G4LVE7_SCHMA Loading...

ATP synthase f chain, mitochondrial-related

AlphaFold DB , UniProt , Accession G4LVE7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 108 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
1M47.6Very low77Confident228 Ų228113.1 Ų113.1100%1.12359%0.593SS**  0130.70-64.6-178.1-173.400108.7N3M1-N3 PolarHBondContact O-N 3.21Å; M1-N3 VanDerWaalsContact O-N 3.13Å; M1-N3 PolarHBondContact O-OD1 3.4Å
2M58.4Low78.2Confident141 Ų141109.9 Ų109.970%0.69558%0.577SS**  trans-75.698.3175.6-66.6-142.5-99.400108.7F4M2-F4 HydrophobicContact CB-CD2 3.68Å; M2-F4 HydrophobicContact CB-CE2 3.36Å; M2-F4 HydrophobicContact CB-CZ 4.17Å; M2-F4 HydrophobicContact CE-CE2 4Å; M2-F4 HydrophobicContact CE-CZ 4.31Å; M2-F4 HydrophobicContact CG-CE2 4.07Å; M2-F4 PolarHBondContact O-N 3.15Å; M2-F4 HydrophobicContact SD-CE2 3.63Å; M2-F4 HydrophobicContact SD-CZ 3.7Å
3N65.2Low79.2Confident66 Ų66105.9 Ų105.935%0.35357%0.57SS.*  trans-77.167.6-177.4-73.46.1000110.7M1 L6M1-N3 PolarHBondContact O-N 3.21Å; M1-N3 VanDerWaalsContact O-N 3.13Å; M1-N3 PolarHBondContact O-OD1 3.4Å; N3-L6 HydrophobicContact CB-CB 4.3Å; N3-L6 HydrophobicContact CB-CD1 3.87Å; N3-L6 HydrophobicContact CB-CG 4.46Å
4F71.7Confident80.2Confident146 Ų146114.5 Ų114.564%0.6459%0.59SS**  trans-71.1140.8171.7-67.6-71.7000110.1M2 L6M2-F4 HydrophobicContact CB-CD2 3.68Å; M2-F4 HydrophobicContact CB-CE2 3.36Å; M2-F4 HydrophobicContact CB-CZ 4.17Å; M2-F4 HydrophobicContact CE-CE2 4Å; M2-F4 HydrophobicContact CE-CZ 4.31Å; M2-F4 HydrophobicContact CG-CE2 4.07Å; M2-F4 PolarHBondContact O-N 3.15Å; M2-F4 HydrophobicContact SD-CE2 3.63Å; M2-F4 HydrophobicContact SD-CZ 3.7Å; F4-L6 PolarHBondContact O-N 2.78Å; F4-L6 VanDerWaalsContact O-N 3.12Å
5G76.1Confident81Confident91 Ų91113.5 Ų113.594%0.93859%0.591SS**SBendtrans76.8-15.1178.800000115.9
6L85.5Confident81.6Confident117 Ų117111.2 Ų111.261%0.61358%0.576SS**SBendtrans-79.3152.1175.6-64178.9000111.8N3 F4N3-L6 HydrophobicContact CB-CB 4.3Å; N3-L6 HydrophobicContact CB-CD1 3.87Å; N3-L6 HydrophobicContact CB-CG 4.46Å; F4-L6 PolarHBondContact O-N 2.78Å; F4-L6 VanDerWaalsContact O-N 3.12Å
7L86.7Confident82.2Confident100 Ų100107.1 Ų107.152%0.52457%0.567SS.*PPolyproline II helixtrans-59.7148.3171.9-68.7166.9000110.5Y11 Y19L7-Y11 HydrophobicContact CB-CD1 4.23Å; L7-Y11 HydrophobicContact CD1-CD1 3.91Å; L7-Y11 HydrophobicContact CD1-CE1 3.85Å; L7-Y11 HydrophobicContact CD2-CD1 4.3Å; L7-Y11 HydrophobicContact CD2-CE1 4.42Å; L7-Y11 HydrophobicContact CG-CD1 4.38Å; L7-Y19 HydrophobicContact CD2-CD1 3.8Å; L7-Y19 HydrophobicContact CD2-CD2 3.5Å; L7-Y19 HydrophobicContact CD2-CE1 4.01Å; L7-Y19 HydrophobicContact CD2-CE2 3.73Å; L7-Y19 HydrophobicContact CD2-CG 3.53Å
8P87.4Confident82.8Confident38 Ų38108.6 Ų108.625%0.24758%0.581CS.*PPolyproline II helixtrans-55.2144174-21.932.5000110.9E10 Y11 Y19 Y25P8-E10 PolarHBondContact O-N 3.01Å; P8-Y11 WeakPolarHBondContact O-CB 3.39Å; P8-Y11 PolarHBondContact O-N 3.49Å; P8-Y19 HydrophobicContact CG-CE2 4.02Å; P8-Y25 HydrophobicContact CG-CD2 4.43Å
9K87.3Confident83.3Confident179 Ų179107.5 Ų107.578%0.77857%0.568SS**THydrogen-bonded Turntrans-63.6-28-179.2-66.3-177.1177.8-175.80112.2Y11K9-Y11 VanDerWaalsContact C-N 3.27Å
10E88.9Confident83.8Confident98 Ų98106.1 Ų106.146%0.45856%0.557SS.*THydrogen-bonded Turntrans-79.7-11.3-179.7-53.276.3-166.700112.2P8 N12P8-E10 PolarHBondContact O-N 3.01Å; E10-N12 PolarHBondContact O-N 2.96Å
11Y92Very high84.2Confident40 Ų40102.1 Ų102.116%0.15754%0.538CS..  trans-78.8117.9179.6171.8-101.4000111.1L7 P8 K9 A13 H16 G17 Y19 Y25L7-Y11 HydrophobicContact CB-CD1 4.23Å; L7-Y11 HydrophobicContact CD1-CD1 3.91Å; L7-Y11 HydrophobicContact CD1-CE1 3.85Å; L7-Y11 HydrophobicContact CD2-CD1 4.3Å; L7-Y11 HydrophobicContact CD2-CE1 4.42Å; L7-Y11 HydrophobicContact CG-CD1 4.38Å; P8-Y11 WeakPolarHBondContact O-CB 3.39Å; P8-Y11 PolarHBondContact O-N 3.49Å; K9-Y11 VanDerWaalsContact C-N 3.27Å; Y11-A13 HydrophobicContact CE1-CB 4.03Å; Y11-H16 HydrophobicContact CD2-CB 4.19Å; Y11-H16 HydrophobicContact CE2-CB 3.98Å; Y11-G17 PolarHBondContact OH-O 3.46Å; Y11-Y19 HydrophobicContact CD1-CD2 4.4Å; Y11-Y19 AromaticContact CD2-CD2 3.8Å; Y11-Y19 HydrophobicContact CD2-CD2 3.8Å; Y11-Y19 HydrophobicContact CE1-CD2 4.47Å; Y11-Y19 AromaticContact CE2-CD2 3.87Å; Y11-Y19 HydrophobicContact CE2-CD2 3.87Å; Y11-Y19 HydrophobicContact CE2-CG 4.46Å; Y11-Y19 HydrophobicContact CG-CD2 4.05Å; Y11-Y19 PolarHBondContact OH-N 3.28Å; Y11-Y25 HydrophobicContact CD2-CD1 4.1Å; Y11-Y25 HydrophobicContact CD2-CD2 4.13Å; Y11-Y25 AromaticContact CD2-CE1 3.84Å; Y11-Y25 HydrophobicContact CD2-CE1 3.84Å; Y11-Y25 AromaticContact CD2-CE2 3.88Å; Y11-Y25 HydrophobicContact CD2-CE2 3.88Å; Y11-Y25 HydrophobicContact CD2-CG 4.22Å; Y11-Y25 AromaticContact CD2-CZ 3.69Å; Y11-Y25 HydrophobicContact CE2-CE1 4.33Å
12N92.2Very high86.3Confident75 Ų7591.4 Ų91.440%0.40149%0.486SS..  trans-113.4114.1168.3-172.7-24.9000110.7E10 R14 V15 H16E10-N12 PolarHBondContact O-N 2.96Å; N12-R14 PolarHBondContact O-N 3.46Å; N12-R14 WeakPolarHBondContact OD1-CB 3.42Å; N12-R14 PolarHBondContact OD1-N 3.32Å; N12-V15 HydrophobicContact CB-CB 4.31Å; N12-V15 HydrophobicContact CB-CG2 4.22Å; N12-V15 PolarHBondContact O-N 2.78Å; N12-V15 VanDerWaalsContact O-N 3.09Å; N12-H16 PolarHBondContact N-CD2 3.21Å; N12-H16 PolarHBondContact O-CD2 2.78Å; N12-H16 PolarHBondContact O-N 2.91Å
13A90.7Very high88Confident58 Ų5887.6 Ų87.648%0.47947%0.471SS..Hα-helixtrans-58.2-31.5179.700000113.3Y11 V15 G17Y11-A13 HydrophobicContact CE1-CB 4.03Å; A13-V15 VanDerWaalsContact C-N 3.34Å; A13-V15 PolarHBondContact O-N 3.48Å; A13-G17 WeakPolarHBondContact O-CA 3.36Å; A13-G17 PolarHBondContact O-N 3Å
14R92.9Very high89.3Confident226 Ų22689.6 Ų89.685%0.85347%0.474SS*.Hα-helixtrans-70.6-29.8178.9-167.3176.673.6174.82.6112.8N12N12-R14 PolarHBondContact O-N 3.46Å; N12-R14 WeakPolarHBondContact OD1-CB 3.42Å; N12-R14 PolarHBondContact OD1-N 3.32Å
15V92.3Very high90.3Very high100 Ų10084 Ų8461%0.60645%0.449SS*.Hα-helixtrans-94.4-37.4-177.5-179.60000111.2N12 A13N12-V15 HydrophobicContact CB-CB 4.31Å; N12-V15 HydrophobicContact CB-CG2 4.22Å; N12-V15 PolarHBondContact O-N 2.78Å; N12-V15 VanDerWaalsContact O-N 3.09Å; A13-V15 VanDerWaalsContact C-N 3.34Å; A13-V15 PolarHBondContact O-N 3.48Å
