G4LVV7_SCHMA Loading...

DUF2088 domain-containing protein

AlphaFold DB , UniProt , Accession G4LVV7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 75 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
1M40.9Very low50.9Low239 Ų239115 Ų115100%1.17762%0.617SS**  0112.10-73.3163.484.500107.6
2L46.1Very low52Low171 Ų171106 Ų10690%0.89557%0.568SS**  trans168.4123.4136.3-89.9168.5000106.6N4L2-N4 PolarHBondContact O-N 3.41Å; L2-N4 VanDerWaalsContact O-N 3.14Å
3H48.6Very low53Low174 Ų174104.2 Ų104.281%0.80656%0.563SS**  trans-32.6109.1-179.9-112.1138.4000113.3H5H3-H5 HydrophobicContact CB-CB 4.46Å; H3-H5 PolarHBondContact O-N 3.18Å
4N46.2Very low54Low156 Ų156110.7 Ų110.783%0.83458%0.578SS**  trans-69.981.1139.1-79.837.6000104.6L2 P6L2-N4 PolarHBondContact O-N 3.41Å; L2-N4 VanDerWaalsContact O-N 3.14Å; N4-P6 VanDerWaalsContact C-CD 3.46Å; N4-P6 WeakPolarHBondContact O-CD 3.29Å
5H53.2Low55.7Low115 Ų115103.3 Ų103.353%0.53254%0.539SS..  trans-78.3103.6151.6-172.6-141.4000103.3H3 F7H3-H5 HydrophobicContact CB-CB 4.46Å; H3-H5 PolarHBondContact O-N 3.18Å; H5-F7 AromaticContact CE1-CD2 3.01Å; H5-F7 WeakPolarHBondContact CE1-CD2 3.13Å; H5-F7 AromaticContact CE1-CE2 3.73Å; H5-F7 AromaticContact CE1-CG 3.48Å; H5-F7 VanDerWaalsContact CE1-CG 3.48Å; H5-F7 WeakPolarHBondContact CE1-CG 3.29Å; H5-F7 WeakPolarHBondContact ND1-CB 3.45Å; H5-F7 AromaticContact ND1-CD2 3.73Å; H5-F7 AromaticContact ND1-CG 3.72Å; H5-F7 AromaticContact NE2-CD2 3.65Å; H5-F7 PolarHBondContact O-N 3.5Å
6P47.8Very low57.4Low112 Ų112103 Ų10373%0.72755%0.545SS*.  trans-70.363.8162.634.7-35.8000106.4N4 S8N4-P6 VanDerWaalsContact C-CD 3.46Å; N4-P6 WeakPolarHBondContact O-CD 3.29Å; P6-S8 PolarHBondContact O-N 2.85Å
7F50.7Low59.1Low89 Ų8997.6 Ų97.639%0.3952%0.516SS..  trans-67.378.1146.4-132.9-130.6000104.5H5 S9 D69H5-F7 AromaticContact CE1-CD2 3.01Å; H5-F7 WeakPolarHBondContact CE1-CD2 3.13Å; H5-F7 AromaticContact CE1-CE2 3.73Å; H5-F7 AromaticContact CE1-CG 3.48Å; H5-F7 VanDerWaalsContact CE1-CG 3.48Å; H5-F7 WeakPolarHBondContact CE1-CG 3.29Å; H5-F7 WeakPolarHBondContact ND1-CB 3.45Å; H5-F7 AromaticContact ND1-CD2 3.73Å; H5-F7 AromaticContact ND1-CG 3.72Å; H5-F7 AromaticContact NE2-CD2 3.65Å; H5-F7 PolarHBondContact O-N 3.5Å; F7-S9 PolarHBondContact O-N 3.3Å; F7-D69 WeakPolarHBondContact CE1-OD2 3.01Å
8S50.2Low60.4Low110 Ų11092.2 Ų92.277%0.76949%0.487SS*.  trans-55.687.8144.9-175.90000103.5P6 S10P6-S8 PolarHBondContact O-N 2.85Å; S8-S10 VanDerWaalsContact C-N 3.32Å; S8-S10 PolarHBondContact O-N 3.23Å
9S53.9Low61.7Low24 Ų2497.5 Ų97.517%0.16850%0.5CS..  trans-64.1100.3-162.965.30000105.5F7 W11 K30F7-S9 PolarHBondContact O-N 3.3Å; S9-W11 PolarHBondContact O-N 3.27Å; S9-W11 VanDerWaalsContact OG-CD1 3.24Å; S9-W11 PolarHBondContact OG-NE1 2.81Å; S9-K30 WeakPolarHBondContact OG-CE 3.25Å; S9-K30 PolarHBondContact OG-NZ 3.28Å
10S59.4Low62.9Low63 Ų63100.9 Ų100.944%0.44151%0.506SS..G310 helixtrans-72.13.5-171.2-165.50000111.5S8 M12 V13S8-S10 VanDerWaalsContact C-N 3.32Å; S8-S10 PolarHBondContact O-N 3.23Å; S10-M12 PolarHBondContact O-N 2.79Å; S10-M12 VanDerWaalsContact O-N 3.08Å; S10-V13 WeakPolarHBondContact O-CB 3.11Å; S10-V13 WeakPolarHBondContact O-CG2 3.38Å; S10-V13 PolarHBondContact O-N 2.84Å; S10-V13 VanDerWaalsContact OG-CG2 3.25Å; S10-V13 WeakPolarHBondContact OG-CG2 3.22Å
11W63.4Low64Low12 Ų1296.4 Ų96.45%0.04548%0.483CS..G310 helixtrans-53.6-34.6-176.773.2-95.6000112.9S9 V13 K30 I33 M62 Q65 L66 D69S9-W11 PolarHBondContact O-N 3.27Å; S9-W11 VanDerWaalsContact OG-CD1 3.24Å; S9-W11 PolarHBondContact OG-NE1 2.81Å; W11-V13 PolarHBondContact O-N 2.91Å; W11-K30 HydrophobicContact CZ2-CG 3.86Å; W11-I33 HydrophobicContact CH2-CD1 3.18Å; W11-I33 HydrophobicContact CZ2-CD1 3.86Å; W11-I33 HydrophobicContact CZ3-CD1 3.99Å; W11-M62 HydrophobicContact CH2-CE 4.41Å; W11-M62 HydrophobicContact CZ3-CB 4.17Å; W11-M62 HydrophobicContact CZ3-CG 4.26Å; W11-Q65 HydrophobicContact CB-CB 4.37Å; W11-Q65 HydrophobicContact CE3-CB 3.91Å; W11-Q65 PolarHBondContact O-OE1 3.29Å; W11-Q65 VanDerWaalsContact O-OE1 3.11Å; W11-L66 HydrophobicContact CD2-CD2 3.91Å; W11-L66 HydrophobicContact CD2-CG 3.86Å; W11-L66 HydrophobicContact CE3-CD1 4.47Å; W11-L66 HydrophobicContact CE3-CD2 4.46Å; W11-L66 HydrophobicContact CE3-CG 3.89Å; W11-L66 HydrophobicContact CG-CD2 4.18Å; W11-L66 HydrophobicContact CG-CG 4.48Å; W11-L66 HydrophobicContact CH2-CD1 4Å; W11-L66 HydrophobicContact CH2-CG 4.26Å; W11-L66 HydrophobicContact CZ2-CD1 4.06Å; W11-L66 HydrophobicContact CZ2-CD2 4.23Å; W11-L66 HydrophobicContact CZ2-CG 4.18Å; W11-L66 HydrophobicContact CZ3-CD1 4.17Å; W11-L66 HydrophobicContact CZ3-CG 4.09Å; W11-D69 HydrophobicContact CB-CB 4.14Å
12M64Low66.2Low7 Ų788.4 Ų88.43%0.03445%0.451CS..G310 helixtrans-83.72.3178.3-70.7-178.1103.100115.1S10 Y14 T18 L21 K26 M62S10-M12 PolarHBondContact O-N 2.79Å; S10-M12 VanDerWaalsContact O-N 3.08Å; M12-Y14 VanDerWaalsContact C-N 3.29Å; M12-Y14 PolarHBondContact O-N 2.95Å; M12-T18 HydrophobicContact CB-CG2 4.14Å; M12-T18 HydrophobicContact CE-CG2 3.28Å; M12-T18 HydrophobicContact CG-CG2 3.98Å; M12-T18 PolarHBondContact O-OG1 2.88Å; M12-T18 HydrophobicContact SD-CG2 4.4Å; M12-L21 HydrophobicContact CE-CD1 3.5Å; M12-K26 HydrophobicContact CB-CD 4.07Å; M12-K26 HydrophobicContact CE-CB 4.15Å; M12-K26 HydrophobicContact CE-CG 3.78Å; M12-K26 HydrophobicContact SD-CB 3.3Å; M12-K26 WeakPolarHBondContact SD-CB 3.41Å; M12-K26 HydrophobicContact SD-CD 3.85Å; M12-K26 HydrophobicContact SD-CG 3.33Å; M12-K26 WeakPolarHBondContact SD-CG 3.32Å; M12-M62 HydrophobicContact CE-CE 4.22Å
