A0A087YA89_POEFO Loading...

Apoptosis regulator BAX

AlphaFold DB , UniProt , Accession A0A087YA89, Species POEFO (Poecilia formosa, Amazon molly), Gene BAX, Length 191 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
1M35.4Very low52Low248 Ų248110.8 Ų110.8100%1.22274%0.738SS**  0131.70-77.2171.2174.300107
2A50.8Low54.5Low94 Ų94105.3 Ų105.378%0.77770%0.702SS**  trans-67.9154.4-170.600000112.3
3E42.8Very low57Low198 Ų19898.6 Ų98.693%0.92566%0.658SS**  165.3128.5110.8-87.5-176.9149.900110.5
4G44Very low59.4Low86 Ų8698 Ų9889%0.88765%0.645SS**  trans-17953.4-179.800000111.5
5G46.4Very low61.5Low73 Ų7398.5 Ų98.575%0.75364%0.635SS**  trans-120.736.1-174.700000114.3
6G49.8Very low63.5Low64 Ų6493.3 Ų93.366%0.6660%0.601SS**  trans-101.7-11.5-174.700000116.5
7G52.4Low65.4Low69 Ų6988.2 Ų88.271%0.71157%0.567SS**Hα-helixtrans-81.3-25.8-168.800000116
8D58.5Low66.9Low132 Ų13290.5 Ų90.571%0.70657%0.57SS**Hα-helixtrans-86.8-31.3-170.7-162.150.5000112.9S12D8-S12 PolarHBondContact O-N 3.23Å
9Q57.4Low68.3Low123 Ų12387.3 Ų87.358%0.57555%0.549SS*.Hα-helixtrans-70.1-37.1-178-72.3-175.318.200113.4S13Q9-S13 PolarHBondContact O-N 3.25Å; Q9-S13 PolarHBondContact O-OG 3.49Å
10G62.1Low69.6Low39 Ų3982.9 Ų82.940%0.40252%0.521SS..Hα-helixtrans-65.7-45.6178.100000111.8S12 S13 D14G10-S12 PolarHBondContact O-N 3.41Å; G10-S13 PolarHBondContact O-N 3.43Å; G10-D14 PolarHBondContact O-N 3.01Å
11N72.4Confident70.8Confident93 Ų9379.7 Ų79.750%0.49750%0.502SS..Hα-helixtrans-64.3-39.9-178.8-167.132.4000112.5Q15N11-Q15 VanDerWaalsContact O-CG 3.3Å; N11-Q15 WeakPolarHBondContact O-CG 3.41Å; N11-Q15 PolarHBondContact O-N 3.26Å; N11-Q15 VanDerWaalsContact O-N 3.15Å
12S82.4Confident73.6Confident44 Ų4469.9 Ų69.931%0.30846%0.456SS..Hα-helixtrans-68-42.5177.6179.90000112.6D8 G10 Q15 I16D8-S12 PolarHBondContact O-N 3.23Å; G10-S12 PolarHBondContact O-N 3.41Å; S12-Q15 PolarHBondContact O-N 3.43Å; S12-I16 VanDerWaalsContact O-CG1 3.31Å; S12-I16 WeakPolarHBondContact O-CG1 3.46Å; S12-I16 PolarHBondContact O-N 3.38Å; S12-I16 VanDerWaalsContact O-N 3.1Å
13S87.3Confident75.7Confident19 Ų1965.4 Ų65.413%0.13342%0.42CS..Hα-helixtrans-65.7-39.9177.4-74.80000112Q9 G10 I16 V17Q9-S13 PolarHBondContact O-N 3.25Å; Q9-S13 PolarHBondContact O-OG 3.49Å; G10-S13 PolarHBondContact O-N 3.43Å; S13-I16 PolarHBondContact O-N 3.13Å; S13-V17 WeakPolarHBondContact O-CG2 3.47Å; S13-V17 PolarHBondContact O-N 2.98Å
14D90.1Very high78.2Confident90 Ų9056 Ų5648%0.48138%0.376SS..Hα-helixtrans-63.1-42177-73.2-27.8000112G10 I16 V17 E18G10-D14 PolarHBondContact O-N 3.01Å; D14-I16 PolarHBondContact O-N 3.36Å; D14-V17 PolarHBondContact O-N 2.96Å; D14-E18 WeakPolarHBondContact O-CB 3.34Å; D14-E18 PolarHBondContact O-N 2.87Å
15Q91.4Very high80.7Confident105 Ų10554.4 Ų54.449%0.49134%0.344SS..Hα-helixtrans-61.2-42.8173.9-72.9174.49.100112.3N11 S12 V17 E18 V19N11-Q15 VanDerWaalsContact O-CG 3.3Å; N11-Q15 WeakPolarHBondContact O-CG 3.41Å; N11-Q15 PolarHBondContact O-N 3.26Å; N11-Q15 VanDerWaalsContact O-N 3.15Å; S12-Q15 PolarHBondContact O-N 3.43Å; Q15-V17 VanDerWaalsContact C-N 3.34Å; Q15-V17 PolarHBondContact O-N 3.15Å; Q15-E18 PolarHBondContact O-N 3.49Å; Q15-V19 WeakPolarHBondContact O-CG2 3.3Å; Q15-V19 PolarHBondContact O-N 2.85Å
16I93.6Very high82.9Confident16 Ų1651.6 Ų51.68%0.08231%0.312CS..Hα-helixtrans-64.5-41.2177.7-65.1167.5000110.4S12 S13 D14 E18 V19 G20 I150 I153 R154 W159S12-I16 VanDerWaalsContact O-CG1 3.31Å; S12-I16 WeakPolarHBondContact O-CG1 3.46Å; S12-I16 PolarHBondContact O-N 3.38Å; S12-I16 VanDerWaalsContact O-N 3.1Å; S13-I16 PolarHBondContact O-N 3.13Å; D14-I16 PolarHBondContact O-N 3.36Å; I16-E18 VanDerWaalsContact C-N 3.33Å; I16-V19 PolarHBondContact O-N 3.1Å; I16-G20 PolarHBondContact O-N 3.43Å; I16-I150 HydrophobicContact CB-CD1 3.69Å; I16-I150 HydrophobicContact CG2-CD1 3.3Å; I16-I150 HydrophobicContact CG2-CG1 4.45Å; I16-I153 HydrophobicContact CG2-CB 4.09Å; I16-I153 HydrophobicContact CG2-CG2 3.39Å; I16-R154 HydrophobicContact CD1-CB 3.72Å; I16-R154 HydrophobicContact CD1-CG 4.02Å; I16-W159 PolarHBondContact O-NE1 2.92Å
17V94.8Very high85Confident6 Ų648.5 Ų48.54%0.03628%0.28CS..Hα-helixtrans-62.9-42.3175.7174.80000110.8S13 D14 Q15 G20 A21 I142 R146 I150S13-V17 WeakPolarHBondContact O-CG2 3.47Å; S13-V17 PolarHBondContact O-N 2.98Å; D14-V17 PolarHBondContact O-N 2.96Å; Q15-V17 VanDerWaalsContact C-N 3.34Å; Q15-V17 PolarHBondContact O-N 3.15Å; V17-G20 PolarHBondContact O-N 3.44Å; V17-A21 PolarHBondContact O-N 3.29Å; V17-I142 HydrophobicContact CG1-CG2 3.43Å; V17-I142 VanDerWaalsContact CG1-CG2 3.43Å; V17-R146 HydrophobicContact CG2-CB 4.04Å; V17-R146 HydrophobicContact CG2-CG 4.25Å; V17-I150 HydrophobicContact CB-CD1 4.47Å; V17-I150 HydrophobicContact CG2-CD1 3.44Å; V17-I150 VanDerWaalsContact CG2-CD1 3.44Å; V17-I150 HydrophobicContact CG2-CG1 3.89Å
18E93Very high87Confident130 Ų13045.2 Ų45.261%0.60725%0.247SC*.Hα-helixtrans-61.6-47178.7-174.9173.4-165.900112D14 Q15 I16 G20 A21 V22D14-E18 WeakPolarHBondContact O-CB 3.34Å; D14-E18 PolarHBondContact O-N 2.87Å; Q15-E18 PolarHBondContact O-N 3.49Å; I16-E18 VanDerWaalsContact C-N 3.33Å; E18-G20 VanDerWaalsContact C-N 3.29Å; E18-G20 PolarHBondContact O-N 2.97Å; E18-A21 WeakPolarHBondContact O-CB 3.04Å; E18-A21 PolarHBondContact O-N 3.13Å; E18-A21 VanDerWaalsContact O-N 3.16Å; E18-V22 WeakPolarHBondContact O-CG2 3.34Å; E18-V22 PolarHBondContact O-N 3.11Å
19V93.3Very high88.6Confident29 Ų2940.3 Ų40.318%0.17622%0.219CC..Hα-helixtrans-59.3-43174174.40000110.6Q15 I16 A21 V22 L23 W159Q15-V19 WeakPolarHBondContact O-CG2 3.3Å; Q15-V19 PolarHBondContact O-N 2.85Å; I16-V19 PolarHBondContact O-N 3.1Å; V19-A21 VanDerWaalsContact C-N 3.33Å; V19-A21 PolarHBondContact O-N 3.46Å; V19-V22 PolarHBondContact O-N 3.23Å; V19-L23 HydrophobicContact CG1-CD1 3.87Å; V19-L23 HydrophobicContact CG1-CG 4.23Å; V19-L23 WeakPolarHBondContact O-CB 3.31Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.49Å; V19-L23 PolarHBondContact O-N 3.32Å; V19-W159 HydrophobicContact CB-CG 4.47Å; V19-W159 HydrophobicContact CG1-CB 4.11Å; V19-W159 HydrophobicContact CG1-CG 3.77Å
20G94.8Very high90.2Very high0 Ų036 Ų360%020%0.199CC..Hα-helixtrans-59.1-41.9175.800000113.1I16 V17 E18 L23 L24I16-G20 PolarHBondContact O-N 3.43Å; V17-G20 PolarHBondContact O-N 3.44Å; E18-G20 VanDerWaalsContact C-N 3.29Å; E18-G20 PolarHBondContact O-N 2.97Å; G20-L23 PolarHBondContact O-N 2.96Å; G20-L24 VanDerWaalsContact O-CB 3.3Å; G20-L24 WeakPolarHBondContact O-CB 3.41Å; G20-L24 PolarHBondContact O-N 3.36Å
21A94.9Very high91.5Very high15 Ų1534.1 Ų34.112%0.12418%0.18CC..Hα-helixtrans-65-43.5176.700000112.2V17 E18 V19 K25 I142V17-A21 PolarHBondContact O-N 3.29Å; E18-A21 WeakPolarHBondContact O-CB 3.04Å; E18-A21 PolarHBondContact O-N 3.13Å; E18-A21 VanDerWaalsContact O-N 3.16Å; V19-A21 VanDerWaalsContact C-N 3.33Å; V19-A21 PolarHBondContact O-N 3.46Å; A21-K25 WeakPolarHBondContact O-CB 3.39Å; A21-K25 WeakPolarHBondContact O-CD 3.37Å; A21-K25 WeakPolarHBondContact O-CG 3.44Å; A21-K25 PolarHBondContact O-N 3.31Å; A21-I142 HydrophobicContact CB-CD1 3.83Å; A21-I142 HydrophobicContact CB-CG1 4Å
22V94Very high92.2Very high42 Ų4230 Ų3026%0.25516%0.157SC..Hα-helixtrans-62.7-47177.2166.60000111E18 V19 K25 D26 L52E18-V22 WeakPolarHBondContact O-CG2 3.34Å; E18-V22 PolarHBondContact O-N 3.11Å; V19-V22 PolarHBondContact O-N 3.23Å; V22-K25 PolarHBondContact O-N 3.13Å; V22-D26 PolarHBondContact O-N 3.27Å; V22-L52 HydrophobicContact CG1-CD2 3.13Å
23L94.8Very high92.4Very high1 Ų135 Ų351%0.00517%0.169CC..Hα-helixtrans-63.2-44.5177.2-70.4174.3000112.4V19 G20 K25 D26 F27 L60 A61 L64 F115 W159V19-L23 HydrophobicContact CG1-CD1 3.87Å; V19-L23 HydrophobicContact CG1-CG 4.23Å; V19-L23 WeakPolarHBondContact O-CB 3.31Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.49Å; V19-L23 PolarHBondContact O-N 3.32Å; G20-L23 PolarHBondContact O-N 2.96Å; L23-K25 PolarHBondContact O-N 2.88Å; L23-D26 PolarHBondContact O-N 3.47Å; L23-F27 WeakPolarHBondContact O-CB 3.33Å; L23-F27 PolarHBondContact O-N 3.05Å; L23-L60 HydrophobicContact CD1-CB 4.37Å; L23-L60 HydrophobicContact CD1-CD1 4.27Å; L23-L60 HydrophobicContact CD2-CB 3.93Å; L23-A61 HydrophobicContact CD2-CB 4.15Å; L23-L64 HydrophobicContact CB-CD1 4.01Å; L23-L64 HydrophobicContact CD1-CD1 4.44Å; L23-L64 HydrophobicContact CD2-CD1 4.4Å; L23-F115 HydrophobicContact CB-CE2 4.22Å; L23-W159 HydrophobicContact CD1-CB 4.38Å; L23-W159 HydrophobicContact CD1-CD2 3.93Å; L23-W159 HydrophobicContact CD1-CE3 3.86Å; L23-W159 HydrophobicContact CD1-CG 4.16Å; L23-W159 HydrophobicContact CD1-CZ3 4.47Å
24L95.9Very high92.2Very high0 Ų039.8 Ų39.80%018%0.184CC..Hα-helixtrans-61-45.9178.6176.962.1000111.5G20 F27 I28 F115 A118 I138 T141 I142G20-L24 VanDerWaalsContact O-CB 3.3Å; G20-L24 WeakPolarHBondContact O-CB 3.41Å; G20-L24 PolarHBondContact O-N 3.36Å; L24-F27 WeakPolarHBondContact O-CB 3.49Å; L24-F27 PolarHBondContact O-N 3Å; L24-I28 HydrophobicContact CD1-CD1 3.76Å; L24-I28 HydrophobicContact CD1-CG1 4.16Å; L24-I28 HydrophobicContact CG-CD1 3.82Å; L24-I28 WeakPolarHBondContact O-CB 3.41Å; L24-I28 WeakPolarHBondContact O-CG1 3.37Å; L24-I28 PolarHBondContact O-N 3.33Å; L24-F115 HydrophobicContact CB-CD2 4.14Å; L24-F115 HydrophobicContact CB-CE2 3.78Å; L24-F115 HydrophobicContact CB-CZ 4.01Å; L24-F115 HydrophobicContact CD1-CB 4.09Å; L24-F115 HydrophobicContact CD1-CD1 4.2Å; L24-F115 HydrophobicContact CD1-CD2 3.94Å; L24-F115 HydrophobicContact CD1-CE2 4.4Å; L24-F115 HydrophobicContact CD1-CG 3.82Å; L24-A118 HydrophobicContact CD1-CB 4.35Å; L24-I138 HydrophobicContact CD2-CG2 4.19Å; L24-T141 HydrophobicContact CD1-CG2 4.45Å; L24-T141 HydrophobicContact CD2-CG2 3.59Å; L24-I142 HydrophobicContact CD2-CD1 3.84Å; L24-I142 HydrophobicContact CD2-CG1 4.37Å
25K94.8Very high91.5Very high53 Ų5340.7 Ų40.723%0.2319%0.186CC..Hα-helixtrans-64.9-44.6-179.1-73.9167.9176.1-1780112A21 V22 L23 F27 I28 F29 G48 A49 I138A21-K25 WeakPolarHBondContact O-CB 3.39Å; A21-K25 WeakPolarHBondContact O-CD 3.37Å; A21-K25 WeakPolarHBondContact O-CG 3.44Å; A21-K25 PolarHBondContact O-N 3.31Å; V22-K25 PolarHBondContact O-N 3.13Å; L23-K25 PolarHBondContact O-N 2.88Å; K25-F27 VanDerWaalsContact C-N 3.32Å; K25-I28 PolarHBondContact O-N 2.93Å; K25-F29 WeakPolarHBondContact O-CB 3.39Å; K25-F29 PolarHBondContact O-N 2.97Å; K25-G48 VanDerWaalsContact CD-O 3.29Å; K25-G48 WeakPolarHBondContact CD-O 3.49Å; K25-G48 WeakPolarHBondContact CE-O 3.41Å; K25-G48 PolarHBondContact NZ-O 3.27Å; K25-A49 HydrophobicContact CB-CB 3.79Å; K25-I138 HydrophobicContact CG-CD1 4.32Å; K25-I138 HydrophobicContact CG-CG2 4.25Å
26D93.9Very high90.6Very high13 Ų1337.2 Ų37.27%0.0717%0.171CC..Hα-helixtrans-64.1-41175-170.177.3000111.1V22 L23 I28 F29 E30 R44 L52V22-D26 PolarHBondContact O-N 3.27Å; L23-D26 PolarHBondContact O-N 3.47Å; D26-I28 PolarHBondContact O-N 3.48Å; D26-F29 PolarHBondContact O-N 3.3Å; D26-E30 PolarHBondContact O-N 3.48Å; D26-R44 IonicContact OD1-CZ 2.63Å; D26-R44 IonicContact OD1-NH1 2.81Å; D26-R44 PolarHBondContact OD1-NH1 3.2Å; D26-R44 IonicContact OD1-NH2 2.9Å; D26-R44 PolarHBondContact OD1-NH2 2.78Å; D26-L52 HydrophobicContact CB-CD1 3.87Å; D26-L52 HydrophobicContact CB-CD2 4.41Å; D26-L52 HydrophobicContact CB-CG 4.09Å; D26-L52 VanDerWaalsContact CG-CD1 3.42Å; D26-L52 WeakPolarHBondContact OD2-CD1 3.46Å
27F93.6Very high89.1Confident0 Ų043.3 Ų43.30%020%0.204CC..Hα-helixtrans-58.2-48.8177.2179.1-102.8000112.4L23 L24 K25 R31 L64 Q65 Y116 C119L23-F27 WeakPolarHBondContact O-CB 3.33Å; L23-F27 PolarHBondContact O-N 3.05Å; L24-F27 WeakPolarHBondContact O-CB 3.49Å; L24-F27 PolarHBondContact O-N 3Å; K25-F27 VanDerWaalsContact C-N 3.32Å; F27-R31 VanDerWaalsContact CE2-NE 3.34Å; F27-R31 WeakPolarHBondContact O-CB 3.43Å; F27-R31 WeakPolarHBondContact O-CG 3.48Å; F27-R31 PolarHBondContact O-N 3.49Å; F27-L64 HydrophobicContact CD2-CB 3.83Å; F27-L64 HydrophobicContact CE2-CB 4.22Å; F27-L64 VanDerWaalsContact CE2-O 3.26Å; F27-L64 WeakPolarHBondContact CE2-O 3.38Å; F27-Q65 VanDerWaalsContact CA-NE2 3.3Å; F27-Q65 PolarHBondContact O-NE2 3.34Å; F27-Y116 HydrophobicContact CZ-CD2 4.26Å; F27-C119 HydrophobicContact CD1-CB 4.05Å; F27-C119 HydrophobicContact CE1-CB 3.76Å
28I93.8Very high87.2Confident0 Ų048.1 Ų48.10%024%0.238CC..Hα-helixtrans-63.1-47.4176.9-68.8169.1000111L24 K25 D26 R31 I32 L47 C119 V122 I138L24-I28 HydrophobicContact CD1-CD1 3.76Å; L24-I28 HydrophobicContact CD1-CG1 4.16Å; L24-I28 HydrophobicContact CG-CD1 3.82Å; L24-I28 WeakPolarHBondContact O-CB 3.41Å; L24-I28 WeakPolarHBondContact O-CG1 3.37Å; L24-I28 PolarHBondContact O-N 3.33Å; K25-I28 PolarHBondContact O-N 2.93Å; D26-I28 PolarHBondContact O-N 3.48Å; I28-R31 PolarHBondContact O-N 3.2Å; I28-I32 HydrophobicContact CG2-CD1 3.54Å; I28-I32 HydrophobicContact CG2-CG1 4.34Å; I28-I32 VanDerWaalsContact O-CG1 3.32Å; I28-I32 WeakPolarHBondContact O-CG1 3.25Å; I28-I32 PolarHBondContact O-N 2.96Å; I28-L47 HydrophobicContact CG2-CD1 4.18Å; I28-L47 HydrophobicContact CG2-CD2 3.9Å; I28-C119 HydrophobicContact CG1-CB 3.81Å; I28-V122 HydrophobicContact CD1-CG2 4.23Å; I28-V122 HydrophobicContact CG2-CB 4.22Å; I28-V122 HydrophobicContact CG2-CG1 3.72Å; I28-I138 HydrophobicContact CD1-CD1 4.33Å; I28-I138 HydrophobicContact CD1-CG1 3.88Å
29F92.2Very high85.4Confident29 Ų2950 Ų5013%0.12725%0.252CS..Hα-helixtrans-58.4-52.5-177.9175.3-100.1000111.9K25 D26 R31 I32 R33 V42 R44 L47K25-F29 WeakPolarHBondContact O-CB 3.39Å; K25-F29 PolarHBondContact O-N 2.97Å; D26-F29 PolarHBondContact O-N 3.3Å; F29-R31 VanDerWaalsContact C-N 3.26Å; F29-R31 PolarHBondContact O-N 3.36Å; F29-I32 PolarHBondContact O-N 3.02Å; F29-R33 WeakPolarHBondContact O-CB 3.5Å; F29-R33 PolarHBondContact O-N 2.89Å; F29-V42 WeakPolarHBondContact CE2-O 3.34Å; F29-R44 HydrophobicContact CD1-CG 4.06Å; F29-R44 HydrophobicContact CD2-CG 3.68Å; F29-R44 HydrophobicContact CE1-CG 3.95Å; F29-R44 HydrophobicContact CE2-CB 4.45Å; F29-R44 HydrophobicContact CE2-CG 3.54Å; F29-R44 HydrophobicContact CG-CG 3.93Å; F29-R44 HydrophobicContact CZ-CG 3.68Å; F29-L47 HydrophobicContact CB-CD1 3.63Å; F29-L47 HydrophobicContact CD2-CD1 3.93Å; F29-L47 HydrophobicContact CG-CD1 4.28Å
30E90.5Very high83.8Confident31 Ų3150.5 Ų50.515%0.14526%0.26CS..Hα-helixtrans-63.5-34-178.9-75.6-58.8134.800112.1D26 R33 R34 R44D26-E30 PolarHBondContact O-N 3.48Å; E30-R33 PolarHBondContact O-N 3.16Å; E30-R33 IonicContact OE1-NE 2.94Å; E30-R33 IonicContact OE2-CZ 3.38Å; E30-R33 IonicContact OE2-NE 3.07Å; E30-R33 PolarHBondContact OE2-NE 2.87Å; E30-R33 IonicContact OE2-NH2 2.79Å; E30-R33 PolarHBondContact OE2-NH2 2.96Å; E30-R34 WeakPolarHBondContact O-CB 3.48Å; E30-R34 WeakPolarHBondContact O-CG 3.39Å; E30-R34 PolarHBondContact O-N 3.03Å; E30-R34 VanDerWaalsContact O-N 3.07Å; E30-R44 IonicContact OE1-NH2 3.33Å
31R89.4Confident82.4Confident1 Ų157 Ų570%0.00429%0.293CS..Hα-helixtrans-70.5-43.5177-77-175.6152.5-83-31.8113F27 I28 F29 R33 R34 H35 G68 D69 D72F27-R31 VanDerWaalsContact CE2-NE 3.34Å; F27-R31 WeakPolarHBondContact O-CB 3.43Å; F27-R31 WeakPolarHBondContact O-CG 3.48Å; F27-R31 PolarHBondContact O-N 3.49Å; I28-R31 PolarHBondContact O-N 3.2Å; F29-R31 VanDerWaalsContact C-N 3.26Å; F29-R31 PolarHBondContact O-N 3.36Å; R31-R33 VanDerWaalsContact C-N 3.29Å; R31-R33 PolarHBondContact O-N 2.95Å; R31-R34 PolarHBondContact O-N 3.21Å; R31-H35 WeakPolarHBondContact O-CB 3.46Å; R31-H35 PolarHBondContact O-CD2 2.8Å; R31-H35 VanDerWaalsContact O-CD2 3.29Å; R31-H35 PolarHBondContact O-N 3.41Å; R31-G68 VanDerWaalsContact CZ-C 3.47Å; R31-G68 VanDerWaalsContact CZ-CA 3.49Å; R31-G68 PolarHBondContact NH2-O 3.29Å; R31-D69 IonicContact NH2-OD1 3.69Å; R31-D69 PolarHBondContact NH2-OD1 3.34Å; R31-D72 IonicContact CZ-OD1 3.89Å; R31-D72 IonicContact CZ-OD2 3.17Å; R31-D72 IonicContact NH1-OD1 3.51Å; R31-D72 PolarHBondContact NH1-OD1 3.13Å; R31-D72 IonicContact NH1-OD2 2.86Å; R31-D72 PolarHBondContact NH1-OD2 2.9Å; R31-D72 IonicContact NH2-OD2 2.78Å; R31-D72 PolarHBondContact NH2-OD2 3.3Å
32I88.6Confident81.6Confident5 Ų557.2 Ų57.23%0.02629%0.293CS..Hα-helixtrans-58.5-47.6173.6-67161.3000109.4I28 F29 R34 H35 V36 V42 L47 V122 I123 L126I28-I32 HydrophobicContact CG2-CD1 3.54Å; I28-I32 HydrophobicContact CG2-CG1 4.34Å; I28-I32 VanDerWaalsContact O-CG1 3.32Å; I28-I32 WeakPolarHBondContact O-CG1 3.25Å; I28-I32 PolarHBondContact O-N 2.96Å; F29-I32 PolarHBondContact O-N 3.02Å; I32-R34 PolarHBondContact O-N 3.4Å; I32-H35 PolarHBondContact O-N 2.91Å; I32-V36 HydrophobicContact CB-CG2 4.39Å; I32-V36 HydrophobicContact CG2-CB 4.04Å; I32-V36 HydrophobicContact CG2-CG2 3.96Å; I32-V36 WeakPolarHBondContact O-CB 3.39Å; I32-V36 PolarHBondContact O-N 3.5Å; I32-V42 HydrophobicContact CD1-CG1 4.33Å; I32-V42 HydrophobicContact CD1-CG2 4.5Å; I32-V42 HydrophobicContact CG2-CB 4.02Å; I32-V42 HydrophobicContact CG2-CG2 3.88Å; I32-L47 HydrophobicContact CD1-CD1 4.27Å; I32-L47 HydrophobicContact CD1-CD2 4.4Å; I32-V122 HydrophobicContact CD1-CG1 3.97Å; I32-I123 HydrophobicContact CG1-CG1 3.91Å; I32-L126 HydrophobicContact CD1-CD1 3.65Å; I32-L126 HydrophobicContact CG1-CD1 3.93Å; I32-L126 HydrophobicContact CG2-CD1 4.11Å