16H90.2Very high90.9Very high76 Ų7680.3 Ų80.335%0.35241%0.411SS..Hα-helixtrans-100.9-13.2-172.1-60-47.8000114.6Y11 N12 Y25Y11-H16 HydrophobicContact CD2-CB 4.19Å; Y11-H16 HydrophobicContact CE2-CB 3.98Å; N12-H16 PolarHBondContact N-CD2 3.21Å; N12-H16 PolarHBondContact O-CD2 2.78Å; N12-H16 PolarHBondContact O-N 2.91Å; H16-Y25 HydrophobicContact CB-CD1 4.11Å; H16-Y25 HydrophobicContact CB-CE1 3.68Å; H16-Y25 AromaticContact CD2-CD1 3.28Å; H16-Y25 WeakPolarHBondContact CD2-CD1 3.48Å; H16-Y25 AromaticContact CD2-CE1 3.78Å; H16-Y25 AromaticContact CE1-CD1 3.86Å; H16-Y25 AromaticContact CG-CD1 3.48Å; H16-Y25 VanDerWaalsContact CG-CD1 3.48Å; H16-Y25 AromaticContact CG-CE1 3.57Å; H16-Y25 AromaticContact ND1-CD1 3.83Å; H16-Y25 AromaticContact NE2-CD1 3.54Å
17G93.2Very high91.1Very high41 Ų4184.1 Ų84.142%0.42342%0.423SS..  trans72.5-136.1-173.800000111.6Y11 A13Y11-G17 PolarHBondContact OH-O 3.46Å; A13-G17 WeakPolarHBondContact O-CA 3.36Å; A13-G17 PolarHBondContact O-N 3Å
18V92.4Very high91.2Very high135 Ų13588 Ų8882%0.81844%0.435SS*.SBendtrans-68.4137.7-179.1-178.30000110.7F20V18-F20 PolarHBondContact O-N 3.49Å
19Y92.5Very high91.4Very high87 Ų8788.6 Ų88.634%0.34144%0.436SS..  trans-63.4130.7177.6-179.9-108.5000111.8L7 P8 Y11 P21 Y25L7-Y19 HydrophobicContact CD2-CD1 3.8Å; L7-Y19 HydrophobicContact CD2-CD2 3.5Å; L7-Y19 HydrophobicContact CD2-CE1 4.01Å; L7-Y19 HydrophobicContact CD2-CE2 3.73Å; L7-Y19 HydrophobicContact CD2-CG 3.53Å; P8-Y19 HydrophobicContact CG-CE2 4.02Å; Y11-Y19 HydrophobicContact CD1-CD2 4.4Å; Y11-Y19 AromaticContact CD2-CD2 3.8Å; Y11-Y19 HydrophobicContact CD2-CD2 3.8Å; Y11-Y19 HydrophobicContact CE1-CD2 4.47Å; Y11-Y19 AromaticContact CE2-CD2 3.87Å; Y11-Y19 HydrophobicContact CE2-CD2 3.87Å; Y11-Y19 HydrophobicContact CE2-CG 4.46Å; Y11-Y19 HydrophobicContact CG-CD2 4.05Å; Y11-Y19 PolarHBondContact OH-N 3.28Å; Y19-P21 HydrophobicContact CE1-CB 3.88Å; Y19-Y25 AromaticContact CD2-CE2 3.76Å; Y19-Y25 HydrophobicContact CD2-CE2 3.76Å; Y19-Y25 HydrophobicContact CE2-CD2 4.28Å; Y19-Y25 AromaticContact CE2-CE2 3.56Å; Y19-Y25 HydrophobicContact CE2-CE2 3.56Å
20F92.8Very high91.6Very high79 Ų7982.9 Ų82.935%0.34641%0.414SS..  trans-124.2116.2174.4-176.2-100.6000110V18 G22 T23 Y25 F67V18-F20 PolarHBondContact O-N 3.49Å; F20-G22 VanDerWaalsContact CE1-CA 3.43Å; F20-G22 PolarHBondContact O-N 2.85Å; F20-T23 VanDerWaalsContact CD1-OG1 3.27Å; F20-T23 WeakPolarHBondContact CD1-OG1 3Å; F20-T23 PolarHBondContact O-N 3.18Å; F20-Y25 PolarHBondContact N-OH 3.19Å; F20-Y25 PolarHBondContact O-OH 3.09Å; F20-F67 HydrophobicContact CD2-CE2 4.11Å; F20-F67 AromaticContact CE2-CD2 3.49Å; F20-F67 HydrophobicContact CE2-CD2 3.49Å; F20-F67 VanDerWaalsContact CE2-CD2 3.49Å; F20-F67 AromaticContact CE2-CE2 3.36Å; F20-F67 HydrophobicContact CE2-CE2 3.36Å; F20-F67 HydrophobicContact CE2-CZ 4.36Å; F20-F67 AromaticContact CZ-CD2 3.61Å; F20-F67 HydrophobicContact CZ-CD2 3.61Å; F20-F67 AromaticContact CZ-CE2 3.85Å; F20-F67 HydrophobicContact CZ-CE2 3.85Å
21P92.3Very high91.8Very high23 Ų2381.9 Ų81.915%0.14942%0.416CS..THydrogen-bonded Turntrans-73-12.9-170.730.5-37.5000113.8Y19 R60 W63 F67Y19-P21 HydrophobicContact CE1-CB 3.88Å; P21-R60 WeakPolarHBondContact O-CG 3.29Å; P21-W63 HydrophobicContact CB-CB 4.25Å; P21-W63 HydrophobicContact CB-CD2 3.95Å; P21-W63 HydrophobicContact CB-CG 3.66Å; P21-W63 HydrophobicContact CG-CB 4.02Å; P21-W63 HydrophobicContact CG-CD2 3.61Å; P21-W63 HydrophobicContact CG-CE3 3.96Å; P21-W63 HydrophobicContact CG-CG 3.62Å; P21-F67 HydrophobicContact CG-CE2 4.21Å
22G92.8Very high91.7Very high3 Ų386.1 Ų86.13%0.03144%0.435CS..THydrogen-bonded Turntrans-84.8-5175.200000114.8F20 R64F20-G22 VanDerWaalsContact CE1-CA 3.43Å; F20-G22 PolarHBondContact O-N 2.85Å; G22-R64 WeakPolarHBondContact O-CD 3.29Å
23T93Very high91.8Very high62 Ų6286 Ų8638%0.3845%0.451SS..SBendtrans-100.3139.6-175.4-710000111.1F20 Y25 R60F20-T23 VanDerWaalsContact CD1-OG1 3.27Å; F20-T23 WeakPolarHBondContact CD1-OG1 3Å; F20-T23 PolarHBondContact O-N 3.18Å; T23-Y25 HydrophobicContact CG2-CD1 4.08Å; T23-Y25 HydrophobicContact CG2-CE1 3.81Å; T23-Y25 HydrophobicContact CG2-CE2 4.41Å; T23-R60 VanDerWaalsContact O-CD 3.32Å; T23-R60 WeakPolarHBondContact O-CD 3.44Å
24Y92.5Very high92Very high107 Ų10788.7 Ų88.742%0.4246%0.458SS..  trans-92.1119.1169.3-179.2-113.9000109.5K27Y24-K27 WeakPolarHBondContact CE1-O 3.48Å
25Y91.9Very high92.1Very high28 Ų2878.7 Ų78.711%0.1142%0.422CS..  trans-92.3-8.2-176.5-64.3-72.6000114P8 Y11 H16 Y19 F20 T23P8-Y25 HydrophobicContact CG-CD2 4.43Å; Y11-Y25 HydrophobicContact CD2-CD1 4.1Å; Y11-Y25 HydrophobicContact CD2-CD2 4.13Å; Y11-Y25 AromaticContact CD2-CE1 3.84Å; Y11-Y25 HydrophobicContact CD2-CE1 3.84Å; Y11-Y25 AromaticContact CD2-CE2 3.88Å; Y11-Y25 HydrophobicContact CD2-CE2 3.88Å; Y11-Y25 HydrophobicContact CD2-CG 4.22Å; Y11-Y25 AromaticContact CD2-CZ 3.69Å; Y11-Y25 HydrophobicContact CE2-CE1 4.33Å; H16-Y25 HydrophobicContact CB-CD1 4.11Å; H16-Y25 HydrophobicContact CB-CE1 3.68Å; H16-Y25 AromaticContact CD2-CD1 3.28Å; H16-Y25 WeakPolarHBondContact CD2-CD1 3.48Å; H16-Y25 AromaticContact CD2-CE1 3.78Å; H16-Y25 AromaticContact CE1-CD1 3.86Å; H16-Y25 AromaticContact CG-CD1 3.48Å; H16-Y25 VanDerWaalsContact CG-CD1 3.48Å; H16-Y25 AromaticContact CG-CE1 3.57Å; H16-Y25 AromaticContact ND1-CD1 3.83Å; H16-Y25 AromaticContact NE2-CD1 3.54Å; Y19-Y25 AromaticContact CD2-CE2 3.76Å; Y19-Y25 HydrophobicContact CD2-CE2 3.76Å; Y19-Y25 HydrophobicContact CE2-CD2 4.28Å; Y19-Y25 AromaticContact CE2-CE2 3.56Å; Y19-Y25 HydrophobicContact CE2-CE2 3.56Å; F20-Y25 PolarHBondContact N-OH 3.19Å; F20-Y25 PolarHBondContact O-OH 3.09Å; T23-Y25 HydrophobicContact CG2-CD1 4.08Å; T23-Y25 HydrophobicContact CG2-CE1 3.81Å; T23-Y25 HydrophobicContact CG2-CE2 4.41Å
26G90.2Very high92.2Very high14 Ų1480 Ų8014%0.14442%0.422CS..SBendtrans-77.8-174.6178.400000113.9K28G26-K28 PolarHBondContact O-N 3.39Å
27K90.1Very high92.3Very high197 Ų19783.5 Ų83.586%0.85744%0.442SS*.PPolyproline II helixtrans-60118.6177.6-174.5178.1179.3-178.60110.6Y24Y24-K27 WeakPolarHBondContact CE1-O 3.48Å
28K87.9Confident92.3Very high181 Ų18185.1 Ų85.179%0.78746%0.458SS*.PPolyproline II helixtrans-69132.5173.8-63.9179.3-177.4175.90109.1G26G26-K28 PolarHBondContact O-N 3.39Å
29D90.5Very high92.4Very high51 Ų5182 Ų8227%0.27344%0.435SS..PPolyproline II helixtrans-103.5173.2168.4-164.70.1000108.2R46D29-R46 IonicContact OD1-NE 3.52Å; D29-R46 IonicContact OD1-NH2 2.76Å; D29-R46 IonicContact OD2-NE 3.86Å
30I92.2Very high92.4Very high60 Ų6079.9 Ų79.931%0.30843%0.429SS..PPolyproline II helixtrans-52.7126.1178.4-53.7172000108.8D34 V35 W43 R47I30-D34 HydrophobicContact CG2-CB 3.88Å; I30-V35 HydrophobicContact CB-CG2 4.15Å; I30-V35 HydrophobicContact CG2-CG2 3.77Å; I30-W43 PolarHBondContact O-NE1 2.93Å; I30-R47 PolarHBondContact O-NH2 2.88Å
