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3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase

Isomerase that catalyzes the conversion of Delta(8)-sterols to their corresponding Delta(7)-isomers a catalytic step in the postlanosterol biosynthesis of cholesterol. Component of the microsomal antiestrogen binding site (AEBS), a multiproteic complex at the ER membrane that consists of an association between EBP and 7-dehydrocholesterol reductase/DHCR71,2. This complex is responsible for cholesterol-5,6-epoxide hydrolase (ChEH) activity, which consists in the hydration of cholesterol-5,6-epoxides (5,6-EC) into cholestane-3beta,5alpha,6beta-triol (CT)3. The precise role of each component of this complex has not been described yet4.

AlphaFold DB , UniProt , Accession Q15125, Species HUMAN (Homo sapiens, Human), Gene EBP, Length 230 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
1M39Very low67.4Low239 Ų23999.8 Ų99.8100%1.17760%0.597SS**  0101.80-68.2175.6-164.400107.1T3M1-T3 PolarHBondContact O-N 3.45Å; M1-T3 VanDerWaalsContact O-N 3.17Å
2T45.1Very low69.9Low124 Ų12497.5 Ų97.576%0.76157%0.57SS**  trans-75.499.9170.945.90000106.8N4T2-N4 PolarHBondContact O-N 3.36Å
3T53.3Low71.8Confident129 Ų12991.5 Ų91.579%0.79154%0.536SS*.  trans-62.596.2162.549.70000105.8M1 A5M1-T3 PolarHBondContact O-N 3.45Å; M1-T3 VanDerWaalsContact O-N 3.17Å; T3-A5 PolarHBondContact O-N 3.13Å
4N52.9Low73.4Confident132 Ų13293.6 Ų93.671%0.70654%0.538SS*.  trans-65.585.8169.8-81.3-8.4000106.6T2 G6T2-N4 PolarHBondContact O-N 3.36Å; N4-G6 PolarHBondContact O-N 3.48Å; N4-G6 VanDerWaalsContact O-N 3.08Å
5A59.3Low74.6Confident93 Ų9397.9 Ų97.977%0.76955%0.551SS**  trans-62.9109.4171.200000106.2T3T3-A5 PolarHBondContact O-N 3.13Å
6G56.9Low75.7Confident40 Ų4095.8 Ų95.841%0.41254%0.537SS..PPolyproline II helixtrans-56.1164.4164.600000110N4 L8N4-G6 PolarHBondContact O-N 3.48Å; N4-G6 VanDerWaalsContact O-N 3.08Å; G6-L8 PolarHBondContact O-N 3.19Å
7P64.1Low76.5Confident88 Ų88100 Ų10057%0.57154%0.543SS*.PPolyproline II helixtrans-55.3134.5174.923-31.2000110.3H9 F21P7-H9 PolarHBondContact O-N 3.08Å; P7-F21 HydrophobicContact CG-CD1 4.49Å
8L84.6Confident77.4Confident175 Ų17595.6 Ų95.692%0.91652%0.519SS*.PPolyproline II helixtrans-59124.5176.1-150.589.8000108.8G6G6-L8 PolarHBondContact O-N 3.19Å
9H93.8Very high77.9Confident18 Ų1895.2 Ų95.28%0.08352%0.516CS..  trans-108.1155.6178.865.267.3000111.5P7 Y11 L16 L18 F21P7-H9 PolarHBondContact O-N 3.08Å; H9-Y11 VanDerWaalsContact C-N 3.32Å; H9-Y11 HydrophobicContact CB-CD2 4.04Å; H9-Y11 PolarHBondContact CE1-O 3.37Å; H9-Y11 PolarHBondContact ND1-N 3.18Å; H9-Y11 PolarHBondContact ND1-O 2.87Å; H9-Y11 VanDerWaalsContact ND1-O 3.17Å; H9-Y11 PolarHBondContact O-N 3.22Å; H9-L16 PolarHBondContact NE2-O 3.42Å; H9-L18 HydrophobicContact CB-CD1 4.1Å; H9-L18 VanDerWaalsContact CD2-CD1 3.43Å; H9-L18 WeakPolarHBondContact CD2-CD1 3.25Å; H9-F21 HydrophobicContact CB-CD1 3.79Å; H9-F21 HydrophobicContact CB-CE1 3.78Å; H9-F21 HydrophobicContact CB-CG 4.29Å; H9-F21 HydrophobicContact CB-CZ 4.29Å
10P95.2Very high78.5Confident55 Ų5597.5 Ų97.536%0.35753%0.528SS..SBendtrans-82.6-4.9-178.533.8-36.4000114.5K106P10-K106 HydrophobicContact CB-CG 4.41Å; P10-K106 HydrophobicContact CG-CG 4.36Å
11Y96.9Very high79.2Confident5 Ų593.7 Ų93.72%0.0251%0.507CS..SBendtrans-85.3166.2-173.5-49.2-65.9000113.9H9 L18 F21 K102 A105 K106 I112H9-Y11 VanDerWaalsContact C-N 3.32Å; H9-Y11 HydrophobicContact CB-CD2 4.04Å; H9-Y11 PolarHBondContact CE1-O 3.37Å; H9-Y11 PolarHBondContact ND1-N 3.18Å; H9-Y11 PolarHBondContact ND1-O 2.87Å; H9-Y11 VanDerWaalsContact ND1-O 3.17Å; H9-Y11 PolarHBondContact O-N 3.22Å; Y11-L18 HydrophobicContact CD2-CD1 3.53Å; Y11-L18 HydrophobicContact CE2-CD1 4.36Å; Y11-L18 HydrophobicContact CG-CD1 4.32Å; Y11-F21 AromaticContact CE2-CD2 3.93Å; Y11-F21 HydrophobicContact CE2-CD2 3.93Å; Y11-F21 AromaticContact CE2-CE2 3.54Å; Y11-F21 HydrophobicContact CE2-CE2 3.54Å; Y11-F21 HydrophobicContact CE2-CZ 4.2Å; Y11-K102 VanDerWaalsContact CE1-O 3.32Å; Y11-K102 WeakPolarHBondContact CE1-O 3.24Å; Y11-K102 WeakPolarHBondContact OH-CA 3.37Å; Y11-K102 VanDerWaalsContact OH-CB 3.22Å; Y11-K102 WeakPolarHBondContact OH-CB 3.48Å; Y11-K102 WeakPolarHBondContact OH-CG 3.42Å; Y11-K102 PolarHBondContact OH-O 3.36Å; Y11-A105 HydrophobicContact CD1-CB 4.06Å; Y11-A105 HydrophobicContact CE1-CB 3.73Å; Y11-K106 HydrophobicContact CE1-CG 4.2Å; Y11-I112 HydrophobicContact CD1-CG2 3.89Å; Y11-I112 HydrophobicContact CD2-CG1 4.44Å; Y11-I112 HydrophobicContact CD2-CG2 3.9Å; Y11-I112 HydrophobicContact CE1-CG2 4.31Å; Y11-I112 HydrophobicContact CE2-CG1 4.06Å; Y11-I112 HydrophobicContact CE2-CG2 4.27Å; Y11-I112 HydrophobicContact CG-CG2 3.67Å
12W97.1Very high82Confident72 Ų7285.3 Ų85.327%0.27347%0.469SS..SBendtrans-119.4142.7-176-70.178.4000112.1Q14 S109 Q175 E178W12-Q14 HydrophobicContact CD2-CG 4.11Å; W12-Q14 HydrophobicContact CE3-CG 4.32Å; W12-Q14 HydrophobicContact CH2-CG 4.49Å; W12-Q14 HydrophobicContact CZ2-CG 4.3Å; W12-S109 PolarHBondContact N-OG 2.64Å; W12-S109 WeakPolarHBondContact O-CB 3.44Å; W12-S109 PolarHBondContact O-OG 3.23Å; W12-Q175 WeakPolarHBondContact CB-O 3.4Å; W12-E178 HydrophobicContact CH2-CG 4.48Å; W12-E178 HydrophobicContact CZ2-CB 3.72Å; W12-E178 HydrophobicContact CZ2-CG 3.74Å
13P95.7Very high84.4Confident20 Ų2083.2 Ų83.213%0.1346%0.457CS..SBendcis-65.5139-6.6-23.233.5000114H15 L16P13-H15 WeakPolarHBondContact CB-CE1 3.39Å; P13-H15 WeakPolarHBondContact CB-ND1 3.46Å; P13-H15 PolarHBondContact O-N 3.31Å; P13-H15 VanDerWaalsContact O-N 3.08Å; P13-L16 HydrophobicContact CB-CG 4.31Å; P13-L16 HydrophobicContact CG-CD1 4.47Å; P13-L16 WeakPolarHBondContact O-CB 3.47Å; P13-L16 WeakPolarHBondContact O-CG 3.38Å; P13-L16 PolarHBondContact O-N 2.98Å; P13-L16 VanDerWaalsContact O-N 3.12Å
14Q93.4Very high86.5Confident120 Ų12078.9 Ų78.956%0.56143%0.429SS*.THydrogen-bonded Turntrans-65.3-15.6-174.4-68.1-174.6-25.500114.9W12W12-Q14 HydrophobicContact CD2-CG 4.11Å; W12-Q14 HydrophobicContact CE3-CG 4.32Å; W12-Q14 HydrophobicContact CH2-CG 4.49Å; W12-Q14 HydrophobicContact CZ2-CG 4.3Å
15H91.6Very high88.6Confident159 Ų15977.9 Ų77.974%0.73642%0.424SS*.THydrogen-bonded Turntrans-86.7-7.9179.567.4-92.7000113P13P13-H15 WeakPolarHBondContact CB-CE1 3.39Å; P13-H15 WeakPolarHBondContact CB-ND1 3.46Å; P13-H15 PolarHBondContact O-N 3.31Å; P13-H15 VanDerWaalsContact O-N 3.08Å
16L91.8Very high90.4Very high64 Ų6477.9 Ų77.934%0.33540%0.404SS..SBendtrans-64.4152176.1-68.8-175.6000110.4H9 P13 L113H9-L16 PolarHBondContact NE2-O 3.42Å; P13-L16 HydrophobicContact CB-CG 4.31Å; P13-L16 HydrophobicContact CG-CD1 4.47Å; P13-L16 WeakPolarHBondContact O-CB 3.47Å; P13-L16 WeakPolarHBondContact O-CG 3.38Å; P13-L16 PolarHBondContact O-N 2.98Å; P13-L16 VanDerWaalsContact O-N 3.12Å; L16-L113 HydrophobicContact CD1-CD1 3.95Å; L16-L113 HydrophobicContact CD1-CD2 3.65Å; L16-L113 HydrophobicContact CD1-CG 4.48Å
17R89.7Confident92.3Very high167 Ų16778.9 Ų78.963%0.6340%0.403SS*.  trans-102.8111.5173.5-179.3175.2168179.3-9.1108.3D19R17-D19 IonicContact CZ-OD1 3.22Å; R17-D19 IonicContact NE-OD1 2.72Å; R17-D19 PolarHBondContact NE-OD1 3.08Å; R17-D19 IonicContact NE-OD2 3.73Å; R17-D19 IonicContact NH2-OD1 2.86Å; R17-D19 PolarHBondContact NH2-OD1 3.02Å; R17-D19 IonicContact NH2-OD2 3.88Å
18L92.1Very high93.9Very high20 Ų2076.8 Ų76.811%0.10539%0.389CS..  trans-99.686.8177-56.5179.9000109.3H9 Y11 F21 L91 L113H9-L18 HydrophobicContact CB-CD1 4.1Å; H9-L18 VanDerWaalsContact CD2-CD1 3.43Å; H9-L18 WeakPolarHBondContact CD2-CD1 3.25Å; Y11-L18 HydrophobicContact CD2-CD1 3.53Å; Y11-L18 HydrophobicContact CE2-CD1 4.36Å; Y11-L18 HydrophobicContact CG-CD1 4.32Å; L18-F21 HydrophobicContact CB-CB 4.08Å; L18-F21 WeakPolarHBondContact O-CB 3.32Å; L18-F21 PolarHBondContact O-N 3.21Å; L18-L91 HydrophobicContact CB-CD1 4.3Å; L18-L91 HydrophobicContact CB-CD2 3.98Å; L18-L91 HydrophobicContact CD1-CD2 3.97Å; L18-L91 HydrophobicContact CD2-CD1 4.46Å; L18-L91 HydrophobicContact CG-CD2 4.41Å; L18-L113 HydrophobicContact CD2-CD2 3.7Å
19D86.9Confident94.4Very high88 Ų8876.1 Ų76.147%0.47137%0.374SS..THydrogen-bonded Turntrans-59.5142.8174.3-71.5-38000109.8R17 F21R17-D19 IonicContact CZ-OD1 3.22Å; R17-D19 IonicContact NE-OD1 2.72Å; R17-D19 PolarHBondContact NE-OD1 3.08Å; R17-D19 IonicContact NE-OD2 3.73Å; R17-D19 IonicContact NH2-OD1 2.86Å; R17-D19 PolarHBondContact NH2-OD1 3.02Å; R17-D19 IonicContact NH2-OD2 3.88Å; D19-F21 PolarHBondContact O-N 3.38Å
20N89.6Confident94.6Very high141 Ų14179.6 Ų79.675%0.75439%0.39SS*.THydrogen-bonded Turntrans65.79.9-176.1-45.2-46.7000116.1V22 G92N20-V22 PolarHBondContact O-N 3.29Å; N20-V22 VanDerWaalsContact O-N 3.14Å; N20-G92 WeakPolarHBondContact O-CA 3.42Å
21F95.1Very high94.8Very high18 Ų1877 Ų778%0.07937%0.373CS..  trans-59.1120.4174.2172.3-118.8000111.4P7 H9 Y11 L18 D19 P23 L91P7-F21 HydrophobicContact CG-CD1 4.49Å; H9-F21 HydrophobicContact CB-CD1 3.79Å; H9-F21 HydrophobicContact CB-CE1 3.78Å; H9-F21 HydrophobicContact CB-CG 4.29Å; H9-F21 HydrophobicContact CB-CZ 4.29Å; Y11-F21 AromaticContact CE2-CD2 3.93Å; Y11-F21 HydrophobicContact CE2-CD2 3.93Å; Y11-F21 AromaticContact CE2-CE2 3.54Å; Y11-F21 HydrophobicContact CE2-CE2 3.54Å; Y11-F21 HydrophobicContact CE2-CZ 4.2Å; L18-F21 HydrophobicContact CB-CB 4.08Å; L18-F21 WeakPolarHBondContact O-CB 3.32Å; L18-F21 PolarHBondContact O-N 3.21Å; D19-F21 PolarHBondContact O-N 3.38Å; F21-P23 HydrophobicContact CE1-CG 3.79Å; F21-P23 HydrophobicContact CZ-CB 4.21Å; F21-P23 HydrophobicContact CZ-CG 3.92Å; F21-L91 HydrophobicContact CB-CD2 4.19Å; F21-L91 HydrophobicContact CD2-CD2 4.04Å
22V95.8Very high94.8Very high64 Ų6478.7 Ų78.739%0.38838%0.383SS..  trans-117.2119.2169.8-172.70000108.3N20 L91 Q94 K102N20-V22 PolarHBondContact O-N 3.29Å; N20-V22 VanDerWaalsContact O-N 3.14Å; V22-L91 PolarHBondContact N-O 3.24Å; V22-Q94 PolarHBondContact O-NE2 3.12Å; V22-K102 PolarHBondContact O-NZ 3.05Å
23P95.9Very high94.8Very high79 Ų7977.4 Ų77.451%0.51339%0.387SS..  trans-54.3154.4174.2-24.833.2000112.2F21 D25 Q94F21-P23 HydrophobicContact CE1-CG 3.79Å; F21-P23 HydrophobicContact CZ-CB 4.21Å; F21-P23 HydrophobicContact CZ-CG 3.92Å; P23-D25 PolarHBondContact O-N 2.99Å; P23-Q94 PolarHBondContact O-NE2 3.41Å
24N97.6Very high94.9Very high38 Ų3877.5 Ų77.520%0.20339%0.392CS..  trans-60.4132.6171.6-72.4-4.1000110.3R26 I31 Q99 K102N24-R26 VanDerWaalsContact C-N 3.35Å; N24-I31 HydrophobicContact CB-CD1 4.46Å; N24-I31 WeakPolarHBondContact ND2-CD1 3.3Å; N24-Q99 HydrophobicContact CB-CB 4.47Å; N24-Q99 HydrophobicContact CB-CG 4.33Å; N24-Q99 PolarHBondContact ND2-O 3.13Å; N24-Q99 WeakPolarHBondContact OD1-CA 3.5Å; N24-Q99 WeakPolarHBondContact OD1-CG 3.46Å; N24-K102 WeakPolarHBondContact OD1-CB 3.27Å; N24-K102 WeakPolarHBondContact OD1-CD 3.36Å; N24-K102 WeakPolarHBondContact OD1-CE 3.43Å; N24-K102 PolarHBondContact OD1-NZ 3.15Å
25D97.1Very high95.1Very high111 Ų11173.3 Ų73.359%0.59437%0.373SS*.SBendtrans-80.1-20.3170.269-4.3000112.2P23 Q99P23-D25 PolarHBondContact O-N 2.99Å; D25-Q99 VanDerWaalsContact OD1-CD 3.28Å; D25-Q99 PolarHBondContact OD1-NE2 2.95Å; D25-Q99 PolarHBondContact OD1-OE1 2.73Å; D25-Q99 VanDerWaalsContact OD1-OE1 3.07Å
26R97Very high95.3Very high94 Ų9470.7 Ų70.736%0.35536%0.36SS..SBendtrans-91.6133.4173.7-65.4175.2-177.797.92.9110.6N24 I31 Q94 Q99N24-R26 VanDerWaalsContact C-N 3.35Å; R26-I31 HydrophobicContact CB-CD1 4.21Å; R26-I31 HydrophobicContact CB-CG1 3.93Å; R26-Q94 PolarHBondContact NH1-O 3.31Å; R26-Q99 VanDerWaalsContact N-OE1 3.12Å
27P97.4Very high95.6Very high61 Ų6171.3 Ų71.340%0.39637%0.369SS..  trans-68.1152.3172.431.4-36.5000110.7W29 H30 I31P27-W29 VanDerWaalsContact C-N 3.26Å; P27-W29 VanDerWaalsContact CG-NE1 3.32Å; P27-W29 PolarHBondContact O-N 3.28Å; P27-W29 VanDerWaalsContact O-N 3.12Å; P27-H30 WeakPolarHBondContact CD-ND1 3.36Å; P27-H30 HydrophobicContact CG-CB 4.21Å; P27-H30 WeakPolarHBondContact CG-ND1 3.35Å; P27-H30 WeakPolarHBondContact O-CB 3.24Å; P27-H30 PolarHBondContact O-N 3.09Å; P27-I31 PolarHBondContact O-N 3.07Å
28T96.5Very high96Very high43 Ų4367 Ų6726%0.26436%0.361SS..Hα-helixtrans-47.8-44-177.7-58.40000113.3H30 I31 L32 E103T28-H30 VanDerWaalsContact C-N 3.3Å; T28-H30 PolarHBondContact O-N 3.07Å; T28-I31 WeakPolarHBondContact O-CB 3.29Å; T28-I31 PolarHBondContact O-N 3.27Å; T28-L32 HydrophobicContact CG2-CD1 3.77Å; T28-L32 HydrophobicContact CG2-CG 4.07Å; T28-L32 WeakPolarHBondContact O-CG 3.33Å; T28-L32 PolarHBondContact O-N 3.37Å; T28-E103 HydrophobicContact CG2-CG 4.04Å; T28-E103 VanDerWaalsContact CG2-OE1 3.22Å; T28-E103 WeakPolarHBondContact CG2-OE1 3.31Å; T28-E103 PolarHBondContact OG1-OE2 2.98Å
29W97Very high96.3Very high161 Ų16167.2 Ų67.261%0.6136%0.364SS*.Hα-helixtrans-62.6-34.7-178.173.1-98000113.2P27 A33P27-W29 VanDerWaalsContact C-N 3.26Å; P27-W29 VanDerWaalsContact CG-NE1 3.32Å; P27-W29 PolarHBondContact O-N 3.28Å; P27-W29 VanDerWaalsContact O-N 3.12Å; W29-A33 WeakPolarHBondContact O-CB 3.21Å; W29-A33 PolarHBondContact O-N 2.94Å
30H98.1Very high96.8Very high91 Ų9164.6 Ų64.642%0.42136%0.357SS..Hα-helixtrans-68.4-41.6177.3-86.8131.1000110.8P27 T28 G34P27-H30 WeakPolarHBondContact CD-ND1 3.36Å; P27-H30 HydrophobicContact CG-CB 4.21Å; P27-H30 WeakPolarHBondContact CG-ND1 3.35Å; P27-H30 WeakPolarHBondContact O-CB 3.24Å; P27-H30 PolarHBondContact O-N 3.09Å; T28-H30 VanDerWaalsContact C-N 3.3Å; T28-H30 PolarHBondContact O-N 3.07Å; H30-G34 PolarHBondContact O-N 3.18Å
31I98Very high97.2Very high0 Ų062.4 Ų62.40%035%0.349CS..Hα-helixtrans-62.4-50.8177.3-65.5171.6000109.8N24 R26 P27 T28 G34 L35 Q99 L100 E103N24-I31 HydrophobicContact CB-CD1 4.46Å; N24-I31 WeakPolarHBondContact ND2-CD1 3.3Å; R26-I31 HydrophobicContact CB-CD1 4.21Å; R26-I31 HydrophobicContact CB-CG1 3.93Å; P27-I31 PolarHBondContact O-N 3.07Å; T28-I31 WeakPolarHBondContact O-CB 3.29Å; T28-I31 PolarHBondContact O-N 3.27Å; I31-G34 PolarHBondContact O-N 3.49Å; I31-L35 PolarHBondContact O-N 3.39Å; I31-Q99 HydrophobicContact CD1-CB 3.99Å; I31-L100 HydrophobicContact CG2-CB 3.9Å; I31-L100 HydrophobicContact CG2-CD1 3.5Å; I31-L100 VanDerWaalsContact CG2-CD1 3.5Å; I31-L100 HydrophobicContact CG2-CG 4.32Å; I31-E103 HydrophobicContact CD1-CB 4.39Å; I31-E103 HydrophobicContact CG2-CB 4.48Å
32L96.7Very high97.4Very high42 Ų4263.8 Ų63.822%0.2236%0.357CS..Hα-helixtrans-64.3-43.1179-64.6-177.6000111.8T28 G34 L35 F36T28-L32 HydrophobicContact CG2-CD1 3.77Å; T28-L32 HydrophobicContact CG2-CG 4.07Å; T28-L32 WeakPolarHBondContact O-CG 3.33Å; T28-L32 PolarHBondContact O-N 3.37Å; L32-G34 VanDerWaalsContact C-N 3.29Å; L32-G34 PolarHBondContact O-N 3.33Å; L32-L35 PolarHBondContact O-N 3.2Å; L32-F36 HydrophobicContact CB-CD2 4.18Å; L32-F36 HydrophobicContact CB-CE2 4.18Å; L32-F36 HydrophobicContact CD2-CE2 4.32Å; L32-F36 WeakPolarHBondContact O-CB 3.43Å; L32-F36 WeakPolarHBondContact O-CD2 3.32Å; L32-F36 PolarHBondContact O-N 3.32Å
33A97.9Very high97.5Very high45 Ų4563.3 Ų63.337%0.37235%0.354SS..Hα-helixtrans-59.6-41176.100000111.5W29 S37W29-A33 WeakPolarHBondContact O-CB 3.21Å; W29-A33 PolarHBondContact O-N 2.94Å; A33-S37 WeakPolarHBondContact O-CB 3.39Å; A33-S37 PolarHBondContact O-N 3.05Å; A33-S37 PolarHBondContact O-OG 3.22Å
34G97.4Very high97.6Very high22 Ų2263.5 Ų63.523%0.22735%0.354CS..Hα-helixtrans-61.7-51.7174.300000112.4H30 I31 L32 F36 S37 V38H30-G34 PolarHBondContact O-N 3.18Å; I31-G34 PolarHBondContact O-N 3.49Å; L32-G34 VanDerWaalsContact C-N 3.29Å; L32-G34 PolarHBondContact O-N 3.33Å; G34-F36 PolarHBondContact O-N 3.4Å; G34-S37 PolarHBondContact O-N 3Å; G34-V38 WeakPolarHBondContact O-CG2 3.42Å; G34-V38 PolarHBondContact O-N 3.09Å
35L97.2Very high97.7Very high31 Ų3164.7 Ų64.716%0.16236%0.362CS..Hα-helixtrans-56.5-51.6178.1172.562000112.1I31 L32 V38 T39 F74 I79 L100I31-L35 PolarHBondContact O-N 3.39Å; L32-L35 PolarHBondContact O-N 3.2Å; L35-V38 PolarHBondContact O-N 3.35Å; L35-T39 WeakPolarHBondContact O-CB 3.49Å; L35-T39 PolarHBondContact O-N 3.5Å; L35-T39 PolarHBondContact O-OG1 3.01Å; L35-F74 HydrophobicContact CD1-CE1 4.34Å; L35-I79 HydrophobicContact CD1-CD1 3.5Å; L35-I79 VanDerWaalsContact CD1-CD1 3.5Å; L35-L100 HydrophobicContact CB-CD1 4.39Å; L35-L100 HydrophobicContact CD1-CD2 4.22Å; L35-L100 HydrophobicContact CD2-CD1 3.95Å; L35-L100 HydrophobicContact CD2-CD2 4.41Å
36F96.4Very high97.7Very high105 Ų10560.3 Ų60.346%0.46134%0.339SS..Hα-helixtrans-72-29.4-176.6-71.2-60.8000112.6L32 G34 G40L32-F36 HydrophobicContact CB-CD2 4.18Å; L32-F36 HydrophobicContact CB-CE2 4.18Å; L32-F36 HydrophobicContact CD2-CE2 4.32Å; L32-F36 WeakPolarHBondContact O-CB 3.43Å; L32-F36 WeakPolarHBondContact O-CD2 3.32Å; L32-F36 PolarHBondContact O-N 3.32Å; G34-F36 PolarHBondContact O-N 3.4Å; F36-G40 WeakPolarHBondContact O-CA 3.24Å; F36-G40 PolarHBondContact O-N 3.08Å
37S98Very high97.8Very high76 Ų7659.7 Ų59.753%0.53134%0.337SS..Hα-helixtrans-67.8-47.6173.9-62.80000111.5A33 G34 G40 V41A33-S37 WeakPolarHBondContact O-CB 3.39Å; A33-S37 PolarHBondContact O-N 3.05Å; A33-S37 PolarHBondContact O-OG 3.22Å; G34-S37 PolarHBondContact O-N 3Å; S37-G40 PolarHBondContact O-N 3.03Å; S37-V41 WeakPolarHBondContact O-CG2 3.22Å; S37-V41 PolarHBondContact O-N 3.11Å
38V98.1Very high97.8Very high76 Ų7661.3 Ų61.346%0.46134%0.342SS..Hα-helixtrans-63-46.5177.9174.10000110.5G34 L35 G40 V41 L42 F74G34-V38 WeakPolarHBondContact O-CG2 3.42Å; G34-V38 PolarHBondContact O-N 3.09Å; L35-V38 PolarHBondContact O-N 3.35Å; V38-G40 VanDerWaalsContact C-N 3.33Å; V38-G40 PolarHBondContact O-N 3.44Å; V38-V41 PolarHBondContact O-N 2.72Å; V38-L42 WeakPolarHBondContact O-CB 3.39Å; V38-L42 PolarHBondContact O-N 2.9Å; V38-F74 HydrophobicContact CB-CZ 4.39Å; V38-F74 HydrophobicContact CG1-CE1 4.24Å; V38-F74 HydrophobicContact CG1-CE2 3.78Å; V38-F74 HydrophobicContact CG1-CZ 3.57Å
39T98.1Very high97.7Very high25 Ų2564 Ų6415%0.15335%0.354CS..Hα-helixtrans-60.8-41.9175.8-57.10000111.5L35 L42 V43 V71L35-T39 WeakPolarHBondContact O-CB 3.49Å; L35-T39 PolarHBondContact O-N 3.5Å; L35-T39 PolarHBondContact O-OG1 3.01Å; T39-L42 WeakPolarHBondContact O-CB 3.37Å; T39-L42 PolarHBondContact O-N 2.95Å; T39-V43 WeakPolarHBondContact O-CG2 3.26Å; T39-V43 PolarHBondContact O-N 2.78Å; T39-V71 HydrophobicContact CG2-CG1 4.13Å; T39-V71 HydrophobicContact CG2-CG2 3.95Å
40G98.2Very high97.7Very high33 Ų3356.4 Ų56.434%0.3433%0.326SS..Hα-helixtrans-62.4-46.1177.100000112.8F36 S37 V38 L42 V43 V44F36-G40 WeakPolarHBondContact O-CA 3.24Å; F36-G40 PolarHBondContact O-N 3.08Å; S37-G40 PolarHBondContact O-N 3.03Å; V38-G40 VanDerWaalsContact C-N 3.33Å; V38-G40 PolarHBondContact O-N 3.44Å; G40-L42 VanDerWaalsContact C-N 3.31Å; G40-L42 PolarHBondContact O-N 3.27Å; G40-V43 PolarHBondContact O-N 3.12Å; G40-V44 WeakPolarHBondContact O-CG2 3.41Å; G40-V44 PolarHBondContact O-N 3.29Å
41V98.5Very high97.5Very high96 Ų9654.7 Ų54.758%0.58233%0.332SS*.Hα-helixtrans-60.6-42174.6170.70000110.9S37 V38 V44 T45S37-V41 WeakPolarHBondContact O-CG2 3.22Å; S37-V41 PolarHBondContact O-N 3.11Å; V38-V41 PolarHBondContact O-N 2.72Å; V41-V44 PolarHBondContact O-N 3.1Å; V41-T45 WeakPolarHBondContact O-CB 3.27Å; V41-T45 PolarHBondContact O-N 2.92Å; V41-T45 PolarHBondContact O-OG1 2.99Å
42L98.3Very high97.2Very high46 Ų4665 Ų6524%0.24137%0.371CS..Hα-helixtrans-62.2-45.2176.8177.865.5000112.1V38 T39 G40 T45 T46 A70 V71 F74V38-L42 WeakPolarHBondContact O-CB 3.39Å; V38-L42 PolarHBondContact O-N 2.9Å; T39-L42 WeakPolarHBondContact O-CB 3.37Å; T39-L42 PolarHBondContact O-N 2.95Å; G40-L42 VanDerWaalsContact C-N 3.31Å; G40-L42 PolarHBondContact O-N 3.27Å; L42-T45 PolarHBondContact O-N 2.76Å; L42-T46 VanDerWaalsContact O-CB 3.28Å; L42-T46 WeakPolarHBondContact O-CB 3.3Å; L42-T46 PolarHBondContact O-N 3.18Å; L42-T46 PolarHBondContact O-OG1 2.83Å; L42-A70 HydrophobicContact CD1-CB 4.47Å; L42-A70 HydrophobicContact CG-CB 4.5Å; L42-V71 HydrophobicContact CD2-CG2 4.27Å; L42-F74 HydrophobicContact CD2-CB 3.36Å; L42-F74 HydrophobicContact CD2-CD1 4.24Å; L42-F74 HydrophobicContact CD2-CG 3.87Å