13V65.1Low68Low83 Ų8384.7 Ų84.750%0.50344%0.44SS..G310 helixtrans-73.2-27.5-179.2178.40000111.6S10 W11S10-V13 WeakPolarHBondContact O-CB 3.11Å; S10-V13 WeakPolarHBondContact O-CG2 3.38Å; S10-V13 PolarHBondContact O-N 2.84Å; S10-V13 VanDerWaalsContact OG-CG2 3.25Å; S10-V13 WeakPolarHBondContact OG-CG2 3.22Å; W11-V13 PolarHBondContact O-N 2.91Å
14Y66.9Low69.8Low195 Ų19583.6 Ų83.677%0.76544%0.435SS*.SBendtrans-87.1-21.3-173.3-73.5-78.8000114.9M12 P16 Q65M12-Y14 VanDerWaalsContact C-N 3.29Å; M12-Y14 PolarHBondContact O-N 2.95Å; Y14-P16 WeakPolarHBondContact O-CD 3.42Å; Y14-Q65 VanDerWaalsContact CB-NE2 3.27Å
15N78.8Confident71.8Confident0 Ų077.8 Ų77.80%040%0.403CS..  trans-84124.6-179.9-176.8-19.5000110.3W17 T18 D58 T61 M62N15-W17 VanDerWaalsContact C-N 3.25Å; N15-W17 PolarHBondContact O-N 3.14Å; N15-W17 WeakPolarHBondContact OD1-CB 3.4Å; N15-W17 PolarHBondContact OD1-N 3.43Å; N15-T18 HydrophobicContact CB-CG2 3.65Å; N15-T18 WeakPolarHBondContact CB-OG1 3.38Å; N15-T18 PolarHBondContact O-N 3.42Å; N15-T18 PolarHBondContact O-OG1 3.05Å; N15-D58 PolarHBondContact ND2-O 3.29Å; N15-T61 HydrophobicContact CB-CG2 4.35Å; N15-M62 WeakPolarHBondContact ND2-CG 3.46Å
16P83.4Confident73.4Confident98 Ų9874.6 Ų74.664%0.63639%0.387SS*.THydrogen-bonded Turntrans-58.4-36.4175.7-24.834.9000113.4Y14 R19Y14-P16 WeakPolarHBondContact O-CD 3.42Å; P16-R19 WeakPolarHBondContact O-CB 3.42Å; P16-R19 PolarHBondContact O-N 3.27Å
17W86.2Confident75.1Confident11 Ų1175 Ų754%0.04238%0.38CS..G310 helixtrans-67.8-37.6-179.6-179.890.5000112.1N15 R19 R20 L21 L29 I46 K52 Q53 V54 D58 M62N15-W17 VanDerWaalsContact C-N 3.25Å; N15-W17 PolarHBondContact O-N 3.14Å; N15-W17 WeakPolarHBondContact OD1-CB 3.4Å; N15-W17 PolarHBondContact OD1-N 3.43Å; W17-R19 PolarHBondContact O-N 2.93Å; W17-R20 VanDerWaalsContact O-CB 3.24Å; W17-R20 WeakPolarHBondContact O-CB 3.17Å; W17-R20 WeakPolarHBondContact O-CG 3.33Å; W17-R20 PolarHBondContact O-N 3.47Å; W17-L21 HydrophobicContact CE3-CD1 4.06Å; W17-L21 HydrophobicContact CE3-CG 4.49Å; W17-L21 HydrophobicContact CH2-CD1 3.59Å; W17-L21 HydrophobicContact CH2-CD2 3.83Å; W17-L21 HydrophobicContact CH2-CG 3.97Å; W17-L21 HydrophobicContact CZ2-CD2 4.23Å; W17-L21 HydrophobicContact CZ3-CD1 3.29Å; W17-L21 HydrophobicContact CZ3-CD2 4.34Å; W17-L21 HydrophobicContact CZ3-CG 3.96Å; W17-L29 HydrophobicContact CH2-CD1 4.24Å; W17-L29 HydrophobicContact CZ3-CD1 4.45Å; W17-I46 HydrophobicContact CH2-CB 4.44Å; W17-I46 HydrophobicContact CH2-CD1 4.11Å; W17-I46 HydrophobicContact CH2-CG1 4.31Å; W17-I46 HydrophobicContact CH2-CG2 3.31Å; W17-I46 HydrophobicContact CZ2-CG2 3.44Å; W17-I46 VanDerWaalsContact CZ2-CG2 3.44Å; W17-I46 HydrophobicContact CZ3-CD1 4.36Å; W17-I46 HydrophobicContact CZ3-CG2 4.48Å; W17-K52 HydrophobicContact CZ2-CB 4.25Å; W17-Q53 PolarHBondContact NE1-O 3.36Å; W17-V54 HydrophobicContact CD2-CB 4.36Å; W17-V54 HydrophobicContact CD2-CG2 3.88Å; W17-V54 HydrophobicContact CE3-CG2 4.17Å; W17-V54 HydrophobicContact CG-CG2 4.39Å; W17-V54 HydrophobicContact CH2-CB 4.29Å; W17-V54 HydrophobicContact CH2-CG2 4.24Å; W17-V54 HydrophobicContact CZ2-CB 3.65Å; W17-V54 HydrophobicContact CZ2-CG2 3.93Å; W17-V54 HydrophobicContact CZ3-CG2 4.32Å; W17-D58 HydrophobicContact CB-CB 4.08Å; W17-D58 WeakPolarHBondContact CB-OD1 3.42Å; W17-D58 HydrophobicContact CG-CB 4.23Å; W17-M62 HydrophobicContact CE3-SD 3.81Å; W17-M62 HydrophobicContact CZ3-CE 3.9Å; W17-M62 HydrophobicContact CZ3-SD 3.67Å
18T82.4Confident76.8Confident0 Ų075 Ų750%038%0.383CS..G310 helixtrans-68.5-16.7180590000112.3M12 N15 R20 L21 K26 M62M12-T18 HydrophobicContact CB-CG2 4.14Å; M12-T18 HydrophobicContact CE-CG2 3.28Å; M12-T18 HydrophobicContact CG-CG2 3.98Å; M12-T18 PolarHBondContact O-OG1 2.88Å; M12-T18 HydrophobicContact SD-CG2 4.4Å; N15-T18 HydrophobicContact CB-CG2 3.65Å; N15-T18 WeakPolarHBondContact CB-OG1 3.38Å; N15-T18 PolarHBondContact O-N 3.42Å; N15-T18 PolarHBondContact O-OG1 3.05Å; T18-R20 PolarHBondContact O-N 3.48Å; T18-L21 WeakPolarHBondContact O-CB 3.31Å; T18-L21 PolarHBondContact O-N 2.92Å; T18-L21 VanDerWaalsContact O-N 3.1Å; T18-K26 WeakPolarHBondContact O-CE 3.33Å; T18-K26 PolarHBondContact O-NZ 2.83Å; T18-M62 HydrophobicContact CG2-CG 4.34Å
19R84.6Confident78.5Confident194 Ų19469.8 Ų69.873%0.73235%0.347SS*.G310 helixtrans-64.7-21.6169.1-62.8-176.2179.9-179.2-0.4113P16 W17 L21P16-R19 WeakPolarHBondContact O-CB 3.42Å; P16-R19 PolarHBondContact O-N 3.27Å; W17-R19 PolarHBondContact O-N 2.93Å; R19-L21 PolarHBondContact O-N 2.89Å
20R87.2Confident80Confident164 Ų16470.8 Ų70.862%0.61935%0.348SS*.G310 helixtrans-79.2-7.6175.2-51.9177.574.6179.33.2112.5W17 T18 K52W17-R20 VanDerWaalsContact O-CB 3.24Å; W17-R20 WeakPolarHBondContact O-CB 3.17Å; W17-R20 WeakPolarHBondContact O-CG 3.33Å; W17-R20 PolarHBondContact O-N 3.47Å; T18-R20 PolarHBondContact O-N 3.48Å; R20-K52 WeakPolarHBondContact O-CE 3.42Å; R20-K52 PolarHBondContact O-NZ 3.44Å