31P92.9Very high92.4Very high76 Ų7680.6 Ų80.649%0.49444%0.444SS..PPolyproline II helixtrans-57140.7172.1-2334000110G33 D34 V35P31-G33 PolarHBondContact O-N 2.89Å; P31-D34 WeakPolarHBondContact CG-OD2 3.11Å; P31-D34 PolarHBondContact O-N 3.39Å; P31-V35 WeakPolarHBondContact O-CG2 3.27Å
32F91.1Very high92.5Very high129 Ų12984.5 Ų84.557%0.56646%0.46SS*.G310 helixtrans-53.8-33.9-174.9179.6-107.3000113.6D34 V35 L40 W43 F44F32-D34 VanDerWaalsContact C-N 3.28Å; F32-D34 PolarHBondContact O-N 3.43Å; F32-V35 PolarHBondContact O-N 3.2Å; F32-L40 HydrophobicContact CE2-CD2 3.89Å; F32-W43 HydrophobicContact CB-CH2 4.1Å; F32-W43 HydrophobicContact CB-CZ2 3.99Å; F32-W43 HydrophobicContact CD2-CE3 4.46Å; F32-W43 AromaticContact CD2-CH2 3.78Å; F32-W43 HydrophobicContact CD2-CH2 3.78Å; F32-W43 HydrophobicContact CD2-CZ2 4.19Å; F32-W43 AromaticContact CD2-CZ3 3.94Å; F32-W43 HydrophobicContact CD2-CZ3 3.94Å; F32-W43 HydrophobicContact CG-CH2 4.37Å; F32-F44 HydrophobicContact CE2-CZ 4.4Å
33G93.4Very high92.5Very high72 Ų7285.4 Ų85.474%0.74246%0.463SS*.G310 helixtrans-68.8-19.6177.700000115.3P31P31-G33 PolarHBondContact O-N 2.89Å
34D95.1Very high92.5Very high116 Ų11688.2 Ų88.262%0.6247%0.47SS*.G310 helixtrans-100.70.2-179.4-56.4-32.7000112.1I30 P31 F32I30-D34 HydrophobicContact CG2-CB 3.88Å; P31-D34 WeakPolarHBondContact CG-OD2 3.11Å; P31-D34 PolarHBondContact O-N 3.39Å; F32-D34 VanDerWaalsContact C-N 3.28Å; F32-D34 PolarHBondContact O-N 3.43Å
35V94.1Very high92.5Very high15 Ų1587 Ų879%0.09148%0.477CS..  trans-78.5125.5-179.1-175.90000109.9I30 P31 F32 Q39 L40 W43I30-V35 HydrophobicContact CB-CG2 4.15Å; I30-V35 HydrophobicContact CG2-CG2 3.77Å; P31-V35 WeakPolarHBondContact O-CG2 3.27Å; F32-V35 PolarHBondContact O-N 3.2Å; V35-Q39 HydrophobicContact CG1-CB 4.32Å; V35-L40 HydrophobicContact CB-CD2 4.2Å; V35-L40 HydrophobicContact CG1-CD2 3.78Å; V35-L40 HydrophobicContact CG1-CG 4.24Å; V35-W43 HydrophobicContact CG1-CB 3.89Å; V35-W43 HydrophobicContact CG1-CG 4.02Å; V35-W43 HydrophobicContact CG2-CD2 4.09Å; V35-W43 HydrophobicContact CG2-CG 3.76Å; V35-W43 VanDerWaalsContact CG2-NE1 3.32Å
36Q94.5Very high92.4Very high129 Ų12990.5 Ų90.560%0.60349%0.49SS*.  trans-68.2142.5173.3-63-178.2-7.600110.7G38 Q39 L40Q36-G38 PolarHBondContact O-N 3.07Å; Q36-G38 VanDerWaalsContact O-N 3.17Å; Q36-Q39 HydrophobicContact CB-CB 4.47Å; Q36-Q39 HydrophobicContact CB-CG 4.33Å; Q36-Q39 CarbonylContact O-C 3.6Å; Q36-Q39 WeakPolarHBondContact O-CA 3.45Å; Q36-Q39 PolarHBondContact O-N 3.17Å; Q36-L40 PolarHBondContact O-N 2.75Å
37L93.1Very high92.4Very high149 Ų14994.4 Ų94.478%0.7850%0.5SS*.G310 helixtrans-54.5-39.5-178.5-65.3178.6000112.8Q39 L40L37-Q39 PolarHBondContact O-N 3.12Å; L37-L40 HydrophobicContact CB-CD1 4.42Å; L37-L40 HydrophobicContact CD2-CD1 3.57Å; L37-L40 WeakPolarHBondContact O-CB 3.19Å; L37-L40 PolarHBondContact O-N 2.94Å
38G93.8Very high92.3Very high74 Ų7488.3 Ų88.376%0.76348%0.483SS*.G310 helixtrans-67-18.6176.800000114.7Q36Q36-G38 PolarHBondContact O-N 3.07Å; Q36-G38 VanDerWaalsContact O-N 3.17Å
39Q93Very high92.4Very high70 Ų7088 Ų8833%0.32748%0.481SS..G310 helixtrans-102.1-0.5178.9-63.5179.3-7.700112.7V35 Q36 L37 S41 E42 W43V35-Q39 HydrophobicContact CG1-CB 4.32Å; Q36-Q39 HydrophobicContact CB-CB 4.47Å; Q36-Q39 HydrophobicContact CB-CG 4.33Å; Q36-Q39 CarbonylContact O-C 3.6Å; Q36-Q39 WeakPolarHBondContact O-CA 3.45Å; Q36-Q39 PolarHBondContact O-N 3.17Å; L37-Q39 PolarHBondContact O-N 3.12Å; Q39-S41 PolarHBondContact O-N 3.2Å; Q39-E42 PolarHBondContact O-N 3.05Å; Q39-W43 VanDerWaalsContact O-CB 3.29Å; Q39-W43 WeakPolarHBondContact O-CB 3.31Å; Q39-W43 PolarHBondContact O-N 3.21Å
40L93.9Very high92.3Very high43 Ų4389.2 Ų89.223%0.22549%0.487CS..Hα-helixtrans-59.8-45-175.9-80.4173.5000112.5F32 V35 Q36 L37 E42 W43 F44F32-L40 HydrophobicContact CE2-CD2 3.89Å; V35-L40 HydrophobicContact CB-CD2 4.2Å; V35-L40 HydrophobicContact CG1-CD2 3.78Å; V35-L40 HydrophobicContact CG1-CG 4.24Å; Q36-L40 PolarHBondContact O-N 2.75Å; L37-L40 HydrophobicContact CB-CD1 4.42Å; L37-L40 HydrophobicContact CD2-CD1 3.57Å; L37-L40 WeakPolarHBondContact O-CB 3.19Å; L37-L40 PolarHBondContact O-N 2.94Å; L40-E42 PolarHBondContact O-N 3.36Å; L40-W43 PolarHBondContact O-N 3.44Å; L40-F44 WeakPolarHBondContact O-CD2 3.27Å; L40-F44 PolarHBondContact O-N 3.24Å
41S92.7Very high92.2Very high93 Ų9390.6 Ų90.665%0.6550%0.501SS*.Hα-helixtrans-61.8-44.8179.656.30000111.5Q39 F44 S45Q39-S41 PolarHBondContact O-N 3.2Å; S41-F44 PolarHBondContact O-N 3.26Å; S41-S45 PolarHBondContact O-N 2.89Å
42E93.3Very high92Very high105 Ų10589 Ų8949%0.49149%0.489SS..Hα-helixtrans-64.6-42.3176.2-161.6-160.9141.400111.4Q39 L40 F44 S45 R46Q39-E42 PolarHBondContact O-N 3.05Å; L40-E42 PolarHBondContact O-N 3.36Å; E42-F44 VanDerWaalsContact C-N 3.34Å; E42-F44 PolarHBondContact O-N 3.32Å; E42-S45 WeakPolarHBondContact O-CA 3.28Å; E42-S45 VanDerWaalsContact O-CB 3.28Å; E42-S45 WeakPolarHBondContact O-CB 3.44Å; E42-S45 PolarHBondContact O-N 2.59Å; E42-R46 WeakPolarHBondContact O-CG 3.38Å; E42-R46 PolarHBondContact O-N 2.88Å; E42-R46 IonicContact OE1-CZ 3.59Å; E42-R46 IonicContact OE1-NH1 3.98Å; E42-R46 PolarHBondContact OE1-NH1 3.37Å; E42-R46 IonicContact OE2-NH1 3.78Å
43W94.2Very high91.8Very high23 Ų2385.1 Ų85.19%0.08747%0.474CS..Hα-helixtrans-60.2-42.5177-176.895.9000112I30 F32 V35 Q39 L40 S45 R46 R47I30-W43 PolarHBondContact O-NE1 2.93Å; F32-W43 HydrophobicContact CB-CH2 4.1Å; F32-W43 HydrophobicContact CB-CZ2 3.99Å; F32-W43 HydrophobicContact CD2-CE3 4.46Å; F32-W43 AromaticContact CD2-CH2 3.78Å; F32-W43 HydrophobicContact CD2-CH2 3.78Å; F32-W43 HydrophobicContact CD2-CZ2 4.19Å; F32-W43 AromaticContact CD2-CZ3 3.94Å; F32-W43 HydrophobicContact CD2-CZ3 3.94Å; F32-W43 HydrophobicContact CG-CH2 4.37Å; V35-W43 HydrophobicContact CG1-CB 3.89Å; V35-W43 HydrophobicContact CG1-CG 4.02Å; V35-W43 HydrophobicContact CG2-CD2 4.09Å; V35-W43 HydrophobicContact CG2-CG 3.76Å; V35-W43 VanDerWaalsContact CG2-NE1 3.32Å; Q39-W43 VanDerWaalsContact O-CB 3.29Å; Q39-W43 WeakPolarHBondContact O-CB 3.31Å; Q39-W43 PolarHBondContact O-N 3.21Å; L40-W43 PolarHBondContact O-N 3.44Å; W43-S45 VanDerWaalsContact C-N 3.31Å; W43-S45 PolarHBondContact O-N 3.14Å; W43-R46 PolarHBondContact O-N 3.32Å; W43-R47 HydrophobicContact CE3-CG 4.48Å; W43-R47 HydrophobicContact CZ3-CG 4.36Å
