 3.09Å; F12-M16 HydrophobicContact CB-CE 4.33Å; F12-M16 HydrophobicContact CD1-CE 4.24Å; F12-M16 WeakPolarHBondContact O-CB 3.45Å; F12-M16 PolarHBondContact O-N 2.88Å; F12-Y32 AromaticContact CE2-CD1 3.83Å; F12-Y32 HydrophobicContact CE2-CD1 3.83Å; F12-Y32 AromaticContact CE2-CG 3.98Å; F12-Y32 HydrophobicContact CE2-CG 3.98Å; F12-Y32 AromaticContact CZ-CD1 3.83Å; F12-Y32 HydrophobicContact CZ-CD1 3.83Å; F12-Y32 HydrophobicContact CZ-CE1 4.24Å; F12-Y32 HydrophobicContact CZ-CG 4.31Å; F12-W155 HydrophobicContact CD2-CH2 4.48Å; F12-F156 HydrophobicContact CD1-CE1 4.11Å; F12-F156 AromaticContact CE1-CE1 3.89Å; F12-F156 HydrophobicContact CE1-CE1 3.89Å; F12-F156 HydrophobicContact CE1-CZ 4.04Å; F12-F156 HydrophobicContact CE2-CE1 4.49Å; F12-F156 HydrophobicContact CZ-CE1 4.09Å; F12-F156 HydrophobicContact CZ-CZ 4.07Å; F12-W160 HydrophobicContact CB-CH2 3.64Å; F12-W160 HydrophobicContact CB-CZ2 3.87Å; F12-W160 HydrophobicContact CG-CH2 4.34Å
13E77.7Confident78.5Confident75 Ų7580.2 Ų80.235%0.3540%0.397SS..Hα-helixtrans-64.8-35.9176.3-75.1175-171.700111.8N9 A10 G17 R19N9-E13 WeakPolarHBondContact O-CB 3.27Å; N9-E13 WeakPolarHBondContact O-CG 3.5Å; N9-E13 PolarHBondContact O-N 3.01Å; A10-E13 PolarHBondContact O-N 2.85Å; E13-G17 WeakPolarHBondContact CA-O 3.46Å; E13-G17 CarbonylContact O-C 3.41Å; E13-G17 WeakPolarHBondContact O-CA 2.84Å; E13-G17 PolarHBondContact O-N 3.36Å; E13-R19 HydrophobicContact CG-CG 4.34Å; E13-R19 IonicContact OE1-CZ 3.31Å; E13-R19 IonicContact OE1-NE 3.09Å; E13-R19 PolarHBondContact OE1-NE 3.09Å; E13-R19 IonicContact OE1-NH2 2.7Å; E13-R19 PolarHBondContact OE1-NH2 3.17Å
14T80.4Confident78.7Confident126 Ų12680.4 Ų80.477%0.77339%0.391SS*.Hα-helixtrans-66.6-38.6174-53.80000111.6A10 Y11 F12A10-T14 WeakPolarHBondContact O-CB 3.41Å; A10-T14 PolarHBondContact O-N 2.94Å; A10-T14 PolarHBondContact O-OG1 3.33Å; Y11-T14 PolarHBondContact O-N 3.27Å; F12-T14 VanDerWaalsContact C-N 3.31Å; F12-T14 PolarHBondContact O-N 2.91Å
15W75.8Confident78.7Confident180 Ų18079 Ų7968%0.68240%0.398SS*.Hα-helixtrans-83.1-39-175.1-17355.1000113.8Y11 F12Y11-W15 WeakPolarHBondContact O-CB 2.89Å; Y11-W15 PolarHBondContact O-N 3.2Å; F12-W15 PolarHBondContact O-N 3.09Å
16M75.8Confident79.1Confident43 Ų4380 Ų8021%0.21240%0.403CS..Hα-helixtrans-111.9-6.6-173-64-163.4-71.400114.1F12 F156 W160 W231F12-M16 HydrophobicContact CB-CE 4.33Å; F12-M16 HydrophobicContact CD1-CE 4.24Å; F12-M16 WeakPolarHBondContact O-CB 3.45Å; F12-M16 PolarHBondContact O-N 2.88Å; M16-F156 HydrophobicContact CE-CD1 3.36Å; M16-F156 HydrophobicContact CE-CE1 3.6Å; M16-F156 HydrophobicContact CE-CG 4.43Å; M16-F156 HydrophobicContact SD-CD1 4.43Å; M16-W160 HydrophobicContact CB-CD2 4.14Å; M16-W160 VanDerWaalsContact CB-CE2 3.49Å; M16-W160 HydrophobicContact CB-CG 4.38Å; M16-W160 HydrophobicContact CB-CZ2 3.87Å; M16-W160 VanDerWaalsContact CB-NE1 3.34Å; M16-W160 HydrophobicContact CE-CD2 3.92Å; M16-W160 HydrophobicContact CE-CE3 3.68Å; M16-W160 HydrophobicContact CE-CH2 3.32Å; M16-W160 HydrophobicContact CE-CZ2 3.52Å; M16-W160 HydrophobicContact CE-CZ3 3.41Å; M16-W160 VanDerWaalsContact CE-CZ3 3.41Å; M16-W160 PolarHBondContact O-NE1 2.64Å; M16-W160 HydrophobicContact SD-CD2 4.48Å; M16-W231 HydrophobicContact SD-CH2 3.64Å; M16-W231 HydrophobicContact SD-CZ2 3.63Å
17G76.4Confident79.5Confident24 Ų2478.5 Ų78.525%0.24740%0.399CS..  trans89.5-175.4-177.600000113.2E13 W160E13-G17 WeakPolarHBondContact CA-O 3.46Å; E13-G17 CarbonylContact O-C 3.41Å; E13-G17 WeakPolarHBondContact O-CA 2.84Å; E13-G17 PolarHBondContact O-N 3.36Å; G17-W160 PolarHBondContact O-NE1 3.05Å
18P77.2Confident79.6Confident119 Ų11973.3 Ų73.377%0.77338%0.378SS*.PPolyproline II helixtrans-64.8139.6-17627.4-34.1000111.5
19R80.3Confident79.9Confident44 Ų4471 Ų7117%0.16637%0.366CS..PPolyproline II helixtrans-70.4152.2173.5-69.6-176-74.2165.2-1.4111.4E13 K21 D30 N159 W160E13-R19 HydrophobicContact CG-CG 4.34Å; E13-R19 IonicContact OE1-CZ 3.31Å; E13-R19 IonicContact OE1-NE 3.09Å; E13-R19 PolarHBondContact OE1-NE 3.09Å; E13-R19 IonicContact OE1-NH2 2.7Å; E13-R19 PolarHBondContact OE1-NH2 3.17Å; R19-K21 PolarHBondContact O-N 3.16Å; R19-D30 PolarHBondContact NH1-O 3.08Å; R19-N159 WeakPolarHBondContact CA-O 3.39Å; R19-N159 WeakPolarHBondContact CD-OD1 3.45Å; R19-N159 HydrophobicContact CG-CB 4.35Å; R19-W160 HydrophobicContact CG-CH2 4.12Å; R19-W160 HydrophobicContact CG-CZ2 3.84Å
20D79Confident80.1Confident27 Ų2773 Ų7314%0.14438%0.377CS..PPolyproline II helixtrans-65.9124.1173.9-166-41.5000109.8R22 V23 N159 P162D20-R22 PolarHBondContact O-N 3.33Å; D20-R22 WeakPolarHBondContact OD1-CB 3.43Å; D20-R22 VanDerWaalsContact OD1-CG 3.28Å; D20-R22 WeakPolarHBondContact OD1-CG 3.38Å; D20-R22 IonicContact OD1-CZ 3.86Å; D20-R22 PolarHBondContact OD1-N 3.49Å; D20-R22 IonicContact OD1-NE 3.83Å; D20-R22 PolarHBondContact OD1-NE 3.27Å; D20-R22 VanDerWaalsContact OD1-NE 3.07Å; D20-R22 IonicContact OD2-CZ 4Å; D20-R22 VanDerWaalsContact OD2-CZ 3.31Å; D20-R22 IonicContact OD2-NE 3.07Å; D20-R22 PolarHBondContact OD2-NE 2.99Å; D20-R22 VanDerWaalsContact OD2-NE 3.09Å; D20-R22 IonicContact OD2-NH2 3.72Å; D20-R22 PolarHBondContact OD2-NH2 3.11Å; D20-V23 HydrophobicContact CB-CG2 4.32Å; D20-V23 WeakPolarHBondContact O-CG2 3.29Å; D20-N159 PolarHBondContact N-O 2.99Å; D20-P162 HydrophobicContact CB-CG 3.85Å; D20-P162 WeakPolarHBondContact OD2-CD 3.14Å; D20-P162 VanDerWaalsContact OD2-CG 3.27Å; D20-P162 WeakPolarHBondContact OD2-CG 3.45Å
21K80.4Confident80.5Confident170 Ų17073.7 Ų73.774%0.73938%0.375SS*.G310 helixtrans-67.9-22.8-178.5-65.2-177.4-179.6179.10112.4R19 V23 Q24R19-K21 PolarHBondContact O-N 3.16Å; K21-V23 PolarHBondContact O-N 2.93Å; K21-Q24 PolarHBondContact O-N 3.11Å
22R80.4Confident80.6Confident83 Ų8368.4 Ų68.431%0.31335%0.354SS..G310 helixtrans-69.9-18.6-176.1-61.8175.4-72.4-167-4.7113.2D20 T99 D100 D106 I110 C163D20-R22 PolarHBondContact O-N 3.33Å; D20-R22 WeakPolarHBondContact OD1-CB 3.43Å; D20-R22 VanDerWaalsContact OD1-CG 3.28Å; D20-R22 WeakPolarHBondContact OD1-CG 3.38Å; D20-R22 IonicContact OD1-CZ 3.86Å; D20-R22 PolarHBondContact OD1-N 3.49Å; D20-R22 IonicContact OD1-NE 3.83Å; D20-R22 PolarHBondContact OD1-NE 3.27Å; D20-R22 VanDerWaalsContact OD1-NE 3.07Å; D20-R22 IonicContact OD2-CZ 4Å; D20-R22 VanDerWaalsContact OD2-CZ 3.31Å; D20-R22 IonicContact OD2-NE 3.07Å; D20-R22 PolarHBondContact OD2-NE 2.99Å; D20-R22 VanDerWaalsContact OD2-NE 3.09Å; D20-R22 IonicContact OD2-NH2 3.72Å; D20-R22 PolarHBondContact OD2-NH2 3.11Å; R22-T99 PolarHBondContact NH1-O 3.47Å; R22-T99 VanDerWaalsContact NH1-O 3.08Å; R22-T99 PolarHBondContact NH2-O 3.43Å; R22-T99 VanDerWaalsContact NH2-O 3.16Å; R22-D100 IonicContact NH1-OD1 2.64Å; R22-D100 IonicContact NH2-OD1 3.49Å; R22-D106 IonicContact NH1-OD2 2.77Å; R22-I110 HydrophobicContact CB-CD1 3.9Å; R22-I110 HydrophobicContact CG-CD1 4.39Å; R22-C163 PolarHBondContact NH2-SG 3.32Å
23V81.8Confident80.9Confident2 Ų269.6 Ų69.61%0.01236%0.362CS..G310 helixtrans-102.3-1.7-180-62.50000113.8D20 K21 M26 L29 I110 M158 P162D20-V23 HydrophobicContact CB-CG2 4.32Å; D20-V23 WeakPolarHBondContact O-CG2 3.29Å; K21-V23 PolarHBondContact O-N 2.93Å; V23-M26 HydrophobicContact CB-SD 4.09Å; V23-M26 HydrophobicContact CG1-SD 4.13Å; V23-M26 WeakPolarHBondContact O-CB 3.38Å; V23-M26 WeakPolarHBondContact O-CG 3.31Å; V23-M26 PolarHBondContact O-N 3.16Å; V23-L29 HydrophobicContact CB-CD1 4.11Å; V23-I110 HydrophobicContact CG1-CG2 3.59Å; V23-M158 HydrophobicContact CG1-CE 4.14Å; V23-M158 WeakPolarHBondContact CG1-O 3.35Å; V23-M158 WeakPolarHBondContact CG2-O 3.41Å; V23-P162 HydrophobicContact CG1-CB 3.74Å; V23-P162 HydrophobicContact CG1-CG 3.87Å
24Q78.6Confident81.5Confident111 Ų11168.4 Ų68.452%0.51936%0.36SS..THydrogen-bonded Turntrans-66.1133.9-179.9-68-178.3-12.400110.9K21 M26K21-Q24 PolarHBondContact O-N 3.11Å; Q24-M26 VanDerWaalsContact C-N 3.29Å
25G79.6Confident81.9Confident62 Ų6262.4 Ų62.464%0.63932%0.324SS*.THydrogen-bonded Turntrans83-0.4-177.300000114.4D30G25-D30 PolarHBondContact N-OD1 3.26Å
26M84.4Confident82.6Confident43 Ų4358.6 Ų58.621%0.21231%0.312CS..  trans-75138.4172.2-63.6-173.390.800110.7V23 Q24 L28 L29 I110 W114V23-M26 HydrophobicContact CB-SD 4.09Å; V23-M26 HydrophobicContact CG1-SD 4.13Å; V23-M26 WeakPolarHBondContact O-CB 3.38Å; V23-M26 WeakPolarHBondContact O-CG 3.31Å; V23-M26 PolarHBondContact O-N 3.16Å; Q24-M26 VanDerWaalsContact C-N 3.29Å; M26-L28 PolarHBondContact O-N 3.24Å; M26-L29 HydrophobicContact CB-CB 4.37Å; M26-L29 HydrophobicContact CB-CD1 3.96Å; M26-L29 HydrophobicContact CB-CG 4.41Å; M26-L29 PolarHBondContact O-N 3.04Å; M26-L29 VanDerWaalsContact O-N 3.08Å; M26-L29 HydrophobicContact SD-CD1 4.26Å; M26-I110 HydrophobicContact SD-CG2 4.37Å; M26-W114 HydrophobicContact CE-CB 3.39Å; M26-W114 HydrophobicContact CE-CD2 4.12Å; M26-W114 HydrophobicContact CE-CG 3.43Å; M26-W114 VanDerWaalsContact CE-CG 3.43Å; M26-W114 HydrophobicContact SD-CB 4.35Å; M26-W114 HydrophobicContact SD-CG 4.38Å
27L86.1Confident83.4Confident112 Ų11259.2 Ų59.259%0.58632%0.324SS*.THydrogen-bonded Turntrans-54.9131.4-176.3-17973.8000111.3L29 W114L27-L29 PolarHBondContact O-N 3.17Å; L27-W114 HydrophobicContact CB-CZ2 3.9Å; L27-W114 HydrophobicContact CD2-CZ2 4.23Å; L27-W114 PolarHBondContact O-NE1 3.23Å
28L83.9Confident84.2Confident43 Ų4359.9 Ų59.923%0.22532%0.322CS..THydrogen-bonded Turntrans64.78.6-178.5-63.3170.7000116.4M26 P34 L38 Y117 L121 W155M26-L28 PolarHBondContact O-N 3.24Å; L28-P34 HydrophobicContact CD2-CB 3.76Å; L28-L38 HydrophobicContact CD1-CD1 4.37Å; L28-L38 HydrophobicContact CD2-CD1 4.41Å; L28-Y117 HydrophobicContact CB-CE1 3.99Å; L28-Y117 PolarHBondContact O-OH 2.56Å; L28-L121 HydrophobicContact CD1-CD2 3.94Å; L28-W155 VanDerWaalsContact O-CD1 3.25Å; L28-W155 PolarHBondContact O-NE1 3.34Å; L28-W155 VanDerWaalsContact O-NE1 3.14Å
29L84.3Confident84.9Confident0 Ų054.7 Ų54.70%029%0.288CS..THydrogen-bonded Turntrans-101.6-24.8177.2-69.2-174.5000114.1V23 M26 L27 N31 Y117 W155 M158 N159V23-L29 HydrophobicContact CB-CD1 4.11Å; M26-L29 HydrophobicContact CB-CB 4.37Å; M26-L29 HydrophobicContact CB-CD1 3.96Å; M26-L29 HydrophobicContact CB-CG 4.41Å; M26-L29 PolarHBondContact O-N 3.04Å; M26-L29 VanDerWaalsContact O-N 3.08Å; M26-L29 HydrophobicContact SD-CD1 4.26Å; L27-L29 PolarHBondContact O-N 3.17Å; L29-N31 VanDerWaalsContact C-N 3.32Å; L29-N31 PolarHBondContact O-N 3.49Å; L29-Y117 HydrophobicContact CD2-CD1 4Å; L29-Y117 HydrophobicContact CD2-CE1 3.82Å; L29-Y117 HydrophobicContact CG-CE1 4.45Å; L29-W155 WeakPolarHBondContact O-CZ2 3.27Å; L29-W155 PolarHBondContact O-NE1 3.45Å; L29-M158 HydrophobicContact CD1-CB 3.83Å; L29-M158 HydrophobicContact CD1-CE 4Å; L29-M158 HydrophobicContact CD1-CG 4.37Å; L29-M158 HydrophobicContact CD2-CB 3.71Å; L29-M158 HydrophobicContact CD2-CG 4.3Å; L29-M158 HydrophobicContact CG-CB 4.48Å; L29-N159 PolarHBondContact O-ND2 3.46Å; L29-N159 PolarHBondContact O-OD1 3.45Å
30D81.6Confident85.6Confident62 Ų6255.4 Ų55.433%0.33230%0.297SS..SBendtrans-66.5-31.8-176.2-66.3-35.4000114.3N9 R19 G25N9-D30 PolarHBondContact ND2-O 3.43Å; R19-D30 PolarHBondContact NH1-O 3.08Å; G25-D30 PolarHBondContact N-OD1 3.26Å
31N83.8Confident86.3Confident53 Ų5358.7 Ų58.728%0.28331%0.312SS..  trans-129.2136.5-176.5-63.6-74.1000109.8N5 L29 P34 W155N5-N31 WeakPolarHBondContact CB-OD1 3.42Å; N5-N31 PolarHBondContact ND2-OD1 2.95Å; L29-N31 VanDerWaalsContact C-N 3.32Å; L29-N31 PolarHBondContact O-N 3.49Å; N31-P34 HydrophobicContact CB-CG 4.21Å; N31-P34 WeakPolarHBondContact O-CD 3.41Å; N31-W155 PolarHBondContact O-NE1 3.46Å
32Y85.4Confident87Confident36 Ų3651 Ų5114%0.14128%0.278CS..Hα-helixtrans-76-29.6175.3-177.4-122.4000112.9F12 T35 F36 N152 W155 F156F12-Y32 AromaticContact CE2-CD1 3.83Å; F12-Y32 HydrophobicContact CE2-CD1 3.83Å; F12-Y32 AromaticContact CE2-CG 3.98Å; F12-Y32 HydrophobicContact CE2-CG 3.98Å; F12-Y32 AromaticContact CZ-CD1 3.83Å; F12-Y32 HydrophobicContact CZ-CD1 3.83Å; F12-Y32 HydrophobicContact CZ-CE1 4.24Å; F12-Y32 HydrophobicContact CZ-CG 4.31Å; Y32-T35 WeakPolarHBondContact O-CB 3.43Å; Y32-T35 PolarHBondContact O-N 2.99Å; Y32-T35 VanDerWaalsContact O-N 3.11Å; Y32-F36 HydrophobicContact CD1-CB 4.4Å; Y32-F36 HydrophobicContact CE1-CB 4.01Å; Y32-F36 HydrophobicContact CE1-CD2 4.32Å; Y32-F36 HydrophobicContact CE1-CG 4.4Å; Y32-F36 PolarHBondContact O-N 2.83Å; Y32-N152 PolarHBondContact OH-OD1 2.88Å; Y32-W155 AromaticContact CD2-CD2 3.62Å; Y32-W155 HydrophobicContact CD2-CD2 3.62Å; Y32-W155 AromaticContact CD2-CE3 3.48Å; Y32-W155 HydrophobicContact CD2-CE3 3.48Å; Y32-W155 VanDerWaalsContact CD2-CE3 3.48Å; Y32-W155 HydrophobicContact CD2-CG 4.19Å; Y32-W155 HydrophobicContact CD2-CH2 4.3Å; Y32-W155 HydrophobicContact CD2-CZ2 4.39Å; Y32-W155 AromaticContact CD2-CZ3 3.83Å; Y32-W155 HydrophobicContact CD2-CZ3 3.83Å; Y32-W155 HydrophobicContact CE2-CD2 4.43Å; Y32-W155 HydrophobicContact CE2-CE3 4.19Å; Y32-W155 HydrophobicContact CG-CD2 4.49Å; Y32-W155 HydrophobicContact CG-CE3 4.26Å; Y32-W155 HydrophobicContact CG-CH2 4.32Å; Y32-W155 HydrophobicContact CG-CZ3 4.16Å; Y32-F156 HydrophobicContact CD2-CZ 4.38Å; Y32-F156 HydrophobicContact CE2-CE2 4.01Å; Y32-F156 HydrophobicContact CE2-CZ 4.01Å
33L86.6Confident87.7Confident47 Ų4750.7 Ų50.725%0.24628%0.283CS..Hα-helixtrans-57.7-42.2-172.4-161.872.3000113.7M1 L4 L8 F36 A37M1-L33 HydrophobicContact CG-CD2 4.02Å; M1-L33 HydrophobicContact SD-CD2 4.46Å; L4-L33 HydrophobicContact CD2-CD1 4.35Å; L4-L33 HydrophobicContact CD2-CD2 4.31Å; L8-L33 HydrophobicContact CD1-CD1 4.46Å; L33-F36 PolarHBondContact O-N 3.3Å; L33-A37 VanDerWaalsContact O-CB 3.29Å; L33-A37 WeakPolarHBondContact O-CB 3.2Å; L33-A37 PolarHBondContact O-N 3.39Å
34P89.5Confident88.3Confident50 Ų5054.9 Ų54.933%0.32531%0.305SS..Hα-helixtrans-59.5-45.2173.7-25.135.9000113.4L28 N31 F36 A37 L38L28-P34 HydrophobicContact CD2-CB 3.76Å; N31-P34 HydrophobicContact CB-CG 4.21Å; N31-P34 WeakPolarHBondContact O-CD 3.41Å; P34-F36 PolarHBondContact O-N 3.02Å; P34-A37 PolarHBondContact O-N 2.9Å; P34-L38 WeakPolarHBondContact O-CB 3.38Å; P34-L38 VanDerWaalsContact O-CG 3.26Å; P34-L38 WeakPolarHBondContact O-CG 3.31Å; P34-L38 PolarHBondContact O-N 2.94Å
35T89.1Confident89Confident0 Ų052.8 Ų52.80%030%0.296CS..Hα-helixtrans-63.1-42.9179-54.40000111.8Y32 L38 T39 Y117 L151 W155Y32-T35 WeakPolarHBondContact O-CB 3.43Å; Y32-T35 PolarHBondContact O-N 2.99Å; Y32-T35 VanDerWaalsContact O-N 3.11Å; T35-L38 PolarHBondContact O-N 3.32Å; T35-T39 PolarHBondContact O-N 2.97Å; T35-T39 PolarHBondContact O-OG1 3.42Å; T35-Y117 HydrophobicContact CG2-CE2 4.38Å; T35-Y117 PolarHBondContact OG1-OH 3.05Å; T35-L151 HydrophobicContact CG2-CD2 4.06Å; T35-L151 HydrophobicContact CG2-CG 3.81Å; T35-W155 HydrophobicContact CG2-CB 4.09Å; T35-W155 HydrophobicContact CG2-CG 4.33Å; T35-W155 VanDerWaalsContact OG1-CD1 3.25Å
36F89.8Confident89.7Confident100 Ų10050.8 Ų50.844%0.43927%0.272SS..Hα-helixtrans-63.4-45.9174.6-177.8-105.9000111.5Y32 L33 P34 L38 T39 V40Y32-F36 HydrophobicContact CD1-CB 4.4Å; Y32-F36 HydrophobicContact CE1-CB 4.01Å; Y32-F36 HydrophobicContact CE1-CD2 4.32Å; Y32-F36 HydrophobicContact CE1-CG 4.4Å; Y32-F36 PolarHBondContact O-N 2.83Å; L33-F36 PolarHBondContact O-N 3.3Å; P34-F36 PolarHBondContact O-N 3.02Å; F36-L38 PolarHBondContact O-N 3.24Å; F36-T39 WeakPolarHBondContact O-CB 3.27Å; F36-T39 PolarHBondContact O-N 3.44Å; F36-T39 VanDerWaalsContact O-N 3.13Å; F36-V40 HydrophobicContact CD1-CG2 4.21Å; F36-V40 HydrophobicContact CE1-CG2 3.78Å; F36-V40 HydrophobicContact CE2-CG2 4.23Å; F36-V40 HydrophobicContact CZ-CG2 3.79Å; F36-V40 WeakPolarHBondContact O-CG2 3.16Å; F36-V40 PolarHBondContact O-N 2.9Å
37A92.7Very high90Very high55 Ų5556.2 Ų56.246%0.45529%0.29SS..Hα-helixtrans-60.6-42.1177.800000112.4L33 P34 T39 V40 M41L33-A37 VanDerWaalsContact O-CB 3.29Å; L33-A37 WeakPolarHBondContact O-CB 3.2Å; L33-A37 PolarHBondContact O-N 3.39Å; P34-A37 PolarHBondContact O-N 2.9Å; A37-T39 VanDerWaalsContact C-N 3.31Å; A37-T39 PolarHBondContact O-N 3.31Å; A37-V40 PolarHBondContact O-N 3.39Å; A37-M41 VanDerWaalsContact O-CB 3.31Å; A37-M41 WeakPolarHBondContact O-CB 3.44Å; A37-M41 PolarHBondContact O-N 3.16Å
38L93.4Very high90.4Very high39 Ų3955 Ų5520%0.20428%0.284CS..Hα-helixtrans-62.2-38.5175-71.3167.5000111.7L28 P34 T35 F36 M41 Y42 L121 L151L28-L38 HydrophobicContact CD1-CD1 4.37Å; L28-L38 HydrophobicContact CD2-CD1 4.41Å; P34-L38 WeakPolarHBondContact O-CB 3.38Å; P34-L38 VanDerWaalsContact O-CG 3.26Å; P34-L38 WeakPolarHBondContact O-CG 3.31Å; P34-L38 PolarHBondContact O-N 2.94Å; T35-L38 PolarHBondContact O-N 3.32Å; F36-L38 PolarHBondContact O-N 3.24Å; L38-M41 HydrophobicContact CD2-CE 3.79Å; L38-Y42 WeakPolarHBondContact O-CB 3.47Å; L38-Y42 PolarHBondContact O-N 2.99Å; L38-L121 HydrophobicContact CB-CD1 4.22Å; L38-L121 HydrophobicContact CD1-CD1 3.81Å; L38-L121 HydrophobicContact CD1-CD2 3.97Å; L38-L121 HydrophobicContact CD2-CD1 4.22Å; L38-L121 HydrophobicContact CG-CD1 4.31Å; L38-L151 HydrophobicContact CB-CD2 4.4Å
39T93.3Very high90.7Very high10 Ų1053.5 Ų53.56%0.06128%0.278CS..Hα-helixtrans-66.7-45.2175.6-54.10000111.8T35 F36 A37 M41 Y42 L43 A148 N152T35-T39 PolarHBondContact O-N 2.97Å; T35-T39 PolarHBondContact O-OG1 3.42Å; F36-T39 WeakPolarHBondContact O-CB 3.27Å; F36-T39 PolarHBondContact O-N 3.44Å; F36-T39 VanDerWaalsContact O-N 3.13Å; A37-T39 VanDerWaalsContact C-N 3.31Å; A37-T39 PolarHBondContact O-N 3.31Å; T39-M41 VanDerWaalsContact C-N 3.33Å; T39-M41 PolarHBondContact O-N 2.92Å; T39-Y42 WeakPolarHBondContact O-CB 3.34Å; T39-Y42 PolarHBondContact O-N 3.29Å; T39-L43 HydrophobicContact CG2-CD1 4.48Å; T39-L43 WeakPolarHBondContact O-CG 3.12Å; T39-L43 PolarHBondContact O-N 2.96Å; T39-A148 HydrophobicContact CG2-CB 4.11Å; T39-N152 WeakPolarHBondContact CG2-ND2 3.28Å; T39-N152 PolarHBondContact OG1-ND2 3.29Å
40V94.1Very high91Very high58 Ų5855.3 Ų55.335%0.35229%0.29SS..Hα-helixtrans-61.8-44.8176.4171.80000110.4F36 A37 Y42 L43 L44F36-V40 HydrophobicContact CD1-CG2 4.21Å; F36-V40 HydrophobicContact CE1-CG2 3.78Å; F36-V40 HydrophobicContact CE2-CG2 4.23Å; F36-V40 HydrophobicContact CZ-CG2 3.79Å; F36-V40 WeakPolarHBondContact O-CG2 3.16Å; F36-V40 PolarHBondContact O-N 2.9Å; A37-V40 PolarHBondContact O-N 3.39Å; V40-Y42 VanDerWaalsContact C-N 3.33Å; V40-Y42 PolarHBondContact O-N 2.75Å; V40-L43 PolarHBondContact O-N 3.27Å; V40-L44 HydrophobicContact CG1-CD1 4.08Å; V40-L44 HydrophobicContact CG1-CG 4.4Å; V40-L44 VanDerWaalsContact O-CG 3.31Å; V40-L44 WeakPolarHBondContact O-CG 3.31Å; V40-L44 PolarHBondContact O-N 3.09Å
41M94.8Very high91.5Very high96 Ų9657.7 Ų57.747%0.47330%0.297SS..Hα-helixtrans-59.1-44.2175.5-175.9-173.667.800111.5A37 L38 T39 L44 I45A37-M41 VanDerWaalsContact O-CB 3.31Å; A37-M41 WeakPolarHBondContact O-CB 3.44Å; A37-M41 PolarHBondContact O-N 3.16Å; L38-M41 HydrophobicContact CD2-CE 3.79Å; T39-M41 VanDerWaalsContact C-N 3.33Å; T39-M41 PolarHBondContact O-N 2.92Å; M41-L44 PolarHBondContact O-N 2.95Å; M41-I45 HydrophobicContact CG-CD1 4.01Å; M41-I45 VanDerWaalsContact O-CG1 3.31Å; M41-I45 WeakPolarHBondContact O-CG1 3.46Å; M41-I45 PolarHBondContact O-N 3.24Å
42Y94.7Very high91.9Very high8 Ų861.9 Ų61.93%0.03131%0.31CS..Hα-helixtrans-56.6-50.6174.2168.6-101.6000111.7L38 T39 V40 L44 I45 V46 F124 T127 V144 H147 A148L38-Y42 WeakPolarHBondContact O-CB 3.47Å; L38-Y42 PolarHBondContact O-N 2.99Å; T39-Y42 WeakPolarHBondContact O-CB 3.34Å; T39-Y42 PolarHBondContact O-N 3.29Å; V40-Y42 VanDerWaalsContact C-N 3.33Å; V40-Y42 PolarHBondContact O-N 2.75Å; Y42-L44 VanDerWaalsContact C-N 3.32Å; Y42-L44 PolarHBondContact O-N 2.8Å; Y42-I45 WeakPolarHBondContact O-CB 3.36Å; Y42-I45 PolarHBondContact O-N 2.99Å; Y42-I45 VanDerWaalsContact O-N 3.16Å; Y42-V46 HydrophobicContact CD1-CG2 4.48Å; Y42-V46 HydrophobicContact CD2-CG2 4.29Å; Y42-V46 HydrophobicContact CE1-CG2 4.05Å; Y42-V46 HydrophobicContact CE2-CG2 3.86Å; Y42-V46 WeakPolarHBondContact O-CG2 3.4Å; Y42-V46 PolarHBondContact O-N 3.41Å; Y42-F124 HydrophobicContact CD2-CB 3.88Å; Y42-F124 AromaticContact CD2-CD1 3.97Å; Y42-F124 HydrophobicContact CD2-CD1 3.97Å; Y42-F124 AromaticContact CD2-CD2 3.92Å; Y42-F124 HydrophobicContact CD2-CD2 3.92Å; Y42-F124 HydrophobicContact CD2-CE1 4.48Å; Y42-F124 HydrophobicContact CD2-CE2 4.41Å; Y42-F124 AromaticContact CD2-CG 3.66Å; Y42-F124 HydrophobicContact CD2-CG 3.66Å; Y42-F124 HydrophobicContact CE2-CB 4.26Å; Y42-F124 HydrophobicContact CE2-CD1 4.12Å; Y42-F124 HydrophobicContact CE2-CG 4.18Å; Y42-F124 HydrophobicContact CG-CD1 4.36Å; Y42-F124 HydrophobicContact CG-CD2 4.02Å; Y42-F124 HydrophobicContact CG-CE1 4.43Å; Y42-F124 HydrophobicContact CG-CE2 4.08Å; Y42-F124 HydrophobicContact CG-CG 4.15Å; Y42-F124 HydrophobicContact CG-CZ 4.28Å; Y42-T127 HydrophobicContact CE2-CG2 4.09Å; Y42-T127 VanDerWaalsContact CE2-OG1 3.29Å; Y42-T127 WeakPolarHBondContact CE2-OG1 3.43Å; Y42-T127 PolarHBondContact OH-OG1 2.95Å; Y42-V144 HydrophobicContact CE1-CG1 4.14Å; Y42-H147 HydrophobicContact CE1-CB 4.2Å; Y42-A148 HydrophobicContact CD1-CB 4.41Å; Y42-A148 HydrophobicContact CE1-CB 4.33Å
43L94.4Very high92.2Very high78 Ų7860.4 Ų60.441%0.40830%0.304SS..Hα-helixtrans-62.5-38.7179.1-67.7175.1000112.3T39 V40 V46 W47 V144 A148T39-L43 HydrophobicContact CG2-CD1 4.48Å; T39-L43 WeakPolarHBondContact O-CG 3.12Å; T39-L43 PolarHBondContact O-N 2.96Å; V40-L43 PolarHBondContact O-N 3.27Å; L43-V46 PolarHBondContact O-N 3.22Å; L43-W47 WeakPolarHBondContact O-CB 3.24Å; L43-W47 PolarHBondContact O-N 3.44Å; L43-V144 HydrophobicContact CD2-CG1 3.74Å; L43-A148 HydrophobicContact CD2-CB 4.13Å
44L94.9Very high92.3Very high89 Ų8965.3 Ų65.347%0.46632%0.324SS..Hα-helixtrans-62.5-43.4173.9-72.1173.9000111.6V40 M41 Y42 V46 W47 L48V40-L44 HydrophobicContact CG1-CD1 4.08Å; V40-L44 HydrophobicContact CG1-CG 4.4Å; V40-L44 VanDerWaalsContact O-CG 3.31Å; V40-L44 WeakPolarHBondContact O-CG 3.31Å; V40-L44 PolarHBondContact O-N 3.09Å; M41-L44 PolarHBondContact O-N 2.95Å; Y42-L44 VanDerWaalsContact C-N 3.32Å; Y42-L44 PolarHBondContact O-N 2.8Å; L44-V46 VanDerWaalsContact C-N 3.35Å; L44-W47 PolarHBondContact O-N 3.11Å; L44-L48 VanDerWaalsContact O-CB 3.27Å; L44-L48 WeakPolarHBondContact O-CB 3.33Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.15Å
45I93.9Very high92.3Very high67 Ų6770.9 Ų70.934%0.34435%0.345SS..Hα-helixtrans-62.7-42.7175.4-70162.4000110.7M41 Y42 W47 G49 F128 I131M41-I45 HydrophobicContact CG-CD1 4.01Å; M41-I45 VanDerWaalsContact O-CG1 3.31Å; M41-I45 WeakPolarHBondContact O-CG1 3.46Å; M41-I45 PolarHBondContact O-N 3.24Å; Y42-I45 WeakPolarHBondContact O-CB 3.36Å; Y42-I45 PolarHBondContact O-N 2.99Å; Y42-I45 VanDerWaalsContact O-N 3.16Å; I45-W47 VanDerWaalsContact C-N 3.3Å; I45-W47 PolarHBondContact O-N 3.45Å; I45-G49 WeakPolarHBondContact O-CA 3.47Å; I45-G49 PolarHBondContact O-N 2.85Å; I45-F128 HydrophobicContact CG2-CD2 4.45Å; I45-I131 HydrophobicContact CG2-CD1 3.93Å
