A0A087WY09_HUMAN Loading...

Transcription termination factor 1

AlphaFold DB , UniProt , Accession A0A087WY09, Species HUMAN (Homo sapiens, Human), Gene TTF1, Length 390 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
1M51.5Low82.7Confident185 Ų18596.8 Ų96.891%0.91143%0.432SS*.  0-5.60-138.2-178.8-151.100114.4
2Y63Low83.7Confident114 Ų11490 Ų9045%0.44740%0.402SS..  trans-127.226.9-176.5-57.8-75.1000113.7D4 D5 L6 F9 P84Y2-D4 PolarHBondContact O-N 3.24Å; Y2-D5 PolarHBondContact O-N 3.29Å; Y2-L6 PolarHBondContact O-N 3.41Å; Y2-F9 HydrophobicContact CD1-CE2 4.28Å; Y2-P84 HydrophobicContact CD1-CB 4.08Å; Y2-P84 HydrophobicContact CD1-CG 4.3Å; Y2-P84 HydrophobicContact CE1-CB 3.79Å; Y2-P84 HydrophobicContact CE1-CG 3.74Å
3R74.8Confident84.4Confident233 Ų23396.6 Ų96.688%0.87943%0.43SS*.THydrogen-bonded Turntrans-55.1-41.2-172.3-170.2179.3-176.4-179.71.2112.1
4D80Confident85Confident56 Ų5696.2 Ų96.230%0.29945%0.453SS..THydrogen-bonded Turntrans-70.7-31.2179.1-57.7-23.1000111.7Y2 R74 L75Y2-D4 PolarHBondContact O-N 3.24Å; D4-R74 WeakPolarHBondContact OD2-CD 3.27Å; D4-R74 IonicContact OD2-CZ 3.2Å; D4-R74 IonicContact OD2-NE 3.62Å; D4-R74 IonicContact OD2-NH1 2.81Å; D4-R74 PolarHBondContact OD2-NH1 3.07Å; D4-L75 HydrophobicContact CB-CD2 4.03Å; D4-L75 WeakPolarHBondContact O-CD2 3.5Å
5D89.4Confident85.6Confident1 Ų198.7 Ų98.71%0.00546%0.464CS..THydrogen-bonded Turntrans-86.9-7.7-177.1-70.6-50.8000114.2Y2 E7 R8 F9 P84 W85Y2-D5 PolarHBondContact O-N 3.29Å; D5-E7 PolarHBondContact O-N 3.49Å; D5-R8 PolarHBondContact O-N 3.15Å; D5-R8 IonicContact OD1-CZ 2.59Å; D5-R8 IonicContact OD1-NH1 3.42Å; D5-R8 PolarHBondContact OD1-NH1 3.22Å; D5-R8 IonicContact OD1-NH2 3.58Å; D5-F9 HydrophobicContact CB-CD1 4.08Å; D5-F9 HydrophobicContact CB-CD2 4.09Å; D5-F9 HydrophobicContact CB-CE1 3.78Å; D5-F9 HydrophobicContact CB-CE2 3.77Å; D5-F9 HydrophobicContact CB-CG 4.25Å; D5-F9 HydrophobicContact CB-CZ 3.62Å; D5-F9 WeakPolarHBondContact O-CB 3.43Å; D5-F9 VanDerWaalsContact O-CG 3.31Å; D5-F9 WeakPolarHBondContact O-CG 3.48Å; D5-F9 PolarHBondContact O-N 3.49Å; D5-P84 VanDerWaalsContact OD2-CA 3.26Å; D5-P84 WeakPolarHBondContact OD2-CA 3.46Å; D5-W85 WeakPolarHBondContact OD1-CB 3.46Å; D5-W85 PolarHBondContact OD1-N 3.47Å; D5-W85 PolarHBondContact OD2-N 3.42Å
6L89.9Confident86Confident92 Ų9296.9 Ų96.948%0.48248%0.481SS..Hα-helixtrans-56.9-48.8-167.7-178.364.2000113.2Y2 F9 K10Y2-L6 PolarHBondContact O-N 3.41Å; L6-F9 PolarHBondContact O-N 2.99Å; L6-K10 WeakPolarHBondContact O-CG 3.3Å; L6-K10 PolarHBondContact O-N 3.17Å
7E90.2Very high86.2Confident110 Ų11094.6 Ų94.651%0.51447%0.473SS..Hα-helixtrans-66.5-46.4-178.4-64.8-53.1134.200111.5D5 F9 K10 E11D5-E7 PolarHBondContact O-N 3.49Å; E7-F9 PolarHBondContact O-N 2.76Å; E7-K10 WeakPolarHBondContact O-CB 3.47Å; E7-K10 PolarHBondContact O-N 3.44Å; E7-K10 VanDerWaalsContact O-N 3.09Å; E7-K10 IonicContact OE1-NZ 2.76Å; E7-K10 PolarHBondContact OE1-NZ 3.44Å; E7-K10 IonicContact OE2-NZ 3.49Å; E7-K10 PolarHBondContact OE2-NZ 3.39Å; E7-E11 WeakPolarHBondContact O-CG 3.3Å; E7-E11 PolarHBondContact O-N 3.37Å
8R92.6Very high86.3Confident21 Ų2193.4 Ų93.48%0.07948%0.48CS..Hα-helixtrans-56.4-38.4173.7-81.2171.851.3-132.2-14.8112.3D5 E11 F12 G78 I81 R83D5-R8 PolarHBondContact O-N 3.15Å; D5-R8 IonicContact OD1-CZ 2.59Å; D5-R8 IonicContact OD1-NH1 3.42Å; D5-R8 PolarHBondContact OD1-NH1 3.22Å; D5-R8 IonicContact OD1-NH2 3.58Å; R8-E11 WeakPolarHBondContact O-CB 3.49Å; R8-E11 PolarHBondContact O-N 3.02Å; R8-F12 HydrophobicContact CB-CE2 4.22Å; R8-F12 WeakPolarHBondContact O-CD2 3.41Å; R8-F12 WeakPolarHBondContact O-CG 3.49Å; R8-F12 PolarHBondContact O-N 3.09Å; R8-G78 PolarHBondContact NE-O 3.41Å; R8-G78 PolarHBondContact NH2-O 3.47Å; R8-I81 PolarHBondContact NH2-O 3.05Å; R8-R83 PolarHBondContact NH2-O 2.97Å
9F93.2Very high86.5Confident37 Ų3791.2 Ų91.216%0.16247%0.469CS..Hα-helixtrans-72.5-32.9179.3-72.10.4000112.8Y2 D5 L6 E7 E11 F12 K13 I19 P84Y2-F9 HydrophobicContact CD1-CE2 4.28Å; D5-F9 HydrophobicContact CB-CD1 4.08Å; D5-F9 HydrophobicContact CB-CD2 4.09Å; D5-F9 HydrophobicContact CB-CE1 3.78Å; D5-F9 HydrophobicContact CB-CE2 3.77Å; D5-F9 HydrophobicContact CB-CG 4.25Å; D5-F9 HydrophobicContact CB-CZ 3.62Å; D5-F9 WeakPolarHBondContact O-CB 3.43Å; D5-F9 VanDerWaalsContact O-CG 3.31Å; D5-F9 WeakPolarHBondContact O-CG 3.48Å; D5-F9 PolarHBondContact O-N 3.49Å; L6-F9 PolarHBondContact O-N 2.99Å; E7-F9 PolarHBondContact O-N 2.76Å; F9-E11 VanDerWaalsContact C-N 3.34Å; F9-F12 HydrophobicContact CD1-CD2 4.12Å; F9-K13 WeakPolarHBondContact O-CB 3.4Å; F9-K13 PolarHBondContact O-N 3.23Å; F9-I19 HydrophobicContact CB-CD1 4.25Å; F9-I19 HydrophobicContact CD1-CD1 3.4Å; F9-I19 VanDerWaalsContact CD1-CD1 3.4Å; F9-I19 HydrophobicContact CD1-CG1 4.25Å; F9-I19 HydrophobicContact CD2-CD1 4.35Å; F9-I19 HydrophobicContact CD2-CG1 4.35Å; F9-I19 HydrophobicContact CE1-CD1 3.7Å; F9-I19 HydrophobicContact CE1-CG1 4.4Å; F9-I19 HydrophobicContact CE1-CG2 4.3Å; F9-I19 HydrophobicContact CE2-CG2 4.36Å; F9-I19 HydrophobicContact CG-CD1 3.76Å; F9-I19 HydrophobicContact CG-CG1 4.21Å; F9-I19 HydrophobicContact CZ-CD1 4.29Å; F9-I19 HydrophobicContact CZ-CG2 3.98Å; F9-P84 HydrophobicContact CZ-CB 4.3Å; F9-P84 HydrophobicContact CZ-CG 3.96Å
10K92.4Very high86.6Confident111 Ų11190.8 Ų90.848%0.48346%0.463SS..Hα-helixtrans-63.5-43.1170-69.4171.6-176.8167.90110.8L6 E7 K13 A14L6-K10 WeakPolarHBondContact O-CG 3.3Å; L6-K10 PolarHBondContact O-N 3.17Å; E7-K10 WeakPolarHBondContact O-CB 3.47Å; E7-K10 PolarHBondContact O-N 3.44Å; E7-K10 VanDerWaalsContact O-N 3.09Å; E7-K10 IonicContact OE1-NZ 2.76Å; E7-K10 PolarHBondContact OE1-NZ 3.44Å; E7-K10 IonicContact OE2-NZ 3.49Å; E7-K10 PolarHBondContact OE2-NZ 3.39Å; K10-K13 PolarHBondContact O-N 2.9Å; K10-A14 WeakPolarHBondContact O-CB 3.32Å; K10-A14 PolarHBondContact O-N 3.35Å
11E93.1Very high86.5Confident105 Ų10592.5 Ų92.549%0.49147%0.468SS..Hα-helixtrans-60.3-49.3175.9-68167.5-176.500111.4E7 R8 F9 K13 A14 Q15E7-E11 WeakPolarHBondContact O-CG 3.3Å; E7-E11 PolarHBondContact O-N 3.37Å; R8-E11 WeakPolarHBondContact O-CB 3.49Å; R8-E11 PolarHBondContact O-N 3.02Å; F9-E11 VanDerWaalsContact C-N 3.34Å; E11-K13 VanDerWaalsContact C-N 3.32Å; E11-K13 PolarHBondContact O-N 3.31Å; E11-A14 PolarHBondContact O-N 2.95Å; E11-Q15 VanDerWaalsContact O-CG 3.3Å; E11-Q15 WeakPolarHBondContact O-CG 3.46Å; E11-Q15 PolarHBondContact O-N 3.19Å
12F94.1Very high88Confident15 Ų1586.5 Ų86.57%0.06645%0.453CS..Hα-helixtrans-60-42.5176.3-69.9-48.9000112R8 F9 A14 Q15 G16 V17 I19 I81 A82R8-F12 HydrophobicContact CB-CE2 4.22Å; R8-F12 WeakPolarHBondContact O-CD2 3.41Å; R8-F12 WeakPolarHBondContact O-CG 3.49Å; R8-F12 PolarHBondContact O-N 3.09Å; F9-F12 HydrophobicContact CD1-CD2 4.12Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 3.31Å; F12-Q15 CarbonylContact O-C 3.5Å; F12-Q15 PolarHBondContact O-N 3.1Å; F12-Q15 VanDerWaalsContact O-N 3.15Å; F12-G16 PolarHBondContact O-N 3.29Å; F12-G16 VanDerWaalsContact O-N 3.13Å; F12-V17 CarbonylContact C-O 3.48Å; F12-V17 HydrophobicContact CB-CB 4.06Å; F12-V17 HydrophobicContact CB-CG1 4.44Å; F12-V17 HydrophobicContact CD1-CB 4.16Å; F12-V17 HydrophobicContact CD1-CG1 4.14Å; F12-V17 HydrophobicContact CG-CB 4.48Å; F12-V17 HydrophobicContact CG-CG1 4.5Å; F12-V17 PolarHBondContact O-N 3.33Å; F12-I19 HydrophobicContact CB-CD1 4.15Å; F12-I19 HydrophobicContact CD2-CD1 4Å; F12-I19 HydrophobicContact CG-CD1 4.46Å; F12-I81 WeakPolarHBondContact CE2-O 3.37Å; F12-A82 HydrophobicContact CD1-CB 4.11Å; F12-A82 HydrophobicContact CD2-CB 3.97Å; F12-A82 HydrophobicContact CE1-CB 4.18Å; F12-A82 VanDerWaalsContact CE2-CA 3.49Å; F12-A82 HydrophobicContact CE2-CB 4.07Å; F12-A82 HydrophobicContact CG-CB 4.02Å; F12-A82 HydrophobicContact CZ-CB 4.17Å