44F91.9Very high91.7Very high121 Ų12187.2 Ų87.253%0.53147%0.466SS..Hα-helixtrans-64.6-35.7173.1-81.1-66.7000112.3F32 L40 S41 E42 R46 R47F32-F44 HydrophobicContact CE2-CZ 4.4Å; L40-F44 WeakPolarHBondContact O-CD2 3.27Å; L40-F44 PolarHBondContact O-N 3.24Å; S41-F44 PolarHBondContact O-N 3.26Å; E42-F44 VanDerWaalsContact C-N 3.34Å; E42-F44 PolarHBondContact O-N 3.32Å; F44-R46 VanDerWaalsContact C-N 3.32Å; F44-R46 PolarHBondContact O-N 3.1Å; F44-R47 PolarHBondContact O-N 3.17Å
45S91.8Very high91.5Very high81 Ų8187.2 Ų87.257%0.56647%0.466SS*.Hα-helixtrans-64-35.4177.4-167.40000112.8S41 E42 W43 R47S41-S45 PolarHBondContact O-N 2.89Å; E42-S45 WeakPolarHBondContact O-CA 3.28Å; E42-S45 VanDerWaalsContact O-CB 3.28Å; E42-S45 WeakPolarHBondContact O-CB 3.44Å; E42-S45 PolarHBondContact O-N 2.59Å; W43-S45 VanDerWaalsContact C-N 3.31Å; W43-S45 PolarHBondContact O-N 3.14Å; S45-R47 PolarHBondContact O-N 3.19Å
46R90.9Very high91.3Very high102 Ų10291.7 Ų91.739%0.38548%0.481SS..THydrogen-bonded Turntrans-71.5-14.3178-64.9-171.2-58.8-107.94.8114D29 E42 W43 F44D29-R46 IonicContact OD1-NE 3.52Å; D29-R46 IonicContact OD1-NH2 2.76Å; D29-R46 IonicContact OD2-NE 3.86Å; E42-R46 WeakPolarHBondContact O-CG 3.38Å; E42-R46 PolarHBondContact O-N 2.88Å; E42-R46 IonicContact OE1-CZ 3.59Å; E42-R46 IonicContact OE1-NH1 3.98Å; E42-R46 PolarHBondContact OE1-NH1 3.37Å; E42-R46 IonicContact OE2-NH1 3.78Å; W43-R46 PolarHBondContact O-N 3.32Å; F44-R46 VanDerWaalsContact C-N 3.32Å; F44-R46 PolarHBondContact O-N 3.1Å
47R89.8Confident91.2Very high96 Ų9687.4 Ų87.436%0.36247%0.468SS..SBendtrans-78.6141.5180-65.1-66-178.5-173.9-7111.4I30 W43 F44 S45 K49I30-R47 PolarHBondContact O-NH2 2.88Å; W43-R47 HydrophobicContact CE3-CG 4.48Å; W43-R47 HydrophobicContact CZ3-CG 4.36Å; F44-R47 PolarHBondContact O-N 3.17Å; S45-R47 PolarHBondContact O-N 3.19Å; R47-K49 PolarHBondContact O-N 3.34Å
48S89.1Confident91.2Very high69 Ų6984.8 Ų84.848%0.48346%0.458SS..  trans-61.9120174.157.50000110.6N50 D53S48-N50 PolarHBondContact O-N 3.13Å; S48-D53 WeakPolarHBondContact OG-CB 3.35Å
49K88.5Confident91.2Very high173 Ų17383.8 Ų83.875%0.75244%0.439SS*.  trans-85.49.2173.2-59.8175.6-173.5172.10112.8R47 P51R47-K49 PolarHBondContact O-N 3.34Å; K49-P51 WeakPolarHBondContact O-CD 3.42Å
50N89.9Confident91.3Very high77 Ų7782.8 Ų82.841%0.41243%0.432SS..  trans-74.6123.2179.7-173.4-23.5000109.8S48 V52 D53 M54S48-N50 PolarHBondContact O-N 3.13Å; N50-V52 PolarHBondContact O-N 3.34Å; N50-V52 VanDerWaalsContact O-N 3.16Å; N50-V52 WeakPolarHBondContact OD1-CB 3.44Å; N50-V52 PolarHBondContact OD1-N 3.44Å; N50-D53 HydrophobicContact CB-CB 4.4Å; N50-D53 WeakPolarHBondContact CB-OD2 3.45Å; N50-D53 PolarHBondContact O-N 2.88Å; N50-M54 PolarHBondContact O-N 3.38Å
51P89.6Confident91.4Very high90 Ų9086.6 Ų86.658%0.58445%0.447SS*.Hα-helixtrans-54.9-33.7177.9-26.734.7000113.8K49 D53 M54 L55K49-P51 WeakPolarHBondContact O-CD 3.42Å; P51-D53 VanDerWaalsContact C-N 3.32Å; P51-D53 PolarHBondContact O-N 2.96Å; P51-M54 WeakPolarHBondContact O-CB 3.47Å; P51-M54 PolarHBondContact O-N 3.45Å; P51-L55 WeakPolarHBondContact O-CG 3.37Å; P51-L55 PolarHBondContact O-N 2.88Å
52V88.3Confident91.5Very high42 Ų4288.4 Ų88.426%0.25544%0.441SS..Hα-helixtrans-64.5-39.2179-179.80000111.2N50 M54 L55 R56N50-V52 PolarHBondContact O-N 3.34Å; N50-V52 VanDerWaalsContact O-N 3.16Å; N50-V52 WeakPolarHBondContact OD1-CB 3.44Å; N50-V52 PolarHBondContact OD1-N 3.44Å; V52-M54 VanDerWaalsContact C-N 3.33Å; V52-L55 PolarHBondContact O-N 2.83Å; V52-R56 VanDerWaalsContact O-CG 3.29Å; V52-R56 WeakPolarHBondContact O-CG 3.4Å; V52-R56 PolarHBondContact O-N 3.48Å
53D87.8Confident91.6Very high47 Ų4787.6 Ų87.625%0.25143%0.433SS..Hα-helixtrans-72.6-31.5179.5-64.5-32000111.6S48 N50 P51 R56 A57S48-D53 WeakPolarHBondContact OG-CB 3.35Å; N50-D53 HydrophobicContact CB-CB 4.4Å; N50-D53 WeakPolarHBondContact CB-OD2 3.45Å; N50-D53 PolarHBondContact O-N 2.88Å; P51-D53 VanDerWaalsContact C-N 3.32Å; P51-D53 PolarHBondContact O-N 2.96Å; D53-R56 PolarHBondContact O-N 3.34Å; D53-R56 IonicContact OD1-CZ 3.96Å; D53-R56 IonicContact OD1-NH1 2.88Å; D53-R56 PolarHBondContact OD1-NH1 3.02Å; D53-A57 WeakPolarHBondContact O-CB 3.36Å; D53-A57 PolarHBondContact O-N 2.93Å
54M90.6Very high91.6Very high116 Ų11692.9 Ų92.957%0.57145%0.453SS*.Hα-helixtrans-64.6-47.3170.4-62.1176.267.300111.2N50 P51 V52 R56 A57 V58N50-M54 PolarHBondContact O-N 3.38Å; P51-M54 WeakPolarHBondContact O-CB 3.47Å; P51-M54 PolarHBondContact O-N 3.45Å; V52-M54 VanDerWaalsContact C-N 3.33Å; M54-R56 VanDerWaalsContact C-N 3.3Å; M54-R56 PolarHBondContact O-N 2.98Å; M54-A57 WeakPolarHBondContact O-CA 3.39Å; M54-A57 WeakPolarHBondContact O-CB 3.41Å; M54-A57 PolarHBondContact O-N 3.33Å; M54-V58 WeakPolarHBondContact O-CG2 3.41Å; M54-V58 PolarHBondContact O-N 3.08Å
55L91Very high91.7Very high117 Ų11789.7 Ų89.761%0.61344%0.438SS*.Hα-helixtrans-59.7-41175.4-71.1174000111.8P51 V52 A57 V58 S59P51-L55 WeakPolarHBondContact O-CG 3.37Å; P51-L55 PolarHBondContact O-N 2.88Å; V52-L55 PolarHBondContact O-N 2.83Å; L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 3.17Å; L55-V58 PolarHBondContact O-N 2.97Å; L55-S59 WeakPolarHBondContact O-CB 3.43Å; L55-S59 PolarHBondContact O-N 3.46Å
56R89.5Confident91.8Very high108 Ų10885.9 Ų85.941%0.40841%0.411SS..Hα-helixtrans-62.4-37.3173.1-71.6169.4175.2157.4-4.4111.9V52 D53 M54 S59 R60V52-R56 VanDerWaalsContact O-CG 3.29Å; V52-R56 WeakPolarHBondContact O-CG 3.4Å; V52-R56 PolarHBondContact O-N 3.48Å; D53-R56 PolarHBondContact O-N 3.34Å; D53-R56 IonicContact OD1-CZ 3.96Å; D53-R56 IonicContact OD1-NH1 2.88Å; D53-R56 PolarHBondContact OD1-NH1 3.02Å; M54-R56 VanDerWaalsContact C-N 3.3Å; M54-R56 PolarHBondContact O-N 2.98Å; R56-S59 PolarHBondContact O-N 2.91Å; R56-R60 WeakPolarHBondContact O-CG 3.49Å; R56-R60 PolarHBondContact O-N 3.02Å; R56-R60 PolarHBondContact O-NH1 2.93Å
57A91.9Very high91.9Very high39 Ų3985.2 Ų85.232%0.32241%0.411SS..Hα-helixtrans-66.6-43.217600000112.3D53 M54 L55 S59 R60 F61D53-A57 WeakPolarHBondContact O-CB 3.36Å; D53-A57 PolarHBondContact O-N 2.93Å; M54-A57 WeakPolarHBondContact O-CA 3.39Å; M54-A57 WeakPolarHBondContact O-CB 3.41Å; M54-A57 PolarHBondContact O-N 3.33Å; L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 3.17Å; A57-S59 VanDerWaalsContact C-N 3.34Å; A57-R60 PolarHBondContact O-N 2.97Å; A57-F61 PolarHBondContact O-N 2.67Å