21L85.2Confident81.3Confident7 Ų770.5 Ų70.54%0.03735%0.345CS..SBendtrans-99.3136.9179.1-60.9178.1000111M12 W17 T18 R19 E25 K26 L29 T50 K52M12-L21 HydrophobicContact CE-CD1 3.5Å; W17-L21 HydrophobicContact CE3-CD1 4.06Å; W17-L21 HydrophobicContact CE3-CG 4.49Å; W17-L21 HydrophobicContact CH2-CD1 3.59Å; W17-L21 HydrophobicContact CH2-CD2 3.83Å; W17-L21 HydrophobicContact CH2-CG 3.97Å; W17-L21 HydrophobicContact CZ2-CD2 4.23Å; W17-L21 HydrophobicContact CZ3-CD1 3.29Å; W17-L21 HydrophobicContact CZ3-CD2 4.34Å; W17-L21 HydrophobicContact CZ3-CG 3.96Å; T18-L21 WeakPolarHBondContact O-CB 3.31Å; T18-L21 PolarHBondContact O-N 2.92Å; T18-L21 VanDerWaalsContact O-N 3.1Å; R19-L21 PolarHBondContact O-N 2.89Å; L21-E25 WeakPolarHBondContact CA-OE2 3.31Å; L21-E25 HydrophobicContact CB-CB 4.1Å; L21-E25 HydrophobicContact CD2-CB 4.1Å; L21-K26 HydrophobicContact CB-CG 3.76Å; L21-K26 HydrophobicContact CD1-CG 4.29Å; L21-K26 VanDerWaalsContact O-CE 3.24Å; L21-K26 WeakPolarHBondContact O-CE 3.2Å; L21-L29 HydrophobicContact CD1-CD1 3.53Å; L21-L29 HydrophobicContact CD2-CD1 4.41Å; L21-T50 HydrophobicContact CD2-CG2 4Å; L21-K52 HydrophobicContact CD2-CD 3.77Å
22S86.8Confident82.4Confident71 Ų7170 Ų7050%0.49734%0.344SS..  trans-64.3154.7165.4-63.40000110.5E24 E25 K26S22-E24 PolarHBondContact O-N 3.24Å; S22-E25 WeakPolarHBondContact CB-OE2 3.46Å; S22-E25 PolarHBondContact N-OE2 2.71Å; S22-E25 PolarHBondContact O-N 2.64Å; S22-E25 PolarHBondContact OG-OE2 2.94Å; S22-K26 WeakPolarHBondContact O-CG 3.4Å; S22-K26 PolarHBondContact O-N 2.77Å
23S83.7Confident83.4Confident94 Ų9470.1 Ų70.166%0.65734%0.344SS*.Hα-helixtrans-54.7-37.1176.5-57.70000112.6K26 E27S23-K26 WeakPolarHBondContact O-CB 3.42Å; S23-K26 PolarHBondContact O-N 3.22Å; S23-E27 WeakPolarHBondContact O-CG 3.32Å; S23-E27 PolarHBondContact O-N 2.8Å
24E87.4Confident84.3Confident150 Ų15071.3 Ų71.370%0.70135%0.347SS*.Hα-helixtrans-64.1-45.6174.8-175.3176.1120.200112.5S22 K26 E27 N28S22-E24 PolarHBondContact O-N 3.24Å; E24-K26 VanDerWaalsContact C-N 3.3Å; E24-K26 PolarHBondContact O-N 3.1Å; E24-E27 PolarHBondContact O-N 3.21Å; E24-N28 WeakPolarHBondContact CG-ND2 3.35Å; E24-N28 WeakPolarHBondContact O-CB 3.34Å; E24-N28 PolarHBondContact O-N 3.31Å; E24-N28 PolarHBondContact O-ND2 3.4Å
25E88.6Confident85.2Confident34 Ų3469.3 Ų69.316%0.15935%0.345CS..Hα-helixtrans-61.8-40.7176.1-67.1172.610200111.1L21 S22 E27 N28 L29 T50 K52L21-E25 WeakPolarHBondContact CA-OE2 3.31Å; L21-E25 HydrophobicContact CB-CB 4.1Å; L21-E25 HydrophobicContact CD2-CB 4.1Å; S22-E25 WeakPolarHBondContact CB-OE2 3.46Å; S22-E25 PolarHBondContact N-OE2 2.71Å; S22-E25 PolarHBondContact O-N 2.64Å; S22-E25 PolarHBondContact OG-OE2 2.94Å; E25-E27 PolarHBondContact O-N 2.82Å; E25-N28 PolarHBondContact O-N 2.91Å; E25-L29 WeakPolarHBondContact O-CB 3.42Å; E25-L29 WeakPolarHBondContact O-CG 3.5Å; E25-L29 PolarHBondContact O-N 3.33Å; E25-T50 HydrophobicContact CB-CG2 4.24Å; E25-T50 HydrophobicContact CG-CG2 4.18Å; E25-T50 VanDerWaalsContact OE1-CB 3.31Å; E25-T50 WeakPolarHBondContact OE1-CB 3.4Å; E25-T50 WeakPolarHBondContact OE1-CG2 3.24Å; E25-K52 IonicContact OE1-NZ 2.71Å; E25-K52 PolarHBondContact OE1-NZ 2.93Å; E25-K52 IonicContact OE2-NZ 2.77Å; E25-K52 PolarHBondContact OE2-NZ 3.47Å
26K85.6Confident85.6Confident49 Ų4969.9 Ų69.921%0.21335%0.349CS..Hα-helixtrans-59-47.3176.6-69.8-179179.1163.30112M12 T18 L21 S22 S23 E24 L29 K30M12-K26 HydrophobicContact CB-CD 4.07Å; M12-K26 HydrophobicContact CE-CB 4.15Å; M12-K26 HydrophobicContact CE-CG 3.78Å; M12-K26 HydrophobicContact SD-CB 3.3Å; M12-K26 WeakPolarHBondContact SD-CB 3.41Å; M12-K26 HydrophobicContact SD-CD 3.85Å; M12-K26 HydrophobicContact SD-CG 3.33Å; M12-K26 WeakPolarHBondContact SD-CG 3.32Å; T18-K26 WeakPolarHBondContact O-CE 3.33Å; T18-K26 PolarHBondContact O-NZ 2.83Å; L21-K26 HydrophobicContact CB-CG 3.76Å; L21-K26 HydrophobicContact CD1-CG 4.29Å; L21-K26 VanDerWaalsContact O-CE 3.24Å; L21-K26 WeakPolarHBondContact O-CE 3.2Å; S22-K26 WeakPolarHBondContact O-CG 3.4Å; S22-K26 PolarHBondContact O-N 2.77Å; S23-K26 WeakPolarHBondContact O-CB 3.42Å; S23-K26 PolarHBondContact O-N 3.22Å; E24-K26 VanDerWaalsContact C-N 3.3Å; E24-K26 PolarHBondContact O-N 3.1Å; K26-L29 PolarHBondContact O-N 3.11Å; K26-K30 PolarHBondContact O-N 3.42Å
27E83.8Confident85.8Confident121 Ų12169.5 Ų69.557%0.56535%0.354SS*.Hα-helixtrans-65.1-43.3177.2-69.8-129.390.900112.2S23 E24 E25 L29 K30 P31S23-E27 WeakPolarHBondContact O-CG 3.32Å; S23-E27 PolarHBondContact O-N 2.8Å; E24-E27 PolarHBondContact O-N 3.21Å; E25-E27 PolarHBondContact O-N 2.82Å; E27-L29 PolarHBondContact O-N 2.57Å; E27-K30 WeakPolarHBondContact O-CB 3.38Å; E27-K30 PolarHBondContact O-N 3.44Å; E27-K30 IonicContact OE1-NZ 2.8Å; E27-K30 PolarHBondContact OE1-NZ 3.3Å; E27-P31 VanDerWaalsContact O-CD 3.32Å; E27-P31 WeakPolarHBondContact O-CD 3.4Å
28N86.4Confident85.8Confident87 Ų8771.5 Ų71.547%0.46537%0.369SS..Hα-helixtrans-65.3-25.4177.8-77.7-53.1000113.5E24 E25 P31 R49E24-N28 WeakPolarHBondContact CG-ND2 3.35Å; E24-N28 WeakPolarHBondContact O-CB 3.34Å; E24-N28 PolarHBondContact O-N 3.31Å; E24-N28 PolarHBondContact O-ND2 3.4Å; E25-N28 PolarHBondContact O-N 2.91Å; N28-P31 WeakPolarHBondContact O-CD 3.21Å; N28-P31 WeakPolarHBondContact O-CG 3.39Å; N28-R49 PolarHBondContact O-NH1 3.36Å