13K92.8Very high89Confident176 Ų17687.2 Ų87.277%0.76546%0.459SS*.Hα-helixtrans-61.7-41.5176.2-172.2178.9180-177.20111.9F9 K10 E11 Q15 G16F9-K13 WeakPolarHBondContact O-CB 3.4Å; F9-K13 PolarHBondContact O-N 3.23Å; K10-K13 PolarHBondContact O-N 2.9Å; E11-K13 VanDerWaalsContact C-N 3.32Å; E11-K13 PolarHBondContact O-N 3.31Å; K13-Q15 VanDerWaalsContact C-N 3.27Å; K13-Q15 PolarHBondContact O-N 2.98Å; K13-G16 PolarHBondContact O-N 3.25Å; K13-G16 VanDerWaalsContact O-N 3.11Å
14A93.8Very high89.5Confident91 Ų9177 Ų7775%0.75242%0.42SS*.Hα-helixtrans-65.1-31.1176.200000112.5K10 E11 F12 G16K10-A14 WeakPolarHBondContact O-CB 3.32Å; K10-A14 PolarHBondContact O-N 3.35Å; E11-A14 PolarHBondContact O-N 2.95Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 3.31Å; A14-G16 VanDerWaalsContact C-N 3.27Å; A14-G16 PolarHBondContact O-N 3.33Å
15Q93.3Very high89.8Confident133 Ų13375.3 Ų75.362%0.62141%0.413SS*.THydrogen-bonded Turntrans-82.50.8174.4-65.516815.500113.4E11 F12 K13 V17E11-Q15 VanDerWaalsContact O-CG 3.3Å; E11-Q15 WeakPolarHBondContact O-CG 3.46Å; E11-Q15 PolarHBondContact O-N 3.19Å; F12-Q15 CarbonylContact O-C 3.5Å; F12-Q15 PolarHBondContact O-N 3.1Å; F12-Q15 VanDerWaalsContact O-N 3.15Å; K13-Q15 VanDerWaalsContact C-N 3.27Å; K13-Q15 PolarHBondContact O-N 2.98Å; Q15-V17 HydrophobicContact CB-CG2 4.03Å; Q15-V17 PolarHBondContact O-N 2.89Å
16G91.4Very high89.5Confident71 Ų7180.1 Ų80.173%0.73244%0.442SS*.THydrogen-bonded Turntrans71.213.4-175.100000114.4F12 K13 A14F12-G16 PolarHBondContact O-N 3.29Å; F12-G16 VanDerWaalsContact O-N 3.13Å; K13-G16 PolarHBondContact O-N 3.25Å; K13-G16 VanDerWaalsContact O-N 3.11Å; A14-G16 VanDerWaalsContact C-N 3.27Å; A14-G16 PolarHBondContact O-N 3.33Å
17V89.4Confident89.4Confident57 Ų5781.9 Ų81.935%0.34545%0.446SS..PPolyproline II helixtrans-87.9118.4-179.8-179.10000110.1F12 Q15 A82F12-V17 CarbonylContact C-O 3.48Å; F12-V17 HydrophobicContact CB-CB 4.06Å; F12-V17 HydrophobicContact CB-CG1 4.44Å; F12-V17 HydrophobicContact CD1-CB 4.16Å; F12-V17 HydrophobicContact CD1-CG1 4.14Å; F12-V17 HydrophobicContact CG-CB 4.48Å; F12-V17 HydrophobicContact CG-CG1 4.5Å; F12-V17 PolarHBondContact O-N 3.33Å; Q15-V17 HydrophobicContact CB-CG2 4.03Å; Q15-V17 PolarHBondContact O-N 2.89Å; V17-A82 HydrophobicContact CG1-CB 3.62Å
18A89.1Confident89.5Confident73 Ų7377.6 Ų77.660%0.60343%0.426SS*.PPolyproline II helixtrans-73.4144.417500000112.1K20A18-K20 PolarHBondContact O-N 2.83Å
19I90.5Very high89.5Confident52 Ų5277.7 Ų77.727%0.26743%0.428SS..PPolyproline II helixtrans-72.6122.6174.8-55.4-53.4000109.7F9 F12 F21 A82F9-I19 HydrophobicContact CB-CD1 4.25Å; F9-I19 HydrophobicContact CD1-CD1 3.4Å; F9-I19 VanDerWaalsContact CD1-CD1 3.4Å; F9-I19 HydrophobicContact CD1-CG1 4.25Å; F9-I19 HydrophobicContact CD2-CD1 4.35Å; F9-I19 HydrophobicContact CD2-CG1 4.35Å; F9-I19 HydrophobicContact CE1-CD1 3.7Å; F9-I19 HydrophobicContact CE1-CG1 4.4Å; F9-I19 HydrophobicContact CE1-CG2 4.3Å; F9-I19 HydrophobicContact CE2-CG2 4.36Å; F9-I19 HydrophobicContact CG-CD1 3.76Å; F9-I19 HydrophobicContact CG-CG1 4.21Å; F9-I19 HydrophobicContact CZ-CD1 4.29Å; F9-I19 HydrophobicContact CZ-CG2 3.98Å; F12-I19 HydrophobicContact CB-CD1 4.15Å; F12-I19 HydrophobicContact CD2-CD1 4Å; F12-I19 HydrophobicContact CG-CD1 4.46Å; I19-F21 HydrophobicContact CB-CE2 4.47Å; I19-F21 HydrophobicContact CG2-CE2 3.86Å; I19-F21 HydrophobicContact CG2-CZ 4.04Å; I19-A82 CarbonylContact C-O 3.17Å; I19-A82 WeakPolarHBondContact CA-O 3.42Å; I19-A82 HydrophobicContact CD1-CB 4.47Å
20K87.7Confident89.5Confident82 Ų8282.3 Ų82.336%0.35745%0.448SS..PPolyproline II helixtrans-95.4145.5-174.6-60-170178.6-168.60112.2A18 A82 R83 E267A18-K20 PolarHBondContact O-N 2.83Å; K20-A82 PolarHBondContact N-O 3.22Å; K20-R83 HydrophobicContact CB-CG 4.31Å; K20-R83 WeakPolarHBondContact O-CG 3.13Å; K20-R83 PolarHBondContact O-NH1 2.88Å; K20-E267 IonicContact NZ-OE1 2.6Å; K20-E267 PolarHBondContact NZ-OE1 2.96Å
21F85.3Confident89.7Confident127 Ų12779.4 Ų79.456%0.55744%0.436SS*.  trans-126.3168.2173.8-64.8-91.1000110.4I19 R83 P84 L87I19-F21 HydrophobicContact CB-CE2 4.47Å; I19-F21 HydrophobicContact CG2-CE2 3.86Å; I19-F21 HydrophobicContact CG2-CZ 4.04Å; F21-R83 VanDerWaalsContact CA-NH1 3.32Å; F21-R83 PolarHBondContact O-NH1 3.47Å; F21-P84 HydrophobicContact CE1-CG 3.8Å; F21-P84 HydrophobicContact CZ-CG 4.16Å; F21-L87 HydrophobicContact CD1-CD1 3.8Å; F21-L87 HydrophobicContact CE1-CD1 4.26Å
22G83.2Confident89.9Confident59 Ų5974.4 Ų74.461%0.60841%0.413SS*.SBendtrans85-143.5-178.700000115.1R83G22-R83 PolarHBondContact O-NH1 2.65Å
23K82.5Confident90.1Very high129 Ų12977.4 Ų77.456%0.56143%0.427SS*.SBendtrans-74.4141.3-172.4174177.7169.5-157.10111.1R83 N266K23-R83 PolarHBondContact O-NH2 3.49Å; K23-N266 WeakPolarHBondContact CB-ND2 3.09Å; K23-N266 WeakPolarHBondContact CD-ND2 3.39Å; K23-N266 WeakPolarHBondContact CG-ND2 3.48Å
24F86.3Confident90.3Very high18 Ų1874.1 Ų74.18%0.07941%0.413CS..PPolyproline II helixtrans-81.3131.5179.3-79.9-116.1000110.4E28 N29 I81 R83 L87 I88 R91F24-E28 WeakPolarHBondContact CA-OE2 3.34Å; F24-E28 HydrophobicContact CB-CB 4.48Å; F24-E28 HydrophobicContact CD1-CB 3.92Å; F24-N29 WeakPolarHBondContact CB-OD1 3.42Å; F24-I81 HydrophobicContact CE1-CG2 4.39Å; F24-R83 VanDerWaalsContact CZ-CD 3.47Å; F24-L87 HydrophobicContact CZ-CB 4.44Å; F24-I88 HydrophobicContact CE1-CG1 4.13Å; F24-I88 HydrophobicContact CZ-CB 4.46Å; F24-I88 HydrophobicContact CZ-CG1 4.07Å; F24-R91 HydrophobicContact CB-CG 4.34Å; F24-R91 HydrophobicContact CD1-CB 4.26Å; F24-R91 HydrophobicContact CD1-CG 3.76Å; F24-R91 HydrophobicContact CD2-CB 4.02Å; F24-R91 HydrophobicContact CD2-CG 3.86Å; F24-R91 HydrophobicContact CE1-CB 3.95Å; F24-R91 HydrophobicContact CE1-CG 3.95Å; F24-R91 HydrophobicContact CE2-CB 3.69Å; F24-R91 HydrophobicContact CE2-CG 4.05Å; F24-R91 HydrophobicContact CG-CB 4.3Å; F24-R91 HydrophobicContact CG-CG 3.72Å; F24-R91 HydrophobicContact CZ-CB 3.66Å; F24-R91 HydrophobicContact CZ-CG 4.1Å
25S85.3Confident90.5Very high22 Ų2269.9 Ų69.915%0.15438%0.378CS..PPolyproline II helixtrans-68.2166.1173.266.60000111.6K27 E28 N29S25-K27 VanDerWaalsContact C-N 3.31Å; S25-K27 PolarHBondContact O-N 3.21Å; S25-E28 PolarHBondContact N-OE2 3.42Å; S25-E28 PolarHBondContact O-N 2.86Å; S25-E28 WeakPolarHBondContact OG-CB 3.38Å; S25-E28 WeakPolarHBondContact OG-CG 3.42Å; S25-E28 PolarHBondContact OG-N 3.37Å; S25-E28 VanDerWaalsContact OG-N 3.16Å; S25-E28 PolarHBondContact OG-OE2 3.28Å; S25-E28 VanDerWaalsContact OG-OE2 3.07Å; S25-N29 VanDerWaalsContact O-CG 3.25Å; S25-N29 PolarHBondContact O-N 3.49Å; S25-N29 PolarHBondContact O-ND2 3.41Å
26V83.4Confident90.8Very high101 Ų10163.6 Ų63.661%0.61235%0.348SS*.Hα-helixtrans-61.6-41175178.80000111N29 K30V26-N29 PolarHBondContact O-N 3.18Å; V26-K30 HydrophobicContact CG1-CD 4.43Å; V26-K30 WeakPolarHBondContact O-CG 3.41Å; V26-K30 PolarHBondContact O-N 3.21Å
27K87.9Confident91.1Very high130 Ų13065.9 Ų65.957%0.56534%0.34SS*.Hα-helixtrans-60.9-45.1176.9-68.2-178.9179.5174.20111.6S25 N29 K30 Q31 E263S25-K27 VanDerWaalsContact C-N 3.31Å; S25-K27 PolarHBondContact O-N 3.21Å; K27-N29 VanDerWaalsContact C-N 3.34Å; K27-N29 PolarHBondContact O-N 2.99Å; K27-K30 PolarHBondContact O-N 3.35Å; K27-Q31 WeakPolarHBondContact O-CB 3.39Å; K27-Q31 PolarHBondContact O-N 3.27Å; K27-E263 VanDerWaalsContact CE-OE2 3.3Å; K27-E263 WeakPolarHBondContact CE-OE2 3.42Å; K27-E263 IonicContact NZ-OE1 2.87Å; K27-E263 PolarHBondContact NZ-OE1 2.89Å; K27-E263 IonicContact NZ-OE2 3.61Å; K27-E263 PolarHBondContact NZ-OE2 3.29Å