46V93.4Very high92.3Very high21 Ų2176.1 Ų76.113%0.12737%0.365CS..Hα-helixtrans-63.6-36.2177.5173.10000112Y42 L43 L44 P50 T127 I139 V144Y42-V46 HydrophobicContact CD1-CG2 4.48Å; Y42-V46 HydrophobicContact CD2-CG2 4.29Å; Y42-V46 HydrophobicContact CE1-CG2 4.05Å; Y42-V46 HydrophobicContact CE2-CG2 3.86Å; Y42-V46 WeakPolarHBondContact O-CG2 3.4Å; Y42-V46 PolarHBondContact O-N 3.41Å; L43-V46 PolarHBondContact O-N 3.22Å; L44-V46 VanDerWaalsContact C-N 3.35Å; V46-P50 WeakPolarHBondContact O-CD 3.42Å; V46-P50 WeakPolarHBondContact O-CG 3.31Å; V46-T127 HydrophobicContact CG2-CG2 3.58Å; V46-I139 HydrophobicContact CG1-CG2 3.96Å; V46-V144 HydrophobicContact CG1-CG1 4.35Å; V46-V144 HydrophobicContact CG1-CG2 3.8Å
47W91.3Very high92.3Very high157 Ų15779 Ų7960%0.59538%0.38SS*.Hα-helixtrans-80.6-42.5179.9-175.776.4000113.5L43 L44 I45L43-W47 WeakPolarHBondContact O-CB 3.24Å; L43-W47 PolarHBondContact O-N 3.44Å; L44-W47 PolarHBondContact O-N 3.11Å; I45-W47 VanDerWaalsContact C-N 3.3Å; I45-W47 PolarHBondContact O-N 3.45Å
48L93.3Very high92.1Very high87 Ų8779.6 Ų79.646%0.45538%0.379SS..Hα-helixtrans-82.6-35.5-178.9-69.6171.8000112.7L44 K51 Y52L44-L48 VanDerWaalsContact O-CB 3.27Å; L44-L48 WeakPolarHBondContact O-CB 3.33Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.15Å; L48-K51 WeakPolarHBondContact O-CB 3.41Å; L48-K51 PolarHBondContact O-N 2.99Å; L48-K51 VanDerWaalsContact O-N 3.09Å; L48-Y52 WeakPolarHBondContact O-CB 3.39Å; L48-Y52 PolarHBondContact O-N 2.84Å
49G91.1Very high91.8Very high10 Ų1082.9 Ų82.910%0.10339%0.389CS..Hα-helixtrans-56.1-51.8-172.400000113.8I45 K51 Y52 M53 I131I45-G49 WeakPolarHBondContact O-CA 3.47Å; I45-G49 PolarHBondContact O-N 2.85Å; G49-K51 VanDerWaalsContact C-N 3.29Å; G49-K51 PolarHBondContact O-N 2.73Å; G49-Y52 PolarHBondContact O-N 2.73Å; G49-M53 WeakPolarHBondContact O-CB 3.23Å; G49-M53 WeakPolarHBondContact O-CG 3.44Å; G49-M53 PolarHBondContact O-N 3.3Å; G49-I131 VanDerWaalsContact C-CG2 3.46Å
50P90.6Very high91Very high38 Ų3886.4 Ų86.425%0.24742%0.415CS..Hα-helixtrans-61.5-35176-25.335.5000113.3V46 K54 I131V46-P50 WeakPolarHBondContact O-CD 3.42Å; V46-P50 WeakPolarHBondContact O-CG 3.31Å; P50-K54 PolarHBondContact O-N 2.9Å; P50-I131 HydrophobicContact CG-CG1 4.41Å
51K91.6Very high90.4Very high113 Ų11385.8 Ų85.849%0.49141%0.413SS..Hα-helixtrans-67.3-43.9176.6-62.6-177.7-177.2-179.60111.1L48 G49 K54L48-K51 WeakPolarHBondContact O-CB 3.41Å; L48-K51 PolarHBondContact O-N 2.99Å; L48-K51 VanDerWaalsContact O-N 3.09Å; G49-K51 VanDerWaalsContact C-N 3.29Å; G49-K51 PolarHBondContact O-N 2.73Å; K51-K54 VanDerWaalsContact O-CB 3.26Å; K51-K54 WeakPolarHBondContact O-CB 3.5Å; K51-K54 PolarHBondContact O-N 3.46Å
52Y91.6Very high89.9Confident141 Ų14186.9 Ų86.955%0.55341%0.411SS*.Hα-helixtrans-64.1-42176.7177.2-104.5000112.2L48 G49 K54 R56L48-Y52 WeakPolarHBondContact O-CB 3.39Å; L48-Y52 PolarHBondContact O-N 2.84Å; G49-Y52 PolarHBondContact O-N 2.73Å; Y52-K54 VanDerWaalsContact C-N 3.26Å; Y52-K54 PolarHBondContact O-N 3.41Å; Y52-R56 PolarHBondContact OH-NE 3.39Å; Y52-R56 PolarHBondContact OH-NH1 3.21Å; Y52-R56 PolarHBondContact OH-NH2 2.87Å
53M91.8Very high89.5Confident4 Ų489.3 Ų89.32%0.0244%0.439CS..Hα-helixtrans-74.4-12.1179.6-72.7-62.5-63.800113.6G49 H55 R56 Y59 I131 L132 K134G49-M53 WeakPolarHBondContact O-CB 3.23Å; G49-M53 WeakPolarHBondContact O-CG 3.44Å; G49-M53 PolarHBondContact O-N 3.3Å; M53-H55 PolarHBondContact O-N 3.38Å; M53-H55 VanDerWaalsContact O-N 3.14Å; M53-R56 HydrophobicContact CE-CB 4.38Å; M53-R56 PolarHBondContact O-N 3.09Å; M53-R56 VanDerWaalsContact O-N 3.09Å; M53-R56 HydrophobicContact SD-CB 4.33Å; M53-Y59 HydrophobicContact CE-CD2 3.84Å; M53-Y59 HydrophobicContact CE-CE2 3.99Å; M53-Y59 HydrophobicContact SD-CD2 4.4Å; M53-Y59 HydrophobicContact SD-CE2 4.11Å; M53-I131 HydrophobicContact CG-CG2 3.92Å; M53-L132 VanDerWaalsContact CE-O 3.27Å; M53-L132 WeakPolarHBondContact CE-O 3.31Å; M53-L132 HydrophobicContact SD-CD2 4.29Å; M53-K134 HydrophobicContact CE-CG 4.38Å; M53-K134 WeakPolarHBondContact O-CE 3.38Å; M53-K134 PolarHBondContact O-NZ 3.3Å
54K89.3Confident89.4Confident151 Ų15190.3 Ų90.366%0.65744%0.444SS*.THydrogen-bonded Turntrans-50.3-44.2-177.1-171178.3-179.5-176.20112.6P50 K51 Y52 K134P50-K54 PolarHBondContact O-N 2.9Å; K51-K54 VanDerWaalsContact O-CB 3.26Å; K51-K54 WeakPolarHBondContact O-CB 3.5Å; K51-K54 PolarHBondContact O-N 3.46Å; Y52-K54 VanDerWaalsContact C-N 3.26Å; Y52-K54 PolarHBondContact O-N 3.41Å; K54-K134 PolarHBondContact O-NZ 3Å
55H90.2Very high89.1Confident167 Ų16786.6 Ų86.677%0.77342%0.424SS*.THydrogen-bonded Turntrans-97.74.3-175.5-59.2-74.3000114.6M53M53-H55 PolarHBondContact O-N 3.38Å; M53-H55 VanDerWaalsContact O-N 3.14Å
56R89.2Confident89Confident110 Ų11085.7 Ų85.742%0.41542%0.422SS..SBendtrans-109161.1-178.7-64.9-169.3176.1-129.1-3.1111.8Y52 M53 K134Y52-R56 PolarHBondContact OH-NE 3.39Å; Y52-R56 PolarHBondContact OH-NH1 3.21Å; Y52-R56 PolarHBondContact OH-NH2 2.87Å; M53-R56 HydrophobicContact CE-CB 4.38Å; M53-R56 PolarHBondContact O-N 3.09Å; M53-R56 VanDerWaalsContact O-N 3.09Å; M53-R56 HydrophobicContact SD-CB 4.33Å; R56-K134 WeakPolarHBondContact O-CE 3.35Å; R56-K134 PolarHBondContact O-NZ 2.86Å
57Q88.1Confident89Confident159 Ų15990.1 Ų90.174%0.74344%0.444SS*.PPolyproline II helixtrans-78.5149.9171.9-67.3-64.1-9.800111
58P89.8Confident89.1Confident68 Ų6883.9 Ų83.944%0.44242%0.421SS..PPolyproline II helixtrans-67.1136.9177.628.5-33.2000110.9K134P58-K134 HydrophobicContact CB-CB 4.49Å; P58-K134 HydrophobicContact CB-CD 4.45Å; P58-K134 HydrophobicContact CB-CG 4.26Å
59Y85.8Confident89.1Confident108 Ų10880.4 Ų80.442%0.42440%0.403SS..PPolyproline II helixtrans-82.7130.2179.5-69.9-85.7000111.4M53 C61 L132M53-Y59 HydrophobicContact CE-CD2 3.84Å; M53-Y59 HydrophobicContact CE-CE2 3.99Å; M53-Y59 HydrophobicContact SD-CD2 4.4Å; M53-Y59 HydrophobicContact SD-CE2 4.11Å; Y59-C61 PolarHBondContact O-N 3Å; Y59-L132 HydrophobicContact CD2-CD2 4.02Å; Y59-L132 HydrophobicContact CE2-CD2 4.4Å; Y59-L132 PolarHBondContact N-O 3.49Å
60S77.1Confident89.3Confident85 Ų8584.6 Ų84.659%0.59442%0.422SS*.  trans-94.667.7177.1-178.20000111.9R62S60-R62 PolarHBondContact O-N 3.37Å
61C82.3Confident89.5Confident45 Ų4584.8 Ų84.830%0.30443%0.431SS..  trans-84.251.9178.1-59.80000112.6Y59 L64 M65Y59-C61 PolarHBondContact O-N 3Å; C61-L64 HydrophobicContact CB-CB 4.23Å; C61-L64 PolarHBondContact O-N 3.48Å; C61-M65 WeakPolarHBondContact O-CG 3.37Å; C61-M65 PolarHBondContact O-N 3.32Å
62R83.7Confident89.7Confident118 Ų11879.7 Ų79.745%0.44541%0.409SS..Hα-helixtrans-63-47.2-171.9-67.4-178.4-170.2175.50.3113.6S60 L64 M65 V66 P190S60-R62 PolarHBondContact O-N 3.37Å; R62-L64 VanDerWaalsContact C-N 3.33Å; R62-L64 PolarHBondContact O-N 3.31Å; R62-M65 HydrophobicContact CB-CE 4.4Å; R62-M65 HydrophobicContact CG-CE 4.08Å; R62-M65 PolarHBondContact O-N 2.86Å; R62-V66 WeakPolarHBondContact O-CG2 3.2Å; R62-V66 PolarHBondContact O-N 2.91Å; R62-P190 VanDerWaalsContact NH1-CG 3.33Å
63G87.1Confident89.9Confident59 Ų5973.8 Ų73.861%0.60839%0.388SS*.Hα-helixtrans-60.3-43.8178.400000112.1M65 V66 L67G63-M65 PolarHBondContact O-N 3.46Å; G63-V66 PolarHBondContact O-N 2.94Å; G63-L67 PolarHBondContact O-N 2.86Å
64L90.9Very high90.1Very high99 Ų9977.1 Ų77.152%0.51841%0.411SS..Hα-helixtrans-62.9-41.1176.9-172.763.5000112.1C61 R62 L67 Y68 F129C61-L64 HydrophobicContact CB-CB 4.23Å; C61-L64 PolarHBondContact O-N 3.48Å; R62-L64 VanDerWaalsContact C-N 3.33Å; R62-L64 PolarHBondContact O-N 3.31Å; L64-L67 PolarHBondContact O-N 2.9Å; L64-Y68 WeakPolarHBondContact O-CB 3.29Å; L64-Y68 PolarHBondContact O-N 3.45Å; L64-F129 HydrophobicContact CD2-CE1 3.97Å; L64-F129 HydrophobicContact CD2-CZ 4.08Å; L64-F129 HydrophobicContact CG-CE1 4.19Å; L64-F129 HydrophobicContact CG-CZ 3.98Å
65M89.3Confident90.4Very high11 Ų1171.3 Ų71.35%0.05439%0.387CS..Hα-helixtrans-63.9-40.5175-74.8-175.8-66.700112.3C61 R62 G63 Y68 N69 F129 R133C61-M65 WeakPolarHBondContact O-CG 3.37Å; C61-M65 PolarHBondContact O-N 3.32Å; R62-M65 HydrophobicContact CB-CE 4.4Å; R62-M65 HydrophobicContact CG-CE 4.08Å; R62-M65 PolarHBondContact O-N 2.86Å; G63-M65 PolarHBondContact O-N 3.46Å; M65-Y68 PolarHBondContact O-N 2.91Å; M65-N69 WeakPolarHBondContact O-CB 3.43Å; M65-N69 PolarHBondContact O-N 3.47Å; M65-N69 PolarHBondContact O-ND2 2.94Å; M65-F129 HydrophobicContact CG-CD1 3.71Å; M65-F129 HydrophobicContact CG-CD2 4.42Å; M65-F129 HydrophobicContact CG-CE1 3.89Å; M65-F129 HydrophobicContact CG-CG 4.02Å; M65-F129 HydrophobicContact CG-CZ 4.32Å; M65-F129 HydrophobicContact SD-CD1 4.45Å; M65-R133 WeakPolarHBondContact SD-CD 3.3Å; M65-R133 PolarHBondContact SD-NH1 3.28Å; M65-R133 VanDerWaalsContact SD-NH1 3.42Å
66V90.8Very high90.6Very high48 Ų4863.4 Ų63.429%0.29135%0.351SS..Hα-helixtrans-62.8-48.3177172.80000110R62 G63 Y68 N69 L70 A188 I189R62-V66 WeakPolarHBondContact O-CG2 3.2Å; R62-V66 PolarHBondContact O-N 2.91Å; G63-V66 PolarHBondContact O-N 2.94Å; V66-Y68 VanDerWaalsContact C-N 3.34Å; V66-Y68 PolarHBondContact O-N 3.13Å; V66-N69 PolarHBondContact O-N 2.98Å; V66-L70 VanDerWaalsContact O-CB 3.29Å; V66-L70 WeakPolarHBondContact O-CB 3.4Å; V66-L70 PolarHBondContact O-N 2.92Å; V66-A188 HydrophobicContact CG2-CB 3.68Å; V66-I189 HydrophobicContact CG2-CG1 4.25Å
67L93.6Very high91Very high115 Ų11564.1 Ų64.160%0.60236%0.357SS*.Hα-helixtrans-60.2-44.8178.3-17863.7000111.8G63 L64 L70 G71G63-L67 PolarHBondContact O-N 2.86Å; L64-L67 PolarHBondContact O-N 2.9Å; L67-L70 PolarHBondContact O-N 3.49Å; L67-G71 PolarHBondContact O-N 3.33Å
68Y94.2Very high91.4Very high26 Ų2660.9 Ų60.910%0.10234%0.338CS..Hα-helixtrans-61.9-51.9177.1166.7-92.9000111.9L64 M65 V66 L70 G71 V72 I122 I125 D126 F129 Y181L64-Y68 WeakPolarHBondContact O-CB 3.29Å; L64-Y68 PolarHBondContact O-N 3.45Å; M65-Y68 PolarHBondContact O-N 2.91Å; V66-Y68 VanDerWaalsContact C-N 3.34Å; V66-Y68 PolarHBondContact O-N 3.13Å; Y68-L70 VanDerWaalsContact C-N 3.27Å; Y68-L70 PolarHBondContact O-N 3.07Å; Y68-G71 PolarHBondContact O-N 3.26Å; Y68-G71 VanDerWaalsContact O-N 3.13Å; Y68-V72 HydrophobicContact CD2-CG2 4.2Å; Y68-V72 HydrophobicContact CE1-CG2 4.11Å; Y68-V72 HydrophobicContact CE2-CG2 3.75Å; Y68-V72 WeakPolarHBondContact O-CG2 3.46Å; Y68-V72 PolarHBondContact O-N 2.9Å; Y68-I122 HydrophobicContact CE2-CG2 3.9Å; Y68-I122 PolarHBondContact OH-O 3.28Å; Y68-I125 HydrophobicContact CD2-CB 4.49Å; Y68-I125 HydrophobicContact CD2-CG2 4.19Å; Y68-I125 HydrophobicContact CE2-CB 3.75Å; Y68-I125 HydrophobicContact CE2-CD1 4.18Å; Y68-I125 HydrophobicContact CE2-CG2 3.92Å; Y68-D126 WeakPolarHBondContact CE1-OD1 3.45Å; Y68-D126 VanDerWaalsContact OH-CG 3.23Å; Y68-D126 PolarHBondContact OH-OD1 2.85Å; Y68-F129 HydrophobicContact CD1-CD2 4.16Å; Y68-F129 AromaticContact CD1-CE2 3.69Å; Y68-F129 HydrophobicContact CD1-CE2 3.69Å; Y68-F129 HydrophobicContact CD2-CE2 4.03Å; Y68-F129 HydrophobicContact CE1-CD2 4.33Å; Y68-F129 HydrophobicContact CE1-CE2 4.19Å; Y68-F129 HydrophobicContact CE2-CE2 4.47Å; Y68-F129 HydrophobicContact CG-CD2 4.48Å; Y68-F129 AromaticContact CG-CE2 3.6Å; Y68-F129 HydrophobicContact CG-CE2 3.6Å; Y68-F129 HydrophobicContact CG-CZ 4.36Å; Y68-Y181 HydrophobicContact CE1-CE1 4.41Å
69N93.7Very high91.6Very high13 Ų1357.7 Ų57.77%0.0732%0.318CS..Hα-helixtrans-62.2-37.2179.9-75.2-62.9000111.4M65 V66 T73 Y181 Y184M65-N69 WeakPolarHBondContact O-CB 3.43Å; M65-N69 PolarHBondContact O-N 3.47Å; M65-N69 PolarHBondContact O-ND2 2.94Å; V66-N69 PolarHBondContact O-N 2.98Å; N69-T73 VanDerWaalsContact O-CB 3.3Å; N69-T73 WeakPolarHBondContact O-CB 3.29Å; N69-T73 PolarHBondContact O-N 3.43Å; N69-T73 PolarHBondContact O-OG1 3.49Å; N69-Y181 WeakPolarHBondContact OD1-CD1 3.34Å; N69-Y184 WeakPolarHBondContact OD1-CB 3.38Å
70L94.3Very high92Very high98 Ų9853.8 Ų53.851%0.51331%0.306SS..Hα-helixtrans-64-46.5173.9-178.663.8000111.1V66 L67 Y68 V72 T73 C74V66-L70 VanDerWaalsContact O-CB 3.29Å; V66-L70 WeakPolarHBondContact O-CB 3.4Å; V66-L70 PolarHBondContact O-N 2.92Å; L67-L70 PolarHBondContact O-N 3.49Å; Y68-L70 VanDerWaalsContact C-N 3.27Å; Y68-L70 PolarHBondContact O-N 3.07Å; L70-V72 PolarHBondContact O-N 2.93Å; L70-T73 WeakPolarHBondContact O-CB 3.41Å; L70-T73 PolarHBondContact O-N 3.25Å; L70-C74 PolarHBondContact O-N 3Å; L70-C74 PolarHBondContact O-SG 2.83Å; L70-C74 VanDerWaalsContact O-SG 3.33Å
71G95.1Very high92.8Very high42 Ų4256 Ų5643%0.43330%0.302SS..Hα-helixtrans-58.6-47.6177.100000112.6L67 Y68 T73 C74 L75L67-G71 PolarHBondContact O-N 3.33Å; Y68-G71 PolarHBondContact O-N 3.26Å; Y68-G71 VanDerWaalsContact O-N 3.13Å; G71-T73 VanDerWaalsContact C-N 3.32Å; G71-T73 PolarHBondContact O-N 3.32Å; G71-C74 PolarHBondContact O-N 3.43Å; G71-L75 WeakPolarHBondContact O-CB 3.42Å; G71-L75 PolarHBondContact O-N 3.23Å
72V95.4Very high93.3Very high6 Ų655.5 Ų55.54%0.03630%0.295CS..Hα-helixtrans-65.8-36.2176.9-177.80000111.4Y68 L70 L75 S76 I122 Y181Y68-V72 HydrophobicContact CD2-CG2 4.2Å; Y68-V72 HydrophobicContact CE1-CG2 4.11Å; Y68-V72 HydrophobicContact CE2-CG2 3.75Å; Y68-V72 WeakPolarHBondContact O-CG2 3.46Å; Y68-V72 PolarHBondContact O-N 2.9Å; L70-V72 PolarHBondContact O-N 2.93Å; V72-L75 PolarHBondContact O-N 3.44Å; V72-S76 VanDerWaalsContact O-CB 3.28Å; V72-S76 WeakPolarHBondContact O-CB 3.31Å; V72-S76 PolarHBondContact O-N 3.45Å; V72-S76 PolarHBondContact O-OG 3.12Å; V72-I122 HydrophobicContact CG2-CG2 4.01Å; V72-Y181 HydrophobicContact CB-CD1 4.14Å; V72-Y181 HydrophobicContact CB-CD2 4.3Å; V72-Y181 HydrophobicContact CB-CE1 4.41Å; V72-Y181 HydrophobicContact CB-CG 4.1Å; V72-Y181 HydrophobicContact CG1-CD1 3.95Å; V72-Y181 HydrophobicContact CG1-CD2 3.42Å; V72-Y181 VanDerWaalsContact CG1-CD2 3.42Å; V72-Y181 HydrophobicContact CG1-CE1 3.97Å; V72-Y181 HydrophobicContact CG1-CE2 3.43Å; V72-Y181 VanDerWaalsContact CG1-CE2 3.43Å; V72-Y181 HydrophobicContact CG1-CG 3.71Å
73T95.7Very high93.6Very high17 Ų1749.9 Ų49.910%0.10427%0.274CS..Hα-helixtrans-62.3-48.3174.1-59.60000111.2N69 L70 G71 L75 S76 F77 V178 Y181 S182N69-T73 VanDerWaalsContact O-CB 3.3Å; N69-T73 WeakPolarHBondContact O-CB 3.29Å; N69-T73 PolarHBondContact O-N 3.43Å; N69-T73 PolarHBondContact O-OG1 3.49Å; L70-T73 WeakPolarHBondContact O-CB 3.41Å; L70-T73 PolarHBondContact O-N 3.25Å; G71-T73 VanDerWaalsContact C-N 3.32Å; G71-T73 PolarHBondContact O-N 3.32Å; T73-L75 PolarHBondContact O-N 2.8Å; T73-S76 PolarHBondContact O-N 3.02Å; T73-F77 WeakPolarHBondContact O-CB 3.43Å; T73-F77 PolarHBondContact O-N 3.15Å; T73-V178 HydrophobicContact CG2-CG1 4.16Å; T73-Y181 WeakPolarHBondContact OG1-CB 3.47Å; T73-S182 VanDerWaalsContact CG2-OG 3.29Å; T73-S182 WeakPolarHBondContact CG2-OG 3.45Å; T73-S182 PolarHBondContact OG1-N 3.34Å
74C96.4Very high93.8Very high74 Ų7449.5 Ų49.550%0.527%0.265SS..Hα-helixtrans-62.8-42.7178.1-68.20000111.8L70 G71 F77 Y78L70-C74 PolarHBondContact O-N 3Å; L70-C74 PolarHBondContact O-SG 2.83Å; L70-C74 VanDerWaalsContact O-SG 3.33Å; G71-C74 PolarHBondContact O-N 3.43Å; C74-F77 PolarHBondContact O-N 3.34Å; C74-Y78 WeakPolarHBondContact O-CB 3.26Å; C74-Y78 PolarHBondContact O-N 2.88Å
75L95.6Very high93.7Very high30 Ų3046 Ų4616%0.15725%0.248CC..Hα-helixtrans-61.6-45.2175.3-178.462.5000111.1G71 V72 T73 F77 Y78 M79 W115 I122G71-L75 WeakPolarHBondContact O-CB 3.42Å; G71-L75 PolarHBondContact O-N 3.23Å; V72-L75 PolarHBondContact O-N 3.44Å; T73-L75 PolarHBondContact O-N 2.8Å; L75-F77 VanDerWaalsContact C-N 3.31Å; L75-F77 PolarHBondContact O-N 3.31Å; L75-Y78 HydrophobicContact CD1-CD1 4.49Å; L75-Y78 PolarHBondContact O-N 2.91Å; L75-M79 HydrophobicContact CG-CE 4.09Å; L75-M79 HydrophobicContact CG-SD 4.33Å; L75-M79 VanDerWaalsContact O-CG 3.29Å; L75-M79 WeakPolarHBondContact O-CG 3.42Å; L75-M79 PolarHBondContact O-N 3.35Å; L75-W115 HydrophobicContact CD1-CD2 4.46Å; L75-W115 HydrophobicContact CD1-CE3 3.97Å; L75-I122 HydrophobicContact CD2-CD1 3.92Å
76S95.5Very high93.5Very high1 Ų146 Ų461%0.00725%0.248CC..Hα-helixtrans-63.2-37.8177.3-57.60000112.1V72 T73 C80V72-S76 VanDerWaalsContact O-CB 3.28Å; V72-S76 WeakPolarHBondContact O-CB 3.31Å; V72-S76 PolarHBondContact O-N 3.45Å; V72-S76 PolarHBondContact O-OG 3.12Å; T73-S76 PolarHBondContact O-N 3.02Å; S76-C80 VanDerWaalsContact O-CB 3.25Å; S76-C80 WeakPolarHBondContact O-CB 3.41Å; S76-C80 PolarHBondContact O-N 3.36Å
77F95.9Very high93.2Very high125 Ų12544 Ų4455%0.54824%0.237SC..Hα-helixtrans-67.1-46.6176.4179.3-99.5000111.3T73 C74 L75 M79 C80 Y81 V178T73-F77 WeakPolarHBondContact O-CB 3.43Å; T73-F77 PolarHBondContact O-N 3.15Å; C74-F77 PolarHBondContact O-N 3.34Å; L75-F77 VanDerWaalsContact C-N 3.31Å; L75-F77 PolarHBondContact O-N 3.31Å; F77-M79 PolarHBondContact O-N 2.95Å; F77-C80 PolarHBondContact O-N 3.21Å; F77-Y81 VanDerWaalsContact O-CB 3.3Å; F77-Y81 WeakPolarHBondContact O-CB 3.33Å; F77-Y81 PolarHBondContact O-N 2.64Å; F77-V178 HydrophobicContact CB-CG2 3.87Å; F77-V178 VanDerWaalsContact N-CG2 3.29Å
78Y96.1Very high92.8Very high90 Ų9047.3 Ų47.335%0.35324%0.242SC..Hα-helixtrans-54.9-51.3174167.2-103.4000111.3C74 L75 C80 Y81 E82 W115C74-Y78 WeakPolarHBondContact O-CB 3.26Å; C74-Y78 PolarHBondContact O-N 2.88Å; L75-Y78 HydrophobicContact CD1-CD1 4.49Å; L75-Y78 PolarHBondContact O-N 2.91Å; Y78-C80 PolarHBondContact O-N 3.1Å; Y78-Y81 PolarHBondContact O-N 3.21Å; Y78-E82 HydrophobicContact CD2-CG 3.79Å; Y78-E82 HydrophobicContact CE1-CG 4.48Å; Y78-E82 HydrophobicContact CE2-CG 3.41Å; Y78-E82 VanDerWaalsContact CE2-CG 3.41Å; Y78-E82 HydrophobicContact CG-CG 4.47Å; Y78-E82 WeakPolarHBondContact O-CB 3.46Å; Y78-E82 WeakPolarHBondContact O-CG 3.35Å; Y78-E82 PolarHBondContact O-N 3.5Å; Y78-W115 HydrophobicContact CE1-CG 4.48Å
79M95Very high92.3Very high2 Ų255.6 Ų55.61%0.0127%0.274CS..Hα-helixtrans-61.1-44.6179.1-66.7-178.3-57.200112.1L75 F77 L83 V112 W115 Y116L75-M79 HydrophobicContact CG-CE 4.09Å; L75-M79 HydrophobicContact CG-SD 4.33Å; L75-M79 VanDerWaalsContact O-CG 3.29Å; L75-M79 WeakPolarHBondContact O-CG 3.42Å; L75-M79 PolarHBondContact O-N 3.35Å; F77-M79 PolarHBondContact O-N 2.95Å; M79-L83 WeakPolarHBondContact O-CB 3.48Å; M79-L83 WeakPolarHBondContact O-CG 3.14Å; M79-L83 PolarHBondContact O-N 3.2Å; M79-V112 HydrophobicContact CB-CG1 4Å; M79-V112 HydrophobicContact CG-CG1 4.05Å; M79-W115 HydrophobicContact CG-CB 4.26Å; M79-W115 VanDerWaalsContact SD-C 3.56Å; M79-W115 HydrophobicContact SD-CB 4.12Å; M79-Y116 HydrophobicContact CE-CD2 4.34Å; M79-Y116 WeakPolarHBondContact SD-CA 3.48Å; M79-Y116 HydrophobicContact SD-CD2 4.26Å; M79-Y116 PolarHBondContact SD-N 3.05Å; M79-Y116 VanDerWaalsContact SD-N 3.39Å
80C94.3Very high91.3Very high25 Ų2556.4 Ų56.417%0.16929%0.285CS..Hα-helixtrans-61.9-46.5178-175.20000111.9S76 F77 Y78 A84S76-C80 VanDerWaalsContact O-CB 3.25Å; S76-C80 WeakPolarHBondContact O-CB 3.41Å; S76-C80 PolarHBondContact O-N 3.36Å; F77-C80 PolarHBondContact O-N 3.21Å; Y78-C80 PolarHBondContact O-N 3.1Å; C80-A84 WeakPolarHBondContact O-CB 3.38Å; C80-A84 PolarHBondContact O-N 3.42Å
81Y93.6Very high90.3Very high133 Ų13354.6 Ų54.652%0.52229%0.29SS..Hα-helixtrans-64.3-48.5-179.3175.6-99.1000111.2F77 Y78 A84 T85F77-Y81 VanDerWaalsContact O-CB 3.3Å; F77-Y81 WeakPolarHBondContact O-CB 3.33Å; F77-Y81 PolarHBondContact O-N 2.64Å; Y78-Y81 PolarHBondContact O-N 3.21Å; Y81-A84 PolarHBondContact O-N 3.18Å; Y81-T85 HydrophobicContact CD1-CG2 4.46Å; Y81-T85 HydrophobicContact CD2-CG2 4.03Å; Y81-T85 HydrophobicContact CE1-CG2 4.13Å; Y81-T85 HydrophobicContact CE2-CG2 3.67Å; Y81-T85 HydrophobicContact CG-CG2 4.41Å; Y81-T85 WeakPolarHBondContact O-CB 3.49Å; Y81-T85 VanDerWaalsContact O-CG2 3.3Å; Y81-T85 WeakPolarHBondContact O-CG2 3.36Å; Y81-T85 PolarHBondContact O-N 3.39Å; Y81-T85 PolarHBondContact O-OG1 2.91Å
82E92.9Very high89.3Confident34 Ų3453 Ų5316%0.15927%0.271CS..Hα-helixtrans-67.1-42.5-178.3-71.4-68.1173.400112.3Y78 T85 T86 K108 V112Y78-E82 HydrophobicContact CD2-CG 3.79Å; Y78-E82 HydrophobicContact CE1-CG 4.48Å; Y78-E82 HydrophobicContact CE2-CG 3.41Å; Y78-E82 VanDerWaalsContact CE2-CG 3.41Å; Y78-E82 HydrophobicContact CG-CG 4.47Å; Y78-E82 WeakPolarHBondContact O-CB 3.46Å; Y78-E82 WeakPolarHBondContact O-CG 3.35Å; Y78-E82 PolarHBondContact O-N 3.5Å; E82-T85 PolarHBondContact O-OG1 3.46Å; E82-T86 WeakPolarHBondContact O-CB 3.29Å; E82-T86 PolarHBondContact O-N 2.89Å; E82-T86 PolarHBondContact O-OG1 3.16Å; E82-K108 WeakPolarHBondContact OE2-CE 3.45Å; E82-K108 IonicContact OE2-NZ 3.68Å; E82-K108 PolarHBondContact OE2-NZ 3.22Å; E82-V112 HydrophobicContact CB-CG1 4.24Å; E82-V112 HydrophobicContact CB-CG2 3.75Å; E82-V112 HydrophobicContact CG-CG2 4.41Å
83L90.8Very high88Confident0 Ų056.8 Ų56.80%029%0.291CS..Hα-helixtrans-64.8-42.6176.6-69.8169.9000111.5M79 A87 I109 V112 L113 A170 S171M79-L83 WeakPolarHBondContact O-CB 3.48Å; M79-L83 WeakPolarHBondContact O-CG 3.14Å; M79-L83 PolarHBondContact O-N 3.2Å; L83-A87 WeakPolarHBondContact O-CB 3.43Å; L83-A87 PolarHBondContact O-N 3.45Å; L83-I109 HydrophobicContact CD2-CB 4.5Å; L83-I109 HydrophobicContact CD2-CG1 4.32Å; L83-I109 HydrophobicContact CD2-CG2 4.05Å; L83-V112 HydrophobicContact CD1-CG1 4.29Å; L83-V112 HydrophobicContact CD2-CB 4.05Å; L83-V112 HydrophobicContact CD2-CG1 4.01Å; L83-V112 HydrophobicContact CG-CB 4.31Å; L83-V112 HydrophobicContact CG-CG1 3.73Å; L83-L113 HydrophobicContact CD1-CD2 4.34Å; L83-L113 HydrophobicContact CD2-CD2 4.14Å; L83-L113 HydrophobicContact CD2-CG 4.26Å; L83-A170 HydrophobicContact CD1-CB 3.95Å; L83-S171 WeakPolarHBondContact CB-OG 3.33Å
84A89.8Confident86.4Confident51 Ų5161.3 Ų61.342%0.42131%0.31SS..Hα-helixtrans-67.4-46.8-179.700000112.3C80 Y81 W88C80-A84 WeakPolarHBondContact O-CB 3.38Å; C80-A84 PolarHBondContact O-N 3.42Å; Y81-A84 PolarHBondContact O-N 3.18Å; A84-W88 WeakPolarHBondContact O-CB 3.5Å; A84-W88 PolarHBondContact O-N 3.3Å
85T88.7Confident84.8Confident25 Ų2565.4 Ų65.415%0.15332%0.316CS..Hα-helixtrans-67.4-43.5179.152.90000111.6Y81 E82 A87 W88 Y89Y81-T85 HydrophobicContact CD1-CG2 4.46Å; Y81-T85 HydrophobicContact CD2-CG2 4.03Å; Y81-T85 HydrophobicContact CE1-CG2 4.13Å; Y81-T85 HydrophobicContact CE2-CG2 3.67Å; Y81-T85 HydrophobicContact CG-CG2 4.41Å; Y81-T85 WeakPolarHBondContact O-CB 3.49Å; Y81-T85 VanDerWaalsContact O-CG2 3.3Å; Y81-T85 WeakPolarHBondContact O-CG2 3.36Å; Y81-T85 PolarHBondContact O-N 3.39Å; Y81-T85 PolarHBondContact O-OG1 2.91Å; E82-T85 PolarHBondContact O-OG1 3.46Å; T85-A87 VanDerWaalsContact C-N 3.34Å; T85-A87 PolarHBondContact O-N 3.09Å; T85-W88 PolarHBondContact O-N 3.38Å; T85-Y89 WeakPolarHBondContact O-CB 3.26Å; T85-Y89 WeakPolarHBondContact O-CD2 3.48Å; T85-Y89 PolarHBondContact O-N 2.92Å