29L87Confident86.2Confident1 Ų173.1 Ų73.11%0.00538%0.383CS..Hα-helixtrans-84.8-22.3177.6-71.6175.8000113.7W17 L21 E25 K26 E27 A32 I33 I46 T50W17-L29 HydrophobicContact CH2-CD1 4.24Å; W17-L29 HydrophobicContact CZ3-CD1 4.45Å; L21-L29 HydrophobicContact CD1-CD1 3.53Å; L21-L29 HydrophobicContact CD2-CD1 4.41Å; E25-L29 WeakPolarHBondContact O-CB 3.42Å; E25-L29 WeakPolarHBondContact O-CG 3.5Å; E25-L29 PolarHBondContact O-N 3.33Å; K26-L29 PolarHBondContact O-N 3.11Å; E27-L29 PolarHBondContact O-N 2.57Å; L29-A32 HydrophobicContact CD2-CB 4.43Å; L29-A32 WeakPolarHBondContact O-CB 3.33Å; L29-A32 PolarHBondContact O-N 3.3Å; L29-I33 HydrophobicContact CB-CD1 4.28Å; L29-I33 WeakPolarHBondContact O-CD1 3.44Å; L29-I33 VanDerWaalsContact O-CG1 3.25Å; L29-I33 WeakPolarHBondContact O-CG1 3.46Å; L29-I33 PolarHBondContact O-N 3.35Å; L29-I46 HydrophobicContact CD1-CG1 4.1Å; L29-I46 HydrophobicContact CD2-CB 4.48Å; L29-I46 HydrophobicContact CD2-CG1 3.7Å; L29-T50 HydrophobicContact CD1-CG2 4.21Å
30K84.3Confident86.5Confident45 Ų4568.9 Ų68.920%0.19638%0.375CS..Hα-helixtrans-47.1-53.6174.1-70.4172.9-176.4174.70112.8S9 W11 K26 E27 A32 I33 L34S9-K30 WeakPolarHBondContact OG-CE 3.25Å; S9-K30 PolarHBondContact OG-NZ 3.28Å; W11-K30 HydrophobicContact CZ2-CG 3.86Å; K26-K30 PolarHBondContact O-N 3.42Å; E27-K30 WeakPolarHBondContact O-CB 3.38Å; E27-K30 PolarHBondContact O-N 3.44Å; E27-K30 IonicContact OE1-NZ 2.8Å; E27-K30 PolarHBondContact OE1-NZ 3.3Å; K30-A32 VanDerWaalsContact C-N 3.34Å; K30-A32 PolarHBondContact O-N 3.39Å; K30-I33 PolarHBondContact O-N 3.05Å; K30-L34 WeakPolarHBondContact O-CG 3.45Å; K30-L34 PolarHBondContact O-N 2.95Å; K30-L34 VanDerWaalsContact O-N 3.11Å
31P86.7Confident86.7Confident57 Ų5765.6 Ų65.637%0.3737%0.367SS..Hα-helixtrans-65-37.417925.7-35.3000112.2E27 N28 I33 L34 Q35E27-P31 VanDerWaalsContact O-CD 3.32Å; E27-P31 WeakPolarHBondContact O-CD 3.4Å; N28-P31 WeakPolarHBondContact O-CD 3.21Å; N28-P31 WeakPolarHBondContact O-CG 3.39Å; P31-I33 VanDerWaalsContact C-N 3.32Å; P31-I33 PolarHBondContact O-N 3.27Å; P31-L34 PolarHBondContact O-N 3.49Å; P31-Q35 WeakPolarHBondContact O-CB 3.43Å; P31-Q35 WeakPolarHBondContact O-CG 3.34Å; P31-Q35 PolarHBondContact O-N 3.31Å
32A87.6Confident87Confident3 Ų365.2 Ų65.23%0.02537%0.365CS..Hα-helixtrans-58.3-47.3175.800000110.6L29 K30 L34 Q35 S36 L42L29-A32 HydrophobicContact CD2-CB 4.43Å; L29-A32 WeakPolarHBondContact O-CB 3.33Å; L29-A32 PolarHBondContact O-N 3.3Å; K30-A32 VanDerWaalsContact C-N 3.34Å; K30-A32 PolarHBondContact O-N 3.39Å; A32-L34 VanDerWaalsContact C-N 3.33Å; A32-L34 PolarHBondContact O-N 3.05Å; A32-Q35 PolarHBondContact O-N 3.4Å; A32-S36 WeakPolarHBondContact O-CB 3.35Å; A32-S36 PolarHBondContact O-N 3.4Å; A32-S36 PolarHBondContact O-OG 2.95Å; A32-L42 HydrophobicContact CB-CD1 4.07Å
33I84.9Confident87.3Confident8 Ų863.3 Ų63.34%0.04135%0.348CS..Hα-helixtrans-68-35-176.7-54.2152.5000111.9W11 L29 K30 P31 L42 M62 K63 L66W11-I33 HydrophobicContact CH2-CD1 3.18Å; W11-I33 HydrophobicContact CZ2-CD1 3.86Å; W11-I33 HydrophobicContact CZ3-CD1 3.99Å; L29-I33 HydrophobicContact CB-CD1 4.28Å; L29-I33 WeakPolarHBondContact O-CD1 3.44Å; L29-I33 VanDerWaalsContact O-CG1 3.25Å; L29-I33 WeakPolarHBondContact O-CG1 3.46Å; L29-I33 PolarHBondContact O-N 3.35Å; K30-I33 PolarHBondContact O-N 3.05Å; P31-I33 VanDerWaalsContact C-N 3.32Å; P31-I33 PolarHBondContact O-N 3.27Å; I33-L42 HydrophobicContact CB-CD1 4.25Å; I33-L42 HydrophobicContact CB-CD2 4.12Å; I33-L42 HydrophobicContact CG1-CD1 3.59Å; I33-L42 HydrophobicContact CG1-CD2 3.78Å; I33-L42 HydrophobicContact CG1-CG 4.32Å; I33-L42 HydrophobicContact CG2-CD2 3.83Å; I33-M62 HydrophobicContact CD1-CE 3.42Å; I33-M62 VanDerWaalsContact CD1-CE 3.42Å; I33-M62 HydrophobicContact CG1-CE 3.89Å; I33-K63 HydrophobicContact CG2-CG 4.04Å; I33-L66 HydrophobicContact CB-CD1 3.44Å; I33-L66 VanDerWaalsContact CB-CD1 3.44Å; I33-L66 HydrophobicContact CD1-CD1 3.66Å; I33-L66 HydrophobicContact CG1-CD1 4.17Å; I33-L66 HydrophobicContact CG2-CD1 3.29Å
34L83.7Confident87.8Confident109 Ų10965.5 Ų65.557%0.57135%0.349SS*.Hα-helixtrans-70.5-37.4176.5-69.4174.4000112.8K30 P31 A32 I70K30-L34 WeakPolarHBondContact O-CG 3.45Å; K30-L34 PolarHBondContact O-N 2.95Å; K30-L34 VanDerWaalsContact O-N 3.11Å; P31-L34 PolarHBondContact O-N 3.49Å; A32-L34 VanDerWaalsContact C-N 3.33Å; A32-L34 PolarHBondContact O-N 3.05Å; L34-I70 HydrophobicContact CD2-CD1 3.78Å
35Q86.2Confident88Confident153 Ų15359.4 Ų59.472%0.71532%0.322SS*.Hα-helixtrans-85.5-21.8-178.9-68.6-178.4-38.100112.8P31 A32 A37P31-Q35 WeakPolarHBondContact O-CB 3.43Å; P31-Q35 WeakPolarHBondContact O-CG 3.34Å; P31-Q35 PolarHBondContact O-N 3.31Å; A32-Q35 PolarHBondContact O-N 3.4Å; Q35-A37 PolarHBondContact O-N 3.36Å
36S86.4Confident88.1Confident12 Ų1257.8 Ų57.88%0.08432%0.315CS..  trans-68.6116.5-173.1-66.40000112A32 E41 L42 K63A32-S36 WeakPolarHBondContact O-CB 3.35Å; A32-S36 PolarHBondContact O-N 3.4Å; A32-S36 PolarHBondContact O-OG 2.95Å; S36-E41 WeakPolarHBondContact CA-OE1 3.41Å; S36-L42 WeakPolarHBondContact OG-CB 3.24Å; S36-K63 PolarHBondContact O-NZ 3.04Å
37A86.4Confident88.5Confident89 Ų8959 Ų5974%0.73632%0.322SS*.SBendtrans-70.4-41.1177.400000111.3Q35 E41 K63Q35-A37 PolarHBondContact O-N 3.36Å; A37-E41 PolarHBondContact N-OE1 3.06Å; A37-K63 PolarHBondContact O-NZ 2.9Å
38S88Confident88.9Confident53 Ų5359.8 Ų59.837%0.37133%0.331SS..SBendtrans-110.8169.2-178.3-168.30000113.1D40 K63S38-D40 PolarHBondContact OG-N 2.8Å; S38-D40 PolarHBondContact OG-OD2 2.91Å; S38-K63 PolarHBondContact O-NZ 3.3Å