28E91.5Very high91.5Very high20 Ų2066.4 Ų66.49%0.09334%0.341CS..Hα-helixtrans-64.9-37.3177-70.3171.8124.300112.4F24 S25 Q31 L32 I81 R83F24-E28 WeakPolarHBondContact CA-OE2 3.34Å; F24-E28 HydrophobicContact CB-CB 4.48Å; F24-E28 HydrophobicContact CD1-CB 3.92Å; S25-E28 PolarHBondContact N-OE2 3.42Å; S25-E28 PolarHBondContact O-N 2.86Å; S25-E28 WeakPolarHBondContact OG-CB 3.38Å; S25-E28 WeakPolarHBondContact OG-CG 3.42Å; S25-E28 PolarHBondContact OG-N 3.37Å; S25-E28 VanDerWaalsContact OG-N 3.16Å; S25-E28 PolarHBondContact OG-OE2 3.28Å; S25-E28 VanDerWaalsContact OG-OE2 3.07Å; E28-Q31 PolarHBondContact O-N 3.23Å; E28-L32 VanDerWaalsContact O-CB 3.3Å; E28-L32 WeakPolarHBondContact O-CB 3.49Å; E28-L32 PolarHBondContact O-N 3.35Å; E28-I81 HydrophobicContact CG-CG2 4.44Å; E28-R83 VanDerWaalsContact CD-NE 3.34Å; E28-R83 IonicContact OE1-CZ 3.21Å; E28-R83 IonicContact OE1-NE 3.77Å; E28-R83 PolarHBondContact OE1-NE 3.04Å; E28-R83 IonicContact OE1-NH2 3.96Å; E28-R83 PolarHBondContact OE1-NH2 2.94Å; E28-R83 IonicContact OE2-CZ 2.91Å; E28-R83 IonicContact OE2-NE 3.9Å; E28-R83 PolarHBondContact OE2-NE 3.18Å; E28-R83 IonicContact OE2-NH2 3.82Å; E28-R83 PolarHBondContact OE2-NH2 2.75Å
29N92.4Very high91.9Very high22 Ų2263 Ų6312%0.11831%0.312CS..Hα-helixtrans-65.8-44.1176.1-67.1-39.3000111.5F24 S25 V26 K27 Q31 L32 E33 R91 M95F24-N29 WeakPolarHBondContact CB-OD1 3.42Å; S25-N29 VanDerWaalsContact O-CG 3.25Å; S25-N29 PolarHBondContact O-N 3.49Å; S25-N29 PolarHBondContact O-ND2 3.41Å; V26-N29 PolarHBondContact O-N 3.18Å; K27-N29 VanDerWaalsContact C-N 3.34Å; K27-N29 PolarHBondContact O-N 2.99Å; N29-Q31 PolarHBondContact O-N 2.86Å; N29-L32 WeakPolarHBondContact O-CB 3.45Å; N29-L32 PolarHBondContact O-N 3.3Å; N29-E33 WeakPolarHBondContact O-CG 3.45Å; N29-E33 PolarHBondContact O-N 2.94Å; N29-R91 VanDerWaalsContact CG-NH2 3.29Å; N29-R91 PolarHBondContact ND2-NH2 2.93Å; N29-R91 PolarHBondContact OD1-NE 3.32Å; N29-R91 PolarHBondContact OD1-NH2 2.95Å; N29-M95 HydrophobicContact CB-CE 3.83Å; N29-M95 HydrophobicContact CB-SD 4.11Å; N29-M95 PolarHBondContact OD1-SD 3.36Å
30K93.8Very high92.3Very high135 Ų13562 Ų6259%0.58731%0.307SS*.Hα-helixtrans-62.2-42175-72.5-178.6176.3-174.90112.1V26 K27 L32 E33 K34V26-K30 HydrophobicContact CG1-CD 4.43Å; V26-K30 WeakPolarHBondContact O-CG 3.41Å; V26-K30 PolarHBondContact O-N 3.21Å; K27-K30 PolarHBondContact O-N 3.35Å; K30-L32 VanDerWaalsContact C-N 3.31Å; K30-L32 PolarHBondContact O-N 3.35Å; K30-E33 PolarHBondContact O-N 3.33Å; K30-K34 PolarHBondContact O-N 2.93Å
31Q97.1Very high92.7Very high49 Ų4962.1 Ų62.123%0.22932%0.324CS..Hα-helixtrans-64.7-38.4175.7-174.25959.200111.5K27 E28 N29 K34 N35 N80 I81K27-Q31 WeakPolarHBondContact O-CB 3.39Å; K27-Q31 PolarHBondContact O-N 3.27Å; E28-Q31 PolarHBondContact O-N 3.23Å; N29-Q31 PolarHBondContact O-N 2.86Å; Q31-K34 PolarHBondContact O-N 3.35Å; Q31-N35 PolarHBondContact NE2-OD1 3.16Å; Q31-N35 WeakPolarHBondContact O-CB 2.87Å; Q31-N35 PolarHBondContact O-N 3.39Å; Q31-N35 PolarHBondContact O-ND2 3.13Å; Q31-N35 PolarHBondContact O-OD1 2.95Å; Q31-N80 HydrophobicContact CG-CB 4.16Å; Q31-I81 HydrophobicContact CB-CD1 4.38Å; Q31-I81 HydrophobicContact CB-CG1 4.19Å; Q31-I81 HydrophobicContact CG-CD1 4.24Å; Q31-I81 HydrophobicContact CG-CG1 3.84Å
32L97.4Very high93.3Very high0 Ų060.2 Ų60.20%032%0.319CS..Hα-helixtrans-66.6-39.9175.617954.7000112.1E28 N29 K30 N35 V36 I81 I88 R91 A92 M95E28-L32 VanDerWaalsContact O-CB 3.3Å; E28-L32 WeakPolarHBondContact O-CB 3.49Å; E28-L32 PolarHBondContact O-N 3.35Å; N29-L32 WeakPolarHBondContact O-CB 3.45Å; N29-L32 PolarHBondContact O-N 3.3Å; K30-L32 VanDerWaalsContact C-N 3.31Å; K30-L32 PolarHBondContact O-N 3.35Å; L32-N35 PolarHBondContact O-N 3.4Å; L32-V36 HydrophobicContact CD1-CG2 4.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.01Å; L32-V36 PolarHBondContact O-N 3.49Å; L32-I81 HydrophobicContact CB-CD1 3.89Å; L32-I81 HydrophobicContact CD1-CD1 4.46Å; L32-I88 HydrophobicContact CD1-CG2 3.49Å; L32-I88 VanDerWaalsContact CD1-CG2 3.49Å; L32-I88 HydrophobicContact CD2-CG2 4.19Å; L32-I88 HydrophobicContact CG-CG2 4.41Å; L32-R91 HydrophobicContact CD2-CB 4.08Å; L32-R91 HydrophobicContact CD2-CG 3.77Å; L32-A92 HydrophobicContact CD1-CB 4.12Å; L32-A92 HydrophobicContact CD2-CB 4.02Å; L32-A92 HydrophobicContact CG-CB 4.34Å; L32-M95 HydrophobicContact CD2-SD 3.89Å
33E97.3Very high94Very high78 Ų7858.4 Ų58.436%0.36430%0.296SS..Hα-helixtrans-56.4-53.4173.1-76.9160.4-170.800110.6N29 K30 N35 V36 E37 M95 F96N29-E33 WeakPolarHBondContact O-CG 3.45Å; N29-E33 PolarHBondContact O-N 2.94Å; K30-E33 PolarHBondContact O-N 3.33Å; E33-N35 VanDerWaalsContact C-N 3.35Å; E33-N35 PolarHBondContact O-N 3.11Å; E33-V36 PolarHBondContact O-N 2.7Å; E33-E37 WeakPolarHBondContact O-CG 3.4Å; E33-E37 PolarHBondContact O-N 3.17Å; E33-M95 HydrophobicContact CG-CE 3.6Å; E33-M95 WeakPolarHBondContact OE1-CE 3.04Å; E33-F96 HydrophobicContact CG-CZ 4.03Å
34K98.3Very high94.6Very high108 Ų10855.3 Ų55.347%0.4730%0.301SS..Hα-helixtrans-55.5-46.8175.5-177.2176.6178.7177.50112.6K30 Q31 V36 E37 D38K30-K34 PolarHBondContact O-N 2.93Å; Q31-K34 PolarHBondContact O-N 3.35Å; K34-V36 PolarHBondContact O-N 2.89Å; K34-E37 PolarHBondContact O-N 3.3Å; K34-D38 WeakPolarHBondContact O-CB 3.31Å; K34-D38 VanDerWaalsContact O-CG 3.24Å; K34-D38 PolarHBondContact O-N 2.84Å
35N98.1Very high95.1Very high2 Ų255.1 Ų55.11%0.01130%0.301CS..Hα-helixtrans-63.5-29.7179.8-67.7-9.9000112.7Q31 L32 E33 F39 H76 I77 R79Q31-N35 PolarHBondContact NE2-OD1 3.16Å; Q31-N35 WeakPolarHBondContact O-CB 2.87Å; Q31-N35 PolarHBondContact O-N 3.39Å; Q31-N35 PolarHBondContact O-ND2 3.13Å; Q31-N35 PolarHBondContact O-OD1 2.95Å; L32-N35 PolarHBondContact O-N 3.4Å; E33-N35 VanDerWaalsContact C-N 3.35Å; E33-N35 PolarHBondContact O-N 3.11Å; N35-F39 PolarHBondContact O-N 3.19Å; N35-H76 PolarHBondContact O-CD2 3.17Å; N35-H76 VanDerWaalsContact O-CD2 3.28Å; N35-H76 PolarHBondContact O-NE2 3.47Å; N35-I77 PolarHBondContact ND2-O 2.7Å; N35-R79 PolarHBondContact ND2-O 3.47Å
36V98Very high95.6Very high1 Ų161.2 Ų61.21%0.00633%0.327CS..Hα-helixtrans-74.9-46.2175168.40000110.2L32 E33 K34 D38 F39 L40 A48 L51 F96L32-V36 HydrophobicContact CD1-CG2 4.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.01Å; L32-V36 PolarHBondContact O-N 3.49Å; E33-V36 PolarHBondContact O-N 2.7Å; K34-V36 PolarHBondContact O-N 2.89Å; V36-D38 PolarHBondContact O-N 3.33Å; V36-F39 PolarHBondContact O-N 2.8Å; V36-F39 VanDerWaalsContact O-N 3.16Å; V36-L40 HydrophobicContact CG1-CD1 4.06Å; V36-L40 HydrophobicContact CG1-CG 4.36Å; V36-L40 VanDerWaalsContact O-CG 3.32Å; V36-L40 WeakPolarHBondContact O-CG 3.46Å; V36-L40 PolarHBondContact O-N 3.05Å; V36-A48 HydrophobicContact CG1-CB 3.9Å; V36-L51 HydrophobicContact CG1-CD2 4.19Å; V36-F96 HydrophobicContact CB-CE2 3.94Å; V36-F96 HydrophobicContact CB-CZ 3.94Å; V36-F96 HydrophobicContact CG1-CD2 4.47Å; V36-F96 HydrophobicContact CG1-CE1 4.32Å; V36-F96 HydrophobicContact CG1-CE2 4Å; V36-F96 HydrophobicContact CG1-CZ 3.9Å; V36-F96 HydrophobicContact CG2-CD2 4.35Å; V36-F96 HydrophobicContact CG2-CE2 3.7Å; V36-F96 HydrophobicContact CG2-CZ 4.23Å
37E97.9Very high96.2Very high118 Ų11858.2 Ų58.255%0.55131%0.31SS*.Hα-helixtrans-57.6-47.5176.1-70.4169.1-17800112E33 K34 F39 L40 A41E33-E37 WeakPolarHBondContact O-CG 3.4Å; E33-E37 PolarHBondContact O-N 3.17Å; K34-E37 PolarHBondContact O-N 3.3Å; E37-F39 VanDerWaalsContact C-N 3.26Å; E37-F39 PolarHBondContact O-N 2.9Å; E37-L40 PolarHBondContact O-N 3.19Å; E37-A41 WeakPolarHBondContact O-CB 3.3Å; E37-A41 PolarHBondContact O-N 3.31Å
38D98.1Very high96.6Very high69 Ų6952.7 Ų52.737%0.36929%0.289SS..Hα-helixtrans-57.9-39.3176.5-72.4-15.4000111.5K34 V36 L42K34-D38 WeakPolarHBondContact O-CB 3.31Å; K34-D38 VanDerWaalsContact O-CG 3.24Å; K34-D38 PolarHBondContact O-N 2.84Å; V36-D38 PolarHBondContact O-N 3.33Å; D38-L42 VanDerWaalsContact O-CB 3.27Å; D38-L42 WeakPolarHBondContact O-CB 3.49Å; D38-L42 PolarHBondContact O-N 2.91Å