58V94.6Very high92Very high94 Ų9489 Ų8957%0.5743%0.426SS*.Hα-helixtrans-62-43.4173.8175.60000110.6M54 L55 R60 F61 Y62M54-V58 WeakPolarHBondContact O-CG2 3.41Å; M54-V58 PolarHBondContact O-N 3.08Å; L55-V58 PolarHBondContact O-N 2.97Å; V58-R60 PolarHBondContact O-N 3.23Å; V58-F61 WeakPolarHBondContact O-CB 3.43Å; V58-F61 PolarHBondContact O-N 3.47Å; V58-F61 VanDerWaalsContact O-N 3.17Å; V58-Y62 PolarHBondContact O-N 3.44Å
59S92.9Very high92.1Very high53 Ų5389.3 Ų89.337%0.37142%0.416SS..Hα-helixtrans-58.4-48.4175179.70000111.9L55 R56 A57 F61 Y62 W63L55-S59 WeakPolarHBondContact O-CB 3.43Å; L55-S59 PolarHBondContact O-N 3.46Å; R56-S59 PolarHBondContact O-N 2.91Å; A57-S59 VanDerWaalsContact C-N 3.34Å; S59-F61 VanDerWaalsContact C-N 3.29Å; S59-F61 PolarHBondContact O-N 3.32Å; S59-Y62 WeakPolarHBondContact O-CB 3.42Å; S59-Y62 PolarHBondContact O-N 3.23Å; S59-Y62 VanDerWaalsContact O-N 3.14Å; S59-W63 PolarHBondContact O-N 2.94Å
60R94.3Very high92.2Very high50 Ų5084.8 Ų84.819%0.18940%0.403CS..Hα-helixtrans-58.5-40.4174.9-71.9-172.2-63.4-85.35.5112.4P21 T23 R56 A57 V58 R64P21-R60 WeakPolarHBondContact O-CG 3.29Å; T23-R60 VanDerWaalsContact O-CD 3.32Å; T23-R60 WeakPolarHBondContact O-CD 3.44Å; R56-R60 WeakPolarHBondContact O-CG 3.49Å; R56-R60 PolarHBondContact O-N 3.02Å; R56-R60 PolarHBondContact O-NH1 2.93Å; A57-R60 PolarHBondContact O-N 2.97Å; V58-R60 PolarHBondContact O-N 3.23Å; R60-R64 WeakPolarHBondContact O-CG 3.46Å; R60-R64 PolarHBondContact O-N 3.04Å; R60-R64 PolarHBondContact O-NE 3.16Å
61F95.8Very high92.1Very high123 Ų12385.6 Ų85.654%0.53941%0.406SS..Hα-helixtrans-62.6-48.3174.7173-97000111.4A57 V58 S59 W63 R64 Y65A57-F61 PolarHBondContact O-N 2.67Å; V58-F61 WeakPolarHBondContact O-CB 3.43Å; V58-F61 PolarHBondContact O-N 3.47Å; V58-F61 VanDerWaalsContact O-N 3.17Å; S59-F61 VanDerWaalsContact C-N 3.29Å; S59-F61 PolarHBondContact O-N 3.32Å; F61-W63 VanDerWaalsContact C-N 3.32Å; F61-W63 PolarHBondContact O-N 3.38Å; F61-R64 PolarHBondContact O-N 2.98Å; F61-R64 VanDerWaalsContact O-N 3.17Å; F61-Y65 WeakPolarHBondContact O-CB 3.4Å; F61-Y65 PolarHBondContact O-N 2.99Å
62Y95.1Very high92.1Very high131 Ų13183.3 Ų83.351%0.51439%0.39SS..Hα-helixtrans-55.9-45.1177.2173.8-100.8000111.8V58 S59 R64 Y65 A66V58-Y62 PolarHBondContact O-N 3.44Å; S59-Y62 WeakPolarHBondContact O-CB 3.42Å; S59-Y62 PolarHBondContact O-N 3.23Å; S59-Y62 VanDerWaalsContact O-N 3.14Å; Y62-R64 PolarHBondContact O-N 2.81Å; Y62-Y65 WeakPolarHBondContact O-CB 3.32Å; Y62-Y65 PolarHBondContact O-N 3.19Å; Y62-A66 HydrophobicContact CE1-CB 4.39Å; Y62-A66 VanDerWaalsContact O-CB 3.27Å; Y62-A66 WeakPolarHBondContact O-CB 3.12Å; Y62-A66 PolarHBondContact O-N 3.18Å
63W95.1Very high92.2Very high87 Ų8791.7 Ų91.733%0.3342%0.423SS..Hα-helixtrans-63-41.7177.9-74.7111.1000113.1P21 S59 F61 Y65 A66 F67 M71P21-W63 HydrophobicContact CB-CB 4.25Å; P21-W63 HydrophobicContact CB-CD2 3.95Å; P21-W63 HydrophobicContact CB-CG 3.66Å; P21-W63 HydrophobicContact CG-CB 4.02Å; P21-W63 HydrophobicContact CG-CD2 3.61Å; P21-W63 HydrophobicContact CG-CE3 3.96Å; P21-W63 HydrophobicContact CG-CG 3.62Å; S59-W63 PolarHBondContact O-N 2.94Å; F61-W63 VanDerWaalsContact C-N 3.32Å; F61-W63 PolarHBondContact O-N 3.38Å; W63-Y65 VanDerWaalsContact C-N 3.32Å; W63-Y65 PolarHBondContact O-N 3.28Å; W63-A66 PolarHBondContact O-N 3.44Å; W63-F67 HydrophobicContact CE3-CE2 4.21Å; W63-F67 HydrophobicContact CE3-CZ 4.14Å; W63-F67 WeakPolarHBondContact O-CD2 3.46Å; W63-F67 WeakPolarHBondContact O-CG 3.47Å; W63-F67 PolarHBondContact O-N 3.43Å; W63-M71 HydrophobicContact CE3-CE 3.99Å; W63-M71 HydrophobicContact CZ3-CE 3.89Å
64R95.2Very high92.2Very high135 Ų135100 Ų10051%0.50945%0.451SS..Hα-helixtrans-63.4-40.9174.3-69.8-179.6-66.6-175.43.3111.7G22 R60 F61 Y62 R68G22-R64 WeakPolarHBondContact O-CD 3.29Å; R60-R64 WeakPolarHBondContact O-CG 3.46Å; R60-R64 PolarHBondContact O-N 3.04Å; R60-R64 PolarHBondContact O-NE 3.16Å; F61-R64 PolarHBondContact O-N 2.98Å; F61-R64 VanDerWaalsContact O-N 3.17Å; Y62-R64 PolarHBondContact O-N 2.81Å; R64-R68 VanDerWaalsContact O-CB 3.31Å; R64-R68 WeakPolarHBondContact O-CB 3.42Å; R64-R68 PolarHBondContact O-N 3.43Å; R64-R68 VanDerWaalsContact O-N 3.17Å
65Y94.6Very high91.9Very high54 Ų5499.6 Ų99.621%0.21246%0.457CS..Hα-helixtrans-64.4-49177.1178.6-90.7000111.5F61 Y62 W63 F67 R68 W69 V70 P79 Q82F61-Y65 WeakPolarHBondContact O-CB 3.4Å; F61-Y65 PolarHBondContact O-N 2.99Å; Y62-Y65 WeakPolarHBondContact O-CB 3.32Å; Y62-Y65 PolarHBondContact O-N 3.19Å; W63-Y65 VanDerWaalsContact C-N 3.32Å; W63-Y65 PolarHBondContact O-N 3.28Å; Y65-F67 PolarHBondContact O-N 3.28Å; Y65-R68 PolarHBondContact O-N 2.86Å; Y65-R68 VanDerWaalsContact O-N 3.07Å; Y65-W69 AromaticContact CD2-CD1 3.56Å; Y65-W69 AromaticContact CE2-CD1 3.47Å; Y65-W69 VanDerWaalsContact CE2-CD1 3.47Å; Y65-W69 HydrophobicContact CE2-CG 4.3Å; Y65-W69 PolarHBondContact O-N 3.49Å; Y65-V70 HydrophobicContact CD1-CG2 4.3Å; Y65-V70 HydrophobicContact CE1-CG2 3.94Å; Y65-P79 WeakPolarHBondContact OH-CA 3.41Å; Y65-P79 WeakPolarHBondContact OH-CB 3.39Å; Y65-Q82 PolarHBondContact OH-OE1 3.22Å
66A93.2Very high91.8Very high1 Ų196.7 Ų96.71%0.00845%0.446CS..Iπ-helixtrans-63.6-44.3-177.600000111Y62 W63 R68 W69 V70 M71Y62-A66 HydrophobicContact CE1-CB 4.39Å; Y62-A66 VanDerWaalsContact O-CB 3.27Å; Y62-A66 WeakPolarHBondContact O-CB 3.12Å; Y62-A66 PolarHBondContact O-N 3.18Å; W63-A66 PolarHBondContact O-N 3.44Å; A66-R68 PolarHBondContact O-N 3.47Å; A66-W69 PolarHBondContact O-N 2.87Å; A66-V70 HydrophobicContact CB-CB 4.36Å; A66-V70 CarbonylContact O-C 3.57Å; A66-V70 WeakPolarHBondContact O-CA 3.45Å; A66-V70 PolarHBondContact O-N 3.05Å; A66-M71 HydrophobicContact CB-CE 3.43Å; A66-M71 VanDerWaalsContact CB-CE 3.43Å; A66-M71 PolarHBondContact O-N 3.37Å
67F92.4Very high91.8Very high87 Ų8795.7 Ų95.738%0.38245%0.452SS..Iπ-helixtrans-64.9-27.6174.2-71.4-45.8000113.8F20 P21 W63 Y65 M71 T72F20-F67 HydrophobicContact CD2-CE2 4.11Å; F20-F67 AromaticContact CE2-CD2 3.49Å; F20-F67 HydrophobicContact CE2-CD2 3.49Å; F20-F67 VanDerWaalsContact CE2-CD2 3.49Å; F20-F67 AromaticContact CE2-CE2 3.36Å; F20-F67 HydrophobicContact CE2-CE2 3.36Å; F20-F67 HydrophobicContact CE2-CZ 4.36Å; F20-F67 AromaticContact CZ-CD2 3.61Å; F20-F67 HydrophobicContact CZ-CD2 3.61Å; F20-F67 AromaticContact CZ-CE2 3.85Å; F20-F67 HydrophobicContact CZ-CE2 3.85Å; P21-F67 HydrophobicContact CG-CE2 4.21Å; W63-F67 HydrophobicContact CE3-CE2 4.21Å; W63-F67 HydrophobicContact CE3-CZ 4.14Å; W63-F67 WeakPolarHBondContact O-CD2 3.46Å; W63-F67 WeakPolarHBondContact O-CG 3.47Å; W63-F67 PolarHBondContact O-N 3.43Å; Y65-F67 PolarHBondContact O-N 3.28Å; F67-M71 HydrophobicContact CD1-CB 4.45Å; F67-M71 HydrophobicContact CD1-CE 3.49Å; F67-M71 VanDerWaalsContact CD1-CE 3.49Å; F67-M71 HydrophobicContact CD1-SD 4.39Å; F67-M71 HydrophobicContact CE1-CE 3.5Å; F67-M71 VanDerWaalsContact CE1-CE 3.5Å; F67-M71 HydrophobicContact CE1-SD 4.22Å; F67-M71 HydrophobicContact CG-CE 4.17Å; F67-M71 HydrophobicContact CZ-CE 4.2Å; F67-T72 WeakPolarHBondContact O-CG2 3.46Å