39A89.7Confident89.1Confident35 Ų3561.3 Ų61.329%0.28933%0.33SS..Hα-helixtrans-69.8-43.4166.300000110.7E41 L42 I43 V59A39-E41 PolarHBondContact O-N 2.97Å; A39-L42 WeakPolarHBondContact O-CB 3.49Å; A39-L42 PolarHBondContact O-N 3.2Å; A39-L42 VanDerWaalsContact O-N 3.14Å; A39-I43 VanDerWaalsContact O-CG1 3.31Å; A39-I43 WeakPolarHBondContact O-CG1 3.46Å; A39-I43 PolarHBondContact O-N 3.1Å; A39-V59 HydrophobicContact CB-CG1 3.67Å
40D91.6Very high89.2Confident105 Ų10562.4 Ų62.456%0.56134%0.337SS*.Hα-helixtrans-61.4-44.5-178.8-57.2-77.4000112.4S38 L42 I43 E44S38-D40 PolarHBondContact OG-N 2.8Å; S38-D40 PolarHBondContact OG-OD2 2.91Å; D40-L42 PolarHBondContact O-N 3.32Å; D40-I43 WeakPolarHBondContact O-CB 3.33Å; D40-I43 PolarHBondContact O-N 3.48Å; D40-E44 PolarHBondContact O-N 3.04Å
41E91.8Very high89.6Confident94 Ų9463.3 Ų63.344%0.43936%0.359SS..Hα-helixtrans-57.6-38.7175.5-174.1176.678.900111.9S36 A37 A39 S45S36-E41 WeakPolarHBondContact CA-OE1 3.41Å; A37-E41 PolarHBondContact N-OE1 3.06Å; A39-E41 PolarHBondContact O-N 2.97Å; E41-S45 WeakPolarHBondContact O-CB 3.39Å; E41-S45 PolarHBondContact O-N 3.1Å
42L91Very high89.8Confident0 Ų063.1 Ų63.10%035%0.352CS..Hα-helixtrans-71.9-38.2176.2-177.455000112A32 I33 S36 A39 D40 S45 I46 V59 K63A32-L42 HydrophobicContact CB-CD1 4.07Å; I33-L42 HydrophobicContact CB-CD1 4.25Å; I33-L42 HydrophobicContact CB-CD2 4.12Å; I33-L42 HydrophobicContact CG1-CD1 3.59Å; I33-L42 HydrophobicContact CG1-CD2 3.78Å; I33-L42 HydrophobicContact CG1-CG 4.32Å; I33-L42 HydrophobicContact CG2-CD2 3.83Å; S36-L42 WeakPolarHBondContact OG-CB 3.24Å; A39-L42 WeakPolarHBondContact O-CB 3.49Å; A39-L42 PolarHBondContact O-N 3.2Å; A39-L42 VanDerWaalsContact O-N 3.14Å; D40-L42 PolarHBondContact O-N 3.32Å; L42-S45 PolarHBondContact O-N 3.07Å; L42-I46 HydrophobicContact CD1-CD1 3.92Å; L42-I46 HydrophobicContact CD1-CG1 4.09Å; L42-I46 HydrophobicContact CG-CD1 3.79Å; L42-I46 HydrophobicContact CG-CG1 4.42Å; L42-I46 WeakPolarHBondContact O-CB 2.98Å; L42-I46 WeakPolarHBondContact O-CD1 3.42Å; L42-I46 WeakPolarHBondContact O-CG1 3.43Å; L42-I46 PolarHBondContact O-N 2.75Å; L42-V59 HydrophobicContact CB-CG1 4.39Å; L42-V59 HydrophobicContact CD2-CB 4.5Å; L42-V59 HydrophobicContact CD2-CG1 3.86Å; L42-V59 HydrophobicContact CD2-CG2 4.18Å; L42-V59 HydrophobicContact CG-CG1 4.44Å; L42-V59 HydrophobicContact CG-CG2 4.18Å; L42-K63 HydrophobicContact CD2-CG 4.42Å
43I93.4Very high90Very high30 Ų3070.8 Ų70.815%0.15439%0.388CS..Hα-helixtrans-60.1-49.7175-66.8170.6000109.6A39 D40 I46 I47 V54 V59A39-I43 VanDerWaalsContact O-CG1 3.31Å; A39-I43 WeakPolarHBondContact O-CG1 3.46Å; A39-I43 PolarHBondContact O-N 3.1Å; D40-I43 WeakPolarHBondContact O-CB 3.33Å; D40-I43 PolarHBondContact O-N 3.48Å; I43-I46 PolarHBondContact O-N 2.61Å; I43-I47 HydrophobicContact CG2-CD1 3.66Å; I43-I47 HydrophobicContact CG2-CG1 4.44Å; I43-I47 VanDerWaalsContact O-CG1 3.29Å; I43-I47 WeakPolarHBondContact O-CG1 3.26Å; I43-I47 PolarHBondContact O-N 2.93Å; I43-V54 HydrophobicContact CB-CG1 4.09Å; I43-V54 HydrophobicContact CG1-CG1 4.01Å; I43-V54 HydrophobicContact CG2-CG1 3.89Å; I43-V59 HydrophobicContact CG1-CG2 3.71Å
44E93.2Very high90.3Very high141 Ų14171 Ų7166%0.65939%0.389SS*.Hα-helixtrans-59.9-47.7177.5-71.2-177.117100111.2D40 I46 I47 D48D40-E44 PolarHBondContact O-N 3.04Å; E44-I46 VanDerWaalsContact C-N 3.26Å; E44-I46 PolarHBondContact O-N 3.2Å; E44-I47 PolarHBondContact O-N 3.45Å; E44-D48 VanDerWaalsContact O-CB 3.29Å; E44-D48 WeakPolarHBondContact O-CB 3.5Å; E44-D48 PolarHBondContact O-N 3.17Å
45S91.6Very high90.6Very high21 Ų2169.4 Ų69.415%0.14738%0.384CS..Hα-helixtrans-62-33.9177.6179.40000112.9E41 L42 R49E41-S45 WeakPolarHBondContact O-CB 3.39Å; E41-S45 PolarHBondContact O-N 3.1Å; L42-S45 PolarHBondContact O-N 3.07Å; S45-R49 WeakPolarHBondContact O-CB 3.3Å; S45-R49 VanDerWaalsContact O-CG 3.22Å; S45-R49 WeakPolarHBondContact O-CG 3.43Å; S45-R49 PolarHBondContact O-N 2.99Å; S45-R49 PolarHBondContact OG-NE 3.06Å
46I91.7Very high90.9Very high0 Ų065.1 Ų65.10%038%0.375CS..Hα-helixtrans-70.1-47.2177-76.8166.1000110.1W17 L29 L42 I43 E44 D48 R49 T50 V54 V59 M62W17-I46 HydrophobicContact CH2-CB 4.44Å; W17-I46 HydrophobicContact CH2-CD1 4.11Å; W17-I46 HydrophobicContact CH2-CG1 4.31Å; W17-I46 HydrophobicContact CH2-CG2 3.31Å; W17-I46 HydrophobicContact CZ2-CG2 3.44Å; W17-I46 VanDerWaalsContact CZ2-CG2 3.44Å; W17-I46 HydrophobicContact CZ3-CD1 4.36Å; W17-I46 HydrophobicContact CZ3-CG2 4.48Å; L29-I46 HydrophobicContact CD1-CG1 4.1Å; L29-I46 HydrophobicContact CD2-CB 4.48Å; L29-I46 HydrophobicContact CD2-CG1 3.7Å; L42-I46 HydrophobicContact CD1-CD1 3.92Å; L42-I46 HydrophobicContact CD1-CG1 4.09Å; L42-I46 HydrophobicContact CG-CD1 3.79Å; L42-I46 HydrophobicContact CG-CG1 4.42Å; L42-I46 WeakPolarHBondContact O-CB 2.98Å; L42-I46 WeakPolarHBondContact O-CD1 3.42Å; L42-I46 WeakPolarHBondContact O-CG1 3.43Å; L42-I46 PolarHBondContact O-N 2.75Å; I43-I46 PolarHBondContact O-N 2.61Å; E44-I46 VanDerWaalsContact C-N 3.26Å; E44-I46 PolarHBondContact O-N 3.2Å; I46-D48 VanDerWaalsContact C-N 3.33Å; I46-D48 PolarHBondContact O-N 2.8Å; I46-R49 PolarHBondContact O-N 3.39Å; I46-T50 WeakPolarHBondContact O-CB 3.48Å; I46-T50 PolarHBondContact O-N 3.48Å; I46-T50 PolarHBondContact O-OG1 2.95Å; I46-V54 HydrophobicContact CB-CG1 3.91Å; I46-V54 HydrophobicContact CD1-CB 4.44Å; I46-V54 HydrophobicContact CD1-CG1 3.96Å; I46-V54 HydrophobicContact CD1-CG2 4.2Å; I46-V54 HydrophobicContact CG2-CB 3.95Å; I46-V54 HydrophobicContact CG2-CG1 3.63Å; I46-V59 HydrophobicContact CD1-CG2 4.18Å; I46-M62 HydrophobicContact CD1-CE 3.81Å; I46-M62 HydrophobicContact CD1-SD 4.16Å