33R86.1Confident81Confident150 Ų15057.7 Ų57.757%0.56630%0.296SS*.Hα-helixtrans-59.2-32.5-179.9-167.6-175.569.877.1-0.7113.4F29 E30 R31F29-R33 WeakPolarHBondContact O-CB 3.5Å; F29-R33 PolarHBondContact O-N 2.89Å; E30-R33 PolarHBondContact O-N 3.16Å; E30-R33 IonicContact OE1-NE 2.94Å; E30-R33 IonicContact OE2-CZ 3.38Å; E30-R33 IonicContact OE2-NE 3.07Å; E30-R33 PolarHBondContact OE2-NE 2.87Å; E30-R33 IonicContact OE2-NH2 2.79Å; E30-R33 PolarHBondContact OE2-NH2 2.96Å; R31-R33 VanDerWaalsContact C-N 3.29Å; R31-R33 PolarHBondContact O-N 2.95Å
34R82.6Confident80.5Confident119 Ų11959.7 Ų59.745%0.44930%0.303SS..Hα-helixtrans-86.4-32.5-179.3-71.7173.8-167.8-1653.2114E30 R31 I32 D69E30-R34 WeakPolarHBondContact O-CB 3.48Å; E30-R34 WeakPolarHBondContact O-CG 3.39Å; E30-R34 PolarHBondContact O-N 3.03Å; E30-R34 VanDerWaalsContact O-N 3.07Å; R31-R34 PolarHBondContact O-N 3.21Å; I32-R34 PolarHBondContact O-N 3.4Å; R34-D69 IonicContact NH1-OD1 3.95Å; R34-D69 IonicContact NH1-OD2 3.62Å
35H75.1Confident79.8Confident109 Ų10965.9 Ų65.951%0.50533%0.332SS..Hα-helixtrans-117.9-14.5-166.7-64.4-75.5000115.2R31 I32 D72R31-H35 WeakPolarHBondContact O-CB 3.46Å; R31-H35 PolarHBondContact O-CD2 2.8Å; R31-H35 VanDerWaalsContact O-CD2 3.29Å; R31-H35 PolarHBondContact O-N 3.41Å; I32-H35 PolarHBondContact O-N 2.91Å; H35-D72 IonicContact CE1-OD2 3.72Å; H35-D72 IonicContact NE2-OD2 3.45Å; H35-D72 PolarHBondContact NE2-OD2 3.26Å
36V72.1Confident79Confident32 Ų3268.4 Ų68.419%0.19435%0.345CS..SBendtrans-102.7124.4178.2-172.90000108.4I32 A40 I123I32-V36 HydrophobicContact CB-CG2 4.39Å; I32-V36 HydrophobicContact CG2-CB 4.04Å; I32-V36 HydrophobicContact CG2-CG2 3.96Å; I32-V36 WeakPolarHBondContact O-CB 3.39Å; I32-V36 PolarHBondContact O-N 3.5Å; V36-A40 HydrophobicContact CG1-CB 3.68Å; V36-I123 HydrophobicContact CG2-CG1 4.46Å; V36-I123 HydrophobicContact CG2-CG2 4.1Å
37D62.2Low78.4Confident145 Ų14567.9 Ų67.978%0.77534%0.342SS*.  trans-48.6146.8-179.6-95.8-39.3000112.8N39 A40D37-N39 PolarHBondContact O-N 3.2Å; D37-A40 PolarHBondContact O-N 3.1Å
38S55.7Low77.9Confident107 Ų10768.9 Ų68.975%0.74835%0.353SS*.THydrogen-bonded Turntrans-49.4-11.5-175-66.10000117I41S38-I41 WeakPolarHBondContact O-CG1 3.48Å
39N54.5Low77.4Confident168 Ų16869.3 Ų69.390%0.89836%0.356SS*.THydrogen-bonded Turntrans-80.6-17.9177.4-79.9-6.1000114.1D37D37-N39 PolarHBondContact O-N 3.2Å
40A60.4Low76.9Confident41 Ų4175.3 Ų75.334%0.33939%0.385SS..SBendtrans-103.474.6173.700000109.8V36 D37 V42V36-A40 HydrophobicContact CG1-CB 3.68Å; D37-A40 PolarHBondContact O-N 3.1Å; A40-V42 PolarHBondContact O-N 3.11Å
41I64.9Low76.5Confident137 Ų13780.7 Ų80.770%0.70341%0.41SS*.  trans-70.598.8175.7-57175000108S38 T43S38-I41 WeakPolarHBondContact O-CG1 3.48Å; I41-T43 HydrophobicContact CG2-CG2 4.48Å
42V77.8Confident76.3Confident18 Ų1881.1 Ų81.111%0.10941%0.412CS..  trans-91.2121.4168.6178.70000108.6F29 I32 A40 Q46 L47 L126F29-V42 WeakPolarHBondContact CE2-O 3.34Å; I32-V42 HydrophobicContact CD1-CG1 4.33Å; I32-V42 HydrophobicContact CD1-CG2 4.5Å; I32-V42 HydrophobicContact CG2-CB 4.02Å; I32-V42 HydrophobicContact CG2-CG2 3.88Å; A40-V42 PolarHBondContact O-N 3.11Å; V42-Q46 VanDerWaalsContact CA-OE1 3.31Å; V42-Q46 HydrophobicContact CG1-CB 4.42Å; V42-L47 HydrophobicContact CG1-CD1 3.83Å; V42-L47 HydrophobicContact CG1-CD2 4.2Å; V42-L47 HydrophobicContact CG1-CG 3.71Å; V42-L126 HydrophobicContact CG2-CD1 3.71Å; V42-L126 HydrophobicContact CG2-CD2 3.58Å; V42-L126 HydrophobicContact CG2-CG 4.31Å
43T82.7Confident76Confident52 Ų5286 Ų8632%0.31945%0.445SS..  trans-87.7158176.483.50000111.1I41 E45 Q46 L47I41-T43 HydrophobicContact CG2-CG2 4.48Å; T43-E45 WeakPolarHBondContact CB-OE2 3.3Å; T43-E45 PolarHBondContact O-N 3.29Å; T43-E45 PolarHBondContact OG1-N 2.84Å; T43-E45 PolarHBondContact OG1-OE2 3.14Å; T43-Q46 PolarHBondContact O-N 2.84Å; T43-Q46 PolarHBondContact OG1-N 2.96Å; T43-L47 PolarHBondContact O-N 3.4Å
44R83.1Confident76Confident44 Ų4481.8 Ų81.817%0.16643%0.434CS..Hα-helixtrans-58.2-37.2175.3-76.1-168.8174.5-107.8-7.4110.6D26 F29 E30 Q46 L47 G48 A49 Q50D26-R44 IonicContact OD1-CZ 2.63Å; D26-R44 IonicContact OD1-NH1 2.81Å; D26-R44 PolarHBondContact OD1-NH1 3.2Å; D26-R44 IonicContact OD1-NH2 2.9Å; D26-R44 PolarHBondContact OD1-NH2 2.78Å; F29-R44 HydrophobicContact CD1-CG 4.06Å; F29-R44 HydrophobicContact CD2-CG 3.68Å; F29-R44 HydrophobicContact CE1-CG 3.95Å; F29-R44 HydrophobicContact CE2-CB 4.45Å; F29-R44 HydrophobicContact CE2-CG 3.54Å; F29-R44 HydrophobicContact CG-CG 3.93Å; F29-R44 HydrophobicContact CZ-CG 3.68Å; E30-R44 IonicContact OE1-NH2 3.33Å; R44-Q46 VanDerWaalsContact C-N 3.34Å; R44-Q46 PolarHBondContact O-N 3.27Å; R44-L47 CarbonylContact O-C 3.55Å; R44-L47 PolarHBondContact O-N 2.9Å; R44-G48 PolarHBondContact O-N 3.01Å; R44-A49 HydrophobicContact CB-CB 4Å; R44-A49 HydrophobicContact CG-CB 4.23Å; R44-A49 WeakPolarHBondContact O-CB 3.31Å; R44-A49 PolarHBondContact O-N 2.93Å; R44-Q50 PolarHBondContact NH1-O 2.99Å
45E80.9Confident76.3Confident130 Ų13080.2 Ų80.261%0.60744%0.439SS*.Hα-helixtrans-62.6-39.7179.9-58.669-14400111.7T43 L47 G48 R135T43-E45 WeakPolarHBondContact CB-OE2 3.3Å; T43-E45 PolarHBondContact O-N 3.29Å; T43-E45 PolarHBondContact OG1-N 2.84Å; T43-E45 PolarHBondContact OG1-OE2 3.14Å; E45-L47 VanDerWaalsContact C-N 3.28Å; E45-L47 PolarHBondContact O-N 3.16Å; E45-G48 PolarHBondContact O-N 3.29Å; E45-R135 PolarHBondContact O-NH2 3Å
46Q78.6Confident76.9Confident105 Ų10578.2 Ų78.249%0.49143%0.432SS..Hα-helixtrans-62.9-35.7177.6-73175.7-33.100112.3V42 T43 R44 G48 R135V42-Q46 VanDerWaalsContact CA-OE1 3.31Å; V42-Q46 HydrophobicContact CG1-CB 4.42Å; T43-Q46 PolarHBondContact O-N 2.84Å; T43-Q46 PolarHBondContact OG1-N 2.96Å; R44-Q46 VanDerWaalsContact C-N 3.34Å; R44-Q46 PolarHBondContact O-N 3.27Å; Q46-G48 VanDerWaalsContact C-N 3.29Å; Q46-R135 PolarHBondContact O-NE 3.35Å; Q46-R135 PolarHBondContact O-NH2 3.49Å
47L81.9Confident77.7Confident2 Ų279.1 Ų79.11%0.0143%0.434CS..Hα-helixtrans-80.1-10.5172.9-65.5170.2000113I28 F29 I32 V42 T43 R44 E45 A49 V122 I134 I138I28-L47 HydrophobicContact CG2-CD1 4.18Å; I28-L47 HydrophobicContact CG2-CD2 3.9Å; F29-L47 HydrophobicContact CB-CD1 3.63Å; F29-L47 HydrophobicContact CD2-CD1 3.93Å; F29-L47 HydrophobicContact CG-CD1 4.28Å; I32-L47 HydrophobicContact CD1-CD1 4.27Å; I32-L47 HydrophobicContact CD1-CD2 4.4Å; V42-L47 HydrophobicContact CG1-CD1 3.83Å; V42-L47 HydrophobicContact CG1-CD2 4.2Å; V42-L47 HydrophobicContact CG1-CG 3.71Å; T43-L47 PolarHBondContact O-N 3.4Å; R44-L47 CarbonylContact O-C 3.55Å; R44-L47 PolarHBondContact O-N 2.9Å; E45-L47 VanDerWaalsContact C-N 3.28Å; E45-L47 PolarHBondContact O-N 3.16Å; L47-A49 HydrophobicContact CB-CB 4.13Å; L47-A49 PolarHBondContact O-N 3.07Å; L47-V122 HydrophobicContact CD2-CG1 4.44Å; L47-I134 HydrophobicContact CD2-CG2 3.43Å; L47-I134 VanDerWaalsContact CD2-CG2 3.43Å; L47-I138 HydrophobicContact CD2-CD1 4.2Å
48G82.6Confident79.1Confident22 Ų2276.5 Ų76.523%0.22742%0.416CS..THydrogen-bonded Turntrans62.725.4-167.400000112.6K25 R44 E45 Q46K25-G48 VanDerWaalsContact CD-O 3.29Å; K25-G48 WeakPolarHBondContact CD-O 3.49Å; K25-G48 WeakPolarHBondContact CE-O 3.41Å; K25-G48 PolarHBondContact NZ-O 3.27Å; R44-G48 PolarHBondContact O-N 3.01Å; E45-G48 PolarHBondContact O-N 3.29Å; Q46-G48 VanDerWaalsContact C-N 3.29Å
49A83.1Confident80.7Confident9 Ų976.2 Ų76.27%0.07440%0.401CS..  trans-79.5150.5175.400000110.3K25 R44 L47K25-A49 HydrophobicContact CB-CB 3.79Å; R44-A49 HydrophobicContact CB-CB 4Å; R44-A49 HydrophobicContact CG-CB 4.23Å; R44-A49 WeakPolarHBondContact O-CB 3.31Å; R44-A49 PolarHBondContact O-N 2.93Å; L47-A49 HydrophobicContact CB-CB 4.13Å; L47-A49 PolarHBondContact O-N 3.07Å
50Q83Confident82.4Confident155 Ų15568.3 Ų68.372%0.72436%0.359SS*.  trans-118.3160.7169-66.6179-1.100108.3R44R44-Q50 PolarHBondContact NH1-O 2.99Å
51E80.7Confident83.9Confident143 Ų14366.6 Ų66.667%0.66835%0.345SS*.  trans-67134.8171.3-168.7173.5-171.900109.8C53E51-C53 PolarHBondContact O-N 2.9Å
52L84.9Confident85Confident11 Ų1165.9 Ų65.96%0.05834%0.338CS..  trans-69.3117.4173.7-63.9179.2000108.6V22 D26 H57 K58 A61V22-L52 HydrophobicContact CG1-CD2 3.13Å; D26-L52 HydrophobicContact CB-CD1 3.87Å; D26-L52 HydrophobicContact CB-CD2 4.41Å; D26-L52 HydrophobicContact CB-CG 4.09Å; D26-L52 VanDerWaalsContact CG-CD1 3.42Å; D26-L52 WeakPolarHBondContact OD2-CD1 3.46Å; L52-H57 HydrophobicContact CD2-CB 4.29Å; L52-K58 HydrophobicContact CB-CG 3.91Å; L52-K58 WeakPolarHBondContact O-CE 3.29Å; L52-K58 PolarHBondContact O-NZ 3.25Å; L52-A61 HydrophobicContact CD1-CB 3.48Å; L52-A61 VanDerWaalsContact CD1-CB 3.48Å
53C82.1Confident85.5Confident106 Ų10666.2 Ų66.272%0.71634%0.341SS*.  trans-96.1-33.1174.7-60.90000112.3E51E51-C53 PolarHBondContact O-N 2.9Å
54D88Confident85.8Confident62 Ų6263.8 Ų63.833%0.33233%0.327SS..  trans-71.2125.5-177.1-175.1-68.8000111.7N56 H57 K58D54-N56 VanDerWaalsContact C-N 3.31Å; D54-N56 PolarHBondContact O-N 3.35Å; D54-N56 VanDerWaalsContact OD1-CA 3.29Å; D54-N56 WeakPolarHBondContact OD1-CA 3.35Å; D54-N56 WeakPolarHBondContact OD1-CB 3.46Å; D54-N56 PolarHBondContact OD1-N 3.24Å; D54-H57 HydrophobicContact CB-CB 3.99Å; D54-H57 PolarHBondContact O-N 3.44Å; D54-H57 IonicContact OD1-CG 3.93Å; D54-H57 PolarHBondContact OD1-N 3.32Å; D54-K58 WeakPolarHBondContact O-CG 3.18Å; D54-K58 PolarHBondContact O-N 2.84Å
55P88Confident86.2Confident86 Ų8662.2 Ų62.256%0.55832%0.321SS*.Hα-helixtrans-61.6-32-179.8-24.734.5000114.9K59P55-K59 WeakPolarHBondContact O-CG 3.36Å; P55-K59 PolarHBondContact O-N 2.97Å
56N87.8Confident86.5Confident68 Ų6861.4 Ų61.436%0.36432%0.317SS..Hα-helixtrans-72.2-46.7176-61.3-38.6000110D54 K58 K59 L60 E160D54-N56 VanDerWaalsContact C-N 3.31Å; D54-N56 PolarHBondContact O-N 3.35Å; D54-N56 VanDerWaalsContact OD1-CA 3.29Å; D54-N56 WeakPolarHBondContact OD1-CA 3.35Å; D54-N56 WeakPolarHBondContact OD1-CB 3.46Å; D54-N56 PolarHBondContact OD1-N 3.24Å; N56-K58 PolarHBondContact O-N 2.71Å; N56-K59 WeakPolarHBondContact O-CB 3.45Å; N56-K59 PolarHBondContact O-N 3.21Å; N56-L60 WeakPolarHBondContact O-CG 3.43Å; N56-L60 PolarHBondContact O-N 2.89Å; N56-E160 WeakPolarHBondContact CB-OE1 3.14Å
57H89.7Confident86.8Confident50 Ų5056.5 Ų56.523%0.23129%0.294CS..Hα-helixtrans-57.8-38.1174.4-62.4167.7000112.1L52 D54 K59 L60 A61L52-H57 HydrophobicContact CD2-CB 4.29Å; D54-H57 HydrophobicContact CB-CB 3.99Å; D54-H57 PolarHBondContact O-N 3.44Å; D54-H57 IonicContact OD1-CG 3.93Å; D54-H57 PolarHBondContact OD1-N 3.32Å; H57-K59 PolarHBondContact O-N 3.29Å; H57-L60 PolarHBondContact O-N 3.33Å; H57-A61 WeakPolarHBondContact O-CB 3.4Å; H57-A61 PolarHBondContact O-N 2.72Å
58K90.5Very high87.1Confident90 Ų9056.4 Ų56.439%0.39129%0.294SS..Hα-helixtrans-60-43.8173-74.4-177.5-177.9-173.20112.6L52 D54 N56 A61 Q62L52-K58 HydrophobicContact CB-CG 3.91Å; L52-K58 WeakPolarHBondContact O-CE 3.29Å; L52-K58 PolarHBondContact O-NZ 3.25Å; D54-K58 WeakPolarHBondContact O-CG 3.18Å; D54-K58 PolarHBondContact O-N 2.84Å; N56-K58 PolarHBondContact O-N 2.71Å; K58-A61 PolarHBondContact O-N 3.2Å; K58-Q62 VanDerWaalsContact O-CG 3.29Å; K58-Q62 WeakPolarHBondContact O-CG 3.21Å; K58-Q62 PolarHBondContact O-N 3.22Å
59K89.1Confident87.4Confident102 Ų10258.6 Ų58.644%0.44330%0.3SS..Hα-helixtrans-64.7-44.6177.1-72172.2-176.6173.60111.2P55 N56 H57 A61 Q62 C63P55-K59 WeakPolarHBondContact O-CG 3.36Å; P55-K59 PolarHBondContact O-N 2.97Å; N56-K59 WeakPolarHBondContact O-CB 3.45Å; N56-K59 PolarHBondContact O-N 3.21Å; H57-K59 PolarHBondContact O-N 3.29Å; K59-A61 VanDerWaalsContact C-N 3.34Å; K59-A61 PolarHBondContact O-N 2.61Å; K59-Q62 WeakPolarHBondContact O-CB 3.13Å; K59-Q62 PolarHBondContact O-N 3.42Å; K59-C63 PolarHBondContact O-N 3.3Å; K59-C63 PolarHBondContact O-SG 3.42Å
60L90.9Very high87.5Confident2 Ų261.9 Ų61.91%0.0131%0.314CS..Hα-helixtrans-58.4-47.4175.7-61.4174.4000111L23 N56 H57 Q62 C63 L64 W159 I162 R163L23-L60 HydrophobicContact CD1-CB 4.37Å; L23-L60 HydrophobicContact CD1-CD1 4.27Å; L23-L60 HydrophobicContact CD2-CB 3.93Å; N56-L60 WeakPolarHBondContact O-CG 3.43Å; N56-L60 PolarHBondContact O-N 2.89Å; H57-L60 PolarHBondContact O-N 3.33Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-Q62 PolarHBondContact O-N 3.23Å; L60-C63 PolarHBondContact O-N 3.33Å; L60-L64 WeakPolarHBondContact O-CG 3.02Å; L60-L64 PolarHBondContact O-N 3.09Å; L60-W159 HydrophobicContact CD1-CB 3.94Å; L60-I162 HydrophobicContact CD2-CG2 3.23Å; L60-I162 HydrophobicContact CG-CG2 4.49Å; L60-R163 HydrophobicContact CD2-CG 3.79Å
61A91.3Very high87.8Confident4 Ų454.7 Ų54.73%0.03328%0.281CS..Hα-helixtrans-60-42.3177.200000112.1L23 L52 H57 K58 K59 C63 L64 Q65L23-A61 HydrophobicContact CD2-CB 4.15Å; L52-A61 HydrophobicContact CD1-CB 3.48Å; L52-A61 VanDerWaalsContact CD1-CB 3.48Å; H57-A61 WeakPolarHBondContact O-CB 3.4Å; H57-A61 PolarHBondContact O-N 2.72Å; K58-A61 PolarHBondContact O-N 3.2Å; K59-A61 VanDerWaalsContact C-N 3.34Å; K59-A61 PolarHBondContact O-N 2.61Å; A61-C63 PolarHBondContact O-N 2.7Å; A61-L64 WeakPolarHBondContact O-CB 3.49Å; A61-L64 PolarHBondContact O-N 3.41Å; A61-Q65 WeakPolarHBondContact O-CG 3.44Å; A61-Q65 PolarHBondContact O-N 3.48Å
62Q89.1Confident88.3Confident122 Ų12249.6 Ų49.657%0.5726%0.258SS*.Hα-helixtrans-60.3-43.9174.6-74.9171.67.800112.3K58 K59 L60 Q65 Q66K58-Q62 VanDerWaalsContact O-CG 3.29Å; K58-Q62 WeakPolarHBondContact O-CG 3.21Å; K58-Q62 PolarHBondContact O-N 3.22Å; K59-Q62 WeakPolarHBondContact O-CB 3.13Å; K59-Q62 PolarHBondContact O-N 3.42Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-Q62 PolarHBondContact O-N 3.23Å; Q62-Q65 WeakPolarHBondContact O-CB 3.35Å; Q62-Q65 PolarHBondContact O-N 3.29Å; Q62-Q66 WeakPolarHBondContact O-CG 3.42Å; Q62-Q66 PolarHBondContact O-N 3.05Å
63C87.6Confident88.4Confident26 Ų2652 Ų5218%0.17629%0.285CS..Hα-helixtrans-64.9-40.5177.6-60.10000111.6K59 L60 A61 Q65 Q66 I67 F166K59-C63 PolarHBondContact O-N 3.3Å; K59-C63 PolarHBondContact O-SG 3.42Å; L60-C63 PolarHBondContact O-N 3.33Å; A61-C63 PolarHBondContact O-N 2.7Å; C63-Q65 VanDerWaalsContact C-N 3.32Å; C63-Q65 PolarHBondContact O-N 2.91Å; C63-Q66 PolarHBondContact O-N 3.05Å; C63-I67 PolarHBondContact O-N 3.35Å; C63-F166 VanDerWaalsContact C-CZ 3.43Å; C63-F166 HydrophobicContact CB-CD1 3.99Å; C63-F166 HydrophobicContact CB-CD2 3.68Å; C63-F166 HydrophobicContact CB-CE1 3.52Å; C63-F166 HydrophobicContact CB-CE2 3.25Å; C63-F166 HydrophobicContact CB-CG 4.08Å; C63-F166 HydrophobicContact CB-CZ 3.22Å; C63-F166 WeakPolarHBondContact O-CE1 3.36Å; C63-F166 WeakPolarHBondContact O-CZ 3.38Å
64L89.9Confident88.8Confident1 Ų148.6 Ų48.61%0.00526%0.26CS..Hα-helixtrans-58.2-44.5172.6-69.6173.6000111.6L23 F27 L60 A61 Q66 I67 G68 V112 F115 I162L23-L64 HydrophobicContact CB-CD1 4.01Å; L23-L64 HydrophobicContact CD1-CD1 4.44Å; L23-L64 HydrophobicContact CD2-CD1 4.4Å; F27-L64 HydrophobicContact CD2-CB 3.83Å; F27-L64 HydrophobicContact CE2-CB 4.22Å; F27-L64 VanDerWaalsContact CE2-O 3.26Å; F27-L64 WeakPolarHBondContact CE2-O 3.38Å; L60-L64 WeakPolarHBondContact O-CG 3.02Å; L60-L64 PolarHBondContact O-N 3.09Å; A61-L64 WeakPolarHBondContact O-CB 3.49Å; A61-L64 PolarHBondContact O-N 3.41Å; L64-Q66 VanDerWaalsContact C-N 3.35Å; L64-Q66 PolarHBondContact O-N 3.36Å; L64-I67 PolarHBondContact O-N 2.91Å; L64-G68 PolarHBondContact O-N 2.88Å; L64-V112 HydrophobicContact CD2-CG1 4.39Å; L64-V112 HydrophobicContact CD2-CG2 3.61Å; L64-F115 HydrophobicContact CD1-CD2 4.33Å; L64-F115 HydrophobicContact CD1-CE2 4.44Å; L64-I162 HydrophobicContact CD2-CD1 3.51Å; L64-I162 HydrophobicContact CG-CD1 4.22Å
65Q90.9Very high88.9Confident10 Ų1053.6 Ų53.65%0.04728%0.283CS..Hα-helixtrans-58.3-45.1176.8-71.1-61-29.700112F27 A61 Q62 C63 I67 G68 D69F27-Q65 VanDerWaalsContact CA-NE2 3.3Å; F27-Q65 PolarHBondContact O-NE2 3.34Å; A61-Q65 WeakPolarHBondContact O-CG 3.44Å; A61-Q65 PolarHBondContact O-N 3.48Å; Q62-Q65 WeakPolarHBondContact O-CB 3.35Å; Q62-Q65 PolarHBondContact O-N 3.29Å; C63-Q65 VanDerWaalsContact C-N 3.32Å; C63-Q65 PolarHBondContact O-N 2.91Å; Q65-I67 PolarHBondContact O-N 2.88Å; Q65-G68 CarbonylContact O-C 3.59Å; Q65-G68 WeakPolarHBondContact O-CA 3.49Å; Q65-G68 PolarHBondContact O-N 3.31Å; Q65-G68 VanDerWaalsContact O-N 3.08Å; Q65-D69 VanDerWaalsContact O-CG 3.23Å; Q65-D69 PolarHBondContact O-N 2.99Å