43V98.5Very high97.1Very high54 Ų5465.3 Ų65.333%0.32738%0.38SS..Hα-helixtrans-63-48.5177.3168.50000110.7T39 G40 T45 T46 W47 C67 V71T39-V43 WeakPolarHBondContact O-CG2 3.26Å; T39-V43 PolarHBondContact O-N 2.78Å; G40-V43 PolarHBondContact O-N 3.12Å; V43-T45 VanDerWaalsContact C-N 3.34Å; V43-T45 PolarHBondContact O-N 3.48Å; V43-T46 PolarHBondContact O-N 3.33Å; V43-W47 VanDerWaalsContact O-CB 3.24Å; V43-W47 WeakPolarHBondContact O-CB 3.21Å; V43-W47 PolarHBondContact O-N 2.87Å; V43-C67 HydrophobicContact CG1-CB 4.26Å; V43-V71 HydrophobicContact CG2-CG2 3.53Å
44V98.4Very high97.1Very high84 Ų8464.1 Ų64.151%0.50937%0.37SS..Hα-helixtrans-61.5-44.3178.5171.80000110.8G40 V41 W47 L48G40-V44 WeakPolarHBondContact O-CG2 3.41Å; G40-V44 PolarHBondContact O-N 3.29Å; V41-V44 PolarHBondContact O-N 3.1Å; V44-W47 WeakPolarHBondContact O-CB 3.47Å; V44-W47 PolarHBondContact O-N 2.91Å; V44-L48 HydrophobicContact CG1-CD1 3.98Å; V44-L48 HydrophobicContact CG1-CG 4.41Å; V44-L48 VanDerWaalsContact O-CG 3.3Å; V44-L48 WeakPolarHBondContact O-CG 3.5Å; V44-L48 PolarHBondContact O-N 3Å
45T98Very high97Very high63 Ų6367 Ų6739%0.38738%0.383SS..Hα-helixtrans-62.7-48.8178.5-60.30000110.8V41 L42 V43 W47 L48 L49V41-T45 WeakPolarHBondContact O-CB 3.27Å; V41-T45 PolarHBondContact O-N 2.92Å; V41-T45 PolarHBondContact O-OG1 2.99Å; L42-T45 PolarHBondContact O-N 2.76Å; V43-T45 VanDerWaalsContact C-N 3.34Å; V43-T45 PolarHBondContact O-N 3.48Å; T45-W47 VanDerWaalsContact C-N 3.31Å; T45-W47 PolarHBondContact O-N 3.26Å; T45-L48 PolarHBondContact O-N 3.23Å; T45-L49 HydrophobicContact CG2-CD1 3.73Å; T45-L49 HydrophobicContact CG2-CG 4.21Å; T45-L49 WeakPolarHBondContact O-CB 3.33Å; T45-L49 VanDerWaalsContact O-CG 3.27Å; T45-L49 WeakPolarHBondContact O-CG 3.31Å; T45-L49 PolarHBondContact O-N 3.19Å
46T98.1Very high96.9Very high18 Ų1868.1 Ų68.111%0.1139%0.392CS..Hα-helixtrans-60.9-41.8177.2-580000111.5L42 V43 S50 L66 A70L42-T46 VanDerWaalsContact O-CB 3.28Å; L42-T46 WeakPolarHBondContact O-CB 3.3Å; L42-T46 PolarHBondContact O-N 3.18Å; L42-T46 PolarHBondContact O-OG1 2.83Å; V43-T46 PolarHBondContact O-N 3.33Å; T46-S50 WeakPolarHBondContact O-CB 3.35Å; T46-S50 PolarHBondContact O-N 3.28Å; T46-S50 PolarHBondContact O-OG 2.84Å; T46-S50 VanDerWaalsContact O-OG 3.13Å; T46-L66 HydrophobicContact CG2-CB 4.28Å; T46-A70 HydrophobicContact CG2-CB 3.81Å; T46-A70 WeakPolarHBondContact OG1-CB 3.32Å
47W98.2Very high96.9Very high82 Ų8269.6 Ų69.631%0.31141%0.412SS..Hα-helixtrans-59.8-51.2175.9178-100.2000111.4V43 V44 T45 S50 T60 R63 L64V43-W47 VanDerWaalsContact O-CB 3.24Å; V43-W47 WeakPolarHBondContact O-CB 3.21Å; V43-W47 PolarHBondContact O-N 2.87Å; V44-W47 WeakPolarHBondContact O-CB 3.47Å; V44-W47 PolarHBondContact O-N 2.91Å; T45-W47 VanDerWaalsContact C-N 3.31Å; T45-W47 PolarHBondContact O-N 3.26Å; W47-S50 PolarHBondContact O-N 2.9Å; W47-S50 PolarHBondContact O-OG 3.16Å; W47-T60 HydrophobicContact CH2-CG2 4.15Å; W47-R63 HydrophobicContact CE3-CB 3.78Å; W47-R63 HydrophobicContact CH2-CB 4.34Å; W47-R63 HydrophobicContact CZ3-CB 3.53Å; W47-R63 PolarHBondContact O-NH2 3.34Å; W47-L64 HydrophobicContact CZ3-CD2 4.15Å; W47-L64 HydrophobicContact CZ3-CG 4.17Å
48L97.6Very high96.9Very high95 Ų9567.3 Ų67.350%0.49739%0.393SS..Hα-helixtrans-65.2-44-179.7-67.3174.9000112.1V44 T45 G51V44-L48 HydrophobicContact CG1-CD1 3.98Å; V44-L48 HydrophobicContact CG1-CG 4.41Å; V44-L48 VanDerWaalsContact O-CG 3.3Å; V44-L48 WeakPolarHBondContact O-CG 3.5Å; V44-L48 PolarHBondContact O-N 3Å; T45-L48 PolarHBondContact O-N 3.23Å; L48-G51 PolarHBondContact O-N 3.12Å
49L95.9Very high96.8Very high98 Ų9866.1 Ų66.151%0.51340%0.396SS..Hα-helixtrans-66.2-38.8179.1-70.6-179.8000111.9T45 G51 R52 A53T45-L49 HydrophobicContact CG2-CD1 3.73Å; T45-L49 HydrophobicContact CG2-CG 4.21Å; T45-L49 WeakPolarHBondContact O-CB 3.33Å; T45-L49 VanDerWaalsContact O-CG 3.27Å; T45-L49 WeakPolarHBondContact O-CG 3.31Å; T45-L49 PolarHBondContact O-N 3.19Å; L49-G51 PolarHBondContact O-N 2.81Å; L49-R52 PolarHBondContact O-N 2.93Å; L49-A53 VanDerWaalsContact O-CB 3.29Å; L49-A53 WeakPolarHBondContact O-CB 3.43Å; L49-A53 PolarHBondContact O-N 3Å
50S96.7Very high96.7Very high3 Ų369.1 Ų69.12%0.02142%0.415CS..Hα-helixtrans-61.7-26.3178.466.30000113.6T46 W47 A54 R63T46-S50 WeakPolarHBondContact O-CB 3.35Å; T46-S50 PolarHBondContact O-N 3.28Å; T46-S50 PolarHBondContact O-OG 2.84Å; T46-S50 VanDerWaalsContact O-OG 3.13Å; W47-S50 PolarHBondContact O-N 2.9Å; W47-S50 PolarHBondContact O-OG 3.16Å; S50-A54 WeakPolarHBondContact O-CB 3.37Å; S50-R63 PolarHBondContact OG-NE 3.41Å; S50-R63 VanDerWaalsContact OG-NE 3.09Å
51G92.9Very high96.7Very high54 Ų5477.6 Ų77.656%0.55744%0.436SS*.Hα-helixtrans-78.1-21.5174.600000114.1L48 L49L48-G51 PolarHBondContact O-N 3.12Å; L49-G51 PolarHBondContact O-N 2.81Å
52R93.4Very high96.7Very high216 Ų21674.7 Ų74.782%0.81542%0.415SS*.Hα-helixtrans-108-38.6-174.3-63.8-178.1179.5-179.70.4113.5L49L49-R52 PolarHBondContact O-N 2.93Å
53A94Very high96.7Very high49 Ų4974.7 Ų74.741%0.40541%0.412SS..Hα-helixtrans-89-16.2-171.900000113.4L49L49-A53 VanDerWaalsContact O-CB 3.29Å; L49-A53 WeakPolarHBondContact O-CB 3.43Å; L49-A53 PolarHBondContact O-N 3Å
54A96.5Very high96.6Very high20 Ų2075.9 Ų75.917%0.16542%0.416CS..  trans-70.7132-179.800000111S50 V56 L58 L141S50-A54 WeakPolarHBondContact O-CB 3.37Å; A54-V56 VanDerWaalsContact CB-O 3.25Å; A54-V56 WeakPolarHBondContact CB-O 3.28Å; A54-V56 PolarHBondContact O-N 3.24Å; A54-L58 HydrophobicContact CB-CD1 3.75Å; A54-L58 HydrophobicContact CB-CD2 4.45Å; A54-L58 HydrophobicContact CB-CG 3.7Å; A54-L141 WeakPolarHBondContact CA-O 3.35Å; A54-L141 HydrophobicContact CB-CD2 3.87Å
55V96.5Very high96.6Very high82 Ų8272.7 Ų72.750%0.49740%0.398SS..SBendtrans-68.4-19.4179-59.30000112.9L141 Q143V55-L141 WeakPolarHBondContact CG2-O 3.4Å; V55-L141 PolarHBondContact N-O 2.96Å; V55-Q143 HydrophobicContact CG2-CB 3.96Å; V55-Q143 HydrophobicContact CG2-CG 3.67Å
56V95.3Very high96.7Very high56 Ų5669.7 Ų69.734%0.33938%0.379SS..SBendtrans-131.8147.9170.4-61.70000109.1A54 L58 Q143A54-V56 VanDerWaalsContact CB-O 3.25Å; A54-V56 WeakPolarHBondContact CB-O 3.28Å; A54-V56 PolarHBondContact O-N 3.24Å; V56-L58 HydrophobicContact CG2-CD2 4.32Å; V56-L58 PolarHBondContact O-N 2.95Å; V56-Q143 HydrophobicContact CB-CG 4.43Å; V56-Q143 HydrophobicContact CG1-CG 4.05Å; V56-Q143 HydrophobicContact CG2-CG 3.52Å
57P96.1Very high96.7Very high136 Ų13669.2 Ų69.288%0.88338%0.377SS*.PPolyproline II helixtrans-55.3129.8175.9-25.734.7000111.9
58L96.8Very high96.7Very high27 Ų2766.9 Ų66.914%0.14137%0.368CS..PPolyproline II helixtrans-101.6128.9177.7-58.6-177.3000110.2A54 V56 R62 R63 L66 L141A54-L58 HydrophobicContact CB-CD1 3.75Å; A54-L58 HydrophobicContact CB-CD2 4.45Å; A54-L58 HydrophobicContact CB-CG 3.7Å; V56-L58 HydrophobicContact CG2-CD2 4.32Å; V56-L58 PolarHBondContact O-N 2.95Å; L58-R62 HydrophobicContact CB-CB 4.34Å; L58-R62 HydrophobicContact CB-CG 4.39Å; L58-R62 HydrophobicContact CD1-CG 4.3Å; L58-R62 HydrophobicContact CD2-CG 4.08Å; L58-R62 HydrophobicContact CG-CG 4.49Å; L58-R63 HydrophobicContact CB-CG 3.71Å; L58-R63 VanDerWaalsContact O-CD 3.32Å; L58-R63 WeakPolarHBondContact O-CD 3.47Å; L58-L66 HydrophobicContact CD1-CD1 3.61Å; L58-L141 HydrophobicContact CD1-CD2 4.13Å
59G96.6Very high96.8Very high51 Ų5162.4 Ų62.453%0.52634%0.344SS..PPolyproline II helixtrans-66.7163172.400000112.6W61 R62 R63G59-W61 VanDerWaalsContact C-N 3.34Å; G59-W61 PolarHBondContact O-N 3.3Å; G59-R62 PolarHBondContact O-N 3.43Å; G59-R63 WeakPolarHBondContact O-CG 3.36Å; G59-R63 PolarHBondContact O-N 2.97Å
60T97.2Very high96.9Very high88 Ų8858 Ų5854%0.5432%0.322SS..Hα-helixtrans-48.9-50.5-177.6-59.80000113.1W47 R62 R63 L64W47-T60 HydrophobicContact CH2-CG2 4.15Å; T60-R62 VanDerWaalsContact C-N 3.33Å; T60-R62 PolarHBondContact O-N 2.89Å; T60-R63 PolarHBondContact O-N 2.79Å; T60-L64 HydrophobicContact CG2-CD1 4.1Å; T60-L64 WeakPolarHBondContact O-CG 3.33Å; T60-L64 PolarHBondContact O-N 3.25Å
61W97.3Very high97Very high211 Ų21158.7 Ų58.780%0.79933%0.326SS*.Hα-helixtrans-59.4-43.1-179.8-68.6126.4000112.9G59 R63 L64 S65G59-W61 VanDerWaalsContact C-N 3.34Å; G59-W61 PolarHBondContact O-N 3.3Å; W61-R63 VanDerWaalsContact C-N 3.32Å; W61-R63 PolarHBondContact O-N 3.4Å; W61-L64 HydrophobicContact CE3-CD1 3.73Å; W61-L64 HydrophobicContact CZ3-CD1 3.77Å; W61-L64 PolarHBondContact O-N 3.21Å; W61-S65 PolarHBondContact O-N 3.43Å; W61-S65 PolarHBondContact O-OG 2.91Å
62R97.7Very high97.3Very high35 Ų3556.1 Ų56.113%0.13230%0.3CS..Hα-helixtrans-64.6-40.9178.8-171.658.662.3-162.1-12.9111.3L58 G59 T60 S65 L66 F140 D206L58-R62 HydrophobicContact CB-CB 4.34Å; L58-R62 HydrophobicContact CB-CG 4.39Å; L58-R62 HydrophobicContact CD1-CG 4.3Å; L58-R62 HydrophobicContact CD2-CG 4.08Å; L58-R62 HydrophobicContact CG-CG 4.49Å; G59-R62 PolarHBondContact O-N 3.43Å; T60-R62 VanDerWaalsContact C-N 3.33Å; T60-R62 PolarHBondContact O-N 2.89Å; R62-S65 WeakPolarHBondContact O-CB 3.32Å; R62-S65 PolarHBondContact O-N 2.99Å; R62-L66 VanDerWaalsContact O-CG 3.32Å; R62-L66 WeakPolarHBondContact O-CG 3.41Å; R62-L66 PolarHBondContact O-N 2.81Å; R62-F140 VanDerWaalsContact CD-CD1 3.43Å; R62-F140 HydrophobicContact CG-CD1 4.19Å; R62-F140 VanDerWaalsContact CZ-CE1 3.46Å; R62-F140 VanDerWaalsContact NH1-CE1 3.35Å; R62-D206 IonicContact CZ-OD2 3.71Å; R62-D206 VanDerWaalsContact CZ-OD2 3.3Å; R62-D206 IonicContact NH1-OD2 2.79Å; R62-D206 PolarHBondContact NH1-OD2 2.82Å; R62-D206 IonicContact NH2-OD1 3.3Å; R62-D206 PolarHBondContact NH2-OD1 3.22Å; R62-D206 IonicContact NH2-OD2 3.49Å; R62-D206 PolarHBondContact NH2-OD2 2.95Å
63R98.2Very high97.6Very high46 Ų4645.9 Ų45.917%0.17426%0.261CS..Hα-helixtrans-65.2-38.8178-65.7175.466.4-160.2-0.3111.8W47 S50 L58 G59 T60 W61 L66 C67W47-R63 HydrophobicContact CE3-CB 3.78Å; W47-R63 HydrophobicContact CH2-CB 4.34Å; W47-R63 HydrophobicContact CZ3-CB 3.53Å; W47-R63 PolarHBondContact O-NH2 3.34Å; S50-R63 PolarHBondContact OG-NE 3.41Å; S50-R63 VanDerWaalsContact OG-NE 3.09Å; L58-R63 HydrophobicContact CB-CG 3.71Å; L58-R63 VanDerWaalsContact O-CD 3.32Å; L58-R63 WeakPolarHBondContact O-CD 3.47Å; G59-R63 WeakPolarHBondContact O-CG 3.36Å; G59-R63 PolarHBondContact O-N 2.97Å; T60-R63 PolarHBondContact O-N 2.79Å; W61-R63 VanDerWaalsContact C-N 3.32Å; W61-R63 PolarHBondContact O-N 3.4Å; R63-L66 PolarHBondContact O-N 3.38Å; R63-C67 PolarHBondContact O-N 2.89Å; R63-C67 PolarHBondContact O-SG 3Å
64L98.3Very high97.8Very high80 Ų8045.3 Ų45.342%0.41925%0.25SC..Hα-helixtrans-62.6-42.8171.6-70.5171.7000111.6W47 T60 W61 L66 C67 W68W47-L64 HydrophobicContact CZ3-CD2 4.15Å; W47-L64 HydrophobicContact CZ3-CG 4.17Å; T60-L64 HydrophobicContact CG2-CD1 4.1Å; T60-L64 WeakPolarHBondContact O-CG 3.33Å; T60-L64 PolarHBondContact O-N 3.25Å; W61-L64 HydrophobicContact CE3-CD1 3.73Å; W61-L64 HydrophobicContact CZ3-CD1 3.77Å; W61-L64 PolarHBondContact O-N 3.21Å; L64-L66 VanDerWaalsContact C-N 3.29Å; L64-L66 PolarHBondContact O-N 2.88Å; L64-C67 WeakPolarHBondContact O-CB 3.25Å; L64-C67 PolarHBondContact O-N 2.82Å; L64-C67 VanDerWaalsContact O-N 3.14Å; L64-W68 PolarHBondContact O-N 2.73Å
65S98.5Very high97.9Very high17 Ų1745.6 Ų45.612%0.11925%0.248CC..Hα-helixtrans-59.3-39.1173-49.80000112.1W61 R62 C67 W68 F69 L203W61-S65 PolarHBondContact O-N 3.43Å; W61-S65 PolarHBondContact O-OG 2.91Å; R62-S65 WeakPolarHBondContact O-CB 3.32Å; R62-S65 PolarHBondContact O-N 2.99Å; S65-C67 VanDerWaalsContact C-N 3.35Å; S65-W68 WeakPolarHBondContact O-CB 3.43Å; S65-W68 PolarHBondContact O-N 3.45Å; S65-F69 WeakPolarHBondContact O-CD2 3.14Å; S65-F69 PolarHBondContact O-N 2.85Å; S65-L203 WeakPolarHBondContact OG-CD2 3.47Å
66L98.6Very high98Very high0 Ų041.8 Ų41.80%023%0.225CC..Hα-helixtrans-66.8-37.7176.2-56.9-161.4000111.9T46 L58 R62 R63 L64 W68 F69 A70 F140 L141T46-L66 HydrophobicContact CG2-CB 4.28Å; L58-L66 HydrophobicContact CD1-CD1 3.61Å; R62-L66 VanDerWaalsContact O-CG 3.32Å; R62-L66 WeakPolarHBondContact O-CG 3.41Å; R62-L66 PolarHBondContact O-N 2.81Å; R63-L66 PolarHBondContact O-N 3.38Å; L64-L66 VanDerWaalsContact C-N 3.29Å; L64-L66 PolarHBondContact O-N 2.88Å; L66-W68 VanDerWaalsContact C-N 3.34Å; L66-F69 PolarHBondContact O-N 3.41Å; L66-A70 WeakPolarHBondContact O-CB 3.35Å; L66-A70 PolarHBondContact O-N 3.34Å; L66-F140 HydrophobicContact CD1-CB 4.26Å; L66-F140 HydrophobicContact CD2-CB 3.51Å; L66-F140 HydrophobicContact CD2-CD2 3.78Å; L66-F140 HydrophobicContact CD2-CG 3.82Å; L66-F140 HydrophobicContact CG-CB 4.49Å; L66-L141 HydrophobicContact CD1-CD2 3.7Å; L66-L141 HydrophobicContact CD1-CG 4.05Å
67C98.6Very high98.1Very high8 Ų842.6 Ų42.65%0.05423%0.227CC..Hα-helixtrans-62.3-43.8173.8-62.20000110.9V43 R63 L64 S65 A70 V71V43-C67 HydrophobicContact CG1-CB 4.26Å; R63-C67 PolarHBondContact O-N 2.89Å; R63-C67 PolarHBondContact O-SG 3Å; L64-C67 WeakPolarHBondContact O-CB 3.25Å; L64-C67 PolarHBondContact O-N 2.82Å; L64-C67 VanDerWaalsContact O-N 3.14Å; S65-C67 VanDerWaalsContact C-N 3.35Å; C67-A70 PolarHBondContact O-N 3.38Å; C67-V71 WeakPolarHBondContact O-CG2 3.34Å; C67-V71 PolarHBondContact O-N 2.85Å
68W98.7Very high98.2Very high33 Ų3339.1 Ų39.113%0.12520%0.203CC..Hα-helixtrans-56-54.7173.6171.5-103.5000111.8L64 S65 L66 A70 V71 C72 L195 W196 L199 P200 L203L64-W68 PolarHBondContact O-N 2.73Å; S65-W68 WeakPolarHBondContact O-CB 3.43Å; S65-W68 PolarHBondContact O-N 3.45Å; L66-W68 VanDerWaalsContact C-N 3.34Å; W68-A70 VanDerWaalsContact C-N 3.28Å; W68-A70 PolarHBondContact O-N 2.92Å; W68-V71 CarbonylContact O-C 3.56Å; W68-V71 WeakPolarHBondContact O-CA 3.39Å; W68-V71 WeakPolarHBondContact O-CB 3.49Å; W68-V71 PolarHBondContact O-N 2.78Å; W68-C72 PolarHBondContact NE1-SG 3.44Å; W68-C72 VanDerWaalsContact NE1-SG 3.44Å; W68-C72 PolarHBondContact O-N 2.9Å; W68-C72 PolarHBondContact O-SG 3.45Å; W68-L195 HydrophobicContact CH2-CB 4.37Å; W68-W196 HydrophobicContact CH2-CD2 4.17Å; W68-W196 HydrophobicContact CH2-CE3 4.43Å; W68-W196 HydrophobicContact CH2-CG 4.47Å; W68-L199 HydrophobicContact CD2-CB 4.25Å; W68-L199 HydrophobicContact CD2-CD1 4.04Å; W68-L199 HydrophobicContact CE3-CB 4.44Å; W68-L199 HydrophobicContact CE3-CD1 3.44Å; W68-L199 VanDerWaalsContact CE3-CD1 3.44Å; W68-L199 HydrophobicContact CH2-CB 4.32Å; W68-L199 HydrophobicContact CH2-CD1 3.89Å; W68-L199 HydrophobicContact CZ2-CB 4.12Å; W68-L199 HydrophobicContact CZ2-CD1 4.44Å; W68-L199 HydrophobicContact CZ3-CB 4.48Å; W68-L199 HydrophobicContact CZ3-CD1 3.36Å; W68-P200 HydrophobicContact CZ2-CG 3.92Å; W68-L203 HydrophobicContact CG-CD1 4.28Å
69F98.8Very high98.3Very high0 Ų038.4 Ų38.40%020%0.199CC..Hα-helixtrans-64.8-30.1179.9-76.4-66000113.6S65 L66 G73 S133 V136 V137 Q151 V154 L203S65-F69 WeakPolarHBondContact O-CD2 3.14Å; S65-F69 PolarHBondContact O-N 2.85Å; L66-F69 PolarHBondContact O-N 3.41Å; F69-G73 PolarHBondContact O-N 3.13Å; F69-S133 WeakPolarHBondContact O-CB 3.18Å; F69-V136 HydrophobicContact CB-CB 4.45Å; F69-V136 HydrophobicContact CB-CG1 4.43Å; F69-V136 HydrophobicContact CD1-CB 4.18Å; F69-V136 HydrophobicContact CD1-CG1 4.2Å; F69-V136 HydrophobicContact CD1-CG2 4.29Å; F69-V136 HydrophobicContact CD2-CB 4.2Å; F69-V136 HydrophobicContact CD2-CG1 3.4Å; F69-V136 VanDerWaalsContact CD2-CG1 3.4Å; F69-V136 HydrophobicContact CE1-CG1 4.34Å; F69-V136 HydrophobicContact CE1-CG2 4.26Å; F69-V136 HydrophobicContact CE2-CG1 3.59Å; F69-V136 HydrophobicContact CG-CB 4.02Å; F69-V136 HydrophobicContact CG-CG1 3.75Å; F69-V136 HydrophobicContact CZ-CG1 4.06Å; F69-V137 HydrophobicContact CB-CG2 3.74Å; F69-Q151 HydrophobicContact CE2-CB 4.43Å; F69-Q151 HydrophobicContact CE2-CG 3.92Å; F69-Q151 HydrophobicContact CZ-CB 4.3Å; F69-Q151 HydrophobicContact CZ-CG 3.84Å; F69-V154 HydrophobicContact CD1-CG1 4.27Å; F69-V154 HydrophobicContact CE1-CB 4.12Å; F69-V154 HydrophobicContact CE1-CG1 3.75Å; F69-L203 HydrophobicContact CE2-CD1 3.82Å; F69-L203 HydrophobicContact CE2-CD2 4.38Å; F69-L203 HydrophobicContact CZ-CD1 3.8Å
70A98.7Very high98.4Very high7 Ų736.6 Ų36.66%0.05818%0.177CC..Hα-helixtrans-66.1-43.4171.400000111.5L42 T46 L66 C67 W68 G73 F74 V137L42-A70 HydrophobicContact CD1-CB 4.47Å; L42-A70 HydrophobicContact CG-CB 4.5Å; T46-A70 HydrophobicContact CG2-CB 3.81Å; T46-A70 WeakPolarHBondContact OG1-CB 3.32Å; L66-A70 WeakPolarHBondContact O-CB 3.35Å; L66-A70 PolarHBondContact O-N 3.34Å; C67-A70 PolarHBondContact O-N 3.38Å; W68-A70 VanDerWaalsContact C-N 3.28Å; W68-A70 PolarHBondContact O-N 2.92Å; A70-G73 PolarHBondContact O-N 3.3Å; A70-F74 PolarHBondContact O-N 2.9Å; A70-V137 HydrophobicContact CB-CG2 4.41Å
71V98.6Very high98.5Very high17 Ų1733 Ų3310%0.10316%0.157CC..Hα-helixtrans-62.5-45.6174.11720000110.9T39 L42 V43 C67 W68 G73 F74 I75T39-V71 HydrophobicContact CG2-CG1 4.13Å; T39-V71 HydrophobicContact CG2-CG2 3.95Å; L42-V71 HydrophobicContact CD2-CG2 4.27Å; V43-V71 HydrophobicContact CG2-CG2 3.53Å; C67-V71 WeakPolarHBondContact O-CG2 3.34Å; C67-V71 PolarHBondContact O-N 2.85Å; W68-V71 CarbonylContact O-C 3.56Å; W68-V71 WeakPolarHBondContact O-CA 3.39Å; W68-V71 WeakPolarHBondContact O-CB 3.49Å; W68-V71 PolarHBondContact O-N 2.78Å; V71-G73 VanDerWaalsContact C-N 3.31Å; V71-G73 PolarHBondContact O-N 3.14Å; V71-F74 WeakPolarHBondContact O-CB 3.43Å; V71-F74 PolarHBondContact O-N 3.09Å; V71-F74 VanDerWaalsContact O-N 3.12Å; V71-I75 HydrophobicContact CG1-CD1 3.62Å; V71-I75 HydrophobicContact CG1-CG1 4.14Å; V71-I75 WeakPolarHBondContact O-CG1 3.18Å; V71-I75 PolarHBondContact O-N 3.3Å
72C98.8Very high98.6Very high0 Ų026 Ų260%013%0.131CC..Hα-helixtrans-55.8-47.2172.8-62.20000111.2W68 F74 I75 H76 Q158W68-C72 PolarHBondContact NE1-SG 3.44Å; W68-C72 VanDerWaalsContact NE1-SG 3.44Å; W68-C72 PolarHBondContact O-N 2.9Å; W68-C72 PolarHBondContact O-SG 3.45Å; C72-F74 VanDerWaalsContact C-N 3.29Å; C72-F74 PolarHBondContact O-N 3.29Å; C72-I75 PolarHBondContact O-N 3.38Å; C72-H76 VanDerWaalsContact O-CB 3.26Å; C72-H76 WeakPolarHBondContact O-CB 3.48Å; C72-H76 PolarHBondContact O-CD2 3.39Å; C72-H76 PolarHBondContact O-N 3.19Å; C72-Q158 PolarHBondContact SG-NE2 3.39Å
73G98.7Very high98.6Very high1 Ų124.3 Ų24.31%0.0113%0.125CC..Hα-helixtrans-56.3-42.4176.500000112.6F69 A70 V71 L77F69-G73 PolarHBondContact O-N 3.13Å; A70-G73 PolarHBondContact O-N 3.3Å; V71-G73 VanDerWaalsContact C-N 3.31Å; V71-G73 PolarHBondContact O-N 3.14Å; G73-L77 WeakPolarHBondContact O-CB 3.49Å; G73-L77 WeakPolarHBondContact O-CD1 3.36Å; G73-L77 VanDerWaalsContact O-CG 3.22Å; G73-L77 WeakPolarHBondContact O-CG 3.43Å; G73-L77 PolarHBondContact O-N 3.48Å
74F98.5Very high98.6Very high37 Ų3723.6 Ų23.616%0.16213%0.125CC..Hα-helixtrans-67-50.1175.9166.8-108.6000112.8L35 V38 L42 A70 V71 C72 V78 I79L35-F74 HydrophobicContact CD1-CE1 4.34Å; V38-F74 HydrophobicContact CB-CZ 4.39Å; V38-F74 HydrophobicContact CG1-CE1 4.24Å; V38-F74 HydrophobicContact CG1-CE2 3.78Å; V38-F74 HydrophobicContact CG1-CZ 3.57Å; L42-F74 HydrophobicContact CD2-CB 3.36Å; L42-F74 HydrophobicContact CD2-CD1 4.24Å; L42-F74 HydrophobicContact CD2-CG 3.87Å; A70-F74 PolarHBondContact O-N 2.9Å; V71-F74 WeakPolarHBondContact O-CB 3.43Å; V71-F74 PolarHBondContact O-N 3.09Å; V71-F74 VanDerWaalsContact O-N 3.12Å; C72-F74 VanDerWaalsContact C-N 3.29Å; C72-F74 PolarHBondContact O-N 3.29Å; F74-V78 HydrophobicContact CD2-CB 3.91Å; F74-V78 HydrophobicContact CD2-CG1 4.44Å; F74-V78 HydrophobicContact CD2-CG2 3.72Å; F74-V78 HydrophobicContact CE2-CB 3.86Å; F74-V78 HydrophobicContact CE2-CG1 3.91Å; F74-V78 HydrophobicContact CE2-CG2 4.02Å; F74-V78 WeakPolarHBondContact O-CA 3.34Å; F74-V78 WeakPolarHBondContact O-CB 3.44Å; F74-V78 PolarHBondContact O-N 3.05Å; F74-I79 HydrophobicContact CD1-CD1 4.47Å; F74-I79 HydrophobicContact CE1-CD1 3.8Å; F74-I79 HydrophobicContact CE1-CG1 4.26Å; F74-I79 HydrophobicContact CZ-CD1 4.22Å; F74-I79 HydrophobicContact CZ-CG1 4.29Å