47I92.5Very high91.1Very high74 Ų7469.2 Ų69.238%0.37940%0.399SS..Hα-helixtrans-63.2-43.2-179.8-67.7168.1000110.1I43 E44 G51I43-I47 HydrophobicContact CG2-CD1 3.66Å; I43-I47 HydrophobicContact CG2-CG1 4.44Å; I43-I47 VanDerWaalsContact O-CG1 3.29Å; I43-I47 WeakPolarHBondContact O-CG1 3.26Å; I43-I47 PolarHBondContact O-N 2.93Å; E44-I47 PolarHBondContact O-N 3.45Å; I47-G51 WeakPolarHBondContact O-CA 3.5Å; I47-G51 PolarHBondContact O-N 3.21Å
48D92.3Very high91.2Very high138 Ų13866.1 Ų66.174%0.73837%0.37SS*.Hα-helixtrans-59.6-48.3177.3178.1-99.9000112.1E44 I46E44-D48 VanDerWaalsContact O-CB 3.29Å; E44-D48 WeakPolarHBondContact O-CB 3.5Å; E44-D48 PolarHBondContact O-N 3.17Å; I46-D48 VanDerWaalsContact C-N 3.33Å; I46-D48 PolarHBondContact O-N 2.8Å
49R90.8Very high91.3Very high119 Ų11963.6 Ų63.645%0.44935%0.353SS..Hα-helixtrans-79.4-30.4-174.5-67.7177.6-171-169.86.4114.5N28 S45 I46N28-R49 PolarHBondContact O-NH1 3.36Å; S45-R49 WeakPolarHBondContact O-CB 3.3Å; S45-R49 VanDerWaalsContact O-CG 3.22Å; S45-R49 WeakPolarHBondContact O-CG 3.43Å; S45-R49 PolarHBondContact O-N 2.99Å; S45-R49 PolarHBondContact OG-NE 3.06Å; I46-R49 PolarHBondContact O-N 3.39Å
50T90.3Very high91.3Very high24 Ų2469.5 Ų69.515%0.14737%0.372CS..Hα-helixtrans-119.1-14.1-170.169.90000113.5L21 E25 L29 I46 K52L21-T50 HydrophobicContact CD2-CG2 4Å; E25-T50 HydrophobicContact CB-CG2 4.24Å; E25-T50 HydrophobicContact CG-CG2 4.18Å; E25-T50 VanDerWaalsContact OE1-CB 3.31Å; E25-T50 WeakPolarHBondContact OE1-CB 3.4Å; E25-T50 WeakPolarHBondContact OE1-CG2 3.24Å; L29-T50 HydrophobicContact CD1-CG2 4.21Å; I46-T50 WeakPolarHBondContact O-CB 3.48Å; I46-T50 PolarHBondContact O-N 3.48Å; I46-T50 PolarHBondContact O-OG1 2.95Å; T50-K52 PolarHBondContact O-N 2.84Å; T50-K52 VanDerWaalsContact O-N 3.1Å; T50-K52 WeakPolarHBondContact OG1-CB 2.79Å; T50-K52 PolarHBondContact OG1-N 3.06Å
51G91.5Very high91Very high64 Ų6467 Ų6766%0.6636%0.36SS*.  trans64.45.3-170.800000114.1I47I47-G51 WeakPolarHBondContact O-CA 3.5Å; I47-G51 PolarHBondContact O-N 3.21Å
52K91.3Very high90.7Very high54 Ų5462.5 Ų62.524%0.23534%0.339CS..  trans-97.2129.9-175-69.1162.3-172.6162.20109.9W17 R20 L21 E25 T50W17-K52 HydrophobicContact CZ2-CB 4.25Å; R20-K52 WeakPolarHBondContact O-CE 3.42Å; R20-K52 PolarHBondContact O-NZ 3.44Å; L21-K52 HydrophobicContact CD2-CD 3.77Å; E25-K52 IonicContact OE1-NZ 2.71Å; E25-K52 PolarHBondContact OE1-NZ 2.93Å; E25-K52 IonicContact OE2-NZ 2.77Å; E25-K52 PolarHBondContact OE2-NZ 3.47Å; T50-K52 PolarHBondContact O-N 2.84Å; T50-K52 VanDerWaalsContact O-N 3.1Å; T50-K52 WeakPolarHBondContact OG1-CB 2.79Å; T50-K52 PolarHBondContact OG1-N 3.06Å
53Q92Very high90.4Very high164 Ų16465.4 Ų65.477%0.76635%0.352SS*.  trans-66.2137.8170.2-67.5-170.57.900110.5W17W17-Q53 PolarHBondContact NE1-O 3.36Å
54V90.7Very high90Very high13 Ų1366.4 Ų66.48%0.07937%0.365CS..  trans-130.5144177.861.70000108.4W17 I43 I46 D58 V59W17-V54 HydrophobicContact CD2-CB 4.36Å; W17-V54 HydrophobicContact CD2-CG2 3.88Å; W17-V54 HydrophobicContact CE3-CG2 4.17Å; W17-V54 HydrophobicContact CG-CG2 4.39Å; W17-V54 HydrophobicContact CH2-CB 4.29Å; W17-V54 HydrophobicContact CH2-CG2 4.24Å; W17-V54 HydrophobicContact CZ2-CB 3.65Å; W17-V54 HydrophobicContact CZ2-CG2 3.93Å; W17-V54 HydrophobicContact CZ3-CG2 4.32Å; I43-V54 HydrophobicContact CB-CG1 4.09Å; I43-V54 HydrophobicContact CG1-CG1 4.01Å; I43-V54 HydrophobicContact CG2-CG1 3.89Å; I46-V54 HydrophobicContact CB-CG1 3.91Å; I46-V54 HydrophobicContact CD1-CB 4.44Å; I46-V54 HydrophobicContact CD1-CG1 3.96Å; I46-V54 HydrophobicContact CD1-CG2 4.2Å; I46-V54 HydrophobicContact CG2-CB 3.95Å; I46-V54 HydrophobicContact CG2-CG1 3.63Å; V54-D58 HydrophobicContact CG2-CB 3.6Å; V54-V59 HydrophobicContact CG1-CG2 4.33Å; V54-V59 HydrophobicContact CG2-CG2 3.92Å
55T91.3Very high89.4Confident74 Ų7461.1 Ų61.145%0.45434%0.34SS..  trans-94.9159.9178.672.90000111.4V57 D58 V59T55-V57 PolarHBondContact O-N 3.13Å; T55-V57 WeakPolarHBondContact OG1-CG1 3.41Å; T55-V57 PolarHBondContact OG1-N 2.58Å; T55-D58 WeakPolarHBondContact CB-OD2 3.46Å; T55-D58 PolarHBondContact N-OD2 2.83Å; T55-D58 VanDerWaalsContact N-OD2 3.07Å; T55-D58 WeakPolarHBondContact O-CB 3.35Å; T55-D58 PolarHBondContact O-N 3.34Å; T55-D58 VanDerWaalsContact O-N 3.1Å; T55-D58 PolarHBondContact OG1-N 2.7Å; T55-D58 PolarHBondContact OG1-OD2 3.01Å; T55-V59 PolarHBondContact O-N 3.28Å
56A90.9Very high88.6Confident63 Ų6360.7 Ų60.752%0.52134%0.336SS..Hα-helixtrans-58.2-29.5173.100000112.8K60A56-K60 WeakPolarHBondContact O-CB 3.49Å; A56-K60 PolarHBondContact O-N 3.32Å
57V90.7Very high87.7Confident98 Ų9864.3 Ų64.359%0.59436%0.361SS*.Hα-helixtrans-70.2-39.3176.9103.40000111.4T55 K60 T61T55-V57 PolarHBondContact O-N 3.13Å; T55-V57 WeakPolarHBondContact OG1-CG1 3.41Å; T55-V57 PolarHBondContact OG1-N 2.58Å; V57-K60 PolarHBondContact O-N 3.33Å; V57-T61 WeakPolarHBondContact O-CB 3.37Å; V57-T61 PolarHBondContact O-N 2.99Å; V57-T61 PolarHBondContact O-OG1 2.93Å