66Q87.1Confident89Confident113 Ų11354.5 Ų54.553%0.52828%0.28SS..Hα-helixtrans-58.5-46.9179.6-72.4173.9-21.700112.7Q62 C63 L64 G68 D69 E70Q62-Q66 WeakPolarHBondContact O-CG 3.42Å; Q62-Q66 PolarHBondContact O-N 3.05Å; C63-Q66 PolarHBondContact O-N 3.05Å; L64-Q66 VanDerWaalsContact C-N 3.35Å; L64-Q66 PolarHBondContact O-N 3.36Å; Q66-G68 VanDerWaalsContact C-N 3.29Å; Q66-G68 PolarHBondContact O-N 3.1Å; Q66-D69 PolarHBondContact O-N 3.14Å; Q66-D69 VanDerWaalsContact O-N 3.15Å; Q66-E70 PolarHBondContact O-N 3.1Å
67I84.7Confident89.2Confident3 Ų351.2 Ų51.22%0.01526%0.262CS..Hα-helixtrans-63.3-41174.7-73.4166.6000110.6C63 L64 Q65 D69 E70 L71 V112 Y165 F166 W171 L174C63-I67 PolarHBondContact O-N 3.35Å; L64-I67 PolarHBondContact O-N 2.91Å; Q65-I67 PolarHBondContact O-N 2.88Å; I67-D69 PolarHBondContact O-N 3.12Å; I67-E70 PolarHBondContact O-N 3.09Å; I67-L71 HydrophobicContact CG2-CD1 3.81Å; I67-L71 HydrophobicContact CG2-CG 4.02Å; I67-L71 VanDerWaalsContact O-CG 3.31Å; I67-L71 WeakPolarHBondContact O-CG 3.5Å; I67-L71 PolarHBondContact O-N 3.3Å; I67-V112 HydrophobicContact CB-CG1 3.96Å; I67-V112 HydrophobicContact CD1-CB 4.46Å; I67-V112 HydrophobicContact CD1-CG1 4.11Å; I67-V112 HydrophobicContact CD1-CG2 4.08Å; I67-V112 HydrophobicContact CG2-CB 4.49Å; I67-V112 HydrophobicContact CG2-CG1 3.44Å; I67-V112 VanDerWaalsContact CG2-CG1 3.44Å; I67-Y165 HydrophobicContact CD1-CE1 4.48Å; I67-F166 HydrophobicContact CD1-CD1 3.92Å; I67-F166 HydrophobicContact CD1-CE1 3.06Å; I67-F166 HydrophobicContact CD1-CZ 3.48Å; I67-F166 VanDerWaalsContact CD1-CZ 3.48Å; I67-F166 HydrophobicContact CG1-CD1 4.29Å; I67-F166 HydrophobicContact CG1-CE1 3.53Å; I67-F166 HydrophobicContact CG1-CZ 4.31Å; I67-W171 HydrophobicContact CD1-CB 4.43Å; I67-W171 HydrophobicContact CG1-CB 4.34Å; I67-L174 HydrophobicContact CG2-CD2 3.68Å
68G88.7Confident89.3Confident0 Ų050.6 Ų50.60%026%0.26CS..Hα-helixtrans-54-44.3175.300000111.5R31 L64 Q65 Q66 E70 L71 D72R31-G68 VanDerWaalsContact CZ-C 3.47Å; R31-G68 VanDerWaalsContact CZ-CA 3.49Å; R31-G68 PolarHBondContact NH2-O 3.29Å; L64-G68 PolarHBondContact O-N 2.88Å; Q65-G68 CarbonylContact O-C 3.59Å; Q65-G68 WeakPolarHBondContact O-CA 3.49Å; Q65-G68 PolarHBondContact O-N 3.31Å; Q65-G68 VanDerWaalsContact O-N 3.08Å; Q66-G68 VanDerWaalsContact C-N 3.29Å; Q66-G68 PolarHBondContact O-N 3.1Å; G68-E70 VanDerWaalsContact C-N 3.27Å; G68-E70 PolarHBondContact O-N 3.33Å; G68-L71 PolarHBondContact O-N 3.01Å; G68-D72 PolarHBondContact O-N 3.27Å
69D88.6Confident89.3Confident68 Ų6853.7 Ų53.736%0.36427%0.273SS..Hα-helixtrans-65.7-34.9-176.3-63.8-15.1000110.5R31 R34 Q65 Q66 I67 D72 G73R31-D69 IonicContact NH2-OD1 3.69Å; R31-D69 PolarHBondContact NH2-OD1 3.34Å; R34-D69 IonicContact NH1-OD1 3.95Å; R34-D69 IonicContact NH1-OD2 3.62Å; Q65-D69 VanDerWaalsContact O-CG 3.23Å; Q65-D69 PolarHBondContact O-N 2.99Å; Q66-D69 PolarHBondContact O-N 3.14Å; Q66-D69 VanDerWaalsContact O-N 3.15Å; I67-D69 PolarHBondContact O-N 3.12Å; D69-D72 WeakPolarHBondContact O-CB 3.27Å; D69-D72 PolarHBondContact O-N 3.39Å; D69-G73 PolarHBondContact O-N 3.08Å
70E85.8Confident89.3Confident78 Ų7850.2 Ų50.236%0.36426%0.259SS..Hα-helixtrans-70.8-40.8173.5-66.7167.4176.200112.9Q66 I67 G68 D72 G73 N74 W171Q66-E70 PolarHBondContact O-N 3.1Å; I67-E70 PolarHBondContact O-N 3.09Å; G68-E70 VanDerWaalsContact C-N 3.27Å; G68-E70 PolarHBondContact O-N 3.33Å; E70-D72 PolarHBondContact O-N 3.14Å; E70-G73 WeakPolarHBondContact O-CA 3.34Å; E70-G73 PolarHBondContact O-N 2.89Å; E70-N74 PolarHBondContact O-N 3.16Å; E70-W171 HydrophobicContact CG-CZ3 4.31Å; E70-W171 WeakPolarHBondContact OE1-CH2 3.43Å; E70-W171 WeakPolarHBondContact OE1-CZ3 3.31Å; E70-W171 WeakPolarHBondContact OE2-CZ3 3.32Å
71L89.5Confident89.3Confident4 Ų450.2 Ų50.22%0.02126%0.259CS..Hα-helixtrans-62.6-34.9173.8-68.8175.4000111.1I67 G68 G73 N74 L77 Q78 Y116 L174 G175I67-L71 HydrophobicContact CG2-CD1 3.81Å; I67-L71 HydrophobicContact CG2-CG 4.02Å; I67-L71 VanDerWaalsContact O-CG 3.31Å; I67-L71 WeakPolarHBondContact O-CG 3.5Å; I67-L71 PolarHBondContact O-N 3.3Å; G68-L71 PolarHBondContact O-N 3.01Å; L71-G73 VanDerWaalsContact C-N 3.28Å; L71-G73 PolarHBondContact O-N 3.32Å; L71-N74 PolarHBondContact O-N 3.06Å; L71-L77 HydrophobicContact CB-CD2 3.94Å; L71-L77 HydrophobicContact CD2-CD2 3.81Å; L71-L77 HydrophobicContact CG-CD2 4.42Å; L71-Q78 PolarHBondContact O-NE2 3.48Å; L71-Y116 HydrophobicContact CB-CD1 4.33Å; L71-Y116 HydrophobicContact CB-CD2 3.9Å; L71-Y116 HydrophobicContact CB-CE1 4.04Å; L71-Y116 HydrophobicContact CB-CE2 3.57Å; L71-Y116 HydrophobicContact CB-CG 4.27Å; L71-Y116 HydrophobicContact CD1-CD1 3.92Å; L71-Y116 HydrophobicContact CD1-CD2 3.62Å; L71-Y116 HydrophobicContact CD1-CE1 4.47Å; L71-Y116 HydrophobicContact CD1-CE2 4.2Å; L71-Y116 HydrophobicContact CD1-CG 3.46Å; L71-Y116 VanDerWaalsContact CD1-CG 3.46Å; L71-Y116 HydrophobicContact CG-CD2 4.41Å; L71-L174 HydrophobicContact CD1-CD2 4.21Å; L71-L174 HydrophobicContact CD2-CB 4.22Å; L71-L174 HydrophobicContact CD2-CD2 4.26Å; L71-L174 HydrophobicContact CD2-CG 4.06Å; L71-G175 VanDerWaalsContact CD2-CA 3.46Å
72D89.4Confident89.1Confident36 Ų3655.3 Ų55.319%0.19329%0.286CS..Hα-helixtrans-63.3-35.2172.2-65-21.7000112.3R31 H35 G68 D69 E70 N74 Q78 Y116R31-D72 IonicContact CZ-OD1 3.89Å; R31-D72 IonicContact CZ-OD2 3.17Å; R31-D72 IonicContact NH1-OD1 3.51Å; R31-D72 PolarHBondContact NH1-OD1 3.13Å; R31-D72 IonicContact NH1-OD2 2.86Å; R31-D72 PolarHBondContact NH1-OD2 2.9Å; R31-D72 IonicContact NH2-OD2 2.78Å; R31-D72 PolarHBondContact NH2-OD2 3.3Å; H35-D72 IonicContact CE1-OD2 3.72Å; H35-D72 IonicContact NE2-OD2 3.45Å; H35-D72 PolarHBondContact NE2-OD2 3.26Å; G68-D72 PolarHBondContact O-N 3.27Å; D69-D72 WeakPolarHBondContact O-CB 3.27Å; D69-D72 PolarHBondContact O-N 3.39Å; E70-D72 PolarHBondContact O-N 3.14Å; D72-N74 VanDerWaalsContact C-N 3.26Å; D72-N74 PolarHBondContact O-N 3.28Å; D72-Q78 VanDerWaalsContact O-CG 3.22Å; D72-Q78 WeakPolarHBondContact O-CG 3.38Å; D72-Y116 WeakPolarHBondContact OD1-CE2 3.37Å; D72-Y116 VanDerWaalsContact OD1-CZ 3.3Å; D72-Y116 PolarHBondContact OD1-OH 3.29Å
73G88.4Confident89.1Confident60 Ų6051.9 Ų51.962%0.61927%0.271SS*.Hα-helixtrans-69.4-17175.500000114.8D69 E70 L71 M75D69-G73 PolarHBondContact O-N 3.08Å; E70-G73 WeakPolarHBondContact O-CA 3.34Å; E70-G73 PolarHBondContact O-N 2.89Å; L71-G73 VanDerWaalsContact C-N 3.28Å; L71-G73 PolarHBondContact O-N 3.32Å; G73-M75 PolarHBondContact O-N 3.19Å
74N90.4Very high89Confident35 Ų3556.1 Ų56.119%0.18730%0.301CS..  trans-79.4101.5180-173.2-63.6000111.6E70 L71 D72 E76 L77 Q78E70-N74 PolarHBondContact O-N 3.16Å; L71-N74 PolarHBondContact O-N 3.06Å; D72-N74 VanDerWaalsContact C-N 3.26Å; D72-N74 PolarHBondContact O-N 3.28Å; N74-E76 VanDerWaalsContact C-N 3.32Å; N74-E76 PolarHBondContact O-N 2.69Å; N74-E76 PolarHBondContact OD1-N 3.28Å; N74-L77 HydrophobicContact CB-CB 3.92Å; N74-L77 HydrophobicContact CB-CD2 4.48Å; N74-L77 WeakPolarHBondContact O-CB 3.35Å; N74-L77 PolarHBondContact O-N 3.01Å; N74-L77 VanDerWaalsContact OD1-CB 3.31Å; N74-L77 WeakPolarHBondContact OD1-CB 3.43Å; N74-L77 PolarHBondContact OD1-N 3.38Å; N74-Q78 WeakPolarHBondContact O-CG 3.28Å; N74-Q78 PolarHBondContact O-N 3.46Å
75M89.9Confident88.7Confident168 Ų16857.3 Ų57.383%0.82831%0.311SS*.Hα-helixtrans-59.5-36.7-175.3-64-176.2-178.200114.2G73 Q78 K79G73-M75 PolarHBondContact O-N 3.19Å; M75-Q78 PolarHBondContact O-N 3.04Å; M75-K79 PolarHBondContact O-N 2.95Å
76E90.4Very high88.5Confident104 Ų10457 Ų5749%0.48631%0.31SS..Hα-helixtrans-68.1-44.9179.5-172.5176.1-16700110.9N74 Q78 K79 M80 A179N74-E76 VanDerWaalsContact C-N 3.32Å; N74-E76 PolarHBondContact O-N 2.69Å; N74-E76 PolarHBondContact OD1-N 3.28Å; E76-Q78 VanDerWaalsContact C-N 3.34Å; E76-Q78 PolarHBondContact O-N 2.95Å; E76-K79 WeakPolarHBondContact O-CB 3.43Å; E76-K79 PolarHBondContact O-N 3.19Å; E76-M80 HydrophobicContact CG-CE 4.42Å; E76-M80 WeakPolarHBondContact O-CG 3.39Å; E76-M80 PolarHBondContact O-N 3.43Å; E76-M80 VanDerWaalsContact O-N 3.11Å; E76-A179 HydrophobicContact CB-CB 4.39Å; E76-A179 HydrophobicContact CG-CB 4.08Å
77L90.5Very high88.7Confident0 Ų053.3 Ų53.30%030%0.296CS..Hα-helixtrans-58.1-46.4172.8177.556.5000111.2L71 N74 K79 M80 I81 Y116 L178 A179 L182L71-L77 HydrophobicContact CB-CD2 3.94Å; L71-L77 HydrophobicContact CD2-CD2 3.81Å; L71-L77 HydrophobicContact CG-CD2 4.42Å; N74-L77 HydrophobicContact CB-CB 3.92Å; N74-L77 HydrophobicContact CB-CD2 4.48Å; N74-L77 WeakPolarHBondContact O-CB 3.35Å; N74-L77 PolarHBondContact O-N 3.01Å; N74-L77 VanDerWaalsContact OD1-CB 3.31Å; N74-L77 WeakPolarHBondContact OD1-CB 3.43Å; N74-L77 PolarHBondContact OD1-N 3.38Å; L77-K79 VanDerWaalsContact C-N 3.31Å; L77-K79 PolarHBondContact O-N 3.05Å; L77-M80 PolarHBondContact O-N 3.49Å; L77-I81 HydrophobicContact CD1-CD1 3.53Å; L77-I81 HydrophobicContact CD1-CG1 4.08Å; L77-I81 HydrophobicContact CG-CD1 3.67Å; L77-I81 VanDerWaalsContact O-CG1 3.31Å; L77-I81 WeakPolarHBondContact O-CG1 3.47Å; L77-I81 PolarHBondContact O-N 2.81Å; L77-Y116 HydrophobicContact CD2-CD1 4.48Å; L77-Y116 HydrophobicContact CD2-CE1 3.88Å; L77-Y116 HydrophobicContact CG-CE1 4.36Å; L77-L178 HydrophobicContact CD1-CB 4.11Å; L77-L178 HydrophobicContact CD1-CD2 3.92Å; L77-L178 HydrophobicContact CD1-CG 3.7Å; L77-L178 HydrophobicContact CD2-CB 4.44Å; L77-L178 HydrophobicContact CD2-CD2 4.08Å; L77-L178 HydrophobicContact CD2-CG 4.48Å; L77-A179 HydrophobicContact CB-CB 4.26Å; L77-L182 HydrophobicContact CD1-CD1 3.53Å
78Q91.6Very high89Confident37 Ų3754 Ų5417%0.17330%0.301CS..Hα-helixtrans-59.4-41.8177.4-65.2-42.3-56.600112.2L71 D72 N74 M75 E76 M80 I81 N82 Y116 R120L71-Q78 PolarHBondContact O-NE2 3.48Å; D72-Q78 VanDerWaalsContact O-CG 3.22Å; D72-Q78 WeakPolarHBondContact O-CG 3.38Å; N74-Q78 WeakPolarHBondContact O-CG 3.28Å; N74-Q78 PolarHBondContact O-N 3.46Å; M75-Q78 PolarHBondContact O-N 3.04Å; E76-Q78 VanDerWaalsContact C-N 3.34Å; E76-Q78 PolarHBondContact O-N 2.95Å; Q78-M80 PolarHBondContact O-N 2.81Å; Q78-I81 PolarHBondContact O-N 3.46Å; Q78-N82 WeakPolarHBondContact O-CB 3.37Å; Q78-N82 VanDerWaalsContact O-CG 3.26Å; Q78-N82 PolarHBondContact O-N 2.88Å; Q78-N82 PolarHBondContact O-ND2 3.01Å; Q78-Y116 PolarHBondContact NE2-OH 2.86Å; Q78-R120 VanDerWaalsContact OE1-CZ 3.3Å; Q78-R120 VanDerWaalsContact OE1-NH2 3.15Å
79K91.1Very high89.1Confident154 Ų15455.3 Ų55.367%0.6731%0.31SS*.Hα-helixtrans-58.7-46.5176-178.1-176.2176.7-176.20111.7M75 E76 L77 N82 D83M75-K79 PolarHBondContact O-N 2.95Å; E76-K79 WeakPolarHBondContact O-CB 3.43Å; E76-K79 PolarHBondContact O-N 3.19Å; L77-K79 VanDerWaalsContact C-N 3.31Å; L77-K79 PolarHBondContact O-N 3.05Å; K79-N82 PolarHBondContact O-N 3.36Å; K79-D83 PolarHBondContact O-N 3.25Å
80M90.3Very high89.4Confident29 Ų2957.3 Ų57.314%0.14332%0.316CS..Hα-helixtrans-67.7-36.1-179-61.5-55167.700112.5E76 L77 Q78 D83 L182 T183 L186E76-M80 HydrophobicContact CG-CE 4.42Å; E76-M80 WeakPolarHBondContact O-CG 3.39Å; E76-M80 PolarHBondContact O-N 3.43Å; E76-M80 VanDerWaalsContact O-N 3.11Å; L77-M80 PolarHBondContact O-N 3.49Å; Q78-M80 PolarHBondContact O-N 2.81Å; M80-D83 VanDerWaalsContact O-CB 3.29Å; M80-D83 WeakPolarHBondContact O-CB 3.49Å; M80-D83 PolarHBondContact O-N 2.81Å; M80-L182 HydrophobicContact CB-CB 3.99Å; M80-L182 HydrophobicContact CB-CD1 4.09Å; M80-T183 WeakPolarHBondContact CE-OG1 3.48Å; M80-L186 HydrophobicContact CB-CD1 4.27Å; M80-L186 HydrophobicContact SD-CD1 4.14Å
81I89.7Confident89.7Confident3 Ų359.9 Ų59.92%0.01533%0.332CS..Hα-helixtrans-72.8-35.7-179.4-64.5164000112L77 Q78 D83 L86 Y116 R120 K124 L182L77-I81 HydrophobicContact CD1-CD1 3.53Å; L77-I81 HydrophobicContact CD1-CG1 4.08Å; L77-I81 HydrophobicContact CG-CD1 3.67Å; L77-I81 VanDerWaalsContact O-CG1 3.31Å; L77-I81 WeakPolarHBondContact O-CG1 3.47Å; L77-I81 PolarHBondContact O-N 2.81Å; Q78-I81 PolarHBondContact O-N 3.46Å; I81-D83 PolarHBondContact O-N 3.44Å; I81-L86 HydrophobicContact CB-CD2 4.49Å; I81-L86 HydrophobicContact CG2-CD2 4.16Å; I81-Y116 HydrophobicContact CD1-CE1 3.63Å; I81-R120 HydrophobicContact CD1-CG 4.11Å; I81-R120 HydrophobicContact CG2-CB 3.78Å; I81-R120 HydrophobicContact CG2-CG 4.16Å; I81-K124 PolarHBondContact O-NZ 2.82Å; I81-L182 HydrophobicContact CD1-CD1 4.23Å; I81-L182 HydrophobicContact CG1-CD1 3.55Å
82N88.4Confident89.9Confident111 Ų11160.4 Ų60.459%0.59434%0.335SS*.Hα-helixtrans-78.5-6.4178-65.9-22.7000112.9Q78 K79 S84 R120Q78-N82 WeakPolarHBondContact O-CB 3.37Å; Q78-N82 VanDerWaalsContact O-CG 3.26Å; Q78-N82 PolarHBondContact O-N 2.88Å; Q78-N82 PolarHBondContact O-ND2 3.01Å; K79-N82 PolarHBondContact O-N 3.36Å; N82-S84 PolarHBondContact O-N 3.22Å; N82-R120 PolarHBondContact OD1-NH2 3.12Å; N82-R120 VanDerWaalsContact OD1-NH2 3.11Å
83D88.8Confident90.2Very high50 Ų5058.7 Ų58.727%0.26733%0.326SS..  trans-58131.4175-166.9-57.3000110.7K79 M80 I81 A85 L86 K124 L186K79-D83 PolarHBondContact O-N 3.25Å; M80-D83 VanDerWaalsContact O-CB 3.29Å; M80-D83 WeakPolarHBondContact O-CB 3.49Å; M80-D83 PolarHBondContact O-N 2.81Å; I81-D83 PolarHBondContact O-N 3.44Å; D83-A85 PolarHBondContact O-N 3.49Å; D83-A85 WeakPolarHBondContact OD1-CA 3.24Å; D83-A85 WeakPolarHBondContact OD1-CB 3.38Å; D83-A85 PolarHBondContact OD1-N 3.2Å; D83-L86 WeakPolarHBondContact O-CB 3.45Å; D83-L86 PolarHBondContact O-N 2.97Å; D83-K124 PolarHBondContact O-NZ 3.01Å; D83-L186 HydrophobicContact CB-CD1 4.3Å
84S84.4Confident90.5Very high114 Ų11457.5 Ų57.580%0.79731%0.305SS*.THydrogen-bonded Turntrans-64-24.5-178.8570000112.9N82 L86N82-S84 PolarHBondContact O-N 3.22Å; S84-L86 PolarHBondContact O-N 3.41Å
85A83.8Confident90.7Very high27 Ų2758.8 Ų58.822%0.22331%0.309CS..THydrogen-bonded Turntrans-69.7-14.2173.800000113.1D83 S87 L186 R189D83-A85 PolarHBondContact O-N 3.49Å; D83-A85 WeakPolarHBondContact OD1-CA 3.24Å; D83-A85 WeakPolarHBondContact OD1-CB 3.38Å; D83-A85 PolarHBondContact OD1-N 3.2Å; A85-S87 PolarHBondContact O-N 2.95Å; A85-L186 HydrophobicContact CB-CD2 4.23Å; A85-R189 PolarHBondContact O-NH1 3.42Å
86L87.4Confident91Very high3 Ų350.9 Ų50.92%0.01627%0.27CS..  trans-85.591.8174.7-166.182.2000110.7I81 D83 S84 V92 F117 L121 K124 L186I81-L86 HydrophobicContact CB-CD2 4.49Å; I81-L86 HydrophobicContact CG2-CD2 4.16Å; D83-L86 WeakPolarHBondContact O-CB 3.45Å; D83-L86 PolarHBondContact O-N 2.97Å; S84-L86 PolarHBondContact O-N 3.41Å; L86-V92 HydrophobicContact CD1-CG1 3.61Å; L86-V92 HydrophobicContact CG-CG1 4.2Å; L86-F117 HydrophobicContact CD1-CE2 4.01Å; L86-F117 HydrophobicContact CD1-CZ 4.04Å; L86-F117 HydrophobicContact CD2-CE2 3.84Å; L86-F117 HydrophobicContact CD2-CZ 4.44Å; L86-F117 HydrophobicContact CG-CE2 4.43Å; L86-L121 HydrophobicContact CD2-CD2 4.18Å; L86-L121 HydrophobicContact CG-CD2 4.34Å; L86-K124 VanDerWaalsContact O-CD 3.27Å; L86-K124 WeakPolarHBondContact O-CD 3.48Å; L86-K124 WeakPolarHBondContact O-CE 3.49Å; L86-K124 PolarHBondContact O-NZ 2.68Å; L86-L186 HydrophobicContact CB-CD2 4.38Å; L86-L186 HydrophobicContact CD1-CD2 4.17Å
87S90Very high91.2Very high35 Ų3546 Ų4625%0.24525%0.247CC..  trans-89.3140.8178.849.90000112.6A85 S89 V92 R189A85-S87 PolarHBondContact O-N 2.95Å; S87-S89 VanDerWaalsContact C-N 3.3Å; S87-S89 PolarHBondContact O-N 3.47Å; S87-S89 PolarHBondContact O-OG 3.34Å; S87-S89 VanDerWaalsContact O-OG 3.06Å; S87-S89 PolarHBondContact OG-OG 2.93Å; S87-V92 WeakPolarHBondContact O-CB 3.05Å; S87-R189 PolarHBondContact OG-NH1 2.97Å
88P91.1Very high91.5Very high17 Ų1751.5 Ų51.511%0.1127%0.269CS..SBendtrans-67.888.6169.430.6-35.6000109.6L121 A125 I130 I133 I137P88-L121 HydrophobicContact CB-CB 4.43Å; P88-A125 HydrophobicContact CB-CB 4.18Å; P88-A125 HydrophobicContact CG-CB 4.34Å; P88-I130 HydrophobicContact CG-CD1 3.61Å; P88-I133 WeakPolarHBondContact O-CD1 3.5Å; P88-I137 HydrophobicContact CB-CD1 4.22Å
89S92.7Very high91.6Very high29 Ų2952.4 Ų52.420%0.20327%0.273CS..SBendtrans-149.2153.1-172.253.40000109.9S87 D91 V92 F93 W140S87-S89 VanDerWaalsContact C-N 3.3Å; S87-S89 PolarHBondContact O-N 3.47Å; S87-S89 PolarHBondContact O-OG 3.34Å; S87-S89 VanDerWaalsContact O-OG 3.06Å; S87-S89 PolarHBondContact OG-OG 2.93Å; S89-D91 VanDerWaalsContact C-N 3.32Å; S89-D91 PolarHBondContact O-N 2.84Å; S89-V92 PolarHBondContact O-N 3.3Å; S89-V92 WeakPolarHBondContact OG-CB 3.47Å; S89-V92 VanDerWaalsContact OG-CG2 3.22Å; S89-V92 WeakPolarHBondContact OG-CG2 2.93Å; S89-F93 PolarHBondContact O-N 2.94Å; S89-W140 VanDerWaalsContact C-CZ3 3.48Å