75I98.6Very high98.6Very high26 Ų2626 Ų2613%0.13314%0.138CC..Iπ-helixtrans-61.4-50.5-178.2-64.1175.6000109.5V71 C72 L77 I79 E80 W196V71-I75 HydrophobicContact CG1-CD1 3.62Å; V71-I75 HydrophobicContact CG1-CG1 4.14Å; V71-I75 WeakPolarHBondContact O-CG1 3.18Å; V71-I75 PolarHBondContact O-N 3.3Å; C72-I75 PolarHBondContact O-N 3.38Å; I75-L77 PolarHBondContact O-N 3.24Å; I75-I79 HydrophobicContact CG1-CD1 4.2Å; I75-I79 HydrophobicContact CG2-CB 4.4Å; I75-I79 HydrophobicContact CG2-CD1 4.49Å; I75-I79 CarbonylContact O-C 3.14Å; I75-I79 WeakPolarHBondContact O-CA 3.47Å; I75-I79 WeakPolarHBondContact O-CB 3.44Å; I75-I79 PolarHBondContact O-N 3.38Å; I75-E80 HydrophobicContact CG2-CG 4.23Å; I75-E80 VanDerWaalsContact CG2-OE1 3.3Å; I75-E80 WeakPolarHBondContact CG2-OE1 3.31Å; I75-E80 PolarHBondContact O-N 3.2Å; I75-W196 HydrophobicContact CD1-CH2 3.62Å; I75-W196 HydrophobicContact CD1-CZ2 3.57Å; I75-W196 HydrophobicContact CG2-CZ2 4.18Å
76H98.7Very high98.6Very high2 Ų229.6 Ų29.61%0.00915%0.149CC..Iπ-helixtrans-64.6-44.6-177.6-60.5-35.4000113C72 E80 G81 A126 G130 W196C72-H76 VanDerWaalsContact O-CB 3.26Å; C72-H76 WeakPolarHBondContact O-CB 3.48Å; C72-H76 PolarHBondContact O-CD2 3.39Å; C72-H76 PolarHBondContact O-N 3.19Å; H76-E80 VanDerWaalsContact CA-OE2 3.25Å; H76-E80 WeakPolarHBondContact CA-OE2 3.36Å; H76-E80 IonicContact CE1-OE1 3.45Å; H76-E80 IonicContact CE1-OE2 2.89Å; H76-E80 IonicContact CG-OE2 3.25Å; H76-E80 IonicContact ND1-OE1 3.64Å; H76-E80 PolarHBondContact ND1-OE1 3.02Å; H76-E80 IonicContact ND1-OE2 3.68Å; H76-E80 PolarHBondContact ND1-OE2 3.27Å; H76-G81 PolarHBondContact O-N 2.85Å; H76-A126 WeakPolarHBondContact O-CA 3.35Å; H76-A126 WeakPolarHBondContact O-CB 3.36Å; H76-G130 VanDerWaalsContact CB-CA 3.5Å; H76-W196 AromaticContact CE1-NE1 3.68Å
77L98.7Very high98.5Very high73 Ų7332.9 Ų32.938%0.38216%0.162SC..Iπ-helixtrans-81.6-34.1-175.8-66.4173.8000113.7G73 I75 A126 P131 L134G73-L77 WeakPolarHBondContact O-CB 3.49Å; G73-L77 WeakPolarHBondContact O-CD1 3.36Å; G73-L77 VanDerWaalsContact O-CG 3.22Å; G73-L77 WeakPolarHBondContact O-CG 3.43Å; G73-L77 PolarHBondContact O-N 3.48Å; I75-L77 PolarHBondContact O-N 3.24Å; L77-A126 WeakPolarHBondContact CD2-O 3.47Å; L77-P131 HydrophobicContact CD2-CG 3.97Å; L77-L134 HydrophobicContact CD1-CD1 3.55Å; L77-L134 HydrophobicContact CD1-CG 4.28Å
78V98.5Very high98.5Very high62 Ų6239.5 Ų39.538%0.37619%0.192SC..Iπ-helixtrans-101.5-49.9-172.4-176.10000111.3F74 W82 L97F74-V78 HydrophobicContact CD2-CB 3.91Å; F74-V78 HydrophobicContact CD2-CG1 4.44Å; F74-V78 HydrophobicContact CD2-CG2 3.72Å; F74-V78 HydrophobicContact CE2-CB 3.86Å; F74-V78 HydrophobicContact CE2-CG1 3.91Å; F74-V78 HydrophobicContact CE2-CG2 4.02Å; F74-V78 WeakPolarHBondContact O-CA 3.34Å; F74-V78 WeakPolarHBondContact O-CB 3.44Å; F74-V78 PolarHBondContact O-N 3.05Å; V78-W82 WeakPolarHBondContact O-CB 3.14Å; V78-W82 PolarHBondContact O-N 3.25Å; V78-L97 HydrophobicContact CG1-CD1 4.04Å
79I98.5Very high98.4Very high13 Ų1342.8 Ų42.87%0.06721%0.213CC..Iπ-helixtrans-81.4-56.5-174.1-57.3-179.1000110L35 F74 I75 W82 F83 L97 L100 W101L35-I79 HydrophobicContact CD1-CD1 3.5Å; L35-I79 VanDerWaalsContact CD1-CD1 3.5Å; F74-I79 HydrophobicContact CD1-CD1 4.47Å; F74-I79 HydrophobicContact CE1-CD1 3.8Å; F74-I79 HydrophobicContact CE1-CG1 4.26Å; F74-I79 HydrophobicContact CZ-CD1 4.22Å; F74-I79 HydrophobicContact CZ-CG1 4.29Å; I75-I79 HydrophobicContact CG1-CD1 4.2Å; I75-I79 HydrophobicContact CG2-CB 4.4Å; I75-I79 HydrophobicContact CG2-CD1 4.49Å; I75-I79 CarbonylContact O-C 3.14Å; I75-I79 WeakPolarHBondContact O-CA 3.47Å; I75-I79 WeakPolarHBondContact O-CB 3.44Å; I75-I79 PolarHBondContact O-N 3.38Å; I79-W82 WeakPolarHBondContact O-CB 3.33Å; I79-W82 PolarHBondContact O-N 2.77Å; I79-F83 PolarHBondContact O-N 3.29Å; I79-F83 VanDerWaalsContact O-N 3.1Å; I79-L97 HydrophobicContact CG1-CD2 4.36Å; I79-L100 HydrophobicContact CD1-CD2 4.16Å; I79-L100 HydrophobicContact CG2-CD2 4.11Å; I79-W101 HydrophobicContact CG2-CZ2 3.69Å; I79-W101 PolarHBondContact O-NE1 3.1Å
80E98.7Very high98.3Very high13 Ų1342.8 Ų42.86%0.06121%0.213CC..Iπ-helixtrans-72.2-38.4179.3-61.2165.6-162.500111.2I75 H76 W82 F83 V84 W101 E122 T125I75-E80 HydrophobicContact CG2-CG 4.23Å; I75-E80 VanDerWaalsContact CG2-OE1 3.3Å; I75-E80 WeakPolarHBondContact CG2-OE1 3.31Å; I75-E80 PolarHBondContact O-N 3.2Å; H76-E80 VanDerWaalsContact CA-OE2 3.25Å; H76-E80 WeakPolarHBondContact CA-OE2 3.36Å; H76-E80 IonicContact CE1-OE1 3.45Å; H76-E80 IonicContact CE1-OE2 2.89Å; H76-E80 IonicContact CG-OE2 3.25Å; H76-E80 IonicContact ND1-OE1 3.64Å; H76-E80 PolarHBondContact ND1-OE1 3.02Å; H76-E80 IonicContact ND1-OE2 3.68Å; H76-E80 PolarHBondContact ND1-OE2 3.27Å; E80-W82 PolarHBondContact O-N 3.32Å; E80-F83 WeakPolarHBondContact O-CB 3.43Å; E80-F83 PolarHBondContact O-N 3.37Å; E80-V84 WeakPolarHBondContact O-CG2 3.47Å; E80-V84 PolarHBondContact O-N 3.11Å; E80-W101 HydrophobicContact CG-CH2 4.34Å; E80-W101 HydrophobicContact CG-CZ2 4.07Å; E80-E122 HydrophobicContact CB-CB 4.38Å; E80-E122 WeakPolarHBondContact CG-OE2 3.11Å; E80-E122 VanDerWaalsContact OE2-OE2 3.07Å; E80-T125 WeakPolarHBondContact OE2-CB 3.32Å; E80-T125 PolarHBondContact OE2-OG1 3.38Å
81G98.6Very high98.2Very high12 Ų1243.9 Ų43.912%0.12422%0.217CC..Hα-helixtrans-55.9-38.3169.900000112.9H76 L85H76-G81 PolarHBondContact O-N 2.85Å; G81-L85 VanDerWaalsContact O-CG 3.26Å; G81-L85 WeakPolarHBondContact O-CG 3.47Å; G81-L85 PolarHBondContact O-N 2.95Å
82W98.7Very high98Very high64 Ų6444.5 Ų44.524%0.24223%0.227CC..Hα-helixtrans-66.2-45.6172.2-179.2-82000112V78 I79 E80 V84 L85 Y86 A95 L97 S98V78-W82 WeakPolarHBondContact O-CB 3.14Å; V78-W82 PolarHBondContact O-N 3.25Å; I79-W82 WeakPolarHBondContact O-CB 3.33Å; I79-W82 PolarHBondContact O-N 2.77Å; E80-W82 PolarHBondContact O-N 3.32Å; W82-V84 PolarHBondContact O-N 3.06Å; W82-L85 PolarHBondContact O-N 2.99Å; W82-Y86 AromaticContact CD2-CD2 3.6Å; W82-Y86 HydrophobicContact CD2-CD2 3.6Å; W82-Y86 AromaticContact CD2-CE2 3.94Å; W82-Y86 HydrophobicContact CD2-CE2 3.94Å; W82-Y86 AromaticContact CE2-CD2 3.58Å; W82-Y86 AromaticContact CE3-CD2 3.9Å; W82-Y86 HydrophobicContact CE3-CD2 3.9Å; W82-Y86 AromaticContact CE3-CE2 3.73Å; W82-Y86 HydrophobicContact CE3-CE2 3.73Å; W82-Y86 HydrophobicContact CG-CD2 4.03Å; W82-Y86 HydrophobicContact CH2-CD2 4.16Å; W82-Y86 AromaticContact CH2-CE2 3.91Å; W82-Y86 HydrophobicContact CH2-CE2 3.91Å; W82-Y86 AromaticContact CZ2-CD2 3.87Å; W82-Y86 HydrophobicContact CZ2-CD2 3.87Å; W82-Y86 HydrophobicContact CZ2-CE2 4.11Å; W82-Y86 HydrophobicContact CZ2-CG 4.37Å; W82-Y86 HydrophobicContact CZ3-CD2 4.18Å; W82-Y86 AromaticContact CZ3-CE2 3.72Å; W82-Y86 HydrophobicContact CZ3-CE2 3.72Å; W82-Y86 AromaticContact NE1-CD2 3.97Å; W82-Y86 WeakPolarHBondContact O-CD2 3.49Å; W82-Y86 PolarHBondContact O-N 3.32Å; W82-A95 HydrophobicContact CH2-CB 3.95Å; W82-A95 HydrophobicContact CZ2-CB 3.45Å; W82-A95 VanDerWaalsContact CZ2-CB 3.45Å; W82-L97 HydrophobicContact CB-CB 4.2Å; W82-L97 HydrophobicContact CB-CD1 3.74Å; W82-L97 HydrophobicContact CD2-CB 3.78Å; W82-L97 HydrophobicContact CD2-CD1 3.77Å; W82-L97 HydrophobicContact CD2-CG 4.39Å; W82-L97 HydrophobicContact CE3-CD1 3.79Å; W82-L97 HydrophobicContact CG-CB 3.57Å; W82-L97 HydrophobicContact CG-CD1 3.75Å; W82-L97 HydrophobicContact CG-CG 4.32Å; W82-S98 PolarHBondContact NE1-OG 2.93Å
83F98.7Very high98Very high0 Ų046.9 Ų46.90%024%0.24CC..Hα-helixtrans-56.4-50.9177.2165.1-112.5000111.8I79 E80 L85 Y86 Y87 L90 W101 Y111 V119 E122I79-F83 PolarHBondContact O-N 3.29Å; I79-F83 VanDerWaalsContact O-N 3.1Å; E80-F83 WeakPolarHBondContact O-CB 3.43Å; E80-F83 PolarHBondContact O-N 3.37Å; F83-L85 PolarHBondContact O-N 3.32Å; F83-Y86 CarbonylContact O-C 3.57Å; F83-Y86 PolarHBondContact O-N 2.96Å; F83-Y86 VanDerWaalsContact O-N 3.12Å; F83-Y87 VanDerWaalsContact CE2-CB 3.48Å; F83-Y87 WeakPolarHBondContact O-CA 3.32Å; F83-Y87 VanDerWaalsContact O-CB 3.28Å; F83-Y87 WeakPolarHBondContact O-CB 3.36Å; F83-Y87 PolarHBondContact O-N 2.99Å; F83-L90 HydrophobicContact CD2-CD2 4.4Å; F83-W101 HydrophobicContact CB-CD2 4.09Å; F83-W101 VanDerWaalsContact CB-CE2 3.45Å; F83-W101 HydrophobicContact CB-CG 4.42Å; F83-W101 HydrophobicContact CB-CH2 4.47Å; F83-W101 HydrophobicContact CB-CZ2 3.67Å; F83-W101 HydrophobicContact CD2-CD2 4.49Å; F83-W101 HydrophobicContact CG-CD2 4.47Å; F83-W101 HydrophobicContact CG-CZ2 4.22Å; F83-Y111 HydrophobicContact CD1-CD1 4.13Å; F83-Y111 HydrophobicContact CD1-CE1 4.27Å; F83-Y111 HydrophobicContact CD2-CD1 4.1Å; F83-Y111 AromaticContact CE1-CD1 3.76Å; F83-Y111 HydrophobicContact CE1-CD1 3.76Å; F83-Y111 AromaticContact CE1-CE1 3.96Å; F83-Y111 HydrophobicContact CE1-CE1 3.96Å; F83-Y111 AromaticContact CE2-CD1 3.75Å; F83-Y111 HydrophobicContact CE2-CD1 3.75Å; F83-Y111 HydrophobicContact CE2-CG 4.47Å; F83-Y111 VanDerWaalsContact CE2-O 3.29Å; F83-Y111 WeakPolarHBondContact CE2-O 3.46Å; F83-Y111 HydrophobicContact CG-CD1 4.28Å; F83-Y111 AromaticContact CZ-CD1 3.56Å; F83-Y111 HydrophobicContact CZ-CD1 3.56Å; F83-Y111 HydrophobicContact CZ-CE1 4.21Å; F83-Y111 HydrophobicContact CZ-CG 4.45Å; F83-V119 HydrophobicContact CE1-CG2 4.17Å; F83-V119 HydrophobicContact CZ-CG2 3.74Å; F83-E122 HydrophobicContact CD1-CB 3.73Å; F83-E122 HydrophobicContact CD1-CG 3.73Å; F83-E122 HydrophobicContact CE1-CB 3.9Å; F83-E122 HydrophobicContact CE1-CG 3.7Å
84V98.3Very high97.9Very high31 Ų3149.3 Ų49.319%0.18825%0.251CS..Hα-helixtrans-62.2-31.4-177.8173.70000112.4E80 W82 E122 T123E80-V84 WeakPolarHBondContact O-CG2 3.47Å; E80-V84 PolarHBondContact O-N 3.11Å; W82-V84 PolarHBondContact O-N 3.06Å; V84-E122 VanDerWaalsContact CG2-C 3.46Å; V84-E122 HydrophobicContact CG2-CB 3.75Å; V84-T123 HydrophobicContact CG1-CG2 4.24Å; V84-T123 VanDerWaalsContact CG1-OG1 3.23Å; V84-T123 WeakPolarHBondContact CG1-OG1 3.23Å
85L98.3Very high97.9Very high130 Ų13048.9 Ų48.968%0.68125%0.254SS*.Hα-helixtrans-79.9-26.8177.9-69.5173.6000113.8G81 W82 F83G81-L85 VanDerWaalsContact O-CG 3.26Å; G81-L85 WeakPolarHBondContact O-CG 3.47Å; G81-L85 PolarHBondContact O-N 2.95Å; W82-L85 PolarHBondContact O-N 2.99Å; F83-L85 PolarHBondContact O-N 3.32Å
86Y98.2Very high97.9Very high92 Ų9251.1 Ų51.136%0.36126%0.263SS..Hα-helixtrans-132.315.1-167.6-60.7-71000114.5W82 F83 E88 D89 L90W82-Y86 AromaticContact CD2-CD2 3.6Å; W82-Y86 HydrophobicContact CD2-CD2 3.6Å; W82-Y86 AromaticContact CD2-CE2 3.94Å; W82-Y86 HydrophobicContact CD2-CE2 3.94Å; W82-Y86 AromaticContact CE2-CD2 3.58Å; W82-Y86 AromaticContact CE3-CD2 3.9Å; W82-Y86 HydrophobicContact CE3-CD2 3.9Å; W82-Y86 AromaticContact CE3-CE2 3.73Å; W82-Y86 HydrophobicContact CE3-CE2 3.73Å; W82-Y86 HydrophobicContact CG-CD2 4.03Å; W82-Y86 HydrophobicContact CH2-CD2 4.16Å; W82-Y86 AromaticContact CH2-CE2 3.91Å; W82-Y86 HydrophobicContact CH2-CE2 3.91Å; W82-Y86 AromaticContact CZ2-CD2 3.87Å; W82-Y86 HydrophobicContact CZ2-CD2 3.87Å; W82-Y86 HydrophobicContact CZ2-CE2 4.11Å; W82-Y86 HydrophobicContact CZ2-CG 4.37Å; W82-Y86 HydrophobicContact CZ3-CD2 4.18Å; W82-Y86 AromaticContact CZ3-CE2 3.72Å; W82-Y86 HydrophobicContact CZ3-CE2 3.72Å; W82-Y86 AromaticContact NE1-CD2 3.97Å; W82-Y86 WeakPolarHBondContact O-CD2 3.49Å; W82-Y86 PolarHBondContact O-N 3.32Å; F83-Y86 CarbonylContact O-C 3.57Å; F83-Y86 PolarHBondContact O-N 2.96Å; F83-Y86 VanDerWaalsContact O-N 3.12Å; Y86-E88 PolarHBondContact O-N 2.83Å; Y86-E88 VanDerWaalsContact O-N 3.17Å; Y86-D89 PolarHBondContact O-N 2.63Å; Y86-D89 VanDerWaalsContact O-N 3.08Å; Y86-L90 PolarHBondContact O-N 3.41Å; Y86-L90 VanDerWaalsContact O-N 3.14Å
87Y97.7Very high97.9Very high70 Ų7052.5 Ų52.528%0.27527%0.271SS..THydrogen-bonded Turntrans-58.7-31.2-177.172.2-88.9000112.5F83 L90 V119F83-Y87 VanDerWaalsContact CE2-CB 3.48Å; F83-Y87 WeakPolarHBondContact O-CA 3.32Å; F83-Y87 VanDerWaalsContact O-CB 3.28Å; F83-Y87 WeakPolarHBondContact O-CB 3.36Å; F83-Y87 PolarHBondContact O-N 2.99Å; Y87-L90 WeakPolarHBondContact O-CB 3.42Å; Y87-V119 HydrophobicContact CD1-CG1 4.14Å; Y87-V119 HydrophobicContact CD1-CG2 4.29Å; Y87-V119 HydrophobicContact CD2-CG2 4.01Å; Y87-V119 HydrophobicContact CE1-CG1 3.95Å; Y87-V119 HydrophobicContact CE2-CG2 4.34Å; Y87-V119 HydrophobicContact CG-CG2 4.02Å
88E96.8Very high97.9Very high146 Ų14649 Ų4968%0.68225%0.252SS*.THydrogen-bonded Turntrans-70.7-30.5178.9-60.5-170.2159.200112.9Y86Y86-E88 PolarHBondContact O-N 2.83Å; Y86-E88 VanDerWaalsContact O-N 3.17Å
89D96.9Very high97.9Very high103 Ų10346.1 Ų46.155%0.55124%0.235SC*.THydrogen-bonded Turntrans-94.8-8.7-177.9-63.3-54.8000112.9Y86 L91 G92 D93Y86-D89 PolarHBondContact O-N 2.63Å; Y86-D89 VanDerWaalsContact O-N 3.08Å; D89-L91 VanDerWaalsContact C-N 3.25Å; D89-L91 PolarHBondContact O-N 2.97Å; D89-L91 VanDerWaalsContact O-N 3.11Å; D89-G92 PolarHBondContact O-N 3.48Å; D89-G92 VanDerWaalsContact O-N 3.12Å; D89-D93 WeakPolarHBondContact O-CB 3.32Å; D89-D93 PolarHBondContact O-N 2.96Å
90L97.1Very high97.9Very high0 Ų046.1 Ų46.10%024%0.235CC..THydrogen-bonded Turntrans-56.9-35.8-166.5-17064.5000114.1F83 Y86 Y87 G92 S98 W101 K102 Y111 I112F83-L90 HydrophobicContact CD2-CD2 4.4Å; Y86-L90 PolarHBondContact O-N 3.41Å; Y86-L90 VanDerWaalsContact O-N 3.14Å; Y87-L90 WeakPolarHBondContact O-CB 3.42Å; L90-G92 VanDerWaalsContact C-N 3.33Å; L90-G92 PolarHBondContact O-N 3.21Å; L90-S98 VanDerWaalsContact CD1-CA 3.41Å; L90-S98 WeakPolarHBondContact CD1-O 3.37Å; L90-W101 HydrophobicContact CD1-CB 3.81Å; L90-W101 HydrophobicContact CD2-CB 3.8Å; L90-W101 HydrophobicContact CG-CB 4.34Å; L90-K102 HydrophobicContact CG-CG 4.49Å; L90-K102 WeakPolarHBondContact O-CD 3.19Å; L90-K102 WeakPolarHBondContact O-CE 3.37Å; L90-Y111 WeakPolarHBondContact CD2-O 3.21Å; L90-I112 HydrophobicContact CB-CD1 3.9Å; L90-I112 HydrophobicContact CD2-CD1 3.58Å; L90-I112 HydrophobicContact CG-CD1 3.54Å
91L95.8Very high97.9Very high30 Ų3046 Ų4616%0.15723%0.234CC..THydrogen-bonded Turntrans-59.2-41.3-179.8-85.8169.7000113.1L18 F21 V22 D89 I112L18-L91 HydrophobicContact CB-CD1 4.3Å; L18-L91 HydrophobicContact CB-CD2 3.98Å; L18-L91 HydrophobicContact CD1-CD2 3.97Å; L18-L91 HydrophobicContact CD2-CD1 4.46Å; L18-L91 HydrophobicContact CG-CD2 4.41Å; F21-L91 HydrophobicContact CB-CD2 4.19Å; F21-L91 HydrophobicContact CD2-CD2 4.04Å; V22-L91 PolarHBondContact N-O 3.24Å; D89-L91 VanDerWaalsContact C-N 3.25Å; D89-L91 PolarHBondContact O-N 2.97Å; D89-L91 VanDerWaalsContact O-N 3.11Å; L91-I112 HydrophobicContact CB-CD1 4.48Å; L91-I112 HydrophobicContact CD2-CD1 3.8Å; L91-I112 HydrophobicContact CD2-CG1 3.29Å; L91-I112 HydrophobicContact CG-CD1 3.85Å; L91-I112 HydrophobicContact CG-CG1 3.7Å
92G96.3Very high97.9Very high30 Ų3045.4 Ų45.431%0.30923%0.228SC..THydrogen-bonded Turntrans-97-21.9-177.400000113.7N20 D89 L90N20-G92 WeakPolarHBondContact O-CA 3.42Å; D89-G92 PolarHBondContact O-N 3.48Å; D89-G92 VanDerWaalsContact O-N 3.12Å; L90-G92 VanDerWaalsContact C-N 3.33Å; L90-G92 PolarHBondContact O-N 3.21Å
93D97.7Very high97.8Very high50 Ų5042.5 Ų42.527%0.26722%0.217SC..  trans-71.9143.5-171-172.324.5000113.4D89 A95 S98 K102D89-D93 WeakPolarHBondContact O-CB 3.32Å; D89-D93 PolarHBondContact O-N 2.96Å; D93-A95 PolarHBondContact OD1-N 3.35Å; D93-A95 VanDerWaalsContact OD1-N 3.08Å; D93-A95 WeakPolarHBondContact OD2-CB 3.49Å; D93-S98 WeakPolarHBondContact OD2-CB 3.44Å; D93-S98 PolarHBondContact OD2-OG 3.23Å; D93-K102 WeakPolarHBondContact O-CE 3.13Å; D93-K102 PolarHBondContact O-NZ 2.91Å
94Q97.9Very high97.8Very high51 Ų5144.5 Ų44.524%0.23823%0.225CC..  trans-115.37.5-179.2-64.3-62.4-35.200112.8V22 P23 R26 Q99 K102V22-Q94 PolarHBondContact O-NE2 3.12Å; P23-Q94 PolarHBondContact O-NE2 3.41Å; R26-Q94 PolarHBondContact NH1-O 3.31Å; Q94-Q99 PolarHBondContact O-NE2 3.44Å; Q94-Q99 VanDerWaalsContact OE1-CD 3.3Å; Q94-Q99 VanDerWaalsContact OE1-NE2 3.13Å; Q94-K102 VanDerWaalsContact NE2-NZ 3.11Å
95A98.2Very high97.8Very high29 Ų2943 Ų4324%0.2422%0.216CC..SBendtrans-55.1149.9166.300000111W82 D93 L97 S98 Q99W82-A95 HydrophobicContact CH2-CB 3.95Å; W82-A95 HydrophobicContact CZ2-CB 3.45Å; W82-A95 VanDerWaalsContact CZ2-CB 3.45Å; D93-A95 PolarHBondContact OD1-N 3.35Å; D93-A95 VanDerWaalsContact OD1-N 3.08Å; D93-A95 WeakPolarHBondContact OD2-CB 3.49Å; A95-L97 VanDerWaalsContact C-N 3.33Å; A95-L97 PolarHBondContact O-N 3.27Å; A95-S98 WeakPolarHBondContact O-CB 3.32Å; A95-S98 PolarHBondContact O-N 3Å; A95-S98 VanDerWaalsContact O-N 3.16Å; A95-Q99 WeakPolarHBondContact O-CG 3.46Å; A95-Q99 PolarHBondContact O-N 3.07Å
96F98.3Very high97.8Very high73 Ų7338.5 Ų38.532%0.3219%0.19SC..Hα-helixtrans-57.2-45.3-176179-87.6000112.5Q99 L100F96-Q99 PolarHBondContact O-N 3.09Å; F96-L100 PolarHBondContact O-N 3.4Å
97L98.3Very high97.8Very high31 Ų3134.3 Ų34.316%0.16218%0.176CC..Hα-helixtrans-68.5-35.6179.5-67.2176.8000112V78 I79 W82 A95 Q99 L100 W101V78-L97 HydrophobicContact CG1-CD1 4.04Å; I79-L97 HydrophobicContact CG1-CD2 4.36Å; W82-L97 HydrophobicContact CB-CB 4.2Å; W82-L97 HydrophobicContact CB-CD1 3.74Å; W82-L97 HydrophobicContact CD2-CB 3.78Å; W82-L97 HydrophobicContact CD2-CD1 3.77Å; W82-L97 HydrophobicContact CD2-CG 4.39Å; W82-L97 HydrophobicContact CE3-CD1 3.79Å; W82-L97 HydrophobicContact CG-CB 3.57Å; W82-L97 HydrophobicContact CG-CD1 3.75Å; W82-L97 HydrophobicContact CG-CG 4.32Å; A95-L97 VanDerWaalsContact C-N 3.33Å; A95-L97 PolarHBondContact O-N 3.27Å; L97-Q99 VanDerWaalsContact C-N 3.35Å; L97-L100 HydrophobicContact CD2-CD2 4.28Å; L97-L100 WeakPolarHBondContact O-CB 3.45Å; L97-L100 PolarHBondContact O-N 3.47Å; L97-W101 VanDerWaalsContact O-CD1 3.26Å; L97-W101 PolarHBondContact O-N 2.91Å
98S98.5Very high97.8Very high0 Ų031 Ų310%016%0.163CC..Hα-helixtrans-64.2-40.9173.9-64.10000112.4W82 L90 D93 A95 L100 W101 K102W82-S98 PolarHBondContact NE1-OG 2.93Å; L90-S98 VanDerWaalsContact CD1-CA 3.41Å; L90-S98 WeakPolarHBondContact CD1-O 3.37Å; D93-S98 WeakPolarHBondContact OD2-CB 3.44Å; D93-S98 PolarHBondContact OD2-OG 3.23Å; A95-S98 WeakPolarHBondContact O-CB 3.32Å; A95-S98 PolarHBondContact O-N 3Å; A95-S98 VanDerWaalsContact O-N 3.16Å; S98-L100 VanDerWaalsContact C-N 3.34Å; S98-W101 PolarHBondContact O-N 2.8Å; S98-K102 PolarHBondContact O-N 3.48Å
99Q98.6Very high97.9Very high0 Ų024 Ų240%013%0.13CC..Hα-helixtrans-67.7-34.4173.6-67.5-168.250.300112.9N24 D25 R26 I31 Q94 A95 F96 L97 K102 E103N24-Q99 HydrophobicContact CB-CB 4.47Å; N24-Q99 HydrophobicContact CB-CG 4.33Å; N24-Q99 PolarHBondContact ND2-O 3.13Å; N24-Q99 WeakPolarHBondContact OD1-CA 3.5Å; N24-Q99 WeakPolarHBondContact OD1-CG 3.46Å; D25-Q99 VanDerWaalsContact OD1-CD 3.28Å; D25-Q99 PolarHBondContact OD1-NE2 2.95Å; D25-Q99 PolarHBondContact OD1-OE1 2.73Å; D25-Q99 VanDerWaalsContact OD1-OE1 3.07Å; R26-Q99 VanDerWaalsContact N-OE1 3.12Å; I31-Q99 HydrophobicContact CD1-CB 3.99Å; Q94-Q99 PolarHBondContact O-NE2 3.44Å; Q94-Q99 VanDerWaalsContact OE1-CD 3.3Å; Q94-Q99 VanDerWaalsContact OE1-NE2 3.13Å; A95-Q99 WeakPolarHBondContact O-CG 3.46Å; A95-Q99 PolarHBondContact O-N 3.07Å; F96-Q99 PolarHBondContact O-N 3.09Å; L97-Q99 VanDerWaalsContact C-N 3.35Å; Q99-K102 PolarHBondContact O-N 3.1Å; Q99-E103 WeakPolarHBondContact O-CB 3.21Å; Q99-E103 PolarHBondContact O-N 3.28Å