58D89.7Confident86.7Confident24 Ų2464.2 Ų64.213%0.12837%0.365CS..Hα-helixtrans-65.2-46.4176.8-60.9-51.6000109.8N15 W17 V54 T55 K60 T61 M62N15-D58 PolarHBondContact ND2-O 3.29Å; W17-D58 HydrophobicContact CB-CB 4.08Å; W17-D58 WeakPolarHBondContact CB-OD1 3.42Å; W17-D58 HydrophobicContact CG-CB 4.23Å; V54-D58 HydrophobicContact CG2-CB 3.6Å; T55-D58 WeakPolarHBondContact CB-OD2 3.46Å; T55-D58 PolarHBondContact N-OD2 2.83Å; T55-D58 VanDerWaalsContact N-OD2 3.07Å; T55-D58 WeakPolarHBondContact O-CB 3.35Å; T55-D58 PolarHBondContact O-N 3.34Å; T55-D58 VanDerWaalsContact O-N 3.1Å; T55-D58 PolarHBondContact OG1-N 2.7Å; T55-D58 PolarHBondContact OG1-OD2 3.01Å; D58-K60 PolarHBondContact O-N 3.33Å; D58-T61 CarbonylContact O-C 3.6Å; D58-T61 WeakPolarHBondContact O-CB 3.25Å; D58-T61 PolarHBondContact O-N 3.3Å; D58-T61 VanDerWaalsContact O-N 3.13Å; D58-M62 VanDerWaalsContact O-CG 3.26Å; D58-M62 WeakPolarHBondContact O-CG 2.97Å; D58-M62 PolarHBondContact O-N 3.25Å
59V89.6Confident85.5Confident1 Ų159 Ų591%0.00634%0.337CS..Hα-helixtrans-60.6-44.1176.7159.10000112A39 L42 I43 I46 V54 T55 T61 M62 K63A39-V59 HydrophobicContact CB-CG1 3.67Å; L42-V59 HydrophobicContact CB-CG1 4.39Å; L42-V59 HydrophobicContact CD2-CB 4.5Å; L42-V59 HydrophobicContact CD2-CG1 3.86Å; L42-V59 HydrophobicContact CD2-CG2 4.18Å; L42-V59 HydrophobicContact CG-CG1 4.44Å; L42-V59 HydrophobicContact CG-CG2 4.18Å; I43-V59 HydrophobicContact CG1-CG2 3.71Å; I46-V59 HydrophobicContact CD1-CG2 4.18Å; V54-V59 HydrophobicContact CG1-CG2 4.33Å; V54-V59 HydrophobicContact CG2-CG2 3.92Å; T55-V59 PolarHBondContact O-N 3.28Å; V59-T61 VanDerWaalsContact C-N 3.26Å; V59-T61 PolarHBondContact O-N 2.85Å; V59-M62 PolarHBondContact O-N 3.4Å; V59-K63 PolarHBondContact O-N 3.38Å
60K88.5Confident84.2Confident158 Ų15857.2 Ų57.269%0.68734%0.335SS*.Hα-helixtrans-58.4-42174.9-175.3178.7-178.6-179.90111.3A56 V57 D58 A64A56-K60 WeakPolarHBondContact O-CB 3.49Å; A56-K60 PolarHBondContact O-N 3.32Å; V57-K60 PolarHBondContact O-N 3.33Å; D58-K60 PolarHBondContact O-N 3.33Å; K60-A64 WeakPolarHBondContact O-CB 3.37Å; K60-A64 PolarHBondContact O-N 3.14Å
61T86.9Confident83Confident53 Ų5361.1 Ų61.133%0.32536%0.355SS..Hα-helixtrans-66.8-41.8177.6-55.30000111.5N15 V57 D58 V59 A64 Q65N15-T61 HydrophobicContact CB-CG2 4.35Å; V57-T61 WeakPolarHBondContact O-CB 3.37Å; V57-T61 PolarHBondContact O-N 2.99Å; V57-T61 PolarHBondContact O-OG1 2.93Å; D58-T61 CarbonylContact O-C 3.6Å; D58-T61 WeakPolarHBondContact O-CB 3.25Å; D58-T61 PolarHBondContact O-N 3.3Å; D58-T61 VanDerWaalsContact O-N 3.13Å; V59-T61 VanDerWaalsContact C-N 3.26Å; V59-T61 PolarHBondContact O-N 2.85Å; T61-A64 PolarHBondContact O-N 3.08Å; T61-Q65 HydrophobicContact CG2-CG 4.42Å; T61-Q65 WeakPolarHBondContact O-CB 3.31Å; T61-Q65 VanDerWaalsContact O-CG 3.31Å; T61-Q65 WeakPolarHBondContact O-CG 3.47Å; T61-Q65 PolarHBondContact O-N 3.03Å
62M85.5Confident81.4Confident0 Ų066 Ų660%035%0.354CS..Hα-helixtrans-62-45.8177.2-69.9167.567.400112W11 M12 N15 W17 T18 I33 I46 D58 V59 A64 Q65 L66W11-M62 HydrophobicContact CH2-CE 4.41Å; W11-M62 HydrophobicContact CZ3-CB 4.17Å; W11-M62 HydrophobicContact CZ3-CG 4.26Å; M12-M62 HydrophobicContact CE-CE 4.22Å; N15-M62 WeakPolarHBondContact ND2-CG 3.46Å; W17-M62 HydrophobicContact CE3-SD 3.81Å; W17-M62 HydrophobicContact CZ3-CE 3.9Å; W17-M62 HydrophobicContact CZ3-SD 3.67Å; T18-M62 HydrophobicContact CG2-CG 4.34Å; I33-M62 HydrophobicContact CD1-CE 3.42Å; I33-M62 VanDerWaalsContact CD1-CE 3.42Å; I33-M62 HydrophobicContact CG1-CE 3.89Å; I46-M62 HydrophobicContact CD1-CE 3.81Å; I46-M62 HydrophobicContact CD1-SD 4.16Å; D58-M62 VanDerWaalsContact O-CG 3.26Å; D58-M62 WeakPolarHBondContact O-CG 2.97Å; D58-M62 PolarHBondContact O-N 3.25Å; V59-M62 PolarHBondContact O-N 3.4Å; M62-A64 VanDerWaalsContact C-N 3.34Å; M62-A64 PolarHBondContact O-N 3.32Å; M62-Q65 PolarHBondContact O-N 2.72Å; M62-L66 PolarHBondContact O-N 2.8Å
63K84.8Confident79.8Confident60 Ų6067 Ų6726%0.26137%0.368SS..Hα-helixtrans-62.2-41.1175.3-76.2-162.1169.7-164.80112I33 S36 A37 S38 L42 V59 S67I33-K63 HydrophobicContact CG2-CG 4.04Å; S36-K63 PolarHBondContact O-NZ 3.04Å; A37-K63 PolarHBondContact O-NZ 2.9Å; S38-K63 PolarHBondContact O-NZ 3.3Å; L42-K63 HydrophobicContact CD2-CG 4.42Å; V59-K63 PolarHBondContact O-N 3.38Å; K63-S67 WeakPolarHBondContact O-CB 3.29Å; K63-S67 PolarHBondContact O-N 2.86Å; K63-S67 PolarHBondContact O-OG 3.18Å
64A83.8Confident78Confident52 Ų5263.6 Ų63.643%0.4336%0.362SS..Hα-helixtrans-64.5-43.3176.600000112.4K60 T61 M62 S67 T68K60-A64 WeakPolarHBondContact O-CB 3.37Å; K60-A64 PolarHBondContact O-N 3.14Å; T61-A64 PolarHBondContact O-N 3.08Å; M62-A64 VanDerWaalsContact C-N 3.34Å; M62-A64 PolarHBondContact O-N 3.32Å; A64-S67 PolarHBondContact O-N 3.4Å; A64-T68 PolarHBondContact O-N 3.06Å; A64-T68 PolarHBondContact O-OG1 3.08Å; A64-T68 VanDerWaalsContact O-OG1 3.08Å
65Q80.1Confident76Confident29 Ų2975.9 Ų75.914%0.13641%0.407CS..Hα-helixtrans-62.7-45.2178.4-76.3170.7-20.500112.4W11 Y14 T61 M62 T68 D69W11-Q65 HydrophobicContact CB-CB 4.37Å; W11-Q65 HydrophobicContact CE3-CB 3.91Å; W11-Q65 PolarHBondContact O-OE1 3.29Å; W11-Q65 VanDerWaalsContact O-OE1 3.11Å; Y14-Q65 VanDerWaalsContact CB-NE2 3.27Å; T61-Q65 HydrophobicContact CG2-CG 4.42Å; T61-Q65 WeakPolarHBondContact O-CB 3.31Å; T61-Q65 VanDerWaalsContact O-CG 3.31Å; T61-Q65 WeakPolarHBondContact O-CG 3.47Å; T61-Q65 PolarHBondContact O-N 3.03Å; M62-Q65 PolarHBondContact O-N 2.72Å; Q65-T68 PolarHBondContact O-N 2.91Å; Q65-D69 WeakPolarHBondContact O-CB 3.39Å; Q65-D69 PolarHBondContact O-N 2.89Å