86T86.6Confident83.2Confident10 Ų1064.6 Ų64.66%0.06131%0.312CS..Hα-helixtrans-65.2-39.1179.3-54.70000111.5E82 G90 A105 K108 I109E82-T86 WeakPolarHBondContact O-CB 3.29Å; E82-T86 PolarHBondContact O-N 2.89Å; E82-T86 PolarHBondContact O-OG1 3.16Å; T86-G90 VanDerWaalsContact O-CA 3.29Å; T86-G90 WeakPolarHBondContact O-CA 3.49Å; T86-G90 PolarHBondContact O-N 3.47Å; T86-A105 HydrophobicContact CG2-CB 3.94Å; T86-A105 WeakPolarHBondContact CG2-O 3.21Å; T86-K108 HydrophobicContact CG2-CB 3.98Å; T86-K108 HydrophobicContact CG2-CD 4.02Å; T86-K108 HydrophobicContact CG2-CG 4.11Å; T86-K108 VanDerWaalsContact OG1-CD 3.31Å; T86-K108 WeakPolarHBondContact OG1-CD 3.23Å; T86-K108 WeakPolarHBondContact OG1-CE 3.42Å; T86-K108 PolarHBondContact OG1-NZ 3.23Å; T86-I109 HydrophobicContact CG2-CD1 4.19Å; T86-I109 HydrophobicContact CG2-CG1 3.72Å
87A84.8Confident81.8Confident6 Ų665.2 Ų65.25%0.0532%0.315CS..Hα-helixtrans-65.5-42.9173.700000111.9L83 T85 G91 Y92 Y167L83-A87 WeakPolarHBondContact O-CB 3.43Å; L83-A87 PolarHBondContact O-N 3.45Å; T85-A87 VanDerWaalsContact C-N 3.34Å; T85-A87 PolarHBondContact O-N 3.09Å; A87-G91 PolarHBondContact O-N 3.23Å; A87-Y92 HydrophobicContact CB-CD1 4.27Å; A87-Y92 HydrophobicContact CB-CG 4.17Å; A87-Y92 WeakPolarHBondContact O-CB 3.2Å; A87-Y92 PolarHBondContact O-N 3.39Å; A87-Y167 HydrophobicContact CB-CD2 4.03Å; A87-Y167 HydrophobicContact CB-CE2 3.55Å
88W84.4Confident80.3Confident186 Ų18661.4 Ų61.471%0.70530%0.3SS*.Hα-helixtrans-66.9-52.1-178.9-170.4-91000112.7A84 T85 G90 G91 F94A84-W88 WeakPolarHBondContact O-CB 3.5Å; A84-W88 PolarHBondContact O-N 3.3Å; T85-W88 PolarHBondContact O-N 3.38Å; W88-G90 VanDerWaalsContact C-N 3.34Å; W88-G91 PolarHBondContact O-N 2.96Å; W88-F94 HydrophobicContact CE3-CE2 4.38Å; W88-F94 HydrophobicContact CE3-CZ 4.08Å; W88-F94 HydrophobicContact CZ3-CE2 4.19Å; W88-F94 HydrophobicContact CZ3-CZ 4.05Å
89Y82.9Confident78.6Confident200 Ų20058.5 Ų58.578%0.78429%0.292SS*.Hα-helixtrans-72.7-28178.8-69.8-66.1000112.7T85 G91T85-Y89 WeakPolarHBondContact O-CB 3.26Å; T85-Y89 WeakPolarHBondContact O-CD2 3.48Å; T85-Y89 PolarHBondContact O-N 2.92Å; Y89-G91 PolarHBondContact O-N 3.17Å
90G72.9Confident77Confident29 Ų2963.9 Ų63.930%0.29932%0.321SS..THydrogen-bonded Turntrans-77.80.2175.300000114.3T86 W88 Y92T86-G90 VanDerWaalsContact O-CA 3.29Å; T86-G90 WeakPolarHBondContact O-CA 3.49Å; T86-G90 PolarHBondContact O-N 3.47Å; W88-G90 VanDerWaalsContact C-N 3.34Å; G90-Y92 VanDerWaalsContact C-N 3.28Å; G90-Y92 PolarHBondContact O-N 2.69Å
91G74.3Confident75.4Confident60 Ų6066 Ų6662%0.61934%0.336SS*.THydrogen-bonded Turntrans63.630.9178.400000113.7A87 W88 Y89 N93A87-G91 PolarHBondContact O-N 3.23Å; W88-G91 PolarHBondContact O-N 2.96Å; Y89-G91 PolarHBondContact O-N 3.17Å; G91-N93 PolarHBondContact O-N 3.25Å
92Y73.6Confident74.2Confident10 Ų1060.5 Ų60.54%0.03932%0.318CS..  trans-61.6132.8-179.2-92.2-138.2000110.9A87 G90 F94 Q97 A102 A105 D106 I109 Y167A87-Y92 HydrophobicContact CB-CD1 4.27Å; A87-Y92 HydrophobicContact CB-CG 4.17Å; A87-Y92 WeakPolarHBondContact O-CB 3.2Å; A87-Y92 PolarHBondContact O-N 3.39Å; G90-Y92 VanDerWaalsContact C-N 3.28Å; G90-Y92 PolarHBondContact O-N 2.69Å; Y92-F94 PolarHBondContact O-N 3.21Å; Y92-Q97 HydrophobicContact CD1-CB 4.22Å; Y92-Q97 HydrophobicContact CD1-CG 3.56Å; Y92-Q97 HydrophobicContact CD2-CG 4.36Å; Y92-Q97 HydrophobicContact CE1-CG 3.6Å; Y92-Q97 HydrophobicContact CE2-CG 4.38Å; Y92-Q97 HydrophobicContact CG-CG 3.92Å; Y92-A102 HydrophobicContact CE2-CB 3.96Å; Y92-A105 HydrophobicContact CE2-CB 3.93Å; Y92-D106 PolarHBondContact OH-OD1 3.11Å; Y92-I109 HydrophobicContact CD1-CD1 4.07Å; Y92-I109 HydrophobicContact CE1-CD1 3.33Å; Y92-I109 HydrophobicContact CE2-CD1 4.03Å; Y92-I109 WeakPolarHBondContact OH-CD1 3.33Å; Y92-Y167 AromaticContact CD1-CD1 3.79Å; Y92-Y167 HydrophobicContact CD1-CD1 3.79Å; Y92-Y167 AromaticContact CD1-CE1 3.69Å; Y92-Y167 HydrophobicContact CD1-CE1 3.69Å; Y92-Y167 HydrophobicContact CD1-CG 4.33Å; Y92-Y167 HydrophobicContact CE1-CD1 4.03Å; Y92-Y167 HydrophobicContact CE1-CE1 4.38Å; Y92-Y167 HydrophobicContact CE1-CG 4.44Å
93N67.4Low73.2Confident84 Ų8463 Ų6345%0.44934%0.337SS..  trans-77.2118.7175.8-167.6-25.1000109.9G91 Y95 C96G91-N93 PolarHBondContact O-N 3.25Å; N93-Y95 PolarHBondContact O-N 3.36Å; N93-Y95 PolarHBondContact OD1-N 3.4Å; N93-Y95 VanDerWaalsContact OD1-N 3.08Å; N93-C96 WeakPolarHBondContact CB-O 3.15Å
94F63.3Low72.6Confident113 Ų11369.4 Ų69.450%0.49637%0.367SS..SBendtrans-60.2-30179.7-76.8-81.5000113.6W88 Y92W88-F94 HydrophobicContact CE3-CE2 4.38Å; W88-F94 HydrophobicContact CE3-CZ 4.08Å; W88-F94 HydrophobicContact CZ3-CE2 4.19Å; W88-F94 HydrophobicContact CZ3-CZ 4.05Å; Y92-F94 PolarHBondContact O-N 3.21Å
95Y61.3Low72.1Confident160 Ų16067.6 Ų67.663%0.62735%0.352SS*.SBendtrans-79.2-45.6-176.4-67-78.8000112.3N93 L219N93-Y95 PolarHBondContact O-N 3.36Å; N93-Y95 PolarHBondContact OD1-N 3.4Å; N93-Y95 VanDerWaalsContact OD1-N 3.08Å; Y95-L219 HydrophobicContact CD1-CD1 4.45Å
96C62.4Low71.8Confident12 Ų1266.4 Ų66.48%0.08135%0.345CS..  trans-162.8120.3179-160.30000109.6N93 W223 C225N93-C96 WeakPolarHBondContact CB-O 3.15Å; C96-W223 PolarHBondContact SG-O 3.05Å; C96-C225 HydrophobicContact CB-CB 3.48Å; C96-C225 VanDerWaalsContact CB-CB 3.48Å; C96-C225 WeakPolarHBondContact CB-SG 3.19Å; C96-C225 WeakPolarHBondContact SG-CB 3.28Å; C96-C225 PolarHBondContact SG-N 3.35Å; C96-C225 CovalentContact SG-SG 2.01Å; C96-C225 PolarHBondContact SG-SG 3.33Å
97Q66Low71.7Confident14 Ų1471.2 Ų71.27%0.06537%0.365CS..  trans-115.9127178.9-176.373.22.800110.3Y92 G164 H165Y92-Q97 HydrophobicContact CD1-CB 4.22Å; Y92-Q97 HydrophobicContact CD1-CG 3.56Å; Y92-Q97 HydrophobicContact CD2-CG 4.36Å; Y92-Q97 HydrophobicContact CE1-CG 3.6Å; Y92-Q97 HydrophobicContact CE2-CG 4.38Å; Y92-Q97 HydrophobicContact CG-CG 3.92Å; Q97-G164 WeakPolarHBondContact O-CA 3.22Å; Q97-H165 PolarHBondContact O-N 2.98Å
98N65.1Low71.8Confident46 Ų4675.3 Ų75.325%0.24638%0.381CS..  trans-77.2163.8173-74.1-28.4000112.5D100 S101 C225 G226 F227N98-D100 VanDerWaalsContact C-N 3.3Å; N98-D100 PolarHBondContact O-N 2.91Å; N98-S101 WeakPolarHBondContact CB-OG 3.45Å; N98-C225 PolarHBondContact ND2-O 3.03Å; N98-C225 PolarHBondContact OD1-O 3.16Å; N98-C225 PolarHBondContact OD1-SG 3.48Å; N98-C225 VanDerWaalsContact OD1-SG 3.34Å; N98-G226 VanDerWaalsContact OD1-CA 3.28Å; N98-G226 WeakPolarHBondContact OD1-CA 3.46Å; N98-G226 PolarHBondContact OD1-N 3.3Å; N98-F227 PolarHBondContact OD1-N 2.96Å
99T60.7Low72Confident29 Ų2966.4 Ų66.418%0.17835%0.348CS..THydrogen-bonded Turntrans-77.6-9.2-175.646.50000115.2R22 C163 F227R22-T99 PolarHBondContact NH1-O 3.47Å; R22-T99 VanDerWaalsContact NH1-O 3.08Å; R22-T99 PolarHBondContact NH2-O 3.43Å; R22-T99 VanDerWaalsContact NH2-O 3.16Å; T99-C163 WeakPolarHBondContact CA-SG 3.34Å; T99-C163 VanDerWaalsContact CB-SG 3.54Å; T99-C163 PolarHBondContact O-SG 2.76Å; T99-F227 HydrophobicContact CG2-CD2 4.22Å; T99-F227 HydrophobicContact CG2-CE2 4.24Å
100D62.1Low72.3Confident114 Ų11457.1 Ų57.161%0.6131%0.312SS*.THydrogen-bonded Turntrans-131.113.3-173.1-56.2-48.3000113.3R22 N98R22-D100 IonicContact NH1-OD1 2.64Å; R22-D100 IonicContact NH2-OD1 3.49Å; N98-D100 VanDerWaalsContact C-N 3.3Å; N98-D100 PolarHBondContact O-N 2.91Å
101S60.3Low73.1Confident70 Ų7058.3 Ų58.349%0.4932%0.315SS..SBendtrans-78.8-19.4-173.3-72.50000114.3N98N98-S101 WeakPolarHBondContact CB-OG 3.45Å
102A66.9Low74Confident17 Ų1755.5 Ų55.514%0.1429%0.286CS..  trans-148.579.9-174.700000111.7Y92 E104 A105 D106Y92-A102 HydrophobicContact CE2-CB 3.96Å; A102-E104 VanDerWaalsContact C-N 3.31Å; A102-E104 PolarHBondContact O-N 3.26Å; A102-A105 HydrophobicContact CB-CB 3.92Å; A102-A105 PolarHBondContact O-N 2.92Å; A102-D106 VanDerWaalsContact C-CG 3.44Å; A102-D106 VanDerWaalsContact C-OD2 3.26Å; A102-D106 PolarHBondContact N-OD2 2.89Å; A102-D106 WeakPolarHBondContact O-CB 3.35Å; A102-D106 PolarHBondContact O-N 2.93Å; A102-D106 VanDerWaalsContact O-OD1 3.09Å
103P72.4Confident74.8Confident86 Ų8655 Ų5556%0.55828%0.284SS*.Hα-helixtrans-53.6-38.3-164.6-27.433.1000115.8K107P103-K107 WeakPolarHBondContact O-CG 3.24Å; P103-K107 PolarHBondContact O-N 3.47Å
104E78.1Confident76.1Confident135 Ų13552.5 Ų52.563%0.63127%0.268SS*.Hα-helixtrans-79.6-36.8179.7-65-53129.400112.9A102 K107 K108A102-E104 VanDerWaalsContact C-N 3.31Å; A102-E104 PolarHBondContact O-N 3.26Å; E104-K107 IonicContact OE1-NZ 2.76Å; E104-K107 PolarHBondContact OE1-NZ 2.87Å; E104-K107 IonicContact OE2-NZ 2.98Å; E104-K108 PolarHBondContact O-N 3.48Å
105A80.2Confident77.5Confident13 Ų1351.4 Ų51.411%0.10726%0.261CS..Hα-helixtrans-68.8-38.4173.200000111T86 Y92 A102 K108 I109T86-A105 HydrophobicContact CG2-CB 3.94Å; T86-A105 WeakPolarHBondContact CG2-O 3.21Å; Y92-A105 HydrophobicContact CE2-CB 3.93Å; A102-A105 HydrophobicContact CB-CB 3.92Å; A102-A105 PolarHBondContact O-N 2.92Å; A105-K108 PolarHBondContact O-N 3.43Å; A105-I109 WeakPolarHBondContact O-CG1 3.35Å; A105-I109 PolarHBondContact O-N 3.44Å
106D82.9Confident79.1Confident0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-61.3-48179.9-60.7-15.4000110.7R22 Y92 A102 K108 I109 I110 C163R22-D106 IonicContact NH1-OD2 2.77Å; Y92-D106 PolarHBondContact OH-OD1 3.11Å; A102-D106 VanDerWaalsContact C-CG 3.44Å; A102-D106 VanDerWaalsContact C-OD2 3.26Å; A102-D106 PolarHBondContact N-OD2 2.89Å; A102-D106 WeakPolarHBondContact O-CB 3.35Å; A102-D106 PolarHBondContact O-N 2.93Å; A102-D106 VanDerWaalsContact O-OD1 3.09Å; D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3.04Å; D106-I109 PolarHBondContact O-N 3Å; D106-I110 WeakPolarHBondContact O-CB 3.48Å; D106-I110 WeakPolarHBondContact O-CD1 3.18Å; D106-I110 WeakPolarHBondContact O-CG1 3.5Å; D106-I110 PolarHBondContact O-N 3.32Å; D106-C163 HydrophobicContact CB-CB 4.47Å
107K84.2Confident80.5Confident111 Ų11143.4 Ų43.448%0.48323%0.228SC..Hα-helixtrans-55.8-43.4176-73.3170.2-170.5165.50112.2P103 E104 I110 S111P103-K107 WeakPolarHBondContact O-CG 3.24Å; P103-K107 PolarHBondContact O-N 3.47Å; E104-K107 IonicContact OE1-NZ 2.76Å; E104-K107 PolarHBondContact OE1-NZ 2.87Å; E104-K107 IonicContact OE2-NZ 2.98Å; K107-I110 PolarHBondContact O-N 3.42Å; K107-S111 PolarHBondContact O-N 3.27Å; K107-S111 VanDerWaalsContact O-N 3.1Å
108K86.1Confident81.8Confident92 Ų9245.1 Ų45.140%0.424%0.235SC..Hα-helixtrans-68.2-43.9-179.9-173.6171.8-179.9-160.40111.1E82 T86 E104 A105 D106 I110 S111 V112E82-K108 WeakPolarHBondContact OE2-CE 3.45Å; E82-K108 IonicContact OE2-NZ 3.68Å; E82-K108 PolarHBondContact OE2-NZ 3.22Å; T86-K108 HydrophobicContact CG2-CB 3.98Å; T86-K108 HydrophobicContact CG2-CD 4.02Å; T86-K108 HydrophobicContact CG2-CG 4.11Å; T86-K108 VanDerWaalsContact OG1-CD 3.31Å; T86-K108 WeakPolarHBondContact OG1-CD 3.23Å; T86-K108 WeakPolarHBondContact OG1-CE 3.42Å; T86-K108 PolarHBondContact OG1-NZ 3.23Å; E104-K108 PolarHBondContact O-N 3.48Å; A105-K108 PolarHBondContact O-N 3.43Å; D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3.04Å; K108-I110 PolarHBondContact O-N 2.8Å; K108-S111 WeakPolarHBondContact O-CB 3.48Å; K108-S111 PolarHBondContact O-N 3.47Å; K108-V112 WeakPolarHBondContact O-CG2 3.3Å; K108-V112 PolarHBondContact O-N 3.27Å
109I88.1Confident83.2Confident0 Ų043 Ų430%022%0.224CC..Hα-helixtrans-61.3-43.6174.8-71.8-179.3000111.4L83 T86 Y92 A105 D106 S111 V112 L113L83-I109 HydrophobicContact CD2-CB 4.5Å; L83-I109 HydrophobicContact CD2-CG1 4.32Å; L83-I109 HydrophobicContact CD2-CG2 4.05Å; T86-I109 HydrophobicContact CG2-CD1 4.19Å; T86-I109 HydrophobicContact CG2-CG1 3.72Å; Y92-I109 HydrophobicContact CD1-CD1 4.07Å; Y92-I109 HydrophobicContact CE1-CD1 3.33Å; Y92-I109 HydrophobicContact CE2-CD1 4.03Å; Y92-I109 WeakPolarHBondContact OH-CD1 3.33Å; A105-I109 WeakPolarHBondContact O-CG1 3.35Å; A105-I109 PolarHBondContact O-N 3.44Å; D106-I109 PolarHBondContact O-N 3Å; I109-S111 VanDerWaalsContact C-N 3.3Å; I109-S111 PolarHBondContact O-N 2.94Å; I109-V112 PolarHBondContact O-N 3.44Å; I109-V112 VanDerWaalsContact O-N 3.15Å; I109-L113 HydrophobicContact CG2-CD1 3.66Å; I109-L113 HydrophobicContact CG2-CG 3.97Å; I109-L113 WeakPolarHBondContact O-CB 3.46Å; I109-L113 VanDerWaalsContact O-CG 3.31Å; I109-L113 WeakPolarHBondContact O-CG 3.37Å; I109-L113 PolarHBondContact O-N 3.42Å
110I89.4Confident84.7Confident5 Ų541.7 Ų41.73%0.02622%0.216CC..Hα-helixtrans-56.6-45.9176.4-67.8162.2000110.6R22 V23 M26 D106 K107 K108 V112 L113 W114 M158 P162 C163R22-I110 HydrophobicContact CB-CD1 3.9Å; R22-I110 HydrophobicContact CG-CD1 4.39Å; V23-I110 HydrophobicContact CG1-CG2 3.59Å; M26-I110 HydrophobicContact SD-CG2 4.37Å; D106-I110 WeakPolarHBondContact O-CB 3.48Å; D106-I110 WeakPolarHBondContact O-CD1 3.18Å; D106-I110 WeakPolarHBondContact O-CG1 3.5Å; D106-I110 PolarHBondContact O-N 3.32Å; K107-I110 PolarHBondContact O-N 3.42Å; K108-I110 PolarHBondContact O-N 2.8Å; I110-V112 PolarHBondContact O-N 2.9Å; I110-L113 PolarHBondContact O-N 2.88Å; I110-W114 PolarHBondContact O-N 3.37Å; I110-M158 HydrophobicContact CG2-CE 4.32Å; I110-P162 HydrophobicContact CD1-CG 4.31Å; I110-P162 HydrophobicContact CG1-CB 3.93Å; I110-P162 HydrophobicContact CG1-CG 4.11Å; I110-P162 WeakPolarHBondContact CG1-O 3.36Å; I110-P162 HydrophobicContact CG2-CB 4.24Å; I110-C163 HydrophobicContact CG1-CB 4.22Å
111S90.4Very high86.2Confident53 Ų5338 Ų3837%0.37120%0.196SC..Hα-helixtrans-60.6-43.2177.2-175.60000112.3K107 K108 I109 W114 W115K107-S111 PolarHBondContact O-N 3.27Å; K107-S111 VanDerWaalsContact O-N 3.1Å; K108-S111 WeakPolarHBondContact O-CB 3.48Å; K108-S111 PolarHBondContact O-N 3.47Å; I109-S111 VanDerWaalsContact C-N 3.3Å; I109-S111 PolarHBondContact O-N 2.94Å; S111-W114 WeakPolarHBondContact O-CB 3.22Å; S111-W114 PolarHBondContact O-N 3.19Å; S111-W115 PolarHBondContact O-N 3.33Å
112V92.2Very high87.8Confident2 Ų236.7 Ų36.71%0.01218%0.183CC..Hα-helixtrans-72.9-34.4178.4-1750000112.4M79 E82 L83 K108 I109 I110 W114 W115 Y116M79-V112 HydrophobicContact CB-CG1 4Å; M79-V112 HydrophobicContact CG-CG1 4.05Å; E82-V112 HydrophobicContact CB-CG1 4.24Å; E82-V112 HydrophobicContact CB-CG2 3.75Å; E82-V112 HydrophobicContact CG-CG2 4.41Å; L83-V112 HydrophobicContact CD1-CG1 4.29Å; L83-V112 HydrophobicContact CD2-CB 4.05Å; L83-V112 HydrophobicContact CD2-CG1 4.01Å; L83-V112 HydrophobicContact CG-CB 4.31Å; L83-V112 HydrophobicContact CG-CG1 3.73Å; K108-V112 WeakPolarHBondContact O-CG2 3.3Å; K108-V112 PolarHBondContact O-N 3.27Å; I109-V112 PolarHBondContact O-N 3.44Å; I109-V112 VanDerWaalsContact O-N 3.15Å; I110-V112 PolarHBondContact O-N 2.9Å; V112-W114 VanDerWaalsContact C-N 3.27Å; V112-W114 PolarHBondContact O-N 3Å; V112-W115 WeakPolarHBondContact O-CB 2.99Å; V112-W115 PolarHBondContact O-N 3.04Å; V112-W115 VanDerWaalsContact O-N 3.16Å; V112-Y116 PolarHBondContact O-N 3Å
113L91.9Very high89.1Confident0 Ų036 Ų360%018%0.177CC..Hα-helixtrans-68.2-28.5173.6-71.1-179.1000112.1L83 I109 I110 Y116 Y117 W154 M158 P162 A170L83-L113 HydrophobicContact CD1-CD2 4.34Å; L83-L113 HydrophobicContact CD2-CD2 4.14Å; L83-L113 HydrophobicContact CD2-CG 4.26Å; I109-L113 HydrophobicContact CG2-CD1 3.66Å; I109-L113 HydrophobicContact CG2-CG 3.97Å; I109-L113 WeakPolarHBondContact O-CB 3.46Å; I109-L113 VanDerWaalsContact O-CG 3.31Å; I109-L113 WeakPolarHBondContact O-CG 3.37Å; I109-L113 PolarHBondContact O-N 3.42Å; I110-L113 PolarHBondContact O-N 2.88Å; L113-Y116 WeakPolarHBondContact O-CB 3.13Å; L113-Y116 PolarHBondContact O-N 3.22Å; L113-Y117 PolarHBondContact O-N 3.42Å; L113-W154 HydrophobicContact CB-CZ3 4.45Å; L113-W154 HydrophobicContact CD2-CH2 3.89Å; L113-W154 HydrophobicContact CD2-CZ3 3.86Å; L113-M158 HydrophobicContact CB-CE 4.23Å; L113-M158 HydrophobicContact CB-SD 3.54Å; L113-M158 VanDerWaalsContact CB-SD 3.54Å; L113-P162 WeakPolarHBondContact CD1-O 3.29Å; L113-A170 HydrophobicContact CD2-CB 3.46Å; L113-A170 VanDerWaalsContact CD2-CB 3.46Å
114W93.4Very high90.1Very high31 Ų3132.8 Ų32.812%0.11715%0.154CC..Hα-helixtrans-64.5-44.4167.9178.987.8000111.7M26 L27 I110 S111 V112 Y116 Y117 F118 M158M26-W114 HydrophobicContact CE-CB 3.39Å; M26-W114 HydrophobicContact CE-CD2 4.12Å; M26-W114 HydrophobicContact CE-CG 3.43Å; M26-W114 VanDerWaalsContact CE-CG 3.43Å; M26-W114 HydrophobicContact SD-CB 4.35Å; M26-W114 HydrophobicContact SD-CG 4.38Å; L27-W114 HydrophobicContact CB-CZ2 3.9Å; L27-W114 HydrophobicContact CD2-CZ2 4.23Å; L27-W114 PolarHBondContact O-NE1 3.23Å; I110-W114 PolarHBondContact O-N 3.37Å; S111-W114 WeakPolarHBondContact O-CB 3.22Å; S111-W114 PolarHBondContact O-N 3.19Å; V112-W114 VanDerWaalsContact C-N 3.27Å; V112-W114 PolarHBondContact O-N 3Å; W114-Y116 PolarHBondContact O-N 3.27Å; W114-Y117 WeakPolarHBondContact O-CB 3.4Å; W114-Y117 PolarHBondContact O-N 3.23Å; W114-F118 HydrophobicContact CH2-CB 4.35Å; W114-F118 HydrophobicContact CH2-CD2 4.32Å; W114-F118 HydrophobicContact CH2-CG 4.22Å; W114-F118 HydrophobicContact CZ2-CB 4.42Å; W114-F118 HydrophobicContact CZ2-CD2 4.21Å; W114-F118 HydrophobicContact CZ2-CG 4.42Å; W114-F118 WeakPolarHBondContact O-CB 3.49Å; W114-F118 PolarHBondContact O-N 3.1Å; W114-M158 HydrophobicContact CB-CE 3.91Å
115W93.9Very high90.8Very high90 Ų9029.7 Ų29.734%0.34114%0.141SC..Hα-helixtrans-59.9-36.7171.9-82.4109.2000112.1L75 Y78 M79 S111 V112 F118 S119L75-W115 HydrophobicContact CD1-CD2 4.46Å; L75-W115 HydrophobicContact CD1-CE3 3.97Å; Y78-W115 HydrophobicContact CE1-CG 4.48Å; M79-W115 HydrophobicContact CG-CB 4.26Å; M79-W115 VanDerWaalsContact SD-C 3.56Å; M79-W115 HydrophobicContact SD-CB 4.12Å; S111-W115 PolarHBondContact O-N 3.33Å; V112-W115 WeakPolarHBondContact O-CB 2.99Å; V112-W115 PolarHBondContact O-N 3.04Å; V112-W115 VanDerWaalsContact O-N 3.16Å; W115-F118 HydrophobicContact CE3-CD1 4.28Å; W115-F118 HydrophobicContact CZ3-CD1 4.09Å; W115-F118 PolarHBondContact O-N 3.07Å; W115-S119 WeakPolarHBondContact O-CB 3.42Å; W115-S119 PolarHBondContact O-N 3.3Å
116Y93.6Very high91.3Very high3 Ų329.6 Ų29.61%0.01214%0.139CC..Hα-helixtrans-63.6-46.9174.3-176.3-84.8000111.8M79 V112 L113 W114 F118 S119 K120 W154 A170 N173M79-Y116 HydrophobicContact CE-CD2 4.34Å; M79-Y116 WeakPolarHBondContact SD-CA 3.48Å; M79-Y116 HydrophobicContact SD-CD2 4.26Å; M79-Y116 PolarHBondContact SD-N 3.05Å; M79-Y116 VanDerWaalsContact SD-N 3.39Å; V112-Y116 PolarHBondContact O-N 3Å; L113-Y116 WeakPolarHBondContact O-CB 3.13Å; L113-Y116 PolarHBondContact O-N 3.22Å; W114-Y116 PolarHBondContact O-N 3.27Å; Y116-F118 PolarHBondContact O-N 2.9Å; Y116-S119 WeakPolarHBondContact O-CB 3.35Å; Y116-S119 PolarHBondContact O-N 3.46Å; Y116-S119 PolarHBondContact O-OG 3.43Å; Y116-K120 HydrophobicContact CE1-CD 4.5Å; Y116-K120 HydrophobicContact CE1-CG 4.5Å; Y116-K120 PolarHBondContact O-N 3.48Å; Y116-K120 VanDerWaalsContact OH-CE 3.24Å; Y116-K120 WeakPolarHBondContact OH-CE 3.45Å; Y116-W154 AromaticContact CD1-CD2 3.71Å; Y116-W154 HydrophobicContact CD1-CD2 3.71Å; Y116-W154 AromaticContact CD1-CE2 3.64Å; Y116-W154 AromaticContact CD1-CE3 3.92Å; Y116-W154 HydrophobicContact CD1-CE3 3.92Å; Y116-W154 HydrophobicContact CD1-CG 4.33Å; Y116-W154 AromaticContact CD1-CH2 3.98Å; Y116-W154 HydrophobicContact CD1-CH2 3.98Å; Y116-W154 AromaticContact CD1-CZ2 3.75Å; Y116-W154 HydrophobicContact CD1-CZ2 3.75Å; Y116-W154 HydrophobicContact CD1-CZ3 4.05Å; Y116-W154 AromaticContact CE1-CD1 3.92Å; Y116-W154 AromaticContact CE1-CD2 3.67Å; Y116-W154 HydrophobicContact CE1-CD2 3.67Å; Y116-W154 AromaticContact CE1-CE2 3.17Å; Y116-W154 HydrophobicContact CE1-CE3 4.31Å; Y116-W154 HydrophobicContact CE1-CG 4.12Å; Y116-W154 HydrophobicContact CE1-CH2 4.09Å; Y116-W154 AromaticContact CE1-CZ2 3.39Å; Y116-W154 HydrophobicContact CE1-CZ2 3.39Å; Y116-W154 HydrophobicContact CE1-CZ3 4.5Å; Y116-W154 AromaticContact CE1-NE1 3.36Å; Y116-A170 HydrophobicContact CD1-CB 4.37Å; Y116-A170 HydrophobicContact CD2-CB 3.97Å; Y116-A170 HydrophobicContact CE1-CB 4.5Å; Y116-A170 HydrophobicContact CE2-CB 4.04Å; Y116-A170 HydrophobicContact CG-CB 4.12Å; Y116-N173 HydrophobicContact CE2-CB 4.09Å; Y116-N173 VanDerWaalsContact CE2-OD1 3.22Å; Y116-N173 WeakPolarHBondContact CE2-OD1 3.21Å; Y116-N173 WeakPolarHBondContact OH-CB 3.25Å; Y116-N173 PolarHBondContact OH-OD1 2.85Å
117Y93Very high91.7Very high1 Ų129.6 Ų29.60%0.00414%0.139CC..Hα-helixtrans-58.1-48.1173.1162.8-109.3000111.6L28 L29 T35 L113 W114 S119 K120 L151 W154 W155L28-Y117 HydrophobicContact CB-CE1 3.99Å; L28-Y117 PolarHBondContact O-OH 2.56Å; L29-Y117 HydrophobicContact CD2-CD1 4Å; L29-Y117 HydrophobicContact CD2-CE1 3.82Å; L29-Y117 HydrophobicContact CG-CE1 4.45Å; T35-Y117 HydrophobicContact CG2-CE2 4.38Å; T35-Y117 PolarHBondContact OG1-OH 3.05Å; L113-Y117 PolarHBondContact O-N 3.42Å; W114-Y117 WeakPolarHBondContact O-CB 3.4Å; W114-Y117 PolarHBondContact O-N 3.23Å; Y117-S119 VanDerWaalsContact C-N 3.27Å; Y117-S119 PolarHBondContact O-N 2.93Å; Y117-K120 WeakPolarHBondContact O-CB 3.42Å; Y117-K120 PolarHBondContact O-N 2.96Å; Y117-K120 VanDerWaalsContact O-N 3.1Å; Y117-L151 HydrophobicContact CD2-CD1 4.04Å; Y117-L151 HydrophobicContact CE2-CD1 3.53Å; Y117-L151 HydrophobicContact CE2-CG 4.23Å; Y117-L151 WeakPolarHBondContact CE2-O 3.37Å; Y117-W154 HydrophobicContact CD2-CB 3.89Å; Y117-W155 HydrophobicContact CE2-CB 3.98Å
118F93.3Very high92.1Very high50 Ų5029.1 Ų29.122%0.21914%0.137CC..Hα-helixtrans-62.9-34.4178.7-168.8-103.4000112.2W114 W115 Y116 K120 L121 I122W114-F118 HydrophobicContact CH2-CB 4.35Å; W114-F118 HydrophobicContact CH2-CD2 4.32Å; W114-F118 HydrophobicContact CH2-CG 4.22Å; W114-F118 HydrophobicContact CZ2-CB 4.42Å; W114-F118 HydrophobicContact CZ2-CD2 4.21Å; W114-F118 HydrophobicContact CZ2-CG 4.42Å; W114-F118 WeakPolarHBondContact O-CB 3.49Å; W114-F118 PolarHBondContact O-N 3.1Å; W115-F118 HydrophobicContact CE3-CD1 4.28Å; W115-F118 HydrophobicContact CZ3-CD1 4.09Å; W115-F118 PolarHBondContact O-N 3.07Å; Y116-F118 PolarHBondContact O-N 2.9Å; F118-K120 PolarHBondContact O-N 3.4Å; F118-L121 HydrophobicContact CE2-CD2 4.23Å; F118-L121 WeakPolarHBondContact O-CB 3.45Å; F118-L121 PolarHBondContact O-N 3.43Å; F118-I122 HydrophobicContact CD1-CD1 3.86Å; F118-I122 HydrophobicContact CD1-CG1 4.26Å; F118-I122 HydrophobicContact CE1-CD1 3.83Å; F118-I122 HydrophobicContact CE1-CG1 4.09Å; F118-I122 PolarHBondContact O-N 3.28Å
119S93.9Very high92.3Very high1 Ų125.6 Ų25.61%0.00712%0.122CC..Hα-helixtrans-58.1-35.4175.3810000111.9W115 Y116 Y117 L121 I122 E123W115-S119 WeakPolarHBondContact O-CB 3.42Å; W115-S119 PolarHBondContact O-N 3.3Å; Y116-S119 WeakPolarHBondContact O-CB 3.35Å; Y116-S119 PolarHBondContact O-N 3.46Å; Y116-S119 PolarHBondContact O-OG 3.43Å; Y117-S119 VanDerWaalsContact C-N 3.27Å; Y117-S119 PolarHBondContact O-N 2.93Å; S119-L121 PolarHBondContact O-N 3.12Å; S119-I122 WeakPolarHBondContact O-CA 3.24Å; S119-I122 WeakPolarHBondContact O-CB 3.41Å; S119-I122 PolarHBondContact O-N 3.33Å; S119-E123 VanDerWaalsContact O-CG 3.27Å; S119-E123 WeakPolarHBondContact O-CG 3.46Å; S119-E123 PolarHBondContact O-N 3.48Å