100L98.4Very high98Very high13 Ų1319.1 Ų19.17%0.06810%0.104CC..Hα-helixtrans-60.3-46.8172.217565.3000111.3I31 L35 I79 F96 L97 S98 E103 Y104I31-L100 HydrophobicContact CG2-CB 3.9Å; I31-L100 HydrophobicContact CG2-CD1 3.5Å; I31-L100 VanDerWaalsContact CG2-CD1 3.5Å; I31-L100 HydrophobicContact CG2-CG 4.32Å; L35-L100 HydrophobicContact CB-CD1 4.39Å; L35-L100 HydrophobicContact CD1-CD2 4.22Å; L35-L100 HydrophobicContact CD2-CD1 3.95Å; L35-L100 HydrophobicContact CD2-CD2 4.41Å; I79-L100 HydrophobicContact CD1-CD2 4.16Å; I79-L100 HydrophobicContact CG2-CD2 4.11Å; F96-L100 PolarHBondContact O-N 3.4Å; L97-L100 HydrophobicContact CD2-CD2 4.28Å; L97-L100 WeakPolarHBondContact O-CB 3.45Å; L97-L100 PolarHBondContact O-N 3.47Å; S98-L100 VanDerWaalsContact C-N 3.34Å; L100-E103 WeakPolarHBondContact O-CB 3.47Å; L100-E103 PolarHBondContact O-N 3.35Å; L100-Y104 PolarHBondContact O-N 3.27Å
101W98.5Very high98Very high11 Ų1119.2 Ų19.24%0.04210%0.104CC..Hα-helixtrans-66.2-39.4176.6-83.2115000112.9I79 E80 F83 L90 L97 S98 E103 Y104 A105 Y111I79-W101 HydrophobicContact CG2-CZ2 3.69Å; I79-W101 PolarHBondContact O-NE1 3.1Å; E80-W101 HydrophobicContact CG-CH2 4.34Å; E80-W101 HydrophobicContact CG-CZ2 4.07Å; F83-W101 HydrophobicContact CB-CD2 4.09Å; F83-W101 VanDerWaalsContact CB-CE2 3.45Å; F83-W101 HydrophobicContact CB-CG 4.42Å; F83-W101 HydrophobicContact CB-CH2 4.47Å; F83-W101 HydrophobicContact CB-CZ2 3.67Å; F83-W101 HydrophobicContact CD2-CD2 4.49Å; F83-W101 HydrophobicContact CG-CD2 4.47Å; F83-W101 HydrophobicContact CG-CZ2 4.22Å; L90-W101 HydrophobicContact CD1-CB 3.81Å; L90-W101 HydrophobicContact CD2-CB 3.8Å; L90-W101 HydrophobicContact CG-CB 4.34Å; L97-W101 VanDerWaalsContact O-CD1 3.26Å; L97-W101 PolarHBondContact O-N 2.91Å; S98-W101 PolarHBondContact O-N 2.8Å; W101-E103 VanDerWaalsContact C-N 3.28Å; W101-E103 PolarHBondContact O-N 2.81Å; W101-Y104 AromaticContact CE3-CD1 3.8Å; W101-Y104 HydrophobicContact CE3-CD1 3.8Å; W101-Y104 AromaticContact CZ3-CD1 3.51Å; W101-Y104 HydrophobicContact CZ3-CD1 3.51Å; W101-Y104 AromaticContact CZ3-CE1 3.87Å; W101-Y104 HydrophobicContact CZ3-CE1 3.87Å; W101-Y104 HydrophobicContact CZ3-CG 4.49Å; W101-Y104 PolarHBondContact O-N 3.01Å; W101-A105 WeakPolarHBondContact O-CB 3.3Å; W101-A105 PolarHBondContact O-N 2.65Å; W101-Y111 AromaticContact CE3-CD1 3.58Å; W101-Y111 HydrophobicContact CE3-CD1 3.58Å; W101-Y111 HydrophobicContact CE3-CE1 4.11Å; W101-Y111 AromaticContact CE3-CG 3.86Å; W101-Y111 HydrophobicContact CE3-CG 3.86Å; W101-Y111 AromaticContact CH2-CD1 3.74Å; W101-Y111 HydrophobicContact CH2-CD1 3.74Å; W101-Y111 AromaticContact CH2-CE1 3.42Å; W101-Y111 HydrophobicContact CH2-CE1 3.42Å; W101-Y111 VanDerWaalsContact CH2-CE1 3.42Å; W101-Y111 AromaticContact CZ3-CD1 3.1Å; W101-Y111 HydrophobicContact CZ3-CD1 3.1Å; W101-Y111 HydrophobicContact CZ3-CD2 4.14Å; W101-Y111 AromaticContact CZ3-CE1 3.16Å; W101-Y111 HydrophobicContact CZ3-CE1 3.16Å; W101-Y111 HydrophobicContact CZ3-CE2 4.2Å; W101-Y111 AromaticContact CZ3-CG 3.62Å; W101-Y111 HydrophobicContact CZ3-CG 3.62Å; W101-Y111 AromaticContact CZ3-CZ 3.73Å
102K98.3Very high98.1Very high0 Ų018.1 Ų18.10%010%0.098CC..Hα-helixtrans-59.5-37170-81.2-170.1-80171.40112.9Y11 V22 N24 L90 D93 Q94 S98 Q99 I112Y11-K102 VanDerWaalsContact CE1-O 3.32Å; Y11-K102 WeakPolarHBondContact CE1-O 3.24Å; Y11-K102 WeakPolarHBondContact OH-CA 3.37Å; Y11-K102 VanDerWaalsContact OH-CB 3.22Å; Y11-K102 WeakPolarHBondContact OH-CB 3.48Å; Y11-K102 WeakPolarHBondContact OH-CG 3.42Å; Y11-K102 PolarHBondContact OH-O 3.36Å; V22-K102 PolarHBondContact O-NZ 3.05Å; N24-K102 WeakPolarHBondContact OD1-CB 3.27Å; N24-K102 WeakPolarHBondContact OD1-CD 3.36Å; N24-K102 WeakPolarHBondContact OD1-CE 3.43Å; N24-K102 PolarHBondContact OD1-NZ 3.15Å; L90-K102 HydrophobicContact CG-CG 4.49Å; L90-K102 WeakPolarHBondContact O-CD 3.19Å; L90-K102 WeakPolarHBondContact O-CE 3.37Å; D93-K102 WeakPolarHBondContact O-CE 3.13Å; D93-K102 PolarHBondContact O-NZ 2.91Å; Q94-K102 VanDerWaalsContact NE2-NZ 3.11Å; S98-K102 PolarHBondContact O-N 3.48Å; Q99-K102 PolarHBondContact O-N 3.1Å; K102-I112 HydrophobicContact CG-CD1 3.81Å
103E98.2Very high98.1Very high2 Ų219.7 Ų19.71%0.00910%0.099CC..Hα-helixtrans-68-48.4174.1173.459-147.700111.2T28 I31 Q99 L100 W101 A105 K106 Y188T28-E103 HydrophobicContact CG2-CG 4.04Å; T28-E103 VanDerWaalsContact CG2-OE1 3.22Å; T28-E103 WeakPolarHBondContact CG2-OE1 3.31Å; T28-E103 PolarHBondContact OG1-OE2 2.98Å; I31-E103 HydrophobicContact CD1-CB 4.39Å; I31-E103 HydrophobicContact CG2-CB 4.48Å; Q99-E103 WeakPolarHBondContact O-CB 3.21Å; Q99-E103 PolarHBondContact O-N 3.28Å; L100-E103 WeakPolarHBondContact O-CB 3.47Å; L100-E103 PolarHBondContact O-N 3.35Å; W101-E103 VanDerWaalsContact C-N 3.28Å; W101-E103 PolarHBondContact O-N 2.81Å; E103-A105 VanDerWaalsContact C-N 3.29Å; E103-A105 PolarHBondContact O-N 3.43Å; E103-K106 WeakPolarHBondContact O-CB 3.32Å; E103-K106 WeakPolarHBondContact O-CG 3.37Å; E103-K106 PolarHBondContact O-N 3.28Å; E103-K106 IonicContact OE1-NZ 3.63Å; E103-K106 IonicContact OE2-NZ 3.36Å; E103-K106 PolarHBondContact OE2-NZ 2.98Å; E103-Y188 HydrophobicContact CG-CE2 4.08Å; E103-Y188 WeakPolarHBondContact OE1-CE2 3.46Å; E103-Y188 PolarHBondContact OE1-OH 3.27Å
104Y98.3Very high98Very high42 Ų4218.1 Ų18.117%0.16510%0.095CC..Hα-helixtrans-62.2-36.9178.8-176.2-110.8000112.3L100 W101 K106 G107 D108 Y111 Y188 N193L100-Y104 PolarHBondContact O-N 3.27Å; W101-Y104 AromaticContact CE3-CD1 3.8Å; W101-Y104 HydrophobicContact CE3-CD1 3.8Å; W101-Y104 AromaticContact CZ3-CD1 3.51Å; W101-Y104 HydrophobicContact CZ3-CD1 3.51Å; W101-Y104 AromaticContact CZ3-CE1 3.87Å; W101-Y104 HydrophobicContact CZ3-CE1 3.87Å; W101-Y104 HydrophobicContact CZ3-CG 4.49Å; W101-Y104 PolarHBondContact O-N 3.01Å; Y104-K106 PolarHBondContact O-N 3.45Å; Y104-G107 PolarHBondContact O-N 3.35Å; Y104-D108 PolarHBondContact O-N 3.23Å; Y104-Y111 HydrophobicContact CD1-CD2 4.07Å; Y104-Y111 HydrophobicContact CD1-CE2 4.16Å; Y104-Y111 AromaticContact CE1-CD2 3.89Å; Y104-Y111 HydrophobicContact CE1-CD2 3.89Å; Y104-Y111 AromaticContact CE1-CE2 3.53Å; Y104-Y111 HydrophobicContact CE1-CE2 3.53Å; Y104-Y188 HydrophobicContact CD2-CD2 4.3Å; Y104-Y188 HydrophobicContact CD2-CG 4.41Å; Y104-N193 PolarHBondContact OH-ND2 2.68Å; Y104-N193 PolarHBondContact OH-OD1 3.31Å; Y104-N193 VanDerWaalsContact OH-OD1 3.1Å
105A98.3Very high98Very high0 Ų017.8 Ų17.80%010%0.095CC..THydrogen-bonded Turntrans-64.4-10.4-179.800000114.3Y11 W101 E103 G107 D108 S109 I112Y11-A105 HydrophobicContact CD1-CB 4.06Å; Y11-A105 HydrophobicContact CE1-CB 3.73Å; W101-A105 WeakPolarHBondContact O-CB 3.3Å; W101-A105 PolarHBondContact O-N 2.65Å; E103-A105 VanDerWaalsContact C-N 3.29Å; E103-A105 PolarHBondContact O-N 3.43Å; A105-G107 VanDerWaalsContact C-N 3.26Å; A105-D108 VanDerWaalsContact CA-O 3.22Å; A105-D108 WeakPolarHBondContact CA-O 3.46Å; A105-D108 CarbonylContact O-C 3.56Å; A105-D108 PolarHBondContact O-N 2.83Å; A105-S109 VanDerWaalsContact O-CA 3.28Å; A105-S109 WeakPolarHBondContact O-CA 3.45Å; A105-S109 PolarHBondContact O-N 3.15Å; A105-S109 VanDerWaalsContact O-N 3.11Å; A105-S109 PolarHBondContact O-OG 3.5Å; A105-I112 HydrophobicContact CB-CB 3.99Å; A105-I112 HydrophobicContact CB-CG2 4.39Å
106K97.8Very high98Very high35 Ų3522.8 Ų22.815%0.15212%0.118CC..THydrogen-bonded Turntrans-68.1-28.7167.9-61.9175.7-176.3167.10112.4P10 Y11 E103 Y104 Y184P10-K106 HydrophobicContact CB-CG 4.41Å; P10-K106 HydrophobicContact CG-CG 4.36Å; Y11-K106 HydrophobicContact CE1-CG 4.2Å; E103-K106 WeakPolarHBondContact O-CB 3.32Å; E103-K106 WeakPolarHBondContact O-CG 3.37Å; E103-K106 PolarHBondContact O-N 3.28Å; E103-K106 IonicContact OE1-NZ 3.63Å; E103-K106 IonicContact OE2-NZ 3.36Å; E103-K106 PolarHBondContact OE2-NZ 2.98Å; Y104-K106 PolarHBondContact O-N 3.45Å; K106-Y184 HydrophobicContact CB-CD1 3.59Å; K106-Y184 HydrophobicContact CB-CD2 4.26Å; K106-Y184 HydrophobicContact CB-CE1 3.65Å; K106-Y184 HydrophobicContact CB-CE2 4.32Å; K106-Y184 HydrophobicContact CB-CG 3.92Å; K106-Y184 HydrophobicContact CD-CD1 4.36Å; K106-Y184 HydrophobicContact CD-CE1 3.55Å; K106-Y184 HydrophobicContact CD-CE2 4.31Å; K106-Y184 WeakPolarHBondContact CD-OH 3.26Å; K106-Y184 HydrophobicContact CG-CE1 4.29Å
107G98Very high98Very high5 Ų521.6 Ų21.65%0.05211%0.112CC..THydrogen-bonded Turntrans-82.4-29.6170.300000113.1Y104 A105 Y184Y104-G107 PolarHBondContact O-N 3.35Å; A105-G107 VanDerWaalsContact C-N 3.26Å; G107-Y184 VanDerWaalsContact CA-O 3.28Å; G107-Y184 WeakPolarHBondContact CA-O 3.17Å
108D98.4Very high98Very high0 Ų020.1 Ų20.10%011%0.105CC..  trans-151.598.6179.3-173.5-3000112.2Y104 A105 R110 Y111 Y165 F189Y104-D108 PolarHBondContact O-N 3.23Å; A105-D108 VanDerWaalsContact CA-O 3.22Å; A105-D108 WeakPolarHBondContact CA-O 3.46Å; A105-D108 CarbonylContact O-C 3.56Å; A105-D108 PolarHBondContact O-N 2.83Å; D108-R110 PolarHBondContact O-N 3.06Å; D108-R110 VanDerWaalsContact O-N 3.16Å; D108-R110 VanDerWaalsContact OD1-CB 3.24Å; D108-R110 WeakPolarHBondContact OD1-CB 3.46Å; D108-R110 WeakPolarHBondContact OD1-CG 3.11Å; D108-R110 IonicContact OD1-CZ 2.75Å; D108-R110 PolarHBondContact OD1-N 3.19Å; D108-R110 IonicContact OD1-NE 3.43Å; D108-R110 PolarHBondContact OD1-NE 3.3Å; D108-R110 IonicContact OD1-NH2 2.71Å; D108-R110 IonicContact OD2-CZ 3.22Å; D108-R110 IonicContact OD2-NE 3.81Å; D108-R110 PolarHBondContact OD2-NE 2.91Å; D108-R110 IonicContact OD2-NH2 3.6Å; D108-R110 PolarHBondContact OD2-NH2 3.3Å; D108-Y111 HydrophobicContact CB-CD2 4.11Å; D108-Y111 HydrophobicContact CB-CE2 4.32Å; D108-Y111 PolarHBondContact O-N 2.83Å; D108-Y165 WeakPolarHBondContact OD2-CE2 3.22Å; D108-Y165 PolarHBondContact OD2-OH 3.39Å; D108-F189 HydrophobicContact CB-CD2 4.23Å
109S98.5Very high98Very high0 Ų021 Ų210%011%0.111CC..THydrogen-bonded Turntrans-71.1-11.5-173.2-55.90000112.7W12 A105 Y111 I112 L113 H176W12-S109 PolarHBondContact N-OG 2.64Å; W12-S109 WeakPolarHBondContact O-CB 3.44Å; W12-S109 PolarHBondContact O-OG 3.23Å; A105-S109 VanDerWaalsContact O-CA 3.28Å; A105-S109 WeakPolarHBondContact O-CA 3.45Å; A105-S109 PolarHBondContact O-N 3.15Å; A105-S109 VanDerWaalsContact O-N 3.11Å; A105-S109 PolarHBondContact O-OG 3.5Å; S109-Y111 PolarHBondContact O-N 3.46Å; S109-Y111 VanDerWaalsContact O-N 3.12Å; S109-I112 VanDerWaalsContact O-CG2 3.3Å; S109-I112 WeakPolarHBondContact O-CG2 3.47Å; S109-I112 PolarHBondContact O-N 3.44Å; S109-L113 VanDerWaalsContact O-CG 3.26Å; S109-L113 WeakPolarHBondContact O-CG 3.29Å; S109-L113 PolarHBondContact O-N 3.35Å; S109-H176 WeakPolarHBondContact CB-O 3.39Å; S109-H176 PolarHBondContact N-O 3.07Å; S109-H176 PolarHBondContact OG-O 2.94Å
110R98.3Very high98Very high0 Ų024.8 Ų24.80%014%0.136CC..Hα-helixtrans-54.4-32.8174.8-70.8179.7-63.6176.42.9112.5D108 I112 L113 G114 D115 T118 Y165 E169 H176D108-R110 PolarHBondContact O-N 3.06Å; D108-R110 VanDerWaalsContact O-N 3.16Å; D108-R110 VanDerWaalsContact OD1-CB 3.24Å; D108-R110 WeakPolarHBondContact OD1-CB 3.46Å; D108-R110 WeakPolarHBondContact OD1-CG 3.11Å; D108-R110 IonicContact OD1-CZ 2.75Å; D108-R110 PolarHBondContact OD1-N 3.19Å; D108-R110 IonicContact OD1-NE 3.43Å; D108-R110 PolarHBondContact OD1-NE 3.3Å; D108-R110 IonicContact OD1-NH2 2.71Å; D108-R110 IonicContact OD2-CZ 3.22Å; D108-R110 IonicContact OD2-NE 3.81Å; D108-R110 PolarHBondContact OD2-NE 2.91Å; D108-R110 IonicContact OD2-NH2 3.6Å; D108-R110 PolarHBondContact OD2-NH2 3.3Å; R110-I112 PolarHBondContact O-N 3.49Å; R110-L113 PolarHBondContact O-N 2.94Å; R110-G114 PolarHBondContact O-N 3.25Å; R110-D115 HydrophobicContact CB-CB 3.61Å; R110-D115 HydrophobicContact CG-CB 3.93Å; R110-D115 PolarHBondContact O-N 3.4Å; R110-T118 HydrophobicContact CB-CG2 3.66Å; R110-Y165 PolarHBondContact NH1-O 3.23Å; R110-E169 WeakPolarHBondContact CD-OE2 3.41Å; R110-E169 IonicContact CZ-OE2 3.35Å; R110-E169 IonicContact NE-OE2 2.69Å; R110-E169 PolarHBondContact NE-OE2 2.9Å; R110-E169 IonicContact NH1-OE2 3.23Å; R110-E169 IonicContact NH2-OE2 3.92Å; R110-H176 HydrophobicContact CG-CB 3.85Å; R110-H176 VanDerWaalsContact CG-CG 3.48Å
111Y98.3Very high98Very high2 Ų225.5 Ų25.51%0.00814%0.139CC..Hα-helixtrans-69-28.8176.4-72.1-83.5000114.1F83 L90 W101 Y104 D108 S109 T118 E122 Y165F83-Y111 HydrophobicContact CD1-CD1 4.13Å; F83-Y111 HydrophobicContact CD1-CE1 4.27Å; F83-Y111 HydrophobicContact CD2-CD1 4.1Å; F83-Y111 AromaticContact CE1-CD1 3.76Å; F83-Y111 HydrophobicContact CE1-CD1 3.76Å; F83-Y111 AromaticContact CE1-CE1 3.96Å; F83-Y111 HydrophobicContact CE1-CE1 3.96Å; F83-Y111 AromaticContact CE2-CD1 3.75Å; F83-Y111 HydrophobicContact CE2-CD1 3.75Å; F83-Y111 HydrophobicContact CE2-CG 4.47Å; F83-Y111 VanDerWaalsContact CE2-O 3.29Å; F83-Y111 WeakPolarHBondContact CE2-O 3.46Å; F83-Y111 HydrophobicContact CG-CD1 4.28Å; F83-Y111 AromaticContact CZ-CD1 3.56Å; F83-Y111 HydrophobicContact CZ-CD1 3.56Å; F83-Y111 HydrophobicContact CZ-CE1 4.21Å; F83-Y111 HydrophobicContact CZ-CG 4.45Å; L90-Y111 WeakPolarHBondContact CD2-O 3.21Å; W101-Y111 AromaticContact CE3-CD1 3.58Å; W101-Y111 HydrophobicContact CE3-CD1 3.58Å; W101-Y111 HydrophobicContact CE3-CE1 4.11Å; W101-Y111 AromaticContact CE3-CG 3.86Å; W101-Y111 HydrophobicContact CE3-CG 3.86Å; W101-Y111 AromaticContact CH2-CD1 3.74Å; W101-Y111 HydrophobicContact CH2-CD1 3.74Å; W101-Y111 AromaticContact CH2-CE1 3.42Å; W101-Y111 HydrophobicContact CH2-CE1 3.42Å; W101-Y111 VanDerWaalsContact CH2-CE1 3.42Å; W101-Y111 AromaticContact CZ3-CD1 3.1Å; W101-Y111 HydrophobicContact CZ3-CD1 3.1Å; W101-Y111 HydrophobicContact CZ3-CD2 4.14Å; W101-Y111 AromaticContact CZ3-CE1 3.16Å; W101-Y111 HydrophobicContact CZ3-CE1 3.16Å; W101-Y111 HydrophobicContact CZ3-CE2 4.2Å; W101-Y111 AromaticContact CZ3-CG 3.62Å; W101-Y111 HydrophobicContact CZ3-CG 3.62Å; W101-Y111 AromaticContact CZ3-CZ 3.73Å; Y104-Y111 HydrophobicContact CD1-CD2 4.07Å; Y104-Y111 HydrophobicContact CD1-CE2 4.16Å; Y104-Y111 AromaticContact CE1-CD2 3.89Å; Y104-Y111 HydrophobicContact CE1-CD2 3.89Å; Y104-Y111 AromaticContact CE1-CE2 3.53Å; Y104-Y111 HydrophobicContact CE1-CE2 3.53Å; D108-Y111 HydrophobicContact CB-CD2 4.11Å; D108-Y111 HydrophobicContact CB-CE2 4.32Å; D108-Y111 PolarHBondContact O-N 2.83Å; S109-Y111 PolarHBondContact O-N 3.46Å; S109-Y111 VanDerWaalsContact O-N 3.12Å; Y111-T118 HydrophobicContact CE2-CG2 4.4Å; Y111-E122 HydrophobicContact CE1-CG 3.86Å; Y111-E122 WeakPolarHBondContact CE1-OE1 3.4Å; Y111-E122 PolarHBondContact OH-OE1 3.49Å; Y111-Y165 AromaticContact CE2-CE2 3.99Å; Y111-Y165 HydrophobicContact CE2-CE2 3.99Å
112I97.2Very high98Very high6 Ų625.4 Ų25.43%0.03114%0.139CC..Hα-helixtrans-91.6-20.4175.5-155.863.3000112.4Y11 L90 L91 K102 A105 S109 R110Y11-I112 HydrophobicContact CD1-CG2 3.89Å; Y11-I112 HydrophobicContact CD2-CG1 4.44Å; Y11-I112 HydrophobicContact CD2-CG2 3.9Å; Y11-I112 HydrophobicContact CE1-CG2 4.31Å; Y11-I112 HydrophobicContact CE2-CG1 4.06Å; Y11-I112 HydrophobicContact CE2-CG2 4.27Å; Y11-I112 HydrophobicContact CG-CG2 3.67Å; L90-I112 HydrophobicContact CB-CD1 3.9Å; L90-I112 HydrophobicContact CD2-CD1 3.58Å; L90-I112 HydrophobicContact CG-CD1 3.54Å; L91-I112 HydrophobicContact CB-CD1 4.48Å; L91-I112 HydrophobicContact CD2-CD1 3.8Å; L91-I112 HydrophobicContact CD2-CG1 3.29Å; L91-I112 HydrophobicContact CG-CD1 3.85Å; L91-I112 HydrophobicContact CG-CG1 3.7Å; K102-I112 HydrophobicContact CG-CD1 3.81Å; A105-I112 HydrophobicContact CB-CB 3.99Å; A105-I112 HydrophobicContact CB-CG2 4.39Å; S109-I112 VanDerWaalsContact O-CG2 3.3Å; S109-I112 WeakPolarHBondContact O-CG2 3.47Å; S109-I112 PolarHBondContact O-N 3.44Å; R110-I112 PolarHBondContact O-N 3.49Å
113L96.5Very high98Very high63 Ų6327.7 Ų27.733%0.3315%0.153SC..Hα-helixtrans-86-9176.9-63.5176.1000113.1L16 L18 S109 R110L16-L113 HydrophobicContact CD1-CD1 3.95Å; L16-L113 HydrophobicContact CD1-CD2 3.65Å; L16-L113 HydrophobicContact CD1-CG 4.48Å; L18-L113 HydrophobicContact CD2-CD2 3.7Å; S109-L113 VanDerWaalsContact O-CG 3.26Å; S109-L113 WeakPolarHBondContact O-CG 3.29Å; S109-L113 PolarHBondContact O-N 3.35Å; R110-L113 PolarHBondContact O-N 2.94Å
114G95.8Very high98Very high18 Ų1831.5 Ų31.519%0.18617%0.173CC..THydrogen-bonded Turntrans64.940.3-176.800000112.1R110 N116R110-G114 PolarHBondContact O-N 3.25Å; G114-N116 PolarHBondContact O-N 2.98Å
115D97.5Very high98Very high43 Ų4329.9 Ų29.923%0.2317%0.167CC..  trans-57.3132.8179.7169.666.1000111.3R110 F117 T118 V119R110-D115 HydrophobicContact CB-CB 3.61Å; R110-D115 HydrophobicContact CG-CB 3.93Å; R110-D115 PolarHBondContact O-N 3.4Å; D115-F117 VanDerWaalsContact C-N 3.28Å; D115-F117 PolarHBondContact O-N 2.88Å; D115-F117 WeakPolarHBondContact OD2-CA 3.5Å; D115-F117 WeakPolarHBondContact OD2-CB 3.22Å; D115-F117 PolarHBondContact OD2-N 3.26Å; D115-T118 HydrophobicContact CB-CG2 4.41Å; D115-T118 PolarHBondContact O-N 3.46Å; D115-T118 PolarHBondContact O-OG1 3.41Å; D115-T118 PolarHBondContact OD2-N 3.35Å; D115-V119 WeakPolarHBondContact O-CG2 3.5Å; D115-V119 PolarHBondContact O-N 3.16Å
116N97.9Very high98.1Very high135 Ų13530.6 Ų30.672%0.72217%0.173SC*.Hα-helixtrans-56.9-40.4-174.5-74.6-36.3000112.7G114 C120G114-N116 PolarHBondContact O-N 2.98Å; N116-C120 VanDerWaalsContact O-CB 3.28Å; N116-C120 WeakPolarHBondContact O-CB 3.36Å; N116-C120 PolarHBondContact O-N 2.82Å; N116-C120 PolarHBondContact O-SG 3.02Å
117F98.1Very high98.1Very high47 Ų4733 Ų3321%0.20619%0.193CC..Hα-helixtrans-66.9-49.6-179.5169.3-92.8000110.4D115 V119 C120 M121 L164 T168D115-F117 VanDerWaalsContact C-N 3.28Å; D115-F117 PolarHBondContact O-N 2.88Å; D115-F117 WeakPolarHBondContact OD2-CA 3.5Å; D115-F117 WeakPolarHBondContact OD2-CB 3.22Å; D115-F117 PolarHBondContact OD2-N 3.26Å; F117-V119 PolarHBondContact O-N 3.47Å; F117-C120 PolarHBondContact O-N 2.95Å; F117-M121 HydrophobicContact CE1-CB 4.24Å; F117-M121 HydrophobicContact CE1-CE 4.02Å; F117-M121 HydrophobicContact CE1-CG 4.38Å; F117-M121 HydrophobicContact CE2-CB 4.37Å; F117-M121 HydrophobicContact CZ-CB 4.04Å; F117-M121 HydrophobicContact CZ-CE 4.48Å; F117-M121 HydrophobicContact CZ-CG 4Å; F117-M121 VanDerWaalsContact O-CB 3.22Å; F117-M121 WeakPolarHBondContact O-CB 3.3Å; F117-M121 PolarHBondContact O-N 3.36Å; F117-L164 HydrophobicContact CE2-CB 3.64Å; F117-L164 HydrophobicContact CE2-CD1 4.12Å; F117-L164 HydrophobicContact CE2-CG 4.48Å; F117-L164 HydrophobicContact CZ-CB 3.43Å; F117-L164 VanDerWaalsContact CZ-CB 3.43Å; F117-T168 HydrophobicContact CB-CG2 4.41Å; F117-T168 HydrophobicContact CD1-CG2 4.3Å; F117-T168 HydrophobicContact CG-CG2 4.32Å
118T98.2Very high98.1Very high0 Ų037 Ų370%021%0.213CC..Hα-helixtrans-60.1-48.4179.462.10000111.6R110 Y111 D115 C120 M121 E122R110-T118 HydrophobicContact CB-CG2 3.66Å; Y111-T118 HydrophobicContact CE2-CG2 4.4Å; D115-T118 HydrophobicContact CB-CG2 4.41Å; D115-T118 PolarHBondContact O-N 3.46Å; D115-T118 PolarHBondContact O-OG1 3.41Å; D115-T118 PolarHBondContact OD2-N 3.35Å; T118-C120 VanDerWaalsContact C-N 3.35Å; T118-C120 PolarHBondContact O-N 2.94Å; T118-M121 PolarHBondContact O-N 3.07Å; T118-E122 WeakPolarHBondContact O-CB 3.36Å; T118-E122 VanDerWaalsContact O-CG 3.23Å; T118-E122 WeakPolarHBondContact O-CG 3.26Å; T118-E122 PolarHBondContact O-N 2.96Å
119V98.6Very high98.1Very high20 Ų2039.2 Ų39.212%0.12122%0.222CC..Hα-helixtrans-58.7-44.9178.1176.20000111.5F83 Y87 D115 F117 T123F83-V119 HydrophobicContact CE1-CG2 4.17Å; F83-V119 HydrophobicContact CZ-CG2 3.74Å; Y87-V119 HydrophobicContact CD1-CG1 4.14Å; Y87-V119 HydrophobicContact CD1-CG2 4.29Å; Y87-V119 HydrophobicContact CD2-CG2 4.01Å; Y87-V119 HydrophobicContact CE1-CG1 3.95Å; Y87-V119 HydrophobicContact CE2-CG2 4.34Å; Y87-V119 HydrophobicContact CG-CG2 4.02Å; D115-V119 WeakPolarHBondContact O-CG2 3.5Å; D115-V119 PolarHBondContact O-N 3.16Å; F117-V119 PolarHBondContact O-N 3.47Å; V119-T123 WeakPolarHBondContact O-CB 3.17Å; V119-T123 PolarHBondContact O-N 2.91Å; V119-T123 PolarHBondContact O-OG1 3.47Å