66L74.9Confident75.2Confident12 Ų1276 Ų766%0.06341%0.405CS..Hα-helixtrans-66.6-37.7176.8-86.1168000112.7W11 I33 M62 T68 D69 I70W11-L66 HydrophobicContact CD2-CD2 3.91Å; W11-L66 HydrophobicContact CD2-CG 3.86Å; W11-L66 HydrophobicContact CE3-CD1 4.47Å; W11-L66 HydrophobicContact CE3-CD2 4.46Å; W11-L66 HydrophobicContact CE3-CG 3.89Å; W11-L66 HydrophobicContact CG-CD2 4.18Å; W11-L66 HydrophobicContact CG-CG 4.48Å; W11-L66 HydrophobicContact CH2-CD1 4Å; W11-L66 HydrophobicContact CH2-CG 4.26Å; W11-L66 HydrophobicContact CZ2-CD1 4.06Å; W11-L66 HydrophobicContact CZ2-CD2 4.23Å; W11-L66 HydrophobicContact CZ2-CG 4.18Å; W11-L66 HydrophobicContact CZ3-CD1 4.17Å; W11-L66 HydrophobicContact CZ3-CG 4.09Å; I33-L66 HydrophobicContact CB-CD1 3.44Å; I33-L66 VanDerWaalsContact CB-CD1 3.44Å; I33-L66 HydrophobicContact CD1-CD1 3.66Å; I33-L66 HydrophobicContact CG1-CD1 4.17Å; I33-L66 HydrophobicContact CG2-CD1 3.29Å; M62-L66 PolarHBondContact O-N 2.8Å; L66-T68 VanDerWaalsContact C-N 3.27Å; L66-T68 PolarHBondContact O-N 3.11Å; L66-D69 PolarHBondContact O-N 3.46Å; L66-I70 WeakPolarHBondContact O-CD1 3.44Å; L66-I70 VanDerWaalsContact O-CG1 3.25Å; L66-I70 WeakPolarHBondContact O-CG1 3.48Å; L66-I70 PolarHBondContact O-N 3.49Å
67S73.2Confident74.4Confident76 Ų7676.7 Ų76.753%0.53140%0.399SS..Hα-helixtrans-60.4-40.8174.5-57.90000111.3K63 A64 L71K63-S67 WeakPolarHBondContact O-CB 3.29Å; K63-S67 PolarHBondContact O-N 2.86Å; K63-S67 PolarHBondContact O-OG 3.18Å; A64-S67 PolarHBondContact O-N 3.4Å; S67-L71 WeakPolarHBondContact O-CB 3.38Å; S67-L71 PolarHBondContact O-N 3.13Å; S67-L71 VanDerWaalsContact O-N 3.12Å
68T72Confident73.5Confident73 Ų7375.5 Ų75.545%0.44839%0.388SS..Hα-helixtrans-68.6-41.2175.5-57.80000112.1A64 Q65 L66 L71 Y72A64-T68 PolarHBondContact O-N 3.06Å; A64-T68 PolarHBondContact O-OG1 3.08Å; A64-T68 VanDerWaalsContact O-OG1 3.08Å; Q65-T68 PolarHBondContact O-N 2.91Å; L66-T68 VanDerWaalsContact C-N 3.27Å; L66-T68 PolarHBondContact O-N 3.11Å; T68-L71 WeakPolarHBondContact O-CB 3.3Å; T68-L71 PolarHBondContact O-N 2.83Å; T68-L71 VanDerWaalsContact O-N 3.16Å; T68-Y72 HydrophobicContact CG2-CD2 3.76Å; T68-Y72 HydrophobicContact CG2-CE2 3.66Å; T68-Y72 VanDerWaalsContact O-CD2 3.3Å; T68-Y72 WeakPolarHBondContact O-CD2 3.48Å; T68-Y72 PolarHBondContact O-N 2.8Å
69D66.8Low72.5Confident29 Ų2978.5 Ų78.516%0.15540%0.403CS..Hα-helixtrans-61.6-43.6177.9-165.2-95.2000112.2F7 W11 Q65 L66 L71 Y72 S73F7-D69 WeakPolarHBondContact CE1-OD2 3.01Å; W11-D69 HydrophobicContact CB-CB 4.14Å; Q65-D69 WeakPolarHBondContact O-CB 3.39Å; Q65-D69 PolarHBondContact O-N 2.89Å; L66-D69 PolarHBondContact O-N 3.46Å; D69-L71 VanDerWaalsContact C-N 3.3Å; D69-L71 PolarHBondContact O-N 2.74Å; D69-Y72 PolarHBondContact O-N 3.41Å; D69-S73 WeakPolarHBondContact O-CB 3.15Å; D69-S73 PolarHBondContact O-N 2.96Å; D69-S73 PolarHBondContact O-OG 3.38Å
70I64.8Low71.4Confident80 Ų8083.4 Ų83.441%0.4143%0.428SS..Hα-helixtrans-62.7-39.8173.3-65.8164.3000110.8L34 L66 S73 S74L34-I70 HydrophobicContact CD2-CD1 3.78Å; L66-I70 WeakPolarHBondContact O-CD1 3.44Å; L66-I70 VanDerWaalsContact O-CG1 3.25Å; L66-I70 WeakPolarHBondContact O-CG1 3.48Å; L66-I70 PolarHBondContact O-N 3.49Å; I70-S73 VanDerWaalsContact CA-OG 3.29Å; I70-S73 WeakPolarHBondContact CA-OG 3.25Å; I70-S73 PolarHBondContact O-N 2.97Å; I70-S73 PolarHBondContact O-OG 3.16Å; I70-S73 VanDerWaalsContact O-OG 3.13Å; I70-S74 PolarHBondContact O-N 3.12Å; I70-S74 PolarHBondContact O-OG 2.78Å
71L63.3Low70.3Confident107 Ų10778.4 Ų78.456%0.5641%0.411SS*.Hα-helixtrans-65.4-41.5-179.7-156.7148.8000110.9S67 T68 D69 W75S67-L71 WeakPolarHBondContact O-CB 3.38Å; S67-L71 PolarHBondContact O-N 3.13Å; S67-L71 VanDerWaalsContact O-N 3.12Å; T68-L71 WeakPolarHBondContact O-CB 3.3Å; T68-L71 PolarHBondContact O-N 2.83Å; T68-L71 VanDerWaalsContact O-N 3.16Å; D69-L71 VanDerWaalsContact C-N 3.3Å; D69-L71 PolarHBondContact O-N 2.74Å; L71-W75 VanDerWaalsContact O-CD1 3.29Å
72Y59.4Low69.1Low167 Ų16780.2 Ų80.266%0.65542%0.417SS*.Hα-helixtrans-73.2-32.4175.8-83.4-75.5000114.2T68 D69 S74 W75T68-Y72 HydrophobicContact CG2-CD2 3.76Å; T68-Y72 HydrophobicContact CG2-CE2 3.66Å; T68-Y72 VanDerWaalsContact O-CD2 3.3Å; T68-Y72 WeakPolarHBondContact O-CD2 3.48Å; T68-Y72 PolarHBondContact O-N 2.8Å; D69-Y72 PolarHBondContact O-N 3.41Å; Y72-S74 PolarHBondContact O-N 3.46Å; Y72-W75 PolarHBondContact O-N 3.45Å
73S56.1Low67.9Low73 Ų7386.4 Ų86.451%0.5145%0.449SS..Hα-helixtrans-76.4-8.7176.849.60000113.9D69 I70D69-S73 WeakPolarHBondContact O-CB 3.15Å; D69-S73 PolarHBondContact O-N 2.96Å; D69-S73 PolarHBondContact O-OG 3.38Å; I70-S73 VanDerWaalsContact CA-OG 3.29Å; I70-S73 WeakPolarHBondContact CA-OG 3.25Å; I70-S73 PolarHBondContact O-N 2.97Å; I70-S73 PolarHBondContact O-OG 3.16Å; I70-S73 VanDerWaalsContact O-OG 3.13Å
74S54.4Low66.4Low93 Ų9388.6 Ų88.665%0.6547%0.465SS*.THydrogen-bonded Turntrans-91-1.5174.2-59.30000114.1I70 Y72I70-S74 PolarHBondContact O-N 3.12Å; I70-S74 PolarHBondContact O-OG 2.78Å; Y72-S74 PolarHBondContact O-N 3.46Å
75W48.7Very low64.9Low272 Ų27291.9 Ų91.9100%1.0347%0.468SS*.  trans-107.40174.3-77.589.7000111.2L71 Y72L71-W75 VanDerWaalsContact O-CD1 3.29Å; Y72-W75 PolarHBondContact O-N 3.45Å

Retrieved 75 of 75 residues in 44.9 ms (Link to these results)

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