120K93.4Very high92.4Very high2 Ų227 Ų271%0.00913%0.128CC..Hα-helixtrans-65.6-28.6178.4-54-52162.1-164.70113.2Y116 Y117 F118 E123 F124 L151 N173 H177Y116-K120 HydrophobicContact CE1-CD 4.5Å; Y116-K120 HydrophobicContact CE1-CG 4.5Å; Y116-K120 PolarHBondContact O-N 3.48Å; Y116-K120 VanDerWaalsContact OH-CE 3.24Å; Y116-K120 WeakPolarHBondContact OH-CE 3.45Å; Y117-K120 WeakPolarHBondContact O-CB 3.42Å; Y117-K120 PolarHBondContact O-N 2.96Å; Y117-K120 VanDerWaalsContact O-N 3.1Å; F118-K120 PolarHBondContact O-N 3.4Å; K120-E123 VanDerWaalsContact CD-OE2 3.32Å; K120-E123 WeakPolarHBondContact CD-OE2 3.28Å; K120-E123 IonicContact NZ-OE1 3.29Å; K120-E123 PolarHBondContact NZ-OE1 3.38Å; K120-E123 IonicContact NZ-OE2 2.86Å; K120-E123 PolarHBondContact NZ-OE2 3.39Å; K120-F124 WeakPolarHBondContact O-CD1 3.12Å; K120-L151 HydrophobicContact CB-CD1 4.17Å; K120-N173 PolarHBondContact NZ-OD1 3.01Å; K120-H177 PolarHBondContact NZ-CE1 3.32Å; K120-H177 VanDerWaalsContact NZ-CE1 3.32Å
121L93Very high92.5Very high37 Ų3727 Ų2719%0.19413%0.128CC..Hα-helixtrans-71.1-41.4170.6-176.261.4000111.5L28 L38 F118 S119 E123 F124 L151L28-L121 HydrophobicContact CD1-CD2 3.94Å; L38-L121 HydrophobicContact CB-CD1 4.22Å; L38-L121 HydrophobicContact CD1-CD1 3.81Å; L38-L121 HydrophobicContact CD1-CD2 3.97Å; L38-L121 HydrophobicContact CD2-CD1 4.22Å; L38-L121 HydrophobicContact CG-CD1 4.31Å; F118-L121 HydrophobicContact CE2-CD2 4.23Å; F118-L121 WeakPolarHBondContact O-CB 3.45Å; F118-L121 PolarHBondContact O-N 3.43Å; S119-L121 PolarHBondContact O-N 3.12Å; L121-E123 VanDerWaalsContact C-N 3.29Å; L121-E123 PolarHBondContact O-N 2.85Å; L121-F124 HydrophobicContact CD1-CD2 3.91Å; L121-F124 HydrophobicContact CD1-CE2 4.15Å; L121-F124 WeakPolarHBondContact O-CB 3.39Å; L121-F124 PolarHBondContact O-N 2.92Å; L121-L151 HydrophobicContact CB-CD1 4.21Å; L121-L151 HydrophobicContact CD1-CD2 4.3Å
122I94.1Very high92.4Very high42 Ų4225.9 Ų25.922%0.21512%0.118CC..Hα-helixtrans-61.7-40.9175.6-62173.2000110.4Y68 V72 L75 F118 S119 F124 I125Y68-I122 HydrophobicContact CE2-CG2 3.9Å; Y68-I122 PolarHBondContact OH-O 3.28Å; V72-I122 HydrophobicContact CG2-CG2 4.01Å; L75-I122 HydrophobicContact CD2-CD1 3.92Å; F118-I122 HydrophobicContact CD1-CD1 3.86Å; F118-I122 HydrophobicContact CD1-CG1 4.26Å; F118-I122 HydrophobicContact CE1-CD1 3.83Å; F118-I122 HydrophobicContact CE1-CG1 4.09Å; F118-I122 PolarHBondContact O-N 3.28Å; S119-I122 WeakPolarHBondContact O-CA 3.24Å; S119-I122 WeakPolarHBondContact O-CB 3.41Å; S119-I122 PolarHBondContact O-N 3.33Å; I122-F124 PolarHBondContact O-N 3.29Å; I122-F124 VanDerWaalsContact O-N 3.1Å; I122-I125 HydrophobicContact CG2-CD1 4.4Å; I122-I125 VanDerWaalsContact O-CB 3.23Å; I122-I125 WeakPolarHBondContact O-CB 3.46Å; I122-I125 WeakPolarHBondContact O-CG1 3.45Å; I122-I125 PolarHBondContact O-N 3.42Å
123E93.7Very high92.3Very high1 Ų130.1 Ų30.11%0.00513%0.134CC..THydrogen-bonded Turntrans-62.4-17.2179.5-68.1176.1-169.400113.4S119 K120 L121 I125 D126 H147 H177 Y181S119-E123 VanDerWaalsContact O-CG 3.27Å; S119-E123 WeakPolarHBondContact O-CG 3.46Å; S119-E123 PolarHBondContact O-N 3.48Å; K120-E123 VanDerWaalsContact CD-OE2 3.32Å; K120-E123 WeakPolarHBondContact CD-OE2 3.28Å; K120-E123 IonicContact NZ-OE1 3.29Å; K120-E123 PolarHBondContact NZ-OE1 3.38Å; K120-E123 IonicContact NZ-OE2 2.86Å; K120-E123 PolarHBondContact NZ-OE2 3.39Å; L121-E123 VanDerWaalsContact C-N 3.29Å; L121-E123 PolarHBondContact O-N 2.85Å; E123-I125 PolarHBondContact O-N 3.02Å; E123-D126 VanDerWaalsContact O-CB 3.24Å; E123-D126 WeakPolarHBondContact O-CB 3.35Å; E123-D126 PolarHBondContact O-N 3.21Å; E123-H147 IonicContact OE2-CE1 3.77Å; E123-H177 VanDerWaalsContact CD-CE1 3.49Å; E123-H177 IonicContact OE1-CE1 3.37Å; E123-H177 PolarHBondContact OE1-CE1 3.07Å; E123-H177 IonicContact OE1-ND1 2.95Å; E123-H177 PolarHBondContact OE1-ND1 3.45Å; E123-H177 IonicContact OE2-CE1 2.9Å; E123-H177 PolarHBondContact OE2-CE1 2.94Å; E123-Y181 WeakPolarHBondContact CG-OH 3.37Å
124F93.3Very high92Very high19 Ų1933.8 Ų33.88%0.08315%0.149CC..Hα-helixtrans-60.1-27.4171.4-72.7-0.6000112.4Y42 K120 L121 I122 D126 T127 F128 H147 L151Y42-F124 HydrophobicContact CD2-CB 3.88Å; Y42-F124 AromaticContact CD2-CD1 3.97Å; Y42-F124 HydrophobicContact CD2-CD1 3.97Å; Y42-F124 AromaticContact CD2-CD2 3.92Å; Y42-F124 HydrophobicContact CD2-CD2 3.92Å; Y42-F124 HydrophobicContact CD2-CE1 4.48Å; Y42-F124 HydrophobicContact CD2-CE2 4.41Å; Y42-F124 AromaticContact CD2-CG 3.66Å; Y42-F124 HydrophobicContact CD2-CG 3.66Å; Y42-F124 HydrophobicContact CE2-CB 4.26Å; Y42-F124 HydrophobicContact CE2-CD1 4.12Å; Y42-F124 HydrophobicContact CE2-CG 4.18Å; Y42-F124 HydrophobicContact CG-CD1 4.36Å; Y42-F124 HydrophobicContact CG-CD2 4.02Å; Y42-F124 HydrophobicContact CG-CE1 4.43Å; Y42-F124 HydrophobicContact CG-CE2 4.08Å; Y42-F124 HydrophobicContact CG-CG 4.15Å; Y42-F124 HydrophobicContact CG-CZ 4.28Å; K120-F124 WeakPolarHBondContact O-CD1 3.12Å; L121-F124 HydrophobicContact CD1-CD2 3.91Å; L121-F124 HydrophobicContact CD1-CE2 4.15Å; L121-F124 WeakPolarHBondContact O-CB 3.39Å; L121-F124 PolarHBondContact O-N 2.92Å; I122-F124 PolarHBondContact O-N 3.29Å; I122-F124 VanDerWaalsContact O-N 3.1Å; F124-D126 PolarHBondContact O-N 3.27Å; F124-T127 PolarHBondContact O-N 3.22Å; F124-T127 VanDerWaalsContact O-N 3.15Å; F124-F128 PolarHBondContact O-N 3.37Å; F124-H147 HydrophobicContact CD1-CB 4.07Å; F124-H147 HydrophobicContact CE1-CB 3.92Å; F124-H147 WeakPolarHBondContact CE1-O 3.38Å; F124-L151 HydrophobicContact CE1-CB 4.42Å; F124-L151 HydrophobicContact CE2-CD2 3.61Å; F124-L151 HydrophobicContact CZ-CB 3.91Å; F124-L151 HydrophobicContact CZ-CD2 3.54Å; F124-L151 HydrophobicContact CZ-CG 4.31Å
125I93Very high91.6Very high70 Ų7033.9 Ų33.936%0.35915%0.152SC..Hα-helixtrans-63.7-25.6177.5-56.3172.1000111Y68 I122 E123 T127 F128 F129Y68-I125 HydrophobicContact CD2-CB 4.49Å; Y68-I125 HydrophobicContact CD2-CG2 4.19Å; Y68-I125 HydrophobicContact CE2-CB 3.75Å; Y68-I125 HydrophobicContact CE2-CD1 4.18Å; Y68-I125 HydrophobicContact CE2-CG2 3.92Å; I122-I125 HydrophobicContact CG2-CD1 4.4Å; I122-I125 VanDerWaalsContact O-CB 3.23Å; I122-I125 WeakPolarHBondContact O-CB 3.46Å; I122-I125 WeakPolarHBondContact O-CG1 3.45Å; I122-I125 PolarHBondContact O-N 3.42Å; E123-I125 PolarHBondContact O-N 3.02Å; I125-T127 VanDerWaalsContact C-N 3.27Å; I125-T127 PolarHBondContact O-N 3.34Å; I125-F128 WeakPolarHBondContact O-CB 3.28Å; I125-F128 PolarHBondContact O-N 3.21Å; I125-F128 VanDerWaalsContact O-N 3.12Å; I125-F129 HydrophobicContact CG2-CD2 3.8Å; I125-F129 HydrophobicContact CG2-CE2 3.41Å; I125-F129 VanDerWaalsContact CG2-CE2 3.41Å; I125-F129 HydrophobicContact CG2-CZ 4.08Å; I125-F129 VanDerWaalsContact O-CD2 3.3Å; I125-F129 WeakPolarHBondContact O-CD2 3.48Å; I125-F129 PolarHBondContact O-N 3.46Å
126D90.9Very high91.1Very high11 Ų1133.4 Ų33.46%0.05916%0.156CC..Hα-helixtrans-54.7-47.2173.1-70.4-25.9000111.4Y68 E123 F124 F128 F129 F130 Y181Y68-D126 WeakPolarHBondContact CE1-OD1 3.45Å; Y68-D126 VanDerWaalsContact OH-CG 3.23Å; Y68-D126 PolarHBondContact OH-OD1 2.85Å; E123-D126 VanDerWaalsContact O-CB 3.24Å; E123-D126 WeakPolarHBondContact O-CB 3.35Å; E123-D126 PolarHBondContact O-N 3.21Å; F124-D126 PolarHBondContact O-N 3.27Å; D126-F128 VanDerWaalsContact C-N 3.29Å; D126-F128 PolarHBondContact O-N 3.37Å; D126-F129 PolarHBondContact O-N 2.93Å; D126-F130 WeakPolarHBondContact O-CD1 3.5Å; D126-F130 VanDerWaalsContact O-CG 3.29Å; D126-F130 WeakPolarHBondContact O-CG 3.46Å; D126-F130 PolarHBondContact O-N 3.32Å; D126-Y181 WeakPolarHBondContact OD2-CE1 3.35Å; D126-Y181 PolarHBondContact OD2-OH 3.06Å
127T91.6Very high90.5Very high1 Ų139.9 Ų39.91%0.00619%0.187CC..Hα-helixtrans-68.9-35.3-177.8-410000110.6Y42 V46 F124 I125 F130 I131 I139 H143Y42-T127 HydrophobicContact CE2-CG2 4.09Å; Y42-T127 VanDerWaalsContact CE2-OG1 3.29Å; Y42-T127 WeakPolarHBondContact CE2-OG1 3.43Å; Y42-T127 PolarHBondContact OH-OG1 2.95Å; V46-T127 HydrophobicContact CG2-CG2 3.58Å; F124-T127 PolarHBondContact O-N 3.22Å; F124-T127 VanDerWaalsContact O-N 3.15Å; I125-T127 VanDerWaalsContact C-N 3.27Å; I125-T127 PolarHBondContact O-N 3.34Å; T127-F130 PolarHBondContact O-N 3.49Å; T127-I131 HydrophobicContact CG2-CD1 4.43Å; T127-I131 VanDerWaalsContact O-CG1 3.28Å; T127-I131 WeakPolarHBondContact O-CG1 3.34Å; T127-I131 PolarHBondContact O-N 3.47Å; T127-I139 HydrophobicContact CG2-CD1 4.48Å; T127-I139 HydrophobicContact CG2-CG1 4.39Å; T127-I139 HydrophobicContact CG2-CG2 4.27Å; T127-H143 PolarHBondContact OG1-NE2 3.22Å
128F91.3Very high90Very high101 Ų10142.5 Ų42.544%0.44320%0.199SC..Hα-helixtrans-62.1-44.2173.6-174.9-110.5000111.6I45 F124 I125 D126 F130 I131 L132I45-F128 HydrophobicContact CG2-CD2 4.45Å; F124-F128 PolarHBondContact O-N 3.37Å; I125-F128 WeakPolarHBondContact O-CB 3.28Å; I125-F128 PolarHBondContact O-N 3.21Å; I125-F128 VanDerWaalsContact O-N 3.12Å; D126-F128 VanDerWaalsContact C-N 3.29Å; D126-F128 PolarHBondContact O-N 3.37Å; F128-F130 VanDerWaalsContact C-N 3.33Å; F128-F130 PolarHBondContact O-N 3.32Å; F128-I131 PolarHBondContact O-N 3.12Å; F128-L132 HydrophobicContact CD1-CD1 3.78Å; F128-L132 HydrophobicContact CD1-CG 4.31Å; F128-L132 HydrophobicContact CE1-CD1 3.28Å; F128-L132 HydrophobicContact CE1-CG 4.02Å; F128-L132 HydrophobicContact CE2-CD1 4.39Å; F128-L132 HydrophobicContact CE2-CD2 4.38Å; F128-L132 HydrophobicContact CE2-CG 4.29Å; F128-L132 HydrophobicContact CZ-CD1 3.64Å; F128-L132 HydrophobicContact CZ-CD2 4.14Å; F128-L132 HydrophobicContact CZ-CG 3.99Å; F128-L132 WeakPolarHBondContact O-CG 3.45Å; F128-L132 PolarHBondContact O-N 3.39Å
129F90.8Very high89.8Confident17 Ų1741.6 Ų41.68%0.07520%0.196CC..Hα-helixtrans-62-38.7173.7-75.8-57.1000112.7L64 M65 Y68 I125 D126 R133L64-F129 HydrophobicContact CD2-CE1 3.97Å; L64-F129 HydrophobicContact CD2-CZ 4.08Å; L64-F129 HydrophobicContact CG-CE1 4.19Å; L64-F129 HydrophobicContact CG-CZ 3.98Å; M65-F129 HydrophobicContact CG-CD1 3.71Å; M65-F129 HydrophobicContact CG-CD2 4.42Å; M65-F129 HydrophobicContact CG-CE1 3.89Å; M65-F129 HydrophobicContact CG-CG 4.02Å; M65-F129 HydrophobicContact CG-CZ 4.32Å; M65-F129 HydrophobicContact SD-CD1 4.45Å; Y68-F129 HydrophobicContact CD1-CD2 4.16Å; Y68-F129 AromaticContact CD1-CE2 3.69Å; Y68-F129 HydrophobicContact CD1-CE2 3.69Å; Y68-F129 HydrophobicContact CD2-CE2 4.03Å; Y68-F129 HydrophobicContact CE1-CD2 4.33Å; Y68-F129 HydrophobicContact CE1-CE2 4.19Å; Y68-F129 HydrophobicContact CE2-CE2 4.47Å; Y68-F129 HydrophobicContact CG-CD2 4.48Å; Y68-F129 AromaticContact CG-CE2 3.6Å; Y68-F129 HydrophobicContact CG-CE2 3.6Å; Y68-F129 HydrophobicContact CG-CZ 4.36Å; I125-F129 HydrophobicContact CG2-CD2 3.8Å; I125-F129 HydrophobicContact CG2-CE2 3.41Å; I125-F129 VanDerWaalsContact CG2-CE2 3.41Å; I125-F129 HydrophobicContact CG2-CZ 4.08Å; I125-F129 VanDerWaalsContact O-CD2 3.3Å; I125-F129 WeakPolarHBondContact O-CD2 3.48Å; I125-F129 PolarHBondContact O-N 3.46Å; D126-F129 PolarHBondContact O-N 2.93Å; F129-R133 WeakPolarHBondContact O-CB 3.23Å; F129-R133 WeakPolarHBondContact O-CG 3.45Å; F129-R133 PolarHBondContact O-N 2.94Å; F129-R133 VanDerWaalsContact O-N 3.09Å
130F90Very high89.5Confident29 Ų2943.9 Ų43.913%0.12721%0.21CC..Hα-helixtrans-62.8-43.6176-61.5-18.2000111.7D126 T127 F128 R133 K134 N135 Q138 I139 H143D126-F130 WeakPolarHBondContact O-CD1 3.5Å; D126-F130 VanDerWaalsContact O-CG 3.29Å; D126-F130 WeakPolarHBondContact O-CG 3.46Å; D126-F130 PolarHBondContact O-N 3.32Å; T127-F130 PolarHBondContact O-N 3.49Å; F128-F130 VanDerWaalsContact C-N 3.33Å; F128-F130 PolarHBondContact O-N 3.32Å; F130-R133 PolarHBondContact O-N 3.22Å; F130-K134 PolarHBondContact O-N 3.15Å; F130-N135 PolarHBondContact O-N 3.23Å; F130-Q138 HydrophobicContact CD1-CB 4.42Å; F130-Q138 HydrophobicContact CD2-CB 3.83Å; F130-Q138 HydrophobicContact CE2-CB 3.95Å; F130-Q138 HydrophobicContact CG-CB 4.08Å; F130-Q138 HydrophobicContact CZ-CB 4.33Å; F130-I139 HydrophobicContact CB-CD1 4.08Å; F130-I139 HydrophobicContact CB-CG1 3.8Å; F130-I139 HydrophobicContact CD2-CG1 4.27Å; F130-H143 AromaticContact CE2-CE1 3.63Å; F130-H143 AromaticContact CE2-NE2 4Å
131I91.1Very high89.2Confident5 Ų550.9 Ų50.93%0.02624%0.24CC..Hα-helixtrans-63.3-50.3177.2-67.5165.4000110.9I45 G49 P50 M53 T127 F128 R133 K134 I139I45-I131 HydrophobicContact CG2-CD1 3.93Å; G49-I131 VanDerWaalsContact C-CG2 3.46Å; P50-I131 HydrophobicContact CG-CG1 4.41Å; M53-I131 HydrophobicContact CG-CG2 3.92Å; T127-I131 HydrophobicContact CG2-CD1 4.43Å; T127-I131 VanDerWaalsContact O-CG1 3.28Å; T127-I131 WeakPolarHBondContact O-CG1 3.34Å; T127-I131 PolarHBondContact O-N 3.47Å; F128-I131 PolarHBondContact O-N 3.12Å; I131-R133 PolarHBondContact O-N 2.84Å; I131-K134 PolarHBondContact O-N 3.31Å; I131-I139 HydrophobicContact CD1-CD1 4.44Å; I131-I139 HydrophobicContact CG1-CD1 3.5Å; I131-I139 VanDerWaalsContact CG1-CD1 3.5Å
132L89.6Confident88.9Confident31 Ų3150 Ų5016%0.16224%0.236CC..Hα-helixtrans-61.2-30.3-178.6-73.5-175.2000113.1M53 Y59 F128 K134M53-L132 VanDerWaalsContact CE-O 3.27Å; M53-L132 WeakPolarHBondContact CE-O 3.31Å; M53-L132 HydrophobicContact SD-CD2 4.29Å; Y59-L132 HydrophobicContact CD2-CD2 4.02Å; Y59-L132 HydrophobicContact CE2-CD2 4.4Å; Y59-L132 PolarHBondContact N-O 3.49Å; F128-L132 HydrophobicContact CD1-CD1 3.78Å; F128-L132 HydrophobicContact CD1-CG 4.31Å; F128-L132 HydrophobicContact CE1-CD1 3.28Å; F128-L132 HydrophobicContact CE1-CG 4.02Å; F128-L132 HydrophobicContact CE2-CD1 4.39Å; F128-L132 HydrophobicContact CE2-CD2 4.38Å; F128-L132 HydrophobicContact CE2-CG 4.29Å; F128-L132 HydrophobicContact CZ-CD1 3.64Å; F128-L132 HydrophobicContact CZ-CD2 4.14Å; F128-L132 HydrophobicContact CZ-CG 3.99Å; F128-L132 WeakPolarHBondContact O-CG 3.45Å; F128-L132 PolarHBondContact O-N 3.39Å; L132-K134 VanDerWaalsContact C-N 3.33Å
133R88.4Confident88.7Confident91 Ų9149.4 Ų49.434%0.34323%0.232SC..THydrogen-bonded Turntrans-88.23176.5-71.6-175.462.6-165-7.5114.1M65 F129 F130 I131 N135M65-R133 WeakPolarHBondContact SD-CD 3.3Å; M65-R133 PolarHBondContact SD-NH1 3.28Å; M65-R133 VanDerWaalsContact SD-NH1 3.42Å; F129-R133 WeakPolarHBondContact O-CB 3.23Å; F129-R133 WeakPolarHBondContact O-CG 3.45Å; F129-R133 PolarHBondContact O-N 2.94Å; F129-R133 VanDerWaalsContact O-N 3.09Å; F130-R133 PolarHBondContact O-N 3.22Å; I131-R133 PolarHBondContact O-N 2.84Å; R133-N135 HydrophobicContact CB-CB 4.38Å; R133-N135 PolarHBondContact O-N 3.46Å
134K86.4Confident88.6Confident76 Ų7650.7 Ų50.733%0.3324%0.24SC..THydrogen-bonded Turntrans55.628.1-171.2-64.7-171.7164.1-171.90113.7M53 K54 R56 P58 F130 I131 L132 N136M53-K134 HydrophobicContact CE-CG 4.38Å; M53-K134 WeakPolarHBondContact O-CE 3.38Å; M53-K134 PolarHBondContact O-NZ 3.3Å; K54-K134 PolarHBondContact O-NZ 3Å; R56-K134 WeakPolarHBondContact O-CE 3.35Å; R56-K134 PolarHBondContact O-NZ 2.86Å; P58-K134 HydrophobicContact CB-CB 4.49Å; P58-K134 HydrophobicContact CB-CD 4.45Å; P58-K134 HydrophobicContact CB-CG 4.26Å; F130-K134 PolarHBondContact O-N 3.15Å; I131-K134 PolarHBondContact O-N 3.31Å; L132-K134 VanDerWaalsContact C-N 3.33Å; K134-N136 PolarHBondContact O-N 3.45Å
135N84.7Confident88.4Confident33 Ų3353.3 Ų53.318%0.17625%0.25CC..  trans-87.351.6-176.3-147.719.8000112.5F130 R133 H137 Q138F130-N135 PolarHBondContact O-N 3.23Å; R133-N135 HydrophobicContact CB-CB 4.38Å; R133-N135 PolarHBondContact O-N 3.46Å; N135-H137 PolarHBondContact O-N 2.87Å; N135-H137 PolarHBondContact OD1-CE1 3.17Å; N135-H137 PolarHBondContact OD1-ND1 3.05Å; N135-Q138 WeakPolarHBondContact ND2-CG 3.41Å; N135-Q138 PolarHBondContact ND2-NE2 3.49Å; N135-Q138 PolarHBondContact ND2-OE1 2.95Å; N135-Q138 PolarHBondContact O-N 3.36Å
136N83.1Confident88.3Confident80 Ų8051 Ų5143%0.42824%0.238SC..G310 helixtrans-61.2-22.2-170.2-65.3-27.6000113.4K134 Q138 I139K134-N136 PolarHBondContact O-N 3.45Å; N136-Q138 PolarHBondContact O-N 3.4Å; N136-I139 PolarHBondContact O-N 3.07Å; N136-I139 VanDerWaalsContact O-N 3.16Å
137H81.6Confident88.3Confident140 Ų14051 Ų5165%0.64824%0.237SC*.G310 helixtrans-66-20.717679.4-98.6000113.4N135N135-H137 PolarHBondContact O-N 2.87Å; N135-H137 PolarHBondContact OD1-CE1 3.17Å; N135-H137 PolarHBondContact OD1-ND1 3.05Å
138Q83.3Confident88.3Confident56 Ų5651.7 Ų51.726%0.26224%0.243SC..G310 helixtrans-83.8-23.1175.8-64.5-170.2-41.800112.3F130 N135 N136 T140F130-Q138 HydrophobicContact CD1-CB 4.42Å; F130-Q138 HydrophobicContact CD2-CB 3.83Å; F130-Q138 HydrophobicContact CE2-CB 3.95Å; F130-Q138 HydrophobicContact CG-CB 4.08Å; F130-Q138 HydrophobicContact CZ-CB 4.33Å; N135-Q138 WeakPolarHBondContact ND2-CG 3.41Å; N135-Q138 PolarHBondContact ND2-NE2 3.49Å; N135-Q138 PolarHBondContact ND2-OE1 2.95Å; N135-Q138 PolarHBondContact O-N 3.36Å; N136-Q138 PolarHBondContact O-N 3.4Å; Q138-T140 PolarHBondContact O-N 3.27Å
139I87.9Confident88.3Confident31 Ų3147.9 Ų47.916%0.15923%0.229CC..  trans-81.470.3177.6-48.3175.5000108.5V46 T127 F130 I131 N136 V144V46-I139 HydrophobicContact CG1-CG2 3.96Å; T127-I139 HydrophobicContact CG2-CD1 4.48Å; T127-I139 HydrophobicContact CG2-CG1 4.39Å; T127-I139 HydrophobicContact CG2-CG2 4.27Å; F130-I139 HydrophobicContact CB-CD1 4.08Å; F130-I139 HydrophobicContact CB-CG1 3.8Å; F130-I139 HydrophobicContact CD2-CG1 4.27Å; I131-I139 HydrophobicContact CD1-CD1 4.44Å; I131-I139 HydrophobicContact CG1-CD1 3.5Å; I131-I139 VanDerWaalsContact CG1-CD1 3.5Å; N136-I139 PolarHBondContact O-N 3.07Å; N136-I139 VanDerWaalsContact O-N 3.16Å; I139-V144 HydrophobicContact CG2-CG2 3.7Å
140T88.8Confident88.3Confident48 Ų4847.7 Ų47.729%0.29423%0.228SC..  trans-82.7163.2178.164.20000111.2Q138 L142 H143 V144Q138-T140 PolarHBondContact O-N 3.27Å; T140-L142 PolarHBondContact O-N 2.95Å; T140-H143 WeakPolarHBondContact O-CB 3.42Å; T140-H143 PolarHBondContact O-N 3.47Å; T140-H143 VanDerWaalsContact O-N 3.15Å; T140-H143 PolarHBondContact OG1-N 3.36Å; T140-V144 PolarHBondContact O-N 2.95Å; T140-V144 VanDerWaalsContact O-N 3.11Å
141F87.4Confident88.3Confident149 Ų14946.3 Ų46.365%0.65422%0.222SC*.Hα-helixtrans-53.5-42.9171174.3-99.4000111.7H143 V144 Y145 L245F141-H143 PolarHBondContact O-N 2.86Å; F141-V144 PolarHBondContact O-N 3.48Å; F141-Y145 WeakPolarHBondContact O-CB 3.35Å; F141-Y145 PolarHBondContact O-N 2.88Å; F141-L245 HydrophobicContact CD1-CD2 4.05Å; F141-L245 HydrophobicContact CE1-CD2 3.88Å
142L85.8Confident88.3Confident20 Ų2047.1 Ų47.111%0.10523%0.226CC..Hα-helixtrans-59.5-45.4177.917456.5000112T140 H146 F242 L245 F246 F249T140-L142 PolarHBondContact O-N 2.95Å; L142-H146 VanDerWaalsContact O-CB 3.26Å; L142-H146 WeakPolarHBondContact O-CB 3.43Å; L142-H146 PolarHBondContact O-N 3.29Å; L142-F242 HydrophobicContact CD1-CE1 4.43Å; L142-L245 HydrophobicContact CD1-CB 3.76Å; L142-L245 HydrophobicContact CD1-CD1 4.24Å; L142-F246 HydrophobicContact CD1-CD2 3.82Å; L142-F246 HydrophobicContact CD1-CE2 3.68Å; L142-F246 HydrophobicContact CD2-CD1 4.19Å; L142-F246 HydrophobicContact CD2-CD2 3.76Å; L142-F246 HydrophobicContact CD2-CE1 4.2Å; L142-F246 HydrophobicContact CD2-CE2 3.77Å; L142-F246 HydrophobicContact CD2-CG 3.98Å; L142-F246 HydrophobicContact CD2-CZ 4Å; L142-F246 HydrophobicContact CG-CD2 4.33Å; L142-F246 HydrophobicContact CG-CE2 4.05Å; L142-F246 HydrophobicContact CG-CZ 4.46Å; L142-F249 HydrophobicContact CD2-CB 4.19Å; L142-F249 HydrophobicContact CD2-CG 4.5Å
143H88.9Confident88.3Confident29 Ų2946.6 Ų46.613%0.13422%0.224CC..Hα-helixtrans-58.9-53.6178.2-177.982.9000111.3T127 F130 T140 F141 H146 H147T127-H143 PolarHBondContact OG1-NE2 3.22Å; F130-H143 AromaticContact CE2-CE1 3.63Å; F130-H143 AromaticContact CE2-NE2 4Å; T140-H143 WeakPolarHBondContact O-CB 3.42Å; T140-H143 PolarHBondContact O-N 3.47Å; T140-H143 VanDerWaalsContact O-N 3.15Å; T140-H143 PolarHBondContact OG1-N 3.36Å; F141-H143 PolarHBondContact O-N 2.86Å; H143-H146 PolarHBondContact O-N 3.29Å; H143-H147 AromaticContact CD2-CD2 3.81Å; H143-H147 AromaticContact CE1-CD2 3.21Å; H143-H147 PolarHBondContact CE1-CD2 3.47Å; H143-H147 AromaticContact CE1-NE2 3.1Å; H143-H147 PolarHBondContact CE1-NE2 2.72Å; H143-H147 AromaticContact CG-CD2 3.94Å; H143-H147 AromaticContact ND1-CD2 3.61Å; H143-H147 AromaticContact ND1-NE2 3.59Å; H143-H147 AromaticContact NE2-CD2 3.36Å; H143-H147 PolarHBondContact NE2-CD2 2.92Å; H143-H147 AromaticContact NE2-NE2 3.71Å; H143-H147 PolarHBondContact O-CD2 3.29Å; H143-H147 PolarHBondContact O-N 3.34Å
144V92.4Very high88.4Confident27 Ų2743.3 Ų43.316%0.16421%0.211CC..Hα-helixtrans-66.4-42.8-177.1-179.30000111.4Y42 L43 V46 I139 T140 F141 H146 A148Y42-V144 HydrophobicContact CE1-CG1 4.14Å; L43-V144 HydrophobicContact CD2-CG1 3.74Å; V46-V144 HydrophobicContact CG1-CG1 4.35Å; V46-V144 HydrophobicContact CG1-CG2 3.8Å; I139-V144 HydrophobicContact CG2-CG2 3.7Å; T140-V144 PolarHBondContact O-N 2.95Å; T140-V144 VanDerWaalsContact O-N 3.11Å; F141-V144 PolarHBondContact O-N 3.48Å; V144-H146 PolarHBondContact O-N 3.35Å; V144-A148 WeakPolarHBondContact O-CB 3.15Å; V144-A148 PolarHBondContact O-N 2.81Å
145Y90.2Very high88.6Confident75 Ų7539.7 Ų39.729%0.29420%0.196SC..Hα-helixtrans-56.4-51175.2173.2-107000110.6F141 A148 S149 S241 F242 L245F141-Y145 WeakPolarHBondContact O-CB 3.35Å; F141-Y145 PolarHBondContact O-N 2.88Å; Y145-A148 PolarHBondContact O-N 3.42Å; Y145-S149 VanDerWaalsContact O-CB 3.31Å; Y145-S149 WeakPolarHBondContact O-CB 3.44Å; Y145-S149 PolarHBondContact O-N 3.37Å; Y145-S149 PolarHBondContact O-OG 3.16Å; Y145-S241 PolarHBondContact OH-OG 3.34Å; Y145-F242 HydrophobicContact CD1-CE2 4.12Å; Y145-F242 HydrophobicContact CD1-CZ 4.25Å; Y145-F242 HydrophobicContact CE1-CD2 4.22Å; Y145-F242 AromaticContact CE1-CE2 3.59Å; Y145-F242 HydrophobicContact CE1-CE2 3.59Å; Y145-F242 HydrophobicContact CE1-CZ 4.18Å; Y145-L245 HydrophobicContact CD1-CD1 3.68Å; Y145-L245 HydrophobicContact CE1-CD1 3.69Å
146H89.9Confident88.8Confident22 Ų2240 Ų4010%0.10220%0.195CC..Hα-helixtrans-60.3-52.6-179.9168-98.3000113.1L142 H143 V144 A148 S149 M150 F242L142-H146 VanDerWaalsContact O-CB 3.26Å; L142-H146 WeakPolarHBondContact O-CB 3.43Å; L142-H146 PolarHBondContact O-N 3.29Å; H143-H146 PolarHBondContact O-N 3.29Å; V144-H146 PolarHBondContact O-N 3.35Å; H146-A148 PolarHBondContact O-N 3.14Å; H146-S149 PolarHBondContact O-N 3.4Å; H146-S149 PolarHBondContact O-OG 3.22Å; H146-M150 VanDerWaalsContact CD2-CG 3.46Å; H146-M150 WeakPolarHBondContact CD2-CG 3.35Å; H146-M150 VanDerWaalsContact NE2-CE 3.35Å; H146-M150 WeakPolarHBondContact NE2-CE 3.25Å; H146-M150 WeakPolarHBondContact NE2-CG 3.48Å; H146-M150 VanDerWaalsContact O-CB 3.22Å; H146-M150 WeakPolarHBondContact O-CB 3.48Å; H146-M150 WeakPolarHBondContact O-CG 3.39Å; H146-M150 PolarHBondContact O-N 3.39Å; H146-F242 HydrophobicContact CB-CE1 3.83Å; H146-F242 HydrophobicContact CB-CZ 3.64Å; H146-F242 AromaticContact CD2-CE1 3.33Å; H146-F242 WeakPolarHBondContact CD2-CE1 3.25Å; H146-F242 AromaticContact CD2-CZ 3.42Å; H146-F242 VanDerWaalsContact CD2-CZ 3.42Å; H146-F242 WeakPolarHBondContact CD2-CZ 3.39Å; H146-F242 AromaticContact CG-CE1 3.9Å; H146-F242 AromaticContact CG-CZ 3.91Å