39F98.2Very high96.6Very high0 Ų052.1 Ų52.10%029%0.286CS..Hα-helixtrans-71.2-40.1178.3-165.6-92.2000112.2N35 V36 E37 L42 T43 I45 L51 F73 H76N35-F39 PolarHBondContact O-N 3.19Å; V36-F39 PolarHBondContact O-N 2.8Å; V36-F39 VanDerWaalsContact O-N 3.16Å; E37-F39 VanDerWaalsContact C-N 3.26Å; E37-F39 PolarHBondContact O-N 2.9Å; F39-L42 PolarHBondContact O-N 3.11Å; F39-T43 HydrophobicContact CD1-CG2 4.04Å; F39-T43 HydrophobicContact CE1-CG2 3.59Å; F39-T43 HydrophobicContact CE2-CG2 4.24Å; F39-T43 HydrophobicContact CZ-CG2 3.7Å; F39-T43 WeakPolarHBondContact O-CB 3.1Å; F39-T43 WeakPolarHBondContact O-CG2 3.41Å; F39-T43 PolarHBondContact O-N 2.86Å; F39-T43 PolarHBondContact O-OG1 3.25Å; F39-I45 HydrophobicContact CE1-CD1 4.28Å; F39-L51 HydrophobicContact CD1-CD1 3.67Å; F39-L51 HydrophobicContact CD1-CD2 3.89Å; F39-L51 HydrophobicContact CD1-CG 4.46Å; F39-L51 HydrophobicContact CE1-CD1 3.59Å; F39-F73 AromaticContact CD1-CD2 3.81Å; F39-F73 HydrophobicContact CD1-CD2 3.81Å; F39-F73 HydrophobicContact CD1-CE2 4.16Å; F39-F73 AromaticContact CD2-CD2 3.93Å; F39-F73 HydrophobicContact CD2-CD2 3.93Å; F39-F73 AromaticContact CE1-CD2 3.7Å; F39-F73 HydrophobicContact CE1-CD2 3.7Å; F39-F73 HydrophobicContact CE1-CE2 4.37Å; F39-F73 HydrophobicContact CE1-CG 4.46Å; F39-F73 HydrophobicContact CE2-CB 3.89Å; F39-F73 AromaticContact CE2-CD2 3.83Å; F39-F73 HydrophobicContact CE2-CD2 3.83Å; F39-F73 HydrophobicContact CE2-CG 4.37Å; F39-F73 AromaticContact CG-CD2 3.93Å; F39-F73 HydrophobicContact CG-CD2 3.93Å; F39-F73 HydrophobicContact CG-CE2 4.37Å; F39-F73 HydrophobicContact CZ-CB 3.81Å; F39-F73 AromaticContact CZ-CD2 3.72Å; F39-F73 HydrophobicContact CZ-CD2 3.72Å; F39-F73 HydrophobicContact CZ-CG 4.19Å; F39-H76 HydrophobicContact CD2-CB 3.95Å; F39-H76 AromaticContact CD2-CD2 3.78Å; F39-H76 AromaticContact CD2-CG 3.6Å; F39-H76 AromaticContact CD2-ND1 3.8Å; F39-H76 HydrophobicContact CE2-CB 4.38Å; F39-H76 PolarHBondContact N-NE2 2.81Å
40L98Very high96.8Very high31 Ų3152 Ų5216%0.16229%0.285CS..Hα-helixtrans-62.7-47.1175.7-66.2172.7000110.1V36 E37 L42 T43 G44 I45 A48 L51V36-L40 HydrophobicContact CG1-CD1 4.06Å; V36-L40 HydrophobicContact CG1-CG 4.36Å; V36-L40 VanDerWaalsContact O-CG 3.32Å; V36-L40 WeakPolarHBondContact O-CG 3.46Å; V36-L40 PolarHBondContact O-N 3.05Å; E37-L40 PolarHBondContact O-N 3.19Å; L40-L42 VanDerWaalsContact C-N 3.34Å; L40-L42 PolarHBondContact O-N 3.1Å; L40-T43 PolarHBondContact O-N 2.84Å; L40-G44 WeakPolarHBondContact O-CA 3.5Å; L40-G44 PolarHBondContact O-N 2.75Å; L40-I45 HydrophobicContact CD2-CB 3.9Å; L40-I45 HydrophobicContact CD2-CG2 3.9Å; L40-I45 WeakPolarHBondContact CD2-O 3.38Å; L40-A48 HydrophobicContact CD1-CB 4.24Å; L40-L51 HydrophobicContact CD2-CB 3.99Å; L40-L51 HydrophobicContact CD2-CD2 3.8Å; L40-L51 HydrophobicContact CD2-CG 4.48Å; L40-L51 HydrophobicContact CG-CD2 4.28Å
41A97.8Very high96.9Very high86 Ų8645.6 Ų45.671%0.71126%0.257SS*.Hα-helixtrans-59.9-41.6176.500000112.5E37 T43E37-A41 WeakPolarHBondContact O-CB 3.3Å; E37-A41 PolarHBondContact O-N 3.31Å; A41-T43 VanDerWaalsContact C-N 3.34Å; A41-T43 PolarHBondContact O-N 3.24Å
42L97.5Very high96.8Very high86 Ų8643.3 Ų43.345%0.4525%0.246SC..Hα-helixtrans-66.5-33.1177.9177.463.1000113.4D38 F39 L40 Y71D38-L42 VanDerWaalsContact O-CB 3.27Å; D38-L42 WeakPolarHBondContact O-CB 3.49Å; D38-L42 PolarHBondContact O-N 2.91Å; F39-L42 PolarHBondContact O-N 3.11Å; L40-L42 VanDerWaalsContact C-N 3.34Å; L40-L42 PolarHBondContact O-N 3.1Å; L42-Y71 HydrophobicContact CD1-CE1 4.28Å; L42-Y71 HydrophobicContact CD2-CD1 3.76Å; L42-Y71 HydrophobicContact CD2-CE1 4.32Å; L42-Y71 HydrophobicContact CD2-CG 4Å; L42-Y71 HydrophobicContact CG-CD1 4.17Å; L42-Y71 HydrophobicContact CG-CE1 4.28Å; L42-Y71 HydrophobicContact CG-CG 4.43Å
43T97Very high96.5Very high21 Ų2144.9 Ų44.913%0.12925%0.252CS..Hα-helixtrans-105.4-15.8-17057.80000114.5F39 L40 A41 I45 L67 Y71F39-T43 HydrophobicContact CD1-CG2 4.04Å; F39-T43 HydrophobicContact CE1-CG2 3.59Å; F39-T43 HydrophobicContact CE2-CG2 4.24Å; F39-T43 HydrophobicContact CZ-CG2 3.7Å; F39-T43 WeakPolarHBondContact O-CB 3.1Å; F39-T43 WeakPolarHBondContact O-CG2 3.41Å; F39-T43 PolarHBondContact O-N 2.86Å; F39-T43 PolarHBondContact O-OG1 3.25Å; L40-T43 PolarHBondContact O-N 2.84Å; A41-T43 VanDerWaalsContact C-N 3.34Å; A41-T43 PolarHBondContact O-N 3.24Å; T43-I45 PolarHBondContact O-N 3.06Å; T43-I45 WeakPolarHBondContact OG1-CD1 3.38Å; T43-I45 WeakPolarHBondContact OG1-CG1 3.5Å; T43-L67 HydrophobicContact CG2-CB 4.33Å; T43-Y71 HydrophobicContact CG2-CD2 3.61Å; T43-Y71 HydrophobicContact CG2-CE2 4.03Å; T43-Y71 HydrophobicContact CG2-CG 4.35Å
44G96.4Very high96.3Very high64 Ų6441.9 Ų41.966%0.6624%0.239SC*.THydrogen-bonded Turntrans70.213.3-173.800000113.9L40 E46L40-G44 WeakPolarHBondContact O-CA 3.5Å; L40-G44 PolarHBondContact O-N 2.75Å; G44-E46 PolarHBondContact O-N 2.81Å
45I96.8Very high95.8Very high14 Ų1440.8 Ų40.87%0.07224%0.239CC..  trans-67.5128.5173.7-64.2167.6000108F39 L40 T43 S47 K50 L51 I64 L67F39-I45 HydrophobicContact CE1-CD1 4.28Å; L40-I45 HydrophobicContact CD2-CB 3.9Å; L40-I45 HydrophobicContact CD2-CG2 3.9Å; L40-I45 WeakPolarHBondContact CD2-O 3.38Å; T43-I45 PolarHBondContact O-N 3.06Å; T43-I45 WeakPolarHBondContact OG1-CD1 3.38Å; T43-I45 WeakPolarHBondContact OG1-CG1 3.5Å; I45-S47 VanDerWaalsContact C-N 3.34Å; I45-S47 PolarHBondContact O-N 3.17Å; I45-K50 HydrophobicContact CG2-CB 4.07Å; I45-L51 HydrophobicContact CD1-CD1 3.82Å; I45-L51 HydrophobicContact CG2-CB 4.24Å; I45-I64 HydrophobicContact CD1-CG1 4.31Å; I45-I64 HydrophobicContact CD1-CG2 3.94Å; I45-I64 HydrophobicContact CG1-CG1 4.42Å; I45-L67 HydrophobicContact CD1-CB 4.5Å; I45-L67 HydrophobicContact CD1-CD1 4.08Å; I45-L67 HydrophobicContact CG1-CD1 3.91Å
46E94.9Very high95.4Very high151 Ų15143.8 Ų43.871%0.70625%0.25SS*.SBendtrans-63.9-33.8-169.9-63.7171.2-170.400114.3G44 K50G44-E46 PolarHBondContact O-N 2.81Å; E46-K50 HydrophobicContact CB-CD 4.3Å; E46-K50 VanDerWaalsContact CD-NZ 3.31Å; E46-K50 IonicContact OE1-NZ 2.68Å; E46-K50 WeakPolarHBondContact OE2-CE 3.47Å; E46-K50 IonicContact OE2-NZ 2.75Å; E46-K50 PolarHBondContact OE2-NZ 2.89Å
47S95.9Very high95.1Very high38 Ų3846.9 Ų46.927%0.26626%0.262SS..  trans-149154.4-174.477.80000114.2I45 D49 K50 L51I45-S47 VanDerWaalsContact C-N 3.34Å; I45-S47 PolarHBondContact O-N 3.17Å; S47-D49 PolarHBondContact O-N 3.13Å; S47-K50 PolarHBondContact O-N 3.48Å; S47-K50 PolarHBondContact OG-N 2.86Å; S47-L51 PolarHBondContact O-N 3.36Å
48A95.3Very high94.9Very high13 Ų1345.3 Ų45.311%0.10726%0.262CS..Hα-helixtrans-62.2-30.1173.300000112.4V36 L40 L51 L52 F96V36-A48 HydrophobicContact CG1-CB 3.9Å; L40-A48 HydrophobicContact CD1-CB 4.24Å; A48-L51 PolarHBondContact O-N 2.65Å; A48-L52 VanDerWaalsContact O-CB 3.29Å; A48-L52 WeakPolarHBondContact O-CB 3.41Å; A48-L52 WeakPolarHBondContact O-CG 2.96Å; A48-L52 PolarHBondContact O-N 2.95Å; A48-F96 HydrophobicContact CB-CB 3.84Å; A48-F96 HydrophobicContact CB-CD1 3.41Å; A48-F96 VanDerWaalsContact CB-CD1 3.41Å; A48-F96 HydrophobicContact CB-CD2 4.43Å; A48-F96 HydrophobicContact CB-CE1 4.02Å; A48-F96 HydrophobicContact CB-CG 3.64Å
49D93.2Very high94.8Very high9 Ų949.3 Ų49.35%0.04828%0.278CS..Hα-helixtrans-66.4-48.6176.4-160.978000110.7S47 L51 L52 Y53 R56 Y57 V98S47-D49 PolarHBondContact O-N 3.13Å; D49-L51 VanDerWaalsContact C-N 3.29Å; D49-L51 PolarHBondContact O-N 2.75Å; D49-L52 PolarHBondContact O-N 2.88Å; D49-Y53 WeakPolarHBondContact O-CA 3.35Å; D49-Y53 WeakPolarHBondContact O-CB 3.28Å; D49-Y53 PolarHBondContact O-N 2.98Å; D49-Y53 WeakPolarHBondContact OD1-CD2 3.39Å; D49-R56 IonicContact OD1-CZ 2.75Å; D49-R56 IonicContact OD1-NH1 2.7Å; D49-R56 PolarHBondContact OD1-NH1 3.04Å; D49-R56 IonicContact OD2-NH1 2.71Å; D49-R56 PolarHBondContact OD2-NH1 3.34Å; D49-Y57 WeakPolarHBondContact OD2-CE2 3.43Å; D49-Y57 PolarHBondContact OD2-OH 2.98Å; D49-V98 HydrophobicContact CB-CG1 4.15Å