120C98.6Very high98.1Very high79 Ų7939.2 Ų39.253%0.53422%0.222SC..Hα-helixtrans-66.1-44.2178.9-70.90000112.6N116 F117 T118 T123 I124N116-C120 VanDerWaalsContact O-CB 3.28Å; N116-C120 WeakPolarHBondContact O-CB 3.36Å; N116-C120 PolarHBondContact O-N 2.82Å; N116-C120 PolarHBondContact O-SG 3.02Å; F117-C120 PolarHBondContact O-N 2.95Å; T118-C120 VanDerWaalsContact C-N 3.35Å; T118-C120 PolarHBondContact O-N 2.94Å; C120-T123 WeakPolarHBondContact O-CB 3.19Å; C120-T123 PolarHBondContact O-N 3.42Å; C120-I124 WeakPolarHBondContact O-CG1 3.38Å; C120-I124 PolarHBondContact O-N 2.89Å; C120-I124 VanDerWaalsContact O-N 3.15Å
121M98.6Very high98.1Very high28 Ų2842 Ų4214%0.13824%0.24CC..Hα-helixtrans-64.3-45.5-178.8-175.5-96.9-61.900110.8F117 T118 T123 I124 T125 Y165F117-M121 HydrophobicContact CE1-CB 4.24Å; F117-M121 HydrophobicContact CE1-CE 4.02Å; F117-M121 HydrophobicContact CE1-CG 4.38Å; F117-M121 HydrophobicContact CE2-CB 4.37Å; F117-M121 HydrophobicContact CZ-CB 4.04Å; F117-M121 HydrophobicContact CZ-CE 4.48Å; F117-M121 HydrophobicContact CZ-CG 4Å; F117-M121 VanDerWaalsContact O-CB 3.22Å; F117-M121 WeakPolarHBondContact O-CB 3.3Å; F117-M121 PolarHBondContact O-N 3.36Å; T118-M121 PolarHBondContact O-N 3.07Å; M121-T123 VanDerWaalsContact C-N 3.31Å; M121-T123 PolarHBondContact O-N 2.92Å; M121-I124 WeakPolarHBondContact O-CB 3.25Å; M121-I124 PolarHBondContact O-N 3.28Å; M121-I124 VanDerWaalsContact O-N 3.16Å; M121-T125 VanDerWaalsContact O-CG2 3.31Å; M121-T125 WeakPolarHBondContact O-CG2 3.43Å; M121-T125 PolarHBondContact O-N 3Å; M121-T125 HydrophobicContact SD-CG2 4.14Å; M121-Y165 HydrophobicContact CE-CD2 3.86Å; M121-Y165 HydrophobicContact CE-CG 4.45Å
122E98.6Very high98.1Very high8 Ų843.8 Ų43.84%0.03725%0.249CC..Hα-helixtrans-70.2-27.1176.5-59-58.7176.900113E80 F83 V84 Y111 T118 I124 T125 A126E80-E122 HydrophobicContact CB-CB 4.38Å; E80-E122 WeakPolarHBondContact CG-OE2 3.11Å; E80-E122 VanDerWaalsContact OE2-OE2 3.07Å; F83-E122 HydrophobicContact CD1-CB 3.73Å; F83-E122 HydrophobicContact CD1-CG 3.73Å; F83-E122 HydrophobicContact CE1-CB 3.9Å; F83-E122 HydrophobicContact CE1-CG 3.7Å; V84-E122 VanDerWaalsContact CG2-C 3.46Å; V84-E122 HydrophobicContact CG2-CB 3.75Å; Y111-E122 HydrophobicContact CE1-CG 3.86Å; Y111-E122 WeakPolarHBondContact CE1-OE1 3.4Å; Y111-E122 PolarHBondContact OH-OE1 3.49Å; T118-E122 WeakPolarHBondContact O-CB 3.36Å; T118-E122 VanDerWaalsContact O-CG 3.23Å; T118-E122 WeakPolarHBondContact O-CG 3.26Å; T118-E122 PolarHBondContact O-N 2.96Å; E122-I124 VanDerWaalsContact C-N 3.3Å; E122-I124 PolarHBondContact O-N 3.48Å; E122-T125 VanDerWaalsContact C-OG1 3.26Å; E122-T125 WeakPolarHBondContact CA-OG1 3.41Å; E122-T125 PolarHBondContact O-N 2.91Å; E122-T125 PolarHBondContact O-OG1 3.27Å; E122-T125 PolarHBondContact OE2-OG1 2.98Å; E122-A126 WeakPolarHBondContact O-CB 3.5Å; E122-A126 PolarHBondContact O-N 3.49Å
123T98.7Very high98.2Very high48 Ų4843.5 Ų43.529%0.29425%0.248SC..Hα-helixtrans-63.9-40.9171.4-60.80000110.6V84 V119 C120 M121 C127V84-T123 HydrophobicContact CG1-CG2 4.24Å; V84-T123 VanDerWaalsContact CG1-OG1 3.23Å; V84-T123 WeakPolarHBondContact CG1-OG1 3.23Å; V119-T123 WeakPolarHBondContact O-CB 3.17Å; V119-T123 PolarHBondContact O-N 2.91Å; V119-T123 PolarHBondContact O-OG1 3.47Å; C120-T123 WeakPolarHBondContact O-CB 3.19Å; C120-T123 PolarHBondContact O-N 3.42Å; M121-T123 VanDerWaalsContact C-N 3.31Å; M121-T123 PolarHBondContact O-N 2.92Å; T123-C127 VanDerWaalsContact O-CB 3.24Å; T123-C127 WeakPolarHBondContact O-CB 3.47Å; T123-C127 PolarHBondContact O-N 2.84Å; T123-C127 PolarHBondContact O-SG 2.87Å; T123-C127 VanDerWaalsContact O-SG 3.36Å
124I98.6Very high98.3Very high82 Ų8244.1 Ų44.142%0.42125%0.251SS..Hα-helixtrans-67.8-41.7177-67.5169.9000110.5C120 M121 E122 L128 W129C120-I124 WeakPolarHBondContact O-CG1 3.38Å; C120-I124 PolarHBondContact O-N 2.89Å; C120-I124 VanDerWaalsContact O-N 3.15Å; M121-I124 WeakPolarHBondContact O-CB 3.25Å; M121-I124 PolarHBondContact O-N 3.28Å; M121-I124 VanDerWaalsContact O-N 3.16Å; E122-I124 VanDerWaalsContact C-N 3.3Å; E122-I124 PolarHBondContact O-N 3.48Å; I124-L128 HydrophobicContact CG2-CD1 4.19Å; I124-L128 WeakPolarHBondContact O-CA 3.32Å; I124-L128 WeakPolarHBondContact O-CB 3.4Å; I124-L128 PolarHBondContact O-N 3.33Å; I124-W129 HydrophobicContact CG2-CZ2 4.18Å; I124-W129 PolarHBondContact O-N 3.12Å
125T98.5Very high98.4Very high8 Ų848.6 Ų48.65%0.04926%0.263CS..Iπ-helixtrans-62.9-46.7178.663.60000110.9E80 M121 E122 W129 G130E80-T125 WeakPolarHBondContact OE2-CB 3.32Å; E80-T125 PolarHBondContact OE2-OG1 3.38Å; M121-T125 VanDerWaalsContact O-CG2 3.31Å; M121-T125 WeakPolarHBondContact O-CG2 3.43Å; M121-T125 PolarHBondContact O-N 3Å; M121-T125 HydrophobicContact SD-CG2 4.14Å; E122-T125 VanDerWaalsContact C-OG1 3.26Å; E122-T125 WeakPolarHBondContact CA-OG1 3.41Å; E122-T125 PolarHBondContact O-N 2.91Å; E122-T125 PolarHBondContact O-OG1 3.27Å; E122-T125 PolarHBondContact OE2-OG1 2.98Å; T125-W129 VanDerWaalsContact CA-CD1 3.46Å; T125-W129 CarbonylContact O-C 3.6Å; T125-W129 WeakPolarHBondContact O-CA 3.44Å; T125-W129 PolarHBondContact O-N 3.05Å; T125-G130 PolarHBondContact O-N 3.06Å
126A98.6Very high98.5Very high15 Ų1546.6 Ų46.612%0.12425%0.252CS..Iπ-helixtrans-63.6-45.2178.100000112.3H76 L77 E122 P131H76-A126 WeakPolarHBondContact O-CA 3.35Å; H76-A126 WeakPolarHBondContact O-CB 3.36Å; L77-A126 WeakPolarHBondContact CD2-O 3.47Å; E122-A126 WeakPolarHBondContact O-CB 3.5Å; E122-A126 PolarHBondContact O-N 3.49Å; A126-P131 WeakPolarHBondContact O-CD 3.35Å
127C98.3Very high98.6Very high86 Ų8641.1 Ų41.158%0.58122%0.223SC*.Iπ-helixtrans-78.1-31.7-176.4-720000113.9T123T123-C127 VanDerWaalsContact O-CB 3.24Å; T123-C127 WeakPolarHBondContact O-CB 3.47Å; T123-C127 PolarHBondContact O-N 2.84Å; T123-C127 PolarHBondContact O-SG 2.87Å; T123-C127 VanDerWaalsContact O-SG 3.36Å
128L98.3Very high98.6Very high90 Ų9043.6 Ų43.647%0.47124%0.237SC..Iπ-helixtrans-117.9-58.6-173.9-59.8-176.7000112.8I124 G130 P131 L132I124-L128 HydrophobicContact CG2-CD1 4.19Å; I124-L128 WeakPolarHBondContact O-CA 3.32Å; I124-L128 WeakPolarHBondContact O-CB 3.4Å; I124-L128 PolarHBondContact O-N 3.33Å; L128-G130 VanDerWaalsContact C-N 3.34Å; L128-G130 PolarHBondContact O-N 3.47Å; L128-P131 WeakPolarHBondContact O-CD 3.39Å; L128-L132 VanDerWaalsContact O-CB 3.23Å; L128-L132 WeakPolarHBondContact O-CB 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.44Å; L128-L132 PolarHBondContact O-N 2.92Å
129W98.5Very high98.6Very high45 Ų4543.6 Ų43.617%0.1724%0.238CC..Iπ-helixtrans-66.9-34.5-172.4-52.3146.9000112.8I124 T125 L132 S133 V153I124-W129 HydrophobicContact CG2-CZ2 4.18Å; I124-W129 PolarHBondContact O-N 3.12Å; T125-W129 VanDerWaalsContact CA-CD1 3.46Å; T125-W129 CarbonylContact O-C 3.6Å; T125-W129 WeakPolarHBondContact O-CA 3.44Å; T125-W129 PolarHBondContact O-N 3.05Å; W129-L132 HydrophobicContact CE3-CD1 4Å; W129-L132 HydrophobicContact CZ3-CD1 3.99Å; W129-S133 WeakPolarHBondContact O-CB 3.46Å; W129-S133 PolarHBondContact O-N 3.39Å; W129-S133 PolarHBondContact O-OG 3.37Å; W129-V153 HydrophobicContact CZ3-CG1 4.39Å
130G98.6Very high98.6Very high0 Ų042.8 Ų42.80%023%0.232CC..Hα-helixtrans-60.1-62.7173.600000112.9H76 T125 L128 L132 S133 L134H76-G130 VanDerWaalsContact CB-CA 3.5Å; T125-G130 PolarHBondContact O-N 3.06Å; L128-G130 VanDerWaalsContact C-N 3.34Å; L128-G130 PolarHBondContact O-N 3.47Å; G130-L132 VanDerWaalsContact C-N 3.33Å; G130-L132 PolarHBondContact O-N 2.86Å; G130-S133 PolarHBondContact O-N 3.06Å; G130-L134 PolarHBondContact O-N 2.98Å
131P98.7Very high98.6Very high60 Ų6040.3 Ų40.339%0.3921%0.214SC..Hα-helixtrans-59-41.4178.7-26.836.5000113.1L77 A126 L128 S133 L134 W135L77-P131 HydrophobicContact CD2-CG 3.97Å; A126-P131 WeakPolarHBondContact O-CD 3.35Å; L128-P131 WeakPolarHBondContact O-CD 3.39Å; P131-S133 VanDerWaalsContact C-N 3.34Å; P131-S133 PolarHBondContact O-N 2.84Å; P131-L134 PolarHBondContact O-N 3.38Å; P131-W135 PolarHBondContact O-N 2.72Å
132L98.8Very high98.5Very high39 Ų3947 Ų4720%0.20424%0.238CC..Hα-helixtrans-66.6-35.6178.7-69.6175.9000112.1L128 W129 G130 W135 V136 L150 V154L128-L132 VanDerWaalsContact O-CB 3.23Å; L128-L132 WeakPolarHBondContact O-CB 3.3Å; L128-L132 WeakPolarHBondContact O-CG 3.44Å; L128-L132 PolarHBondContact O-N 2.92Å; W129-L132 HydrophobicContact CE3-CD1 4Å; W129-L132 HydrophobicContact CZ3-CD1 3.99Å; G130-L132 VanDerWaalsContact C-N 3.33Å; G130-L132 PolarHBondContact O-N 2.86Å; L132-W135 HydrophobicContact CD2-CE3 3.82Å; L132-W135 HydrophobicContact CD2-CZ3 4.3Å; L132-W135 CarbonylContact O-C 3.53Å; L132-W135 WeakPolarHBondContact O-CB 3.39Å; L132-W135 PolarHBondContact O-N 2.65Å; L132-W135 VanDerWaalsContact O-N 3.15Å; L132-V136 WeakPolarHBondContact O-CG2 3.37Å; L132-V136 PolarHBondContact O-N 3.31Å; L132-L150 HydrophobicContact CD2-CD2 4.14Å; L132-V154 HydrophobicContact CB-CG2 3.46Å; L132-V154 VanDerWaalsContact CB-CG2 3.46Å; L132-V154 HydrophobicContact CD1-CG2 4.25Å; L132-V154 HydrophobicContact CG-CG2 4.48Å
133S98.9Very high98.5Very high0 Ų049.8 Ų49.80%025%0.251CS..Hα-helixtrans-63.4-42175.8-64.70000111.8F69 W129 G130 P131 W135 V136 V137F69-S133 WeakPolarHBondContact O-CB 3.18Å; W129-S133 WeakPolarHBondContact O-CB 3.46Å; W129-S133 PolarHBondContact O-N 3.39Å; W129-S133 PolarHBondContact O-OG 3.37Å; G130-S133 PolarHBondContact O-N 3.06Å; P131-S133 VanDerWaalsContact C-N 3.34Å; P131-S133 PolarHBondContact O-N 2.84Å; S133-W135 VanDerWaalsContact C-N 3.3Å; S133-W135 PolarHBondContact O-N 3.05Å; S133-V136 WeakPolarHBondContact O-CB 3.21Å; S133-V136 PolarHBondContact O-N 2.87Å; S133-V137 PolarHBondContact O-N 3.34Å
134L98.5Very high98.4Very high75 Ų7550.9 Ų50.939%0.39325%0.252SS..Hα-helixtrans-63.3-38.6172.5-62.7-176.3000111.7L77 G130 P131 V136 V137 I138L77-L134 HydrophobicContact CD1-CD1 3.55Å; L77-L134 HydrophobicContact CD1-CG 4.28Å; G130-L134 PolarHBondContact O-N 2.98Å; P131-L134 PolarHBondContact O-N 3.38Å; L134-V136 PolarHBondContact O-N 2.79Å; L134-V137 WeakPolarHBondContact O-CB 3.15Å; L134-V137 PolarHBondContact O-N 3.04Å; L134-I138 WeakPolarHBondContact O-CG1 3.46Å; L134-I138 PolarHBondContact O-N 2.84Å; L134-I138 VanDerWaalsContact O-N 3.09Å
135W98.6Very high98.4Very high113 Ų11351.9 Ų51.943%0.42826%0.264SS..Hα-helixtrans-65.2-37.6175.1-168.89.1000112P131 L132 S133 V137 I138 A139 L146 L150P131-W135 PolarHBondContact O-N 2.72Å; L132-W135 HydrophobicContact CD2-CE3 3.82Å; L132-W135 HydrophobicContact CD2-CZ3 4.3Å; L132-W135 CarbonylContact O-C 3.53Å; L132-W135 WeakPolarHBondContact O-CB 3.39Å; L132-W135 PolarHBondContact O-N 2.65Å; L132-W135 VanDerWaalsContact O-N 3.15Å; S133-W135 VanDerWaalsContact C-N 3.3Å; S133-W135 PolarHBondContact O-N 3.05Å; W135-V137 VanDerWaalsContact C-N 3.3Å; W135-V137 PolarHBondContact O-N 2.91Å; W135-I138 PolarHBondContact O-N 2.8Å; W135-A139 WeakPolarHBondContact O-CB 3.16Å; W135-A139 PolarHBondContact O-N 2.91Å; W135-L146 HydrophobicContact CH2-CD1 4.31Å; W135-L146 HydrophobicContact CZ2-CD1 4.12Å; W135-L150 HydrophobicContact CB-CD1 4.49Å; W135-L150 HydrophobicContact CD2-CD1 3.76Å; W135-L150 HydrophobicContact CD2-CD2 4.04Å; W135-L150 HydrophobicContact CE3-CD1 4.37Å; W135-L150 HydrophobicContact CE3-CD2 3.78Å; W135-L150 HydrophobicContact CG-CD1 3.8Å; W135-L150 HydrophobicContact CZ3-CD2 4.1Å
136V98.8Very high98.4Very high0 Ų054.8 Ų54.80%028%0.279CS..Hα-helixtrans-55.7-47.6172.41750000110.4F69 L132 S133 L134 I138 A139 F140 L150 Q151 V154F69-V136 HydrophobicContact CB-CB 4.45Å; F69-V136 HydrophobicContact CB-CG1 4.43Å; F69-V136 HydrophobicContact CD1-CB 4.18Å; F69-V136 HydrophobicContact CD1-CG1 4.2Å; F69-V136 HydrophobicContact CD1-CG2 4.29Å; F69-V136 HydrophobicContact CD2-CB 4.2Å; F69-V136 HydrophobicContact CD2-CG1 3.4Å; F69-V136 VanDerWaalsContact CD2-CG1 3.4Å; F69-V136 HydrophobicContact CE1-CG1 4.34Å; F69-V136 HydrophobicContact CE1-CG2 4.26Å; F69-V136 HydrophobicContact CE2-CG1 3.59Å; F69-V136 HydrophobicContact CG-CB 4.02Å; F69-V136 HydrophobicContact CG-CG1 3.75Å; F69-V136 HydrophobicContact CZ-CG1 4.06Å; L132-V136 WeakPolarHBondContact O-CG2 3.37Å; L132-V136 PolarHBondContact O-N 3.31Å; S133-V136 WeakPolarHBondContact O-CB 3.21Å; S133-V136 PolarHBondContact O-N 2.87Å; L134-V136 PolarHBondContact O-N 2.79Å; V136-I138 PolarHBondContact O-N 3.1Å; V136-A139 PolarHBondContact O-N 3.46Å; V136-F140 HydrophobicContact CG1-CD2 3.7Å; V136-F140 HydrophobicContact CG1-CE2 3.71Å; V136-F140 WeakPolarHBondContact O-CD2 3.28Å; V136-F140 PolarHBondContact O-N 3.13Å; V136-L150 HydrophobicContact CG2-CB 3.57Å; V136-Q151 HydrophobicContact CG1-CB 4.41Å; V136-V154 HydrophobicContact CG2-CG2 4.22Å
137V98.7Very high98.4Very high20 Ų2056.3 Ų56.312%0.12128%0.282CS..Hα-helixtrans-56.3-53.8177.8177.20000110.8F69 A70 S133 L134 W135 A139 F140 L141F69-V137 HydrophobicContact CB-CG2 3.74Å; A70-V137 HydrophobicContact CB-CG2 4.41Å; S133-V137 PolarHBondContact O-N 3.34Å; L134-V137 WeakPolarHBondContact O-CB 3.15Å; L134-V137 PolarHBondContact O-N 3.04Å; W135-V137 VanDerWaalsContact C-N 3.3Å; W135-V137 PolarHBondContact O-N 2.91Å; V137-A139 VanDerWaalsContact C-N 3.32Å; V137-A139 PolarHBondContact O-N 3.43Å; V137-F140 PolarHBondContact O-N 2.98Å; V137-L141 HydrophobicContact CG1-CD1 4.01Å; V137-L141 HydrophobicContact CG1-CG 4.46Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.38Å; V137-L141 PolarHBondContact O-N 3.23Å
138I98.4Very high98.4Very high99 Ų9953.3 Ų53.351%0.50826%0.259SS..Hα-helixtrans-60.3-43.2179.8-64.3166.6000111L134 W135 V136 F140 L141 R142L134-I138 WeakPolarHBondContact O-CG1 3.46Å; L134-I138 PolarHBondContact O-N 2.84Å; L134-I138 VanDerWaalsContact O-N 3.09Å; W135-I138 PolarHBondContact O-N 2.8Å; V136-I138 PolarHBondContact O-N 3.1Å; I138-F140 VanDerWaalsContact C-N 3.32Å; I138-F140 PolarHBondContact O-N 3.31Å; I138-L141 PolarHBondContact O-N 3.38Å; I138-R142 HydrophobicContact CG2-CG 4.17Å; I138-R142 WeakPolarHBondContact O-CB 3.49Å; I138-R142 WeakPolarHBondContact O-CG 3.38Å; I138-R142 PolarHBondContact O-N 3.41Å
139A98.5Very high98.4Very high1 Ų152.6 Ų52.61%0.00825%0.254CS..Hα-helixtrans-61.2-40-178.400000111.8W135 V136 V137 Q143 H144 R147 L150W135-A139 WeakPolarHBondContact O-CB 3.16Å; W135-A139 PolarHBondContact O-N 2.91Å; V136-A139 PolarHBondContact O-N 3.46Å; V137-A139 VanDerWaalsContact C-N 3.32Å; V137-A139 PolarHBondContact O-N 3.43Å; A139-Q143 CarbonylContact O-C 3.56Å; A139-Q143 PolarHBondContact O-N 3.35Å; A139-Q143 VanDerWaalsContact O-N 3.12Å; A139-H144 HydrophobicContact CB-CB 3.86Å; A139-H144 PolarHBondContact O-N 2.88Å; A139-R147 HydrophobicContact CB-CB 3.79Å; A139-L150 HydrophobicContact CB-CD1 3.82Å
140F98.5Very high98.4Very high2 Ų251.1 Ų51.11%0.00925%0.25CS..Hα-helixtrans-71-43.5174.4-85.5-71.2000113R62 L66 V136 V137 I138 R142 Q143 R147 F148 Q151R62-F140 VanDerWaalsContact CD-CD1 3.43Å; R62-F140 HydrophobicContact CG-CD1 4.19Å; R62-F140 VanDerWaalsContact CZ-CE1 3.46Å; R62-F140 VanDerWaalsContact NH1-CE1 3.35Å; L66-F140 HydrophobicContact CD1-CB 4.26Å; L66-F140 HydrophobicContact CD2-CB 3.51Å; L66-F140 HydrophobicContact CD2-CD2 3.78Å; L66-F140 HydrophobicContact CD2-CG 3.82Å; L66-F140 HydrophobicContact CG-CB 4.49Å; V136-F140 HydrophobicContact CG1-CD2 3.7Å; V136-F140 HydrophobicContact CG1-CE2 3.71Å; V136-F140 WeakPolarHBondContact O-CD2 3.28Å; V136-F140 PolarHBondContact O-N 3.13Å; V137-F140 PolarHBondContact O-N 2.98Å; I138-F140 VanDerWaalsContact C-N 3.32Å; I138-F140 PolarHBondContact O-N 3.31Å; F140-R142 PolarHBondContact O-N 3.16Å; F140-Q143 PolarHBondContact O-N 3.14Å; F140-R147 HydrophobicContact CD1-CB 4.05Å; F140-R147 HydrophobicContact CD1-CG 4.03Å; F140-R147 HydrophobicContact CD2-CB 4.09Å; F140-R147 HydrophobicContact CE1-CB 4.02Å; F140-R147 HydrophobicContact CE1-CG 3.76Å; F140-R147 HydrophobicContact CE2-CB 4.06Å; F140-R147 HydrophobicContact CG-CB 4.07Å; F140-R147 HydrophobicContact CZ-CB 4.01Å; F140-R147 HydrophobicContact CZ-CG 4.06Å; F140-F148 HydrophobicContact CE1-CD1 4.22Å; F140-F148 AromaticContact CE1-CE1 3.78Å; F140-F148 HydrophobicContact CE1-CE1 3.78Å; F140-F148 HydrophobicContact CE1-CE2 4.33Å; F140-F148 AromaticContact CE1-CZ 3.83Å; F140-F148 HydrophobicContact CE1-CZ 3.83Å; F140-F148 AromaticContact CZ-CD1 3.87Å; F140-F148 HydrophobicContact CZ-CD1 3.87Å; F140-F148 AromaticContact CZ-CE1 3.81Å; F140-F148 HydrophobicContact CZ-CE1 3.81Å; F140-F148 HydrophobicContact CZ-CG 4.43Å; F140-F148 HydrophobicContact CZ-CZ 4.32Å; F140-Q151 HydrophobicContact CE2-CB 4.2Å; F140-Q151 VanDerWaalsContact CE2-OE1 3.29Å
141L98.2Very high98.4Very high28 Ų2851.1 Ų51.115%0.14725%0.25CS..Hα-helixtrans-59.7-32.2176.7-67177.2000112A54 V55 L58 L66 V137 I138A54-L141 WeakPolarHBondContact CA-O 3.35Å; A54-L141 HydrophobicContact CB-CD2 3.87Å; V55-L141 WeakPolarHBondContact CG2-O 3.4Å; V55-L141 PolarHBondContact N-O 2.96Å; L58-L141 HydrophobicContact CD1-CD2 4.13Å; L66-L141 HydrophobicContact CD1-CD2 3.7Å; L66-L141 HydrophobicContact CD1-CG 4.05Å; V137-L141 HydrophobicContact CG1-CD1 4.01Å; V137-L141 HydrophobicContact CG1-CG 4.46Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.38Å; V137-L141 PolarHBondContact O-N 3.23Å; I138-L141 PolarHBondContact O-N 3.38Å
142R98.2Very high98.4Very high168 Ų16850.2 Ų50.263%0.63424%0.242SC*.THydrogen-bonded Turntrans-100.35.5-177.8-61.3-54.4-143.3-1809.5115.1I138 F140 H144I138-R142 HydrophobicContact CG2-CG 4.17Å; I138-R142 WeakPolarHBondContact O-CB 3.49Å; I138-R142 WeakPolarHBondContact O-CG 3.38Å; I138-R142 PolarHBondContact O-N 3.41Å; F140-R142 PolarHBondContact O-N 3.16Å; R142-H144 PolarHBondContact O-N 3.2Å; R142-H144 VanDerWaalsContact O-N 3.16Å
143Q97Very high98.4Very high67 Ų6751.9 Ų51.931%0.31325%0.253SS..THydrogen-bonded Turntrans51.733.1-172.5-72.9-65.6-68.300113.5V55 V56 A139 F140 R147V55-Q143 HydrophobicContact CG2-CB 3.96Å; V55-Q143 HydrophobicContact CG2-CG 3.67Å; V56-Q143 HydrophobicContact CB-CG 4.43Å; V56-Q143 HydrophobicContact CG1-CG 4.05Å; V56-Q143 HydrophobicContact CG2-CG 3.52Å; A139-Q143 CarbonylContact O-C 3.56Å; A139-Q143 PolarHBondContact O-N 3.35Å; A139-Q143 VanDerWaalsContact O-N 3.12Å; F140-Q143 PolarHBondContact O-N 3.14Å; Q143-R147 VanDerWaalsContact C-NH1 3.29Å; Q143-R147 PolarHBondContact O-NH1 2.99Å; Q143-R147 VanDerWaalsContact OE1-NH2 3.08Å
144H98.2Very high98.4Very high70 Ų7051.9 Ų51.932%0.32425%0.253SS..  trans-62.3137.2178.7-165.7-93000110.1A139 R142 L146 R147A139-H144 HydrophobicContact CB-CB 3.86Å; A139-H144 PolarHBondContact O-N 2.88Å; R142-H144 PolarHBondContact O-N 3.2Å; R142-H144 VanDerWaalsContact O-N 3.16Å; H144-L146 WeakPolarHBondContact ND1-CB 3.45Å; H144-L146 PolarHBondContact ND1-N 3.08Å; H144-L146 PolarHBondContact O-N 3.02Å; H144-R147 WeakPolarHBondContact O-CB 3.43Å; H144-R147 WeakPolarHBondContact O-CD 3.4Å; H144-R147 VanDerWaalsContact O-CG 3.25Å; H144-R147 WeakPolarHBondContact O-CG 3.35Å; H144-R147 PolarHBondContact O-N 3.46Å; H144-R147 VanDerWaalsContact O-N 3.1Å; H144-R147 PolarHBondContact O-NH1 3.22Å
145P97.6Very high98.4Very high103 Ų10348.3 Ų48.367%0.66924%0.235SC*.THydrogen-bonded Turntrans-60.7-29.2-17621.7-33.6000113.2R147P145-R147 VanDerWaalsContact C-N 3.27Å; P145-R147 PolarHBondContact O-N 3.22Å
146L98.2Very high98.4Very high70 Ų7046.4 Ų46.437%0.36624%0.235SC..THydrogen-bonded Turntrans-74.6-7178.5-59.7179.5000114.7W135 H144 F148 I149 L150W135-L146 HydrophobicContact CH2-CD1 4.31Å; W135-L146 HydrophobicContact CZ2-CD1 4.12Å; H144-L146 WeakPolarHBondContact ND1-CB 3.45Å; H144-L146 PolarHBondContact ND1-N 3.08Å; H144-L146 PolarHBondContact O-N 3.02Å; L146-F148 VanDerWaalsContact C-N 3.28Å; L146-F148 PolarHBondContact O-N 2.86Å; L146-F148 VanDerWaalsContact O-N 3.11Å; L146-I149 WeakPolarHBondContact O-CA 3.33Å; L146-I149 WeakPolarHBondContact O-CB 3.4Å; L146-I149 PolarHBondContact O-N 2.9Å; L146-L150 HydrophobicContact CB-CD1 4.03Å; L146-L150 HydrophobicContact CB-CG 4.11Å; L146-L150 WeakPolarHBondContact O-CG 3.25Å; L146-L150 PolarHBondContact O-N 3.49Å