147H91Very high89Confident11 Ų1136.6 Ų36.65%0.05118%0.178CC..Hα-helixtrans-64.9-42.3-177.7-75.4-73.7000111.1Y42 E123 F124 H143Y42-H147 HydrophobicContact CE1-CB 4.2Å; E123-H147 IonicContact OE2-CE1 3.77Å; F124-H147 HydrophobicContact CD1-CB 4.07Å; F124-H147 HydrophobicContact CE1-CB 3.92Å; F124-H147 WeakPolarHBondContact CE1-O 3.38Å; H143-H147 AromaticContact CD2-CD2 3.81Å; H143-H147 AromaticContact CE1-CD2 3.21Å; H143-H147 PolarHBondContact CE1-CD2 3.47Å; H143-H147 AromaticContact CE1-NE2 3.1Å; H143-H147 PolarHBondContact CE1-NE2 2.72Å; H143-H147 AromaticContact CG-CD2 3.94Å; H143-H147 AromaticContact ND1-CD2 3.61Å; H143-H147 AromaticContact ND1-NE2 3.59Å; H143-H147 AromaticContact NE2-CD2 3.36Å; H143-H147 PolarHBondContact NE2-CD2 2.92Å; H143-H147 AromaticContact NE2-NE2 3.71Å; H143-H147 PolarHBondContact O-CD2 3.29Å; H143-H147 PolarHBondContact O-N 3.34Å
148A91.5Very high89.3Confident15 Ų1530 Ų3012%0.12415%0.147CC..Hα-helixtrans-65.9-41.7178.700000112.9T39 Y42 L43 V144 Y145 H146 N152T39-A148 HydrophobicContact CG2-CB 4.11Å; Y42-A148 HydrophobicContact CD1-CB 4.41Å; Y42-A148 HydrophobicContact CE1-CB 4.33Å; L43-A148 HydrophobicContact CD2-CB 4.13Å; V144-A148 WeakPolarHBondContact O-CB 3.15Å; V144-A148 PolarHBondContact O-N 2.81Å; Y145-A148 PolarHBondContact O-N 3.42Å; H146-A148 PolarHBondContact O-N 3.14Å; A148-N152 PolarHBondContact O-ND2 2.78Å
149S91.1Very high89.4Confident21 Ų2127.5 Ų27.515%0.14714%0.135CC..Hα-helixtrans-75.2-41.7-178.263.90000112.7Y145 H146 L151 N152 I153 Y238Y145-S149 VanDerWaalsContact O-CB 3.31Å; Y145-S149 WeakPolarHBondContact O-CB 3.44Å; Y145-S149 PolarHBondContact O-N 3.37Å; Y145-S149 PolarHBondContact O-OG 3.16Å; H146-S149 PolarHBondContact O-N 3.4Å; H146-S149 PolarHBondContact O-OG 3.22Å; S149-L151 PolarHBondContact O-N 2.91Å; S149-N152 PolarHBondContact O-N 3.5Å; S149-I153 WeakPolarHBondContact O-CG1 3.45Å; S149-I153 PolarHBondContact O-N 2.97Å; S149-Y238 PolarHBondContact OG-OH 3.39Å
150M90.4Very high89.1Confident12 Ų1227.3 Ų27.36%0.05913%0.133CC..Hα-helixtrans-59.9-43.7-173.4-78.2-65.3-130.700112.7H146 N152 I153 W154 Y238H146-M150 VanDerWaalsContact CD2-CG 3.46Å; H146-M150 WeakPolarHBondContact CD2-CG 3.35Å; H146-M150 VanDerWaalsContact NE2-CE 3.35Å; H146-M150 WeakPolarHBondContact NE2-CE 3.25Å; H146-M150 WeakPolarHBondContact NE2-CG 3.48Å; H146-M150 VanDerWaalsContact O-CB 3.22Å; H146-M150 WeakPolarHBondContact O-CB 3.48Å; H146-M150 WeakPolarHBondContact O-CG 3.39Å; H146-M150 PolarHBondContact O-N 3.39Å; M150-N152 VanDerWaalsContact C-N 3.33Å; M150-N152 PolarHBondContact O-N 3.14Å; M150-I153 PolarHBondContact O-N 3.07Å; M150-W154 WeakPolarHBondContact O-CB 3.41Å; M150-W154 VanDerWaalsContact O-CD1 3.3Å; M150-W154 PolarHBondContact O-N 3.29Å; M150-Y238 WeakPolarHBondContact CG-OH 3.31Å; M150-Y238 HydrophobicContact SD-CE1 3.89Å; M150-Y238 PolarHBondContact SD-OH 3.06Å
151L91.5Very high88.9Confident1 Ų125.4 Ų25.41%0.00512%0.121CC..Hα-helixtrans-61.5-42.8179.9-17569.4000111.6T35 L38 Y117 K120 L121 F124 S149 W155T35-L151 HydrophobicContact CG2-CD2 4.06Å; T35-L151 HydrophobicContact CG2-CG 3.81Å; L38-L151 HydrophobicContact CB-CD2 4.4Å; Y117-L151 HydrophobicContact CD2-CD1 4.04Å; Y117-L151 HydrophobicContact CE2-CD1 3.53Å; Y117-L151 HydrophobicContact CE2-CG 4.23Å; Y117-L151 WeakPolarHBondContact CE2-O 3.37Å; K120-L151 HydrophobicContact CB-CD1 4.17Å; L121-L151 HydrophobicContact CB-CD1 4.21Å; L121-L151 HydrophobicContact CD1-CD2 4.3Å; F124-L151 HydrophobicContact CE1-CB 4.42Å; F124-L151 HydrophobicContact CE2-CD2 3.61Å; F124-L151 HydrophobicContact CZ-CB 3.91Å; F124-L151 HydrophobicContact CZ-CD2 3.54Å; F124-L151 HydrophobicContact CZ-CG 4.31Å; S149-L151 PolarHBondContact O-N 2.91Å; L151-W155 PolarHBondContact O-N 3.1Å
152N90.6Very high88.4Confident21 Ų2118.3 Ų18.311%0.1129%0.089CC..Hα-helixtrans-70.1-45.1-179.8-72.7-82.2000112Y32 T39 A148 S149 M150 W154 W155 F156Y32-N152 PolarHBondContact OH-OD1 2.88Å; T39-N152 WeakPolarHBondContact CG2-ND2 3.28Å; T39-N152 PolarHBondContact OG1-ND2 3.29Å; A148-N152 PolarHBondContact O-ND2 2.78Å; S149-N152 PolarHBondContact O-N 3.5Å; M150-N152 VanDerWaalsContact C-N 3.33Å; M150-N152 PolarHBondContact O-N 3.14Å; N152-W154 VanDerWaalsContact C-N 3.32Å; N152-W154 PolarHBondContact O-N 3.14Å; N152-W155 WeakPolarHBondContact O-CB 3.46Å; N152-W155 PolarHBondContact O-N 3.39Å; N152-F156 WeakPolarHBondContact O-CD2 3.32Å; N152-F156 PolarHBondContact O-N 3.18Å
153I90.2Very high87.9Confident20 Ų2017.3 Ų17.310%0.1038%0.084CC..Hα-helixtrans-60.9-44.9179-70.3167.7000110.2S149 M150 W155 F156 V157 F234 Y238S149-I153 WeakPolarHBondContact O-CG1 3.45Å; S149-I153 PolarHBondContact O-N 2.97Å; M150-I153 PolarHBondContact O-N 3.07Å; I153-W155 VanDerWaalsContact C-N 3.3Å; I153-W155 PolarHBondContact O-N 3.43Å; I153-F156 WeakPolarHBondContact O-CB 3.39Å; I153-F156 PolarHBondContact O-N 2.88Å; I153-F156 VanDerWaalsContact O-N 3.14Å; I153-V157 HydrophobicContact CG2-CG2 4.21Å; I153-V157 WeakPolarHBondContact O-CG2 3.24Å; I153-V157 PolarHBondContact O-N 3.45Å; I153-F234 HydrophobicContact CD1-CE1 4.41Å; I153-F234 HydrophobicContact CD1-CZ 4.24Å; I153-F234 HydrophobicContact CG1-CE1 4.2Å; I153-F234 HydrophobicContact CG1-CZ 4.05Å; I153-F234 HydrophobicContact CG2-CE1 3.97Å; I153-Y238 HydrophobicContact CD1-CD1 4.12Å; I153-Y238 HydrophobicContact CD1-CD2 3.56Å; I153-Y238 HydrophobicContact CD1-CE1 3.84Å; I153-Y238 HydrophobicContact CD1-CE2 3.21Å; I153-Y238 HydrophobicContact CD1-CG 3.99Å
154W90.1Very high87.5Confident22 Ų2216 Ų168%0.0838%0.078CC..Hα-helixtrans-68-28.6-179.6-86.893.1000113.7L113 Y116 Y117 M150 N152 F156 V157 M158 A170L113-W154 HydrophobicContact CB-CZ3 4.45Å; L113-W154 HydrophobicContact CD2-CH2 3.89Å; L113-W154 HydrophobicContact CD2-CZ3 3.86Å; Y116-W154 AromaticContact CD1-CD2 3.71Å; Y116-W154 HydrophobicContact CD1-CD2 3.71Å; Y116-W154 AromaticContact CD1-CE2 3.64Å; Y116-W154 AromaticContact CD1-CE3 3.92Å; Y116-W154 HydrophobicContact CD1-CE3 3.92Å; Y116-W154 HydrophobicContact CD1-CG 4.33Å; Y116-W154 AromaticContact CD1-CH2 3.98Å; Y116-W154 HydrophobicContact CD1-CH2 3.98Å; Y116-W154 AromaticContact CD1-CZ2 3.75Å; Y116-W154 HydrophobicContact CD1-CZ2 3.75Å; Y116-W154 HydrophobicContact CD1-CZ3 4.05Å; Y116-W154 AromaticContact CE1-CD1 3.92Å; Y116-W154 AromaticContact CE1-CD2 3.67Å; Y116-W154 HydrophobicContact CE1-CD2 3.67Å; Y116-W154 AromaticContact CE1-CE2 3.17Å; Y116-W154 HydrophobicContact CE1-CE3 4.31Å; Y116-W154 HydrophobicContact CE1-CG 4.12Å; Y116-W154 HydrophobicContact CE1-CH2 4.09Å; Y116-W154 AromaticContact CE1-CZ2 3.39Å; Y116-W154 HydrophobicContact CE1-CZ2 3.39Å; Y116-W154 HydrophobicContact CE1-CZ3 4.5Å; Y116-W154 AromaticContact CE1-NE1 3.36Å; Y117-W154 HydrophobicContact CD2-CB 3.89Å; M150-W154 WeakPolarHBondContact O-CB 3.41Å; M150-W154 VanDerWaalsContact O-CD1 3.3Å; M150-W154 PolarHBondContact O-N 3.29Å; N152-W154 VanDerWaalsContact C-N 3.32Å; N152-W154 PolarHBondContact O-N 3.14Å; W154-F156 VanDerWaalsContact C-N 3.33Å; W154-F156 PolarHBondContact O-N 3.37Å; W154-V157 HydrophobicContact CE3-CB 4.17Å; W154-V157 HydrophobicContact CE3-CG1 3.93Å; W154-V157 HydrophobicContact CH2-CG1 4.35Å; W154-V157 HydrophobicContact CZ3-CB 4.49Å; W154-V157 HydrophobicContact CZ3-CG1 3.76Å; W154-V157 PolarHBondContact O-N 3.49Å; W154-M158 HydrophobicContact CE3-CG 4.45Å; W154-M158 WeakPolarHBondContact O-CB 3.39Å; W154-M158 VanDerWaalsContact O-CG 3.25Å; W154-M158 WeakPolarHBondContact O-CG 3.46Å; W154-M158 PolarHBondContact O-N 3.25Å; W154-A170 HydrophobicContact CH2-CB 3.75Å; W154-A170 HydrophobicContact CZ2-CB 4.06Å
155W90.5Very high86.8Confident1 Ų115.2 Ų15.20%0.0047%0.073CC..Hα-helixtrans-61.1-43.5170.5-174.591.2000111.8F12 L28 L29 N31 Y32 T35 Y117 L151 N152 I153 N159 W160F12-W155 HydrophobicContact CD2-CH2 4.48Å; L28-W155 VanDerWaalsContact O-CD1 3.25Å; L28-W155 PolarHBondContact O-NE1 3.34Å; L28-W155 VanDerWaalsContact O-NE1 3.14Å; L29-W155 WeakPolarHBondContact O-CZ2 3.27Å; L29-W155 PolarHBondContact O-NE1 3.45Å; N31-W155 PolarHBondContact O-NE1 3.46Å; Y32-W155 AromaticContact CD2-CD2 3.62Å; Y32-W155 HydrophobicContact CD2-CD2 3.62Å; Y32-W155 AromaticContact CD2-CE3 3.48Å; Y32-W155 HydrophobicContact CD2-CE3 3.48Å; Y32-W155 VanDerWaalsContact CD2-CE3 3.48Å; Y32-W155 HydrophobicContact CD2-CG 4.19Å; Y32-W155 HydrophobicContact CD2-CH2 4.3Å; Y32-W155 HydrophobicContact CD2-CZ2 4.39Å; Y32-W155 AromaticContact CD2-CZ3 3.83Å; Y32-W155 HydrophobicContact CD2-CZ3 3.83Å; Y32-W155 HydrophobicContact CE2-CD2 4.43Å; Y32-W155 HydrophobicContact CE2-CE3 4.19Å; Y32-W155 HydrophobicContact CG-CD2 4.49Å; Y32-W155 HydrophobicContact CG-CE3 4.26Å; Y32-W155 HydrophobicContact CG-CH2 4.32Å; Y32-W155 HydrophobicContact CG-CZ3 4.16Å; T35-W155 HydrophobicContact CG2-CB 4.09Å; T35-W155 HydrophobicContact CG2-CG 4.33Å; T35-W155 VanDerWaalsContact OG1-CD1 3.25Å; Y117-W155 HydrophobicContact CE2-CB 3.98Å; L151-W155 PolarHBondContact O-N 3.1Å; N152-W155 WeakPolarHBondContact O-CB 3.46Å; N152-W155 PolarHBondContact O-N 3.39Å; I153-W155 VanDerWaalsContact C-N 3.3Å; I153-W155 PolarHBondContact O-N 3.43Å; W155-N159 WeakPolarHBondContact CZ2-ND2 3.21Å; W155-N159 PolarHBondContact O-N 3.25Å; W155-N159 VanDerWaalsContact O-N 3.14Å; W155-N159 PolarHBondContact O-ND2 3.25Å; W155-W160 HydrophobicContact CE3-CZ3 4.48Å; W155-W160 HydrophobicContact CH2-CZ3 4.31Å; W155-W160 HydrophobicContact CZ3-CH2 4.23Å; W155-W160 AromaticContact CZ3-CZ3 3.76Å; W155-W160 HydrophobicContact CZ3-CZ3 3.76Å
156F87.9Confident86.4Confident38 Ų3812.5 Ų12.517%0.1677%0.065CC..Hα-helixtrans-67.8-43.5175.4-71.3-65.3000112F12 M16 Y32 N152 I153 W154 M158 N159 W160 W231F12-F156 HydrophobicContact CD1-CE1 4.11Å; F12-F156 AromaticContact CE1-CE1 3.89Å; F12-F156 HydrophobicContact CE1-CE1 3.89Å; F12-F156 HydrophobicContact CE1-CZ 4.04Å; F12-F156 HydrophobicContact CE2-CE1 4.49Å; F12-F156 HydrophobicContact CZ-CE1 4.09Å; F12-F156 HydrophobicContact CZ-CZ 4.07Å; M16-F156 HydrophobicContact CE-CD1 3.36Å; M16-F156 HydrophobicContact CE-CE1 3.6Å; M16-F156 HydrophobicContact CE-CG 4.43Å; M16-F156 HydrophobicContact SD-CD1 4.43Å; Y32-F156 HydrophobicContact CD2-CZ 4.38Å; Y32-F156 HydrophobicContact CE2-CE2 4.01Å; Y32-F156 HydrophobicContact CE2-CZ 4.01Å; N152-F156 WeakPolarHBondContact O-CD2 3.32Å; N152-F156 PolarHBondContact O-N 3.18Å; I153-F156 WeakPolarHBondContact O-CB 3.39Å; I153-F156 PolarHBondContact O-N 2.88Å; I153-F156 VanDerWaalsContact O-N 3.14Å; W154-F156 VanDerWaalsContact C-N 3.33Å; W154-F156 PolarHBondContact O-N 3.37Å; F156-M158 VanDerWaalsContact C-N 3.32Å; F156-M158 PolarHBondContact O-N 3.01Å; F156-N159 PolarHBondContact O-N 2.63Å; F156-W160 HydrophobicContact CD1-CE3 4.23Å; F156-W160 HydrophobicContact CD1-CH2 4.45Å; F156-W160 AromaticContact CD1-CZ3 3.7Å; F156-W160 HydrophobicContact CD1-CZ3 3.7Å; F156-W160 HydrophobicContact CE1-CZ3 4.37Å; F156-W160 PolarHBondContact O-N 2.86Å; F156-W160 VanDerWaalsContact O-N 3.16Å; F156-W231 HydrophobicContact CB-CH2 3.83Å; F156-W231 HydrophobicContact CB-CZ3 4.16Å
157V88Confident86.2Confident10 Ų1011.9 Ų11.96%0.0616%0.062CC..Hα-helixtrans-58.5-45.8176.5171.60000110.7I153 W154 N159 W160 I161I153-V157 HydrophobicContact CG2-CG2 4.21Å; I153-V157 WeakPolarHBondContact O-CG2 3.24Å; I153-V157 PolarHBondContact O-N 3.45Å; W154-V157 HydrophobicContact CE3-CB 4.17Å; W154-V157 HydrophobicContact CE3-CG1 3.93Å; W154-V157 HydrophobicContact CH2-CG1 4.35Å; W154-V157 HydrophobicContact CZ3-CB 4.49Å; W154-V157 HydrophobicContact CZ3-CG1 3.76Å; W154-V157 PolarHBondContact O-N 3.49Å; V157-N159 VanDerWaalsContact C-N 3.34Å; V157-N159 PolarHBondContact O-N 3.43Å; V157-W160 PolarHBondContact O-N 3.23Å; V157-I161 HydrophobicContact CB-CG1 4.36Å; V157-I161 HydrophobicContact CG1-CD1 4.2Å; V157-I161 HydrophobicContact CG1-CG1 4.05Å; V157-I161 HydrophobicContact CG2-CD1 4.29Å; V157-I161 CarbonylContact O-C 3.57Å; V157-I161 WeakPolarHBondContact O-CA 3.41Å; V157-I161 WeakPolarHBondContact O-CG1 3.35Å; V157-I161 PolarHBondContact O-N 3.29Å
158M87.6Confident86Confident0 Ų013.2 Ų13.20%07%0.067CC..Hα-helixtrans-65.1-34.5178.9-72.8-58.3-62.200113.3V23 L29 I110 L113 W114 W154 F156 P162V23-M158 HydrophobicContact CG1-CE 4.14Å; V23-M158 WeakPolarHBondContact CG1-O 3.35Å; V23-M158 WeakPolarHBondContact CG2-O 3.41Å; L29-M158 HydrophobicContact CD1-CB 3.83Å; L29-M158 HydrophobicContact CD1-CE 4Å; L29-M158 HydrophobicContact CD1-CG 4.37Å; L29-M158 HydrophobicContact CD2-CB 3.71Å; L29-M158 HydrophobicContact CD2-CG 4.3Å; L29-M158 HydrophobicContact CG-CB 4.48Å; I110-M158 HydrophobicContact CG2-CE 4.32Å; L113-M158 HydrophobicContact CB-CE 4.23Å; L113-M158 HydrophobicContact CB-SD 3.54Å; L113-M158 VanDerWaalsContact CB-SD 3.54Å; W114-M158 HydrophobicContact CB-CE 3.91Å; W154-M158 HydrophobicContact CE3-CG 4.45Å; W154-M158 WeakPolarHBondContact O-CB 3.39Å; W154-M158 VanDerWaalsContact O-CG 3.25Å; W154-M158 WeakPolarHBondContact O-CG 3.46Å; W154-M158 PolarHBondContact O-N 3.25Å; F156-M158 VanDerWaalsContact C-N 3.32Å; F156-M158 PolarHBondContact O-N 3.01Å; M158-P162 HydrophobicContact CE-CB 4.17Å; M158-P162 VanDerWaalsContact O-CB 3.32Å; M158-P162 WeakPolarHBondContact O-CB 3.49Å; M158-P162 HydrophobicContact SD-CB 4.32Å
159N85.1Confident85.8Confident4 Ų413.1 Ų13.12%0.0217%0.068CC..Hα-helixtrans-77.9-27.4-178-86.8-84000113.9R19 D20 L29 W155 F156 V157R19-N159 WeakPolarHBondContact CA-O 3.39Å; R19-N159 WeakPolarHBondContact CD-OD1 3.45Å; R19-N159 HydrophobicContact CG-CB 4.35Å; D20-N159 PolarHBondContact N-O 2.99Å; L29-N159 PolarHBondContact O-ND2 3.46Å; L29-N159 PolarHBondContact O-OD1 3.45Å; W155-N159 WeakPolarHBondContact CZ2-ND2 3.21Å; W155-N159 PolarHBondContact O-N 3.25Å; W155-N159 VanDerWaalsContact O-N 3.14Å; W155-N159 PolarHBondContact O-ND2 3.25Å; F156-N159 PolarHBondContact O-N 2.63Å; V157-N159 VanDerWaalsContact C-N 3.34Å; V157-N159 PolarHBondContact O-N 3.43Å
160W83Confident85.7Confident27 Ų2712.1 Ų12.110%0.1026%0.061CC..Hα-helixtrans-116.4-31.1-175.2-80.2-87.9000115F12 M16 G17 R19 W155 F156 V157 W231F12-W160 HydrophobicContact CB-CH2 3.64Å; F12-W160 HydrophobicContact CB-CZ2 3.87Å; F12-W160 HydrophobicContact CG-CH2 4.34Å; M16-W160 HydrophobicContact CB-CD2 4.14Å; M16-W160 VanDerWaalsContact CB-CE2 3.49Å; M16-W160 HydrophobicContact CB-CG 4.38Å; M16-W160 HydrophobicContact CB-CZ2 3.87Å; M16-W160 VanDerWaalsContact CB-NE1 3.34Å; M16-W160 HydrophobicContact CE-CD2 3.92Å; M16-W160 HydrophobicContact CE-CE3 3.68Å; M16-W160 HydrophobicContact CE-CH2 3.32Å; M16-W160 HydrophobicContact CE-CZ2 3.52Å; M16-W160 HydrophobicContact CE-CZ3 3.41Å; M16-W160 VanDerWaalsContact CE-CZ3 3.41Å; M16-W160 PolarHBondContact O-NE1 2.64Å; M16-W160 HydrophobicContact SD-CD2 4.48Å; G17-W160 PolarHBondContact O-NE1 3.05Å; R19-W160 HydrophobicContact CG-CH2 4.12Å; R19-W160 HydrophobicContact CG-CZ2 3.84Å; W155-W160 HydrophobicContact CE3-CZ3 4.48Å; W155-W160 HydrophobicContact CH2-CZ3 4.31Å; W155-W160 HydrophobicContact CZ3-CH2 4.23Å; W155-W160 AromaticContact CZ3-CZ3 3.76Å; W155-W160 HydrophobicContact CZ3-CZ3 3.76Å; F156-W160 HydrophobicContact CD1-CE3 4.23Å; F156-W160 HydrophobicContact CD1-CH2 4.45Å; F156-W160 AromaticContact CD1-CZ3 3.7Å; F156-W160 HydrophobicContact CD1-CZ3 3.7Å; F156-W160 HydrophobicContact CE1-CZ3 4.37Å; F156-W160 PolarHBondContact O-N 2.86Å; F156-W160 VanDerWaalsContact O-N 3.16Å; V157-W160 PolarHBondContact O-N 3.23Å; W160-W231 HydrophobicContact CB-CZ2 3.7Å; W160-W231 HydrophobicContact CD2-CZ2 4.32Å; W160-W231 AromaticContact CG-CZ2 3.96Å; W160-W231 HydrophobicContact CG-CZ2 3.96Å
161I82.8Confident85.8Confident8 Ų812.3 Ų12.34%0.0416%0.064CC..  trans-141.759-174.447.3162000111.4V157 C163 S166 F227 P228 W231V157-I161 HydrophobicContact CB-CG1 4.36Å; V157-I161 HydrophobicContact CG1-CD1 4.2Å; V157-I161 HydrophobicContact CG1-CG1 4.05Å; V157-I161 HydrophobicContact CG2-CD1 4.29Å; V157-I161 CarbonylContact O-C 3.57Å; V157-I161 WeakPolarHBondContact O-CA 3.41Å; V157-I161 WeakPolarHBondContact O-CG1 3.35Å; V157-I161 PolarHBondContact O-N 3.29Å; I161-C163 PolarHBondContact O-N 3.49Å; I161-S166 PolarHBondContact O-OG 3.04Å; I161-F227 HydrophobicContact CB-CE2 4.16Å; I161-F227 HydrophobicContact CB-CZ 3.96Å; I161-F227 HydrophobicContact CD1-CE1 4.28Å; I161-F227 HydrophobicContact CD1-CZ 3.65Å; I161-F227 HydrophobicContact CG1-CZ 4.4Å; I161-F227 HydrophobicContact CG2-CE2 4.06Å; I161-F227 HydrophobicContact CG2-CZ 3.86Å; I161-P228 HydrophobicContact CG2-CG 4.21Å; I161-W231 HydrophobicContact CD1-CB 3.77Å; I161-W231 HydrophobicContact CD1-CD2 3.73Å; I161-W231 HydrophobicContact CD1-CE3 3.96Å; I161-W231 HydrophobicContact CD1-CG 3.64Å; I161-W231 HydrophobicContact CG1-CD2 4.23Å; I161-W231 HydrophobicContact CG1-CG 4.32Å; I161-W231 HydrophobicContact CG2-CG 4.35Å
162P78.5Confident85.8Confident0 Ų014 Ų140%07%0.073CC..SBendtrans-77.415.8-17435.2-38.1000114.2D20 V23 I110 L113 M158D20-P162 HydrophobicContact CB-CG 3.85Å; D20-P162 WeakPolarHBondContact OD2-CD 3.14Å; D20-P162 VanDerWaalsContact OD2-CG 3.27Å; D20-P162 WeakPolarHBondContact OD2-CG 3.45Å; V23-P162 HydrophobicContact CG1-CB 3.74Å; V23-P162 HydrophobicContact CG1-CG 3.87Å; I110-P162 HydrophobicContact CD1-CG 4.31Å; I110-P162 HydrophobicContact CG1-CB 3.93Å; I110-P162 HydrophobicContact CG1-CG 4.11Å; I110-P162 WeakPolarHBondContact CG1-O 3.36Å; I110-P162 HydrophobicContact CG2-CB 4.24Å; L113-P162 WeakPolarHBondContact CD1-O 3.29Å; M158-P162 HydrophobicContact CE-CB 4.17Å; M158-P162 VanDerWaalsContact O-CB 3.32Å; M158-P162 WeakPolarHBondContact O-CB 3.49Å; M158-P162 HydrophobicContact SD-CB 4.32Å
163C75.6Confident85.9Confident0 Ų013.3 Ų13.30%07%0.069CC..SBendtrans-159.8-170.2178.859.40000110.4R22 T99 D106 I110 I161R22-C163 PolarHBondContact NH2-SG 3.32Å; T99-C163 WeakPolarHBondContact CA-SG 3.34Å; T99-C163 VanDerWaalsContact CB-SG 3.54Å; T99-C163 PolarHBondContact O-SG 2.76Å; D106-C163 HydrophobicContact CB-CB 4.47Å; I110-C163 HydrophobicContact CG1-CB 4.22Å; I161-C163 PolarHBondContact O-N 3.49Å
164G79.6Confident86.1Confident0 Ų012.4 Ų12.40%06%0.064CC..THydrogen-bonded Turntrans65.3-142.8-174.200000110.8Q97 S166 Y167Q97-G164 WeakPolarHBondContact O-CA 3.22Å; G164-S166 PolarHBondContact O-N 2.75Å; G164-Y167 VanDerWaalsContact O-CD1 3.23Å; G164-Y167 WeakPolarHBondContact O-CD1 3.34Å; G164-Y167 PolarHBondContact O-N 2.89Å; G164-Y167 VanDerWaalsContact O-N 3.08Å
165H78.3Confident86.3Confident11 Ų1116 Ų165%0.0518%0.081CC..THydrogen-bonded Turntrans-47.1-29.7-171.1-161.176.6000116.5Q97 Y167 F168 Q216 T217 F227Q97-H165 PolarHBondContact O-N 2.98Å; H165-Y167 PolarHBondContact O-N 2.91Å; H165-F168 PolarHBondContact O-N 3.15Å; H165-Q216 PolarHBondContact CE1-NE2 2.91Å; H165-Q216 PolarHBondContact CE1-O 2.86Å; H165-Q216 PolarHBondContact CE1-OE1 3.13Å; H165-Q216 PolarHBondContact NE2-OE1 3.33Å; H165-Q216 VanDerWaalsContact NE2-OE1 3.16Å; H165-T217 VanDerWaalsContact NE2-CA 3.31Å; H165-T217 WeakPolarHBondContact NE2-CA 3.2Å; H165-T217 PolarHBondContact NE2-OG1 3Å; H165-F227 HydrophobicContact CB-CD2 4.08Å; H165-F227 HydrophobicContact CB-CE2 3.98Å; H165-F227 HydrophobicContact CB-CG 4.4Å; H165-F227 HydrophobicContact CB-CZ 4.19Å
166S80.6Confident86.5Confident19 Ų1916.1 Ų16.113%0.1338%0.081CC..Hα-helixtrans-58.5-25.9179.1-540000114.2I161 G164 F168I161-S166 PolarHBondContact O-OG 3.04Å; G164-S166 PolarHBondContact O-N 2.75Å; S166-F168 VanDerWaalsContact C-N 3.34Å; S166-F168 PolarHBondContact O-N 3.39Å
167Y85.3Confident86.8Confident8 Ų814.8 Ų14.83%0.0318%0.076CC..Hα-helixtrans-62.5-38.7-177.191.4-85.2000112.4A87 Y92 G164 H165 G169 A170 S171A87-Y167 HydrophobicContact CB-CD2 4.03Å; A87-Y167 HydrophobicContact CB-CE2 3.55Å; Y92-Y167 AromaticContact CD1-CD1 3.79Å; Y92-Y167 HydrophobicContact CD1-CD1 3.79Å; Y92-Y167 AromaticContact CD1-CE1 3.69Å; Y92-Y167 HydrophobicContact CD1-CE1 3.69Å; Y92-Y167 HydrophobicContact CD1-CG 4.33Å; Y92-Y167 HydrophobicContact CE1-CD1 4.03Å; Y92-Y167 HydrophobicContact CE1-CE1 4.38Å; Y92-Y167 HydrophobicContact CE1-CG 4.44Å; G164-Y167 VanDerWaalsContact O-CD1 3.23Å; G164-Y167 WeakPolarHBondContact O-CD1 3.34Å; G164-Y167 PolarHBondContact O-N 2.89Å; G164-Y167 VanDerWaalsContact O-N 3.08Å; H165-Y167 PolarHBondContact O-N 2.91Å; Y167-G169 PolarHBondContact O-N 3Å; Y167-A170 PolarHBondContact O-N 3.15Å; Y167-S171 WeakPolarHBondContact O-CB 3.41Å; Y167-S171 PolarHBondContact O-N 3.14Å; Y167-S171 PolarHBondContact O-OG 3.2Å
168F86.9Confident87.1Confident39 Ų3915.5 Ų15.517%0.1718%0.08CC..Hα-helixtrans-66.4-45-169.8-179.1-98.4000112.1H165 S166 A170 S171 L172 L212 Q216H165-F168 PolarHBondContact O-N 3.15Å; S166-F168 VanDerWaalsContact C-N 3.34Å; S166-F168 PolarHBondContact O-N 3.39Å; F168-A170 VanDerWaalsContact C-N 3.33Å; F168-A170 PolarHBondContact O-N 2.67Å; F168-S171 PolarHBondContact O-N 3.44Å; F168-L172 HydrophobicContact CD1-CD1 4.02Å; F168-L172 HydrophobicContact CE1-CD1 3.39Å; F168-L172 HydrophobicContact CE1-CG 4.27Å; F168-L172 HydrophobicContact CE2-CD1 4.36Å; F168-L172 HydrophobicContact CZ-CD1 3.6Å; F168-L172 HydrophobicContact CZ-CG 4.27Å; F168-L172 PolarHBondContact O-N 3.32Å; F168-L212 HydrophobicContact CE1-CB 4.5Å; F168-Q216 VanDerWaalsContact CB-NE2 3.3Å; F168-Q216 VanDerWaalsContact CB-OE1 3.3Å; F168-Q216 HydrophobicContact CD1-CB 4Å; F168-Q216 HydrophobicContact CD1-CG 3.95Å; F168-Q216 HydrophobicContact CE1-CB 3.78Å; F168-Q216 HydrophobicContact CE1-CG 4.03Å; F168-Q216 HydrophobicContact CG-CG 4.25Å; F168-Q216 VanDerWaalsContact CG-OE1 3.27Å; F168-Q216 HydrophobicContact CZ-CB 4.42Å; F168-Q216 HydrophobicContact CZ-CG 4.45Å
169G87.8Confident87.4Confident14 Ų1418 Ų1814%0.14410%0.095CC..Hα-helixtrans-62-40.8175.400000112.2Y167 N173Y167-G169 PolarHBondContact O-N 3Å; G169-N173 VanDerWaalsContact O-CB 3.25Å; G169-N173 WeakPolarHBondContact O-CB 3.26Å; G169-N173 PolarHBondContact O-N 3.12Å