50K95Very high94.6Very high20 Ų2052.3 Ų52.39%0.08729%0.293CS..Hα-helixtrans-57-44.2173-75.2-176.3171-165.80111.6I45 E46 S47 L52 T54 Y57 E60 I64I45-K50 HydrophobicContact CG2-CB 4.07Å; E46-K50 HydrophobicContact CB-CD 4.3Å; E46-K50 VanDerWaalsContact CD-NZ 3.31Å; E46-K50 IonicContact OE1-NZ 2.68Å; E46-K50 WeakPolarHBondContact OE2-CE 3.47Å; E46-K50 IonicContact OE2-NZ 2.75Å; E46-K50 PolarHBondContact OE2-NZ 2.89Å; S47-K50 PolarHBondContact O-N 3.48Å; S47-K50 PolarHBondContact OG-N 2.86Å; K50-L52 PolarHBondContact O-N 3.1Å; K50-T54 WeakPolarHBondContact O-CG2 3.45Å; K50-T54 PolarHBondContact O-N 2.93Å; K50-Y57 HydrophobicContact CB-CD2 4.24Å; K50-Y57 HydrophobicContact CB-CE2 4.24Å; K50-Y57 HydrophobicContact CG-CD1 4.01Å; K50-Y57 HydrophobicContact CG-CD2 3.74Å; K50-Y57 HydrophobicContact CG-CE1 3.89Å; K50-Y57 HydrophobicContact CG-CE2 3.6Å; K50-Y57 HydrophobicContact CG-CG 3.93Å; K50-E60 VanDerWaalsContact CE-OE1 3.25Å; K50-E60 WeakPolarHBondContact CE-OE1 3.45Å; K50-E60 IonicContact NZ-OE1 3.53Å; K50-E60 PolarHBondContact NZ-OE1 3.48Å; K50-E60 IonicContact NZ-OE2 3.52Å; K50-E60 PolarHBondContact NZ-OE2 3.49Å; K50-I64 HydrophobicContact CB-CD1 4.14Å
51L96.5Very high94.5Very high0 Ų055 Ų550%030%0.303CS..Hα-helixtrans-61.2-42.8177.4177.463000112.4V36 F39 L40 I45 S47 A48 D49 K68 F73V36-L51 HydrophobicContact CG1-CD2 4.19Å; F39-L51 HydrophobicContact CD1-CD1 3.67Å; F39-L51 HydrophobicContact CD1-CD2 3.89Å; F39-L51 HydrophobicContact CD1-CG 4.46Å; F39-L51 HydrophobicContact CE1-CD1 3.59Å; L40-L51 HydrophobicContact CD2-CB 3.99Å; L40-L51 HydrophobicContact CD2-CD2 3.8Å; L40-L51 HydrophobicContact CD2-CG 4.48Å; L40-L51 HydrophobicContact CG-CD2 4.28Å; I45-L51 HydrophobicContact CD1-CD1 3.82Å; I45-L51 HydrophobicContact CG2-CB 4.24Å; S47-L51 PolarHBondContact O-N 3.36Å; A48-L51 PolarHBondContact O-N 2.65Å; D49-L51 VanDerWaalsContact C-N 3.29Å; D49-L51 PolarHBondContact O-N 2.75Å; L51-K68 HydrophobicContact CD1-CG 4.3Å; L51-K68 WeakPolarHBondContact O-CE 3.21Å; L51-K68 PolarHBondContact O-NZ 3.4Å; L51-F73 HydrophobicContact CD1-CD2 4.18Å; L51-F73 HydrophobicContact CD1-CE2 3.79Å; L51-F73 HydrophobicContact CD1-CZ 4.24Å; L51-F73 HydrophobicContact CD2-CE2 3.83Å; L51-F73 HydrophobicContact CD2-CZ 4.39Å; L51-F73 HydrophobicContact CG-CE2 3.95Å; L51-F73 HydrophobicContact CG-CZ 4.19Å
52L95Very high94.4Very high1 Ų154.5 Ų54.51%0.00529%0.294CS..Hα-helixtrans-98.5-25.4-169.2-67.4167.5000114.1A48 D49 K50 F73 Y89 A92 K93 F96A48-L52 VanDerWaalsContact O-CB 3.29Å; A48-L52 WeakPolarHBondContact O-CB 3.41Å; A48-L52 WeakPolarHBondContact O-CG 2.96Å; A48-L52 PolarHBondContact O-N 2.95Å; D49-L52 PolarHBondContact O-N 2.88Å; K50-L52 PolarHBondContact O-N 3.1Å; L52-F73 HydrophobicContact CD2-CZ 3.97Å; L52-Y89 HydrophobicContact CD2-CD2 4.04Å; L52-Y89 HydrophobicContact CD2-CE2 3.74Å; L52-Y89 PolarHBondContact O-OH 2.95Å; L52-A92 HydrophobicContact CD1-CB 4.04Å; L52-A92 HydrophobicContact CD2-CB 3.97Å; L52-K93 HydrophobicContact CB-CG 4.34Å; L52-K93 HydrophobicContact CD2-CG 4.48Å; L52-F96 HydrophobicContact CD1-CB 3.55Å; L52-F96 HydrophobicContact CD1-CD2 3.65Å; L52-F96 HydrophobicContact CD1-CG 3.9Å
53Y92.3Very high94.4Very high32 Ų3254.4 Ų54.413%0.12530%0.297CS..  trans-121.247-177.3-67-83.9000111.8D49 D55 R56 K93 D97D49-Y53 WeakPolarHBondContact O-CA 3.35Å; D49-Y53 WeakPolarHBondContact O-CB 3.28Å; D49-Y53 PolarHBondContact O-N 2.98Å; D49-Y53 WeakPolarHBondContact OD1-CD2 3.39Å; Y53-D55 PolarHBondContact O-N 3.47Å; Y53-R56 WeakPolarHBondContact O-CB 3.25Å; Y53-R56 PolarHBondContact O-N 3.17Å; Y53-K93 VanDerWaalsContact CE1-CE 3.44Å; Y53-K93 HydrophobicContact CE2-CB 4.38Å; Y53-K93 WeakPolarHBondContact CE2-O 3.46Å; Y53-K93 PolarHBondContact OH-O 3.4Å; Y53-D97 HydrophobicContact CE2-CB 3.72Å; Y53-D97 VanDerWaalsContact CZ-CG 3.47Å; Y53-D97 VanDerWaalsContact OH-CB 3.24Å; Y53-D97 WeakPolarHBondContact OH-CB 3.48Å; Y53-D97 PolarHBondContact OH-OD2 3.49Å
54T92.2Very high94.3Very high15 Ų1553.6 Ų53.69%0.09229%0.292CS..G310 helixtrans-51.9-24.2-179.848.80000115.1K50 R56 Y57 I64K50-T54 WeakPolarHBondContact O-CG2 3.45Å; K50-T54 PolarHBondContact O-N 2.93Å; T54-R56 PolarHBondContact O-N 3.49Å; T54-Y57 CarbonylContact O-C 3.59Å; T54-Y57 PolarHBondContact O-N 3.48Å; T54-I64 HydrophobicContact CG2-CB 3.92Å; T54-I64 HydrophobicContact CG2-CD1 4.16Å; T54-I64 HydrophobicContact CG2-CG2 3.38Å
55D88.7Confident94.3Very high85 Ų8553.1 Ų53.146%0.45528%0.276SS..G310 helixtrans-68.2-17.1177-63.9-42.7000113.6Y53 Y57 K61Y53-D55 PolarHBondContact O-N 3.47Å; D55-Y57 VanDerWaalsContact C-N 3.29Å; D55-K61 WeakPolarHBondContact OD1-CE 3.37Å; D55-K61 IonicContact OD1-NZ 2.65Å; D55-K61 PolarHBondContact OD1-NZ 3.05Å
56R88.8Confident94.3Very high66 Ų6656.9 Ų56.925%0.24930%0.296CS..G310 helixtrans-80.9-11174-61.2179.1-174.41600.3112.9D49 Y53 T54 D97D49-R56 IonicContact OD1-CZ 2.75Å; D49-R56 IonicContact OD1-NH1 2.7Å; D49-R56 PolarHBondContact OD1-NH1 3.04Å; D49-R56 IonicContact OD2-NH1 2.71Å; D49-R56 PolarHBondContact OD2-NH1 3.34Å; Y53-R56 WeakPolarHBondContact O-CB 3.25Å; Y53-R56 PolarHBondContact O-N 3.17Å; T54-R56 PolarHBondContact O-N 3.49Å; R56-D97 IonicContact CZ-OD1 2.9Å; R56-D97 IonicContact NH1-OD1 3.48Å; R56-D97 IonicContact NH2-OD1 3.13Å; R56-D97 PolarHBondContact NH2-OD1 3.42Å; R56-D97 IonicContact NH2-OD2 2.94Å
57Y92.4Very high94.5Very high65 Ų6551.3 Ų51.326%0.25527%0.271SS..  trans-129.870.7-173.8-56.1-82.6000109.5D49 K50 T54 D55 E59 E60 K61D49-Y57 WeakPolarHBondContact OD2-CE2 3.43Å; D49-Y57 PolarHBondContact OD2-OH 2.98Å; K50-Y57 HydrophobicContact CB-CD2 4.24Å; K50-Y57 HydrophobicContact CB-CE2 4.24Å; K50-Y57 HydrophobicContact CG-CD1 4.01Å; K50-Y57 HydrophobicContact CG-CD2 3.74Å; K50-Y57 HydrophobicContact CG-CE1 3.89Å; K50-Y57 HydrophobicContact CG-CE2 3.6Å; K50-Y57 HydrophobicContact CG-CG 3.93Å; T54-Y57 CarbonylContact O-C 3.59Å; T54-Y57 PolarHBondContact O-N 3.48Å; D55-Y57 VanDerWaalsContact C-N 3.29Å; Y57-E59 PolarHBondContact O-N 3.36Å; Y57-E60 PolarHBondContact O-N 3.47Å; Y57-K61 WeakPolarHBondContact O-CB 3.26Å; Y57-K61 PolarHBondContact O-N 2.95Å
58P93.2Very high94.5Very high85 Ų8551 Ų5155%0.55227%0.265SS*.THydrogen-bonded Turntrans-60.8-32.1-172.523.8-32.4000113.1
59E95.4Very high94.5Very high153 Ų15359.1 Ų59.172%0.71529%0.293SS*.THydrogen-bonded Turntrans-65.7-38.1179-56.581.4-174.500112.1Y57Y57-E59 PolarHBondContact O-N 3.36Å
60E94.6Very high94.7Very high64 Ų6467.8 Ų67.830%0.29933%0.325SS..THydrogen-bonded Turntrans-95.9-9.2-176-65.9173.5-110.900113.2K50 Y57 S62 V63 I64K50-E60 VanDerWaalsContact CE-OE1 3.25Å; K50-E60 WeakPolarHBondContact CE-OE1 3.45Å; K50-E60 IonicContact NZ-OE1 3.53Å; K50-E60 PolarHBondContact NZ-OE1 3.48Å; K50-E60 IonicContact NZ-OE2 3.52Å; K50-E60 PolarHBondContact NZ-OE2 3.49Å; Y57-E60 PolarHBondContact O-N 3.47Å; E60-S62 VanDerWaalsContact C-N 3.33Å; E60-S62 PolarHBondContact O-N 2.86Å; E60-V63 PolarHBondContact O-N 3.01Å; E60-I64 HydrophobicContact CB-CD1 3.84Å; E60-I64 HydrophobicContact CB-CG1 4.38Å; E60-I64 WeakPolarHBondContact O-CG1 3.31Å; E60-I64 PolarHBondContact O-N 2.9Å
61K95.3Very high94.7Very high88 Ų8870.4 Ų70.438%0.38334%0.335SS..Hα-helixtrans-55.6-42.6-171.4177.5170.7173.7168.80113.5D55 Y57 T65D55-K61 WeakPolarHBondContact OD1-CE 3.37Å; D55-K61 IonicContact OD1-NZ 2.65Å; D55-K61 PolarHBondContact OD1-NZ 3.05Å; Y57-K61 WeakPolarHBondContact O-CB 3.26Å; Y57-K61 PolarHBondContact O-N 2.95Å; K61-T65 VanDerWaalsContact O-CB 3.28Å; K61-T65 WeakPolarHBondContact O-CB 3.32Å; K61-T65 PolarHBondContact O-N 3.31Å; K61-T65 PolarHBondContact O-OG1 2.95Å
62S96.2Very high94.6Very high74 Ų7473.5 Ų73.552%0.51736%0.356SS..Hα-helixtrans-66.6-46.4-178.961.60000111.2E60 T65 N66E60-S62 VanDerWaalsContact C-N 3.33Å; E60-S62 PolarHBondContact O-N 2.86Å; S62-T65 PolarHBondContact O-N 3.01Å; S62-N66 PolarHBondContact O-N 3.2Å; S62-N66 PolarHBondContact O-ND2 3.33Å
63V96.8Very high94.7Very high84 Ų8473.9 Ų73.951%0.50936%0.358SS..Hα-helixtrans-60.9-50.8178.31800000110.4E60 T65 N66 L67E60-V63 PolarHBondContact O-N 3.01Å; V63-T65 VanDerWaalsContact C-N 3.3Å; V63-T65 PolarHBondContact O-N 3.21Å; V63-N66 PolarHBondContact O-N 3.23Å; V63-L67 HydrophobicContact CG1-CD1 4.12Å; V63-L67 WeakPolarHBondContact O-CG 3.47Å; V63-L67 PolarHBondContact O-N 2.94Å