147R98.5Very high98.4Very high47 Ų4746.9 Ų46.918%0.17724%0.24CC..Hα-helixtrans-51.4-41.3-170.866.4-167.9173.7-95.59.6114.6A139 F140 Q143 H144 P145 Q151A139-R147 HydrophobicContact CB-CB 3.79Å; F140-R147 HydrophobicContact CD1-CB 4.05Å; F140-R147 HydrophobicContact CD1-CG 4.03Å; F140-R147 HydrophobicContact CD2-CB 4.09Å; F140-R147 HydrophobicContact CE1-CB 4.02Å; F140-R147 HydrophobicContact CE1-CG 3.76Å; F140-R147 HydrophobicContact CE2-CB 4.06Å; F140-R147 HydrophobicContact CG-CB 4.07Å; F140-R147 HydrophobicContact CZ-CB 4.01Å; F140-R147 HydrophobicContact CZ-CG 4.06Å; Q143-R147 VanDerWaalsContact C-NH1 3.29Å; Q143-R147 PolarHBondContact O-NH1 2.99Å; Q143-R147 VanDerWaalsContact OE1-NH2 3.08Å; H144-R147 WeakPolarHBondContact O-CB 3.43Å; H144-R147 WeakPolarHBondContact O-CD 3.4Å; H144-R147 VanDerWaalsContact O-CG 3.25Å; H144-R147 WeakPolarHBondContact O-CG 3.35Å; H144-R147 PolarHBondContact O-N 3.46Å; H144-R147 VanDerWaalsContact O-N 3.1Å; H144-R147 PolarHBondContact O-NH1 3.22Å; P145-R147 VanDerWaalsContact C-N 3.27Å; P145-R147 PolarHBondContact O-N 3.22Å; R147-Q151 WeakPolarHBondContact O-CB 3.32Å; R147-Q151 PolarHBondContact O-N 3.39Å
148F98.6Very high98.4Very high22 Ų2246.2 Ų46.210%0.09624%0.236CC..Hα-helixtrans-80.8-29179.1-70-70.1000113.2F140 L146 L152 H210 L211F140-F148 HydrophobicContact CE1-CD1 4.22Å; F140-F148 AromaticContact CE1-CE1 3.78Å; F140-F148 HydrophobicContact CE1-CE1 3.78Å; F140-F148 HydrophobicContact CE1-CE2 4.33Å; F140-F148 AromaticContact CE1-CZ 3.83Å; F140-F148 HydrophobicContact CE1-CZ 3.83Å; F140-F148 AromaticContact CZ-CD1 3.87Å; F140-F148 HydrophobicContact CZ-CD1 3.87Å; F140-F148 AromaticContact CZ-CE1 3.81Å; F140-F148 HydrophobicContact CZ-CE1 3.81Å; F140-F148 HydrophobicContact CZ-CG 4.43Å; F140-F148 HydrophobicContact CZ-CZ 4.32Å; L146-F148 VanDerWaalsContact C-N 3.28Å; L146-F148 PolarHBondContact O-N 2.86Å; L146-F148 VanDerWaalsContact O-N 3.11Å; F148-L152 VanDerWaalsContact O-CB 3.31Å; F148-L152 WeakPolarHBondContact O-CB 3.48Å; F148-L152 PolarHBondContact O-N 2.94Å; F148-H210 HydrophobicContact CD1-CB 3.76Å; F148-H210 HydrophobicContact CD2-CB 4.07Å; F148-H210 HydrophobicContact CE1-CB 3.66Å; F148-H210 AromaticContact CE1-CD2 3.27Å; F148-H210 WeakPolarHBondContact CE1-CD2 3.3Å; F148-H210 AromaticContact CE1-CG 3.43Å; F148-H210 VanDerWaalsContact CE1-CG 3.43Å; F148-H210 AromaticContact CE1-NE2 3.94Å; F148-H210 HydrophobicContact CE2-CB 3.99Å; F148-H210 AromaticContact CE2-CG 3.93Å; F148-H210 HydrophobicContact CG-CB 3.96Å; F148-H210 HydrophobicContact CZ-CB 3.78Å; F148-H210 AromaticContact CZ-CD2 3.49Å; F148-H210 VanDerWaalsContact CZ-CD2 3.49Å; F148-H210 WeakPolarHBondContact CZ-CD2 3.45Å; F148-H210 AromaticContact CZ-CE1 3.86Å; F148-H210 AromaticContact CZ-CG 3.35Å; F148-H210 AromaticContact CZ-ND1 3.6Å; F148-H210 AromaticContact CZ-NE2 3.8Å; F148-L211 HydrophobicContact CB-CD1 4.49Å; F148-L211 HydrophobicContact CB-CD2 3.93Å; F148-L211 HydrophobicContact CB-CG 4.02Å
149I98.6Very high98.4Very high75 Ų7543.4 Ų43.439%0.38522%0.221SC..Hα-helixtrans-67.9-47.4172.4-61.5-63.7000109.8L146 Q151 L152 V153 L211L146-I149 WeakPolarHBondContact O-CA 3.33Å; L146-I149 WeakPolarHBondContact O-CB 3.4Å; L146-I149 PolarHBondContact O-N 2.9Å; I149-Q151 PolarHBondContact O-N 3.46Å; I149-L152 PolarHBondContact O-N 3.23Å; I149-V153 HydrophobicContact CG2-CG2 4.29Å; I149-V153 WeakPolarHBondContact O-CB 3.46Å; I149-V153 WeakPolarHBondContact O-CG2 3.22Å; I149-V153 PolarHBondContact O-N 3.41Å; I149-L211 HydrophobicContact CD1-CD1 3.82Å; I149-L211 HydrophobicContact CD1-CD2 3.6Å; I149-L211 HydrophobicContact CD1-CG 4.37Å; I149-L211 HydrophobicContact CG1-CD2 4.13Å
150L98.8Very high98.5Very high15 Ų1550.8 Ų50.88%0.07925%0.25CC..Hα-helixtrans-59.4-47176.1-67.7167.4000110.9L132 W135 V136 A139 L146 L152 V153 V154L132-L150 HydrophobicContact CD2-CD2 4.14Å; W135-L150 HydrophobicContact CB-CD1 4.49Å; W135-L150 HydrophobicContact CD2-CD1 3.76Å; W135-L150 HydrophobicContact CD2-CD2 4.04Å; W135-L150 HydrophobicContact CE3-CD1 4.37Å; W135-L150 HydrophobicContact CE3-CD2 3.78Å; W135-L150 HydrophobicContact CG-CD1 3.8Å; W135-L150 HydrophobicContact CZ3-CD2 4.1Å; V136-L150 HydrophobicContact CG2-CB 3.57Å; A139-L150 HydrophobicContact CB-CD1 3.82Å; L146-L150 HydrophobicContact CB-CD1 4.03Å; L146-L150 HydrophobicContact CB-CG 4.11Å; L146-L150 WeakPolarHBondContact O-CG 3.25Å; L146-L150 PolarHBondContact O-N 3.49Å; L150-L152 VanDerWaalsContact C-N 3.33Å; L150-L152 PolarHBondContact O-N 3.19Å; L150-V153 PolarHBondContact O-N 3.3Å; L150-V154 WeakPolarHBondContact O-CB 3.41Å; L150-V154 VanDerWaalsContact O-CG2 3.32Å; L150-V154 WeakPolarHBondContact O-CG2 3.44Å; L150-V154 PolarHBondContact O-N 2.98Å
151Q98.9Very high98.5Very high0 Ų051.2 Ų51.20%026%0.255CS..Hα-helixtrans-56-47.8174.9177.6175.2-58.200111.5F69 V136 F140 R147 I149 S155 L203 D206 A207F69-Q151 HydrophobicContact CE2-CB 4.43Å; F69-Q151 HydrophobicContact CE2-CG 3.92Å; F69-Q151 HydrophobicContact CZ-CB 4.3Å; F69-Q151 HydrophobicContact CZ-CG 3.84Å; V136-Q151 HydrophobicContact CG1-CB 4.41Å; F140-Q151 HydrophobicContact CE2-CB 4.2Å; F140-Q151 VanDerWaalsContact CE2-OE1 3.29Å; R147-Q151 WeakPolarHBondContact O-CB 3.32Å; R147-Q151 PolarHBondContact O-N 3.39Å; I149-Q151 PolarHBondContact O-N 3.46Å; Q151-S155 WeakPolarHBondContact O-CB 3.34Å; Q151-S155 PolarHBondContact O-N 3.08Å; Q151-S155 PolarHBondContact O-OG 2.94Å; Q151-L203 HydrophobicContact CG-CB 4.14Å; Q151-L203 PolarHBondContact NE2-O 3.21Å; Q151-D206 PolarHBondContact NE2-OD2 3.22Å; Q151-A207 HydrophobicContact CG-CB 4.3Å
152L98.9Very high98.5Very high41 Ų4150.4 Ų50.422%0.21525%0.251CS..Hα-helixtrans-61.7-51.4180-179.163.3000111.6F148 I149 L150 S155 V156 V204 A207 V208 L211F148-L152 VanDerWaalsContact O-CB 3.31Å; F148-L152 WeakPolarHBondContact O-CB 3.48Å; F148-L152 PolarHBondContact O-N 2.94Å; I149-L152 PolarHBondContact O-N 3.23Å; L150-L152 VanDerWaalsContact C-N 3.33Å; L150-L152 PolarHBondContact O-N 3.19Å; L152-S155 PolarHBondContact O-N 3.1Å; L152-V156 HydrophobicContact CD1-CG2 4.09Å; L152-V156 WeakPolarHBondContact O-CB 3.13Å; L152-V156 VanDerWaalsContact O-CG2 3.31Å; L152-V156 WeakPolarHBondContact O-CG2 3.31Å; L152-V156 PolarHBondContact O-N 3.5Å; L152-V204 HydrophobicContact CD1-CB 4.33Å; L152-V204 HydrophobicContact CD1-CG1 3.87Å; L152-V204 HydrophobicContact CD1-CG2 4.24Å; L152-A207 HydrophobicContact CB-CB 3.89Å; L152-A207 HydrophobicContact CD1-CB 4.37Å; L152-V208 HydrophobicContact CD1-CG2 4.06Å; L152-L211 HydrophobicContact CD2-CD1 3.88Å
153V98.7Very high98.5Very high74 Ų7445.2 Ų45.245%0.44824%0.238SC..Hα-helixtrans-61.2-49.7-176.9169.60000111.1W129 I149 L150 S155 V156 G157W129-V153 HydrophobicContact CZ3-CG1 4.39Å; I149-V153 HydrophobicContact CG2-CG2 4.29Å; I149-V153 WeakPolarHBondContact O-CB 3.46Å; I149-V153 WeakPolarHBondContact O-CG2 3.22Å; I149-V153 PolarHBondContact O-N 3.41Å; L150-V153 PolarHBondContact O-N 3.3Å; V153-S155 PolarHBondContact O-N 3.3Å; V153-V156 PolarHBondContact O-N 2.96Å; V153-G157 PolarHBondContact O-N 2.98Å
154V98.8Very high98.6Very high0 Ų044.5 Ų44.50%024%0.236CC..Hα-helixtrans-63.6-43.7179.4175.90000110.7F69 L132 V136 L150 G157 Q158F69-V154 HydrophobicContact CD1-CG1 4.27Å; F69-V154 HydrophobicContact CE1-CB 4.12Å; F69-V154 HydrophobicContact CE1-CG1 3.75Å; L132-V154 HydrophobicContact CB-CG2 3.46Å; L132-V154 VanDerWaalsContact CB-CG2 3.46Å; L132-V154 HydrophobicContact CD1-CG2 4.25Å; L132-V154 HydrophobicContact CG-CG2 4.48Å; V136-V154 HydrophobicContact CG2-CG2 4.22Å; L150-V154 WeakPolarHBondContact O-CB 3.41Å; L150-V154 VanDerWaalsContact O-CG2 3.32Å; L150-V154 WeakPolarHBondContact O-CG2 3.44Å; L150-V154 PolarHBondContact O-N 2.98Å; V154-G157 PolarHBondContact O-N 3.12Å; V154-Q158 HydrophobicContact CG1-CG 4.49Å; V154-Q158 WeakPolarHBondContact O-CG 3.23Å; V154-Q158 PolarHBondContact O-N 2.87Å
155S98.8Very high98.6Very high0 Ų041.3 Ų41.30%022%0.221CC..Hα-helixtrans-66-41.5-178.4-55.10000112Q151 L152 V153 G157 Q158 I159 P200 L203Q151-S155 WeakPolarHBondContact O-CB 3.34Å; Q151-S155 PolarHBondContact O-N 3.08Å; Q151-S155 PolarHBondContact O-OG 2.94Å; L152-S155 PolarHBondContact O-N 3.1Å; V153-S155 PolarHBondContact O-N 3.3Å; S155-G157 VanDerWaalsContact C-N 3.34Å; S155-Q158 PolarHBondContact O-N 2.83Å; S155-I159 VanDerWaalsContact O-CG1 3.32Å; S155-I159 WeakPolarHBondContact O-CG1 3.34Å; S155-I159 PolarHBondContact O-N 3.2Å; S155-P200 WeakPolarHBondContact O-CB 3.46Å; S155-L203 WeakPolarHBondContact OG-CB 3.36Å
156V98.8Very high98.6Very high73 Ų7338.5 Ų38.544%0.44220%0.198SC..Hα-helixtrans-64.2-41.4174.3170.90000111L152 V153 Q158 I159 Y160 V204L152-V156 HydrophobicContact CD1-CG2 4.09Å; L152-V156 WeakPolarHBondContact O-CB 3.13Å; L152-V156 VanDerWaalsContact O-CG2 3.31Å; L152-V156 WeakPolarHBondContact O-CG2 3.31Å; L152-V156 PolarHBondContact O-N 3.5Å; V153-V156 PolarHBondContact O-N 2.96Å; V156-Q158 PolarHBondContact O-N 2.84Å; V156-I159 PolarHBondContact O-N 2.95Å; V156-Y160 WeakPolarHBondContact O-CB 3.19Å; V156-Y160 PolarHBondContact O-N 2.99Å; V156-V204 HydrophobicContact CG2-CG2 3.79Å
157G98.5Very high98.6Very high9 Ų939.5 Ų39.59%0.09320%0.203CC..Hα-helixtrans-58.8-44.7176.300000112.8V153 V154 S155 Y160 G161V153-G157 PolarHBondContact O-N 2.98Å; V154-G157 PolarHBondContact O-N 3.12Å; S155-G157 VanDerWaalsContact C-N 3.34Å; G157-Y160 PolarHBondContact O-N 2.73Å; G157-G161 PolarHBondContact O-N 2.71Å
158Q98.6Very high98.6Very high7 Ų738.9 Ų38.93%0.03321%0.205CC..Hα-helixtrans-62.4-48.1175.8-71.8-178.921.400111.9C72 V154 S155 V156 Y160 G161 D162 P200C72-Q158 PolarHBondContact SG-NE2 3.39Å; V154-Q158 HydrophobicContact CG1-CG 4.49Å; V154-Q158 WeakPolarHBondContact O-CG 3.23Å; V154-Q158 PolarHBondContact O-N 2.87Å; S155-Q158 PolarHBondContact O-N 2.83Å; V156-Q158 PolarHBondContact O-N 2.84Å; Q158-Y160 VanDerWaalsContact C-N 3.32Å; Q158-Y160 PolarHBondContact O-N 2.9Å; Q158-G161 PolarHBondContact O-N 3.28Å; Q158-D162 WeakPolarHBondContact O-CB 3.02Å; Q158-D162 PolarHBondContact O-N 3.26Å; Q158-P200 HydrophobicContact CB-CB 4.35Å; Q158-P200 HydrophobicContact CB-CG 4Å
159I98.8Very high98.6Very high40 Ų4038.1 Ų38.121%0.20520%0.202CC..Hα-helixtrans-58.1-46.2177.1-68167.4000111S155 V156 D162 V163 L197 P200 V204S155-I159 VanDerWaalsContact O-CG1 3.32Å; S155-I159 WeakPolarHBondContact O-CG1 3.34Å; S155-I159 PolarHBondContact O-N 3.2Å; V156-I159 PolarHBondContact O-N 2.95Å; I159-D162 PolarHBondContact O-N 2.74Å; I159-V163 HydrophobicContact CG2-CG2 4.32Å; I159-V163 WeakPolarHBondContact O-CB 3.47Å; I159-V163 VanDerWaalsContact O-CG2 3.29Å; I159-V163 WeakPolarHBondContact O-CG2 3.05Å; I159-V163 PolarHBondContact O-N 3.48Å; I159-L197 HydrophobicContact CB-CD1 4.44Å; I159-L197 HydrophobicContact CG1-CD1 4.33Å; I159-L197 HydrophobicContact CG2-CD1 3.73Å; I159-P200 HydrophobicContact CD1-CB 4.05Å; I159-P200 HydrophobicContact CG1-CB 3.7Å; I159-V204 HydrophobicContact CD1-CG2 3.97Å
160Y98.6Very high98.6Very high155 Ų15539.9 Ų39.961%0.60821%0.208SC*.Hα-helixtrans-63.5-45.1-178.6178.8-102.3000111.6V156 G157 Q158 V163 L164V156-Y160 WeakPolarHBondContact O-CB 3.19Å; V156-Y160 PolarHBondContact O-N 2.99Å; G157-Y160 PolarHBondContact O-N 2.73Å; Q158-Y160 VanDerWaalsContact C-N 3.32Å; Q158-Y160 PolarHBondContact O-N 2.9Å; Y160-V163 PolarHBondContact O-N 3.4Å; Y160-L164 HydrophobicContact CD1-CD1 3.99Å; Y160-L164 HydrophobicContact CE1-CD1 3.39Å; Y160-L164 HydrophobicContact CE1-CG 4.28Å; Y160-L164 HydrophobicContact CE2-CD1 4.35Å; Y160-L164 HydrophobicContact CE2-CG 4.48Å; Y160-L164 WeakPolarHBondContact O-CG 3.45Å; Y160-L164 PolarHBondContact O-N 3.42Å; Y160-L164 VanDerWaalsContact O-N 3.08Å
161G98.4Very high98.5Very high12 Ų1249.5 Ų49.512%0.12424%0.243CC..Hα-helixtrans-59.5-4617500000112.4G157 Q158 L164 Y165G157-G161 PolarHBondContact O-N 2.71Å; Q158-G161 PolarHBondContact O-N 3.28Å; G161-L164 PolarHBondContact O-N 3.36Å; G161-Y165 WeakPolarHBondContact O-CB 3.43Å; G161-Y165 PolarHBondContact O-N 3.17Å
162D98.5Very high98.4Very high10 Ų1052.2 Ų52.25%0.05326%0.258CS..Hα-helixtrans-68-38.4-178.6-167.450.2000112.6Q158 I159 L164 Y165 F166 W196 L197Q158-D162 WeakPolarHBondContact O-CB 3.02Å; Q158-D162 PolarHBondContact O-N 3.26Å; I159-D162 PolarHBondContact O-N 2.74Å; D162-L164 VanDerWaalsContact C-N 3.35Å; D162-L164 PolarHBondContact O-N 2.87Å; D162-Y165 WeakPolarHBondContact O-CB 3.44Å; D162-Y165 PolarHBondContact O-N 2.53Å; D162-F166 VanDerWaalsContact O-CD2 3.3Å; D162-F166 WeakPolarHBondContact O-CD2 3.15Å; D162-F166 PolarHBondContact O-N 3.4Å; D162-F166 WeakPolarHBondContact OD2-CE2 3.28Å; D162-W196 HydrophobicContact CB-CB 4.17Å; D162-L197 WeakPolarHBondContact OD2-CB 3.33Å
163V98.6Very high98.4Very high59 Ų5952.8 Ų52.836%0.35827%0.273SS..Hα-helixtrans-60.8-44.8171.6167.60000110.9I159 Y160 Y165 L167 L197I159-V163 HydrophobicContact CG2-CG2 4.32Å; I159-V163 WeakPolarHBondContact O-CB 3.47Å; I159-V163 VanDerWaalsContact O-CG2 3.29Å; I159-V163 WeakPolarHBondContact O-CG2 3.05Å; I159-V163 PolarHBondContact O-N 3.48Å; Y160-V163 PolarHBondContact O-N 3.4Å; V163-Y165 VanDerWaalsContact C-N 3.31Å; V163-Y165 PolarHBondContact O-N 3.21Å; V163-L167 HydrophobicContact CG1-CD1 3.65Å; V163-L167 HydrophobicContact CG1-CG 4.19Å; V163-L167 VanDerWaalsContact O-CB 3.28Å; V163-L167 WeakPolarHBondContact O-CB 3.2Å; V163-L167 WeakPolarHBondContact O-CG 3.19Å; V163-L167 PolarHBondContact O-N 3.03Å; V163-L197 HydrophobicContact CG2-CD1 4.34Å
164L98.5Very high98.3Very high53 Ų5351.8 Ų51.828%0.27726%0.263SS..Hα-helixtrans-64.7-36.9176.1-69.8178.1000112F117 Y160 G161 D162 L167 T168F117-L164 HydrophobicContact CE2-CB 3.64Å; F117-L164 HydrophobicContact CE2-CD1 4.12Å; F117-L164 HydrophobicContact CE2-CG 4.48Å; F117-L164 HydrophobicContact CZ-CB 3.43Å; F117-L164 VanDerWaalsContact CZ-CB 3.43Å; Y160-L164 HydrophobicContact CD1-CD1 3.99Å; Y160-L164 HydrophobicContact CE1-CD1 3.39Å; Y160-L164 HydrophobicContact CE1-CG 4.28Å; Y160-L164 HydrophobicContact CE2-CD1 4.35Å; Y160-L164 HydrophobicContact CE2-CG 4.48Å; Y160-L164 WeakPolarHBondContact O-CG 3.45Å; Y160-L164 PolarHBondContact O-N 3.42Å; Y160-L164 VanDerWaalsContact O-N 3.08Å; G161-L164 PolarHBondContact O-N 3.36Å; D162-L164 VanDerWaalsContact C-N 3.35Å; D162-L164 PolarHBondContact O-N 2.87Å; L164-L167 PolarHBondContact O-N 3.02Å; L164-T168 VanDerWaalsContact O-CB 3.29Å; L164-T168 WeakPolarHBondContact O-CB 3.45Å; L164-T168 PolarHBondContact O-N 2.65Å; L164-T168 PolarHBondContact O-OG1 2.6Å
165Y98.6Very high98.2Very high2 Ų256.2 Ų56.21%0.00828%0.284CS..Hα-helixtrans-58.1-53176.4172.6-97.9000112.2D108 R110 Y111 M121 G161 D162 V163 E169 F189 N193D108-Y165 WeakPolarHBondContact OD2-CE2 3.22Å; D108-Y165 PolarHBondContact OD2-OH 3.39Å; R110-Y165 PolarHBondContact NH1-O 3.23Å; Y111-Y165 AromaticContact CE2-CE2 3.99Å; Y111-Y165 HydrophobicContact CE2-CE2 3.99Å; M121-Y165 HydrophobicContact CE-CD2 3.86Å; M121-Y165 HydrophobicContact CE-CG 4.45Å; G161-Y165 WeakPolarHBondContact O-CB 3.43Å; G161-Y165 PolarHBondContact O-N 3.17Å; D162-Y165 WeakPolarHBondContact O-CB 3.44Å; D162-Y165 PolarHBondContact O-N 2.53Å; V163-Y165 VanDerWaalsContact C-N 3.31Å; V163-Y165 PolarHBondContact O-N 3.21Å; Y165-E169 PolarHBondContact O-N 2.69Å; Y165-F189 HydrophobicContact CD1-CE2 4.44Å; Y165-F189 AromaticContact CE1-CD2 3.89Å; Y165-F189 HydrophobicContact CE1-CD2 3.89Å; Y165-F189 AromaticContact CE1-CE2 3.54Å; Y165-F189 HydrophobicContact CE1-CE2 3.54Å; Y165-F189 HydrophobicContact CE1-CZ 4.21Å; Y165-F189 AromaticContact CZ-CD2 3.87Å; Y165-F189 AromaticContact CZ-CE2 3.68Å; Y165-F189 WeakPolarHBondContact OH-CD2 3.34Å; Y165-F189 WeakPolarHBondContact OH-CE2 3.29Å; Y165-N193 HydrophobicContact CD1-CB 4.25Å; Y165-N193 HydrophobicContact CE1-CB 3.96Å; Y165-N193 VanDerWaalsContact CE1-CG 3.43Å; Y165-N193 WeakPolarHBondContact CE1-ND2 3.46Å
166F98.4Very high98.2Very high44 Ų4457.2 Ų57.219%0.19329%0.289CS..Hα-helixtrans-66.4-43.6177.4-79.5-65.2000112.6D162 T168 E169 H170 F189 N193D162-F166 VanDerWaalsContact O-CD2 3.3Å; D162-F166 WeakPolarHBondContact O-CD2 3.15Å; D162-F166 PolarHBondContact O-N 3.4Å; D162-F166 WeakPolarHBondContact OD2-CE2 3.28Å; F166-T168 PolarHBondContact O-N 2.72Å; F166-E169 PolarHBondContact O-N 3.11Å; F166-H170 VanDerWaalsContact O-CB 3.29Å; F166-H170 WeakPolarHBondContact O-CB 3.42Å; F166-H170 PolarHBondContact O-N 3.46Å; F166-F189 AromaticContact CD1-CE1 3.67Å; F166-F189 HydrophobicContact CD1-CE1 3.67Å; F166-F189 AromaticContact CD1-CZ 3.7Å; F166-F189 HydrophobicContact CD1-CZ 3.7Å; F166-F189 HydrophobicContact CE1-CD1 4.13Å; F166-F189 AromaticContact CE1-CE1 3.68Å; F166-F189 HydrophobicContact CE1-CE1 3.68Å; F166-F189 HydrophobicContact CE1-CZ 4Å; F166-N193 HydrophobicContact CE1-CB 4.48Å; F166-N193 HydrophobicContact CE2-CB 3.85Å; F166-N193 HydrophobicContact CZ-CB 3.59Å
167L98.3Very high98.1Very high91 Ų9154.1 Ų54.148%0.47627%0.271SS..Hα-helixtrans-66.5-38.7-177.3-74180000112.2V163 L164 H170 R171V163-L167 HydrophobicContact CG1-CD1 3.65Å; V163-L167 HydrophobicContact CG1-CG 4.19Å; V163-L167 VanDerWaalsContact O-CB 3.28Å; V163-L167 WeakPolarHBondContact O-CB 3.2Å; V163-L167 WeakPolarHBondContact O-CG 3.19Å; V163-L167 PolarHBondContact O-N 3.03Å; L164-L167 PolarHBondContact O-N 3.02Å; L167-H170 PolarHBondContact O-N 3.36Å; L167-R171 WeakPolarHBondContact O-CB 3.29Å; L167-R171 WeakPolarHBondContact O-CG 3.48Å; L167-R171 PolarHBondContact O-N 3.48Å
168T98.2Very high98Very high35 Ų3557.6 Ų57.622%0.21529%0.285CS..Hα-helixtrans-60.5-49.4177.1-58.20000110.2F117 L164 F166 H170 R171 D172F117-T168 HydrophobicContact CB-CG2 4.41Å; F117-T168 HydrophobicContact CD1-CG2 4.3Å; F117-T168 HydrophobicContact CG-CG2 4.32Å; L164-T168 VanDerWaalsContact O-CB 3.29Å; L164-T168 WeakPolarHBondContact O-CB 3.45Å; L164-T168 PolarHBondContact O-N 2.65Å; L164-T168 PolarHBondContact O-OG1 2.6Å; F166-T168 PolarHBondContact O-N 2.72Å; T168-H170 VanDerWaalsContact C-N 3.33Å; T168-H170 PolarHBondContact O-N 2.92Å; T168-R171 PolarHBondContact O-N 2.91Å; T168-R171 VanDerWaalsContact O-N 3.16Å; T168-D172 PolarHBondContact O-N 3.48Å
169E98Very high97.9Very high5 Ų562.6 Ų62.62%0.02331%0.311CS..Hα-helixtrans-66.1-37.5178.9-171.857.3-16100112.4R110 Y165 F166 R171 D172 G173 F174 Q175 H176 F189R110-E169 WeakPolarHBondContact CD-OE2 3.41Å; R110-E169 IonicContact CZ-OE2 3.35Å; R110-E169 IonicContact NE-OE2 2.69Å; R110-E169 PolarHBondContact NE-OE2 2.9Å; R110-E169 IonicContact NH1-OE2 3.23Å; R110-E169 IonicContact NH2-OE2 3.92Å; Y165-E169 PolarHBondContact O-N 2.69Å; F166-E169 PolarHBondContact O-N 3.11Å; E169-R171 VanDerWaalsContact C-N 3.32Å; E169-R171 PolarHBondContact O-N 2.93Å; E169-D172 CarbonylContact O-C 3.6Å; E169-D172 PolarHBondContact O-N 3.13Å; E169-G173 PolarHBondContact O-N 3.21Å; E169-G173 VanDerWaalsContact O-N 3.13Å; E169-F174 HydrophobicContact CB-CD1 4.43Å; E169-F174 HydrophobicContact CG-CD1 3.66Å; E169-F174 HydrophobicContact CG-CE1 4.26Å; E169-F174 HydrophobicContact CG-CG 4.47Å; E169-F174 PolarHBondContact O-N 2.87Å; E169-F174 WeakPolarHBondContact OE1-CA 3.45Å; E169-Q175 PolarHBondContact OE1-N 3.47Å; E169-Q175 VanDerWaalsContact OE1-N 3.09Å; E169-H176 WeakPolarHBondContact OE1-CB 3.48Å; E169-H176 IonicContact OE1-CG 3.91Å; E169-H176 PolarHBondContact OE1-N 2.81Å; E169-H176 IonicContact OE1-ND1 3.8Å; E169-H176 PolarHBondContact OE1-ND1 3.35Å; E169-H176 IonicContact OE2-CE1 3.69Å; E169-H176 IonicContact OE2-CG 3.21Å; E169-H176 IonicContact OE2-ND1 3.57Å; E169-H176 PolarHBondContact OE2-ND1 2.94Å; E169-F189 HydrophobicContact CB-CE2 3.98Å; E169-F189 HydrophobicContact CB-CZ 3.73Å; E169-F189 HydrophobicContact CG-CE2 3.83Å; E169-F189 HydrophobicContact CG-CZ 3.68Å