90K93.3Very high91.8Very high110 Ų11045.1 Ų45.148%0.47824%0.241SC..Hα-helixtrans-60.8-42.3-175.4-166.8175.2-176.8-178.70111.9V92 F93 M94 W140K90-V92 PolarHBondContact O-N 3.43Å; K90-F93 WeakPolarHBondContact O-CB 3.32Å; K90-F93 PolarHBondContact O-N 3.39Å; K90-M94 HydrophobicContact CG-CG 4.21Å; K90-M94 WeakPolarHBondContact O-CB 3.36Å; K90-M94 WeakPolarHBondContact O-CG 3.34Å; K90-M94 PolarHBondContact O-N 3.21Å; K90-W140 HydrophobicContact CB-CD2 4.21Å; K90-W140 HydrophobicContact CB-CE3 4.44Å; K90-W140 HydrophobicContact CB-CH2 3.82Å; K90-W140 HydrophobicContact CB-CZ2 3.52Å; K90-W140 HydrophobicContact CB-CZ3 4.26Å; K90-W140 HydrophobicContact CD-CZ2 4.46Å; K90-W140 HydrophobicContact CG-CD2 3.98Å; K90-W140 HydrophobicContact CG-CG 4.32Å; K90-W140 HydrophobicContact CG-CZ2 4.03Å
91D92.6Very high92.1Very high132 Ų13244.4 Ų44.471%0.70624%0.237SC*.Hα-helixtrans-63.7-43.1-178.1-56.9-43.5000111.8S89 K95S89-D91 VanDerWaalsContact C-N 3.32Å; S89-D91 PolarHBondContact O-N 2.84Å; D91-K95 WeakPolarHBondContact O-CB 3.41Å; D91-K95 PolarHBondContact O-N 3.12Å
92V93.1Very high92.2Very high15 Ų1548.2 Ų48.29%0.09126%0.264CS..Hα-helixtrans-63.4-44.9174.8170.80000110.5L86 S87 S89 K90 V96 F117L86-V92 HydrophobicContact CD1-CG1 3.61Å; L86-V92 HydrophobicContact CG-CG1 4.2Å; S87-V92 WeakPolarHBondContact O-CB 3.05Å; S89-V92 PolarHBondContact O-N 3.3Å; S89-V92 WeakPolarHBondContact OG-CB 3.47Å; S89-V92 VanDerWaalsContact OG-CG2 3.22Å; S89-V92 WeakPolarHBondContact OG-CG2 2.93Å; K90-V92 PolarHBondContact O-N 3.43Å; V92-V96 WeakPolarHBondContact O-CG2 3.5Å; V92-V96 PolarHBondContact O-N 2.88Å; V92-V96 VanDerWaalsContact O-N 3.12Å; V92-F117 HydrophobicContact CG1-CZ 4.01Å
93F95.6Very high92.4Very high0 Ų046.8 Ų46.80%026%0.257CS..Hα-helixtrans-56.6-56.2177179.2-92.9000111.6S89 K90 K95 V96 A97 L114 F117 A118 L121 W140 T141S89-F93 PolarHBondContact O-N 2.94Å; K90-F93 WeakPolarHBondContact O-CB 3.32Å; K90-F93 PolarHBondContact O-N 3.39Å; F93-K95 PolarHBondContact O-N 3.43Å; F93-V96 PolarHBondContact O-N 3.36Å; F93-A97 HydrophobicContact CE1-CB 4.25Å; F93-A97 HydrophobicContact CZ-CB 4.47Å; F93-A97 WeakPolarHBondContact O-CB 3.36Å; F93-A97 PolarHBondContact O-N 3.12Å; F93-L114 HydrophobicContact CE2-CD1 4.1Å; F93-L114 HydrophobicContact CZ-CD1 3.82Å; F93-F117 HydrophobicContact CD2-CD1 4.34Å; F93-F117 HydrophobicContact CD2-CE1 4.41Å; F93-A118 HydrophobicContact CE2-CB 4.17Å; F93-L121 HydrophobicContact CB-CD1 4.02Å; F93-L121 HydrophobicContact CD2-CD1 3.99Å; F93-W140 HydrophobicContact CB-CE3 3.79Å; F93-W140 HydrophobicContact CB-CZ3 4.27Å; F93-W140 HydrophobicContact CD1-CB 3.63Å; F93-W140 HydrophobicContact CD1-CE3 4.35Å; F93-W140 HydrophobicContact CD1-CG 4.41Å; F93-W140 HydrophobicContact CE1-CB 3.67Å; F93-W140 WeakPolarHBondContact CE1-O 3.31Å; F93-W140 HydrophobicContact CG-CB 4.26Å; F93-W140 AromaticContact CG-CE3 3.99Å; F93-W140 HydrophobicContact CG-CE3 3.99Å; F93-W140 HydrophobicContact CZ-CB 4.31Å; F93-T141 WeakPolarHBondContact CE2-OG1 3.44Å; F93-T141 HydrophobicContact CZ-CG2 4.32Å; F93-T141 WeakPolarHBondContact CZ-OG1 3.44Å
94M95.8Very high92.4Very high35 Ų3546.9 Ų46.917%0.17227%0.269CS..Hα-helixtrans-63.6-41.2-176.6-69.7-59.9175.700111.8K90 V96 A97 Y98 W140 Y144K90-M94 HydrophobicContact CG-CG 4.21Å; K90-M94 WeakPolarHBondContact O-CB 3.36Å; K90-M94 WeakPolarHBondContact O-CG 3.34Å; K90-M94 PolarHBondContact O-N 3.21Å; M94-V96 PolarHBondContact O-N 3.06Å; M94-A97 PolarHBondContact O-N 2.98Å; M94-Y98 HydrophobicContact CB-CD2 4.28Å; M94-Y98 HydrophobicContact CB-CE2 3.98Å; M94-Y98 WeakPolarHBondContact O-CB 3.29Å; M94-Y98 WeakPolarHBondContact O-CD2 3.49Å; M94-Y98 PolarHBondContact O-N 2.88Å; M94-W140 HydrophobicContact CE-CB 4.26Å; M94-Y144 HydrophobicContact SD-CD2 3.86Å; M94-Y144 HydrophobicContact SD-CE2 4.5Å
95K94.2Very high92.8Very high62 Ų6249.7 Ų49.727%0.2726%0.262SS..Hα-helixtrans-59.2-47.4177.4-170.7176.5-168.1177.60111.6D91 F93 Q99 A185 M188D91-K95 WeakPolarHBondContact O-CB 3.41Å; D91-K95 PolarHBondContact O-N 3.12Å; F93-K95 PolarHBondContact O-N 3.43Å; K95-Q99 WeakPolarHBondContact O-CB 3.34Å; K95-Q99 WeakPolarHBondContact O-CG 3.34Å; K95-Q99 PolarHBondContact O-N 3.48Å; K95-A185 HydrophobicContact CD-CB 4.48Å; K95-A185 WeakPolarHBondContact CE-O 3.35Å; K95-A185 HydrophobicContact CG-CB 4.44Å; K95-A185 PolarHBondContact NZ-O 3.49Å; K95-A185 VanDerWaalsContact NZ-O 3.16Å; K95-M188 VanDerWaalsContact NZ-CB 3.25Å; K95-M188 PolarHBondContact NZ-O 3.29Å
96V95.4Very high93.2Very high2 Ų251.8 Ų51.81%0.01227%0.267CS..Hα-helixtrans-67.8-44.2178.2173.80000110.7V92 F93 M94 Y98 Q99 I100 F117 V181 L182 A185V92-V96 WeakPolarHBondContact O-CG2 3.5Å; V92-V96 PolarHBondContact O-N 2.88Å; V92-V96 VanDerWaalsContact O-N 3.12Å; F93-V96 PolarHBondContact O-N 3.36Å; M94-V96 PolarHBondContact O-N 3.06Å; V96-Y98 PolarHBondContact O-N 3.21Å; V96-Q99 PolarHBondContact O-N 3.39Å; V96-Q99 VanDerWaalsContact O-N 3.12Å; V96-I100 HydrophobicContact CG1-CD1 4.12Å; V96-I100 HydrophobicContact CG1-CG1 4.38Å; V96-I100 WeakPolarHBondContact O-CG1 3.17Å; V96-I100 PolarHBondContact O-N 2.96Å; V96-F117 HydrophobicContact CB-CD1 3.92Å; V96-F117 HydrophobicContact CB-CE1 3.44Å; V96-F117 VanDerWaalsContact CB-CE1 3.44Å; V96-F117 HydrophobicContact CB-CE2 4.5Å; V96-F117 HydrophobicContact CB-CZ 3.79Å; V96-F117 HydrophobicContact CG1-CD1 3.59Å; V96-F117 HydrophobicContact CG1-CD2 4.17Å; V96-F117 HydrophobicContact CG1-CE1 3.61Å; V96-F117 HydrophobicContact CG1-CE2 4.2Å; V96-F117 HydrophobicContact CG1-CG 3.87Å; V96-F117 HydrophobicContact CG1-CZ 3.94Å; V96-F117 HydrophobicContact CG2-CE1 3.77Å; V96-F117 HydrophobicContact CG2-CE2 4.2Å; V96-F117 HydrophobicContact CG2-CZ 3.56Å; V96-V181 HydrophobicContact CG1-CG1 4.12Å; V96-L182 HydrophobicContact CB-CD2 4.49Å; V96-L182 HydrophobicContact CG1-CD2 3.84Å; V96-L182 HydrophobicContact CG2-CD2 3.77Å; V96-A185 HydrophobicContact CG2-CB 3.79Å
97A96.1Very high93.4Very high0 Ų054.2 Ų54.20%028%0.28CS..Hα-helixtrans-56.7-47.9177.400000111.8F93 M94 Q99 I100 F101 L114 Y144F93-A97 HydrophobicContact CE1-CB 4.25Å; F93-A97 HydrophobicContact CZ-CB 4.47Å; F93-A97 WeakPolarHBondContact O-CB 3.36Å; F93-A97 PolarHBondContact O-N 3.12Å; M94-A97 PolarHBondContact O-N 2.98Å; A97-Q99 VanDerWaalsContact C-N 3.34Å; A97-Q99 PolarHBondContact O-N 3.17Å; A97-I100 PolarHBondContact O-N 3.27Å; A97-F101 WeakPolarHBondContact O-CD2 3.16Å; A97-L114 HydrophobicContact CB-CD1 3.69Å; A97-Y144 HydrophobicContact CB-CD1 4.31Å; A97-Y144 HydrophobicContact CB-CD2 3.79Å; A97-Y144 HydrophobicContact CB-CE1 4.14Å; A97-Y144 HydrophobicContact CB-CE2 3.56Å; A97-Y144 HydrophobicContact CB-CG 4.16Å; A97-Y144 PolarHBondContact O-OH 2.9Å
98Y95.4Very high93.4Very high116 Ų11653 Ų5346%0.45527%0.269SS..Hα-helixtrans-62.2-39.7175.4-70.7-49.2000112.7M94 V96 F101 S102 Y144 H148M94-Y98 HydrophobicContact CB-CD2 4.28Å; M94-Y98 HydrophobicContact CB-CE2 3.98Å; M94-Y98 WeakPolarHBondContact O-CB 3.29Å; M94-Y98 WeakPolarHBondContact O-CD2 3.49Å; M94-Y98 PolarHBondContact O-N 2.88Å; V96-Y98 PolarHBondContact O-N 3.21Å; Y98-F101 CarbonylContact O-C 3.52Å; Y98-F101 PolarHBondContact O-N 3.37Å; Y98-S102 WeakPolarHBondContact O-CA 3.29Å; Y98-S102 WeakPolarHBondContact O-CB 2.71Å; Y98-S102 PolarHBondContact O-N 3Å; Y98-Y144 WeakPolarHBondContact CA-OH 3.46Å; Y98-Y144 AromaticContact CD1-CE2 3.66Å; Y98-Y144 HydrophobicContact CD1-CE2 3.66Å; Y98-Y144 AromaticContact CD1-CZ 3.98Å; Y98-Y144 WeakPolarHBondContact CD1-OH 3.41Å; Y98-Y144 AromaticContact CE1-CE2 3.54Å; Y98-Y144 HydrophobicContact CE1-CE2 3.54Å; Y98-Y144 HydrophobicContact CG-CE2 4.34Å; Y98-H148 AromaticContact CE1-NE2 3.83Å
99Q94.7Very high93.3Very high57 Ų5752.1 Ų52.127%0.26626%0.264SS..Hα-helixtrans-66.1-37.5178.5-71.8-64.3-4700112.5K95 V96 A97 F101 S102 V181 M188K95-Q99 WeakPolarHBondContact O-CB 3.34Å; K95-Q99 WeakPolarHBondContact O-CG 3.34Å; K95-Q99 PolarHBondContact O-N 3.48Å; V96-Q99 PolarHBondContact O-N 3.39Å; V96-Q99 VanDerWaalsContact O-N 3.12Å; A97-Q99 VanDerWaalsContact C-N 3.34Å; A97-Q99 PolarHBondContact O-N 3.17Å; Q99-F101 PolarHBondContact O-N 3.21Å; Q99-S102 PolarHBondContact O-N 3.4Å; Q99-S102 PolarHBondContact O-OG 2.83Å; Q99-V181 HydrophobicContact CB-CG1 3.8Å; Q99-M188 HydrophobicContact CG-CE 3.92Å
100I95.8Very high93.3Very high0 Ų051.8 Ų51.80%026%0.258CS..Hα-helixtrans-55.5-37.2175.4-69.8171.4000111.4V96 A97 R110 A113 L114 F177 L178 V181V96-I100 HydrophobicContact CG1-CD1 4.12Å; V96-I100 HydrophobicContact CG1-CG1 4.38Å; V96-I100 WeakPolarHBondContact O-CG1 3.17Å; V96-I100 PolarHBondContact O-N 2.96Å; A97-I100 PolarHBondContact O-N 3.27Å; I100-R110 HydrophobicContact CG2-CB 3.67Å; I100-R110 HydrophobicContact CG2-CG 3.93Å; I100-R110 VanDerWaalsContact O-CD 3.32Å; I100-R110 WeakPolarHBondContact O-CD 3.48Å; I100-R110 VanDerWaalsContact O-CZ 3.24Å; I100-R110 PolarHBondContact O-NE 3.33Å; I100-R110 PolarHBondContact O-NH1 2.92Å; I100-R110 VanDerWaalsContact O-NH1 3.09Å; I100-A113 HydrophobicContact CD1-CB 4.32Å; I100-L114 HydrophobicContact CD1-CB 4.3Å; I100-L114 HydrophobicContact CD1-CD1 4.42Å; I100-F177 HydrophobicContact CG2-CE1 4.32Å; I100-F177 HydrophobicContact CG2-CZ 4.49Å; I100-L178 HydrophobicContact CD1-CD1 4.28Å; I100-L178 HydrophobicContact CG1-CD1 4.45Å; I100-V181 HydrophobicContact CG1-CG1 3.91Å
101F95.3Very high93.3Very high14 Ų1446.6 Ų46.66%0.06124%0.236CC..THydrogen-bonded Turntrans-111.514.8-174.9-59.7-82000113.9A97 Y98 Q99 D103 G104 F106 R110 L114 Y144 V149A97-F101 WeakPolarHBondContact O-CD2 3.16Å; Y98-F101 CarbonylContact O-C 3.52Å; Y98-F101 PolarHBondContact O-N 3.37Å; Q99-F101 PolarHBondContact O-N 3.21Å; F101-D103 VanDerWaalsContact C-N 3.29Å; F101-D103 PolarHBondContact O-N 2.81Å; F101-G104 PolarHBondContact O-N 2.86Å; F101-F106 AromaticContact CD1-CD1 3.58Å; F101-F106 HydrophobicContact CD1-CD1 3.58Å; F101-F106 AromaticContact CD1-CE1 3.69Å; F101-F106 HydrophobicContact CD1-CE1 3.69Å; F101-F106 HydrophobicContact CD1-CG 4.38Å; F101-F106 AromaticContact CE1-CD1 3.78Å; F101-F106 HydrophobicContact CE1-CD1 3.78Å; F101-F106 HydrophobicContact CE1-CE1 4.19Å; F101-F106 HydrophobicContact CG-CE1 4.25Å; F101-R110 HydrophobicContact CD1-CB 4.21Å; F101-R110 HydrophobicContact CE1-CB 3.51Å; F101-R110 HydrophobicContact CZ-CB 3.83Å; F101-L114 HydrophobicContact CE2-CB 4.49Å; F101-L114 HydrophobicContact CE2-CD2 4.32Å; F101-Y144 AromaticContact CD2-CE1 3.83Å; F101-Y144 HydrophobicContact CD2-CE1 3.83Å; F101-Y144 HydrophobicContact CE2-CE1 4.03Å; F101-V149 HydrophobicContact CE2-CG2 4.37Å; F101-V149 HydrophobicContact CZ-CG2 4.19Å
102S92.8Very high93.3Very high83 Ų8340.4 Ų40.458%0.5820%0.203SC*.THydrogen-bonded Turntrans-63.5-27-168.854.30000115.3Y98 Q99 G104Y98-S102 WeakPolarHBondContact O-CA 3.29Å; Y98-S102 WeakPolarHBondContact O-CB 2.71Å; Y98-S102 PolarHBondContact O-N 3Å; Q99-S102 PolarHBondContact O-N 3.4Å; Q99-S102 PolarHBondContact O-OG 2.83Å; S102-G104 VanDerWaalsContact C-N 3.29Å
103D91.4Very high93.3Very high82 Ų8239.7 Ų39.744%0.43920%0.198SC..THydrogen-bonded Turntrans-87.45.6177.470.43.6000113.6F101 R105 R110F101-D103 VanDerWaalsContact C-N 3.29Å; F101-D103 PolarHBondContact O-N 2.81Å; D103-R105 PolarHBondContact O-N 3.22Å; D103-R105 VanDerWaalsContact OD1-CB 3.27Å; D103-R105 WeakPolarHBondContact OD1-CB 3.44Å; D103-R105 WeakPolarHBondContact OD1-CG 3.18Å; D103-R105 PolarHBondContact OD1-N 3.34Å; D103-R110 VanDerWaalsContact CG-NH2 3.3Å; D103-R110 IonicContact OD1-CZ 3.33Å; D103-R110 IonicContact OD1-NH1 2.61Å; D103-R110 PolarHBondContact OD1-NH1 3.46Å; D103-R110 IonicContact OD1-NH2 3.2Å; D103-R110 PolarHBondContact OD1-NH2 3.17Å; D103-R110 IonicContact OD2-CZ 3.64Å; D103-R110 IonicContact OD2-NH1 3.69Å; D103-R110 IonicContact OD2-NH2 2.72Å; D103-R110 PolarHBondContact OD2-NH2 2.96Å
104G90.8Very high93.4Very high51 Ų5139.7 Ų39.753%0.52620%0.198SC..SBendtrans73.46.1-179.100000115.2F101 S102 F106F101-G104 PolarHBondContact O-N 2.86Å; S102-G104 VanDerWaalsContact C-N 3.29Å; G104-F106 WeakPolarHBondContact O-CD2 3.22Å; G104-F106 WeakPolarHBondContact O-CE2 3.46Å
105R91.6Very high93.4Very high174 Ų17438 Ų3866%0.65719%0.19SC*.  trans-90.2133.5178.8-59.3-179.2176.4-171.5-0.9111.4D103 R110D103-R105 PolarHBondContact O-N 3.22Å; D103-R105 VanDerWaalsContact OD1-CB 3.27Å; D103-R105 WeakPolarHBondContact OD1-CB 3.44Å; D103-R105 WeakPolarHBondContact OD1-CG 3.18Å; D103-R105 PolarHBondContact OD1-N 3.34Å; R105-R110 WeakPolarHBondContact O-CD 3.43Å; R105-R110 PolarHBondContact O-NH1 3.39Å
106F93.1Very high93.5Very high71 Ų7135.1 Ų35.131%0.31118%0.178SC..  trans-115.6134.6176.8-62.5-95.3000110.2F101 G104 H148 V149 W152F101-F106 AromaticContact CD1-CD1 3.58Å; F101-F106 HydrophobicContact CD1-CD1 3.58Å; F101-F106 AromaticContact CD1-CE1 3.69Å; F101-F106 HydrophobicContact CD1-CE1 3.69Å; F101-F106 HydrophobicContact CD1-CG 4.38Å; F101-F106 AromaticContact CE1-CD1 3.78Å; F101-F106 HydrophobicContact CE1-CD1 3.78Å; F101-F106 HydrophobicContact CE1-CE1 4.19Å; F101-F106 HydrophobicContact CG-CE1 4.25Å; G104-F106 WeakPolarHBondContact O-CD2 3.22Å; G104-F106 WeakPolarHBondContact O-CE2 3.46Å; F106-H148 WeakPolarHBondContact CE1-O 3.43Å; F106-V149 HydrophobicContact CD1-CG1 4.34Å; F106-V149 HydrophobicContact CE1-CG2 4.28Å; F106-W152 HydrophobicContact CB-CB 4.12Å; F106-W152 HydrophobicContact CB-CD2 3.53Å; F106-W152 HydrophobicContact CB-CE3 4.23Å; F106-W152 HydrophobicContact CB-CG 3.42Å; F106-W152 VanDerWaalsContact CB-CG 3.42Å; F106-W152 HydrophobicContact CD1-CB 4.42Å; F106-W152 HydrophobicContact CG-CB 4.21Å; F106-W152 HydrophobicContact CG-CD2 4.47Å; F106-W152 HydrophobicContact CG-CG 4.03Å
107N90.9Very high93.5Very high54 Ų5435 Ų3529%0.28918%0.177SC..  trans-157.1162.5172.861.869.9000109.2G109 R110 V111 W152N107-G109 VanDerWaalsContact C-N 3.3Å; N107-G109 PolarHBondContact O-N 3.27Å; N107-G109 WeakPolarHBondContact OD1-CA 3.46Å; N107-G109 PolarHBondContact OD1-N 2.95Å; N107-G109 VanDerWaalsContact OD1-N 3.1Å; N107-R110 PolarHBondContact O-N 3.45Å; N107-R110 VanDerWaalsContact O-N 3.14Å; N107-R110 PolarHBondContact OD1-N 3.11Å; N107-V111 PolarHBondContact O-N 3.29Å; N107-W152 VanDerWaalsContact C-CH2 3.45Å; N107-W152 VanDerWaalsContact CA-CZ2 3.49Å
108W90.1Very high93.5Very high8 Ų835 Ų353%0.0318%0.177CC..Hα-helixtrans-60.4-37.4-178-73.2114.3000113.1R110 V111 V112 W152 I153 Q156 G158 W159 G161 I162 Y165W108-R110 VanDerWaalsContact C-N 3.27Å; W108-R110 PolarHBondContact O-N 2.95Å; W108-V111 HydrophobicContact CE3-CB 4.26Å; W108-V111 HydrophobicContact CE3-CG1 4.46Å; W108-V111 HydrophobicContact CE3-CG2 4.35Å; W108-V111 HydrophobicContact CZ3-CG1 4.46Å; W108-V111 WeakPolarHBondContact O-CB 3.49Å; W108-V111 PolarHBondContact O-N 3.49Å; W108-V111 VanDerWaalsContact O-N 3.1Å; W108-V112 VanDerWaalsContact O-CG2 3.32Å; W108-V112 WeakPolarHBondContact O-CG2 3.35Å; W108-V112 PolarHBondContact O-N 3.25Å; W108-W152 HydrophobicContact CB-CH2 4.48Å; W108-W152 AromaticContact CD1-CH2 3.79Å; W108-W152 AromaticContact CD2-CH2 3.66Å; W108-W152 HydrophobicContact CD2-CH2 3.66Å; W108-W152 AromaticContact CD2-CZ3 3.9Å; W108-W152 HydrophobicContact CD2-CZ3 3.9Å; W108-W152 AromaticContact CE2-CH2 3.68Å; W108-W152 AromaticContact CE2-CZ3 3.99Å; W108-W152 HydrophobicContact CE3-CH2 4.24Å; W108-W152 HydrophobicContact CE3-CZ3 4.02Å; W108-W152 AromaticContact CG-CH2 3.77Å; W108-W152 HydrophobicContact CG-CH2 3.77Å; W108-W152 HydrophobicContact CG-CZ3 4.43Å; W108-W152 HydrophobicContact CH2-CZ3 4.34Å; W108-W152 HydrophobicContact CZ2-CH2 4.3Å; W108-W152 HydrophobicContact CZ2-CZ3 4.23Å; W108-W152 HydrophobicContact CZ3-CZ3 4.22Å; W108-W152 AromaticContact NE1-CH2 3.72Å; W108-I153 HydrophobicContact CH2-CB 4.45Å; W108-I153 HydrophobicContact CH2-CG1 4.09Å; W108-I153 HydrophobicContact CH2-CG2 3.86Å; W108-I153 HydrophobicContact CZ3-CD1 4.48Å; W108-I153 HydrophobicContact CZ3-CG1 4.26Å; W108-Q156 HydrophobicContact CZ2-CB 3.97Å; W108-Q156 HydrophobicContact CZ2-CG 4.25Å; W108-G158 WeakPolarHBondContact CZ2-O 3.47Å; W108-W159 HydrophobicContact CH2-CD2 4.38Å; W108-W159 AromaticContact CH2-CE3 4Å; W108-W159 HydrophobicContact CH2-CE3 4Å; W108-W159 HydrophobicContact CZ3-CD2 4.31Å; W108-W159 AromaticContact CZ3-CE3 3.53Å; W108-W159 HydrophobicContact CZ3-CE3 3.53Å; W108-W159 AromaticContact CZ3-CZ3 3.7Å; W108-W159 HydrophobicContact CZ3-CZ3 3.7Å; W108-G161 VanDerWaalsContact CE2-C 3.48Å; W108-G161 PolarHBondContact NE1-O 2.66Å; W108-G161 VanDerWaalsContact NE1-O 3.14Å; W108-I162 HydrophobicContact CB-CG1 3.98Å; W108-I162 HydrophobicContact CD2-CB 3.81Å; W108-I162 HydrophobicContact CD2-CG1 3.76Å; W108-I162 VanDerWaalsContact CE2-N 3.3Å; W108-I162 HydrophobicContact CE3-CB 3.91Å; W108-I162 HydrophobicContact CE3-CD1 4.19Å; W108-I162 HydrophobicContact CE3-CG1 3.72Å; W108-I162 HydrophobicContact CG-CB 4.2Å; W108-I162 HydrophobicContact CG-CG1 3.89Å; W108-I162 HydrophobicContact CZ2-CB 4.47Å; W108-I162 HydrophobicContact CZ3-CB 4.3Å; W108-I162 HydrophobicContact CZ3-CG1 4.46Å; W108-Y165 HydrophobicContact CB-CD1 3.77Å; W108-Y165 HydrophobicContact CB-CD2 4.06Å; W108-Y165 HydrophobicContact CB-CE1 4.37Å; W108-Y165 HydrophobicContact CB-CG 3.61Å; W108-Y165 HydrophobicContact CG-CG 4.39Å