64I96.6Very high94.8Very high4 Ų478.3 Ų78.32%0.02138%0.375CS..Hα-helixtrans-62-39.7179.3-63.9167000111.1I45 K50 T54 E60 N66 L67 K68I45-I64 HydrophobicContact CD1-CG1 4.31Å; I45-I64 HydrophobicContact CD1-CG2 3.94Å; I45-I64 HydrophobicContact CG1-CG1 4.42Å; K50-I64 HydrophobicContact CB-CD1 4.14Å; T54-I64 HydrophobicContact CG2-CB 3.92Å; T54-I64 HydrophobicContact CG2-CD1 4.16Å; T54-I64 HydrophobicContact CG2-CG2 3.38Å; E60-I64 HydrophobicContact CB-CD1 3.84Å; E60-I64 HydrophobicContact CB-CG1 4.38Å; E60-I64 WeakPolarHBondContact O-CG1 3.31Å; E60-I64 PolarHBondContact O-N 2.9Å; I64-N66 VanDerWaalsContact C-N 3.34Å; I64-N66 PolarHBondContact O-N 3.35Å; I64-L67 PolarHBondContact O-N 3.23Å; I64-K68 HydrophobicContact CG2-CD 4.35Å; I64-K68 WeakPolarHBondContact O-CG 3.48Å; I64-K68 PolarHBondContact O-N 2.71Å
65T96.1Very high94.8Very high55 Ų5580.8 Ų80.834%0.33739%0.387SS..Hα-helixtrans-64.5-40.2177.8-60.40000111.8K61 S62 V63 K68 R69K61-T65 VanDerWaalsContact O-CB 3.28Å; K61-T65 WeakPolarHBondContact O-CB 3.32Å; K61-T65 PolarHBondContact O-N 3.31Å; K61-T65 PolarHBondContact O-OG1 2.95Å; S62-T65 PolarHBondContact O-N 3.01Å; V63-T65 VanDerWaalsContact C-N 3.3Å; V63-T65 PolarHBondContact O-N 3.21Å; T65-K68 PolarHBondContact O-N 2.95Å; T65-R69 PolarHBondContact O-N 2.85Å; T65-R69 VanDerWaalsContact O-N 3.1Å
66N96.7Very high95.2Very high93 Ų9377 Ų7750%0.49737%0.367SS..Hα-helixtrans-65.3-42.9175.6-73.5-25.3000111.6S62 V63 I64 K68 R69 R70S62-N66 PolarHBondContact O-N 3.2Å; S62-N66 PolarHBondContact O-ND2 3.33Å; V63-N66 PolarHBondContact O-N 3.23Å; I64-N66 VanDerWaalsContact C-N 3.34Å; I64-N66 PolarHBondContact O-N 3.35Å; N66-K68 PolarHBondContact O-N 3.18Å; N66-R69 PolarHBondContact O-N 3.03Å; N66-R70 WeakPolarHBondContact O-CB 3.46Å; N66-R70 PolarHBondContact O-N 2.72Å
67L97.4Very high95.5Very high34 Ų3473.9 Ų73.918%0.17836%0.355CS..Hα-helixtrans-60.1-45.2174.7-70.3168000111.6T43 I45 V63 I64 R69 R70 Y71T43-L67 HydrophobicContact CG2-CB 4.33Å; I45-L67 HydrophobicContact CD1-CB 4.5Å; I45-L67 HydrophobicContact CD1-CD1 4.08Å; I45-L67 HydrophobicContact CG1-CD1 3.91Å; V63-L67 HydrophobicContact CG1-CD1 4.12Å; V63-L67 WeakPolarHBondContact O-CG 3.47Å; V63-L67 PolarHBondContact O-N 2.94Å; I64-L67 PolarHBondContact O-N 3.23Å; L67-R69 VanDerWaalsContact C-N 3.27Å; L67-R69 PolarHBondContact O-N 2.7Å; L67-R70 PolarHBondContact O-N 2.69Å; L67-Y71 HydrophobicContact CD2-CD2 4.35Å; L67-Y71 HydrophobicContact CD2-CE2 3.92Å; L67-Y71 WeakPolarHBondContact O-CD2 3.48Å; L67-Y71 PolarHBondContact O-N 3.36Å
68K96.5Very high95.6Very high31 Ų3170.8 Ų70.814%0.13534%0.343CS..Hα-helixtrans-57.9-39.5175.6-75.1174.7179.5170.30113L51 I64 T65 N66 S72 F73L51-K68 HydrophobicContact CD1-CG 4.3Å; L51-K68 WeakPolarHBondContact O-CE 3.21Å; L51-K68 PolarHBondContact O-NZ 3.4Å; I64-K68 HydrophobicContact CG2-CD 4.35Å; I64-K68 WeakPolarHBondContact O-CG 3.48Å; I64-K68 PolarHBondContact O-N 2.71Å; T65-K68 PolarHBondContact O-N 2.95Å; N66-K68 PolarHBondContact O-N 3.18Å; K68-S72 PolarHBondContact O-N 3.43Å; K68-F73 HydrophobicContact CB-CB 3.73Å; K68-F73 HydrophobicContact CB-CD1 4.48Å; K68-F73 HydrophobicContact CB-CG 4.25Å; K68-F73 HydrophobicContact CD-CD1 4.04Å; K68-F73 HydrophobicContact CD-CE1 4.44Å; K68-F73 HydrophobicContact CD-CG 4.38Å; K68-F73 HydrophobicContact CG-CB 3.84Å; K68-F73 HydrophobicContact CG-CD1 3.99Å; K68-F73 HydrophobicContact CG-CD2 4.39Å; K68-F73 HydrophobicContact CG-CG 3.82Å; K68-F73 WeakPolarHBondContact O-CB 3.45Å; K68-F73 PolarHBondContact O-N 3.27Å
69R95.5Very high95.7Very high184 Ų18472.7 Ų72.769%0.69434%0.339SS*.Hα-helixtrans-70.1-50.3177-171.2-174.7-62161.41.8110.8T65 N66 L67 Y71 S72T65-R69 PolarHBondContact O-N 2.85Å; T65-R69 VanDerWaalsContact O-N 3.1Å; N66-R69 PolarHBondContact O-N 3.03Å; L67-R69 VanDerWaalsContact C-N 3.27Å; L67-R69 PolarHBondContact O-N 2.7Å; R69-Y71 VanDerWaalsContact C-N 3.3Å; R69-Y71 PolarHBondContact O-N 2.85Å; R69-S72 PolarHBondContact O-N 3.05Å
70R96.8Very high95.6Very high190 Ų19071.4 Ų71.472%0.71734%0.337SS*.Hα-helixtrans-56.5-42.7-177.9-176.9174.8-179.6168.40.2112.2N66 L67N66-R70 WeakPolarHBondContact O-CB 3.46Å; N66-R70 PolarHBondContact O-N 2.72Å; L67-R70 PolarHBondContact O-N 2.69Å
71Y96.3Very high95.6Very high75 Ų7568.4 Ų68.429%0.29432%0.323SS..THydrogen-bonded Turntrans-102.518.7-176.2-62.8-69.6000113.9L42 T43 L67 R69 F73L42-Y71 HydrophobicContact CD1-CE1 4.28Å; L42-Y71 HydrophobicContact CD2-CD1 3.76Å; L42-Y71 HydrophobicContact CD2-CE1 4.32Å; L42-Y71 HydrophobicContact CD2-CG 4Å; L42-Y71 HydrophobicContact CG-CD1 4.17Å; L42-Y71 HydrophobicContact CG-CE1 4.28Å; L42-Y71 HydrophobicContact CG-CG 4.43Å; T43-Y71 HydrophobicContact CG2-CD2 3.61Å; T43-Y71 HydrophobicContact CG2-CE2 4.03Å; T43-Y71 HydrophobicContact CG2-CG 4.35Å; L67-Y71 HydrophobicContact CD2-CD2 4.35Å; L67-Y71 HydrophobicContact CD2-CE2 3.92Å; L67-Y71 WeakPolarHBondContact O-CD2 3.48Å; L67-Y71 PolarHBondContact O-N 3.36Å; R69-Y71 VanDerWaalsContact C-N 3.3Å; R69-Y71 PolarHBondContact O-N 2.85Å; Y71-F73 VanDerWaalsContact C-N 3.3Å; Y71-F73 PolarHBondContact O-N 3.35Å
72S95Very high95.6Very high65 Ų6564.7 Ų64.746%0.45531%0.308SS..THydrogen-bonded Turntrans4850.3175.9-63.60000113.2K68 R69 R74 L75 H76K68-S72 PolarHBondContact O-N 3.43Å; R69-S72 PolarHBondContact O-N 3.05Å; S72-R74 PolarHBondContact O-N 3.48Å; S72-L75 WeakPolarHBondContact O-CB 3.21Å; S72-L75 PolarHBondContact O-N 2.75Å; S72-H76 PolarHBondContact O-N 3.16Å; S72-H76 VanDerWaalsContact O-N 3.1Å
73F96Very high95.4Very high10 Ų1061.5 Ų61.54%0.04429%0.285CS..Hα-helixtrans-45.6-41-172.7172.4-112.7000113.9F39 L51 L52 K68 Y71 L75 H76 I77 Y89F39-F73 AromaticContact CD1-CD2 3.81Å; F39-F73 HydrophobicContact CD1-CD2 3.81Å; F39-F73 HydrophobicContact CD1-CE2 4.16Å; F39-F73 AromaticContact CD2-CD2 3.93Å; F39-F73 HydrophobicContact CD2-CD2 3.93Å; F39-F73 AromaticContact CE1-CD2 3.7Å; F39-F73 HydrophobicContact CE1-CD2 3.7Å; F39-F73 HydrophobicContact CE1-CE2 4.37Å; F39-F73 HydrophobicContact CE1-CG 4.46Å; F39-F73 HydrophobicContact CE2-CB 3.89Å; F39-F73 AromaticContact CE2-CD2 3.83Å; F39-F73 HydrophobicContact CE2-CD2 3.83Å; F39-F73 HydrophobicContact CE2-CG 4.37Å; F39-F73 AromaticContact CG-CD2 3.93Å; F39-F73 HydrophobicContact CG-CD2 3.93Å; F39-F73 HydrophobicContact CG-CE2 4.37Å; F39-F73 HydrophobicContact CZ-CB 3.81Å; F39-F73 AromaticContact CZ-CD2 3.72Å; F39-F73 HydrophobicContact CZ-CD2 3.72Å; F39-F73 HydrophobicContact CZ-CG 4.19Å; L51-F73 HydrophobicContact CD1-CD2 4.18Å; L51-F73 HydrophobicContact CD1-CE2 3.79Å; L51-F73 HydrophobicContact CD1-CZ 4.24Å; L51-F73 HydrophobicContact CD2-CE2 3.83Å; L51-F73 HydrophobicContact CD2-CZ 4.39Å; L51-F73 HydrophobicContact CG-CE2 3.95Å; L51-F73 HydrophobicContact CG-CZ 4.19Å; L52-F73 HydrophobicContact CD2-CZ 3.97Å; K68-F73 HydrophobicContact CB-CB 3.73Å; K68-F73 HydrophobicContact CB-CD1 4.48Å; K68-F73 HydrophobicContact CB-CG 4.25Å; K68-F73 HydrophobicContact CD-CD1 4.04Å; K68-F73 HydrophobicContact CD-CE1 4.44Å; K68-F73 HydrophobicContact CD-CG 4.38Å; K68-F73 HydrophobicContact CG-CB 3.84Å; K68-F73 HydrophobicContact CG-CD1 3.99Å; K68-F73 HydrophobicContact CG-CD2 4.39Å; K68-F73 HydrophobicContact CG-CG 3.82Å; K68-F73 WeakPolarHBondContact O-CB 3.45Å; K68-F73 PolarHBondContact O-N 3.27Å; Y71-F73 VanDerWaalsContact C-N 3.3Å; Y71-F73 PolarHBondContact O-N 3.35Å; F73-L75 VanDerWaalsContact C-N 3.32Å; F73-L75 PolarHBondContact O-N 2.93Å; F73-H76 PolarHBondContact O-N 2.85Å; F73-I77 HydrophobicContact CD1-CD1 4.45Å; F73-I77 HydrophobicContact CD2-CG2 3.59Å; F73-I77 HydrophobicContact CE1-CD1 3.96Å; F73-I77 HydrophobicContact CE1-CG2 4.28Å; F73-I77 HydrophobicContact CE2-CG2 3.1Å; F73-I77 HydrophobicContact CG-CG2 4.35Å; F73-I77 HydrophobicContact CZ-CD1 4.05Å; F73-I77 HydrophobicContact CZ-CG2 3.51Å; F73-I77 WeakPolarHBondContact O-CG1 3.46Å; F73-I77 PolarHBondContact O-N 3.3Å; F73-Y89 AromaticContact CE1-CD2 3.82Å; F73-Y89 HydrophobicContact CE1-CD2 3.82Å; F73-Y89 AromaticContact CE1-CE2 3.87Å; F73-Y89 HydrophobicContact CE1-CE2 3.87Å; F73-Y89 HydrophobicContact CZ-CD2 4.3Å; F73-Y89 HydrophobicContact CZ-CE2 4.39Å