68R92.2Very high91.8Very high176 Ų17695.6 Ų95.666%0.66445%0.447SS*.Iπ-helixtrans-83.7-31.4179.7-176.4172.4-81.7-160.5-6.8113.6R64 Y65 A66 T72R64-R68 VanDerWaalsContact O-CB 3.31Å; R64-R68 WeakPolarHBondContact O-CB 3.42Å; R64-R68 PolarHBondContact O-N 3.43Å; R64-R68 VanDerWaalsContact O-N 3.17Å; Y65-R68 PolarHBondContact O-N 2.86Å; Y65-R68 VanDerWaalsContact O-N 3.07Å; A66-R68 PolarHBondContact O-N 3.47Å; R68-T72 WeakPolarHBondContact O-CG2 3.24Å
69W92.5Very high91.7Very high75 Ų7592.4 Ų92.428%0.28443%0.429SS..Iπ-helixtrans-131.1-26.9-169-56.6115.2000115.9Y65 A66 V78 P79Y65-W69 AromaticContact CD2-CD1 3.56Å; Y65-W69 AromaticContact CE2-CD1 3.47Å; Y65-W69 VanDerWaalsContact CE2-CD1 3.47Å; Y65-W69 HydrophobicContact CE2-CG 4.3Å; Y65-W69 PolarHBondContact O-N 3.49Å; A66-W69 PolarHBondContact O-N 2.87Å; W69-V78 HydrophobicContact CD2-CB 4.23Å; W69-V78 HydrophobicContact CD2-CG1 3.72Å; W69-V78 HydrophobicContact CE3-CB 3.66Å; W69-V78 HydrophobicContact CE3-CG1 3.6Å; W69-V78 HydrophobicContact CE3-CG2 4.02Å; W69-V78 HydrophobicContact CG-CG1 4.4Å; W69-V78 HydrophobicContact CH2-CB 4.5Å; W69-V78 HydrophobicContact CH2-CG1 3.98Å; W69-V78 HydrophobicContact CH2-CG2 4.26Å; W69-V78 HydrophobicContact CZ2-CG1 4.08Å; W69-V78 HydrophobicContact CZ3-CB 3.83Å; W69-V78 HydrophobicContact CZ3-CG1 3.75Å; W69-V78 HydrophobicContact CZ3-CG2 3.66Å; W69-P79 HydrophobicContact CB-CG 3.8Å
70V89.3Confident91.7Very high78 Ų7896.9 Ų96.947%0.47344%0.442SS..Iπ-helixtrans-101.3-48.6-173-1780000110.9Y65 A66 T72Y65-V70 HydrophobicContact CD1-CG2 4.3Å; Y65-V70 HydrophobicContact CE1-CG2 3.94Å; A66-V70 HydrophobicContact CB-CB 4.36Å; A66-V70 CarbonylContact O-C 3.57Å; A66-V70 WeakPolarHBondContact O-CA 3.45Å; A66-V70 PolarHBondContact O-N 3.05Å; V70-T72 VanDerWaalsContact C-N 3.35Å
71M89.1Confident91.8Very high95 Ų95100 Ų10047%0.46846%0.457SS..SBendtrans-9827-176.3-60.8-174.5-81.900112.3W63 A66 F67W63-M71 HydrophobicContact CE3-CE 3.99Å; W63-M71 HydrophobicContact CZ3-CE 3.89Å; A66-M71 HydrophobicContact CB-CE 3.43Å; A66-M71 VanDerWaalsContact CB-CE 3.43Å; A66-M71 PolarHBondContact O-N 3.37Å; F67-M71 HydrophobicContact CD1-CB 4.45Å; F67-M71 HydrophobicContact CD1-CE 3.49Å; F67-M71 VanDerWaalsContact CD1-CE 3.49Å; F67-M71 HydrophobicContact CD1-SD 4.39Å; F67-M71 HydrophobicContact CE1-CE 3.5Å; F67-M71 VanDerWaalsContact CE1-CE 3.5Å; F67-M71 HydrophobicContact CE1-SD 4.22Å; F67-M71 HydrophobicContact CG-CE 4.17Å; F67-M71 HydrophobicContact CZ-CE 4.2Å
72T89Confident91.7Very high42 Ų4297.4 Ų97.426%0.25845%0.446SS..  trans-77.1147.6177.253.50000110.7F67 R68 V70 R74 P75F67-T72 WeakPolarHBondContact O-CG2 3.46Å; R68-T72 WeakPolarHBondContact O-CG2 3.24Å; V70-T72 VanDerWaalsContact C-N 3.35Å; T72-R74 PolarHBondContact O-N 3.38Å; T72-R74 VanDerWaalsContact O-N 3.15Å; T72-R74 VanDerWaalsContact OG1-C 3.29Å; T72-R74 PolarHBondContact OG1-O 2.9Å; T72-P75 WeakPolarHBondContact OG1-CA 3.43Å
73K89.9Confident91.6Very high217 Ų21795.9 Ų95.994%0.94345%0.446SS*.SBendtrans-58.4-27.1173.3-66.7-173.6178.2-1760112.9
74R88.6Confident91.7Very high221 Ų22196 Ų9683%0.83446%0.457SS*.SBendtrans-122.497.3173.9-64.6-177.5-178167.20.2107.2T72T72-R74 PolarHBondContact O-N 3.38Å; T72-R74 VanDerWaalsContact O-N 3.15Å; T72-R74 VanDerWaalsContact OG1-C 3.29Å; T72-R74 PolarHBondContact OG1-O 2.9Å
75P84.6Confident91.8Very high108 Ų10896.6 Ų96.670%0.70146%0.464SS*.  trans-63.8141.9179.326.7-33.1000109.3T72T72-P75 WeakPolarHBondContact OG1-CA 3.43Å
76S87.2Confident91.8Very high56 Ų5697.6 Ų97.639%0.39248%0.478SS..  trans-114.5156.5173.4-175.50000109.1V78 P79S76-V78 PolarHBondContact O-N 2.8Å; S76-V78 WeakPolarHBondContact OG-CG2 3.36Å; S76-P79 WeakPolarHBondContact O-CD 3.48Å
77V90.3Very high92Very high88 Ų88103.9 Ų103.953%0.53351%0.506SS..SBendtrans-73.4-0.7176.6-68.70000113.3F80 F81V77-F80 WeakPolarHBondContact O-CB 3.25Å; V77-F80 PolarHBondContact O-N 2.96Å; V77-F80 VanDerWaalsContact O-N 3.1Å; V77-F81 HydrophobicContact CB-CD2 4.19Å; V77-F81 HydrophobicContact CB-CE2 4.03Å; V77-F81 HydrophobicContact CG2-CD2 3.91Å; V77-F81 HydrophobicContact CG2-CE2 3.56Å; V77-F81 WeakPolarHBondContact O-CD2 3.5Å; V77-F81 PolarHBondContact O-N 3.43Å
78V92.4Very high92.2Very high36 Ų36102.3 Ų102.322%0.21851%0.509CS..Hα-helixtrans-51.6-44.1-178.4169.50000114.3W69 S76 F80 F81 Q82W69-V78 HydrophobicContact CD2-CB 4.23Å; W69-V78 HydrophobicContact CD2-CG1 3.72Å; W69-V78 HydrophobicContact CE3-CB 3.66Å; W69-V78 HydrophobicContact CE3-CG1 3.6Å; W69-V78 HydrophobicContact CE3-CG2 4.02Å; W69-V78 HydrophobicContact CG-CG1 4.4Å; W69-V78 HydrophobicContact CH2-CB 4.5Å; W69-V78 HydrophobicContact CH2-CG1 3.98Å; W69-V78 HydrophobicContact CH2-CG2 4.26Å; W69-V78 HydrophobicContact CZ2-CG1 4.08Å; W69-V78 HydrophobicContact CZ3-CB 3.83Å; W69-V78 HydrophobicContact CZ3-CG1 3.75Å; W69-V78 HydrophobicContact CZ3-CG2 3.66Å; S76-V78 PolarHBondContact O-N 2.8Å; S76-V78 WeakPolarHBondContact OG-CG2 3.36Å; V78-F80 VanDerWaalsContact C-N 3.28Å; V78-F80 PolarHBondContact O-N 3.36Å; V78-F81 PolarHBondContact O-N 3.23Å; V78-Q82 HydrophobicContact CG1-CG 4.1Å; V78-Q82 VanDerWaalsContact CG1-NE2 3.31Å; V78-Q82 WeakPolarHBondContact O-CG 3.49Å; V78-Q82 PolarHBondContact O-N 3.24Å
79P92.9Very high92.4Very high28 Ų2896 Ų9618%0.18249%0.494CS..Hα-helixtrans-57.9-39.8177.6-26.636.1000113.5Y65 W69 S76 Q82 L83Y65-P79 WeakPolarHBondContact OH-CA 3.41Å; Y65-P79 WeakPolarHBondContact OH-CB 3.39Å; W69-P79 HydrophobicContact CB-CG 3.8Å; S76-P79 WeakPolarHBondContact O-CD 3.48Å; P79-Q82 PolarHBondContact O-N 3.46Å; P79-L83 WeakPolarHBondContact O-CB 3.46Å; P79-L83 PolarHBondContact O-N 3.34Å
80F92.4Very high92.5Very high147 Ų14799.3 Ų99.365%0.64551%0.511SS*.Hα-helixtrans-64.9-47.1178.3-62.8-75.1000110.8V77 V78 Q82 L83 T84V77-F80 WeakPolarHBondContact O-CB 3.25Å; V77-F80 PolarHBondContact O-N 2.96Å; V77-F80 VanDerWaalsContact O-N 3.1Å; V78-F80 VanDerWaalsContact C-N 3.28Å; V78-F80 PolarHBondContact O-N 3.36Å; F80-Q82 PolarHBondContact O-N 2.94Å; F80-L83 WeakPolarHBondContact O-CB 3.06Å; F80-L83 PolarHBondContact O-N 3.27Å; F80-T84 PolarHBondContact O-N 3.18Å; F80-T84 PolarHBondContact O-OG1 3.42Å; F80-T84 VanDerWaalsContact O-OG1 3.08Å