170A90.2Very high87.8Confident0 Ų018.5 Ų18.50%010%0.098CC..Hα-helixtrans-66.5-41176.200000112.6L83 L113 Y116 W154 Y167 F168 N173 S174L83-A170 HydrophobicContact CD1-CB 3.95Å; L113-A170 HydrophobicContact CD2-CB 3.46Å; L113-A170 VanDerWaalsContact CD2-CB 3.46Å; Y116-A170 HydrophobicContact CD1-CB 4.37Å; Y116-A170 HydrophobicContact CD2-CB 3.97Å; Y116-A170 HydrophobicContact CE1-CB 4.5Å; Y116-A170 HydrophobicContact CE2-CB 4.04Å; Y116-A170 HydrophobicContact CG-CB 4.12Å; W154-A170 HydrophobicContact CH2-CB 3.75Å; W154-A170 HydrophobicContact CZ2-CB 4.06Å; Y167-A170 PolarHBondContact O-N 3.15Å; F168-A170 VanDerWaalsContact C-N 3.33Å; F168-A170 PolarHBondContact O-N 2.67Å; A170-N173 PolarHBondContact O-N 3.5Å; A170-S174 VanDerWaalsContact O-CB 3.28Å; A170-S174 WeakPolarHBondContact O-CB 3.33Å; A170-S174 PolarHBondContact O-N 3Å; A170-S174 PolarHBondContact O-OG 2.83Å
171S91.4Very high88.3Confident15 Ų1517.4 Ų17.411%0.1059%0.093CC..Hα-helixtrans-60.9-51.6176.4-63.70000111.5L83 Y167 F168 N173 S174 F175L83-S171 WeakPolarHBondContact CB-OG 3.33Å; Y167-S171 WeakPolarHBondContact O-CB 3.41Å; Y167-S171 PolarHBondContact O-N 3.14Å; Y167-S171 PolarHBondContact O-OG 3.2Å; F168-S171 PolarHBondContact O-N 3.44Å; S171-N173 PolarHBondContact O-N 3.26Å; S171-S174 PolarHBondContact O-N 3.36Å; S171-F175 PolarHBondContact O-N 3.45Å
172L92Very high88.7Confident38 Ų3819.2 Ų19.220%0.19911%0.107CC..Hα-helixtrans-64.7-41.6178.8-70.2-179.3000111.7F168 S174 F175 V176 Q209 L212F168-L172 HydrophobicContact CD1-CD1 4.02Å; F168-L172 HydrophobicContact CE1-CD1 3.39Å; F168-L172 HydrophobicContact CE1-CG 4.27Å; F168-L172 HydrophobicContact CE2-CD1 4.36Å; F168-L172 HydrophobicContact CZ-CD1 3.6Å; F168-L172 HydrophobicContact CZ-CG 4.27Å; F168-L172 PolarHBondContact O-N 3.32Å; L172-S174 VanDerWaalsContact C-N 3.34Å; L172-S174 PolarHBondContact O-N 3.33Å; L172-F175 PolarHBondContact O-N 3.21Å; L172-V176 WeakPolarHBondContact O-CG2 3.39Å; L172-V176 PolarHBondContact O-N 3.46Å; L172-Q209 HydrophobicContact CB-CG 3.94Å; L172-L212 HydrophobicContact CD1-CB 3.89Å; L172-L212 HydrophobicContact CD1-CD1 4.28Å
173N93.4Very high89.4Confident6 Ų620.6 Ų20.63%0.03211%0.112CC..Hα-helixtrans-61.1-43.9175.6178.4-98.4000111.5Y116 K120 G169 A170 S171 F175 V176 H177Y116-N173 HydrophobicContact CE2-CB 4.09Å; Y116-N173 VanDerWaalsContact CE2-OD1 3.22Å; Y116-N173 WeakPolarHBondContact CE2-OD1 3.21Å; Y116-N173 WeakPolarHBondContact OH-CB 3.25Å; Y116-N173 PolarHBondContact OH-OD1 2.85Å; K120-N173 PolarHBondContact NZ-OD1 3.01Å; G169-N173 VanDerWaalsContact O-CB 3.25Å; G169-N173 WeakPolarHBondContact O-CB 3.26Å; G169-N173 PolarHBondContact O-N 3.12Å; A170-N173 PolarHBondContact O-N 3.5Å; S171-N173 PolarHBondContact O-N 3.26Å; N173-F175 VanDerWaalsContact C-N 3.34Å; N173-F175 PolarHBondContact O-N 3.12Å; N173-V176 PolarHBondContact O-N 2.81Å; N173-H177 PolarHBondContact ND2-CD2 3.31Å; N173-H177 PolarHBondContact ND2-NE2 3.05Å; N173-H177 VanDerWaalsContact ND2-NE2 3.14Å; N173-H177 WeakPolarHBondContact O-CB 3.43Å; N173-H177 PolarHBondContact O-CD2 3.4Å; N173-H177 PolarHBondContact O-N 3.23Å; N173-H177 PolarHBondContact OD1-NE2 3.21Å
174S93.3Very high89.9Confident0 Ų024.5 Ų24.50%013%0.128CC..Hα-helixtrans-61.4-43.1177.8-590000111.2A170 S171 L172 V176 H177 V178A170-S174 VanDerWaalsContact O-CB 3.28Å; A170-S174 WeakPolarHBondContact O-CB 3.33Å; A170-S174 PolarHBondContact O-N 3Å; A170-S174 PolarHBondContact O-OG 2.83Å; S171-S174 PolarHBondContact O-N 3.36Å; L172-S174 VanDerWaalsContact C-N 3.34Å; L172-S174 PolarHBondContact O-N 3.33Å; S174-V176 PolarHBondContact O-N 3.37Å; S174-H177 PolarHBondContact O-N 2.7Å; S174-V178 WeakPolarHBondContact O-CG2 3.42Å; S174-V178 PolarHBondContact O-N 2.87Å
175F94.8Very high90.3Very high98 Ų9825.1 Ų25.143%0.4313%0.134SC..Hα-helixtrans-58.7-48.6173.9174.1-106.9000112.5S171 L172 N173 H177 V178 V179 L205S171-F175 PolarHBondContact O-N 3.45Å; L172-F175 PolarHBondContact O-N 3.21Å; N173-F175 VanDerWaalsContact C-N 3.34Å; N173-F175 PolarHBondContact O-N 3.12Å; F175-H177 VanDerWaalsContact C-N 3.27Å; F175-H177 PolarHBondContact O-N 3.21Å; F175-V178 WeakPolarHBondContact O-CB 3.25Å; F175-V178 PolarHBondContact O-N 3.04Å; F175-V179 HydrophobicContact CZ-CG2 4.49Å; F175-V179 PolarHBondContact O-N 2.97Å; F175-L205 HydrophobicContact CE1-CD1 4.25Å; F175-L205 HydrophobicContact CE1-CD2 4.08Å
176V94.1Very high90.8Very high3 Ų327.7 Ų27.72%0.01815%0.148CC..Hα-helixtrans-65-34.9177.9175.80000111.4L172 N173 S174 V179 M180 L205 Q206 Q209L172-V176 WeakPolarHBondContact O-CG2 3.39Å; L172-V176 PolarHBondContact O-N 3.46Å; N173-V176 PolarHBondContact O-N 2.81Å; S174-V176 PolarHBondContact O-N 3.37Å; V176-V179 PolarHBondContact O-N 3.44Å; V176-M180 VanDerWaalsContact O-CB 3.32Å; V176-M180 WeakPolarHBondContact O-CB 3.48Å; V176-M180 PolarHBondContact O-N 3.42Å; V176-L205 HydrophobicContact CG2-CD2 3.96Å; V176-L205 HydrophobicContact CG2-CG 3.82Å; V176-Q206 HydrophobicContact CG1-CG 3.51Å; V176-Q209 VanDerWaalsContact CB-OE1 3.24Å; V176-Q209 HydrophobicContact CG2-CB 4.1Å
177H93.9Very high91.1Very high10 Ų1028 Ų285%0.04615%0.151CC..Hα-helixtrans-65-38.8175-82.2-136.7000111.7K120 E123 N173 S174 F175 V179 M180 Y181K120-H177 PolarHBondContact NZ-CE1 3.32Å; K120-H177 VanDerWaalsContact NZ-CE1 3.32Å; E123-H177 VanDerWaalsContact CD-CE1 3.49Å; E123-H177 IonicContact OE1-CE1 3.37Å; E123-H177 PolarHBondContact OE1-CE1 3.07Å; E123-H177 IonicContact OE1-ND1 2.95Å; E123-H177 PolarHBondContact OE1-ND1 3.45Å; E123-H177 IonicContact OE2-CE1 2.9Å; E123-H177 PolarHBondContact OE2-CE1 2.94Å; N173-H177 PolarHBondContact ND2-CD2 3.31Å; N173-H177 PolarHBondContact ND2-NE2 3.05Å; N173-H177 VanDerWaalsContact ND2-NE2 3.14Å; N173-H177 WeakPolarHBondContact O-CB 3.43Å; N173-H177 PolarHBondContact O-CD2 3.4Å; N173-H177 PolarHBondContact O-N 3.23Å; N173-H177 PolarHBondContact OD1-NE2 3.21Å; S174-H177 PolarHBondContact O-N 2.7Å; F175-H177 VanDerWaalsContact C-N 3.27Å; F175-H177 PolarHBondContact O-N 3.21Å; H177-V179 VanDerWaalsContact C-N 3.3Å; H177-V179 PolarHBondContact O-N 2.78Å; H177-M180 VanDerWaalsContact CD2-CE 3.42Å; H177-M180 WeakPolarHBondContact CD2-CE 3.32Å; H177-M180 WeakPolarHBondContact NE2-CE 3.5Å; H177-M180 PolarHBondContact O-N 3.26Å; H177-Y181 HydrophobicContact CB-CD2 4.02Å; H177-Y181 HydrophobicContact CB-CE2 4.16Å; H177-Y181 AromaticContact CG-CE2 3.98Å; H177-Y181 AromaticContact ND1-CE2 3.49Å; H177-Y181 WeakPolarHBondContact ND1-CE2 3.32Å; H177-Y181 WeakPolarHBondContact O-CB 3.4Å; H177-Y181 VanDerWaalsContact O-CD2 3.26Å; H177-Y181 WeakPolarHBondContact O-CD2 3.38Å; H177-Y181 PolarHBondContact O-N 3.46Å
178V95.1Very high91Very high26 Ų2627.9 Ų27.916%0.15815%0.152CC..Hα-helixtrans-54.2-49.4171.3172.80000110.6T73 F77 S174 F175 S182T73-V178 HydrophobicContact CG2-CG1 4.16Å; F77-V178 HydrophobicContact CB-CG2 3.87Å; F77-V178 VanDerWaalsContact N-CG2 3.29Å; S174-V178 WeakPolarHBondContact O-CG2 3.42Å; S174-V178 PolarHBondContact O-N 2.87Å; F175-V178 WeakPolarHBondContact O-CB 3.25Å; F175-V178 PolarHBondContact O-N 3.04Å; V178-S182 WeakPolarHBondContact O-CB 3.31Å; V178-S182 PolarHBondContact O-N 3.25Å; V178-S182 PolarHBondContact O-OG 3.12Å
179V94.4Very high91Very high51 Ų5129.2 Ų29.231%0.30916%0.16SC..Hα-helixtrans-67-44.6-178.6-179.20000111.5F175 V176 H177 Y183 I202 L205F175-V179 HydrophobicContact CZ-CG2 4.49Å; F175-V179 PolarHBondContact O-N 2.97Å; V176-V179 PolarHBondContact O-N 3.44Å; H177-V179 VanDerWaalsContact C-N 3.3Å; H177-V179 PolarHBondContact O-N 2.78Å; V179-Y183 PolarHBondContact O-N 3.2Å; V179-I202 HydrophobicContact CG1-CG1 4.19Å; V179-L205 HydrophobicContact CB-CD2 4.34Å; V179-L205 HydrophobicContact CG1-CD2 4.41Å; V179-L205 HydrophobicContact CG2-CD2 4.17Å
180M93.2Very high90.6Very high16 Ų1631.6 Ų31.68%0.07917%0.173CC..Hα-helixtrans-66.9-47.7-177.8175.4177.348.900112.5V176 H177 Y183 Y184 I202 Q206V176-M180 VanDerWaalsContact O-CB 3.32Å; V176-M180 WeakPolarHBondContact O-CB 3.48Å; V176-M180 PolarHBondContact O-N 3.42Å; H177-M180 VanDerWaalsContact CD2-CE 3.42Å; H177-M180 WeakPolarHBondContact CD2-CE 3.32Å; H177-M180 WeakPolarHBondContact NE2-CE 3.5Å; H177-M180 PolarHBondContact O-N 3.26Å; M180-Y183 WeakPolarHBondContact O-CB 3.38Å; M180-Y183 PolarHBondContact O-N 3.17Å; M180-Y184 HydrophobicContact CG-CD2 3.95Å; M180-Y184 HydrophobicContact CG-CE2 3.4Å; M180-Y184 VanDerWaalsContact CG-CE2 3.4Å; M180-Y184 WeakPolarHBondContact O-CD2 3.46Å; M180-Y184 PolarHBondContact O-N 3.36Å; M180-Y184 HydrophobicContact SD-CE2 3.9Å; M180-I202 HydrophobicContact CB-CG2 4.23Å; M180-Q206 PolarHBondContact SD-NE2 3.19Å; M180-Q206 VanDerWaalsContact SD-NE2 3.38Å
181Y92.9Very high90.3Very high3 Ų335 Ų351%0.01220%0.201CC..Hα-helixtrans-72.4-31.8179.5-75.5-72.7000112.2Y68 N69 V72 T73 E123 D126 H177 Y183 Y184 G185Y68-Y181 HydrophobicContact CE1-CE1 4.41Å; N69-Y181 WeakPolarHBondContact OD1-CD1 3.34Å; V72-Y181 HydrophobicContact CB-CD1 4.14Å; V72-Y181 HydrophobicContact CB-CD2 4.3Å; V72-Y181 HydrophobicContact CB-CE1 4.41Å; V72-Y181 HydrophobicContact CB-CG 4.1Å; V72-Y181 HydrophobicContact CG1-CD1 3.95Å; V72-Y181 HydrophobicContact CG1-CD2 3.42Å; V72-Y181 VanDerWaalsContact CG1-CD2 3.42Å; V72-Y181 HydrophobicContact CG1-CE1 3.97Å; V72-Y181 HydrophobicContact CG1-CE2 3.43Å; V72-Y181 VanDerWaalsContact CG1-CE2 3.43Å; V72-Y181 HydrophobicContact CG1-CG 3.71Å; T73-Y181 WeakPolarHBondContact OG1-CB 3.47Å; E123-Y181 WeakPolarHBondContact CG-OH 3.37Å; D126-Y181 WeakPolarHBondContact OD2-CE1 3.35Å; D126-Y181 PolarHBondContact OD2-OH 3.06Å; H177-Y181 HydrophobicContact CB-CD2 4.02Å; H177-Y181 HydrophobicContact CB-CE2 4.16Å; H177-Y181 AromaticContact CG-CE2 3.98Å; H177-Y181 AromaticContact ND1-CE2 3.49Å; H177-Y181 WeakPolarHBondContact ND1-CE2 3.32Å; H177-Y181 WeakPolarHBondContact O-CB 3.4Å; H177-Y181 VanDerWaalsContact O-CD2 3.26Å; H177-Y181 WeakPolarHBondContact O-CD2 3.38Å; H177-Y181 PolarHBondContact O-N 3.46Å; Y181-Y183 VanDerWaalsContact C-N 3.3Å; Y181-Y183 PolarHBondContact O-N 2.96Å; Y181-Y184 HydrophobicContact CD1-CD2 4.16Å; Y181-Y184 HydrophobicContact CE1-CD2 4.41Å; Y181-Y184 PolarHBondContact O-N 3.33Å; Y181-G185 PolarHBondContact O-N 3.42Å
182S92.3Very high89.9Confident46 Ų4637.3 Ų37.332%0.32221%0.212SC..Hα-helixtrans-58.2-45.3167.9-64.10000110.8T73 V178 Y184 G185 L186T73-S182 VanDerWaalsContact CG2-OG 3.29Å; T73-S182 WeakPolarHBondContact CG2-OG 3.45Å; T73-S182 PolarHBondContact OG1-N 3.34Å; V178-S182 WeakPolarHBondContact O-CB 3.31Å; V178-S182 PolarHBondContact O-N 3.25Å; V178-S182 PolarHBondContact O-OG 3.12Å; S182-Y184 PolarHBondContact O-N 3.45Å; S182-G185 PolarHBondContact O-N 2.97Å; S182-L186 VanDerWaalsContact O-CG 3.25Å; S182-L186 WeakPolarHBondContact O-CG 3.36Å; S182-L186 PolarHBondContact O-N 2.8Å
183Y91.4Very high89.4Confident30 Ų3040.7 Ų40.712%0.11822%0.222CC..Hα-helixtrans-60-44.3175.2178.1-86.2000112.2V179 M180 Y181 L186 A187 L196 W198 K199 I202V179-Y183 PolarHBondContact O-N 3.2Å; M180-Y183 WeakPolarHBondContact O-CB 3.38Å; M180-Y183 PolarHBondContact O-N 3.17Å; Y181-Y183 VanDerWaalsContact C-N 3.3Å; Y181-Y183 PolarHBondContact O-N 2.96Å; Y183-L186 PolarHBondContact O-N 3.41Å; Y183-A187 HydrophobicContact CE1-CB 4.37Å; Y183-A187 VanDerWaalsContact O-CB 3.24Å; Y183-A187 WeakPolarHBondContact O-CB 3.48Å; Y183-A187 PolarHBondContact O-N 2.92Å; Y183-L196 HydrophobicContact CD2-CB 4.49Å; Y183-L196 HydrophobicContact CD2-CD2 4.01Å; Y183-L196 HydrophobicContact CE2-CB 3.65Å; Y183-L196 HydrophobicContact CE2-CD1 4.2Å; Y183-L196 HydrophobicContact CE2-CD2 4.02Å; Y183-L196 HydrophobicContact CE2-CG 4.17Å; Y183-W198 AromaticContact CD2-CD1 3.66Å; Y183-W198 AromaticContact CD2-NE1 3.51Å; Y183-W198 AromaticContact CE2-CD1 3.9Å; Y183-K199 HydrophobicContact CE1-CG 4.26Å; Y183-K199 HydrophobicContact CE2-CB 3.93Å; Y183-K199 HydrophobicContact CE2-CG 4.39Å; Y183-K199 WeakPolarHBondContact OH-CB 3.32Å; Y183-I202 VanDerWaalsContact CB-CD1 3.42Å; Y183-I202 HydrophobicContact CD1-CD1 4.14Å; Y183-I202 HydrophobicContact CD2-CD1 3.44Å; Y183-I202 VanDerWaalsContact CD2-CD1 3.44Å; Y183-I202 HydrophobicContact CE2-CD1 4.22Å; Y183-I202 HydrophobicContact CG-CD1 3.39Å
184Y88Confident88.9Confident82 Ų8245.1 Ų45.132%0.32225%0.251SS..Hα-helixtrans-67.4-38.2178.8-67.4-37.1000113.2N69 M180 Y181 S182 A187 A188N69-Y184 WeakPolarHBondContact OD1-CB 3.38Å; M180-Y184 HydrophobicContact CG-CD2 3.95Å; M180-Y184 HydrophobicContact CG-CE2 3.4Å; M180-Y184 VanDerWaalsContact CG-CE2 3.4Å; M180-Y184 WeakPolarHBondContact O-CD2 3.46Å; M180-Y184 PolarHBondContact O-N 3.36Å; M180-Y184 HydrophobicContact SD-CE2 3.9Å; Y181-Y184 HydrophobicContact CD1-CD2 4.16Å; Y181-Y184 HydrophobicContact CE1-CD2 4.41Å; Y181-Y184 PolarHBondContact O-N 3.33Å; S182-Y184 PolarHBondContact O-N 3.45Å; Y184-A187 PolarHBondContact O-N 3.2Å; Y184-A188 PolarHBondContact O-N 3.01Å
185G87.9Confident88.5Confident13 Ų1353.1 Ų53.113%0.13428%0.283CS..Hα-helixtrans-59.9-48.2172.500000111.8Y181 S182 A187 A188Y181-G185 PolarHBondContact O-N 3.42Å; S182-G185 PolarHBondContact O-N 2.97Å; G185-A187 PolarHBondContact O-N 3.34Å; G185-A188 WeakPolarHBondContact O-CB 3.37Å; G185-A188 PolarHBondContact O-N 3.02Å
186L88.1Confident88.1Confident65 Ų6549.4 Ų49.434%0.3427%0.267SS..Hα-helixtrans-64.8-39176.1-64170.4000111.7S182 Y183 A188 I189 L192 L196S182-L186 VanDerWaalsContact O-CG 3.25Å; S182-L186 WeakPolarHBondContact O-CG 3.36Å; S182-L186 PolarHBondContact O-N 2.8Å; Y183-L186 PolarHBondContact O-N 3.41Å; L186-A188 PolarHBondContact O-N 3.46Å; L186-I189 PolarHBondContact O-N 2.94Å; L186-I189 VanDerWaalsContact O-N 3.12Å; L186-L192 HydrophobicContact CB-CD1 4.48Å; L186-L192 HydrophobicContact CD2-CD1 3.66Å; L186-L196 HydrophobicContact CB-CD1 4.37Å; L186-L196 HydrophobicContact CB-CD2 4.03Å; L186-L196 HydrophobicContact CD1-CD2 4.33Å
187A85.8Confident87.7Confident24 Ų2458 Ų5820%0.19830%0.299CS..Hα-helixtrans-67.8-23.4178.600000113.4Y183 Y184 G185 I189 R193 L196Y183-A187 HydrophobicContact CE1-CB 4.37Å; Y183-A187 VanDerWaalsContact O-CB 3.24Å; Y183-A187 WeakPolarHBondContact O-CB 3.48Å; Y183-A187 PolarHBondContact O-N 2.92Å; Y184-A187 PolarHBondContact O-N 3.2Å; G185-A187 PolarHBondContact O-N 3.34Å; A187-I189 PolarHBondContact O-N 3.39Å; A187-R193 WeakPolarHBondContact O-CG 3.46Å; A187-R193 PolarHBondContact O-NE 2.9Å; A187-L196 VanDerWaalsContact CA-CD1 3.43Å; A187-L196 HydrophobicContact CB-CD1 3.58Å
188A84.8Confident87.3Confident6 Ų663 Ų635%0.0532%0.318CS..Hα-helixtrans-67.5-25.4173.900000112V66 Y184 G185 L186 P190V66-A188 HydrophobicContact CG2-CB 3.68Å; Y184-A188 PolarHBondContact O-N 3.01Å; G185-A188 WeakPolarHBondContact O-CB 3.37Å; G185-A188 PolarHBondContact O-N 3.02Å; L186-A188 PolarHBondContact O-N 3.46Å; A188-P190 WeakPolarHBondContact O-CD 3.39Å
189I85.7Confident86.8Confident67 Ų6766.7 Ų66.734%0.34433%0.332SS..SBendtrans-86.3112.8177.1-54.8179.1000109.6V66 L186 A187 A191 L192 R193V66-I189 HydrophobicContact CG2-CG1 4.25Å; L186-I189 PolarHBondContact O-N 2.94Å; L186-I189 VanDerWaalsContact O-N 3.12Å; A187-I189 PolarHBondContact O-N 3.39Å; I189-A191 VanDerWaalsContact C-N 3.28Å; I189-A191 HydrophobicContact CG2-CB 4.39Å; I189-A191 PolarHBondContact O-N 2.9Å; I189-L192 HydrophobicContact CB-CB 4.38Å; I189-L192 HydrophobicContact CB-CD1 4.09Å; I189-L192 HydrophobicContact CB-CG 4.22Å; I189-L192 HydrophobicContact CD1-CD1 3.92Å; I189-L192 HydrophobicContact CG2-CD1 4.19Å; I189-L192 HydrophobicContact CG2-CG 4.03Å; I189-L192 PolarHBondContact O-N 2.87Å; I189-L192 VanDerWaalsContact O-N 3.07Å; I189-R193 PolarHBondContact O-N 2.91Å
190P80.3Confident86.2Confident64 Ų6469.3 Ų69.342%0.41634%0.336SS..THydrogen-bonded Turntrans-58-36.6-174.4-2534000114.3R62 A188 L192 R193R62-P190 VanDerWaalsContact NH1-CG 3.33Å; A188-P190 WeakPolarHBondContact O-CD 3.39Å; P190-L192 PolarHBondContact O-N 2.95Å; P190-R193 PolarHBondContact O-N 2.84Å
191A82.9Confident85.9Confident72 Ų7275 Ų7560%0.59536%0.358SS*.THydrogen-bonded Turntrans-64.3-27.4179.900000113.1I189 P194 Y195I189-A191 VanDerWaalsContact C-N 3.28Å; I189-A191 HydrophobicContact CG2-CB 4.39Å; I189-A191 PolarHBondContact O-N 2.9Å; A191-P194 WeakPolarHBondContact O-CD 3.35Å; A191-Y195 WeakPolarHBondContact O-CE2 3.43Å
192L84.2Confident85.7Confident63 Ų6375.5 Ų75.533%0.3336%0.36SS..THydrogen-bonded Turntrans-92.1-18.5-176.6-62.5-179.5000113.4L186 I189 P190 P194 Y195L186-L192 HydrophobicContact CB-CD1 4.48Å; L186-L192 HydrophobicContact CD2-CD1 3.66Å; I189-L192 HydrophobicContact CB-CB 4.38Å; I189-L192 HydrophobicContact CB-CD1 4.09Å; I189-L192 HydrophobicContact CB-CG 4.22Å; I189-L192 HydrophobicContact CD1-CD1 3.92Å; I189-L192 HydrophobicContact CG2-CD1 4.19Å; I189-L192 HydrophobicContact CG2-CG 4.03Å; I189-L192 PolarHBondContact O-N 2.87Å; I189-L192 VanDerWaalsContact O-N 3.07Å; P190-L192 PolarHBondContact O-N 2.95Å; L192-P194 VanDerWaalsContact C-CD 3.43Å; L192-Y195 PolarHBondContact O-N 3.22Å
193R82.1Confident85.4Confident109 Ų10973.9 Ų73.941%0.41135%0.349SS..G310 helixtrans-49-44.6179.1-68.1-176.7-177.2173.15.1115.6A187 I189 P190 Y195 L196A187-R193 WeakPolarHBondContact O-CG 3.46Å; A187-R193 PolarHBondContact O-NE 2.9Å; I189-R193 PolarHBondContact O-N 2.91Å; P190-R193 PolarHBondContact O-N 2.84Å; R193-Y195 PolarHBondContact O-N 3.33Å; R193-L196 PolarHBondContact O-N 3.08Å
194P81.9Confident85.2Confident100 Ų10075.6 Ų75.665%0.64936%0.358SS*.G310 helixtrans-65.3-23.5-179.323.9-33.3000113.3A191 L192 L196A191-P194 WeakPolarHBondContact O-CD 3.35Å; L192-P194 VanDerWaalsContact C-CD 3.43Å; P194-L196 VanDerWaalsContact C-N 3.34Å
195Y84.2Confident85.3Confident168 Ų16874 Ų7466%0.65935%0.354SS*.G310 helixtrans-85.9-3.8-178.8-55.9-79.7000113.5A191 L192 R193 W197A191-Y195 WeakPolarHBondContact O-CE2 3.43Å; L192-Y195 PolarHBondContact O-N 3.22Å; R193-Y195 PolarHBondContact O-N 3.33Å; Y195-W197 VanDerWaalsContact C-N 3.29Å; Y195-W197 PolarHBondContact O-N 3.26Å; Y195-W197 VanDerWaalsContact O-N 3.07Å
196L86.6Confident85.4Confident19 Ų1974.6 Ų74.610%0.09935%0.354CS..  trans-88.351-174.1-68.4177.8000113.7Y183 L186 A187 R193 P194 W198Y183-L196 HydrophobicContact CD2-CB 4.49Å; Y183-L196 HydrophobicContact CD2-CD2 4.01Å; Y183-L196 HydrophobicContact CE2-CB 3.65Å; Y183-L196 HydrophobicContact CE2-CD1 4.2Å; Y183-L196 HydrophobicContact CE2-CD2 4.02Å; Y183-L196 HydrophobicContact CE2-CG 4.17Å; L186-L196 HydrophobicContact CB-CD1 4.37Å; L186-L196 HydrophobicContact CB-CD2 4.03Å; L186-L196 HydrophobicContact CD1-CD2 4.33Å; A187-L196 VanDerWaalsContact CA-CD1 3.43Å; A187-L196 HydrophobicContact CB-CD1 3.58Å; R193-L196 PolarHBondContact O-N 3.08Å; P194-L196 VanDerWaalsContact C-N 3.34Å; L196-W198 VanDerWaalsContact C-N 3.28Å; L196-W198 PolarHBondContact O-N 3.27Å
197W86Confident85.3Confident183 Ų18374.1 Ų74.169%0.69335%0.351SS*.THydrogen-bonded Turntrans-70.2-22-178.759.9-87.5000113.5Y195 K199 Y201Y195-W197 VanDerWaalsContact C-N 3.29Å; Y195-W197 PolarHBondContact O-N 3.26Å; Y195-W197 VanDerWaalsContact O-N 3.07Å; W197-K199 PolarHBondContact O-N 2.89Å; W197-Y201 HydrophobicContact CE3-CE2 4.09Å; W197-Y201 HydrophobicContact CH2-CE2 4.49Å; W197-Y201 HydrophobicContact CZ3-CD2 4.48Å; W197-Y201 AromaticContact CZ3-CE2 3.6Å; W197-Y201 HydrophobicContact CZ3-CE2 3.6Å
198W86.1Confident85.5Confident116 Ų11677.3 Ų77.344%0.43936%0.364SS..THydrogen-bonded Turntrans-80.29.7-174.157.841.8000115.7Y183 L196 R200 Y201Y183-W198 AromaticContact CD2-CD1 3.66Å; Y183-W198 AromaticContact CD2-NE1 3.51Å; Y183-W198 AromaticContact CE2-CD1 3.9Å; L196-W198 VanDerWaalsContact C-N 3.28Å; L196-W198 PolarHBondContact O-N 3.27Å; W198-R200 PolarHBondContact O-N 3.28Å; W198-Y201 HydrophobicContact CB-CD2 3.82Å; W198-Y201 PolarHBondContact O-N 2.94Å
199K83.3Confident85.8Confident104 Ų10477.7 Ų77.745%0.45237%0.365SS..Hα-helixtrans-49.6-37.5179.2-171.8-178.5176.3179.70112.8Y183 W197 Y201 I202Y183-K199 HydrophobicContact CE1-CG 4.26Å; Y183-K199 HydrophobicContact CE2-CB 3.93Å; Y183-K199 HydrophobicContact CE2-CG 4.39Å; Y183-K199 WeakPolarHBondContact OH-CB 3.32Å; W197-K199 PolarHBondContact O-N 2.89Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; K199-Y201 PolarHBondContact O-N 3.49Å; K199-I202 PolarHBondContact O-N 2.88Å
200R81.9Confident85.8Confident105 Ų10575 Ų7540%0.39635%0.351SS..Hα-helixtrans-64.1-37179.9-176.6179.4177.1-172.1-2.5112.6W198 I202 T203 Q204 Y250 Y254W198-R200 PolarHBondContact O-N 3.28Å; R200-I202 VanDerWaalsContact C-N 3.28Å; R200-I202 PolarHBondContact O-N 3.41Å; R200-T203 PolarHBondContact O-N 3.2Å; R200-Q204 PolarHBondContact O-N 2.85Å; R200-Q204 VanDerWaalsContact O-N 3.15Å; R200-Y250 PolarHBondContact NH2-OH 3.35Å; R200-Y254 HydrophobicContact CB-CE1 4.17Å; R200-Y254 HydrophobicContact CG-CD1 4.36Å; R200-Y254 HydrophobicContact CG-CE1 4.25Å
201Y88.2Confident86.2Confident135 Ų13574.8 Ų74.853%0.52935%0.35SS..Hα-helixtrans-69-29.5-179.9-62.8-79000111.8W197 W198 K199 Q204 L205W197-Y201 HydrophobicContact CE3-CE2 4.09Å; W197-Y201 HydrophobicContact CH2-CE2 4.49Å; W197-Y201 HydrophobicContact CZ3-CD2 4.48Å; W197-Y201 AromaticContact CZ3-CE2 3.6Å; W197-Y201 HydrophobicContact CZ3-CE2 3.6Å; W198-Y201 HydrophobicContact CB-CD2 3.82Å; W198-Y201 PolarHBondContact O-N 2.94Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; K199-Y201 PolarHBondContact O-N 3.49Å; Y201-Q204 PolarHBondContact O-N 3.35Å; Y201-L205 WeakPolarHBondContact O-CB 3.42Å; Y201-L205 PolarHBondContact O-N 3.27Å
202I89Confident86.6Confident14 Ų1475.2 Ų75.27%0.07234%0.342CS..Hα-helixtrans-62.5-45.1174.3-57.1176.2000110.3V179 M180 Y183 K199 R200 Q204 L205 Q206V179-I202 HydrophobicContact CG1-CG1 4.19Å; M180-I202 HydrophobicContact CB-CG2 4.23Å; Y183-I202 VanDerWaalsContact CB-CD1 3.42Å; Y183-I202 HydrophobicContact CD1-CD1 4.14Å; Y183-I202 HydrophobicContact CD2-CD1 3.44Å; Y183-I202 VanDerWaalsContact CD2-CD1 3.44Å; Y183-I202 HydrophobicContact CE2-CD1 4.22Å; Y183-I202 HydrophobicContact CG-CD1 3.39Å; K199-I202 PolarHBondContact O-N 2.88Å; R200-I202 VanDerWaalsContact C-N 3.28Å; R200-I202 PolarHBondContact O-N 3.41Å; I202-Q204 VanDerWaalsContact C-N 3.33Å; I202-Q204 PolarHBondContact O-N 2.85Å; I202-L205 WeakPolarHBondContact O-CB 3.38Å; I202-L205 PolarHBondContact O-N 2.8Å; I202-Q206 WeakPolarHBondContact O-CG 3.3Å; I202-Q206 PolarHBondContact O-N 3.25Å
203T85.9Confident86.7Confident12 Ų1272.4 Ų72.47%0.07433%0.327CS..Hα-helixtrans-67-35177.5-47.90000112.1R200 Q206 L207 Y250 Y254R200-T203 PolarHBondContact O-N 3.2Å; T203-Q206 PolarHBondContact O-N 3.39Å; T203-L207 PolarHBondContact O-N 2.88Å; T203-L207 VanDerWaalsContact O-N 3.12Å; T203-Y250 HydrophobicContact CG2-CD2 4.04Å; T203-Y254 HydrophobicContact CG2-CE2 4.41Å
204Q86.1Confident86.9Confident66 Ų6668.8 Ų68.831%0.30832%0.317SS..Hα-helixtrans-65-41.7172.6-70.5178.4-2900111.4R200 Y201 I202 L207 I208R200-Q204 PolarHBondContact O-N 2.85Å; R200-Q204 VanDerWaalsContact O-N 3.15Å; Y201-Q204 PolarHBondContact O-N 3.35Å; I202-Q204 VanDerWaalsContact C-N 3.33Å; I202-Q204 PolarHBondContact O-N 2.85Å; Q204-L207 PolarHBondContact O-N 3.46Å; Q204-I208 VanDerWaalsContact O-CG1 3.28Å; Q204-I208 WeakPolarHBondContact O-CG1 3.44Å; Q204-I208 PolarHBondContact O-N 2.59Å