74R93.9Very high95.3Very high125 Ų12557.8 Ų57.847%0.47226%0.263SS..Hα-helixtrans-58.6-40.6179.5-60176.2-176.6168.75.1113D4 S72 I77 W85D4-R74 WeakPolarHBondContact OD2-CD 3.27Å; D4-R74 IonicContact OD2-CZ 3.2Å; D4-R74 IonicContact OD2-NE 3.62Å; D4-R74 IonicContact OD2-NH1 2.81Å; D4-R74 PolarHBondContact OD2-NH1 3.07Å; S72-R74 PolarHBondContact O-N 3.48Å; R74-I77 WeakPolarHBondContact O-CG1 3.45Å; R74-W85 HydrophobicContact CB-CD2 3.83Å; R74-W85 HydrophobicContact CB-CE3 3.94Å; R74-W85 HydrophobicContact CB-CG 4.12Å; R74-W85 HydrophobicContact CB-CZ3 4.45Å; R74-W85 HydrophobicContact CG-CD2 3.96Å; R74-W85 HydrophobicContact CG-CE3 3.77Å; R74-W85 HydrophobicContact CG-CH2 3.93Å; R74-W85 HydrophobicContact CG-CZ2 4.09Å; R74-W85 HydrophobicContact CG-CZ3 3.77Å; R74-W85 WeakPolarHBondContact O-CB 3.38Å
75L93.5Very high95.1Very high67 Ų6759.1 Ų59.135%0.35127%0.267SS..Hα-helixtrans-74.4-43.9176.1-59.2-178.2000110.4D4 S72 F73 I77 G78 R79D4-L75 HydrophobicContact CB-CD2 4.03Å; D4-L75 WeakPolarHBondContact O-CD2 3.5Å; S72-L75 WeakPolarHBondContact O-CB 3.21Å; S72-L75 PolarHBondContact O-N 2.75Å; F73-L75 VanDerWaalsContact C-N 3.32Å; F73-L75 PolarHBondContact O-N 2.93Å; L75-I77 PolarHBondContact O-N 3.23Å; L75-G78 PolarHBondContact O-N 3.07Å; L75-G78 VanDerWaalsContact O-N 3.13Å; L75-R79 PolarHBondContact O-N 3.4Å
76H95.9Very high95Very high5 Ų560.2 Ų60.22%0.02327%0.268CS..Hα-helixtrans-57.5-51.6-176.8-168.2114.6000111.8N35 F39 S72 F73 G78 R79N35-H76 PolarHBondContact O-CD2 3.17Å; N35-H76 VanDerWaalsContact O-CD2 3.28Å; N35-H76 PolarHBondContact O-NE2 3.47Å; F39-H76 HydrophobicContact CD2-CB 3.95Å; F39-H76 AromaticContact CD2-CD2 3.78Å; F39-H76 AromaticContact CD2-CG 3.6Å; F39-H76 AromaticContact CD2-ND1 3.8Å; F39-H76 HydrophobicContact CE2-CB 4.38Å; F39-H76 PolarHBondContact N-NE2 2.81Å; S72-H76 PolarHBondContact O-N 3.16Å; S72-H76 VanDerWaalsContact O-N 3.1Å; F73-H76 PolarHBondContact O-N 2.85Å; H76-G78 PolarHBondContact O-N 3.35Å; H76-R79 PolarHBondContact CE1-NH1 3.06Å; H76-R79 PolarHBondContact ND1-NH1 3.27Å; H76-R79 WeakPolarHBondContact O-CB 3.42Å; H76-R79 WeakPolarHBondContact O-CD 3.3Å; H76-R79 VanDerWaalsContact O-CG 3.3Å; H76-R79 WeakPolarHBondContact O-CG 3.48Å; H76-R79 PolarHBondContact O-N 2.78Å
77I95.9Very high94.8Very high0 Ų058.8 Ų58.80%026%0.259CS..Hα-helixtrans-64.4-24.4-179.864.4-179000113.2N35 F73 R74 L75 I88 Y89N35-I77 PolarHBondContact ND2-O 2.7Å; F73-I77 HydrophobicContact CD1-CD1 4.45Å; F73-I77 HydrophobicContact CD2-CG2 3.59Å; F73-I77 HydrophobicContact CE1-CD1 3.96Å; F73-I77 HydrophobicContact CE1-CG2 4.28Å; F73-I77 HydrophobicContact CE2-CG2 3.1Å; F73-I77 HydrophobicContact CG-CG2 4.35Å; F73-I77 HydrophobicContact CZ-CD1 4.05Å; F73-I77 HydrophobicContact CZ-CG2 3.51Å; F73-I77 WeakPolarHBondContact O-CG1 3.46Å; F73-I77 PolarHBondContact O-N 3.3Å; R74-I77 WeakPolarHBondContact O-CG1 3.45Å; L75-I77 PolarHBondContact O-N 3.23Å; I77-I88 HydrophobicContact CG1-CG2 4.41Å; I77-I88 WeakPolarHBondContact O-CG2 3.37Å; I77-Y89 HydrophobicContact CD1-CD2 4.13Å; I77-Y89 HydrophobicContact CD1-CG 4.49Å
78G95.1Very high94.7Very high0 Ų057.1 Ų57.10%025%0.251CS..THydrogen-bonded Turntrans-90.6-3.2-178.200000115R8 L75 H76 N80 I81R8-G78 PolarHBondContact NE-O 3.41Å; R8-G78 PolarHBondContact NH2-O 3.47Å; L75-G78 PolarHBondContact O-N 3.07Å; L75-G78 VanDerWaalsContact O-N 3.13Å; H76-G78 PolarHBondContact O-N 3.35Å; G78-N80 PolarHBondContact O-N 2.81Å; G78-I81 PolarHBondContact O-N 3.44Å; G78-I81 VanDerWaalsContact O-N 3.1Å
79R94.3Very high94.6Very high125 Ų12557.9 Ų57.947%0.47225%0.253SS..THydrogen-bonded Turntrans-52132.5-179.7-73.7172.7177.7177.1-3.4111.1N35 L75 H76 I81N35-R79 PolarHBondContact ND2-O 3.47Å; L75-R79 PolarHBondContact O-N 3.4Å; H76-R79 PolarHBondContact CE1-NH1 3.06Å; H76-R79 PolarHBondContact ND1-NH1 3.27Å; H76-R79 WeakPolarHBondContact O-CB 3.42Å; H76-R79 WeakPolarHBondContact O-CD 3.3Å; H76-R79 VanDerWaalsContact O-CG 3.3Å; H76-R79 WeakPolarHBondContact O-CG 3.48Å; H76-R79 PolarHBondContact O-N 2.78Å; R79-I81 PolarHBondContact O-N 3.01Å; R79-I81 VanDerWaalsContact O-N 3.11Å
80N94.1Very high94.5Very high126 Ų12655.9 Ų55.967%0.67425%0.247SC*.THydrogen-bonded Turntrans55.923179.5-56-31.5000115.4Q31 G78Q31-N80 HydrophobicContact CG-CB 4.16Å; G78-N80 PolarHBondContact O-N 2.81Å
81I94.5Very high94.3Very high1 Ų150 Ų501%0.00522%0.224CC..  trans-121.5116.1172.7-58.8170.3000107.9R8 F12 F24 E28 Q31 L32 G78 R79 R83 I88R8-I81 PolarHBondContact NH2-O 3.05Å; F12-I81 WeakPolarHBondContact CE2-O 3.37Å; F24-I81 HydrophobicContact CE1-CG2 4.39Å; E28-I81 HydrophobicContact CG-CG2 4.44Å; Q31-I81 HydrophobicContact CB-CD1 4.38Å; Q31-I81 HydrophobicContact CB-CG1 4.19Å; Q31-I81 HydrophobicContact CG-CD1 4.24Å; Q31-I81 HydrophobicContact CG-CG1 3.84Å; L32-I81 HydrophobicContact CB-CD1 3.89Å; L32-I81 HydrophobicContact CD1-CD1 4.46Å; G78-I81 PolarHBondContact O-N 3.44Å; G78-I81 VanDerWaalsContact O-N 3.1Å; R79-I81 PolarHBondContact O-N 3.01Å; R79-I81 VanDerWaalsContact O-N 3.11Å; I81-R83 HydrophobicContact CG2-CB 4.07Å; I81-R83 HydrophobicContact CG2-CG 3.98Å; I81-R83 PolarHBondContact O-N 3.26Å; I81-I88 HydrophobicContact CB-CD1 3.7Å; I81-I88 HydrophobicContact CD1-CD1 4.42Å; I81-I88 HydrophobicContact CD1-CG2 4.17Å; I81-I88 HydrophobicContact CG2-CD1 3.52Å; I81-I88 HydrophobicContact CG2-CG1 3.93Å
82A93.8Very high94.3Very high10 Ų1046.4 Ų46.48%0.08321%0.21CC..  trans-77.350.2-178.200000112.5F12 V17 I19 K20F12-A82 HydrophobicContact CD1-CB 4.11Å; F12-A82 HydrophobicContact CD2-CB 3.97Å; F12-A82 HydrophobicContact CE1-CB 4.18Å; F12-A82 VanDerWaalsContact CE2-CA 3.49Å; F12-A82 HydrophobicContact CE2-CB 4.07Å; F12-A82 HydrophobicContact CG-CB 4.02Å; F12-A82 HydrophobicContact CZ-CB 4.17Å; V17-A82 HydrophobicContact CG1-CB 3.62Å; I19-A82 CarbonylContact C-O 3.17Å; I19-A82 WeakPolarHBondContact CA-O 3.42Å; I19-A82 HydrophobicContact CD1-CB 4.47Å; K20-A82 PolarHBondContact N-O 3.22Å
83R93.3Very high94.2Very high8 Ų845.8 Ų45.83%0.0320%0.2CC..SBendtrans-136.1154.8178.1-57-167.4-179.9-109.13.7111R8 K20 F21 G22 K23 F24 E28 I81 W85 I88R8-R83 PolarHBondContact NH2-O 2.97Å; K20-R83 HydrophobicContact CB-CG 4.31Å; K20-R83 WeakPolarHBondContact O-CG 3.13Å; K20-R83 PolarHBondContact O-NH1 2.88Å; F21-R83 VanDerWaalsContact CA-NH1 3.32Å; F21-R83 PolarHBondContact O-NH1 3.47Å; G22-R83 PolarHBondContact O-NH1 2.65Å; K23-R83 PolarHBondContact O-NH2 3.49Å; F24-R83 VanDerWaalsContact CZ-CD 3.47Å; E28-R83 VanDerWaalsContact CD-NE 3.34Å; E28-R83 IonicContact OE1-CZ 3.21Å; E28-R83 IonicContact OE1-NE 3.77Å; E28-R83 PolarHBondContact OE1-NE 3.04Å; E28-R83 IonicContact OE1-NH2 3.96Å; E28-R83 PolarHBondContact OE1-NH2 2.94Å; E28-R83 IonicContact OE2-CZ 2.91Å; E28-R83 IonicContact OE2-NE 3.9Å; E28-R83 PolarHBondContact OE2-NE 3.18Å; E28-R83 IonicContact OE2-NH2 3.82Å; E28-R83 PolarHBondContact OE2-NH2 2.75Å; I81-R83 HydrophobicContact CG2-CB 4.07Å; I81-R83 HydrophobicContact CG2-CG 3.98Å; I81-R83 PolarHBondContact O-N 3.26Å; R83-W85 PolarHBondContact O-N 2.98Å; R83-I88 HydrophobicContact CB-CD1 4.12Å; R83-I88 HydrophobicContact CB-CG1 3.93Å; R83-I88 VanDerWaalsContact O-CD1 3.31Å; R83-I88 WeakPolarHBondContact O-CD1 3.47Å
84P93.4Very high93.9Very high5 Ų550.2 Ų50.23%0.03222%0.219CC..  trans-56.5134.6170.8-24.431.6000112.4Y2 D5 F9 F21 K86 L87 I88Y2-P84 HydrophobicContact CD1-CB 4.08Å; Y2-P84 HydrophobicContact CD1-CG 4.3Å; Y2-P84 HydrophobicContact CE1-CB 3.79Å; Y2-P84 HydrophobicContact CE1-CG 3.74Å; D5-P84 VanDerWaalsContact OD2-CA 3.26Å; D5-P84 WeakPolarHBondContact OD2-CA 3.46Å; F9-P84 HydrophobicContact CZ-CB 4.3Å; F9-P84 HydrophobicContact CZ-CG 3.96Å; F21-P84 HydrophobicContact CE1-CG 3.8Å; F21-P84 HydrophobicContact CZ-CG 4.16Å; P84-K86 PolarHBondContact O-N 3.04Å; P84-L87 HydrophobicContact CB-CG 4.37Å; P84-L87 HydrophobicContact CG-CD1 4.24Å; P84-L87 WeakPolarHBondContact O-CB 3.32Å; P84-L87 PolarHBondContact O-N 2.7Å; P84-I88 PolarHBondContact O-N 3.24Å