81F95.4Very high92.7Very high116 Ų116104 Ų10451%0.50952%0.52SS..Hα-helixtrans-61.5-44.8176.4-77.4-70.1000112.3V77 V78 L83 T84 F85V77-F81 HydrophobicContact CB-CD2 4.19Å; V77-F81 HydrophobicContact CB-CE2 4.03Å; V77-F81 HydrophobicContact CG2-CD2 3.91Å; V77-F81 HydrophobicContact CG2-CE2 3.56Å; V77-F81 WeakPolarHBondContact O-CD2 3.5Å; V77-F81 PolarHBondContact O-N 3.43Å; V78-F81 PolarHBondContact O-N 3.23Å; F81-L83 VanDerWaalsContact C-N 3.25Å; F81-L83 PolarHBondContact O-N 3.47Å; F81-T84 PolarHBondContact O-N 3.18Å; F81-F85 HydrophobicContact CB-CD2 4.26Å; F81-F85 HydrophobicContact CB-CE2 4.34Å; F81-F85 HydrophobicContact CD1-CE2 4.28Å; F81-F85 WeakPolarHBondContact O-CB 3.46Å; F81-F85 WeakPolarHBondContact O-CD2 3.44Å; F81-F85 PolarHBondContact O-N 3.41Å
82Q94Very high92.9Very high68 Ų68104.8 Ų104.832%0.31852%0.519SS..Hα-helixtrans-58.8-39.5177.3-74.6168.4-17.700111.9Y65 V78 P79 F80 S86Y65-Q82 PolarHBondContact OH-OE1 3.22Å; V78-Q82 HydrophobicContact CG1-CG 4.1Å; V78-Q82 VanDerWaalsContact CG1-NE2 3.31Å; V78-Q82 WeakPolarHBondContact O-CG 3.49Å; V78-Q82 PolarHBondContact O-N 3.24Å; P79-Q82 PolarHBondContact O-N 3.46Å; F80-Q82 PolarHBondContact O-N 2.94Å; Q82-S86 VanDerWaalsContact O-CB 3.29Å; Q82-S86 WeakPolarHBondContact O-CB 3.42Å; Q82-S86 PolarHBondContact O-N 2.98Å; Q82-S86 PolarHBondContact O-OG 2.99Å
83L94.4Very high93Very high98 Ų98110 Ų11051%0.51354%0.538SS..Hα-helixtrans-66.9-48.1175.7-174.265.1000111.6P79 F80 F81 F85 S86 F87P79-L83 WeakPolarHBondContact O-CB 3.46Å; P79-L83 PolarHBondContact O-N 3.34Å; F80-L83 WeakPolarHBondContact O-CB 3.06Å; F80-L83 PolarHBondContact O-N 3.27Å; F81-L83 VanDerWaalsContact C-N 3.25Å; F81-L83 PolarHBondContact O-N 3.47Å; L83-F85 PolarHBondContact O-N 3.37Å; L83-S86 WeakPolarHBondContact O-CB 3.49Å; L83-S86 PolarHBondContact O-N 3.05Å; L83-F87 HydrophobicContact CD1-CD2 4.13Å; L83-F87 HydrophobicContact CD1-CE2 3.5Å; L83-F87 VanDerWaalsContact CD1-CE2 3.5Å; L83-F87 HydrophobicContact CD1-CZ 4.05Å; L83-F87 HydrophobicContact CD2-CE2 4.09Å; L83-F87 HydrophobicContact CG-CD2 3.93Å; L83-F87 HydrophobicContact CG-CE2 3.53Å; L83-F87 VanDerWaalsContact O-CD2 3.24Å; L83-F87 WeakPolarHBondContact O-CD2 3.23Å; L83-F87 PolarHBondContact O-N 2.76Å
84T96.5Very high93.1Very high91 Ų91103.6 Ų103.656%0.55852%0.521SS*.Hα-helixtrans-59.7-46176.9-57.50000111.8F80 F81 S86 F87 A88F80-T84 PolarHBondContact O-N 3.18Å; F80-T84 PolarHBondContact O-OG1 3.42Å; F80-T84 VanDerWaalsContact O-OG1 3.08Å; F81-T84 PolarHBondContact O-N 3.18Å; T84-S86 VanDerWaalsContact C-N 3.29Å; T84-S86 PolarHBondContact O-N 3.08Å; T84-F87 PolarHBondContact O-N 3.47Å; T84-A88 WeakPolarHBondContact O-CB 3.5Å; T84-A88 PolarHBondContact O-N 2.98Å
85F96.6Very high93.2Very high146 Ų14694.7 Ų94.764%0.6449%0.49SS*.Hα-helixtrans-63.5-36.4176.3-82.7-66.3000112F81 L83 A88 A89F81-F85 HydrophobicContact CB-CD2 4.26Å; F81-F85 HydrophobicContact CB-CE2 4.34Å; F81-F85 HydrophobicContact CD1-CE2 4.28Å; F81-F85 WeakPolarHBondContact O-CB 3.46Å; F81-F85 WeakPolarHBondContact O-CD2 3.44Å; F81-F85 PolarHBondContact O-N 3.41Å; L83-F85 PolarHBondContact O-N 3.37Å; F85-A88 PolarHBondContact O-N 3.26Å; F85-A89 VanDerWaalsContact O-CB 3.25Å; F85-A89 WeakPolarHBondContact O-CB 3.29Å; F85-A89 PolarHBondContact O-N 2.92Å
86S95.6Very high93.3Very high75 Ų7594.7 Ų94.752%0.52448%0.477SS..Hα-helixtrans-64.3-43.2176-62.60000111.4Q82 L83 T84 F90Q82-S86 VanDerWaalsContact O-CB 3.29Å; Q82-S86 WeakPolarHBondContact O-CB 3.42Å; Q82-S86 PolarHBondContact O-N 2.98Å; Q82-S86 PolarHBondContact O-OG 2.99Å; L83-S86 WeakPolarHBondContact O-CB 3.49Å; L83-S86 PolarHBondContact O-N 3.05Å; T84-S86 VanDerWaalsContact C-N 3.29Å; T84-S86 PolarHBondContact O-N 3.08Å; S86-F90 WeakPolarHBondContact O-CB 3.47Å; S86-F90 PolarHBondContact O-N 3.39Å
87F97Very high93.1Very high134 Ų13495.9 Ų95.959%0.58849%0.49SS*.Hα-helixtrans-67.6-41.3174.3-73.5-56.6000113L83 T84 F90 R91L83-F87 HydrophobicContact CD1-CD2 4.13Å; L83-F87 HydrophobicContact CD1-CE2 3.5Å; L83-F87 VanDerWaalsContact CD1-CE2 3.5Å; L83-F87 HydrophobicContact CD1-CZ 4.05Å; L83-F87 HydrophobicContact CD2-CE2 4.09Å; L83-F87 HydrophobicContact CG-CD2 3.93Å; L83-F87 HydrophobicContact CG-CE2 3.53Å; L83-F87 VanDerWaalsContact O-CD2 3.24Å; L83-F87 WeakPolarHBondContact O-CD2 3.23Å; L83-F87 PolarHBondContact O-N 2.76Å; T84-F87 PolarHBondContact O-N 3.47Å; F87-F90 PolarHBondContact O-N 3.27Å; F87-R91 PolarHBondContact O-N 3.4Å
88A96.2Very high92.8Very high54 Ų5497 Ų9745%0.44649%0.489SS..Hα-helixtrans-62-44.2176.100000111.6T84 F85 R91 Y92T84-A88 WeakPolarHBondContact O-CB 3.5Å; T84-A88 PolarHBondContact O-N 2.98Å; F85-A88 PolarHBondContact O-N 3.26Å; A88-R91 PolarHBondContact O-N 2.95Å; A88-Y92 WeakPolarHBondContact O-CB 3.14Å; A88-Y92 PolarHBondContact O-N 3.45Å
89A95.6Very high92.1Very high43 Ų4398.8 Ų98.836%0.35550%0.495SS..Hα-helixtrans-63.4-44.5175.800000111.6F85 R91 Y92 F93F85-A89 VanDerWaalsContact O-CB 3.25Å; F85-A89 WeakPolarHBondContact O-CB 3.29Å; F85-A89 PolarHBondContact O-N 2.92Å; A89-R91 PolarHBondContact O-N 3.42Å; A89-Y92 PolarHBondContact O-N 3.06Å; A89-F93 HydrophobicContact CB-CE2 4.45Å; A89-F93 WeakPolarHBondContact O-CD2 3.28Å; A89-F93 PolarHBondContact O-N 3.04Å
90F95.2Very high91.4Very high145 Ų145105.5 Ų105.564%0.63652%0.517SS*.Hα-helixtrans-57.1-49.1175.8-179.6-97.9000111.5S86 F87 Y92 F93 S94S86-F90 WeakPolarHBondContact O-CB 3.47Å; S86-F90 PolarHBondContact O-N 3.39Å; F87-F90 PolarHBondContact O-N 3.27Å; F90-Y92 VanDerWaalsContact C-N 3.34Å; F90-Y92 PolarHBondContact O-N 3.27Å; F90-F93 PolarHBondContact O-N 3.32Å; F90-S94 PolarHBondContact O-N 3.28Å; F90-S94 PolarHBondContact O-OG 2.86Å
91R94.1Very high90.6Very high176 Ų176101.8 Ų101.866%0.66451%0.509SS*.Hα-helixtrans-58.8-44.7176-176.7-173.1158.393.411.8111.6F87 A88 A89 F93 S94 D95F87-R91 PolarHBondContact O-N 3.4Å; A88-R91 PolarHBondContact O-N 2.95Å; A89-R91 PolarHBondContact O-N 3.42Å; R91-F93 VanDerWaalsContact C-N 3.32Å; R91-F93 PolarHBondContact O-N 3.41Å; R91-S94 PolarHBondContact O-N 3.29Å; R91-D95 VanDerWaalsContact O-CB 3.23Å; R91-D95 WeakPolarHBondContact O-CB 3.32Å; R91-D95 PolarHBondContact O-N 3.49Å