109G89.6Confident93.5Very high0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-53.9-43.417500000112.7N107 V112 A113 Y165 L174N107-G109 VanDerWaalsContact C-N 3.3Å; N107-G109 PolarHBondContact O-N 3.27Å; N107-G109 WeakPolarHBondContact OD1-CA 3.46Å; N107-G109 PolarHBondContact OD1-N 2.95Å; N107-G109 VanDerWaalsContact OD1-N 3.1Å; G109-V112 PolarHBondContact O-N 3.04Å; G109-A113 WeakPolarHBondContact O-CB 3.34Å; G109-A113 PolarHBondContact O-N 3.43Å; G109-Y165 WeakPolarHBondContact CA-OH 3.45Å; G109-L174 VanDerWaalsContact O-CD1 3.28Å; G109-L174 WeakPolarHBondContact O-CD1 3.48Å
110R92.7Very high93.4Very high21 Ų2127.8 Ų27.88%0.07915%0.146CC..Hα-helixtrans-68.1-37.9176.8-71-178.7175.8-162.6-0.7113.6I100 F101 D103 R105 N107 W108 V112 A113 L114 F177I100-R110 HydrophobicContact CG2-CB 3.67Å; I100-R110 HydrophobicContact CG2-CG 3.93Å; I100-R110 VanDerWaalsContact O-CD 3.32Å; I100-R110 WeakPolarHBondContact O-CD 3.48Å; I100-R110 VanDerWaalsContact O-CZ 3.24Å; I100-R110 PolarHBondContact O-NE 3.33Å; I100-R110 PolarHBondContact O-NH1 2.92Å; I100-R110 VanDerWaalsContact O-NH1 3.09Å; F101-R110 HydrophobicContact CD1-CB 4.21Å; F101-R110 HydrophobicContact CE1-CB 3.51Å; F101-R110 HydrophobicContact CZ-CB 3.83Å; D103-R110 VanDerWaalsContact CG-NH2 3.3Å; D103-R110 IonicContact OD1-CZ 3.33Å; D103-R110 IonicContact OD1-NH1 2.61Å; D103-R110 PolarHBondContact OD1-NH1 3.46Å; D103-R110 IonicContact OD1-NH2 3.2Å; D103-R110 PolarHBondContact OD1-NH2 3.17Å; D103-R110 IonicContact OD2-CZ 3.64Å; D103-R110 IonicContact OD2-NH1 3.69Å; D103-R110 IonicContact OD2-NH2 2.72Å; D103-R110 PolarHBondContact OD2-NH2 2.96Å; R105-R110 WeakPolarHBondContact O-CD 3.43Å; R105-R110 PolarHBondContact O-NH1 3.39Å; N107-R110 PolarHBondContact O-N 3.45Å; N107-R110 VanDerWaalsContact O-N 3.14Å; N107-R110 PolarHBondContact OD1-N 3.11Å; W108-R110 VanDerWaalsContact C-N 3.27Å; W108-R110 PolarHBondContact O-N 2.95Å; R110-V112 VanDerWaalsContact C-N 3.32Å; R110-A113 PolarHBondContact O-N 3Å; R110-L114 PolarHBondContact O-N 3.37Å; R110-F177 HydrophobicContact CG-CE1 3.97Å; R110-F177 HydrophobicContact CG-CZ 4.05Å
111V93.5Very high93.4Very high2 Ų227.8 Ų27.81%0.01215%0.146CC..Hα-helixtrans-62-43.3172.9-178.20000110.3N107 W108 L114 F115 L145 V149 W152 W159N107-V111 PolarHBondContact O-N 3.29Å; W108-V111 HydrophobicContact CE3-CB 4.26Å; W108-V111 HydrophobicContact CE3-CG1 4.46Å; W108-V111 HydrophobicContact CE3-CG2 4.35Å; W108-V111 HydrophobicContact CZ3-CG1 4.46Å; W108-V111 WeakPolarHBondContact O-CB 3.49Å; W108-V111 PolarHBondContact O-N 3.49Å; W108-V111 VanDerWaalsContact O-N 3.1Å; V111-L114 WeakPolarHBondContact O-CB 3.28Å; V111-L114 PolarHBondContact O-N 2.94Å; V111-F115 HydrophobicContact CG1-CE1 4.33Å; V111-F115 WeakPolarHBondContact O-CD1 3.33Å; V111-F115 PolarHBondContact O-N 3.44Å; V111-F115 VanDerWaalsContact O-N 3.09Å; V111-L145 HydrophobicContact CG1-CD1 4.41Å; V111-V149 HydrophobicContact CG2-CG1 3.89Å; V111-W152 HydrophobicContact CG2-CE3 4.35Å; V111-W152 HydrophobicContact CG2-CZ3 3.84Å; V111-W159 HydrophobicContact CG1-CH2 3.84Å; V111-W159 HydrophobicContact CG1-CZ3 3.87Å
112V91.8Very high93.3Very high1 Ų127.1 Ų27.11%0.00614%0.143CC..Hα-helixtrans-65.9-39.9176.2-179.90000111.6L64 I67 W108 G109 R110 L114 F115 Y116 I162 L174L64-V112 HydrophobicContact CD2-CG1 4.39Å; L64-V112 HydrophobicContact CD2-CG2 3.61Å; I67-V112 HydrophobicContact CB-CG1 3.96Å; I67-V112 HydrophobicContact CD1-CB 4.46Å; I67-V112 HydrophobicContact CD1-CG1 4.11Å; I67-V112 HydrophobicContact CD1-CG2 4.08Å; I67-V112 HydrophobicContact CG2-CB 4.49Å; I67-V112 HydrophobicContact CG2-CG1 3.44Å; I67-V112 VanDerWaalsContact CG2-CG1 3.44Å; W108-V112 VanDerWaalsContact O-CG2 3.32Å; W108-V112 WeakPolarHBondContact O-CG2 3.35Å; W108-V112 PolarHBondContact O-N 3.25Å; G109-V112 PolarHBondContact O-N 3.04Å; R110-V112 VanDerWaalsContact C-N 3.32Å; V112-L114 VanDerWaalsContact C-N 3.3Å; V112-L114 PolarHBondContact O-N 3.24Å; V112-F115 PolarHBondContact O-N 2.94Å; V112-Y116 WeakPolarHBondContact O-CB 3.44Å; V112-Y116 PolarHBondContact O-N 3.32Å; V112-I162 HydrophobicContact CG2-CD1 3.99Å; V112-L174 HydrophobicContact CB-CD2 4.39Å; V112-L174 HydrophobicContact CG1-CD2 4.4Å
113A93.6Very high93.1Very high0 Ų024.4 Ų24.40%012%0.122CC..Hα-helixtrans-60.6-38.8175.100000112.3I100 G109 R110 F117 L174 L178I100-A113 HydrophobicContact CD1-CB 4.32Å; G109-A113 WeakPolarHBondContact O-CB 3.34Å; G109-A113 PolarHBondContact O-N 3.43Å; R110-A113 PolarHBondContact O-N 3Å; A113-F117 WeakPolarHBondContact O-CB 3.14Å; A113-F117 PolarHBondContact O-N 3.27Å; A113-L174 HydrophobicContact CB-CD1 4.23Å; A113-L178 HydrophobicContact CB-CD1 4.18Å; A113-L178 HydrophobicContact CB-CD2 4.14Å
114L96.7Very high93.1Very high0 Ų022.2 Ų22.20%011%0.109CC..Hα-helixtrans-63.2-46.9173.6-178.167000111.4F93 A97 I100 F101 R110 V111 V112 F117 A118 T141 Y144F93-L114 HydrophobicContact CE2-CD1 4.1Å; F93-L114 HydrophobicContact CZ-CD1 3.82Å; A97-L114 HydrophobicContact CB-CD1 3.69Å; I100-L114 HydrophobicContact CD1-CB 4.3Å; I100-L114 HydrophobicContact CD1-CD1 4.42Å; F101-L114 HydrophobicContact CE2-CB 4.49Å; F101-L114 HydrophobicContact CE2-CD2 4.32Å; R110-L114 PolarHBondContact O-N 3.37Å; V111-L114 WeakPolarHBondContact O-CB 3.28Å; V111-L114 PolarHBondContact O-N 2.94Å; V112-L114 VanDerWaalsContact C-N 3.3Å; V112-L114 PolarHBondContact O-N 3.24Å; L114-F117 PolarHBondContact O-N 3.27Å; L114-A118 WeakPolarHBondContact O-CB 3.22Å; L114-A118 PolarHBondContact O-N 3.4Å; L114-T141 HydrophobicContact CD2-CG2 4.31Å; L114-T141 HydrophobicContact CG-CG2 4.18Å; L114-Y144 HydrophobicContact CD2-CD1 3.96Å
115F96.3Very high93Very high1 Ų119.8 Ų19.80%0.0048%0.084CC..Hα-helixtrans-61.6-44.7177.4-84.633.5000111.6L23 L24 L64 V111 V112 A118 C119 T141 W159L23-F115 HydrophobicContact CB-CE2 4.22Å; L24-F115 HydrophobicContact CB-CD2 4.14Å; L24-F115 HydrophobicContact CB-CE2 3.78Å; L24-F115 HydrophobicContact CB-CZ 4.01Å; L24-F115 HydrophobicContact CD1-CB 4.09Å; L24-F115 HydrophobicContact CD1-CD1 4.2Å; L24-F115 HydrophobicContact CD1-CD2 3.94Å; L24-F115 HydrophobicContact CD1-CE2 4.4Å; L24-F115 HydrophobicContact CD1-CG 3.82Å; L64-F115 HydrophobicContact CD1-CD2 4.33Å; L64-F115 HydrophobicContact CD1-CE2 4.44Å; V111-F115 HydrophobicContact CG1-CE1 4.33Å; V111-F115 WeakPolarHBondContact O-CD1 3.33Å; V111-F115 PolarHBondContact O-N 3.44Å; V111-F115 VanDerWaalsContact O-N 3.09Å; V112-F115 PolarHBondContact O-N 2.94Å; F115-A118 PolarHBondContact O-N 3.43Å; F115-C119 WeakPolarHBondContact O-CB 3.35Å; F115-C119 PolarHBondContact O-N 3.47Å; F115-T141 HydrophobicContact CD1-CG2 4.31Å; F115-T141 HydrophobicContact CE1-CG2 4.42Å; F115-W159 HydrophobicContact CE1-CH2 4.04Å; F115-W159 HydrophobicContact CE2-CH2 4.18Å; F115-W159 HydrophobicContact CE2-CZ3 4.38Å; F115-W159 AromaticContact CZ-CH2 3.47Å; F115-W159 HydrophobicContact CZ-CH2 3.47Å; F115-W159 VanDerWaalsContact CZ-CH2 3.47Å; F115-W159 HydrophobicContact CZ-CZ2 4.25Å; F115-W159 HydrophobicContact CZ-CZ3 4.09Å
116Y95.3Very high92.8Very high0 Ų012.9 Ų12.90%06%0.06CC..Hα-helixtrans-59.8-47.3176.3-175.9-96.3000111.3F27 L71 D72 L77 Q78 I81 V112 A118 C119 R120 L178F27-Y116 HydrophobicContact CZ-CD2 4.26Å; L71-Y116 HydrophobicContact CB-CD1 4.33Å; L71-Y116 HydrophobicContact CB-CD2 3.9Å; L71-Y116 HydrophobicContact CB-CE1 4.04Å; L71-Y116 HydrophobicContact CB-CE2 3.57Å; L71-Y116 HydrophobicContact CB-CG 4.27Å; L71-Y116 HydrophobicContact CD1-CD1 3.92Å; L71-Y116 HydrophobicContact CD1-CD2 3.62Å; L71-Y116 HydrophobicContact CD1-CE1 4.47Å; L71-Y116 HydrophobicContact CD1-CE2 4.2Å; L71-Y116 HydrophobicContact CD1-CG 3.46Å; L71-Y116 VanDerWaalsContact CD1-CG 3.46Å; L71-Y116 HydrophobicContact CG-CD2 4.41Å; D72-Y116 WeakPolarHBondContact OD1-CE2 3.37Å; D72-Y116 VanDerWaalsContact OD1-CZ 3.3Å; D72-Y116 PolarHBondContact OD1-OH 3.29Å; L77-Y116 HydrophobicContact CD2-CD1 4.48Å; L77-Y116 HydrophobicContact CD2-CE1 3.88Å; L77-Y116 HydrophobicContact CG-CE1 4.36Å; Q78-Y116 PolarHBondContact NE2-OH 2.86Å; I81-Y116 HydrophobicContact CD1-CE1 3.63Å; V112-Y116 WeakPolarHBondContact O-CB 3.44Å; V112-Y116 PolarHBondContact O-N 3.32Å; Y116-A118 PolarHBondContact O-N 3.29Å; Y116-C119 WeakPolarHBondContact O-CB 3.29Å; Y116-C119 PolarHBondContact O-N 3.42Å; Y116-R120 HydrophobicContact CD1-CG 4.16Å; Y116-R120 HydrophobicContact CE1-CG 3.77Å; Y116-R120 WeakPolarHBondContact O-CG 3.49Å; Y116-R120 PolarHBondContact O-N 3.45Å; Y116-R120 PolarHBondContact OH-NH1 3.31Å; Y116-L178 HydrophobicContact CD1-CD2 3.73Å; Y116-L178 HydrophobicContact CE1-CD2 4.41Å
117F96.1Very high92.4Very high0 Ų014.5 Ų14.50%08%0.075CC..Hα-helixtrans-63.1-43.7178.7-176.1-114.6000112.5L86 V92 F93 V96 A113 L114 C119 R120 L121 L182L86-F117 HydrophobicContact CD1-CE2 4.01Å; L86-F117 HydrophobicContact CD1-CZ 4.04Å; L86-F117 HydrophobicContact CD2-CE2 3.84Å; L86-F117 HydrophobicContact CD2-CZ 4.44Å; L86-F117 HydrophobicContact CG-CE2 4.43Å; V92-F117 HydrophobicContact CG1-CZ 4.01Å; F93-F117 HydrophobicContact CD2-CD1 4.34Å; F93-F117 HydrophobicContact CD2-CE1 4.41Å; V96-F117 HydrophobicContact CB-CD1 3.92Å; V96-F117 HydrophobicContact CB-CE1 3.44Å; V96-F117 VanDerWaalsContact CB-CE1 3.44Å; V96-F117 HydrophobicContact CB-CE2 4.5Å; V96-F117 HydrophobicContact CB-CZ 3.79Å; V96-F117 HydrophobicContact CG1-CD1 3.59Å; V96-F117 HydrophobicContact CG1-CD2 4.17Å; V96-F117 HydrophobicContact CG1-CE1 3.61Å; V96-F117 HydrophobicContact CG1-CE2 4.2Å; V96-F117 HydrophobicContact CG1-CG 3.87Å; V96-F117 HydrophobicContact CG1-CZ 3.94Å; V96-F117 HydrophobicContact CG2-CE1 3.77Å; V96-F117 HydrophobicContact CG2-CE2 4.2Å; V96-F117 HydrophobicContact CG2-CZ 3.56Å; A113-F117 WeakPolarHBondContact O-CB 3.14Å; A113-F117 PolarHBondContact O-N 3.27Å; L114-F117 PolarHBondContact O-N 3.27Å; F117-C119 VanDerWaalsContact C-N 3.34Å; F117-C119 PolarHBondContact O-N 3.33Å; F117-R120 PolarHBondContact O-N 3.2Å; F117-L121 HydrophobicContact CD1-CD1 4.36Å; F117-L121 HydrophobicContact CE1-CD1 3.77Å; F117-L121 HydrophobicContact CE1-CG 4.14Å; F117-L121 HydrophobicContact CE2-CD2 4.24Å; F117-L121 HydrophobicContact CE2-CG 4.42Å; F117-L121 HydrophobicContact CZ-CD1 4.04Å; F117-L121 HydrophobicContact CZ-CD2 3.95Å; F117-L121 HydrophobicContact CZ-CG 4.06Å; F117-L121 PolarHBondContact O-N 3Å; F117-L182 HydrophobicContact CD2-CD2 3.82Å; F117-L182 HydrophobicContact CE2-CD2 3.48Å; F117-L182 VanDerWaalsContact CE2-CD2 3.48Å; F117-L182 HydrophobicContact CZ-CD2 4.19Å
118A96.7Very high92.2Very high0 Ų015.3 Ų15.30%08%0.082CC..Hα-helixtrans-57.6-46.1173.900000111.9L24 F93 L114 F115 Y116 R120 L121 V122 I137 T141L24-A118 HydrophobicContact CD1-CB 4.35Å; F93-A118 HydrophobicContact CE2-CB 4.17Å; L114-A118 WeakPolarHBondContact O-CB 3.22Å; L114-A118 PolarHBondContact O-N 3.4Å; F115-A118 PolarHBondContact O-N 3.43Å; Y116-A118 PolarHBondContact O-N 3.29Å; A118-R120 VanDerWaalsContact C-N 3.29Å; A118-R120 PolarHBondContact O-N 2.7Å; A118-L121 PolarHBondContact O-N 2.86Å; A118-V122 PolarHBondContact O-N 2.99Å; A118-I137 HydrophobicContact CB-CG2 4.28Å; A118-T141 HydrophobicContact CB-CG2 4.11Å; A118-T141 VanDerWaalsContact CB-OG1 3.24Å; A118-T141 WeakPolarHBondContact CB-OG1 3.41Å
119C95.2Very high92Very high0 Ų023.7 Ų23.70%012%0.119CC..Hα-helixtrans-57.2-43175.5176.90000112.1F27 I28 F115 Y116 F117 L121 V122 I123F27-C119 HydrophobicContact CD1-CB 4.05Å; F27-C119 HydrophobicContact CE1-CB 3.76Å; I28-C119 HydrophobicContact CG1-CB 3.81Å; F115-C119 WeakPolarHBondContact O-CB 3.35Å; F115-C119 PolarHBondContact O-N 3.47Å; Y116-C119 WeakPolarHBondContact O-CB 3.29Å; Y116-C119 PolarHBondContact O-N 3.42Å; F117-C119 VanDerWaalsContact C-N 3.34Å; F117-C119 PolarHBondContact O-N 3.33Å; C119-L121 PolarHBondContact O-N 3.16Å; C119-V122 WeakPolarHBondContact O-CB 3.48Å; C119-V122 PolarHBondContact O-N 2.98Å; C119-I123 WeakPolarHBondContact O-CG1 3.33Å; C119-I123 PolarHBondContact O-N 3.38Å
120R93.4Very high91.8Very high21 Ų2127.1 Ų27.18%0.07914%0.137CC..Hα-helixtrans-68.1-34.8178.8-68.1-62.4-58-89.37.6113.4Q78 I81 N82 Y116 F117 A118 K124Q78-R120 VanDerWaalsContact OE1-CZ 3.3Å; Q78-R120 VanDerWaalsContact OE1-NH2 3.15Å; I81-R120 HydrophobicContact CD1-CG 4.11Å; I81-R120 HydrophobicContact CG2-CB 3.78Å; I81-R120 HydrophobicContact CG2-CG 4.16Å; N82-R120 PolarHBondContact OD1-NH2 3.12Å; N82-R120 VanDerWaalsContact OD1-NH2 3.11Å; Y116-R120 HydrophobicContact CD1-CG 4.16Å; Y116-R120 HydrophobicContact CE1-CG 3.77Å; Y116-R120 WeakPolarHBondContact O-CG 3.49Å; Y116-R120 PolarHBondContact O-N 3.45Å; Y116-R120 PolarHBondContact OH-NH1 3.31Å; F117-R120 PolarHBondContact O-N 3.2Å; A118-R120 VanDerWaalsContact C-N 3.29Å; A118-R120 PolarHBondContact O-N 2.7Å; R120-K124 WeakPolarHBondContact O-CB 3.42Å; R120-K124 PolarHBondContact O-N 2.9Å
121L94.1Very high91.1Very high0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-65.9-38.6170.8-65.9-172.8000111.8L86 P88 F93 F117 A118 C119 K124 A125 I137L86-L121 HydrophobicContact CD2-CD2 4.18Å; L86-L121 HydrophobicContact CG-CD2 4.34Å; P88-L121 HydrophobicContact CB-CB 4.43Å; F93-L121 HydrophobicContact CB-CD1 4.02Å; F93-L121 HydrophobicContact CD2-CD1 3.99Å; F117-L121 HydrophobicContact CD1-CD1 4.36Å; F117-L121 HydrophobicContact CE1-CD1 3.77Å; F117-L121 HydrophobicContact CE1-CG 4.14Å; F117-L121 HydrophobicContact CE2-CD2 4.24Å; F117-L121 HydrophobicContact CE2-CG 4.42Å; F117-L121 HydrophobicContact CZ-CD1 4.04Å; F117-L121 HydrophobicContact CZ-CD2 3.95Å; F117-L121 HydrophobicContact CZ-CG 4.06Å; F117-L121 PolarHBondContact O-N 3Å; A118-L121 PolarHBondContact O-N 2.86Å; C119-L121 PolarHBondContact O-N 3.16Å; L121-K124 PolarHBondContact O-N 3.49Å; L121-A125 WeakPolarHBondContact O-CB 3.26Å; L121-A125 PolarHBondContact O-N 3.22Å; L121-I137 HydrophobicContact CB-CD1 3.92Å; L121-I137 HydrophobicContact CB-CG2 4.2Å
122V93.1Very high90.7Very high0 Ų036.5 Ų36.50%019%0.192CC..Hα-helixtrans-63.5-48174.9168.20000111.3I28 I32 L47 A118 C119 K124 A125 L126 I134 I137I28-V122 HydrophobicContact CD1-CG2 4.23Å; I28-V122 HydrophobicContact CG2-CB 4.22Å; I28-V122 HydrophobicContact CG2-CG1 3.72Å; I32-V122 HydrophobicContact CD1-CG1 3.97Å; L47-V122 HydrophobicContact CD2-CG1 4.44Å; A118-V122 PolarHBondContact O-N 2.99Å; C119-V122 WeakPolarHBondContact O-CB 3.48Å; C119-V122 PolarHBondContact O-N 2.98Å; V122-K124 VanDerWaalsContact C-N 3.26Å; V122-K124 PolarHBondContact O-N 3.43Å; V122-A125 WeakPolarHBondContact O-CB 3.48Å; V122-A125 PolarHBondContact O-N 3.02Å; V122-L126 HydrophobicContact CG1-CD1 4.32Å; V122-L126 WeakPolarHBondContact O-CG 3.16Å; V122-L126 PolarHBondContact O-N 3.42Å; V122-I134 HydrophobicContact CG1-CB 4.47Å; V122-I134 HydrophobicContact CG1-CD1 4.44Å; V122-I134 HydrophobicContact CG1-CG1 4.11Å; V122-I134 HydrophobicContact CG1-CG2 3.74Å; V122-I134 HydrophobicContact CG2-CG2 4.16Å; V122-I137 HydrophobicContact CG2-CB 4.01Å; V122-I137 HydrophobicContact CG2-CD1 4.06Å; V122-I137 HydrophobicContact CG2-CG2 3.86Å
123I89.8Confident90.6Very high26 Ų2638.2 Ų38.213%0.13320%0.201CC..Hα-helixtrans-58.7-42.8176-69.4167.9000110.2I32 V36 C119 A125 L126 V127I32-I123 HydrophobicContact CG1-CG1 3.91Å; V36-I123 HydrophobicContact CG2-CG1 4.46Å; V36-I123 HydrophobicContact CG2-CG2 4.1Å; C119-I123 WeakPolarHBondContact O-CG1 3.33Å; C119-I123 PolarHBondContact O-N 3.38Å; I123-A125 PolarHBondContact O-N 3.06Å; I123-L126 WeakPolarHBondContact O-CB 3.43Å; I123-L126 PolarHBondContact O-N 2.89Å; I123-V127 WeakPolarHBondContact O-CG2 3.35Å; I123-V127 PolarHBondContact O-N 3.4Å