205L90.7Very high87.1Confident48 Ų4868 Ų6825%0.25131%0.311SS..Hα-helixtrans-62.6-42.4176.9-173.468.4000111.8F175 V176 V179 Y201 I202 L207 I208 Q209F175-L205 HydrophobicContact CE1-CD1 4.25Å; F175-L205 HydrophobicContact CE1-CD2 4.08Å; V176-L205 HydrophobicContact CG2-CD2 3.96Å; V176-L205 HydrophobicContact CG2-CG 3.82Å; V179-L205 HydrophobicContact CB-CD2 4.34Å; V179-L205 HydrophobicContact CG1-CD2 4.41Å; V179-L205 HydrophobicContact CG2-CD2 4.17Å; Y201-L205 WeakPolarHBondContact O-CB 3.42Å; Y201-L205 PolarHBondContact O-N 3.27Å; I202-L205 WeakPolarHBondContact O-CB 3.38Å; I202-L205 PolarHBondContact O-N 2.8Å; L205-L207 VanDerWaalsContact C-N 3.35Å; L205-L207 PolarHBondContact O-N 3.04Å; L205-I208 PolarHBondContact O-N 3.39Å; L205-Q209 PolarHBondContact O-N 2.88Å
206Q88.8Confident87.2Confident27 Ų2760.7 Ų60.713%0.12628%0.283CS..Hα-helixtrans-59.1-43.4173.2-74.9172.5-30.700112.1V176 M180 I202 T203 Q209 F210 F246V176-Q206 HydrophobicContact CG1-CG 3.51Å; M180-Q206 PolarHBondContact SD-NE2 3.19Å; M180-Q206 VanDerWaalsContact SD-NE2 3.38Å; I202-Q206 WeakPolarHBondContact O-CG 3.3Å; I202-Q206 PolarHBondContact O-N 3.25Å; T203-Q206 PolarHBondContact O-N 3.39Å; Q206-Q209 WeakPolarHBondContact O-CB 3.28Å; Q206-Q209 PolarHBondContact O-N 3.48Å; Q206-F210 HydrophobicContact CB-CE2 4.5Å; Q206-F210 WeakPolarHBondContact O-CD2 3.5Å; Q206-F210 WeakPolarHBondContact O-CE2 3.28Å; Q206-F210 WeakPolarHBondContact O-CG 3.42Å; Q206-F210 PolarHBondContact O-N 3.29Å; Q206-F246 HydrophobicContact CB-CE1 4.43Å
207L86.2Confident87.1Confident54 Ų5459.9 Ų59.928%0.28328%0.278SS..Hα-helixtrans-66.7-42177.9-171.464.6000111.8T203 Q204 L205 Q209 F210 C211T203-L207 PolarHBondContact O-N 2.88Å; T203-L207 VanDerWaalsContact O-N 3.12Å; Q204-L207 PolarHBondContact O-N 3.46Å; L205-L207 VanDerWaalsContact C-N 3.35Å; L205-L207 PolarHBondContact O-N 3.04Å; L207-Q209 VanDerWaalsContact C-N 3.32Å; L207-Q209 PolarHBondContact O-N 3.18Å; L207-F210 PolarHBondContact O-N 2.86Å; L207-C211 PolarHBondContact O-N 3.2Å; L207-C211 PolarHBondContact O-SG 2.81Å; L207-C211 VanDerWaalsContact O-SG 3.37Å
208I89.9Confident87Confident92 Ų9253.1 Ų53.147%0.47226%0.262SS..Hα-helixtrans-60-43.8175.5-70165000110.4Q204 L205 F210 C211 L212Q204-I208 VanDerWaalsContact O-CG1 3.28Å; Q204-I208 WeakPolarHBondContact O-CG1 3.44Å; Q204-I208 PolarHBondContact O-N 2.59Å; L205-I208 PolarHBondContact O-N 3.39Å; I208-F210 VanDerWaalsContact C-N 3.32Å; I208-F210 PolarHBondContact O-N 3.33Å; I208-C211 PolarHBondContact O-N 3.48Å; I208-L212 HydrophobicContact CG2-CD1 3.79Å; I208-L212 HydrophobicContact CG2-CG 4.11Å; I208-L212 VanDerWaalsContact O-CG 3.32Å; I208-L212 WeakPolarHBondContact O-CG 3.29Å; I208-L212 PolarHBondContact O-N 2.93Å
209Q91.1Very high86.9Confident14 Ų1450.9 Ų50.97%0.06526%0.258CS..Hα-helixtrans-54.1-47.8175166.3-165.5-24.600111.6L172 V176 L205 Q206 L207 L212 T213L172-Q209 HydrophobicContact CB-CG 3.94Å; V176-Q209 VanDerWaalsContact CB-OE1 3.24Å; V176-Q209 HydrophobicContact CG2-CB 4.1Å; L205-Q209 PolarHBondContact O-N 2.88Å; Q206-Q209 WeakPolarHBondContact O-CB 3.28Å; Q206-Q209 PolarHBondContact O-N 3.48Å; L207-Q209 VanDerWaalsContact C-N 3.32Å; L207-Q209 PolarHBondContact O-N 3.18Å; Q209-L212 PolarHBondContact O-N 2.66Å; Q209-T213 WeakPolarHBondContact O-CB 3.42Å; Q209-T213 PolarHBondContact O-N 3.33Å; Q209-T213 PolarHBondContact O-OG1 3.39Å
210F87.3Confident86.7Confident10 Ų1046 Ų464%0.04424%0.237CC..Hα-helixtrans-63.9-43.6180-60.3-45.5000111.5Q206 L207 I208 L212 T213 V214 M239 F242 I243 F246Q206-F210 HydrophobicContact CB-CE2 4.5Å; Q206-F210 WeakPolarHBondContact O-CD2 3.5Å; Q206-F210 WeakPolarHBondContact O-CE2 3.28Å; Q206-F210 WeakPolarHBondContact O-CG 3.42Å; Q206-F210 PolarHBondContact O-N 3.29Å; L207-F210 PolarHBondContact O-N 2.86Å; I208-F210 VanDerWaalsContact C-N 3.32Å; I208-F210 PolarHBondContact O-N 3.33Å; F210-L212 PolarHBondContact O-N 2.88Å; F210-T213 PolarHBondContact O-N 3.46Å; F210-V214 WeakPolarHBondContact O-CG2 3.41Å; F210-V214 PolarHBondContact O-N 2.92Å; F210-M239 HydrophobicContact CD1-SD 3.99Å; F210-F242 HydrophobicContact CE1-CD1 4.07Å; F210-F242 HydrophobicContact CE2-CD1 4.35Å; F210-F242 AromaticContact CZ-CD1 3.78Å; F210-F242 HydrophobicContact CZ-CD1 3.78Å; F210-I243 HydrophobicContact CB-CD1 4.5Å; F210-I243 HydrophobicContact CB-CG1 3.94Å; F210-F246 HydrophobicContact CD2-CD2 4.42Å; F210-F246 HydrophobicContact CD2-CG 4.48Å; F210-F246 HydrophobicContact CE2-CB 4.43Å; F210-F246 HydrophobicContact CE2-CD1 4.1Å; F210-F246 AromaticContact CE2-CD2 3.51Å; F210-F246 HydrophobicContact CE2-CD2 3.51Å; F210-F246 HydrophobicContact CE2-CE1 4.22Å; F210-F246 AromaticContact CE2-CE2 3.65Å; F210-F246 HydrophobicContact CE2-CE2 3.65Å; F210-F246 AromaticContact CE2-CG 3.75Å; F210-F246 HydrophobicContact CE2-CG 3.75Å; F210-F246 HydrophobicContact CE2-CZ 4.01Å; F210-F246 HydrophobicContact CZ-CD2 4.04Å; F210-F246 AromaticContact CZ-CE2 3.74Å; F210-F246 HydrophobicContact CZ-CE2 3.74Å; F210-F246 HydrophobicContact CZ-CZ 4.09Å
211C88.1Confident86.7Confident59 Ų5942.7 Ų42.740%0.39923%0.228SC..Hα-helixtrans-59.9-46.7175.8-66.10000112L207 I208 T213 V214 T215L207-C211 PolarHBondContact O-N 3.2Å; L207-C211 PolarHBondContact O-SG 2.81Å; L207-C211 VanDerWaalsContact O-SG 3.37Å; I208-C211 PolarHBondContact O-N 3.48Å; C211-T213 VanDerWaalsContact C-N 3.35Å; C211-T213 PolarHBondContact O-N 2.73Å; C211-V214 PolarHBondContact O-N 3.08Å; C211-T215 PolarHBondContact O-N 3.39Å; C211-T215 PolarHBondContact O-OG1 3.48Å
212L90.2Very high86.4Confident82 Ų8241.1 Ų41.143%0.42923%0.233SC..Hα-helixtrans-62.2-42.4178.4-69.6175.7000111.9F168 L172 I208 Q209 F210 T215 Q216F168-L212 HydrophobicContact CE1-CB 4.5Å; L172-L212 HydrophobicContact CD1-CB 3.89Å; L172-L212 HydrophobicContact CD1-CD1 4.28Å; I208-L212 HydrophobicContact CG2-CD1 3.79Å; I208-L212 HydrophobicContact CG2-CG 4.11Å; I208-L212 VanDerWaalsContact O-CG 3.32Å; I208-L212 WeakPolarHBondContact O-CG 3.29Å; I208-L212 PolarHBondContact O-N 2.93Å; Q209-L212 PolarHBondContact O-N 2.66Å; F210-L212 PolarHBondContact O-N 2.88Å; L212-T215 PolarHBondContact O-N 2.89Å; L212-Q216 WeakPolarHBondContact O-CB 3.42Å; L212-Q216 PolarHBondContact O-N 2.84Å
213T87.1Confident85.8Confident3 Ų349.4 Ų49.42%0.01826%0.263CS..Hα-helixtrans-64.6-41.3178.5-53.70000111.3Q209 F210 C211 T217 M239Q209-T213 WeakPolarHBondContact O-CB 3.42Å; Q209-T213 PolarHBondContact O-N 3.33Å; Q209-T213 PolarHBondContact O-OG1 3.39Å; F210-T213 PolarHBondContact O-N 3.46Å; C211-T213 VanDerWaalsContact C-N 3.35Å; C211-T213 PolarHBondContact O-N 2.73Å; T213-T217 WeakPolarHBondContact O-CB 3.21Å; T213-T217 PolarHBondContact O-N 3.33Å; T213-T217 PolarHBondContact O-OG1 3.49Å; T213-M239 HydrophobicContact CG2-CG 4.37Å; T213-M239 HydrophobicContact CG2-SD 4.18Å
214V86.8Confident85.1Confident34 Ų3453.1 Ų53.121%0.20629%0.287CS..Hα-helixtrans-65.6-47.3175.7171.50000111.2F210 C211 Q216 T217 A218 M239 I243F210-V214 WeakPolarHBondContact O-CG2 3.41Å; F210-V214 PolarHBondContact O-N 2.92Å; C211-V214 PolarHBondContact O-N 3.08Å; V214-Q216 VanDerWaalsContact C-N 3.34Å; V214-Q216 PolarHBondContact O-N 3.18Å; V214-T217 PolarHBondContact O-N 3.24Å; V214-A218 WeakPolarHBondContact O-CB 3.39Å; V214-A218 PolarHBondContact O-N 2.72Å; V214-M239 HydrophobicContact CG2-CB 3.36Å; V214-M239 HydrophobicContact CG2-CG 4.05Å; V214-I243 HydrophobicContact CG2-CD1 3.92Å
215T86.8Confident84.2Confident83 Ų8351.8 Ų51.851%0.50929%0.285SS..Hα-helixtrans-58.9-46.8179.4-60.70000111.1C211 L212 T217 A218 L219C211-T215 PolarHBondContact O-N 3.39Å; C211-T215 PolarHBondContact O-OG1 3.48Å; L212-T215 PolarHBondContact O-N 2.89Å; T215-T217 VanDerWaalsContact C-N 3.34Å; T215-T217 PolarHBondContact O-N 3.47Å; T215-A218 PolarHBondContact O-N 2.85Å; T215-L219 HydrophobicContact CG2-CD1 4.4Å; T215-L219 WeakPolarHBondContact O-CG 3.18Å; T215-L219 PolarHBondContact O-N 3.29Å
216Q85.1Confident83Confident15 Ų1552.4 Ų52.47%0.0730%0.303CS..Hα-helixtrans-63.1-41178.2-169.2-126.1800111.6H165 F168 L212 V214 L219 A220H165-Q216 PolarHBondContact CE1-NE2 2.91Å; H165-Q216 PolarHBondContact CE1-O 2.86Å; H165-Q216 PolarHBondContact CE1-OE1 3.13Å; H165-Q216 PolarHBondContact NE2-OE1 3.33Å; H165-Q216 VanDerWaalsContact NE2-OE1 3.16Å; F168-Q216 VanDerWaalsContact CB-NE2 3.3Å; F168-Q216 VanDerWaalsContact CB-OE1 3.3Å; F168-Q216 HydrophobicContact CD1-CB 4Å; F168-Q216 HydrophobicContact CD1-CG 3.95Å; F168-Q216 HydrophobicContact CE1-CB 3.78Å; F168-Q216 HydrophobicContact CE1-CG 4.03Å; F168-Q216 HydrophobicContact CG-CG 4.25Å; F168-Q216 VanDerWaalsContact CG-OE1 3.27Å; F168-Q216 HydrophobicContact CZ-CB 4.42Å; F168-Q216 HydrophobicContact CZ-CG 4.45Å; L212-Q216 WeakPolarHBondContact O-CB 3.42Å; L212-Q216 PolarHBondContact O-N 2.84Å; V214-Q216 VanDerWaalsContact C-N 3.34Å; V214-Q216 PolarHBondContact O-N 3.18Å; Q216-L219 PolarHBondContact O-N 3.46Å; Q216-A220 PolarHBondContact O-N 2.93Å; Q216-A220 VanDerWaalsContact O-N 3.12Å
217T83.9Confident82.2Confident1 Ų151.6 Ų51.61%0.00630%0.299CS..Hα-helixtrans-66.3-37.7175.6-50.10000112.4H165 T213 V214 T215 A220 V221 L232 Q235 I236H165-T217 VanDerWaalsContact NE2-CA 3.31Å; H165-T217 WeakPolarHBondContact NE2-CA 3.2Å; H165-T217 PolarHBondContact NE2-OG1 3Å; T213-T217 WeakPolarHBondContact O-CB 3.21Å; T213-T217 PolarHBondContact O-N 3.33Å; T213-T217 PolarHBondContact O-OG1 3.49Å; V214-T217 PolarHBondContact O-N 3.24Å; T215-T217 VanDerWaalsContact C-N 3.34Å; T215-T217 PolarHBondContact O-N 3.47Å; T217-A220 PolarHBondContact O-N 2.95Å; T217-V221 WeakPolarHBondContact O-CG2 3.46Å; T217-V221 PolarHBondContact O-N 3.22Å; T217-L232 HydrophobicContact CG2-CB 4.27Å; T217-L232 HydrophobicContact CG2-CD2 3.85Å; T217-Q235 HydrophobicContact CG2-CB 4.18Å; T217-Q235 HydrophobicContact CG2-CG 4Å; T217-I236 HydrophobicContact CG2-CD1 4.12Å; T217-I236 HydrophobicContact CG2-CG1 3.68Å
218A84.5Confident81.8Confident42 Ų4251.9 Ų51.935%0.34730%0.304SS..Hα-helixtrans-65.5-39.6175.200000111.8V214 T215 A220 V221 V222V214-A218 WeakPolarHBondContact O-CB 3.39Å; V214-A218 PolarHBondContact O-N 2.72Å; T215-A218 PolarHBondContact O-N 2.85Å; A218-A220 VanDerWaalsContact C-N 3.33Å; A218-A220 PolarHBondContact O-N 3.47Å; A218-V221 WeakPolarHBondContact O-CB 3.36Å; A218-V221 PolarHBondContact O-N 3.5Å; A218-V221 VanDerWaalsContact O-N 3.17Å; A218-V222 WeakPolarHBondContact O-CG2 3.36Å; A218-V222 PolarHBondContact O-N 3.16Å; A218-V222 VanDerWaalsContact O-N 3.12Å
219L83.8Confident81.2Confident68 Ų6850.6 Ų50.636%0.35630%0.297SS..Hα-helixtrans-61.4-40.9174.3-69.9172.7000111.9Y95 T215 Q216 V221 V222 W223Y95-L219 HydrophobicContact CD1-CD1 4.45Å; T215-L219 HydrophobicContact CG2-CD1 4.4Å; T215-L219 WeakPolarHBondContact O-CG 3.18Å; T215-L219 PolarHBondContact O-N 3.29Å; Q216-L219 PolarHBondContact O-N 3.46Å; L219-V221 VanDerWaalsContact C-N 3.27Å; L219-V221 PolarHBondContact O-N 2.86Å; L219-V222 PolarHBondContact O-N 3.34Å; L219-W223 PolarHBondContact O-N 3.12Å
220A79.3Confident80.8Confident1 Ų160.3 Ų60.31%0.00833%0.333CS..Hα-helixtrans-65.6-26.3175.900000113.6Q216 T217 A218 W223 L232Q216-A220 PolarHBondContact O-N 2.93Å; Q216-A220 VanDerWaalsContact O-N 3.12Å; T217-A220 PolarHBondContact O-N 2.95Å; A218-A220 VanDerWaalsContact C-N 3.33Å; A218-A220 PolarHBondContact O-N 3.47Å; A220-W223 CarbonylContact O-C 3.02Å; A220-L232 HydrophobicContact CB-CD1 4.29Å; A220-L232 HydrophobicContact CB-CD2 4.25Å
221V81.1Confident80.4Confident36 Ų3661.6 Ų61.622%0.21834%0.337CS..Hα-helixtrans-74.1-39.8172.4173.40000111.3T217 A218 L219 L232 Y233 I236T217-V221 WeakPolarHBondContact O-CG2 3.46Å; T217-V221 PolarHBondContact O-N 3.22Å; A218-V221 WeakPolarHBondContact O-CB 3.36Å; A218-V221 PolarHBondContact O-N 3.5Å; A218-V221 VanDerWaalsContact O-N 3.17Å; L219-V221 VanDerWaalsContact C-N 3.27Å; L219-V221 PolarHBondContact O-N 2.86Å; V221-L232 HydrophobicContact CG2-CB 3.79Å; V221-L232 HydrophobicContact CG2-CD1 4.02Å; V221-L232 HydrophobicContact CG2-CG 4.48Å; V221-Y233 HydrophobicContact CG1-CE1 4.37Å; V221-I236 HydrophobicContact CG2-CD1 3.92Å
222V82.1Confident80.1Confident103 Ų10359 Ų5962%0.62432%0.319SS*.Hα-helixtrans-73.4-37.7179.9177.50000111.6A218 L219 P224A218-V222 WeakPolarHBondContact O-CG2 3.36Å; A218-V222 PolarHBondContact O-N 3.16Å; A218-V222 VanDerWaalsContact O-N 3.12Å; L219-V222 PolarHBondContact O-N 3.34Å; V222-P224 WeakPolarHBondContact O-CD 3.27Å
223W77.9Confident79.7Confident187 Ų18761.8 Ų61.871%0.70833%0.325SS*.SBendtrans-113.281.2-179.8-68.385.3000109.9C96 L219 A220 C225C96-W223 PolarHBondContact SG-O 3.05Å; L219-W223 PolarHBondContact O-N 3.12Å; A220-W223 CarbonylContact O-C 3.02Å; W223-C225 PolarHBondContact O-N 3.43Å; W223-C225 VanDerWaalsContact O-N 3.11Å
224P70.2Confident79.6Confident90 Ų9066.1 Ų66.158%0.58434%0.344SS*.  trans-64.2113.8-175.725.6-34.4000110.7V222 M229V222-P224 WeakPolarHBondContact O-CD 3.27Å; P224-M229 HydrophobicContact CB-CE 3.5Å
225C66.7Low79.4Confident39 Ų3966.7 Ų66.726%0.26434%0.344SS..  trans-88-17.2172.155.20000113.6C96 N98 W223C96-C225 HydrophobicContact CB-CB 3.48Å; C96-C225 VanDerWaalsContact CB-CB 3.48Å; C96-C225 WeakPolarHBondContact CB-SG 3.19Å; C96-C225 WeakPolarHBondContact SG-CB 3.28Å; C96-C225 PolarHBondContact SG-N 3.35Å; C96-C225 CovalentContact SG-SG 2.01Å; C96-C225 PolarHBondContact SG-SG 3.33Å; N98-C225 PolarHBondContact ND2-O 3.03Å; N98-C225 PolarHBondContact OD1-O 3.16Å; N98-C225 PolarHBondContact OD1-SG 3.48Å; N98-C225 VanDerWaalsContact OD1-SG 3.34Å; W223-C225 PolarHBondContact O-N 3.43Å; W223-C225 VanDerWaalsContact O-N 3.11Å
226G66.3Low79.3Confident60 Ų6065.1 Ų65.162%0.61933%0.332SS*.SBendtrans124.3-2.2-17200000114N98N98-G226 VanDerWaalsContact OD1-CA 3.28Å; N98-G226 WeakPolarHBondContact OD1-CA 3.46Å; N98-G226 PolarHBondContact OD1-N 3.3Å
227F72.3Confident79.3Confident11 Ų1168.2 Ų68.25%0.04836%0.355CS..  trans-67.8143.5171.8-164.6-90.7000111.7N98 T99 I161 H165 M229 W231 L232N98-F227 PolarHBondContact OD1-N 2.96Å; T99-F227 HydrophobicContact CG2-CD2 4.22Å; T99-F227 HydrophobicContact CG2-CE2 4.24Å; I161-F227 HydrophobicContact CB-CE2 4.16Å; I161-F227 HydrophobicContact CB-CZ 3.96Å; I161-F227 HydrophobicContact CD1-CE1 4.28Å; I161-F227 HydrophobicContact CD1-CZ 3.65Å; I161-F227 HydrophobicContact CG1-CZ 4.4Å; I161-F227 HydrophobicContact CG2-CE2 4.06Å; I161-F227 HydrophobicContact CG2-CZ 3.86Å; H165-F227 HydrophobicContact CB-CD2 4.08Å; H165-F227 HydrophobicContact CB-CE2 3.98Å; H165-F227 HydrophobicContact CB-CG 4.4Å; H165-F227 HydrophobicContact CB-CZ 4.19Å; F227-M229 PolarHBondContact O-N 3.5Å; F227-W231 HydrophobicContact CE1-CB 3.86Å; F227-L232 HydrophobicContact CD1-CD1 4.06Å; F227-L232 HydrophobicContact CD1-CD2 3.61Å; F227-L232 HydrophobicContact CD1-CG 3.62Å; F227-L232 HydrophobicContact CE1-CD2 3.78Å; F227-L232 HydrophobicContact CE1-CG 4.02Å
228P76.8Confident79.4Confident59 Ų5968.9 Ų68.938%0.38336%0.358SS..  trans-69.8119.2-174.3-9.922.3000112.4I161 R230 W231I161-P228 HydrophobicContact CG2-CG 4.21Å; P228-R230 VanDerWaalsContact C-N 3.27Å; P228-R230 PolarHBondContact O-N 2.98Å; P228-R230 VanDerWaalsContact O-N 3.15Å; P228-W231 PolarHBondContact O-N 2.67Å; P228-W231 VanDerWaalsContact O-N 3.12Å
229M78Confident79.3Confident65 Ų6567.3 Ų67.332%0.3234%0.344SS..Hα-helixtrans-56.6-34-174.2-71.7-65.9171.400114.7P224 F227 W231 L232 Y233P224-M229 HydrophobicContact CB-CE 3.5Å; F227-M229 PolarHBondContact O-N 3.5Å; M229-W231 VanDerWaalsContact C-N 3.27Å; M229-W231 PolarHBondContact O-N 2.87Å; M229-L232 PolarHBondContact O-N 3.12Å; M229-L232 VanDerWaalsContact O-N 3.15Å; M229-L232 HydrophobicContact SD-CD1 3.88Å; M229-Y233 HydrophobicContact CB-CD2 4.48Å; M229-Y233 HydrophobicContact CB-CE2 4.16Å; M229-Y233 WeakPolarHBondContact O-CD2 3.44Å; M229-Y233 PolarHBondContact O-N 3.26Å
230R82.5Confident79.2Confident218 Ų21870.5 Ų70.582%0.82336%0.355SS*.Hα-helixtrans-58.5-40179.3-64-174.6-130.8-123.32.4112.1P228 F234P228-R230 VanDerWaalsContact C-N 3.27Å; P228-R230 PolarHBondContact O-N 2.98Å; P228-R230 VanDerWaalsContact O-N 3.15Å; R230-F234 WeakPolarHBondContact O-CB 3.39Å; R230-F234 PolarHBondContact O-N 3.32Å; R230-F234 VanDerWaalsContact O-N 3.07Å
231W80.1Confident79.5Confident38 Ų3872 Ų7214%0.14437%0.365CS..Hα-helixtrans-70.7-35178.3-71.1113.2000112.2M16 F156 W160 I161 F227 P228 M229 F234 Q235M16-W231 HydrophobicContact SD-CH2 3.64Å; M16-W231 HydrophobicContact SD-CZ2 3.63Å; F156-W231 HydrophobicContact CB-CH2 3.83Å; F156-W231 HydrophobicContact CB-CZ3 4.16Å; W160-W231 HydrophobicContact CB-CZ2 3.7Å; W160-W231 HydrophobicContact CD2-CZ2 4.32Å; W160-W231 AromaticContact CG-CZ2 3.96Å; W160-W231 HydrophobicContact CG-CZ2 3.96Å; I161-W231 HydrophobicContact CD1-CB 3.77Å; I161-W231 HydrophobicContact CD1-CD2 3.73Å; I161-W231 HydrophobicContact CD1-CE3 3.96Å; I161-W231 HydrophobicContact CD1-CG 3.64Å; I161-W231 HydrophobicContact CG1-CD2 4.23Å; I161-W231 HydrophobicContact CG1-CG 4.32Å; I161-W231 HydrophobicContact CG2-CG 4.35Å; F227-W231 HydrophobicContact CE1-CB 3.86Å; P228-W231 PolarHBondContact O-N 2.67Å; P228-W231 VanDerWaalsContact O-N 3.12Å; M229-W231 VanDerWaalsContact C-N 3.27Å; M229-W231 PolarHBondContact O-N 2.87Å; W231-F234 HydrophobicContact CE3-CD1 4.46Å; W231-F234 PolarHBondContact O-N 3.31Å; W231-Q235 WeakPolarHBondContact O-CB 3.33Å; W231-Q235 PolarHBondContact O-N 2.7Å
232L80.1Confident79.5Confident3 Ų370.3 Ų70.32%0.01636%0.355CS..Hα-helixtrans-65-45.3175.3-62.6172.9000111.5T217 A220 V221 F227 M229 F234 Q235 I236T217-L232 HydrophobicContact CG2-CB 4.27Å; T217-L232 HydrophobicContact CG2-CD2 3.85Å; A220-L232 HydrophobicContact CB-CD1 4.29Å; A220-L232 HydrophobicContact CB-CD2 4.25Å; V221-L232 HydrophobicContact CG2-CB 3.79Å; V221-L232 HydrophobicContact CG2-CD1 4.02Å; V221-L232 HydrophobicContact CG2-CG 4.48Å; F227-L232 HydrophobicContact CD1-CD1 4.06Å; F227-L232 HydrophobicContact CD1-CD2 3.61Å; F227-L232 HydrophobicContact CD1-CG 3.62Å; F227-L232 HydrophobicContact CE1-CD2 3.78Å; F227-L232 HydrophobicContact CE1-CG 4.02Å; M229-L232 PolarHBondContact O-N 3.12Å; M229-L232 VanDerWaalsContact O-N 3.15Å; M229-L232 HydrophobicContact SD-CD1 3.88Å; L232-F234 VanDerWaalsContact C-N 3.35Å; L232-F234 PolarHBondContact O-N 3.31Å; L232-Q235 PolarHBondContact O-N 3.07Å; L232-I236 WeakPolarHBondContact O-CG1 3.14Å; L232-I236 PolarHBondContact O-N 3.34Å
233Y83.2Confident79.4Confident142 Ų14267.2 Ų67.256%0.55734%0.335SS*.Hα-helixtrans-63.3-40.8175.8-70.3-59.1000112.4V221 M229 I236 S237V221-Y233 HydrophobicContact CG1-CE1 4.37Å; M229-Y233 HydrophobicContact CB-CD2 4.48Å; M229-Y233 HydrophobicContact CB-CE2 4.16Å; M229-Y233 WeakPolarHBondContact O-CD2 3.44Å; M229-Y233 PolarHBondContact O-N 3.26Å; Y233-I236 PolarHBondContact O-N 3.33Å; Y233-S237 WeakPolarHBondContact O-CB 3.12Å; Y233-S237 PolarHBondContact O-N 3.36Å
234F84.7Confident79.8Confident93 Ų9362 Ų6241%0.40832%0.323SS..Hα-helixtrans-60.1-46.5174.1179.2-99000111.5I153 R230 W231 L232 I236 S237 Y238I153-F234 HydrophobicContact CD1-CE1 4.41Å; I153-F234 HydrophobicContact CD1-CZ 4.24Å; I153-F234 HydrophobicContact CG1-CE1 4.2Å; I153-F234 HydrophobicContact CG1-CZ 4.05Å; I153-F234 HydrophobicContact CG2-CE1 3.97Å; R230-F234 WeakPolarHBondContact O-CB 3.39Å; R230-F234 PolarHBondContact O-N 3.32Å; R230-F234 VanDerWaalsContact O-N 3.07Å; W231-F234 HydrophobicContact CE3-CD1 4.46Å; W231-F234 PolarHBondContact O-N 3.31Å; L232-F234 VanDerWaalsContact C-N 3.35Å; L232-F234 PolarHBondContact O-N 3.31Å; F234-I236 PolarHBondContact O-N 2.83Å; F234-S237 PolarHBondContact O-N 3.09Å; F234-Y238 WeakPolarHBondContact O-CB 3.44Å; F234-Y238 PolarHBondContact O-N 3.45Å
235Q82.5Confident80.3Confident47 Ų4759.7 Ų59.722%0.2231%0.306CS..Hα-helixtrans-60.4-44.2177.4-179.666.7200112.1T217 W231 L232 Y238 M239T217-Q235 HydrophobicContact CG2-CB 4.18Å; T217-Q235 HydrophobicContact CG2-CG 4Å; W231-Q235 WeakPolarHBondContact O-CB 3.33Å; W231-Q235 PolarHBondContact O-N 2.7Å; L232-Q235 PolarHBondContact O-N 3.07Å; Q235-Y238 PolarHBondContact O-N 3.22Å; Q235-M239 WeakPolarHBondContact O-CB 3.45Å; Q235-M239 VanDerWaalsContact O-CG 3.28Å; Q235-M239 WeakPolarHBondContact O-CG 3.4Å; Q235-M239 PolarHBondContact O-N 3.16Å
236I83.4Confident80.8Confident49 Ų4959.2 Ų59.225%0.25130%0.299SS..Hα-helixtrans-61.9-47.6176.7-69.6168.9000110.7T217 V221 L232 Y233 F234 Y238 M239 F240T217-I236 HydrophobicContact CG2-CD1 4.12Å; T217-I236 HydrophobicContact CG2-CG1 3.68Å; V221-I236 HydrophobicContact CG2-CD1 3.92Å; L232-I236 WeakPolarHBondContact O-CG1 3.14Å; L232-I236 PolarHBondContact O-N 3.34Å; Y233-I236 PolarHBondContact O-N 3.33Å; F234-I236 PolarHBondContact O-N 2.83Å; I236-Y238 PolarHBondContact O-N 3.33Å; I236-M239 PolarHBondContact O-N 2.92Å; I236-F240 WeakPolarHBondContact O-CB 3.23Å; I236-F240 PolarHBondContact O-N 3.06Å
237S86.3Confident81.3Confident80 Ų8058.5 Ų58.556%0.55928%0.284SS*.Hα-helixtrans-59.6-46.1178.9-177.40000111.8Y233 F234 F240 S241Y233-S237 WeakPolarHBondContact O-CB 3.12Å; Y233-S237 PolarHBondContact O-N 3.36Å; F234-S237 PolarHBondContact O-N 3.09Å; S237-F240 PolarHBondContact O-N 2.95Å; S237-S241 PolarHBondContact O-N 3.5Å; S237-S241 VanDerWaalsContact O-N 3.16Å
238Y85Confident81.9Confident15 Ų1562.7 Ų62.76%0.05931%0.308CS..Hα-helixtrans-63.9-47.1178.3-178.5-114.8000111.9S149 M150 I153 F234 Q235 I236 F240 S241 F242S149-Y238 PolarHBondContact OG-OH 3.39Å; M150-Y238 WeakPolarHBondContact CG-OH 3.31Å; M150-Y238 HydrophobicContact SD-CE1 3.89Å; M150-Y238 PolarHBondContact SD-OH 3.06Å; I153-Y238 HydrophobicContact CD1-CD1 4.12Å; I153-Y238 HydrophobicContact CD1-CD2 3.56Å; I153-Y238 HydrophobicContact CD1-CE1 3.84Å; I153-Y238 HydrophobicContact CD1-CE2 3.21Å; I153-Y238 HydrophobicContact CD1-CG 3.99Å; F234-Y238 WeakPolarHBondContact O-CB 3.44Å; F234-Y238 PolarHBondContact O-N 3.45Å; Q235-Y238 PolarHBondContact O-N 3.22Å; I236-Y238 PolarHBondContact O-N 3.33Å; Y238-F240 VanDerWaalsContact C-N 3.32Å; Y238-F240 PolarHBondContact O-N 3.45Å; Y238-S241 WeakPolarHBondContact O-CB 3.19Å; Y238-S241 PolarHBondContact O-N 3.16Å; Y238-S241 PolarHBondContact O-OG 3.24Å; Y238-F242 HydrophobicContact CD1-CD2 4.48Å; Y238-F242 HydrophobicContact CD2-CD2 4.38Å; Y238-F242 HydrophobicContact CD2-CE2 4.26Å; Y238-F242 HydrophobicContact CE1-CD2 4.08Å; Y238-F242 AromaticContact CE1-CE2 3.84Å; Y238-F242 HydrophobicContact CE1-CE2 3.84Å; Y238-F242 AromaticContact CE2-CD2 3.98Å; Y238-F242 HydrophobicContact CE2-CD2 3.98Å; Y238-F242 AromaticContact CE2-CE2 3.44Å; Y238-F242 HydrophobicContact CE2-CE2 3.44Å; Y238-F242 VanDerWaalsContact CE2-CE2 3.44Å; Y238-F242 HydrophobicContact CE2-CZ 4.49Å; Y238-F242 AromaticContact CZ-CD2 3.83Å; Y238-F242 AromaticContact CZ-CE2 3.19Å; Y238-F242 AromaticContact CZ-CZ 3.98Å; Y238-F242 PolarHBondContact O-N 3.31Å; Y238-F242 WeakPolarHBondContact OH-CE2 3.39Å; Y238-F242 WeakPolarHBondContact OH-CZ 3.29Å