92Y92.8Very high89.4Confident112 Ų112101.4 Ų101.444%0.43951%0.509SS..Hα-helixtrans-59.7-41.5179.1179.4-96.3000112.4A88 A89 F90 D95 Y96A88-Y92 WeakPolarHBondContact O-CB 3.14Å; A88-Y92 PolarHBondContact O-N 3.45Å; A89-Y92 PolarHBondContact O-N 3.06Å; F90-Y92 VanDerWaalsContact C-N 3.34Å; F90-Y92 PolarHBondContact O-N 3.27Å; Y92-D95 CarbonylContact O-C 3.59Å; Y92-D95 PolarHBondContact O-N 3.25Å; Y92-Y96 AromaticContact CE1-CD2 3.82Å; Y92-Y96 HydrophobicContact CE1-CD2 3.82Å; Y92-Y96 HydrophobicContact CE1-CE2 4.1Å; Y92-Y96 WeakPolarHBondContact O-CA 3.44Å; Y92-Y96 PolarHBondContact O-N 2.83Å; Y92-Y96 VanDerWaalsContact O-N 3.08Å
93F92.1Very high88Confident151 Ų151105.7 Ų105.766%0.66253%0.526SS*.Hα-helixtrans-69.9-39.4176.5-73.1-62000112.7A89 F90 R91 D95 Y96A89-F93 HydrophobicContact CB-CE2 4.45Å; A89-F93 WeakPolarHBondContact O-CD2 3.28Å; A89-F93 PolarHBondContact O-N 3.04Å; F90-F93 PolarHBondContact O-N 3.32Å; R91-F93 VanDerWaalsContact C-N 3.32Å; R91-F93 PolarHBondContact O-N 3.41Å; F93-D95 VanDerWaalsContact C-N 3.27Å; F93-D95 PolarHBondContact O-N 3.17Å; F93-Y96 WeakPolarHBondContact O-CB 3.46Å; F93-Y96 PolarHBondContact O-N 2.85Å
94S91.6Very high86.7Confident82 Ų82108 Ų10857%0.57353%0.534SS*.Hα-helixtrans-62.4-37.3174.4-620000112.2F90 R91 Y96F90-S94 PolarHBondContact O-N 3.28Å; F90-S94 PolarHBondContact O-OG 2.86Å; R91-S94 PolarHBondContact O-N 3.29Å; S94-Y96 VanDerWaalsContact C-N 3.33Å
95D90.4Very high85.4Confident35 Ų35106 Ų10619%0.18752%0.523CS..THydrogen-bonded Turntrans-92.99.3-177-160.426.6000113.1R91 Y92 F93 A97 E98 H99R91-D95 VanDerWaalsContact O-CB 3.23Å; R91-D95 WeakPolarHBondContact O-CB 3.32Å; R91-D95 PolarHBondContact O-N 3.49Å; Y92-D95 CarbonylContact O-C 3.59Å; Y92-D95 PolarHBondContact O-N 3.25Å; F93-D95 VanDerWaalsContact C-N 3.27Å; F93-D95 PolarHBondContact O-N 3.17Å; D95-A97 VanDerWaalsContact C-N 3.25Å; D95-A97 PolarHBondContact O-N 3.2Å; D95-E98 PolarHBondContact O-N 3.45Å; D95-E98 VanDerWaalsContact OD1-CB 3.32Å; D95-E98 WeakPolarHBondContact OD1-CB 3.48Å; D95-H99 PolarHBondContact O-N 3.24Å; D95-H99 PolarHBondContact O-ND1 3.26Å; D95-H99 IonicContact OD2-CE1 3.18Å; D95-H99 PolarHBondContact OD2-CE1 3.37Å; D95-H99 IonicContact OD2-ND1 3.83Å; D95-H99 IonicContact OD2-NE2 3.82Å
96Y87.1Confident84Confident108 Ų108107.1 Ų107.142%0.42453%0.528SS..Hα-helixtrans-66.6-29.1-171.4-169.8-106.6000112.9Y92 F93 S94 R100Y92-Y96 AromaticContact CE1-CD2 3.82Å; Y92-Y96 HydrophobicContact CE1-CD2 3.82Å; Y92-Y96 HydrophobicContact CE1-CE2 4.1Å; Y92-Y96 WeakPolarHBondContact O-CA 3.44Å; Y92-Y96 PolarHBondContact O-N 2.83Å; Y92-Y96 VanDerWaalsContact O-N 3.08Å; F93-Y96 WeakPolarHBondContact O-CB 3.46Å; F93-Y96 PolarHBondContact O-N 2.85Å; S94-Y96 VanDerWaalsContact C-N 3.33Å; Y96-R100 WeakPolarHBondContact O-CB 3.34Å; Y96-R100 PolarHBondContact O-N 3.04Å
97A83.6Confident82.8Confident81 Ų81112.8 Ų112.867%0.66954%0.54SS*.Hα-helixtrans-64.9-42.6176.300000111.9D95 R100 S101D95-A97 VanDerWaalsContact C-N 3.25Å; D95-A97 PolarHBondContact O-N 3.2Å; A97-R100 PolarHBondContact O-N 3.29Å; A97-S101 PolarHBondContact O-N 2.52Å; A97-S101 VanDerWaalsContact O-N 3.07Å
98E82.1Confident80.9Confident112 Ų112116.6 Ų116.652%0.52356%0.559SS.*Hα-helixtrans-67.1-45.9178.8-166.7164.8161.800110.6D95 R100 S101 H102D95-E98 PolarHBondContact O-N 3.45Å; D95-E98 VanDerWaalsContact OD1-CB 3.32Å; D95-E98 WeakPolarHBondContact OD1-CB 3.48Å; E98-R100 VanDerWaalsContact C-N 3.25Å; E98-R100 PolarHBondContact O-N 3.24Å; E98-S101 WeakPolarHBondContact O-CB 3.33Å; E98-S101 PolarHBondContact O-N 3.42Å; E98-S101 PolarHBondContact O-OG 3.2Å; E98-H102 PolarHBondContact O-N 3.21Å
99H79.2Confident80.1Confident73 Ų73119.8 Ų119.834%0.33856%0.564SS.*Hα-helixtrans-58.1-35.2173.5-68.1113.1000113.3D95 K103D95-H99 PolarHBondContact O-N 3.24Å; D95-H99 PolarHBondContact O-ND1 3.26Å; D95-H99 IonicContact OD2-CE1 3.18Å; D95-H99 PolarHBondContact OD2-CE1 3.37Å; D95-H99 IonicContact OD2-ND1 3.83Å; D95-H99 IonicContact OD2-NE2 3.82Å; H99-K103 PolarHBondContact O-N 3.5Å
100R78.6Confident79.3Confident168 Ų168123.8 Ų123.863%0.63458%0.575SS**Hα-helixtrans-70.1-35.5175.3-169-177.7-169.7-172.93.2111.9Y96 A97 E98 K103 H104Y96-R100 WeakPolarHBondContact O-CB 3.34Å; Y96-R100 PolarHBondContact O-N 3.04Å; A97-R100 PolarHBondContact O-N 3.29Å; E98-R100 VanDerWaalsContact C-N 3.25Å; E98-R100 PolarHBondContact O-N 3.24Å; R100-K103 PolarHBondContact O-N 3.07Å; R100-H104 PolarHBondContact O-ND1 3Å
101S75Confident78.4Confident69 Ų69122.6 Ų122.648%0.48357%0.572SS.*Hα-helixtrans-66.7-42176.779.10000111.5A97 E98 K103 H104 S105A97-S101 PolarHBondContact O-N 2.52Å; A97-S101 VanDerWaalsContact O-N 3.07Å; E98-S101 WeakPolarHBondContact O-CB 3.33Å; E98-S101 PolarHBondContact O-N 3.42Å; E98-S101 PolarHBondContact O-OG 3.2Å; S101-K103 PolarHBondContact O-N 3.01Å; S101-H104 PolarHBondContact O-N 2.67Å; S101-S105 PolarHBondContact O-N 2.92Å
102H69.2Low77.5Confident109 Ų109119.5 Ų119.551%0.50557%0.567SS.*Hα-helixtrans-59.2-31.1176.7-89.4-73.5000113.3E98 H104 S105E98-H102 PolarHBondContact O-N 3.21Å; H102-H104 PolarHBondContact O-N 3Å; H102-S105 PolarHBondContact O-N 3.11Å; H102-S105 VanDerWaalsContact O-N 3.11Å
103K65.7Low76.5Confident158 Ų158119.9 Ų119.969%0.68757%0.574SS**THydrogen-bonded Turntrans-63-25.5174.3-64.6-173.4-164.9-175.50113.5H99 R100 S101H99-K103 PolarHBondContact O-N 3.5Å; R100-K103 PolarHBondContact O-N 3.07Å; S101-K103 PolarHBondContact O-N 3.01Å
104H67.2Low75.5Confident146 Ų146117.9 Ų117.968%0.67657%0.569SS**THydrogen-bonded Turntrans-95.3-11.8177.4-59.388.1000112.2R100 S101 H102 K106R100-H104 PolarHBondContact O-ND1 3Å; S101-H104 PolarHBondContact O-N 2.67Å; H102-H104 PolarHBondContact O-N 3Å; H104-K106 PolarHBondContact O-N 3.01Å
105S68.1Low74.4Confident48 Ų48120.4 Ų120.434%0.33657%0.568SS.*  trans-72.298.1173.1-168.80000109S101 H102 H108S101-S105 PolarHBondContact O-N 2.92Å; H102-S105 PolarHBondContact O-N 3.11Å; H102-S105 VanDerWaalsContact O-N 3.11Å; S105-H108 WeakPolarHBondContact CB-OXT 3.44Å; S105-H108 PolarHBondContact OG-N 3.24Å; S105-H108 PolarHBondContact OG-OXT 3.45Å
106K68.1Low73.1Confident171 Ų171127 Ų12774%0.74360%0.598SS**SBendtrans-86.5-14.8-178.8-140.5178.5-172.1-177.40112.6H104H104-K106 PolarHBondContact O-N 3.01Å
107Y69.2Low72Confident194 Ų194128.6 Ų128.676%0.76161%0.612SS**  trans-136.7-1.8-166.3-59.3-65000115.3
108H57.5Low70.9Confident214 Ų214132.9 Ų132.999%0.99161%0.607SS**  trans-136.20170.5-65.4-58.7000110S105S105-H108 WeakPolarHBondContact CB-OXT 3.44Å; S105-H108 PolarHBondContact OG-N 3.24Å; S105-H108 PolarHBondContact OG-OXT 3.45Å

Retrieved 108 of 108 residues in 31.3 ms (Link to these results)

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