124K89.9Confident90.5Very high37 Ų3738.7 Ų38.716%0.16120%0.203CC..Hα-helixtrans-63.2-43.6177.3-163.3165.6-166.71700112I81 D83 L86 R120 L121 V122 L126 V127 T128I81-K124 PolarHBondContact O-NZ 2.82Å; D83-K124 PolarHBondContact O-NZ 3.01Å; L86-K124 VanDerWaalsContact O-CD 3.27Å; L86-K124 WeakPolarHBondContact O-CD 3.48Å; L86-K124 WeakPolarHBondContact O-CE 3.49Å; L86-K124 PolarHBondContact O-NZ 2.68Å; R120-K124 WeakPolarHBondContact O-CB 3.42Å; R120-K124 PolarHBondContact O-N 2.9Å; L121-K124 PolarHBondContact O-N 3.49Å; V122-K124 VanDerWaalsContact C-N 3.26Å; V122-K124 PolarHBondContact O-N 3.43Å; K124-L126 VanDerWaalsContact C-N 3.28Å; K124-L126 PolarHBondContact O-N 3.3Å; K124-V127 PolarHBondContact O-N 3.04Å; K124-T128 HydrophobicContact CG-CG2 4.36Å; K124-T128 WeakPolarHBondContact O-CG2 3.04Å; K124-T128 PolarHBondContact O-N 2.94Å; K124-T128 PolarHBondContact O-OG1 3.41Å
125A89.9Confident90.2Very high0 Ų044.8 Ų44.80%023%0.226CC..Hα-helixtrans-57.9-39.5175.700000112.6P88 L121 V122 I123 T128 K129 I130 I133 I134 I137P88-A125 HydrophobicContact CB-CB 4.18Å; P88-A125 HydrophobicContact CG-CB 4.34Å; L121-A125 WeakPolarHBondContact O-CB 3.26Å; L121-A125 PolarHBondContact O-N 3.22Å; V122-A125 WeakPolarHBondContact O-CB 3.48Å; V122-A125 PolarHBondContact O-N 3.02Å; I123-A125 PolarHBondContact O-N 3.06Å; A125-T128 CarbonylContact O-C 3.58Å; A125-T128 PolarHBondContact O-OG1 2.85Å; A125-K129 PolarHBondContact O-N 3.46Å; A125-K129 VanDerWaalsContact O-N 3.12Å; A125-I130 HydrophobicContact CB-CD1 4.34Å; A125-I130 HydrophobicContact CB-CG1 3.98Å; A125-I130 WeakPolarHBondContact O-CG1 3.35Å; A125-I130 PolarHBondContact O-N 3.44Å; A125-I133 HydrophobicContact CB-CG2 3.55Å; A125-I134 HydrophobicContact CB-CG1 4.41Å; A125-I137 HydrophobicContact CB-CD1 4.36Å
126L87.4Confident90.1Very high29 Ų2947.4 Ų47.415%0.15224%0.242CC..Hα-helixtrans-63.8-49.7174.1-71.4164.5000111.7I32 V42 V122 I123 K124 T128 K129 I134I32-L126 HydrophobicContact CD1-CD1 3.65Å; I32-L126 HydrophobicContact CG1-CD1 3.93Å; I32-L126 HydrophobicContact CG2-CD1 4.11Å; V42-L126 HydrophobicContact CG2-CD1 3.71Å; V42-L126 HydrophobicContact CG2-CD2 3.58Å; V42-L126 HydrophobicContact CG2-CG 4.31Å; V122-L126 HydrophobicContact CG1-CD1 4.32Å; V122-L126 WeakPolarHBondContact O-CG 3.16Å; V122-L126 PolarHBondContact O-N 3.42Å; I123-L126 WeakPolarHBondContact O-CB 3.43Å; I123-L126 PolarHBondContact O-N 2.89Å; K124-L126 VanDerWaalsContact C-N 3.28Å; K124-L126 PolarHBondContact O-N 3.3Å; L126-T128 VanDerWaalsContact C-N 3.29Å; L126-T128 PolarHBondContact O-N 3.31Å; L126-K129 PolarHBondContact O-N 2.92Å; L126-I134 HydrophobicContact CD1-CD1 4.44Å; L126-I134 HydrophobicContact CD2-CD1 3.44Å; L126-I134 VanDerWaalsContact CD2-CD1 3.44Å; L126-I134 HydrophobicContact CG-CD1 3.75Å
127V85.2Confident90.1Very high104 Ų10447.4 Ų47.463%0.6324%0.242SC*.Hα-helixtrans-61.7-37.9179172.90000111.4I123 K124 K129I123-V127 WeakPolarHBondContact O-CG2 3.35Å; I123-V127 PolarHBondContact O-N 3.4Å; K124-V127 PolarHBondContact O-N 3.04Å; V127-K129 VanDerWaalsContact C-N 3.25Å; V127-K129 PolarHBondContact O-N 3.4Å
128T86Confident90Very high72 Ų7247.6 Ų47.644%0.44224%0.243SC..THydrogen-bonded Turntrans-84.78.7176.560.10000113.9K124 A125 L126 I130K124-T128 HydrophobicContact CG-CG2 4.36Å; K124-T128 WeakPolarHBondContact O-CG2 3.04Å; K124-T128 PolarHBondContact O-N 2.94Å; K124-T128 PolarHBondContact O-OG1 3.41Å; A125-T128 CarbonylContact O-C 3.58Å; A125-T128 PolarHBondContact O-OG1 2.85Å; L126-T128 VanDerWaalsContact C-N 3.29Å; L126-T128 PolarHBondContact O-N 3.31Å; T128-I130 PolarHBondContact O-N 3.02Å; T128-I130 WeakPolarHBondContact OG1-CG1 3.46Å
129K85Confident90Very high183 Ų18351.8 Ų51.880%0.79627%0.266SS*.THydrogen-bonded Turntrans56.941.2175.5-56.7-175.3177.8-1780114.9A125 L126 V127 P131A125-K129 PolarHBondContact O-N 3.46Å; A125-K129 VanDerWaalsContact O-N 3.12Å; L126-K129 PolarHBondContact O-N 2.92Å; V127-K129 VanDerWaalsContact C-N 3.25Å; V127-K129 PolarHBondContact O-N 3.4Å; K129-P131 WeakPolarHBondContact O-CD 3.4Å
130I85.2Confident90.1Very high73 Ų7352.9 Ų52.937%0.37427%0.27SS..  trans-122.160173.751168.5000111.1P88 A125 T128 D132 I133P88-I130 HydrophobicContact CG-CD1 3.61Å; A125-I130 HydrophobicContact CB-CD1 4.34Å; A125-I130 HydrophobicContact CB-CG1 3.98Å; A125-I130 WeakPolarHBondContact O-CG1 3.35Å; A125-I130 PolarHBondContact O-N 3.44Å; T128-I130 PolarHBondContact O-N 3.02Å; T128-I130 WeakPolarHBondContact OG1-CG1 3.46Å; I130-D132 PolarHBondContact O-N 2.9Å; I130-D132 VanDerWaalsContact O-N 3.12Å; I130-I133 HydrophobicContact CD1-CG2 4.21Å; I130-I133 HydrophobicContact CG1-CG2 4.39Å; I130-I133 WeakPolarHBondContact O-CG2 3.22Å; I130-I133 PolarHBondContact O-N 3.34Å
131P79.1Confident90.3Very high71 Ų7151.9 Ų51.946%0.46127%0.266SS..G310 helixtrans-63.1-21.4-172.327.8-36.5000114.1K129 I133 I134K129-P131 WeakPolarHBondContact O-CD 3.4Å; P131-I133 PolarHBondContact O-N 3.28Å; P131-I133 VanDerWaalsContact O-N 3.17Å; P131-I134 HydrophobicContact CB-CD1 4Å; P131-I134 VanDerWaalsContact O-CB 3.29Å; P131-I134 WeakPolarHBondContact O-CB 3.47Å; P131-I134 WeakPolarHBondContact O-CD1 3.45Å; P131-I134 WeakPolarHBondContact O-CG1 3.3Å; P131-I134 PolarHBondContact O-N 3.18Å; P131-I134 VanDerWaalsContact O-N 3.11Å
132D85.5Confident90.4Very high149 Ų14952.6 Ų52.680%0.79727%0.27SS*.G310 helixtrans-62-26.3-178.1-61.4-29.8000113.2I130 I134I130-D132 PolarHBondContact O-N 2.9Å; I130-D132 VanDerWaalsContact O-N 3.12Å; D132-I134 VanDerWaalsContact C-N 3.3Å; D132-I134 PolarHBondContact O-N 3.05Å
133I90Very high90.6Very high36 Ų3655.8 Ų55.819%0.18529%0.287CS..G310 helixtrans-80.5-9.9-179.2-151.9176.1000113.3P88 A125 I130 P131 R135 T136 I137 W140P88-I133 WeakPolarHBondContact O-CD1 3.5Å; A125-I133 HydrophobicContact CB-CG2 3.55Å; I130-I133 HydrophobicContact CD1-CG2 4.21Å; I130-I133 HydrophobicContact CG1-CG2 4.39Å; I130-I133 WeakPolarHBondContact O-CG2 3.22Å; I130-I133 PolarHBondContact O-N 3.34Å; P131-I133 PolarHBondContact O-N 3.28Å; P131-I133 VanDerWaalsContact O-N 3.17Å; I133-R135 PolarHBondContact O-N 3.39Å; I133-T136 CarbonylContact O-C 3.58Å; I133-T136 WeakPolarHBondContact O-CA 3.43Å; I133-T136 VanDerWaalsContact O-CB 3.28Å; I133-T136 WeakPolarHBondContact O-CB 3.19Å; I133-T136 PolarHBondContact O-N 2.93Å; I133-I137 HydrophobicContact CG1-CG1 4.46Å; I133-I137 HydrophobicContact CG2-CD1 3.87Å; I133-I137 HydrophobicContact CG2-CG1 4.5Å; I133-I137 WeakPolarHBondContact O-CG1 3.48Å; I133-I137 PolarHBondContact O-N 2.96Å; I133-W140 HydrophobicContact CD1-CH2 3.79Å; I133-W140 HydrophobicContact CG1-CH2 4.03Å
134I90Very high91Very high11 Ų1155 Ų556%0.05628%0.282CS..Hα-helixtrans-60.2-49.6-173.1-67.7172.5000111.2L47 V122 A125 L126 P131 D132 T136 I137 I138L47-I134 HydrophobicContact CD2-CG2 3.43Å; L47-I134 VanDerWaalsContact CD2-CG2 3.43Å; V122-I134 HydrophobicContact CG1-CB 4.47Å; V122-I134 HydrophobicContact CG1-CD1 4.44Å; V122-I134 HydrophobicContact CG1-CG1 4.11Å; V122-I134 HydrophobicContact CG1-CG2 3.74Å; V122-I134 HydrophobicContact CG2-CG2 4.16Å; A125-I134 HydrophobicContact CB-CG1 4.41Å; L126-I134 HydrophobicContact CD1-CD1 4.44Å; L126-I134 HydrophobicContact CD2-CD1 3.44Å; L126-I134 VanDerWaalsContact CD2-CD1 3.44Å; L126-I134 HydrophobicContact CG-CD1 3.75Å; P131-I134 HydrophobicContact CB-CD1 4Å; P131-I134 VanDerWaalsContact O-CB 3.29Å; P131-I134 WeakPolarHBondContact O-CB 3.47Å; P131-I134 WeakPolarHBondContact O-CD1 3.45Å; P131-I134 WeakPolarHBondContact O-CG1 3.3Å; P131-I134 PolarHBondContact O-N 3.18Å; P131-I134 VanDerWaalsContact O-N 3.11Å; D132-I134 VanDerWaalsContact C-N 3.3Å; D132-I134 PolarHBondContact O-N 3.05Å; I134-T136 PolarHBondContact O-N 3.17Å; I134-I137 PolarHBondContact O-N 3.44Å; I134-I138 HydrophobicContact CG2-CD1 4.31Å; I134-I138 WeakPolarHBondContact O-CG1 3.37Å; I134-I138 PolarHBondContact O-N 2.98Å; I134-I138 VanDerWaalsContact O-N 3.14Å
135R90.4Very high91.3Very high128 Ų12853.2 Ų53.248%0.48328%0.275SS..Hα-helixtrans-62.4-35.2176-68-177.5-176.5-96.3-0.5111.3E45 Q46 I133 I138 N139E45-R135 PolarHBondContact O-NH2 3Å; Q46-R135 PolarHBondContact O-NE 3.35Å; Q46-R135 PolarHBondContact O-NH2 3.49Å; I133-R135 PolarHBondContact O-N 3.39Å; R135-I138 PolarHBondContact O-N 2.87Å; R135-N139 WeakPolarHBondContact O-CB 3.37Å; R135-N139 PolarHBondContact O-N 3.11Å; R135-N139 PolarHBondContact O-OD1 2.9Å
136T93.8Very high91.6Very high55 Ų5558.5 Ų58.534%0.33729%0.294SS..Hα-helixtrans-65.6-41.4178.3-38.90000111.7I133 I134 N139 W140I133-T136 CarbonylContact O-C 3.58Å; I133-T136 WeakPolarHBondContact O-CA 3.43Å; I133-T136 VanDerWaalsContact O-CB 3.28Å; I133-T136 WeakPolarHBondContact O-CB 3.19Å; I133-T136 PolarHBondContact O-N 2.93Å; I134-T136 PolarHBondContact O-N 3.17Å; T136-N139 PolarHBondContact O-N 3.12Å; T136-W140 HydrophobicContact CG2-CD2 4.49Å; T136-W140 HydrophobicContact CG2-CH2 4.38Å; T136-W140 HydrophobicContact CG2-CZ2 3.44Å; T136-W140 VanDerWaalsContact CG2-CZ2 3.44Å; T136-W140 PolarHBondContact O-N 2.89Å
137I95.6Very high92Very high0 Ų062.5 Ų62.50%032%0.316CS..Hα-helixtrans-63.3-44.1175.3-65.7162.4000111.1P88 A118 L121 V122 A125 I133 I134 N139 W140 T141P88-I137 HydrophobicContact CB-CD1 4.22Å; A118-I137 HydrophobicContact CB-CG2 4.28Å; L121-I137 HydrophobicContact CB-CD1 3.92Å; L121-I137 HydrophobicContact CB-CG2 4.2Å; V122-I137 HydrophobicContact CG2-CB 4.01Å; V122-I137 HydrophobicContact CG2-CD1 4.06Å; V122-I137 HydrophobicContact CG2-CG2 3.86Å; A125-I137 HydrophobicContact CB-CD1 4.36Å; I133-I137 HydrophobicContact CG1-CG1 4.46Å; I133-I137 HydrophobicContact CG2-CD1 3.87Å; I133-I137 HydrophobicContact CG2-CG1 4.5Å; I133-I137 WeakPolarHBondContact O-CG1 3.48Å; I133-I137 PolarHBondContact O-N 2.96Å; I134-I137 PolarHBondContact O-N 3.44Å; I137-N139 VanDerWaalsContact C-N 3.33Å; I137-N139 PolarHBondContact O-N 2.89Å; I137-W140 HydrophobicContact CB-CE3 4.32Å; I137-W140 HydrophobicContact CB-CZ3 4.45Å; I137-W140 HydrophobicContact CG1-CE3 4Å; I137-W140 HydrophobicContact CG1-CH2 4.35Å; I137-W140 HydrophobicContact CG1-CZ3 3.64Å; I137-W140 PolarHBondContact O-N 3.24Å; I137-T141 PolarHBondContact O-N 2.98Å; I137-T141 VanDerWaalsContact O-N 3.12Å; I137-T141 PolarHBondContact O-OG1 3.26Å
138I94.7Very high92.5Very high4 Ų461.4 Ų61.42%0.02130%0.304CS..Hα-helixtrans-57.8-49.7175-67.1167.4000109.2L24 K25 I28 L47 I134 R135 W140 T141 I142L24-I138 HydrophobicContact CD2-CG2 4.19Å; K25-I138 HydrophobicContact CG-CD1 4.32Å; K25-I138 HydrophobicContact CG-CG2 4.25Å; I28-I138 HydrophobicContact CD1-CD1 4.33Å; I28-I138 HydrophobicContact CD1-CG1 3.88Å; L47-I138 HydrophobicContact CD2-CD1 4.2Å; I134-I138 HydrophobicContact CG2-CD1 4.31Å; I134-I138 WeakPolarHBondContact O-CG1 3.37Å; I134-I138 PolarHBondContact O-N 2.98Å; I134-I138 VanDerWaalsContact O-N 3.14Å; R135-I138 PolarHBondContact O-N 2.87Å; I138-W140 PolarHBondContact O-N 3.43Å; I138-T141 WeakPolarHBondContact O-CB 3.39Å; I138-T141 PolarHBondContact O-N 3.15Å; I138-I142 HydrophobicContact CG2-CG1 4.37Å; I138-I142 WeakPolarHBondContact O-CG1 3.49Å; I138-I142 PolarHBondContact O-N 3.03Å
139N95.8Very high93Very high89 Ų8958 Ų5848%0.47628%0.283SS..Hα-helixtrans-59.6-44.5179.4-69-10000112.3R135 T136 I137 T141 I142 D143R135-N139 WeakPolarHBondContact O-CB 3.37Å; R135-N139 PolarHBondContact O-N 3.11Å; R135-N139 PolarHBondContact O-OD1 2.9Å; T136-N139 PolarHBondContact O-N 3.12Å; I137-N139 VanDerWaalsContact C-N 3.33Å; I137-N139 PolarHBondContact O-N 2.89Å; N139-T141 PolarHBondContact O-N 3.37Å; N139-I142 PolarHBondContact O-N 3.03Å; N139-I142 VanDerWaalsContact O-N 3.13Å; N139-D143 WeakPolarHBondContact O-CB 3.35Å; N139-D143 PolarHBondContact O-N 2.63Å
140W97.6Very high93.4Very high22 Ų2249.8 Ų49.88%0.08325%0.248CC..Hα-helixtrans-57.5-36.8175.6-60.1-24.3000112.6S89 K90 F93 M94 I133 T136 I137 I138 Y144S89-W140 VanDerWaalsContact C-CZ3 3.48Å; K90-W140 HydrophobicContact CB-CD2 4.21Å; K90-W140 HydrophobicContact CB-CE3 4.44Å; K90-W140 HydrophobicContact CB-CH2 3.82Å; K90-W140 HydrophobicContact CB-CZ2 3.52Å; K90-W140 HydrophobicContact CB-CZ3 4.26Å; K90-W140 HydrophobicContact CD-CZ2 4.46Å; K90-W140 HydrophobicContact CG-CD2 3.98Å; K90-W140 HydrophobicContact CG-CG 4.32Å; K90-W140 HydrophobicContact CG-CZ2 4.03Å; F93-W140 HydrophobicContact CB-CE3 3.79Å; F93-W140 HydrophobicContact CB-CZ3 4.27Å; F93-W140 HydrophobicContact CD1-CB 3.63Å; F93-W140 HydrophobicContact CD1-CE3 4.35Å; F93-W140 HydrophobicContact CD1-CG 4.41Å; F93-W140 HydrophobicContact CE1-CB 3.67Å; F93-W140 WeakPolarHBondContact CE1-O 3.31Å; F93-W140 HydrophobicContact CG-CB 4.26Å; F93-W140 AromaticContact CG-CE3 3.99Å; F93-W140 HydrophobicContact CG-CE3 3.99Å; F93-W140 HydrophobicContact CZ-CB 4.31Å; M94-W140 HydrophobicContact CE-CB 4.26Å; I133-W140 HydrophobicContact CD1-CH2 3.79Å; I133-W140 HydrophobicContact CG1-CH2 4.03Å; T136-W140 HydrophobicContact CG2-CD2 4.49Å; T136-W140 HydrophobicContact CG2-CH2 4.38Å; T136-W140 HydrophobicContact CG2-CZ2 3.44Å; T136-W140 VanDerWaalsContact CG2-CZ2 3.44Å; T136-W140 PolarHBondContact O-N 2.89Å; I137-W140 HydrophobicContact CB-CE3 4.32Å; I137-W140 HydrophobicContact CB-CZ3 4.45Å; I137-W140 HydrophobicContact CG1-CE3 4Å; I137-W140 HydrophobicContact CG1-CH2 4.35Å; I137-W140 HydrophobicContact CG1-CZ3 3.64Å; I137-W140 PolarHBondContact O-N 3.24Å; I138-W140 PolarHBondContact O-N 3.43Å; W140-Y144 VanDerWaalsContact O-CB 3.25Å; W140-Y144 WeakPolarHBondContact O-CB 3.12Å; W140-Y144 PolarHBondContact O-N 3.43Å
141T97.7Very high93.9Very high0 Ų050.4 Ų50.40%025%0.252CS..Hα-helixtrans-69.1-42179.1-49.20000111.4L24 F93 L114 F115 A118 I137 I138 N139 L145L24-T141 HydrophobicContact CD1-CG2 4.45Å; L24-T141 HydrophobicContact CD2-CG2 3.59Å; F93-T141 WeakPolarHBondContact CE2-OG1 3.44Å; F93-T141 HydrophobicContact CZ-CG2 4.32Å; F93-T141 WeakPolarHBondContact CZ-OG1 3.44Å; L114-T141 HydrophobicContact CD2-CG2 4.31Å; L114-T141 HydrophobicContact CG-CG2 4.18Å; F115-T141 HydrophobicContact CD1-CG2 4.31Å; F115-T141 HydrophobicContact CE1-CG2 4.42Å; A118-T141 HydrophobicContact CB-CG2 4.11Å; A118-T141 VanDerWaalsContact CB-OG1 3.24Å; A118-T141 WeakPolarHBondContact CB-OG1 3.41Å; I137-T141 PolarHBondContact O-N 2.98Å; I137-T141 VanDerWaalsContact O-N 3.12Å; I137-T141 PolarHBondContact O-OG1 3.26Å; I138-T141 WeakPolarHBondContact O-CB 3.39Å; I138-T141 PolarHBondContact O-N 3.15Å; N139-T141 PolarHBondContact O-N 3.37Å; T141-L145 WeakPolarHBondContact O-CB 3.34Å; T141-L145 PolarHBondContact O-N 3.21Å
142I96.9Very high94.7Very high16 Ų1648.7 Ų48.78%0.08224%0.236CC..Hα-helixtrans-71.6-40.2179-59.7-46.9000111.6V17 A21 L24 I138 N139 L145 R146V17-I142 HydrophobicContact CG1-CG2 3.43Å; V17-I142 VanDerWaalsContact CG1-CG2 3.43Å; A21-I142 HydrophobicContact CB-CD1 3.83Å; A21-I142 HydrophobicContact CB-CG1 4Å; L24-I142 HydrophobicContact CD2-CD1 3.84Å; L24-I142 HydrophobicContact CD2-CG1 4.37Å; I138-I142 HydrophobicContact CG2-CG1 4.37Å; I138-I142 WeakPolarHBondContact O-CG1 3.49Å; I138-I142 PolarHBondContact O-N 3.03Å; N139-I142 PolarHBondContact O-N 3.03Å; N139-I142 VanDerWaalsContact O-N 3.13Å; I142-L145 WeakPolarHBondContact O-CB 3.33Å; I142-L145 PolarHBondContact O-N 3.31Å; I142-R146 WeakPolarHBondContact O-CB 3.41Å; I142-R146 PolarHBondContact O-N 2.96Å
143D97.3Very high95.1Very high67 Ų6741.6 Ų41.636%0.35820%0.198SC..Hα-helixtrans-62.3-47.4174.4-66.3-23.1000110.2N139 L145 R146 D147N139-D143 WeakPolarHBondContact O-CB 3.35Å; N139-D143 PolarHBondContact O-N 2.63Å; D143-L145 VanDerWaalsContact C-N 3.32Å; D143-L145 PolarHBondContact O-N 3.08Å; D143-R146 WeakPolarHBondContact O-CB 3.42Å; D143-R146 PolarHBondContact O-N 3.02Å; D143-R146 IonicContact OD1-NH1 3.88Å; D143-D147 WeakPolarHBondContact O-CB 3.47Å; D143-D147 VanDerWaalsContact O-CG 3.22Å; D143-D147 PolarHBondContact O-N 3.33Å
144Y97.6Very high95.3Very high8 Ų843.7 Ų43.73%0.03120%0.204CC..Hα-helixtrans-61.2-41.2176.8-167.5-80.8000112.2M94 A97 Y98 F101 L114 W140 D147 H148 V149M94-Y144 HydrophobicContact SD-CD2 3.86Å; M94-Y144 HydrophobicContact SD-CE2 4.5Å; A97-Y144 HydrophobicContact CB-CD1 4.31Å; A97-Y144 HydrophobicContact CB-CD2 3.79Å; A97-Y144 HydrophobicContact CB-CE1 4.14Å; A97-Y144 HydrophobicContact CB-CE2 3.56Å; A97-Y144 HydrophobicContact CB-CG 4.16Å; A97-Y144 PolarHBondContact O-OH 2.9Å; Y98-Y144 WeakPolarHBondContact CA-OH 3.46Å; Y98-Y144 AromaticContact CD1-CE2 3.66Å; Y98-Y144 HydrophobicContact CD1-CE2 3.66Å; Y98-Y144 AromaticContact CD1-CZ 3.98Å; Y98-Y144 WeakPolarHBondContact CD1-OH 3.41Å; Y98-Y144 AromaticContact CE1-CE2 3.54Å; Y98-Y144 HydrophobicContact CE1-CE2 3.54Å; Y98-Y144 HydrophobicContact CG-CE2 4.34Å; F101-Y144 AromaticContact CD2-CE1 3.83Å; F101-Y144 HydrophobicContact CD2-CE1 3.83Å; F101-Y144 HydrophobicContact CE2-CE1 4.03Å; L114-Y144 HydrophobicContact CD2-CD1 3.96Å; W140-Y144 VanDerWaalsContact O-CB 3.25Å; W140-Y144 WeakPolarHBondContact O-CB 3.12Å; W140-Y144 PolarHBondContact O-N 3.43Å; Y144-D147 PolarHBondContact O-N 3.31Å; Y144-H148 HydrophobicContact CD1-CB 4.25Å; Y144-H148 AromaticContact CD2-CD2 3.52Å; Y144-H148 HydrophobicContact CE1-CB 3.91Å; Y144-H148 AromaticContact CE1-CD2 3.97Å; Y144-H148 AromaticContact CE2-CD2 3.48Å; Y144-H148 VanDerWaalsContact CE2-CD2 3.48Å; Y144-H148 WeakPolarHBondContact CE2-CD2 3.21Å; Y144-H148 AromaticContact CE2-NE2 3.99Å; Y144-H148 AromaticContact CG-CD2 3.8Å; Y144-H148 AromaticContact CZ-CD2 3.69Å; Y144-H148 WeakPolarHBondContact O-CB 3.34Å; Y144-H148 PolarHBondContact O-N 2.94Å; Y144-V149 HydrophobicContact CD1-CG2 4.26Å; Y144-V149 HydrophobicContact CE1-CG2 4.22Å