170H98.1Very high97.9Very high113 Ų11362.3 Ų62.352%0.52332%0.318SS..Hα-helixtrans-61.8-40.9174.7178.157.3000111.9F166 L167 T168 D172 G173 F174F166-H170 VanDerWaalsContact O-CB 3.29Å; F166-H170 WeakPolarHBondContact O-CB 3.42Å; F166-H170 PolarHBondContact O-N 3.46Å; L167-H170 PolarHBondContact O-N 3.36Å; T168-H170 VanDerWaalsContact C-N 3.33Å; T168-H170 PolarHBondContact O-N 2.92Å; H170-D172 VanDerWaalsContact C-N 3.28Å; H170-D172 PolarHBondContact O-N 3.4Å; H170-G173 PolarHBondContact O-N 3.43Å; H170-G173 VanDerWaalsContact O-N 3.09Å; H170-F174 HydrophobicContact CB-CE1 4.38Å; H170-F174 HydrophobicContact CB-CE2 4.35Å; H170-F174 HydrophobicContact CB-CZ 3.88Å; H170-F174 AromaticContact ND1-CE2 3.42Å; H170-F174 WeakPolarHBondContact ND1-CE2 3.5Å; H170-F174 AromaticContact ND1-CZ 3.66Å
171R98Very high97.8Very high216 Ų21657.3 Ų57.382%0.81530%0.3SS*.Hα-helixtrans-66-32.8175.9-69.8-136.675.4118.92.5112.2L167 T168 E169 G173L167-R171 WeakPolarHBondContact O-CB 3.29Å; L167-R171 WeakPolarHBondContact O-CG 3.48Å; L167-R171 PolarHBondContact O-N 3.48Å; T168-R171 PolarHBondContact O-N 2.91Å; T168-R171 VanDerWaalsContact O-N 3.16Å; E169-R171 VanDerWaalsContact C-N 3.32Å; E169-R171 PolarHBondContact O-N 2.93Å; R171-G173 PolarHBondContact O-N 3.49Å
172D97.3Very high97.8Very high58 Ų5861.6 Ų61.631%0.3133%0.326SS..THydrogen-bonded Turntrans-79.82.7174.3-69.6-23.3000112.9T168 E169 H170 Q175 H176T168-D172 PolarHBondContact O-N 3.48Å; E169-D172 CarbonylContact O-C 3.6Å; E169-D172 PolarHBondContact O-N 3.13Å; H170-D172 VanDerWaalsContact C-N 3.28Å; H170-D172 PolarHBondContact O-N 3.4Å; D172-Q175 HydrophobicContact CB-CG 4.27Å; D172-Q175 WeakPolarHBondContact O-CG 3.02Å; D172-Q175 PolarHBondContact O-NE2 2.69Å; D172-H176 IonicContact OD2-CE1 3.99Å
173G97.7Very high97.7Very high52 Ų5264.3 Ų64.354%0.53634%0.34SS..THydrogen-bonded Turntrans74.124175.400000114.4E169 H170 R171 Q175E169-G173 PolarHBondContact O-N 3.21Å; E169-G173 VanDerWaalsContact O-N 3.13Å; H170-G173 PolarHBondContact O-N 3.43Å; H170-G173 VanDerWaalsContact O-N 3.09Å; R171-G173 PolarHBondContact O-N 3.49Å; G173-Q175 VanDerWaalsContact C-N 3.32Å; G173-Q175 PolarHBondContact O-N 3.09Å
174F97.4Very high97.7Very high54 Ų5464 Ų6424%0.23733%0.333CS..SBendtrans57.440.3-176.4-57.6-75.2000113.5E169 H170 L179 F185 F189E169-F174 HydrophobicContact CB-CD1 4.43Å; E169-F174 HydrophobicContact CG-CD1 3.66Å; E169-F174 HydrophobicContact CG-CE1 4.26Å; E169-F174 HydrophobicContact CG-CG 4.47Å; E169-F174 PolarHBondContact O-N 2.87Å; E169-F174 WeakPolarHBondContact OE1-CA 3.45Å; H170-F174 HydrophobicContact CB-CE1 4.38Å; H170-F174 HydrophobicContact CB-CE2 4.35Å; H170-F174 HydrophobicContact CB-CZ 3.88Å; H170-F174 AromaticContact ND1-CE2 3.42Å; H170-F174 WeakPolarHBondContact ND1-CE2 3.5Å; H170-F174 AromaticContact ND1-CZ 3.66Å; F174-L179 HydrophobicContact CB-CD1 3.85Å; F174-L179 HydrophobicContact CD2-CD1 4.15Å; F174-L179 HydrophobicContact CG-CD1 4.01Å; F174-F185 AromaticContact CD1-CE2 3.87Å; F174-F185 HydrophobicContact CD1-CE2 3.87Å; F174-F185 HydrophobicContact CD1-CZ 4.47Å; F174-F185 HydrophobicContact CE1-CE2 4.29Å; F174-F185 HydrophobicContact CG-CE2 4.32Å; F174-F189 HydrophobicContact CD1-CE1 4.12Å; F174-F189 HydrophobicContact CD1-CZ 4.35Å; F174-F189 AromaticContact CE1-CE1 3.82Å; F174-F189 HydrophobicContact CE1-CE1 3.82Å; F174-F189 HydrophobicContact CE1-CZ 4.15Å
175Q97Very high97.7Very high92 Ų9262.5 Ų62.543%0.4332%0.324SS..THydrogen-bonded Turntrans-83.2-11.4-174.573.5-177.4-77.400114.4W12 E169 D172 G173W12-Q175 WeakPolarHBondContact CB-O 3.4Å; E169-Q175 PolarHBondContact OE1-N 3.47Å; E169-Q175 VanDerWaalsContact OE1-N 3.09Å; D172-Q175 HydrophobicContact CB-CG 4.27Å; D172-Q175 WeakPolarHBondContact O-CG 3.02Å; D172-Q175 PolarHBondContact O-NE2 2.69Å; G173-Q175 VanDerWaalsContact C-N 3.32Å; G173-Q175 PolarHBondContact O-N 3.09Å
176H98Very high97.7Very high22 Ų2269.4 Ų69.410%0.10235%0.35CS..THydrogen-bonded Turntrans-96.711.9-175.8-55107.5000113.2S109 R110 E169 D172S109-H176 WeakPolarHBondContact CB-O 3.39Å; S109-H176 PolarHBondContact N-O 3.07Å; S109-H176 PolarHBondContact OG-O 2.94Å; R110-H176 HydrophobicContact CG-CB 3.85Å; R110-H176 VanDerWaalsContact CG-CG 3.48Å; E169-H176 WeakPolarHBondContact OE1-CB 3.48Å; E169-H176 IonicContact OE1-CG 3.91Å; E169-H176 PolarHBondContact OE1-N 2.81Å; E169-H176 IonicContact OE1-ND1 3.8Å; E169-H176 PolarHBondContact OE1-ND1 3.35Å; E169-H176 IonicContact OE2-CE1 3.69Å; E169-H176 IonicContact OE2-CG 3.21Å; E169-H176 IonicContact OE2-ND1 3.57Å; E169-H176 PolarHBondContact OE2-ND1 2.94Å; D172-H176 IonicContact OD2-CE1 3.99Å
177G96.9Very high97.6Very high7 Ų770.7 Ų70.77%0.07236%0.356CS..SBendtrans-155170171.800000111.8L179G177-L179 PolarHBondContact O-N 3.16Å; G177-L179 VanDerWaalsContact O-N 3.11Å
178E96.8Very high97.6Very high83 Ų8366.7 Ų66.739%0.38834%0.335SS..  trans-76.499.6174.4-172177176.800110.3W12 G180 H181 F185W12-E178 HydrophobicContact CH2-CG 4.48Å; W12-E178 HydrophobicContact CZ2-CB 3.72Å; W12-E178 HydrophobicContact CZ2-CG 3.74Å; E178-G180 PolarHBondContact O-N 3.32Å; E178-H181 HydrophobicContact CB-CB 3.97Å; E178-H181 HydrophobicContact CG-CB 4.03Å; E178-H181 WeakPolarHBondContact O-CB 3.41Å; E178-H181 PolarHBondContact O-N 3.18Å; E178-H181 VanDerWaalsContact O-N 3.08Å; E178-H181 IonicContact OE2-CD2 2.65Å; E178-H181 PolarHBondContact OE2-CD2 3.23Å; E178-H181 IonicContact OE2-CG 3.05Å; E178-F185 WeakPolarHBondContact O-CB 3.4Å
179L96.7Very high97.6Very high111 Ų11165.2 Ų65.258%0.58133%0.325SS*.THydrogen-bonded Turntrans-54.9123.2-177.8-176.162.1000111.9F174 G177 F185F174-L179 HydrophobicContact CB-CD1 3.85Å; F174-L179 HydrophobicContact CD2-CD1 4.15Å; F174-L179 HydrophobicContact CG-CD1 4.01Å; G177-L179 PolarHBondContact O-N 3.16Å; G177-L179 VanDerWaalsContact O-N 3.11Å; L179-F185 HydrophobicContact CD1-CD2 4.06Å; L179-F185 HydrophobicContact CD1-CE1 4.04Å; L179-F185 HydrophobicContact CD1-CE2 3.5Å; L179-F185 HydrophobicContact CD1-CZ 3.49Å; L179-F185 VanDerWaalsContact CD1-CZ 3.49Å
180G97.3Very high97.6Very high34 Ų3466.9 Ų66.935%0.35134%0.336SS..THydrogen-bonded Turntrans85.6-417800000115.6E178 W186E178-G180 PolarHBondContact O-N 3.32Å; G180-W186 PolarHBondContact O-NE1 2.89Å
181H97.8Very high97.6Very high50 Ų5066.5 Ų66.523%0.23133%0.333CS..  trans-59124.8176.5-173.7-72000111E178 L183 Y184 F185 W186E178-H181 HydrophobicContact CB-CB 3.97Å; E178-H181 HydrophobicContact CG-CB 4.03Å; E178-H181 WeakPolarHBondContact O-CB 3.41Å; E178-H181 PolarHBondContact O-N 3.18Å; E178-H181 VanDerWaalsContact O-N 3.08Å; E178-H181 IonicContact OE2-CD2 2.65Å; E178-H181 PolarHBondContact OE2-CD2 3.23Å; E178-H181 IonicContact OE2-CG 3.05Å; H181-L183 VanDerWaalsContact C-N 3.33Å; H181-L183 PolarHBondContact ND1-N 2.91Å; H181-L183 VanDerWaalsContact ND1-N 3.16Å; H181-L183 PolarHBondContact O-N 3.42Å; H181-Y184 AromaticContact CD2-CD2 3.93Å; H181-Y184 AromaticContact CE1-CD2 3.44Å; H181-Y184 VanDerWaalsContact CE1-CD2 3.44Å; H181-Y184 WeakPolarHBondContact CE1-CD2 3.47Å; H181-Y184 AromaticContact CE1-CE2 3.73Å; H181-Y184 AromaticContact CG-CD2 3.82Å; H181-Y184 AromaticContact ND1-CD2 3.51Å; H181-Y184 AromaticContact ND1-CG 3.87Å; H181-Y184 PolarHBondContact ND1-N 2.97Å; H181-Y184 VanDerWaalsContact ND1-N 3.13Å; H181-Y184 AromaticContact NE2-CD2 3.72Å; H181-Y184 AromaticContact NE2-CE2 3.86Å; H181-F185 HydrophobicContact CB-CB 4.41Å; H181-F185 WeakPolarHBondContact O-CA 3.45Å; H181-F185 WeakPolarHBondContact O-CB 3.5Å; H181-F185 PolarHBondContact O-N 3.19Å; H181-W186 PolarHBondContact O-N 2.87Å; H181-W186 VanDerWaalsContact O-N 3.14Å
182P97.9Very high97.6Very high103 Ų10358.3 Ų58.367%0.66930%0.304SS*.Iπ-helixtrans-56.1-40.3-172.6-28.635.1000114.9W186 F187P182-W186 WeakPolarHBondContact O-CB 3.32Å; P182-F187 PolarHBondContact O-N 2.92Å
183L96.8Very high97.7Very high67 Ų6756.2 Ų56.235%0.35129%0.293SS..Iπ-helixtrans-83.1-66.8177.4-176.265.1000111.7H181 F187 Y188H181-L183 VanDerWaalsContact C-N 3.33Å; H181-L183 PolarHBondContact ND1-N 2.91Å; H181-L183 VanDerWaalsContact ND1-N 3.16Å; H181-L183 PolarHBondContact O-N 3.42Å; L183-F187 HydrophobicContact CD1-CB 4.28Å; L183-F187 HydrophobicContact CD1-CD1 3.76Å; L183-F187 HydrophobicContact CD1-CG 4.37Å; L183-F187 CarbonylContact O-C 3.46Å; L183-F187 WeakPolarHBondContact O-CA 3.46Å; L183-F187 WeakPolarHBondContact O-CB 3.18Å; L183-F187 PolarHBondContact O-N 3.36Å; L183-Y188 HydrophobicContact CD1-CD1 4.45Å; L183-Y188 HydrophobicContact CD1-CE1 3.97Å; L183-Y188 HydrophobicContact CG-CE1 4.29Å; L183-Y188 PolarHBondContact O-N 3.04Å
184Y97.6Very high97.7Very high52 Ų5255.1 Ų55.120%0.20428%0.279CS..Iπ-helixtrans-65.8-43.5-171.2-56.8-46.2000114.7K106 G107 H181 Y188 F189K106-Y184 HydrophobicContact CB-CD1 3.59Å; K106-Y184 HydrophobicContact CB-CD2 4.26Å; K106-Y184 HydrophobicContact CB-CE1 3.65Å; K106-Y184 HydrophobicContact CB-CE2 4.32Å; K106-Y184 HydrophobicContact CB-CG 3.92Å; K106-Y184 HydrophobicContact CD-CD1 4.36Å; K106-Y184 HydrophobicContact CD-CE1 3.55Å; K106-Y184 HydrophobicContact CD-CE2 4.31Å; K106-Y184 WeakPolarHBondContact CD-OH 3.26Å; K106-Y184 HydrophobicContact CG-CE1 4.29Å; G107-Y184 VanDerWaalsContact CA-O 3.28Å; G107-Y184 WeakPolarHBondContact CA-O 3.17Å; H181-Y184 AromaticContact CD2-CD2 3.93Å; H181-Y184 AromaticContact CE1-CD2 3.44Å; H181-Y184 VanDerWaalsContact CE1-CD2 3.44Å; H181-Y184 WeakPolarHBondContact CE1-CD2 3.47Å; H181-Y184 AromaticContact CE1-CE2 3.73Å; H181-Y184 AromaticContact CG-CD2 3.82Å; H181-Y184 AromaticContact ND1-CD2 3.51Å; H181-Y184 AromaticContact ND1-CG 3.87Å; H181-Y184 PolarHBondContact ND1-N 2.97Å; H181-Y184 VanDerWaalsContact ND1-N 3.13Å; H181-Y184 AromaticContact NE2-CD2 3.72Å; H181-Y184 AromaticContact NE2-CE2 3.86Å; Y184-Y188 AromaticContact CD1-CD2 3.93Å; Y184-Y188 HydrophobicContact CD1-CD2 3.93Å; Y184-Y188 AromaticContact CD1-CE2 3.9Å; Y184-Y188 HydrophobicContact CD1-CE2 3.9Å; Y184-Y188 HydrophobicContact CE1-CE2 4.1Å; Y184-Y188 WeakPolarHBondContact O-CB 3.23Å; Y184-F189 PolarHBondContact O-N 3.29Å
185F98.4Very high97.7Very high22 Ų2255.1 Ų55.110%0.09628%0.281CS..Iπ-helixtrans-80.9-58.3177.9-178.2-102.5000111.6F174 E178 L179 H181 F189 V190F174-F185 AromaticContact CD1-CE2 3.87Å; F174-F185 HydrophobicContact CD1-CE2 3.87Å; F174-F185 HydrophobicContact CD1-CZ 4.47Å; F174-F185 HydrophobicContact CE1-CE2 4.29Å; F174-F185 HydrophobicContact CG-CE2 4.32Å; E178-F185 WeakPolarHBondContact O-CB 3.4Å; L179-F185 HydrophobicContact CD1-CD2 4.06Å; L179-F185 HydrophobicContact CD1-CE1 4.04Å; L179-F185 HydrophobicContact CD1-CE2 3.5Å; L179-F185 HydrophobicContact CD1-CZ 3.49Å; L179-F185 VanDerWaalsContact CD1-CZ 3.49Å; H181-F185 HydrophobicContact CB-CB 4.41Å; H181-F185 WeakPolarHBondContact O-CA 3.45Å; H181-F185 WeakPolarHBondContact O-CB 3.5Å; H181-F185 PolarHBondContact O-N 3.19Å; F185-F189 HydrophobicContact CD2-CD1 4.08Å; F185-F189 AromaticContact CE2-CD1 3.88Å; F185-F189 HydrophobicContact CE2-CD1 3.88Å; F185-F189 HydrophobicContact CE2-CE1 4.21Å; F185-F189 WeakPolarHBondContact O-CB 3.42Å; F185-F189 PolarHBondContact O-N 3.3Å; F185-V190 HydrophobicContact CD1-CG2 4.45Å; F185-V190 HydrophobicContact CE1-CG2 4.1Å; F185-V190 HydrophobicContact CZ-CG2 4.17Å; F185-V190 WeakPolarHBondContact O-CG2 3.24Å; F185-V190 PolarHBondContact O-N 2.83Å
186W98.3Very high97.8Very high146 Ų14652.3 Ų52.355%0.55327%0.266SS*.Iπ-helixtrans-74.8-39-172.2-70.7111.7000113.9G180 H181 P182 V190 F191G180-W186 PolarHBondContact O-NE1 2.89Å; H181-W186 PolarHBondContact O-N 2.87Å; H181-W186 VanDerWaalsContact O-N 3.14Å; P182-W186 WeakPolarHBondContact O-CB 3.32Å; W186-V190 HydrophobicContact CE3-CB 4.17Å; W186-V190 HydrophobicContact CE3-CG1 4.26Å; W186-V190 HydrophobicContact CE3-CG2 3.95Å; W186-V190 HydrophobicContact CZ3-CG1 4.43Å; W186-V190 HydrophobicContact CZ3-CG2 4.22Å; W186-V190 WeakPolarHBondContact O-CB 3.22Å; W186-F191 WeakPolarHBondContact O-CB 3.44Å; W186-F191 PolarHBondContact O-N 3.47Å
187F97.7Very high97.8Very high72 Ų7254.8 Ų54.832%0.31628%0.28SS..Iπ-helixtrans-87.5-56-178.1-177-107.4000112.3P182 L183 F191 M192P182-F187 PolarHBondContact O-N 2.92Å; L183-F187 HydrophobicContact CD1-CB 4.28Å; L183-F187 HydrophobicContact CD1-CD1 3.76Å; L183-F187 HydrophobicContact CD1-CG 4.37Å; L183-F187 CarbonylContact O-C 3.46Å; L183-F187 WeakPolarHBondContact O-CA 3.46Å; L183-F187 WeakPolarHBondContact O-CB 3.18Å; L183-F187 PolarHBondContact O-N 3.36Å; F187-F191 HydrophobicContact CD2-CB 4.37Å; F187-F191 AromaticContact CD2-CD1 3.6Å; F187-F191 HydrophobicContact CD2-CD1 3.6Å; F187-F191 HydrophobicContact CD2-CE1 4.26Å; F187-F191 HydrophobicContact CD2-CG 4.24Å; F187-F191 AromaticContact CE2-CD1 3.46Å; F187-F191 HydrophobicContact CE2-CD1 3.46Å; F187-F191 VanDerWaalsContact CE2-CD1 3.46Å; F187-F191 AromaticContact CE2-CE1 3.69Å; F187-F191 HydrophobicContact CE2-CE1 3.69Å; F187-F191 HydrophobicContact CE2-CG 4.47Å; F187-F191 HydrophobicContact CZ-CD1 4.41Å; F187-F191 WeakPolarHBondContact O-CB 3.36Å; F187-F191 PolarHBondContact O-N 3.05Å; F187-M192 HydrophobicContact CZ-SD 4.15Å; F187-M192 WeakPolarHBondContact O-CG 3.29Å; F187-M192 PolarHBondContact O-N 3.17Å
188Y97.8Very high97.9Very high7 Ų758.8 Ų58.83%0.02730%0.303CS..Iπ-helixtrans-71-57.5-178.9-70.74.8000111.8E103 Y104 L183 Y184 M192 N193E103-Y188 HydrophobicContact CG-CE2 4.08Å; E103-Y188 WeakPolarHBondContact OE1-CE2 3.46Å; E103-Y188 PolarHBondContact OE1-OH 3.27Å; Y104-Y188 HydrophobicContact CD2-CD2 4.3Å; Y104-Y188 HydrophobicContact CD2-CG 4.41Å; L183-Y188 HydrophobicContact CD1-CD1 4.45Å; L183-Y188 HydrophobicContact CD1-CE1 3.97Å; L183-Y188 HydrophobicContact CG-CE1 4.29Å; L183-Y188 PolarHBondContact O-N 3.04Å; Y184-Y188 AromaticContact CD1-CD2 3.93Å; Y184-Y188 HydrophobicContact CD1-CD2 3.93Å; Y184-Y188 AromaticContact CD1-CE2 3.9Å; Y184-Y188 HydrophobicContact CD1-CE2 3.9Å; Y184-Y188 HydrophobicContact CE1-CE2 4.1Å; Y184-Y188 WeakPolarHBondContact O-CB 3.23Å; Y188-M192 WeakPolarHBondContact O-CB 3.47Å; Y188-N193 PolarHBondContact O-ND2 2.95Å
189F98.5Very high98Very high4 Ų458.1 Ų58.12%0.01830%0.302CS..Iπ-helixtrans-72.2-50.2-174.6177.6-94.9000112.5D108 Y165 F166 E169 F174 Y184 F185 N193D108-F189 HydrophobicContact CB-CD2 4.23Å; Y165-F189 HydrophobicContact CD1-CE2 4.44Å; Y165-F189 AromaticContact CE1-CD2 3.89Å; Y165-F189 HydrophobicContact CE1-CD2 3.89Å; Y165-F189 AromaticContact CE1-CE2 3.54Å; Y165-F189 HydrophobicContact CE1-CE2 3.54Å; Y165-F189 HydrophobicContact CE1-CZ 4.21Å; Y165-F189 AromaticContact CZ-CD2 3.87Å; Y165-F189 AromaticContact CZ-CE2 3.68Å; Y165-F189 WeakPolarHBondContact OH-CD2 3.34Å; Y165-F189 WeakPolarHBondContact OH-CE2 3.29Å; F166-F189 AromaticContact CD1-CE1 3.67Å; F166-F189 HydrophobicContact CD1-CE1 3.67Å; F166-F189 AromaticContact CD1-CZ 3.7Å; F166-F189 HydrophobicContact CD1-CZ 3.7Å; F166-F189 HydrophobicContact CE1-CD1 4.13Å; F166-F189 AromaticContact CE1-CE1 3.68Å; F166-F189 HydrophobicContact CE1-CE1 3.68Å; F166-F189 HydrophobicContact CE1-CZ 4Å; E169-F189 HydrophobicContact CB-CE2 3.98Å; E169-F189 HydrophobicContact CB-CZ 3.73Å; E169-F189 HydrophobicContact CG-CE2 3.83Å; E169-F189 HydrophobicContact CG-CZ 3.68Å; F174-F189 HydrophobicContact CD1-CE1 4.12Å; F174-F189 HydrophobicContact CD1-CZ 4.35Å; F174-F189 AromaticContact CE1-CE1 3.82Å; F174-F189 HydrophobicContact CE1-CE1 3.82Å; F174-F189 HydrophobicContact CE1-CZ 4.15Å; Y184-F189 PolarHBondContact O-N 3.29Å; F185-F189 HydrophobicContact CD2-CD1 4.08Å; F185-F189 AromaticContact CE2-CD1 3.88Å; F185-F189 HydrophobicContact CE2-CD1 3.88Å; F185-F189 HydrophobicContact CE2-CE1 4.21Å; F185-F189 WeakPolarHBondContact O-CB 3.42Å; F185-F189 PolarHBondContact O-N 3.3Å; F189-N193 WeakPolarHBondContact O-CB 3.22Å; F189-N193 PolarHBondContact O-ND2 3.44Å
190V98.4Very high98.1Very high39 Ų3952.9 Ų52.924%0.23627%0.274CS..Iπ-helixtrans-82.1-62.5-175.9179.20000112.6F185 W186 A194F185-V190 HydrophobicContact CD1-CG2 4.45Å; F185-V190 HydrophobicContact CE1-CG2 4.1Å; F185-V190 HydrophobicContact CZ-CG2 4.17Å; F185-V190 WeakPolarHBondContact O-CG2 3.24Å; F185-V190 PolarHBondContact O-N 2.83Å; W186-V190 HydrophobicContact CE3-CB 4.17Å; W186-V190 HydrophobicContact CE3-CG1 4.26Å; W186-V190 HydrophobicContact CE3-CG2 3.95Å; W186-V190 HydrophobicContact CZ3-CG1 4.43Å; W186-V190 HydrophobicContact CZ3-CG2 4.22Å; W186-V190 WeakPolarHBondContact O-CB 3.22Å; V190-A194 WeakPolarHBondContact O-CB 3.28Å; V190-A194 PolarHBondContact O-N 3.15Å
191F98.3Very high98.1Very high105 Ų10552.3 Ų52.346%0.46127%0.269SS..Iπ-helixtrans-66.8-48.4-168.6169.6-98.5000113.2W186 F187 A194 L195W186-F191 WeakPolarHBondContact O-CB 3.44Å; W186-F191 PolarHBondContact O-N 3.47Å; F187-F191 HydrophobicContact CD2-CB 4.37Å; F187-F191 AromaticContact CD2-CD1 3.6Å; F187-F191 HydrophobicContact CD2-CD1 3.6Å; F187-F191 HydrophobicContact CD2-CE1 4.26Å; F187-F191 HydrophobicContact CD2-CG 4.24Å; F187-F191 AromaticContact CE2-CD1 3.46Å; F187-F191 HydrophobicContact CE2-CD1 3.46Å; F187-F191 VanDerWaalsContact CE2-CD1 3.46Å; F187-F191 AromaticContact CE2-CE1 3.69Å; F187-F191 HydrophobicContact CE2-CE1 3.69Å; F187-F191 HydrophobicContact CE2-CG 4.47Å; F187-F191 HydrophobicContact CZ-CD1 4.41Å; F187-F191 WeakPolarHBondContact O-CB 3.36Å; F187-F191 PolarHBondContact O-N 3.05Å; F191-A194 PolarHBondContact O-N 3.36Å; F191-L195 HydrophobicContact CZ-CD2 4.39Å; F191-L195 PolarHBondContact O-N 3.39Å
192M97.2Very high98.2Very high44 Ų4454.4 Ų54.422%0.21729%0.285CS..Iπ-helixtrans-61.7-47.2-178-69.7-65.8-61.300111.1F187 Y188 L195 W196F187-M192 HydrophobicContact CZ-SD 4.15Å; F187-M192 WeakPolarHBondContact O-CG 3.29Å; F187-M192 PolarHBondContact O-N 3.17Å; Y188-M192 WeakPolarHBondContact O-CB 3.47Å; M192-L195 VanDerWaalsContact O-CB 3.3Å; M192-L195 WeakPolarHBondContact O-CB 3.28Å; M192-L195 WeakPolarHBondContact O-CG 3.39Å; M192-L195 PolarHBondContact O-N 2.78Å; M192-W196 VanDerWaalsContact O-CZ3 3.25Å; M192-W196 WeakPolarHBondContact O-CZ3 3.24Å
193N98.5Very high98.2Very high15 Ų1550 Ų508%0.0826%0.256CS..Hα-helixtrans-68.1-35.9178.5-65.8-69.6000112.5Y104 Y165 F166 Y188 F189 L195 W196Y104-N193 PolarHBondContact OH-ND2 2.68Å; Y104-N193 PolarHBondContact OH-OD1 3.31Å; Y104-N193 VanDerWaalsContact OH-OD1 3.1Å; Y165-N193 HydrophobicContact CD1-CB 4.25Å; Y165-N193 HydrophobicContact CE1-CB 3.96Å; Y165-N193 VanDerWaalsContact CE1-CG 3.43Å; Y165-N193 WeakPolarHBondContact CE1-ND2 3.46Å; F166-N193 HydrophobicContact CE1-CB 4.48Å; F166-N193 HydrophobicContact CE2-CB 3.85Å; F166-N193 HydrophobicContact CZ-CB 3.59Å; Y188-N193 PolarHBondContact O-ND2 2.95Å; F189-N193 WeakPolarHBondContact O-CB 3.22Å; F189-N193 PolarHBondContact O-ND2 3.44Å; N193-L195 PolarHBondContact O-N 3.16Å; N193-W196 WeakPolarHBondContact O-CA 3.45Å; N193-W196 WeakPolarHBondContact O-CB 3.36Å; N193-W196 PolarHBondContact O-N 3.23Å
194A98.3Very high98.3Very high29 Ų2948.1 Ų48.124%0.2425%0.247CC..Hα-helixtrans-58.5-19.4175.400000114V190 F191 W196 L197 V198V190-A194 WeakPolarHBondContact O-CB 3.28Å; V190-A194 PolarHBondContact O-N 3.15Å; F191-A194 PolarHBondContact O-N 3.36Å; A194-W196 VanDerWaalsContact C-N 3.28Å; A194-W196 PolarHBondContact O-N 3.11Å; A194-L197 PolarHBondContact O-N 3.43Å; A194-L197 VanDerWaalsContact O-N 3.16Å; A194-V198 WeakPolarHBondContact O-CG2 3.18Å; A194-V198 PolarHBondContact O-N 3.16Å