239M82.4Confident82.1Confident10 Ų1063 Ų635%0.04930%0.303CS..Hα-helixtrans-63-36.5177.4-72.8-64.1103.200112.8F210 T213 V214 Q235 I236 S241 F242 I243F210-M239 HydrophobicContact CD1-SD 3.99Å; T213-M239 HydrophobicContact CG2-CG 4.37Å; T213-M239 HydrophobicContact CG2-SD 4.18Å; V214-M239 HydrophobicContact CG2-CB 3.36Å; V214-M239 HydrophobicContact CG2-CG 4.05Å; Q235-M239 WeakPolarHBondContact O-CB 3.45Å; Q235-M239 VanDerWaalsContact O-CG 3.28Å; Q235-M239 WeakPolarHBondContact O-CG 3.4Å; Q235-M239 PolarHBondContact O-N 3.16Å; I236-M239 PolarHBondContact O-N 2.92Å; M239-S241 VanDerWaalsContact C-N 3.34Å; M239-S241 PolarHBondContact O-N 2.9Å; M239-F242 WeakPolarHBondContact O-CB 3.28Å; M239-F242 PolarHBondContact O-N 2.77Å; M239-F242 VanDerWaalsContact O-N 3.17Å; M239-I243 WeakPolarHBondContact O-CG1 3.47Å; M239-I243 PolarHBondContact O-N 3.15Å
240F83.4Confident82Confident135 Ų13562.6 Ų62.659%0.59230%0.298SS*.Hα-helixtrans-61.2-42.9174.5-175.8-100000111.7I236 S237 Y238 F242 I243 V244I236-F240 WeakPolarHBondContact O-CB 3.23Å; I236-F240 PolarHBondContact O-N 3.06Å; S237-F240 PolarHBondContact O-N 2.95Å; Y238-F240 VanDerWaalsContact C-N 3.32Å; Y238-F240 PolarHBondContact O-N 3.45Å; F240-F242 PolarHBondContact O-N 3.47Å; F240-I243 PolarHBondContact O-N 3.34Å; F240-V244 HydrophobicContact CD1-CG2 4.33Å; F240-V244 HydrophobicContact CE1-CG2 3.93Å; F240-V244 HydrophobicContact CZ-CG2 4.08Å; F240-V244 WeakPolarHBondContact O-CG2 3.22Å; F240-V244 PolarHBondContact O-N 3.43Å; F240-V244 VanDerWaalsContact O-N 3.09Å
241S85.1Confident81.9Confident31 Ų3155.3 Ų55.322%0.21728%0.278CS..Hα-helixtrans-57.4-39.8174.780.90000112Y145 S237 Y238 M239 V244 L245Y145-S241 PolarHBondContact OH-OG 3.34Å; S237-S241 PolarHBondContact O-N 3.5Å; S237-S241 VanDerWaalsContact O-N 3.16Å; Y238-S241 WeakPolarHBondContact O-CB 3.19Å; Y238-S241 PolarHBondContact O-N 3.16Å; Y238-S241 PolarHBondContact O-OG 3.24Å; M239-S241 VanDerWaalsContact C-N 3.34Å; M239-S241 PolarHBondContact O-N 2.9Å; S241-V244 PolarHBondContact O-N 3.3Å; S241-L245 WeakPolarHBondContact O-CD1 3.04Å; S241-L245 WeakPolarHBondContact O-CG 3.3Å; S241-L245 PolarHBondContact O-N 2.85Å; S241-L245 VanDerWaalsContact O-N 3.09Å
242F79.7Confident81.9Confident1 Ų159.1 Ų59.10%0.00430%0.297CS..Hα-helixtrans-66.1-45.2177-96-97.3000112.9L142 Y145 H146 F210 Y238 M239 F240 V244 L245 F246L142-F242 HydrophobicContact CD1-CE1 4.43Å; Y145-F242 HydrophobicContact CD1-CE2 4.12Å; Y145-F242 HydrophobicContact CD1-CZ 4.25Å; Y145-F242 HydrophobicContact CE1-CD2 4.22Å; Y145-F242 AromaticContact CE1-CE2 3.59Å; Y145-F242 HydrophobicContact CE1-CE2 3.59Å; Y145-F242 HydrophobicContact CE1-CZ 4.18Å; H146-F242 HydrophobicContact CB-CE1 3.83Å; H146-F242 HydrophobicContact CB-CZ 3.64Å; H146-F242 AromaticContact CD2-CE1 3.33Å; H146-F242 WeakPolarHBondContact CD2-CE1 3.25Å; H146-F242 AromaticContact CD2-CZ 3.42Å; H146-F242 VanDerWaalsContact CD2-CZ 3.42Å; H146-F242 WeakPolarHBondContact CD2-CZ 3.39Å; H146-F242 AromaticContact CG-CE1 3.9Å; H146-F242 AromaticContact CG-CZ 3.91Å; F210-F242 HydrophobicContact CE1-CD1 4.07Å; F210-F242 HydrophobicContact CE2-CD1 4.35Å; F210-F242 AromaticContact CZ-CD1 3.78Å; F210-F242 HydrophobicContact CZ-CD1 3.78Å; Y238-F242 HydrophobicContact CD1-CD2 4.48Å; Y238-F242 HydrophobicContact CD2-CD2 4.38Å; Y238-F242 HydrophobicContact CD2-CE2 4.26Å; Y238-F242 HydrophobicContact CE1-CD2 4.08Å; Y238-F242 AromaticContact CE1-CE2 3.84Å; Y238-F242 HydrophobicContact CE1-CE2 3.84Å; Y238-F242 AromaticContact CE2-CD2 3.98Å; Y238-F242 HydrophobicContact CE2-CD2 3.98Å; Y238-F242 AromaticContact CE2-CE2 3.44Å; Y238-F242 HydrophobicContact CE2-CE2 3.44Å; Y238-F242 VanDerWaalsContact CE2-CE2 3.44Å; Y238-F242 HydrophobicContact CE2-CZ 4.49Å; Y238-F242 AromaticContact CZ-CD2 3.83Å; Y238-F242 AromaticContact CZ-CE2 3.19Å; Y238-F242 AromaticContact CZ-CZ 3.98Å; Y238-F242 PolarHBondContact O-N 3.31Å; Y238-F242 WeakPolarHBondContact OH-CE2 3.39Å; Y238-F242 WeakPolarHBondContact OH-CZ 3.29Å; M239-F242 WeakPolarHBondContact O-CB 3.28Å; M239-F242 PolarHBondContact O-N 2.77Å; M239-F242 VanDerWaalsContact O-N 3.17Å; F240-F242 PolarHBondContact O-N 3.47Å; F242-V244 VanDerWaalsContact C-N 3.29Å; F242-V244 PolarHBondContact O-N 2.86Å; F242-L245 PolarHBondContact O-N 3.04Å; F242-F246 AromaticContact CD1-CD2 3.85Å; F242-F246 HydrophobicContact CD1-CD2 3.85Å; F242-F246 AromaticContact CD1-CE2 3.6Å; F242-F246 HydrophobicContact CD1-CE2 3.6Å; F242-F246 HydrophobicContact CE1-CD2 4.49Å; F242-F246 AromaticContact CE1-CE2 3.87Å; F242-F246 HydrophobicContact CE1-CE2 3.87Å; F242-F246 WeakPolarHBondContact O-CB 3.32Å; F242-F246 WeakPolarHBondContact O-CD2 3.19Å; F242-F246 PolarHBondContact O-N 3.3Å
243I81.3Confident81.7Confident39 Ų3961.4 Ų61.420%0.231%0.311CS..Hα-helixtrans-58.2-44.7177.4-69.8168.3000110.3F210 V214 M239 F240 S247F210-I243 HydrophobicContact CB-CD1 4.5Å; F210-I243 HydrophobicContact CB-CG1 3.94Å; V214-I243 HydrophobicContact CG2-CD1 3.92Å; M239-I243 WeakPolarHBondContact O-CG1 3.47Å; M239-I243 PolarHBondContact O-N 3.15Å; F240-I243 PolarHBondContact O-N 3.34Å; I243-S247 WeakPolarHBondContact O-CB 3.5Å; I243-S247 PolarHBondContact O-N 2.98Å; I243-S247 PolarHBondContact O-OG 2.01Å
244V85.3Confident81.4Confident77 Ų7756.4 Ų56.447%0.46729%0.292SS..Hα-helixtrans-62.3-48.7178.7172.90000111.2F240 S241 F242 S247 N248F240-V244 HydrophobicContact CD1-CG2 4.33Å; F240-V244 HydrophobicContact CE1-CG2 3.93Å; F240-V244 HydrophobicContact CZ-CG2 4.08Å; F240-V244 WeakPolarHBondContact O-CG2 3.22Å; F240-V244 PolarHBondContact O-N 3.43Å; F240-V244 VanDerWaalsContact O-N 3.09Å; S241-V244 PolarHBondContact O-N 3.3Å; F242-V244 VanDerWaalsContact C-N 3.29Å; F242-V244 PolarHBondContact O-N 2.86Å; V244-S247 PolarHBondContact O-N 3.47Å; V244-N248 WeakPolarHBondContact O-CB 3.46Å; V244-N248 PolarHBondContact O-N 3.33Å
245L81.4Confident80.8Confident42 Ų4257.8 Ų57.822%0.2230%0.298CS..Hα-helixtrans-67.4-43.9-177.7-69.4161.7000112.6F141 L142 Y145 S241 F242 N248 F249F141-L245 HydrophobicContact CD1-CD2 4.05Å; F141-L245 HydrophobicContact CE1-CD2 3.88Å; L142-L245 HydrophobicContact CD1-CB 3.76Å; L142-L245 HydrophobicContact CD1-CD1 4.24Å; Y145-L245 HydrophobicContact CD1-CD1 3.68Å; Y145-L245 HydrophobicContact CE1-CD1 3.69Å; S241-L245 WeakPolarHBondContact O-CD1 3.04Å; S241-L245 WeakPolarHBondContact O-CG 3.3Å; S241-L245 PolarHBondContact O-N 2.85Å; S241-L245 VanDerWaalsContact O-N 3.09Å; F242-L245 PolarHBondContact O-N 3.04Å; L245-N248 PolarHBondContact O-N 3.43Å; L245-F249 PolarHBondContact O-N 3.48Å
246F76.7Confident80.3Confident28 Ų2861.2 Ų61.212%0.12331%0.312CS..Hα-helixtrans-67.7-37.4177.2-92.7-93.8000112.2L142 Q206 F210 F242 F249 Y250L142-F246 HydrophobicContact CD1-CD2 3.82Å; L142-F246 HydrophobicContact CD1-CE2 3.68Å; L142-F246 HydrophobicContact CD2-CD1 4.19Å; L142-F246 HydrophobicContact CD2-CD2 3.76Å; L142-F246 HydrophobicContact CD2-CE1 4.2Å; L142-F246 HydrophobicContact CD2-CE2 3.77Å; L142-F246 HydrophobicContact CD2-CG 3.98Å; L142-F246 HydrophobicContact CD2-CZ 4Å; L142-F246 HydrophobicContact CG-CD2 4.33Å; L142-F246 HydrophobicContact CG-CE2 4.05Å; L142-F246 HydrophobicContact CG-CZ 4.46Å; Q206-F246 HydrophobicContact CB-CE1 4.43Å; F210-F246 HydrophobicContact CD2-CD2 4.42Å; F210-F246 HydrophobicContact CD2-CG 4.48Å; F210-F246 HydrophobicContact CE2-CB 4.43Å; F210-F246 HydrophobicContact CE2-CD1 4.1Å; F210-F246 AromaticContact CE2-CD2 3.51Å; F210-F246 HydrophobicContact CE2-CD2 3.51Å; F210-F246 HydrophobicContact CE2-CE1 4.22Å; F210-F246 AromaticContact CE2-CE2 3.65Å; F210-F246 HydrophobicContact CE2-CE2 3.65Å; F210-F246 AromaticContact CE2-CG 3.75Å; F210-F246 HydrophobicContact CE2-CG 3.75Å; F210-F246 HydrophobicContact CE2-CZ 4.01Å; F210-F246 HydrophobicContact CZ-CD2 4.04Å; F210-F246 AromaticContact CZ-CE2 3.74Å; F210-F246 HydrophobicContact CZ-CE2 3.74Å; F210-F246 HydrophobicContact CZ-CZ 4.09Å; F242-F246 AromaticContact CD1-CD2 3.85Å; F242-F246 HydrophobicContact CD1-CD2 3.85Å; F242-F246 AromaticContact CD1-CE2 3.6Å; F242-F246 HydrophobicContact CD1-CE2 3.6Å; F242-F246 HydrophobicContact CE1-CD2 4.49Å; F242-F246 AromaticContact CE1-CE2 3.87Å; F242-F246 HydrophobicContact CE1-CE2 3.87Å; F242-F246 WeakPolarHBondContact O-CB 3.32Å; F242-F246 WeakPolarHBondContact O-CD2 3.19Å; F242-F246 PolarHBondContact O-N 3.3Å; F246-F249 PolarHBondContact O-N 3.26Å; F246-Y250 WeakPolarHBondContact O-CB 2.97Å; F246-Y250 PolarHBondContact O-N 2.94Å
247S77.7Confident79.6Confident45 Ų4567 Ų6732%0.31533%0.33SS..Hα-helixtrans-64.1-42.8175.1-630000111.2I243 V244 Y250 V251I243-S247 WeakPolarHBondContact O-CB 3.5Å; I243-S247 PolarHBondContact O-N 2.98Å; I243-S247 PolarHBondContact O-OG 2.01Å; V244-S247 PolarHBondContact O-N 3.47Å; S247-Y250 PolarHBondContact O-N 2.91Å; S247-V251 VanDerWaalsContact O-CG2 3.31Å; S247-V251 WeakPolarHBondContact O-CG2 3.38Å; S247-V251 PolarHBondContact O-N 2.69Å
248N84.8Confident78.8Confident100 Ų10067 Ų6754%0.53532%0.323SS..Hα-helixtrans-59.9-49174.6-170.2-9.3000111.3V244 L245 Y250 V251 Q252V244-N248 WeakPolarHBondContact O-CB 3.46Å; V244-N248 PolarHBondContact O-N 3.33Å; L245-N248 PolarHBondContact O-N 3.43Å; N248-Y250 VanDerWaalsContact C-N 3.34Å; N248-Y250 PolarHBondContact O-N 3.34Å; N248-V251 PolarHBondContact O-N 3.11Å; N248-Q252 WeakPolarHBondContact O-CB 3.48Å; N248-Q252 PolarHBondContact O-N 3.1Å
249F79.8Confident78.1Confident66 Ų6670 Ų7029%0.28934%0.34SS..Hα-helixtrans-57.6-43.8175.6174.4-98.6000112.7L142 L245 F246 Q252 T253L142-F249 HydrophobicContact CD2-CB 4.19Å; L142-F249 HydrophobicContact CD2-CG 4.5Å; L245-F249 PolarHBondContact O-N 3.48Å; F246-F249 PolarHBondContact O-N 3.26Å; F249-Q252 PolarHBondContact O-N 3.25Å; F249-T253 WeakPolarHBondContact CE2-OG1 2.81Å; F249-T253 HydrophobicContact CZ-CG2 4.41Å; F249-T253 VanDerWaalsContact O-CB 3.24Å; F249-T253 WeakPolarHBondContact O-CB 3.41Å; F249-T253 PolarHBondContact O-N 3.27Å; F249-T253 PolarHBondContact O-OG1 2.84Å
250Y77.2Confident77.3Confident55 Ų5572.8 Ų72.822%0.21636%0.361CS..Hα-helixtrans-64.2-46.4179.7-179.5-93.8000111.7R200 T203 F246 S247 N248 Q252 T253 Y254R200-Y250 PolarHBondContact NH2-OH 3.35Å; T203-Y250 HydrophobicContact CG2-CD2 4.04Å; F246-Y250 WeakPolarHBondContact O-CB 2.97Å; F246-Y250 PolarHBondContact O-N 2.94Å; S247-Y250 PolarHBondContact O-N 2.91Å; N248-Y250 VanDerWaalsContact C-N 3.34Å; N248-Y250 PolarHBondContact O-N 3.34Å; Y250-Q252 PolarHBondContact O-N 3.37Å; Y250-T253 PolarHBondContact O-N 3.08Å; Y250-Y254 AromaticContact CD2-CD2 3.56Å; Y250-Y254 HydrophobicContact CD2-CD2 3.56Å; Y250-Y254 HydrophobicContact CD2-CE2 4.12Å; Y250-Y254 HydrophobicContact CD2-CG 4.34Å; Y250-Y254 AromaticContact CE2-CD2 3.86Å; Y250-Y254 HydrophobicContact CE2-CD2 3.86Å; Y250-Y254 HydrophobicContact CE2-CE2 4.49Å; Y250-Y254 HydrophobicContact CE2-CG 4.23Å; Y250-Y254 HydrophobicContact CG-CD2 4.22Å; Y250-Y254 WeakPolarHBondContact O-CB 3.42Å; Y250-Y254 PolarHBondContact O-N 3.08Å
251V80.8Confident76.6Confident65 Ų6571 Ų7139%0.39435%0.354SS..Iπ-helixtrans-62-44.3177.4170.90000110.9S247 N248 K255 K256S247-V251 VanDerWaalsContact O-CG2 3.31Å; S247-V251 WeakPolarHBondContact O-CG2 3.38Å; S247-V251 PolarHBondContact O-N 2.69Å; N248-V251 PolarHBondContact O-N 3.11Å; V251-K255 HydrophobicContact CG1-CB 4.4Å; V251-K255 WeakPolarHBondContact O-CB 3.09Å; V251-K255 PolarHBondContact O-N 3.48Å; V251-K256 PolarHBondContact O-N 3.31Å
252Q78.2Confident75.7Confident119 Ų11975.5 Ų75.556%0.55637%0.37SS*.Iπ-helixtrans-68.5-38.5-179-167.4171.530.500112.8N248 F249 Y250N248-Q252 WeakPolarHBondContact O-CB 3.48Å; N248-Q252 PolarHBondContact O-N 3.1Å; F249-Q252 PolarHBondContact O-N 3.25Å; Y250-Q252 PolarHBondContact O-N 3.37Å
253T77.3Confident75.3Confident50 Ų5082.2 Ų82.231%0.30740%0.399SS..Iπ-helixtrans-84.5-42.3-174.2-57.40000112.9F249 Y250 R257F249-T253 WeakPolarHBondContact CE2-OG1 2.81Å; F249-T253 HydrophobicContact CZ-CG2 4.41Å; F249-T253 VanDerWaalsContact O-CB 3.24Å; F249-T253 WeakPolarHBondContact O-CB 3.41Å; F249-T253 PolarHBondContact O-N 3.27Å; F249-T253 PolarHBondContact O-OG1 2.84Å; Y250-T253 PolarHBondContact O-N 3.08Å; T253-R257 WeakPolarHBondContact O-CB 3.38Å
254Y75.6Confident74.6Confident38 Ų3887.2 Ų87.215%0.14942%0.422CS..Iπ-helixtrans-105.2-47.9-170.9-63.6-79.9000112.4R200 T203 Y250 R257 I258R200-Y254 HydrophobicContact CB-CE1 4.17Å; R200-Y254 HydrophobicContact CG-CD1 4.36Å; R200-Y254 HydrophobicContact CG-CE1 4.25Å; T203-Y254 HydrophobicContact CG2-CE2 4.41Å; Y250-Y254 AromaticContact CD2-CD2 3.56Å; Y250-Y254 HydrophobicContact CD2-CD2 3.56Å; Y250-Y254 HydrophobicContact CD2-CE2 4.12Å; Y250-Y254 HydrophobicContact CD2-CG 4.34Å; Y250-Y254 AromaticContact CE2-CD2 3.86Å; Y250-Y254 HydrophobicContact CE2-CD2 3.86Å; Y250-Y254 HydrophobicContact CE2-CE2 4.49Å; Y250-Y254 HydrophobicContact CE2-CG 4.23Å; Y250-Y254 HydrophobicContact CG-CD2 4.22Å; Y250-Y254 WeakPolarHBondContact O-CB 3.42Å; Y250-Y254 PolarHBondContact O-N 3.08Å; Y254-R257 PolarHBondContact O-N 3.46Å; Y254-I258 WeakPolarHBondContact O-CD1 3.46Å; Y254-I258 VanDerWaalsContact O-CG1 3.23Å; Y254-I258 WeakPolarHBondContact O-CG1 3.34Å; Y254-I258 PolarHBondContact O-N 2.8Å; Y254-I258 VanDerWaalsContact O-N 3.08Å
255K73.4Confident73.6Confident121 Ų12193.4 Ų93.453%0.52644%0.437SS..Iπ-helixtrans-71.1-49.9-174.6-162.6174.8-179.1-179.70111.7V251 R257 I258 D259V251-K255 HydrophobicContact CG1-CB 4.4Å; V251-K255 WeakPolarHBondContact O-CB 3.09Å; V251-K255 PolarHBondContact O-N 3.48Å; K255-R257 VanDerWaalsContact C-N 3.26Å; K255-R257 PolarHBondContact O-N 3.31Å; K255-I258 PolarHBondContact O-N 2.89Å; K255-I258 VanDerWaalsContact O-N 3.17Å; K255-D259 PolarHBondContact O-N 3.48Å
256K71.6Confident72.6Confident120 Ų12096.8 Ų96.852%0.52245%0.451SS..Hα-helixtrans-59.8-35.2175.7-70.7-172.4179.4-179.90112.7V251 D259 S260V251-K256 PolarHBondContact O-N 3.31Å; K256-D259 PolarHBondContact O-N 3.23Å; K256-S260 WeakPolarHBondContact O-CB 3.3Å; K256-S260 PolarHBondContact O-N 2.92Å; K256-S260 PolarHBondContact O-OG 3.25Å; K256-S260 VanDerWaalsContact O-OG 3.06Å
257R67.9Low71.6Confident169 Ų169101.2 Ų101.264%0.63848%0.477SS*.Hα-helixtrans-68.7-39.8177.8-166178.3-173.5-167.31.2112.3T253 Y254 K255 Q261T253-R257 WeakPolarHBondContact O-CB 3.38Å; Y254-R257 PolarHBondContact O-N 3.46Å; K255-R257 VanDerWaalsContact C-N 3.26Å; K255-R257 PolarHBondContact O-N 3.31Å; R257-Q261 WeakPolarHBondContact O-CB 3.21Å; R257-Q261 VanDerWaalsContact O-CG 3.29Å; R257-Q261 WeakPolarHBondContact O-CG 3.33Å; R257-Q261 PolarHBondContact O-N 3.22Å
258I70.5Confident70.5Confident81 Ų81101.9 Ų101.942%0.41549%0.49SS..Hα-helixtrans-65.9-43.9174.7-68.8164.6000110.2Y254 K255 Q261 K262Y254-I258 WeakPolarHBondContact O-CD1 3.46Å; Y254-I258 VanDerWaalsContact O-CG1 3.23Å; Y254-I258 WeakPolarHBondContact O-CG1 3.34Å; Y254-I258 PolarHBondContact O-N 2.8Å; Y254-I258 VanDerWaalsContact O-N 3.08Å; K255-I258 PolarHBondContact O-N 2.89Å; K255-I258 VanDerWaalsContact O-N 3.17Å; I258-Q261 PolarHBondContact O-N 2.64Å; I258-K262 VanDerWaalsContact O-CB 3.31Å; I258-K262 WeakPolarHBondContact O-CB 3.35Å; I258-K262 PolarHBondContact O-N 3.41Å
259D69.6Low68.7Low77 Ų77101.3 Ų101.341%0.41249%0.494SS..Hα-helixtrans-65.5-40.1179.6-66.1-23.4000111.8K255 K256 K262 K263K255-D259 PolarHBondContact O-N 3.48Å; K256-D259 PolarHBondContact O-N 3.23Å; D259-K262 PolarHBondContact O-N 2.49Å; D259-K263 WeakPolarHBondContact O-CB 3.31Å; D259-K263 WeakPolarHBondContact O-CG 3.36Å; D259-K263 PolarHBondContact O-N 2.65Å
260S67Low66.8Low69 Ų69103 Ų10348%0.48351%0.514SS..Hα-helixtrans-64.9-43.5172.8-64.90000112.3K256 K262 K263 E264K256-S260 WeakPolarHBondContact O-CB 3.3Å; K256-S260 PolarHBondContact O-N 2.92Å; K256-S260 PolarHBondContact O-OG 3.25Å; K256-S260 VanDerWaalsContact O-OG 3.06Å; S260-K262 VanDerWaalsContact C-N 3.32Å; S260-K262 PolarHBondContact O-N 3.01Å; S260-K263 PolarHBondContact O-N 2.75Å; S260-E264 PolarHBondContact O-N 3.42Å
261Q67.1Low65Low97 Ų97104.7 Ų104.745%0.45354%0.54SS..Hα-helixtrans-66-34.1176.2-76.3-178.9-1.500112.5R257 I258 R265R257-Q261 WeakPolarHBondContact O-CB 3.21Å; R257-Q261 VanDerWaalsContact O-CG 3.29Å; R257-Q261 WeakPolarHBondContact O-CG 3.33Å; R257-Q261 PolarHBondContact O-N 3.22Å; I258-Q261 PolarHBondContact O-N 2.64Å; Q261-R265 WeakPolarHBondContact O-CB 3.37Å; Q261-R265 WeakPolarHBondContact O-CG 3.42Å; Q261-R265 PolarHBondContact O-N 3.34Å
262K67.9Low63.1Low127 Ų127106.4 Ų106.455%0.55255%0.554SS**Hα-helixtrans-70-40.1174.9-169.7176178.9-1770111.3I258 D259 S260 R265 Q266I258-K262 VanDerWaalsContact O-CB 3.31Å; I258-K262 WeakPolarHBondContact O-CB 3.35Å; I258-K262 PolarHBondContact O-N 3.41Å; D259-K262 PolarHBondContact O-N 2.49Å; S260-K262 VanDerWaalsContact C-N 3.32Å; S260-K262 PolarHBondContact O-N 3.01Å; K262-R265 PolarHBondContact O-N 3.29Å; K262-Q266 WeakPolarHBondContact O-CB 3.17Å; K262-Q266 PolarHBondContact O-N 2.98Å
263K69.4Low61.4Low141 Ų141106.1 Ų106.161%0.61356%0.561SS**Hα-helixtrans-65.4-42.5172.9-79.6-178.3175.3-174.70112.7D259 S260 Q266 N267D259-K263 WeakPolarHBondContact O-CB 3.31Å; D259-K263 WeakPolarHBondContact O-CG 3.36Å; D259-K263 PolarHBondContact O-N 2.65Å; S260-K263 PolarHBondContact O-N 2.75Å; K263-Q266 PolarHBondContact O-N 2.9Å; K263-N267 WeakPolarHBondContact O-CB 3.48Å; K263-N267 PolarHBondContact O-N 3.43Å
264E67.1Low59.4Low145 Ų145111.5 Ų111.568%0.67859%0.588SS**Hα-helixtrans-63.1-40.8173.8-80.1178.4170.100111.9S260 G268S260-E264 PolarHBondContact O-N 3.42Å; E264-G268 PolarHBondContact O-N 2.98Å
265R64Low57.2Low206 Ų206113.4 Ų113.478%0.77762%0.619SS**Hα-helixtrans-65.9-36.6174.4-79-177.1177.5-158.5-0.6112.9Q261 K262 S269Q261-R265 WeakPolarHBondContact O-CB 3.37Å; Q261-R265 WeakPolarHBondContact O-CG 3.42Å; Q261-R265 PolarHBondContact O-N 3.34Å; K262-R265 PolarHBondContact O-N 3.29Å; R265-S269 WeakPolarHBondContact O-CB 3.29Å; R265-S269 PolarHBondContact O-N 2.77Å
266Q61.2Low55.2Low113 Ų113117.3 Ų117.353%0.52864%0.638SS.*Hα-helixtrans-70.4-45.4175.1-81.2178.4-26.600111.7K262 K263 G268 S269 S270K262-Q266 WeakPolarHBondContact O-CB 3.17Å; K262-Q266 PolarHBondContact O-N 2.98Å; K263-Q266 PolarHBondContact O-N 2.9Å; Q266-G268 PolarHBondContact O-N 3.46Å; Q266-S269 PolarHBondContact O-N 3Å; Q266-S270 PolarHBondContact O-N 3.04Å; Q266-S270 PolarHBondContact O-OG 3.24Å
267N56.7Low53.2Low122 Ų122116.1 Ų116.165%0.65265%0.651SS**Hα-helixtrans-70.2-31.4179.4-71.72000113K263 S269K263-N267 WeakPolarHBondContact O-CB 3.48Å; K263-N267 PolarHBondContact O-N 3.43Å; N267-S269 VanDerWaalsContact C-N 3.32Å
268G53.1Low51.4Low58 Ų58116.3 Ų116.360%0.59866%0.664SS**Hα-helixtrans-74.8-20172.600000113.9E264 Q266E264-G268 PolarHBondContact O-N 2.98Å; Q266-G268 PolarHBondContact O-N 3.46Å
269S46.4Very low49.4Very low89 Ų89115.5 Ų115.562%0.62268%0.676SS**Hα-helixtrans-84.9-21.2175.4-162.50000112.8R265 Q266 N267 A271R265-S269 WeakPolarHBondContact O-CB 3.29Å; R265-S269 PolarHBondContact O-N 2.77Å; Q266-S269 PolarHBondContact O-N 3Å; N267-S269 VanDerWaalsContact C-N 3.32Å; S269-A271 VanDerWaalsContact C-N 3.33Å
270S40.3Very low47.4Very low101 Ų101119 Ų11971%0.70670%0.701SS**THydrogen-bonded Turntrans-82.2-3.1178.1-62.20000114.5Q266Q266-S270 PolarHBondContact O-N 3.04Å; Q266-S270 PolarHBondContact O-OG 3.24Å
271A40.6Very low46Very low91 Ų91120.7 Ų120.775%0.75272%0.719SS**THydrogen-bonded Turntrans-94.18.7178.600000114.4S269S269-A271 VanDerWaalsContact C-N 3.33Å
272S40.8Very low44Very low100 Ų100121.5 Ų121.570%0.69974%0.735SS**SBendtrans-113.16.8-175.2-173.90000115.6
273V42.8Very low42.5Very low114 Ų114124.3 Ų124.369%0.69175%0.752SS**SBendtrans-138.988.8-179.4-171.60000110.6
274N33.5Very low40.6Very low163 Ų163125.7 Ų125.787%0.87276%0.761SS**  168.9123.2128.8-85.5-22.1000112
275G30.7Very low38.7Very low78 Ų78129.8 Ų129.880%0.80477%0.77SS**  trans132.795.815600000116.1
276H31.4Very low37Very low202 Ų202127 Ų12794%0.93578%0.776SS**  trans-67.8132.3162.7-11439.7000111
277A29.7Very low35.5Very low95 Ų95125.8 Ų125.879%0.78579%0.786SS**  trans-178.8117.6134.300000112.4
278N30.6Very low34.3Very low173 Ų173125.9 Ų125.993%0.92579%0.793SS**  trans23.4130152.5-69.8-12.1000122.4
279G27.9Very low33.4Very low64 Ų64134.7 Ų134.766%0.6681%0.808SS**  trans139.799.9139.800000116.5
280T26.6Very low32.5Very low151 Ų151140.1 Ų140.193%0.92682%0.82SS**  trans63.9137.7148.846.90000121.1
281A38Very low32.3Very low104 Ų104143 Ų14386%0.8683%0.827SS**  trans-67.8144.8-173.700000114.5
282S25.6Very low31.9Very low114 Ų114150.3 Ų150.380%0.79784%0.835SS**  trans-152131141.1-170.70000111
283M37.1Very low31.3Very low186 Ų186150.9 Ų150.992%0.91684%0.835SS**  trans-79.4118.2178.2-137.7168.378.400108.2
284E27.9Very low31.2Very low170 Ų170156.1 Ų156.179%0.79486%0.859SS**  trans-151100.9162.6-132.3168.9176.900115.4
285R27.3Very low31.1Very low231 Ų231155.8 Ų155.887%0.87286%0.858SS**  trans39.8101.6143.2-65.6-179.9-177.3-166.91118.9A287R285-A287 PolarHBondContact O-N 3.41Å; R285-A287 VanDerWaalsContact O-N 3.1Å
286T29.9Very low31.1Very low147 Ų147159.9 Ų159.990%0.90286%0.861SS**  trans-55.7104.4151.8-34.20000110.5
287A28.8Very low31.1Very low89 Ų89157.6 Ų157.674%0.73686%0.857SS**  trans-84.5130169.400000110.3R285R285-A287 PolarHBondContact O-N 3.41Å; R285-A287 VanDerWaalsContact O-N 3.1Å
288P32.5Very low31.2Very low123 Ų123161.2 Ų161.280%0.79986%0.861SS**  trans-76142.4179.129.8-31.6000111.7K290P288-K290 PolarHBondContact O-N 2.87Å; P288-K290 VanDerWaalsContact O-N 3.16Å
289R32.8Very low31.2Very low244 Ų244160.5 Ų160.592%0.92186%0.857SS**  trans-43.8109.3173.9-164.5176.2-172.9171.12.2111.9L291R289-L291 PolarHBondContact O-N 3.38Å; R289-L291 VanDerWaalsContact O-N 3.11Å
290K28.2Very low31.4Very low202 Ų202166.9 Ų166.988%0.87887%0.87SS**  trans-55.8112.8169.4-101.2178.4174.8178.40110.1P288 R292P288-K290 PolarHBondContact O-N 2.87Å; P288-K290 VanDerWaalsContact O-N 3.16Å; K290-R292 PolarHBondContact O-N 3.35Å
291L35.4Very low31.8Very low163 Ų163168.1 Ų168.185%0.85387%0.866SS**  trans-61.1117.5156.5-98.2126.3000107.6R289 V293R289-L291 PolarHBondContact O-N 3.38Å; R289-L291 VanDerWaalsContact O-N 3.11Å; L291-V293 PolarHBondContact O-N 2.87Å; L291-V293 VanDerWaalsContact O-N 3.11Å
292R31.6Very low31.3Very low243 Ų243173 Ų17392%0.91787%0.867SS**  trans-74.9100.3175.3-163.4-179.1-134.2140.31.3108.4K290K290-R292 PolarHBondContact O-N 3.35Å
293V30Very low31.8Very low113 Ų113177.9 Ų177.969%0.68587%0.873SS**  trans-85.5127.7156.4-175.20000106.1L291L291-V293 PolarHBondContact O-N 2.87Å; L291-V293 VanDerWaalsContact O-N 3.11Å
294D40.1Very low31.3Very low224 Ų224177.2 Ų177.2100%1.19887%0.869SS**  trans145.80153.4-68.7-19000110.7

Retrieved 294 of 294 residues in 69.6 ms (Link to these results)