145L96.4Very high95.5Very high0 Ų049.9 Ų49.90%023%0.233CC..Iπ-helixtrans-60.4-48.7176-171.286.4000110.8V111 T141 I142 D143 D147 V149 I150 I153 W159V111-L145 HydrophobicContact CG1-CD1 4.41Å; T141-L145 WeakPolarHBondContact O-CB 3.34Å; T141-L145 PolarHBondContact O-N 3.21Å; I142-L145 WeakPolarHBondContact O-CB 3.33Å; I142-L145 PolarHBondContact O-N 3.31Å; D143-L145 VanDerWaalsContact C-N 3.32Å; D143-L145 PolarHBondContact O-N 3.08Å; L145-D147 PolarHBondContact O-N 3.33Å; L145-V149 HydrophobicContact CD1-CB 3.91Å; L145-V149 HydrophobicContact CD1-CG1 4Å; L145-V149 HydrophobicContact CD1-CG2 4.46Å; L145-V149 HydrophobicContact CG-CB 4.4Å; L145-V149 CarbonylContact O-C 3.52Å; L145-V149 WeakPolarHBondContact O-CA 3.31Å; L145-V149 PolarHBondContact O-N 2.91Å; L145-I150 PolarHBondContact O-N 3.15Å; L145-I153 HydrophobicContact CD1-CD1 3.69Å; L145-I153 HydrophobicContact CD2-CD1 4.45Å; L145-I153 HydrophobicContact CG-CD1 4.26Å; L145-W159 HydrophobicContact CD1-CH2 4.25Å; L145-W159 HydrophobicContact CD1-CZ2 4.36Å; L145-W159 HydrophobicContact CD2-CH2 4.33Å; L145-W159 HydrophobicContact CD2-CZ2 3.73Å
146R96.3Very high95.5Very high111 Ų11147.8 Ų47.842%0.41923%0.228SC..Iπ-helixtrans-59.1-45.9178.2-179.4-176.2-73.9147.3-5111.3V17 I142 D143 I150V17-R146 HydrophobicContact CG2-CB 4.04Å; V17-R146 HydrophobicContact CG2-CG 4.25Å; I142-R146 WeakPolarHBondContact O-CB 3.41Å; I142-R146 PolarHBondContact O-N 2.96Å; D143-R146 WeakPolarHBondContact O-CB 3.42Å; D143-R146 PolarHBondContact O-N 3.02Å; D143-R146 IonicContact OD1-NH1 3.88Å; R146-I150 WeakPolarHBondContact O-CG2 3.49Å
147D95.5Very high95.4Very high113 Ų11348.4 Ų48.460%0.60425%0.246SC*.Iπ-helixtrans-80.4-29.6-170.8-65.5-14.4000113D143 Y144 L145D143-D147 WeakPolarHBondContact O-CB 3.47Å; D143-D147 VanDerWaalsContact O-CG 3.22Å; D143-D147 PolarHBondContact O-N 3.33Å; Y144-D147 PolarHBondContact O-N 3.31Å; L145-D147 PolarHBondContact O-N 3.33Å
148H95.6Very high95.3Very high81 Ų8148.9 Ų48.938%0.37525%0.25SS..Iπ-helixtrans-123.7-24.7-168.7-59.7-62.4000115.5Y98 F106 Y144Y98-H148 AromaticContact CE1-NE2 3.83Å; F106-H148 WeakPolarHBondContact CE1-O 3.43Å; Y144-H148 HydrophobicContact CD1-CB 4.25Å; Y144-H148 AromaticContact CD2-CD2 3.52Å; Y144-H148 HydrophobicContact CE1-CB 3.91Å; Y144-H148 AromaticContact CE1-CD2 3.97Å; Y144-H148 AromaticContact CE2-CD2 3.48Å; Y144-H148 VanDerWaalsContact CE2-CD2 3.48Å; Y144-H148 WeakPolarHBondContact CE2-CD2 3.21Å; Y144-H148 AromaticContact CE2-NE2 3.99Å; Y144-H148 AromaticContact CG-CD2 3.8Å; Y144-H148 AromaticContact CZ-CD2 3.69Å; Y144-H148 WeakPolarHBondContact O-CB 3.34Å; Y144-H148 PolarHBondContact O-N 2.94Å
149V96.3Very high95.2Very high1 Ų149.2 Ų49.21%0.00625%0.251CS..Iπ-helixtrans-118.8-21.7-166.9-169.90000112.3F101 F106 V111 Y144 L145 N151 W152 I153F101-V149 HydrophobicContact CE2-CG2 4.37Å; F101-V149 HydrophobicContact CZ-CG2 4.19Å; F106-V149 HydrophobicContact CD1-CG1 4.34Å; F106-V149 HydrophobicContact CE1-CG2 4.28Å; V111-V149 HydrophobicContact CG2-CG1 3.89Å; Y144-V149 HydrophobicContact CD1-CG2 4.26Å; Y144-V149 HydrophobicContact CE1-CG2 4.22Å; L145-V149 HydrophobicContact CD1-CB 3.91Å; L145-V149 HydrophobicContact CD1-CG1 4Å; L145-V149 HydrophobicContact CD1-CG2 4.46Å; L145-V149 HydrophobicContact CG-CB 4.4Å; L145-V149 CarbonylContact O-C 3.52Å; L145-V149 WeakPolarHBondContact O-CA 3.31Å; L145-V149 PolarHBondContact O-N 2.91Å; V149-N151 VanDerWaalsContact C-N 3.31Å; V149-N151 PolarHBondContact O-N 3.45Å; V149-W152 HydrophobicContact CG1-CE3 4.35Å; V149-W152 WeakPolarHBondContact O-CB 3.41Å; V149-W152 PolarHBondContact O-N 2.98Å; V149-W152 VanDerWaalsContact O-N 3.11Å; V149-I153 HydrophobicContact CG1-CD1 3.94Å; V149-I153 HydrophobicContact CG1-CG1 4.1Å; V149-I153 PolarHBondContact O-N 2.99Å; V149-I153 VanDerWaalsContact O-N 3.13Å
150I95.1Very high94.8Very high11 Ų1148.4 Ų48.46%0.05625%0.245CC..Hα-helixtrans-60.8-38.5-168-160.561.7000113.6I16 V17 L145 R146 W152 I153 R154I16-I150 HydrophobicContact CB-CD1 3.69Å; I16-I150 HydrophobicContact CG2-CD1 3.3Å; I16-I150 HydrophobicContact CG2-CG1 4.45Å; V17-I150 HydrophobicContact CB-CD1 4.47Å; V17-I150 HydrophobicContact CG2-CD1 3.44Å; V17-I150 VanDerWaalsContact CG2-CD1 3.44Å; V17-I150 HydrophobicContact CG2-CG1 3.89Å; L145-I150 PolarHBondContact O-N 3.15Å; R146-I150 WeakPolarHBondContact O-CG2 3.49Å; I150-W152 VanDerWaalsContact C-N 3.32Å; I150-W152 PolarHBondContact O-N 3.48Å; I150-I153 PolarHBondContact O-N 3.07Å; I150-R154 WeakPolarHBondContact O-CB 2.85Å; I150-R154 PolarHBondContact O-N 3.07Å
151N94.8Very high94.2Very high85 Ų8548 Ų4846%0.45525%0.247SC..Hα-helixtrans-63.2-42.8179.9-70.4-33.8000110.8V149 R154 E155V149-N151 VanDerWaalsContact C-N 3.31Å; V149-N151 PolarHBondContact O-N 3.45Å; N151-R154 WeakPolarHBondContact O-CB 3.18Å; N151-R154 PolarHBondContact O-N 3.35Å; N151-R154 PolarHBondContact OD1-NH2 3.07Å; N151-E155 WeakPolarHBondContact O-CG 3.46Å; N151-E155 PolarHBondContact O-N 3.34Å
152W95.6Very high93.6Very high36 Ų3648 Ų4814%0.13625%0.247CC..Hα-helixtrans-64.4-43.9176.717777.6000111.7F106 N107 W108 V111 V149 I150 R154 E155 Q156F106-W152 HydrophobicContact CB-CB 4.12Å; F106-W152 HydrophobicContact CB-CD2 3.53Å; F106-W152 HydrophobicContact CB-CE3 4.23Å; F106-W152 HydrophobicContact CB-CG 3.42Å; F106-W152 VanDerWaalsContact CB-CG 3.42Å; F106-W152 HydrophobicContact CD1-CB 4.42Å; F106-W152 HydrophobicContact CG-CB 4.21Å; F106-W152 HydrophobicContact CG-CD2 4.47Å; F106-W152 HydrophobicContact CG-CG 4.03Å; N107-W152 VanDerWaalsContact C-CH2 3.45Å; N107-W152 VanDerWaalsContact CA-CZ2 3.49Å; W108-W152 HydrophobicContact CB-CH2 4.48Å; W108-W152 AromaticContact CD1-CH2 3.79Å; W108-W152 AromaticContact CD2-CH2 3.66Å; W108-W152 HydrophobicContact CD2-CH2 3.66Å; W108-W152 AromaticContact CD2-CZ3 3.9Å; W108-W152 HydrophobicContact CD2-CZ3 3.9Å; W108-W152 AromaticContact CE2-CH2 3.68Å; W108-W152 AromaticContact CE2-CZ3 3.99Å; W108-W152 HydrophobicContact CE3-CH2 4.24Å; W108-W152 HydrophobicContact CE3-CZ3 4.02Å; W108-W152 AromaticContact CG-CH2 3.77Å; W108-W152 HydrophobicContact CG-CH2 3.77Å; W108-W152 HydrophobicContact CG-CZ3 4.43Å; W108-W152 HydrophobicContact CH2-CZ3 4.34Å; W108-W152 HydrophobicContact CZ2-CH2 4.3Å; W108-W152 HydrophobicContact CZ2-CZ3 4.23Å; W108-W152 HydrophobicContact CZ3-CZ3 4.22Å; W108-W152 AromaticContact NE1-CH2 3.72Å; V111-W152 HydrophobicContact CG2-CE3 4.35Å; V111-W152 HydrophobicContact CG2-CZ3 3.84Å; V149-W152 HydrophobicContact CG1-CE3 4.35Å; V149-W152 WeakPolarHBondContact O-CB 3.41Å; V149-W152 PolarHBondContact O-N 2.98Å; V149-W152 VanDerWaalsContact O-N 3.11Å; I150-W152 VanDerWaalsContact C-N 3.32Å; I150-W152 PolarHBondContact O-N 3.48Å; W152-R154 VanDerWaalsContact C-N 3.27Å; W152-R154 PolarHBondContact O-N 3.04Å; W152-E155 WeakPolarHBondContact O-CB 3.46Å; W152-E155 PolarHBondContact O-N 2.93Å; W152-E155 VanDerWaalsContact O-N 3.13Å; W152-Q156 HydrophobicContact CD2-CG 4.11Å; W152-Q156 HydrophobicContact CE3-CG 4.36Å; W152-Q156 HydrophobicContact CH2-CG 3.84Å; W152-Q156 HydrophobicContact CZ2-CG 3.56Å; W152-Q156 HydrophobicContact CZ3-CG 4.23Å; W152-Q156 WeakPolarHBondContact O-CG 3.42Å; W152-Q156 PolarHBondContact O-N 3.02Å
153I95.1Very high92.8Very high0 Ų053.1 Ų53.10%027%0.265CS..Hα-helixtrans-60.6-41.2177.4-66.3173.4000110.9I16 W108 L145 V149 I150 E155 Q156 G157 G158 W159I16-I153 HydrophobicContact CG2-CB 4.09Å; I16-I153 HydrophobicContact CG2-CG2 3.39Å; W108-I153 HydrophobicContact CH2-CB 4.45Å; W108-I153 HydrophobicContact CH2-CG1 4.09Å; W108-I153 HydrophobicContact CH2-CG2 3.86Å; W108-I153 HydrophobicContact CZ3-CD1 4.48Å; W108-I153 HydrophobicContact CZ3-CG1 4.26Å; L145-I153 HydrophobicContact CD1-CD1 3.69Å; L145-I153 HydrophobicContact CD2-CD1 4.45Å; L145-I153 HydrophobicContact CG-CD1 4.26Å; V149-I153 HydrophobicContact CG1-CD1 3.94Å; V149-I153 HydrophobicContact CG1-CG1 4.1Å; V149-I153 PolarHBondContact O-N 2.99Å; V149-I153 VanDerWaalsContact O-N 3.13Å; I150-I153 PolarHBondContact O-N 3.07Å; I153-E155 VanDerWaalsContact C-N 3.34Å; I153-E155 PolarHBondContact O-N 3.37Å; I153-Q156 WeakPolarHBondContact O-CB 3.05Å; I153-Q156 PolarHBondContact O-N 3.29Å; I153-Q156 VanDerWaalsContact O-N 3.13Å; I153-G157 PolarHBondContact O-N 2.79Å; I153-G158 WeakPolarHBondContact O-CA 3.22Å; I153-G158 PolarHBondContact O-N 2.75Å; I153-W159 HydrophobicContact CD1-CH2 3.93Å; I153-W159 HydrophobicContact CD1-CZ2 3.75Å
154R93.8Very high91.9Very high79 Ų7954.2 Ų54.230%0.29828%0.278SS..Hα-helixtrans-61.4-42.5175.4-174.4-179.364.1-173.20.3111.8I16 I150 N151 W152 Q156 G157I16-R154 HydrophobicContact CD1-CB 3.72Å; I16-R154 HydrophobicContact CD1-CG 4.02Å; I150-R154 WeakPolarHBondContact O-CB 2.85Å; I150-R154 PolarHBondContact O-N 3.07Å; N151-R154 WeakPolarHBondContact O-CB 3.18Å; N151-R154 PolarHBondContact O-N 3.35Å; N151-R154 PolarHBondContact OD1-NH2 3.07Å; W152-R154 VanDerWaalsContact C-N 3.27Å; W152-R154 PolarHBondContact O-N 3.04Å; R154-Q156 PolarHBondContact O-N 2.9Å; R154-G157 WeakPolarHBondContact O-CA 3.32Å; R154-G157 PolarHBondContact O-N 3.03Å
155E93.3Very high90.8Very high142 Ų14255.2 Ų55.266%0.66428%0.282SS*.Hα-helixtrans-62.7-27.2174.9-71.2165.3-169.300112.9N151 W152 I153 G157N151-E155 WeakPolarHBondContact O-CG 3.46Å; N151-E155 PolarHBondContact O-N 3.34Å; W152-E155 WeakPolarHBondContact O-CB 3.46Å; W152-E155 PolarHBondContact O-N 2.93Å; W152-E155 VanDerWaalsContact O-N 3.13Å; I153-E155 VanDerWaalsContact C-N 3.34Å; I153-E155 PolarHBondContact O-N 3.37Å; E155-G157 PolarHBondContact O-N 3.32Å
156Q91.9Very high89.6Confident84 Ų8457 Ų5739%0.39329%0.29SS..THydrogen-bonded Turntrans-78.31.7171.5-57.1-46.6-67.100113.7W108 W152 I153 R154W108-Q156 HydrophobicContact CZ2-CB 3.97Å; W108-Q156 HydrophobicContact CZ2-CG 4.25Å; W152-Q156 HydrophobicContact CD2-CG 4.11Å; W152-Q156 HydrophobicContact CE3-CG 4.36Å; W152-Q156 HydrophobicContact CH2-CG 3.84Å; W152-Q156 HydrophobicContact CZ2-CG 3.56Å; W152-Q156 HydrophobicContact CZ3-CG 4.23Å; W152-Q156 WeakPolarHBondContact O-CG 3.42Å; W152-Q156 PolarHBondContact O-N 3.02Å; I153-Q156 WeakPolarHBondContact O-CB 3.05Å; I153-Q156 PolarHBondContact O-N 3.29Å; I153-Q156 VanDerWaalsContact O-N 3.13Å; R154-Q156 PolarHBondContact O-N 2.9Å
157G90.6Very high88.2Confident68 Ų6855.1 Ų55.170%0.70131%0.305SS*.THydrogen-bonded Turntrans78.821.4-174.500000113.7I153 R154 E155I153-G157 PolarHBondContact O-N 2.79Å; R154-G157 WeakPolarHBondContact O-CA 3.32Å; R154-G157 PolarHBondContact O-N 3.03Å; E155-G157 PolarHBondContact O-N 3.32Å
158G92.7Very high87Confident9 Ų952.4 Ų52.49%0.09329%0.293CS..SBendtrans92.9-163-178.700000113.6W108 I153 E160 G161W108-G158 WeakPolarHBondContact CZ2-O 3.47Å; I153-G158 WeakPolarHBondContact O-CA 3.22Å; I153-G158 PolarHBondContact O-N 2.75Å; G158-E160 VanDerWaalsContact C-N 3.29Å; G158-E160 PolarHBondContact O-N 3.46Å; G158-G161 PolarHBondContact O-N 3.21Å
159W92.6Very high85.8Confident12 Ų1252.8 Ų52.85%0.04530%0.302CS..G310 helixtrans-70.3-20.2-172.8-71.795.7000114.7I16 V19 L23 L60 W108 V111 F115 L145 I153 G161 I162I16-W159 PolarHBondContact O-NE1 2.92Å; V19-W159 HydrophobicContact CB-CG 4.47Å; V19-W159 HydrophobicContact CG1-CB 4.11Å; V19-W159 HydrophobicContact CG1-CG 3.77Å; L23-W159 HydrophobicContact CD1-CB 4.38Å; L23-W159 HydrophobicContact CD1-CD2 3.93Å; L23-W159 HydrophobicContact CD1-CE3 3.86Å; L23-W159 HydrophobicContact CD1-CG 4.16Å; L23-W159 HydrophobicContact CD1-CZ3 4.47Å; L60-W159 HydrophobicContact CD1-CB 3.94Å; W108-W159 HydrophobicContact CH2-CD2 4.38Å; W108-W159 AromaticContact CH2-CE3 4Å; W108-W159 HydrophobicContact CH2-CE3 4Å; W108-W159 HydrophobicContact CZ3-CD2 4.31Å; W108-W159 AromaticContact CZ3-CE3 3.53Å; W108-W159 HydrophobicContact CZ3-CE3 3.53Å; W108-W159 AromaticContact CZ3-CZ3 3.7Å; W108-W159 HydrophobicContact CZ3-CZ3 3.7Å; V111-W159 HydrophobicContact CG1-CH2 3.84Å; V111-W159 HydrophobicContact CG1-CZ3 3.87Å; F115-W159 HydrophobicContact CE1-CH2 4.04Å; F115-W159 HydrophobicContact CE2-CH2 4.18Å; F115-W159 HydrophobicContact CE2-CZ3 4.38Å; F115-W159 AromaticContact CZ-CH2 3.47Å; F115-W159 HydrophobicContact CZ-CH2 3.47Å; F115-W159 VanDerWaalsContact CZ-CH2 3.47Å; F115-W159 HydrophobicContact CZ-CZ2 4.25Å; F115-W159 HydrophobicContact CZ-CZ3 4.09Å; L145-W159 HydrophobicContact CD1-CH2 4.25Å; L145-W159 HydrophobicContact CD1-CZ2 4.36Å; L145-W159 HydrophobicContact CD2-CH2 4.33Å; L145-W159 HydrophobicContact CD2-CZ2 3.73Å; I153-W159 HydrophobicContact CD1-CH2 3.93Å; I153-W159 HydrophobicContact CD1-CZ2 3.75Å; W159-G161 PolarHBondContact O-N 3.02Å; W159-G161 VanDerWaalsContact O-N 3.16Å; W159-I162 WeakPolarHBondContact O-CB 3.49Å; W159-I162 WeakPolarHBondContact O-CG2 3.3Å; W159-I162 PolarHBondContact O-N 3.39Å; W159-I162 VanDerWaalsContact O-N 3.11Å
160E88.3Confident84.6Confident72 Ų7255.8 Ų55.834%0.33632%0.321SS..G310 helixtrans-60.4-25.6175.7-71.1-58.9130.200112.6N56 G158 I162 R163N56-E160 WeakPolarHBondContact CB-OE1 3.14Å; G158-E160 VanDerWaalsContact C-N 3.29Å; G158-E160 PolarHBondContact O-N 3.46Å; E160-I162 PolarHBondContact O-N 3.03Å; E160-I162 VanDerWaalsContact O-N 3.1Å; E160-R163 WeakPolarHBondContact O-CB 3.39Å; E160-R163 PolarHBondContact O-N 3.25Å; E160-R163 WeakPolarHBondContact OE2-CD 3.16Å; E160-R163 IonicContact OE2-CZ 3.83Å; E160-R163 IonicContact OE2-NE 3.92Å; E160-R163 IonicContact OE2-NH1 2.9Å; E160-R163 PolarHBondContact OE2-NH1 2.88Å
161G85.4Confident83.5Confident12 Ų1258.1 Ų58.112%0.12433%0.329CS..G310 helixtrans-58-23.2176.100000113.5W108 G158 W159 R163 S164W108-G161 VanDerWaalsContact CE2-C 3.48Å; W108-G161 PolarHBondContact NE1-O 2.66Å; W108-G161 VanDerWaalsContact NE1-O 3.14Å; G158-G161 PolarHBondContact O-N 3.21Å; W159-G161 PolarHBondContact O-N 3.02Å; W159-G161 VanDerWaalsContact O-N 3.16Å; G161-R163 PolarHBondContact O-N 2.71Å; G161-S164 PolarHBondContact O-N 3.47Å; G161-S164 PolarHBondContact O-OG 3.41Å
162I84Confident82.4Confident1 Ų160.3 Ų60.31%0.00534%0.336CS..Hα-helixtrans-60.1-32.5177.6-151.9-177000111.2L60 L64 W108 V112 W159 E160 S164 Y165 F166L60-I162 HydrophobicContact CD2-CG2 3.23Å; L60-I162 HydrophobicContact CG-CG2 4.49Å; L64-I162 HydrophobicContact CD2-CD1 3.51Å; L64-I162 HydrophobicContact CG-CD1 4.22Å; W108-I162 HydrophobicContact CB-CG1 3.98Å; W108-I162 HydrophobicContact CD2-CB 3.81Å; W108-I162 HydrophobicContact CD2-CG1 3.76Å; W108-I162 VanDerWaalsContact CE2-N 3.3Å; W108-I162 HydrophobicContact CE3-CB 3.91Å; W108-I162 HydrophobicContact CE3-CD1 4.19Å; W108-I162 HydrophobicContact CE3-CG1 3.72Å; W108-I162 HydrophobicContact CG-CB 4.2Å; W108-I162 HydrophobicContact CG-CG1 3.89Å; W108-I162 HydrophobicContact CZ2-CB 4.47Å; W108-I162 HydrophobicContact CZ3-CB 4.3Å; W108-I162 HydrophobicContact CZ3-CG1 4.46Å; V112-I162 HydrophobicContact CG2-CD1 3.99Å; W159-I162 WeakPolarHBondContact O-CB 3.49Å; W159-I162 WeakPolarHBondContact O-CG2 3.3Å; W159-I162 PolarHBondContact O-N 3.39Å; W159-I162 VanDerWaalsContact O-N 3.11Å; E160-I162 PolarHBondContact O-N 3.03Å; E160-I162 VanDerWaalsContact O-N 3.1Å; I162-S164 VanDerWaalsContact C-N 3.29Å; I162-S164 PolarHBondContact O-N 3.37Å; I162-Y165 VanDerWaalsContact O-CB 3.31Å; I162-Y165 WeakPolarHBondContact O-CB 3.27Å; I162-Y165 PolarHBondContact O-N 3.21Å; I162-Y165 VanDerWaalsContact O-N 3.08Å; I162-F166 HydrophobicContact CB-CE2 4.02Å; I162-F166 HydrophobicContact CD1-CE2 3.61Å; I162-F166 HydrophobicContact CD1-CZ 3.9Å; I162-F166 HydrophobicContact CG1-CD2 4.2Å; I162-F166 HydrophobicContact CG1-CE2 3.39Å; I162-F166 HydrophobicContact CG1-CZ 4.07Å; I162-F166 HydrophobicContact CG2-CD2 4.33Å; I162-F166 HydrophobicContact CG2-CE2 3.79Å; I162-F166 WeakPolarHBondContact O-CD2 3.4Å; I162-F166 WeakPolarHBondContact O-CE2 3.47Å; I162-F166 PolarHBondContact O-N 3.38Å