195L98.1Very high98.4Very high53 Ų5351.7 Ų51.728%0.27727%0.269SS..Hα-helixtrans-62.3-35.5170.6-60.6177.1000112.2W68 F191 M192 N193 L197 L199 P200W68-L195 HydrophobicContact CH2-CB 4.37Å; F191-L195 HydrophobicContact CZ-CD2 4.39Å; F191-L195 PolarHBondContact O-N 3.39Å; M192-L195 VanDerWaalsContact O-CB 3.3Å; M192-L195 WeakPolarHBondContact O-CB 3.28Å; M192-L195 WeakPolarHBondContact O-CG 3.39Å; M192-L195 PolarHBondContact O-N 2.78Å; N193-L195 PolarHBondContact O-N 3.16Å; L195-L197 PolarHBondContact O-N 3.12Å; L195-L199 HydrophobicContact CB-CD1 4.45Å; L195-L199 WeakPolarHBondContact O-CB 3.47Å; L195-L199 PolarHBondContact O-N 2.9Å; L195-L199 VanDerWaalsContact O-N 3.09Å; L195-P200 VanDerWaalsContact O-CD 3.24Å; L195-P200 WeakPolarHBondContact O-CD 3.04Å
196W98.3Very high98.4Very high33 Ų3352.7 Ų52.713%0.12528%0.275CS..Hα-helixtrans-73.5-10.5174.9-81.3-106.5000113.4W68 I75 H76 D162 M192 N193 A194 P200W68-W196 HydrophobicContact CH2-CD2 4.17Å; W68-W196 HydrophobicContact CH2-CE3 4.43Å; W68-W196 HydrophobicContact CH2-CG 4.47Å; I75-W196 HydrophobicContact CD1-CH2 3.62Å; I75-W196 HydrophobicContact CD1-CZ2 3.57Å; I75-W196 HydrophobicContact CG2-CZ2 4.18Å; H76-W196 AromaticContact CE1-NE1 3.68Å; D162-W196 HydrophobicContact CB-CB 4.17Å; M192-W196 VanDerWaalsContact O-CZ3 3.25Å; M192-W196 WeakPolarHBondContact O-CZ3 3.24Å; N193-W196 WeakPolarHBondContact O-CA 3.45Å; N193-W196 WeakPolarHBondContact O-CB 3.36Å; N193-W196 PolarHBondContact O-N 3.23Å; A194-W196 VanDerWaalsContact C-N 3.28Å; A194-W196 PolarHBondContact O-N 3.11Å; W196-P200 WeakPolarHBondContact O-CD 3.2Å; W196-P200 WeakPolarHBondContact O-CG 3.44Å
197L98.3Very high98.4Very high74 Ų7445.8 Ų45.839%0.38725%0.249SC..Hα-helixtrans-91.8-53.4167.4-173.759.2000111.6I159 D162 V163 A194 L195 G201I159-L197 HydrophobicContact CB-CD1 4.44Å; I159-L197 HydrophobicContact CG1-CD1 4.33Å; I159-L197 HydrophobicContact CG2-CD1 3.73Å; D162-L197 WeakPolarHBondContact OD2-CB 3.33Å; V163-L197 HydrophobicContact CG2-CD1 4.34Å; A194-L197 PolarHBondContact O-N 3.43Å; A194-L197 VanDerWaalsContact O-N 3.16Å; L195-L197 PolarHBondContact O-N 3.12Å; L197-G201 PolarHBondContact O-N 3.27Å
198V98.4Very high98.4Very high91 Ų9145.3 Ų45.355%0.55225%0.252SS*.Hα-helixtrans-71.3-49.7-168.6175.60000111.9A194 G201 V202A194-V198 WeakPolarHBondContact O-CG2 3.18Å; A194-V198 PolarHBondContact O-N 3.16Å; V198-G201 PolarHBondContact O-N 2.87Å; V198-V202 PolarHBondContact O-N 3.32Å; V198-V202 VanDerWaalsContact O-N 3.12Å
199L98.6Very high98.5Very high70 Ų7052.2 Ų52.237%0.36628%0.282SS..Hα-helixtrans-69.4-47-175.5-64172.3000111.4W68 L195 G201 V202 L203W68-L199 HydrophobicContact CD2-CB 4.25Å; W68-L199 HydrophobicContact CD2-CD1 4.04Å; W68-L199 HydrophobicContact CE3-CB 4.44Å; W68-L199 HydrophobicContact CE3-CD1 3.44Å; W68-L199 VanDerWaalsContact CE3-CD1 3.44Å; W68-L199 HydrophobicContact CH2-CB 4.32Å; W68-L199 HydrophobicContact CH2-CD1 3.89Å; W68-L199 HydrophobicContact CZ2-CB 4.12Å; W68-L199 HydrophobicContact CZ2-CD1 4.44Å; W68-L199 HydrophobicContact CZ3-CB 4.48Å; W68-L199 HydrophobicContact CZ3-CD1 3.36Å; L195-L199 HydrophobicContact CB-CD1 4.45Å; L195-L199 WeakPolarHBondContact O-CB 3.47Å; L195-L199 PolarHBondContact O-N 2.9Å; L195-L199 VanDerWaalsContact O-N 3.09Å; L199-G201 VanDerWaalsContact C-N 3.28Å; L199-G201 PolarHBondContact O-N 3.34Å; L199-V202 PolarHBondContact O-N 3.04Å; L199-L203 WeakPolarHBondContact O-CG 3.14Å; L199-L203 PolarHBondContact O-N 2.9Å; L199-L203 VanDerWaalsContact O-N 3.07Å
200P98.7Very high98.5Very high0 Ų055.7 Ų55.70%030%0.298CS..Hα-helixtrans-56.8-37.7169.2-34.245.3000113.6W68 S155 Q158 I159 L195 W196 V202 L203 V204W68-P200 HydrophobicContact CZ2-CG 3.92Å; S155-P200 WeakPolarHBondContact O-CB 3.46Å; Q158-P200 HydrophobicContact CB-CB 4.35Å; Q158-P200 HydrophobicContact CB-CG 4Å; I159-P200 HydrophobicContact CD1-CB 4.05Å; I159-P200 HydrophobicContact CG1-CB 3.7Å; L195-P200 VanDerWaalsContact O-CD 3.24Å; L195-P200 WeakPolarHBondContact O-CD 3.04Å; W196-P200 WeakPolarHBondContact O-CD 3.2Å; W196-P200 WeakPolarHBondContact O-CG 3.44Å; P200-V202 VanDerWaalsContact C-N 3.35Å; P200-V202 PolarHBondContact O-N 3.5Å; P200-L203 CarbonylContact O-C 3.58Å; P200-L203 PolarHBondContact O-N 2.97Å; P200-L203 VanDerWaalsContact O-N 3.1Å; P200-V204 WeakPolarHBondContact O-CG2 3.42Å; P200-V204 PolarHBondContact O-N 3.03Å
201G98.7Very high98.5Very high23 Ų2356.1 Ų56.124%0.23730%0.299CS..Hα-helixtrans-57.9-44.9175.600000112.9L197 V198 L199 L203 V204 L205L197-G201 PolarHBondContact O-N 3.27Å; V198-G201 PolarHBondContact O-N 2.87Å; L199-G201 VanDerWaalsContact C-N 3.28Å; L199-G201 PolarHBondContact O-N 3.34Å; G201-L203 VanDerWaalsContact C-N 3.34Å; G201-L203 PolarHBondContact O-N 3.18Å; G201-V204 PolarHBondContact O-N 2.81Å; G201-L205 WeakPolarHBondContact O-CG 3.16Å; G201-L205 PolarHBondContact O-N 2.74Å
202V98.7Very high98.5Very high94 Ų9454.8 Ų54.857%0.5730%0.3SS*.Hα-helixtrans-63.3-40.6174.3175.30000111.3V198 L199 P200 L205 D206V198-V202 PolarHBondContact O-N 3.32Å; V198-V202 VanDerWaalsContact O-N 3.12Å; L199-V202 PolarHBondContact O-N 3.04Å; P200-V202 VanDerWaalsContact C-N 3.35Å; P200-V202 PolarHBondContact O-N 3.5Å; V202-L205 PolarHBondContact O-N 3.35Å; V202-D206 PolarHBondContact O-N 2.86Å
203L98.8Very high98.5Very high10 Ų1058.7 Ų58.75%0.05232%0.317CS..Hα-helixtrans-69.9-32.1179.6-66.6169.1000113S65 W68 F69 Q151 S155 L199 P200 G201 A207S65-L203 WeakPolarHBondContact OG-CD2 3.47Å; W68-L203 HydrophobicContact CG-CD1 4.28Å; F69-L203 HydrophobicContact CE2-CD1 3.82Å; F69-L203 HydrophobicContact CE2-CD2 4.38Å; F69-L203 HydrophobicContact CZ-CD1 3.8Å; Q151-L203 HydrophobicContact CG-CB 4.14Å; Q151-L203 PolarHBondContact NE2-O 3.21Å; S155-L203 WeakPolarHBondContact OG-CB 3.36Å; L199-L203 WeakPolarHBondContact O-CG 3.14Å; L199-L203 PolarHBondContact O-N 2.9Å; L199-L203 VanDerWaalsContact O-N 3.07Å; P200-L203 CarbonylContact O-C 3.58Å; P200-L203 PolarHBondContact O-N 2.97Å; P200-L203 VanDerWaalsContact O-N 3.1Å; G201-L203 VanDerWaalsContact C-N 3.34Å; G201-L203 PolarHBondContact O-N 3.18Å; L203-A207 WeakPolarHBondContact O-CB 3.43Å; L203-A207 PolarHBondContact O-N 2.75Å
204V98.9Very high98.5Very high28 Ų2860.8 Ų60.817%0.1734%0.336CS..Hα-helixtrans-61.5-50.5170.5167.40000109.8L152 V156 I159 P200 G201 D206 A207 V208L152-V204 HydrophobicContact CD1-CB 4.33Å; L152-V204 HydrophobicContact CD1-CG1 3.87Å; L152-V204 HydrophobicContact CD1-CG2 4.24Å; V156-V204 HydrophobicContact CG2-CG2 3.79Å; I159-V204 HydrophobicContact CD1-CG2 3.97Å; P200-V204 WeakPolarHBondContact O-CG2 3.42Å; P200-V204 PolarHBondContact O-N 3.03Å; G201-V204 PolarHBondContact O-N 2.81Å; V204-D206 VanDerWaalsContact C-N 3.34Å; V204-D206 PolarHBondContact O-N 3.18Å; V204-A207 PolarHBondContact O-N 3.43Å; V204-V208 HydrophobicContact CG1-CG2 4.28Å; V204-V208 WeakPolarHBondContact O-CB 3.34Å; V204-V208 VanDerWaalsContact O-CG2 3.3Å; V204-V208 WeakPolarHBondContact O-CG2 3.4Å; V204-V208 PolarHBondContact O-N 2.9Å
205L98.7Very high98.4Very high127 Ų12764 Ų6467%0.66535%0.346SS*.Hα-helixtrans-61.1-41.6179.2-65.7175.9000112.1G201 V202 K209G201-L205 WeakPolarHBondContact O-CG 3.16Å; G201-L205 PolarHBondContact O-N 2.74Å; V202-L205 PolarHBondContact O-N 3.35Å; L205-K209 WeakPolarHBondContact O-CB 3.28Å; L205-K209 PolarHBondContact O-N 3.45Å
206D98.6Very high98.4Very high43 Ų4365.1 Ų65.123%0.2336%0.359CS..Hα-helixtrans-59.3-48.9173.8175.870000111.7R62 Q151 V202 V204 K209 H210R62-D206 IonicContact CZ-OD2 3.71Å; R62-D206 VanDerWaalsContact CZ-OD2 3.3Å; R62-D206 IonicContact NH1-OD2 2.79Å; R62-D206 PolarHBondContact NH1-OD2 2.82Å; R62-D206 IonicContact NH2-OD1 3.3Å; R62-D206 PolarHBondContact NH2-OD1 3.22Å; R62-D206 IonicContact NH2-OD2 3.49Å; R62-D206 PolarHBondContact NH2-OD2 2.95Å; Q151-D206 PolarHBondContact NE2-OD2 3.22Å; V202-D206 PolarHBondContact O-N 2.86Å; V204-D206 VanDerWaalsContact C-N 3.34Å; V204-D206 PolarHBondContact O-N 3.18Å; D206-K209 PolarHBondContact O-N 2.85Å; D206-H210 PolarHBondContact O-CD2 3.43Å; D206-H210 PolarHBondContact O-N 3.08Å; D206-H210 VanDerWaalsContact O-N 3.09Å; D206-H210 IonicContact OD1-CD2 2.85Å; D206-H210 PolarHBondContact OD1-CD2 3.02Å; D206-H210 IonicContact OD1-NE2 3.69Å
207A98.7Very high98.4Very high0 Ų066.1 Ų66.10%037%0.368CS..Hα-helixtrans-63.7-46.6-179.700000111.7Q151 L152 L203 V204 K209 H210 L211Q151-A207 HydrophobicContact CG-CB 4.3Å; L152-A207 HydrophobicContact CB-CB 3.89Å; L152-A207 HydrophobicContact CD1-CB 4.37Å; L203-A207 WeakPolarHBondContact O-CB 3.43Å; L203-A207 PolarHBondContact O-N 2.75Å; V204-A207 PolarHBondContact O-N 3.43Å; A207-K209 VanDerWaalsContact C-N 3.34Å; A207-K209 PolarHBondContact O-N 3.02Å; A207-H210 PolarHBondContact O-N 2.51Å; A207-L211 WeakPolarHBondContact O-CB 3.41Å; A207-L211 WeakPolarHBondContact O-CG 3.43Å; A207-L211 PolarHBondContact O-N 3.4Å
208V98.7Very high98.3Very high63 Ų6367.6 Ų67.638%0.38238%0.376SS..Hα-helixtrans-59-45.4177.9170.20000110.8L152 V204 H210 L211 T212L152-V208 HydrophobicContact CD1-CG2 4.06Å; V204-V208 HydrophobicContact CG1-CG2 4.28Å; V204-V208 WeakPolarHBondContact O-CB 3.34Å; V204-V208 VanDerWaalsContact O-CG2 3.3Å; V204-V208 WeakPolarHBondContact O-CG2 3.4Å; V204-V208 PolarHBondContact O-N 2.9Å; V208-H210 VanDerWaalsContact C-N 3.32Å; V208-H210 PolarHBondContact O-N 2.91Å; V208-L211 PolarHBondContact O-N 2.87Å; V208-T212 HydrophobicContact CG1-CG2 4.12Å; V208-T212 WeakPolarHBondContact O-CB 3.26Å; V208-T212 VanDerWaalsContact O-CG2 3.26Å; V208-T212 WeakPolarHBondContact O-CG2 3.42Å; V208-T212 PolarHBondContact O-N 3.09Å; V208-T212 PolarHBondContact O-OG1 3.14Å
209K98.5Very high98.3Very high151 Ų15167 Ų6766%0.65737%0.37SS*.Hα-helixtrans-58.5-43.8176.9-178.6179.3178.5178.50112L205 D206 A207 T212 H213L205-K209 WeakPolarHBondContact O-CB 3.28Å; L205-K209 PolarHBondContact O-N 3.45Å; D206-K209 PolarHBondContact O-N 2.85Å; A207-K209 VanDerWaalsContact C-N 3.34Å; A207-K209 PolarHBondContact O-N 3.02Å; K209-T212 PolarHBondContact O-OG1 3.16Å; K209-T212 VanDerWaalsContact O-OG1 3.11Å; K209-H213 VanDerWaalsContact O-CB 3.24Å; K209-H213 WeakPolarHBondContact O-CB 3.4Å; K209-H213 PolarHBondContact O-N 3.39Å; K209-H213 VanDerWaalsContact O-N 3.12Å
210H98.1Very high98.1Very high77 Ų7766 Ų6636%0.35637%0.372SS..Hα-helixtrans-69.4-43.1179.5-87.5-72.4000113F148 D206 A207 V208 A214F148-H210 HydrophobicContact CD1-CB 3.76Å; F148-H210 HydrophobicContact CD2-CB 4.07Å; F148-H210 HydrophobicContact CE1-CB 3.66Å; F148-H210 AromaticContact CE1-CD2 3.27Å; F148-H210 WeakPolarHBondContact CE1-CD2 3.3Å; F148-H210 AromaticContact CE1-CG 3.43Å; F148-H210 VanDerWaalsContact CE1-CG 3.43Å; F148-H210 AromaticContact CE1-NE2 3.94Å; F148-H210 HydrophobicContact CE2-CB 3.99Å; F148-H210 AromaticContact CE2-CG 3.93Å; F148-H210 HydrophobicContact CG-CB 3.96Å; F148-H210 HydrophobicContact CZ-CB 3.78Å; F148-H210 AromaticContact CZ-CD2 3.49Å; F148-H210 VanDerWaalsContact CZ-CD2 3.49Å; F148-H210 WeakPolarHBondContact CZ-CD2 3.45Å; F148-H210 AromaticContact CZ-CE1 3.86Å; F148-H210 AromaticContact CZ-CG 3.35Å; F148-H210 AromaticContact CZ-ND1 3.6Å; F148-H210 AromaticContact CZ-NE2 3.8Å; D206-H210 PolarHBondContact O-CD2 3.43Å; D206-H210 PolarHBondContact O-N 3.08Å; D206-H210 VanDerWaalsContact O-N 3.09Å; D206-H210 IonicContact OD1-CD2 2.85Å; D206-H210 PolarHBondContact OD1-CD2 3.02Å; D206-H210 IonicContact OD1-NE2 3.69Å; A207-H210 PolarHBondContact O-N 2.51Å; V208-H210 VanDerWaalsContact C-N 3.32Å; V208-H210 PolarHBondContact O-N 2.91Å; H210-A214 WeakPolarHBondContact O-CB 3.42Å; H210-A214 PolarHBondContact O-N 3.12Å
211L98.4Very high97.9Very high49 Ų4972.6 Ų72.626%0.25740%0.4SS..Hα-helixtrans-66.3-46-179.8-69.2168000111.5F148 I149 L152 A207 V208 A214 Q215F148-L211 HydrophobicContact CB-CD1 4.49Å; F148-L211 HydrophobicContact CB-CD2 3.93Å; F148-L211 HydrophobicContact CB-CG 4.02Å; I149-L211 HydrophobicContact CD1-CD1 3.82Å; I149-L211 HydrophobicContact CD1-CD2 3.6Å; I149-L211 HydrophobicContact CD1-CG 4.37Å; I149-L211 HydrophobicContact CG1-CD2 4.13Å; L152-L211 HydrophobicContact CD2-CD1 3.88Å; A207-L211 WeakPolarHBondContact O-CB 3.41Å; A207-L211 WeakPolarHBondContact O-CG 3.43Å; A207-L211 PolarHBondContact O-N 3.4Å; V208-L211 PolarHBondContact O-N 2.87Å; L211-A214 PolarHBondContact O-N 3.21Å; L211-Q215 PolarHBondContact O-N 3.47Å
212T98.5Very high97.7Very high77 Ų7773.8 Ų73.847%0.47241%0.408SS..Hα-helixtrans-63.3-45.4177.452.50000111.8V208 K209 A214 Q215 S216V208-T212 HydrophobicContact CG1-CG2 4.12Å; V208-T212 WeakPolarHBondContact O-CB 3.26Å; V208-T212 VanDerWaalsContact O-CG2 3.26Å; V208-T212 WeakPolarHBondContact O-CG2 3.42Å; V208-T212 PolarHBondContact O-N 3.09Å; V208-T212 PolarHBondContact O-OG1 3.14Å; K209-T212 PolarHBondContact O-OG1 3.16Å; K209-T212 VanDerWaalsContact O-OG1 3.11Å; T212-A214 VanDerWaalsContact C-N 3.33Å; T212-A214 PolarHBondContact O-N 2.78Å; T212-Q215 PolarHBondContact O-N 3.17Å; T212-S216 PolarHBondContact O-N 2.78Å; T212-S216 PolarHBondContact O-OG 3.42Å; T212-S216 VanDerWaalsContact O-OG 3.1Å
213H98.2Very high97.4Very high126 Ų12674 Ų7458%0.58341%0.409SS*.Hα-helixtrans-60.5-41175.9177-90.6000112.7K209 S216 T217K209-H213 VanDerWaalsContact O-CB 3.24Å; K209-H213 WeakPolarHBondContact O-CB 3.4Å; K209-H213 PolarHBondContact O-N 3.39Å; K209-H213 VanDerWaalsContact O-N 3.12Å; H213-S216 PolarHBondContact O-N 3.17Å; H213-T217 WeakPolarHBondContact O-CB 3.44Å; H213-T217 PolarHBondContact O-N 3.08Å; H213-T217 PolarHBondContact O-OG1 2.95Å
214A97.4Very high97Very high58 Ų5880.6 Ų80.648%0.47944%0.438SS..Hα-helixtrans-61.8-45.217600000111.4H210 L211 T212 T217 L218H210-A214 WeakPolarHBondContact O-CB 3.42Å; H210-A214 PolarHBondContact O-N 3.12Å; L211-A214 PolarHBondContact O-N 3.21Å; T212-A214 VanDerWaalsContact C-N 3.33Å; T212-A214 PolarHBondContact O-N 2.78Å; A214-T217 PolarHBondContact O-N 3.25Å; A214-L218 PolarHBondContact O-N 3.48Å; A214-L218 VanDerWaalsContact O-N 3.08Å
215Q98Very high96.4Very high98 Ų9881.8 Ų81.846%0.45845%0.451SS..Hα-helixtrans-61.8-49.2176.7-1745950.800111.6L211 T212 T217 L218 D219L211-Q215 PolarHBondContact O-N 3.47Å; T212-Q215 PolarHBondContact O-N 3.17Å; Q215-T217 VanDerWaalsContact C-N 3.25Å; Q215-T217 PolarHBondContact O-N 3.37Å; Q215-L218 WeakPolarHBondContact O-CB 3.27Å; Q215-L218 PolarHBondContact O-N 3.22Å; Q215-D219 PolarHBondContact NE2-OD1 3.1Å; Q215-D219 PolarHBondContact NE2-OD2 3.2Å; Q215-D219 VanDerWaalsContact O-CG 3.31Å; Q215-D219 PolarHBondContact O-N 3.27Å
216S98.1Very high95.8Very high76 Ų7683.1 Ų83.153%0.53145%0.451SS..Hα-helixtrans-58.9-36.8178-57.10000112.8T212 H213 A220T212-S216 PolarHBondContact O-N 2.78Å; T212-S216 PolarHBondContact O-OG 3.42Å; T212-S216 VanDerWaalsContact O-OG 3.1Å; H213-S216 PolarHBondContact O-N 3.17Å; S216-A220 WeakPolarHBondContact O-CB 3.49Å; S216-A220 PolarHBondContact O-N 2.98Å
217T97.6Very high95.1Very high54 Ų5485.3 Ų85.333%0.33147%0.47SS..Hα-helixtrans-66.7-40.1176.4-600000111.8H213 A214 Q215 K221H213-T217 WeakPolarHBondContact O-CB 3.44Å; H213-T217 PolarHBondContact O-N 3.08Å; H213-T217 PolarHBondContact O-OG1 2.95Å; A214-T217 PolarHBondContact O-N 3.25Å; Q215-T217 VanDerWaalsContact C-N 3.25Å; Q215-T217 PolarHBondContact O-N 3.37Å; T217-K221 WeakPolarHBondContact O-CG 3.44Å; T217-K221 PolarHBondContact O-N 3.08Å
218L96.3Very high94.2Very high105 Ų10594 Ų9455%0.5551%0.507SS..Hα-helixtrans-65.5-46.7177.4-179.161.4000111A214 Q215 A220 K221 A222A214-L218 PolarHBondContact O-N 3.48Å; A214-L218 VanDerWaalsContact O-N 3.08Å; Q215-L218 WeakPolarHBondContact O-CB 3.27Å; Q215-L218 PolarHBondContact O-N 3.22Å; L218-A220 PolarHBondContact O-N 3Å; L218-K221 PolarHBondContact O-N 2.83Å; L218-A222 PolarHBondContact O-N 3.11Å
219D97.2Very high93.1Very high78 Ų7899.8 Ų99.842%0.41753%0.528SS..Hα-helixtrans-61.4-43.7179.6-64.6-25.1000111.5Q215 K221 A222 T223Q215-D219 PolarHBondContact NE2-OD1 3.1Å; Q215-D219 PolarHBondContact NE2-OD2 3.2Å; Q215-D219 VanDerWaalsContact O-CG 3.31Å; Q215-D219 PolarHBondContact O-N 3.27Å; D219-K221 VanDerWaalsContact C-N 3.32Å; D219-K221 PolarHBondContact O-N 3.03Å; D219-A222 PolarHBondContact O-N 2.94Å; D219-T223 PolarHBondContact O-N 3.38Å; D219-T223 PolarHBondContact O-OG1 3.05Å
220A95.9Very high91.5Very high49 Ų49102 Ų10241%0.40555%0.547SS..Hα-helixtrans-62.1-37.1176.900000112.8S216 L218 K224S216-A220 WeakPolarHBondContact O-CB 3.49Å; S216-A220 PolarHBondContact O-N 2.98Å; L218-A220 PolarHBondContact O-N 3Å; A220-K224 WeakPolarHBondContact O-CG 3.32Å; A220-K224 PolarHBondContact O-N 3.12Å; A220-K224 VanDerWaalsContact O-N 3.13Å
221K94.9Very high91.2Very high139 Ų139103.3 Ų103.360%0.60456%0.556SS**Hα-helixtrans-67.7-41.6175.3-74.9176.8-179.2179.90111.5T217 L218 D219 K224 A225T217-K221 WeakPolarHBondContact O-CG 3.44Å; T217-K221 PolarHBondContact O-N 3.08Å; L218-K221 PolarHBondContact O-N 2.83Å; D219-K221 VanDerWaalsContact C-N 3.32Å; D219-K221 PolarHBondContact O-N 3.03Å; K221-K224 PolarHBondContact O-N 3.12Å; K221-A225 WeakPolarHBondContact O-CB 3.36Å; K221-A225 PolarHBondContact O-N 3.33Å
222A92.8Very high90.8Very high48 Ų48106.2 Ų106.240%0.39757%0.572SS.*Hα-helixtrans-62.1-42.7177.200000111.8L218 D219 A225 K226L218-A222 PolarHBondContact O-N 3.11Å; D219-A222 PolarHBondContact O-N 2.94Å; A222-A225 PolarHBondContact O-N 2.91Å; A222-K226 PolarHBondContact O-N 3.14Å; A222-K226 VanDerWaalsContact O-N 3.08Å
223T92.3Very high90.4Very high98 Ų98107.8 Ų107.860%0.60158%0.578SS**Hα-helixtrans-63-45.1176.5-59.60000112.1D219 A225 K226 S227D219-T223 PolarHBondContact O-N 3.38Å; D219-T223 PolarHBondContact O-OG1 3.05Å; T223-A225 VanDerWaalsContact C-N 3.32Å; T223-A225 PolarHBondContact O-N 3.08Å; T223-K226 PolarHBondContact O-N 2.72Å; T223-S227 PolarHBondContact O-N 2.86Å; T223-S227 VanDerWaalsContact O-N 3.08Å
224K90.6Very high89.9Confident148 Ų148106.7 Ų106.764%0.64358%0.577SS**Hα-helixtrans-63-36.9175.8-73.6178-179-1790112.7A220 K221 S227 K228A220-K224 WeakPolarHBondContact O-CG 3.32Å; A220-K224 PolarHBondContact O-N 3.12Å; A220-K224 VanDerWaalsContact O-N 3.13Å; K221-K224 PolarHBondContact O-N 3.12Å; K224-S227 PolarHBondContact O-N 3.23Å; K224-K228 PolarHBondContact O-N 3.28Å
225A87.4Confident89.5Confident54 Ų54109.8 Ų109.845%0.44658%0.583SS.*Hα-helixtrans-67.4-37.4177.600000112.4K221 A222 T223 K228K221-A225 WeakPolarHBondContact O-CB 3.36Å; K221-A225 PolarHBondContact O-N 3.33Å; A222-A225 PolarHBondContact O-N 2.91Å; T223-A225 VanDerWaalsContact C-N 3.32Å; T223-A225 PolarHBondContact O-N 3.08Å; A225-K228 PolarHBondContact O-N 2.78Å
226K84.8Confident88.9Confident155 Ų155110.5 Ų110.567%0.67459%0.592SS**Hα-helixtrans-65.5-43.1173.6-72.2179.8179.3-179.70111.8A222 T223 K228 K229A222-K226 PolarHBondContact O-N 3.14Å; A222-K226 VanDerWaalsContact O-N 3.08Å; T223-K226 PolarHBondContact O-N 2.72Å; K226-K228 PolarHBondContact O-N 2.9Å; K226-K229 PolarHBondContact O-N 3.17Å; K226-K229 VanDerWaalsContact O-N 3.13Å
227S83.8Confident88.3Confident88 Ų88113 Ų11362%0.61560%0.596SS**Hα-helixtrans-63.4-20.9178.8-178.20000114.5T223 K224T223-S227 PolarHBondContact O-N 2.86Å; T223-S227 VanDerWaalsContact O-N 3.08Å; K224-S227 PolarHBondContact O-N 3.23Å
228K80Confident87.5Confident183 Ų183117.5 Ų117.580%0.79662%0.616SS**THydrogen-bonded Turntrans-87.2-11.5177-73.1-174.9176.8-171.50114K224 A225 K226K224-K228 PolarHBondContact O-N 3.28Å; A225-K228 PolarHBondContact O-N 2.78Å; K226-K228 PolarHBondContact O-N 2.9Å
229K76.3Confident86.8Confident185 Ų185118.6 Ų118.680%0.80462%0.622SS**THydrogen-bonded Turntrans-94.6-15.2-179.4-72.2-173.1176.7-172.20113.2K226K226-K229 PolarHBondContact O-N 3.17Å; K226-K229 VanDerWaalsContact O-N 3.13Å
230N65.6Low85.9Confident198 Ų198122.3 Ų122.3100%1.05964%0.64SS**  trans-98.50171.8-63.4-1.1000109.1

Retrieved 230 of 230 residues in 633.4 ms (Link to these results)

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