163R81.3Confident81.9Confident124 Ų12463 Ų6347%0.46836%0.357SS..Hα-helixtrans-62.9-33.4-176.9-65.8173.260.2-162.4-6.4112.9L60 E160 G161L60-R163 HydrophobicContact CD2-CG 3.79Å; E160-R163 WeakPolarHBondContact O-CB 3.39Å; E160-R163 PolarHBondContact O-N 3.25Å; E160-R163 WeakPolarHBondContact OE2-CD 3.16Å; E160-R163 IonicContact OE2-CZ 3.83Å; E160-R163 IonicContact OE2-NE 3.92Å; E160-R163 IonicContact OE2-NH1 2.9Å; E160-R163 PolarHBondContact OE2-NH1 2.88Å; G161-R163 PolarHBondContact O-N 2.71Å
164S78Confident81.5Confident89 Ų8963.3 Ų63.362%0.62236%0.358SS*.Hα-helixtrans-72-33.4176.966.90000111.7G161 I162 G167G161-S164 PolarHBondContact O-N 3.47Å; G161-S164 PolarHBondContact O-OG 3.41Å; I162-S164 VanDerWaalsContact C-N 3.29Å; I162-S164 PolarHBondContact O-N 3.37Å; S164-G167 PolarHBondContact O-N 3.4Å
165Y74.8Confident81.1Confident29 Ų2959.9 Ų59.911%0.11435%0.348CS..Hα-helixtrans-64-40.3175.6177.9-99.9000112.2I67 W108 G109 I162 G167 T168 T170 W171I67-Y165 HydrophobicContact CD1-CE1 4.48Å; W108-Y165 HydrophobicContact CB-CD1 3.77Å; W108-Y165 HydrophobicContact CB-CD2 4.06Å; W108-Y165 HydrophobicContact CB-CE1 4.37Å; W108-Y165 HydrophobicContact CB-CG 3.61Å; W108-Y165 HydrophobicContact CG-CG 4.39Å; G109-Y165 WeakPolarHBondContact CA-OH 3.45Å; I162-Y165 VanDerWaalsContact O-CB 3.31Å; I162-Y165 WeakPolarHBondContact O-CB 3.27Å; I162-Y165 PolarHBondContact O-N 3.21Å; I162-Y165 VanDerWaalsContact O-N 3.08Å; Y165-G167 PolarHBondContact O-N 3.37Å; Y165-G167 VanDerWaalsContact O-N 3.16Å; Y165-T168 PolarHBondContact O-N 2.93Å; Y165-T168 PolarHBondContact O-OG1 2.85Å; Y165-T170 WeakPolarHBondContact CE2-OG1 3.27Å; Y165-W171 HydrophobicContact CE1-CB 4.06Å
166F70.4Confident80.9Confident38 Ų3857.4 Ų57.417%0.16734%0.342CS..THydrogen-bonded Turntrans-61.3-21.4177.4-72.7-77.1000114.2C63 I67 I162 T168C63-F166 VanDerWaalsContact C-CZ 3.43Å; C63-F166 HydrophobicContact CB-CD1 3.99Å; C63-F166 HydrophobicContact CB-CD2 3.68Å; C63-F166 HydrophobicContact CB-CE1 3.52Å; C63-F166 HydrophobicContact CB-CE2 3.25Å; C63-F166 HydrophobicContact CB-CG 4.08Å; C63-F166 HydrophobicContact CB-CZ 3.22Å; C63-F166 WeakPolarHBondContact O-CE1 3.36Å; C63-F166 WeakPolarHBondContact O-CZ 3.38Å; I67-F166 HydrophobicContact CD1-CD1 3.92Å; I67-F166 HydrophobicContact CD1-CE1 3.06Å; I67-F166 HydrophobicContact CD1-CZ 3.48Å; I67-F166 VanDerWaalsContact CD1-CZ 3.48Å; I67-F166 HydrophobicContact CG1-CD1 4.29Å; I67-F166 HydrophobicContact CG1-CE1 3.53Å; I67-F166 HydrophobicContact CG1-CZ 4.31Å; I162-F166 HydrophobicContact CB-CE2 4.02Å; I162-F166 HydrophobicContact CD1-CE2 3.61Å; I162-F166 HydrophobicContact CD1-CZ 3.9Å; I162-F166 HydrophobicContact CG1-CD2 4.2Å; I162-F166 HydrophobicContact CG1-CE2 3.39Å; I162-F166 HydrophobicContact CG1-CZ 4.07Å; I162-F166 HydrophobicContact CG2-CD2 4.33Å; I162-F166 HydrophobicContact CG2-CE2 3.79Å; I162-F166 WeakPolarHBondContact O-CD2 3.4Å; I162-F166 WeakPolarHBondContact O-CE2 3.47Å; I162-F166 PolarHBondContact O-N 3.38Å; F166-T168 PolarHBondContact O-N 3.38Å
167G67.4Low80.9Confident72 Ų7256.5 Ų56.574%0.74234%0.337SS*.THydrogen-bonded Turntrans-75.8-5.5175.600000114.5S164 Y165S164-G167 PolarHBondContact O-N 3.4Å; Y165-G167 PolarHBondContact O-N 3.37Å; Y165-G167 VanDerWaalsContact O-N 3.16Å
168T71Confident80.9Confident56 Ų5653.2 Ų53.234%0.34430%0.303SS..SBendtrans-114.2148.3-176.570.90000111.1Y165 F166 T170 W171Y165-T168 PolarHBondContact O-N 2.93Å; Y165-T168 PolarHBondContact O-OG1 2.85Å; F166-T168 PolarHBondContact O-N 3.38Å; T168-T170 PolarHBondContact O-N 3.49Å; T168-T170 PolarHBondContact OG1-OG1 3.36Å; T168-W171 PolarHBondContact O-NE1 2.96Å
169P69.1Low80.8Confident88 Ų8852.8 Ų52.857%0.57130%0.299SS*.G310 helixtrans-69.74.1-179.6-5.717.4000114.5W171 Q172P169-W171 PolarHBondContact O-N 3.11Å; P169-Q172 WeakPolarHBondContact O-CB 3.31Å; P169-Q172 WeakPolarHBondContact O-CG 3.29Å; P169-Q172 PolarHBondContact O-N 2.96Å; P169-Q172 VanDerWaalsContact O-N 3.11Å
170T72.1Confident80.8Confident65 Ų6553.9 Ų53.940%0.39931%0.314SS..G310 helixtrans-63.9-28.7-170.356.10000113.1Y165 T168 Q172 T173Y165-T170 WeakPolarHBondContact CE2-OG1 3.27Å; T168-T170 PolarHBondContact O-N 3.49Å; T168-T170 PolarHBondContact OG1-OG1 3.36Å; T170-Q172 PolarHBondContact O-N 3.19Å; T170-T173 PolarHBondContact O-N 3.2Å; T170-T173 PolarHBondContact O-OG1 3.34Å
171W71Confident81Confident60 Ų6051 Ų5123%0.22730%0.301CS..G310 helixtrans-63.4-24176.852.4-103.5000113.4I67 E70 Y165 T168 P169 T173 L174I67-W171 HydrophobicContact CD1-CB 4.43Å; I67-W171 HydrophobicContact CG1-CB 4.34Å; E70-W171 HydrophobicContact CG-CZ3 4.31Å; E70-W171 WeakPolarHBondContact OE1-CH2 3.43Å; E70-W171 WeakPolarHBondContact OE1-CZ3 3.31Å; E70-W171 WeakPolarHBondContact OE2-CZ3 3.32Å; Y165-W171 HydrophobicContact CE1-CB 4.06Å; T168-W171 PolarHBondContact O-NE1 2.96Å; P169-W171 PolarHBondContact O-N 3.11Å; W171-T173 PolarHBondContact O-N 2.94Å; W171-T173 VanDerWaalsContact O-N 3.15Å; W171-L174 WeakPolarHBondContact O-CB 3.45Å; W171-L174 PolarHBondContact O-N 3.46Å
172Q73.3Confident81.2Confident130 Ų13050.5 Ų50.561%0.60730%0.296SS*.G310 helixtrans-62.2-26.7179.9-67.6178.7-20.300112.8P169 T170P169-Q172 WeakPolarHBondContact O-CB 3.31Å; P169-Q172 WeakPolarHBondContact O-CG 3.29Å; P169-Q172 PolarHBondContact O-N 2.96Å; P169-Q172 VanDerWaalsContact O-N 3.11Å; T170-Q172 PolarHBondContact O-N 3.19Å
173T84.3Confident81.5Confident93 Ų9352.7 Ų52.757%0.57131%0.309SS*.G310 helixtrans-91.3-3.4179.162.70000113.1T170 W171 G175 V176 F177T170-T173 PolarHBondContact O-N 3.2Å; T170-T173 PolarHBondContact O-OG1 3.34Å; W171-T173 PolarHBondContact O-N 2.94Å; W171-T173 VanDerWaalsContact O-N 3.15Å; T173-G175 PolarHBondContact O-N 3.22Å; T173-V176 PolarHBondContact O-N 3.37Å; T173-F177 PolarHBondContact O-N 2.9Å
174L85.6Confident81.9Confident7 Ų749.9 Ų49.94%0.03731%0.306CS..Hα-helixtrans-65.5-37-172.8-171.263.7000112.9I67 L71 G109 V112 A113 W171 F177 L178I67-L174 HydrophobicContact CG2-CD2 3.68Å; L71-L174 HydrophobicContact CD1-CD2 4.21Å; L71-L174 HydrophobicContact CD2-CB 4.22Å; L71-L174 HydrophobicContact CD2-CD2 4.26Å; L71-L174 HydrophobicContact CD2-CG 4.06Å; G109-L174 VanDerWaalsContact O-CD1 3.28Å; G109-L174 WeakPolarHBondContact O-CD1 3.48Å; V112-L174 HydrophobicContact CB-CD2 4.39Å; V112-L174 HydrophobicContact CG1-CD2 4.4Å; A113-L174 HydrophobicContact CB-CD1 4.23Å; W171-L174 WeakPolarHBondContact O-CB 3.45Å; W171-L174 PolarHBondContact O-N 3.46Å; L174-F177 HydrophobicContact CD1-CD1 4.05Å; L174-F177 PolarHBondContact O-N 3.03Å; L174-L178 WeakPolarHBondContact O-CB 3.31Å; L174-L178 PolarHBondContact O-N 3.12Å
175G85.2Confident82.3Confident7 Ų746 Ų467%0.07228%0.279CS..Hα-helixtrans-62-43.217700000112.5L71 T173 L178 A179L71-G175 VanDerWaalsContact CD2-CA 3.46Å; T173-G175 PolarHBondContact O-N 3.22Å; G175-L178 PolarHBondContact O-N 3.41Å; G175-A179 VanDerWaalsContact O-CB 3.31Å; G175-A179 WeakPolarHBondContact O-CB 3.45Å; G175-A179 PolarHBondContact O-N 3.02Å
176V89.6Confident82.7Confident90 Ų9045.4 Ų45.455%0.54528%0.278SS..Hα-helixtrans-65.3-44.4176.6179.60000110.5T173 A179 G180T173-V176 PolarHBondContact O-N 3.37Å; V176-A179 PolarHBondContact O-N 3.27Å; V176-G180 PolarHBondContact O-N 3.45Å
177F91.8Very high83.4Confident64 Ų6447.3 Ų47.328%0.28129%0.292SS..Hα-helixtrans-56.8-51.9175.2168-99000111.7I100 R110 T173 L174 A179 G180 V181I100-F177 HydrophobicContact CG2-CE1 4.32Å; I100-F177 HydrophobicContact CG2-CZ 4.49Å; R110-F177 HydrophobicContact CG-CE1 3.97Å; R110-F177 HydrophobicContact CG-CZ 4.05Å; T173-F177 PolarHBondContact O-N 2.9Å; L174-F177 HydrophobicContact CD1-CD1 4.05Å; L174-F177 PolarHBondContact O-N 3.03Å; F177-A179 PolarHBondContact O-N 2.56Å; F177-G180 PolarHBondContact O-N 2.78Å; F177-V181 HydrophobicContact CE1-CG2 4.02Å; F177-V181 HydrophobicContact CE2-CG2 4.02Å; F177-V181 HydrophobicContact CZ-CG2 3.75Å; F177-V181 WeakPolarHBondContact O-CG2 3.44Å; F177-V181 PolarHBondContact O-N 3.43Å
178L90.6Very high83.9Confident0 Ų047 Ų470%027%0.272CS..Hα-helixtrans-67.2-36.3-178-174.155.1000112.1L77 I100 A113 Y116 L174 G175 G180 V181 L182L77-L178 HydrophobicContact CD1-CB 4.11Å; L77-L178 HydrophobicContact CD1-CD2 3.92Å; L77-L178 HydrophobicContact CD1-CG 3.7Å; L77-L178 HydrophobicContact CD2-CB 4.44Å; L77-L178 HydrophobicContact CD2-CD2 4.08Å; L77-L178 HydrophobicContact CD2-CG 4.48Å; I100-L178 HydrophobicContact CD1-CD1 4.28Å; I100-L178 HydrophobicContact CG1-CD1 4.45Å; A113-L178 HydrophobicContact CB-CD1 4.18Å; A113-L178 HydrophobicContact CB-CD2 4.14Å; Y116-L178 HydrophobicContact CD1-CD2 3.73Å; Y116-L178 HydrophobicContact CE1-CD2 4.41Å; L174-L178 WeakPolarHBondContact O-CB 3.31Å; L174-L178 PolarHBondContact O-N 3.12Å; G175-L178 PolarHBondContact O-N 3.41Å; L178-G180 VanDerWaalsContact C-N 3.32Å; L178-G180 PolarHBondContact O-N 3.21Å; L178-V181 HydrophobicContact CD1-CB 4.43Å; L178-V181 PolarHBondContact O-N 3.42Å; L178-L182 HydrophobicContact CD1-CG 4.4Å; L178-L182 HydrophobicContact CG-CD1 4.49Å; L178-L182 WeakPolarHBondContact O-CG 3.39Å; L178-L182 PolarHBondContact O-N 3.2Å
179A90.6Very high83.9Confident0 Ų050 Ų500%028%0.277CS..Hα-helixtrans-59.6-42.8172.700000111.8E76 L77 G175 V176 F177 L182 T183E76-A179 HydrophobicContact CB-CB 4.39Å; E76-A179 HydrophobicContact CG-CB 4.08Å; L77-A179 HydrophobicContact CB-CB 4.26Å; G175-A179 VanDerWaalsContact O-CB 3.31Å; G175-A179 WeakPolarHBondContact O-CB 3.45Å; G175-A179 PolarHBondContact O-N 3.02Å; V176-A179 PolarHBondContact O-N 3.27Å; F177-A179 PolarHBondContact O-N 2.56Å; A179-L182 PolarHBondContact O-N 2.9Å; A179-T183 WeakPolarHBondContact O-CB 3.48Å; A179-T183 PolarHBondContact O-N 3.34Å; A179-T183 PolarHBondContact O-OG1 3.24Å
180G92.3Very high83.6Confident35 Ų3553.8 Ų53.836%0.36129%0.285SS..Hα-helixtrans-63.1-43.5174.900000113.1V176 F177 L178 T183 T184V176-G180 PolarHBondContact O-N 3.45Å; F177-G180 PolarHBondContact O-N 2.78Å; L178-G180 VanDerWaalsContact C-N 3.32Å; L178-G180 PolarHBondContact O-N 3.21Å; G180-T183 PolarHBondContact O-N 3.07Å; G180-T184 PolarHBondContact O-N 3.25Å; G180-T184 PolarHBondContact O-OG1 2.78Å
181V92.4Very high82.8Confident12 Ų1259.8 Ų59.87%0.07331%0.311CS..Hα-helixtrans-58.2-49.5174.4168.70000111.1V96 Q99 I100 F177 L178 T184 A185V96-V181 HydrophobicContact CG1-CG1 4.12Å; Q99-V181 HydrophobicContact CB-CG1 3.8Å; I100-V181 HydrophobicContact CG1-CG1 3.91Å; F177-V181 HydrophobicContact CE1-CG2 4.02Å; F177-V181 HydrophobicContact CE2-CG2 4.02Å; F177-V181 HydrophobicContact CZ-CG2 3.75Å; F177-V181 WeakPolarHBondContact O-CG2 3.44Å; F177-V181 PolarHBondContact O-N 3.43Å; L178-V181 HydrophobicContact CD1-CB 4.43Å; L178-V181 PolarHBondContact O-N 3.42Å; V181-T184 PolarHBondContact O-N 3.44Å; V181-A185 PolarHBondContact O-N 3.4Å
182L90.1Very high83.4Confident0 Ų059.8 Ų59.80%032%0.315CS..Hα-helixtrans-65.1-41.6-179.7-69.9178.9000112.2L77 M80 I81 V96 F117 L178 A179 T184 A185 L186L77-L182 HydrophobicContact CD1-CD1 3.53Å; M80-L182 HydrophobicContact CB-CB 3.99Å; M80-L182 HydrophobicContact CB-CD1 4.09Å; I81-L182 HydrophobicContact CD1-CD1 4.23Å; I81-L182 HydrophobicContact CG1-CD1 3.55Å; V96-L182 HydrophobicContact CB-CD2 4.49Å; V96-L182 HydrophobicContact CG1-CD2 3.84Å; V96-L182 HydrophobicContact CG2-CD2 3.77Å; F117-L182 HydrophobicContact CD2-CD2 3.82Å; F117-L182 HydrophobicContact CE2-CD2 3.48Å; F117-L182 VanDerWaalsContact CE2-CD2 3.48Å; F117-L182 HydrophobicContact CZ-CD2 4.19Å; L178-L182 HydrophobicContact CD1-CG 4.4Å; L178-L182 HydrophobicContact CG-CD1 4.49Å; L178-L182 WeakPolarHBondContact O-CG 3.39Å; L178-L182 PolarHBondContact O-N 3.2Å; A179-L182 PolarHBondContact O-N 2.9Å; L182-T184 VanDerWaalsContact C-N 3.28Å; L182-T184 PolarHBondContact O-N 3.29Å; L182-A185 PolarHBondContact O-N 3.26Å; L182-L186 WeakPolarHBondContact O-CB 3.45Å; L182-L186 VanDerWaalsContact O-CG 3.27Å; L182-L186 WeakPolarHBondContact O-CG 3.49Å; L182-L186 PolarHBondContact O-N 3.48Å
183T90.2Very high83.9Confident47 Ų4756.1 Ų56.129%0.28830%0.299SS..Hα-helixtrans-55-48174.9-59.10000110.5M80 A179 G180 A185 L186 V187M80-T183 WeakPolarHBondContact CE-OG1 3.48Å; A179-T183 WeakPolarHBondContact O-CB 3.48Å; A179-T183 PolarHBondContact O-N 3.34Å; A179-T183 PolarHBondContact O-OG1 3.24Å; G180-T183 PolarHBondContact O-N 3.07Å; T183-A185 PolarHBondContact O-N 3.04Å; T183-L186 PolarHBondContact O-N 2.98Å; T183-V187 HydrophobicContact CG2-CG2 4.47Å; T183-V187 VanDerWaalsContact O-CG2 3.3Å; T183-V187 WeakPolarHBondContact O-CG2 3.41Å; T183-V187 PolarHBondContact O-N 3.11Å
184T89.4Confident83.9Confident66 Ų6654.1 Ų54.141%0.40528%0.284SS..Hα-helixtrans-63.1-45.4179.1-48.50000111.1G180 V181 L182 L186 V187 M188G180-T184 PolarHBondContact O-N 3.25Å; G180-T184 PolarHBondContact O-OG1 2.78Å; V181-T184 PolarHBondContact O-N 3.44Å; L182-T184 VanDerWaalsContact C-N 3.28Å; L182-T184 PolarHBondContact O-N 3.29Å; T184-L186 PolarHBondContact O-N 3.05Å; T184-V187 PolarHBondContact O-N 3.25Å; T184-M188 HydrophobicContact CG2-CE 3.81Å; T184-M188 HydrophobicContact CG2-SD 4.45Å; T184-M188 WeakPolarHBondContact O-CB 3.38Å; T184-M188 VanDerWaalsContact O-CG 3.3Å; T184-M188 WeakPolarHBondContact O-CG 3.22Å; T184-M188 PolarHBondContact O-N 3.46Å
185A86.4Confident83.8Confident6 Ų656.8 Ų56.85%0.0530%0.299CS..Hα-helixtrans-61.2-40.9178.500000113.1K95 V96 V181 L182 T183 R189K95-A185 HydrophobicContact CD-CB 4.48Å; K95-A185 WeakPolarHBondContact CE-O 3.35Å; K95-A185 HydrophobicContact CG-CB 4.44Å; K95-A185 PolarHBondContact NZ-O 3.49Å; K95-A185 VanDerWaalsContact NZ-O 3.16Å; V96-A185 HydrophobicContact CG2-CB 3.79Å; V181-A185 PolarHBondContact O-N 3.4Å; L182-A185 PolarHBondContact O-N 3.26Å; T183-A185 PolarHBondContact O-N 3.04Å; A185-R189 PolarHBondContact O-N 3.27Å
186L84.6Confident83.7Confident18 Ų1859.9 Ų59.99%0.09431%0.313CS..Hα-helixtrans-71.1-42.4178.4-70174.5000112.2M80 D83 A85 L86 L182 T183 T184 R189 K190M80-L186 HydrophobicContact CB-CD1 4.27Å; M80-L186 HydrophobicContact SD-CD1 4.14Å; D83-L186 HydrophobicContact CB-CD1 4.3Å; A85-L186 HydrophobicContact CB-CD2 4.23Å; L86-L186 HydrophobicContact CB-CD2 4.38Å; L86-L186 HydrophobicContact CD1-CD2 4.17Å; L182-L186 WeakPolarHBondContact O-CB 3.45Å; L182-L186 VanDerWaalsContact O-CG 3.27Å; L182-L186 WeakPolarHBondContact O-CG 3.49Å; L182-L186 PolarHBondContact O-N 3.48Å; T183-L186 PolarHBondContact O-N 2.98Å; T184-L186 PolarHBondContact O-N 3.05Å; L186-R189 WeakPolarHBondContact O-CB 3.33Å; L186-R189 PolarHBondContact O-N 3.22Å; L186-R189 VanDerWaalsContact O-N 3.12Å; L186-K190 PolarHBondContact O-N 3.19Å
187V84.9Confident83.3Confident78 Ų7857.9 Ų57.947%0.47330%0.298SS..Hα-helixtrans-62.3-48.3175.8170.20000110.6T183 T184 R189 K190 M191T183-V187 HydrophobicContact CG2-CG2 4.47Å; T183-V187 VanDerWaalsContact O-CG2 3.3Å; T183-V187 WeakPolarHBondContact O-CG2 3.41Å; T183-V187 PolarHBondContact O-N 3.11Å; T184-V187 PolarHBondContact O-N 3.25Å; V187-R189 PolarHBondContact O-N 2.97Å; V187-K190 PolarHBondContact O-N 3.23Å; V187-M191 HydrophobicContact CG1-CE 4.37Å; V187-M191 PolarHBondContact O-N 2.74Å
188M78.5Confident82.7Confident65 Ų6557.5 Ų57.532%0.3230%0.299SS..Hα-helixtrans-64.3-8.9176-70.1-169.7-70.800113.9K95 Q99 T184 M191K95-M188 VanDerWaalsContact NZ-CB 3.25Å; K95-M188 PolarHBondContact NZ-O 3.29Å; Q99-M188 HydrophobicContact CG-CE 3.92Å; T184-M188 HydrophobicContact CG2-CE 3.81Å; T184-M188 HydrophobicContact CG2-SD 4.45Å; T184-M188 WeakPolarHBondContact O-CB 3.38Å; T184-M188 VanDerWaalsContact O-CG 3.3Å; T184-M188 WeakPolarHBondContact O-CG 3.22Å; T184-M188 PolarHBondContact O-N 3.46Å; M188-M191 HydrophobicContact CG-CE 4.42Å
189R70.4Confident82.1Confident120 Ų12061.9 Ų61.945%0.45332%0.322SS..Hα-helixtrans-92-25.5174.8179.6179.1172.8157.27.3111.5A85 S87 A185 L186 V187A85-R189 PolarHBondContact O-NH1 3.42Å; S87-R189 PolarHBondContact OG-NH1 2.97Å; A185-R189 PolarHBondContact O-N 3.27Å; L186-R189 WeakPolarHBondContact O-CB 3.33Å; L186-R189 PolarHBondContact O-N 3.22Å; L186-R189 VanDerWaalsContact O-N 3.12Å; V187-R189 PolarHBondContact O-N 2.97Å
190K63.5Low81.4Confident167 Ų16767.1 Ų67.173%0.72635%0.349SS*.Hα-helixtrans-84.8-20.6179.3-72.7-173176178.10113.1L186 V187L186-K190 PolarHBondContact O-N 3.19Å; V187-K190 PolarHBondContact O-N 3.23Å
191M54.2Low80.4Confident191 Ų19170 Ų7094%0.94135%0.348SS*.  trans-84.80170.1-61-170.5-62.100110.3V187 M188V187-M191 HydrophobicContact CG1-CE 4.37Å; V187-M191 PolarHBondContact O-N 2.74Å; M188-M191 HydrophobicContact CG-CE 4.42Å

Retrieved 191 of 191 residues in 131.5 ms (Link to these results)

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