85W93.7Very high93.8Very high32 Ų3245.5 Ų45.512%0.12120%0.202CC..Hα-helixtrans-55.9-31.7-175.977.4-97.5000112.7D5 R74 R83 L87 I88 Y89D5-W85 WeakPolarHBondContact OD1-CB 3.46Å; D5-W85 PolarHBondContact OD1-N 3.47Å; D5-W85 PolarHBondContact OD2-N 3.42Å; R74-W85 HydrophobicContact CB-CD2 3.83Å; R74-W85 HydrophobicContact CB-CE3 3.94Å; R74-W85 HydrophobicContact CB-CG 4.12Å; R74-W85 HydrophobicContact CB-CZ3 4.45Å; R74-W85 HydrophobicContact CG-CD2 3.96Å; R74-W85 HydrophobicContact CG-CE3 3.77Å; R74-W85 HydrophobicContact CG-CH2 3.93Å; R74-W85 HydrophobicContact CG-CZ2 4.09Å; R74-W85 HydrophobicContact CG-CZ3 3.77Å; R74-W85 WeakPolarHBondContact O-CB 3.38Å; R83-W85 PolarHBondContact O-N 2.98Å; W85-L87 PolarHBondContact O-N 3.35Å; W85-I88 WeakPolarHBondContact O-CB 3.32Å; W85-I88 PolarHBondContact O-N 3.41Å; W85-Y89 HydrophobicContact CZ3-CD1 4.43Å; W85-Y89 HydrophobicContact CZ3-CG 4.23Å; W85-Y89 VanDerWaalsContact O-CB 3.32Å; W85-Y89 WeakPolarHBondContact O-CB 3.29Å; W85-Y89 PolarHBondContact O-N 3.2Å
86K93.1Very high93.7Very high79 Ų7944.7 Ų44.734%0.34320%0.196SC..Hα-helixtrans-62-42.6177.1-68.9-175.2-179.5-178.60111.9P84 I88 Y89 Y90P84-K86 PolarHBondContact O-N 3.04Å; K86-I88 VanDerWaalsContact C-N 3.32Å; K86-Y89 PolarHBondContact O-N 3.27Å; K86-Y90 HydrophobicContact CB-CE2 4.41Å; K86-Y90 WeakPolarHBondContact O-CD2 3.16Å; K86-Y90 PolarHBondContact O-N 3.18Å
87L92.4Very high93.4Very high62 Ų6245 Ų4533%0.32520%0.198SC..Hα-helixtrans-66.6-40.1177.1-61.7-174.3000110.7F21 F24 P84 W85 Y90 R91F21-L87 HydrophobicContact CD1-CD1 3.8Å; F21-L87 HydrophobicContact CE1-CD1 4.26Å; F24-L87 HydrophobicContact CZ-CB 4.44Å; P84-L87 HydrophobicContact CB-CG 4.37Å; P84-L87 HydrophobicContact CG-CD1 4.24Å; P84-L87 WeakPolarHBondContact O-CB 3.32Å; P84-L87 PolarHBondContact O-N 2.7Å; W85-L87 PolarHBondContact O-N 3.35Å; L87-Y90 PolarHBondContact O-N 3.32Å; L87-R91 WeakPolarHBondContact O-CB 3.48Å; L87-R91 PolarHBondContact O-N 3.28Å
88I95.3Very high93Very high0 Ų048.9 Ų48.90%022%0.222CC..Hα-helixtrans-62.3-46.3175.7-57.7176.2000110.2F24 L32 I77 I81 R83 P84 W85 K86 Y90 R91 A92F24-I88 HydrophobicContact CE1-CG1 4.13Å; F24-I88 HydrophobicContact CZ-CB 4.46Å; F24-I88 HydrophobicContact CZ-CG1 4.07Å; L32-I88 HydrophobicContact CD1-CG2 3.49Å; L32-I88 VanDerWaalsContact CD1-CG2 3.49Å; L32-I88 HydrophobicContact CD2-CG2 4.19Å; L32-I88 HydrophobicContact CG-CG2 4.41Å; I77-I88 HydrophobicContact CG1-CG2 4.41Å; I77-I88 WeakPolarHBondContact O-CG2 3.37Å; I81-I88 HydrophobicContact CB-CD1 3.7Å; I81-I88 HydrophobicContact CD1-CD1 4.42Å; I81-I88 HydrophobicContact CD1-CG2 4.17Å; I81-I88 HydrophobicContact CG2-CD1 3.52Å; I81-I88 HydrophobicContact CG2-CG1 3.93Å; R83-I88 HydrophobicContact CB-CD1 4.12Å; R83-I88 HydrophobicContact CB-CG1 3.93Å; R83-I88 VanDerWaalsContact O-CD1 3.31Å; R83-I88 WeakPolarHBondContact O-CD1 3.47Å; P84-I88 PolarHBondContact O-N 3.24Å; W85-I88 WeakPolarHBondContact O-CB 3.32Å; W85-I88 PolarHBondContact O-N 3.41Å; K86-I88 VanDerWaalsContact C-N 3.32Å; I88-Y90 PolarHBondContact O-N 3.33Å; I88-R91 WeakPolarHBondContact O-CB 3.46Å; I88-R91 PolarHBondContact O-N 3.11Å; I88-A92 WeakPolarHBondContact O-CB 3.5Å; I88-A92 PolarHBondContact O-N 3Å
89Y94.9Very high92.6Very high46 Ų4650.1 Ų50.118%0.1823%0.228CC..Hα-helixtrans-60.2-46.2176.5178.3-111.5000111.8L52 F73 I77 W85 K86 R91 A92 K93L52-Y89 HydrophobicContact CD2-CD2 4.04Å; L52-Y89 HydrophobicContact CD2-CE2 3.74Å; L52-Y89 PolarHBondContact O-OH 2.95Å; F73-Y89 AromaticContact CE1-CD2 3.82Å; F73-Y89 HydrophobicContact CE1-CD2 3.82Å; F73-Y89 AromaticContact CE1-CE2 3.87Å; F73-Y89 HydrophobicContact CE1-CE2 3.87Å; F73-Y89 HydrophobicContact CZ-CD2 4.3Å; F73-Y89 HydrophobicContact CZ-CE2 4.39Å; I77-Y89 HydrophobicContact CD1-CD2 4.13Å; I77-Y89 HydrophobicContact CD1-CG 4.49Å; W85-Y89 HydrophobicContact CZ3-CD1 4.43Å; W85-Y89 HydrophobicContact CZ3-CG 4.23Å; W85-Y89 VanDerWaalsContact O-CB 3.32Å; W85-Y89 WeakPolarHBondContact O-CB 3.29Å; W85-Y89 PolarHBondContact O-N 3.2Å; K86-Y89 PolarHBondContact O-N 3.27Å; Y89-R91 VanDerWaalsContact C-N 3.31Å; Y89-R91 PolarHBondContact O-N 3.17Å; Y89-A92 WeakPolarHBondContact O-CB 3.4Å; Y89-A92 PolarHBondContact O-N 3.39Å; Y89-K93 HydrophobicContact CD1-CD 4.36Å; Y89-K93 HydrophobicContact CE1-CD 3.68Å; Y89-K93 HydrophobicContact CE1-CG 4.21Å; Y89-K93 HydrophobicContact CE2-CD 4.45Å; Y89-K93 HydrophobicContact CE2-CG 4.22Å; Y89-K93 WeakPolarHBondContact O-CG 3.35Å; Y89-K93 PolarHBondContact O-N 3.4Å
90Y92.8Very high92.1Very high143 Ų14346.1 Ų46.156%0.56122%0.216SC*.Hα-helixtrans-64.1-35.7175.6-66.6-45.6000112.8K86 L87 I88 K94K86-Y90 HydrophobicContact CB-CE2 4.41Å; K86-Y90 WeakPolarHBondContact O-CD2 3.16Å; K86-Y90 PolarHBondContact O-N 3.18Å; L87-Y90 PolarHBondContact O-N 3.32Å; I88-Y90 PolarHBondContact O-N 3.33Å; Y90-K94 WeakPolarHBondContact O-CG 3.36Å; Y90-K94 PolarHBondContact O-N 2.97Å
91R93.8Very high91.5Very high65 Ų6547.2 Ų47.225%0.24521%0.212CC..Hα-helixtrans-64.9-45.7173.2179.159.4176.2154.71111.1F24 N29 L32 L87 I88 Y89 K93 K94 M95F24-R91 HydrophobicContact CB-CG 4.34Å; F24-R91 HydrophobicContact CD1-CB 4.26Å; F24-R91 HydrophobicContact CD1-CG 3.76Å; F24-R91 HydrophobicContact CD2-CB 4.02Å; F24-R91 HydrophobicContact CD2-CG 3.86Å; F24-R91 HydrophobicContact CE1-CB 3.95Å; F24-R91 HydrophobicContact CE1-CG 3.95Å; F24-R91 HydrophobicContact CE2-CB 3.69Å; F24-R91 HydrophobicContact CE2-CG 4.05Å; F24-R91 HydrophobicContact CG-CB 4.3Å; F24-R91 HydrophobicContact CG-CG 3.72Å; F24-R91 HydrophobicContact CZ-CB 3.66Å; F24-R91 HydrophobicContact CZ-CG 4.1Å; N29-R91 VanDerWaalsContact CG-NH2 3.29Å; N29-R91 PolarHBondContact ND2-NH2 2.93Å; N29-R91 PolarHBondContact OD1-NE 3.32Å; N29-R91 PolarHBondContact OD1-NH2 2.95Å; L32-R91 HydrophobicContact CD2-CB 4.08Å; L32-R91 HydrophobicContact CD2-CG 3.77Å; L87-R91 WeakPolarHBondContact O-CB 3.48Å; L87-R91 PolarHBondContact O-N 3.28Å; I88-R91 WeakPolarHBondContact O-CB 3.46Å; I88-R91 PolarHBondContact O-N 3.11Å; Y89-R91 VanDerWaalsContact C-N 3.31Å; Y89-R91 PolarHBondContact O-N 3.17Å; R91-K93 PolarHBondContact O-N 2.95Å; R91-K94 PolarHBondContact O-N 2.78Å; R91-K94 VanDerWaalsContact O-N 3.14Å; R91-M95 HydrophobicContact CG-CG 4.34Å; R91-M95 HydrophobicContact CG-SD 3.81Å; R91-M95 WeakPolarHBondContact O-CG 3.48Å; R91-M95 PolarHBondContact O-N 2.86Å
92A95Very high91.1Very high0 Ų052.2 Ų52.20%023%0.234CC..Hα-helixtrans-57.8-50.1177.300000110.5L32 L52 I88 Y89 K94 M95 F96L32-A92 HydrophobicContact CD1-CB 4.12Å; L32-A92 HydrophobicContact CD2-CB 4.02Å; L32-A92 HydrophobicContact CG-CB 4.34Å; L52-A92 HydrophobicContact CD1-CB 4.04Å; L52-A92 HydrophobicContact CD2-CB 3.97Å; I88-A92 WeakPolarHBondContact O-CB 3.5Å; I88-A92 PolarHBondContact O-N 3Å; Y89-A92 WeakPolarHBondContact O-CB 3.4Å; Y89-A92 PolarHBondContact O-N 3.39Å; A92-K94 VanDerWaalsContact C-N 3.29Å; A92-K94 PolarHBondContact O-N 3.48Å; A92-M95 PolarHBondContact O-N 3.32Å; A92-F96 HydrophobicContact CB-CD2 4.48Å; A92-F96 VanDerWaalsContact O-CD2 3.32Å; A92-F96 WeakPolarHBondContact O-CD2 3.35Å; A92-F96 PolarHBondContact O-N 2.96Å
93K92.9Very high90.7Very high53 Ų5354.7 Ų54.723%0.2326%0.26CS..Hα-helixtrans-50-50.3174.4-71.3-165.576.5160.20111.1L52 Y53 Y89 R91 M95 D97L52-K93 HydrophobicContact CB-CG 4.34Å; L52-K93 HydrophobicContact CD2-CG 4.48Å; Y53-K93 VanDerWaalsContact CE1-CE 3.44Å; Y53-K93 HydrophobicContact CE2-CB 4.38Å; Y53-K93 WeakPolarHBondContact CE2-O 3.46Å; Y53-K93 PolarHBondContact OH-O 3.4Å; Y89-K93 HydrophobicContact CD1-CD 4.36Å; Y89-K93 HydrophobicContact CE1-CD 3.68Å; Y89-K93 HydrophobicContact CE1-CG 4.21Å; Y89-K93 HydrophobicContact CE2-CD 4.45Å; Y89-K93 HydrophobicContact CE2-CG 4.22Å; Y89-K93 WeakPolarHBondContact O-CG 3.35Å; Y89-K93 PolarHBondContact O-N 3.4Å; R91-K93 PolarHBondContact O-N 2.95Å; K93-M95 PolarHBondContact O-N 3.22Å; K93-D97 VanDerWaalsContact O-CB 3.31Å; K93-D97 WeakPolarHBondContact O-CB 3.42Å; K93-D97 PolarHBondContact O-N 2.92Å
94K89.9Confident90.5Very high103 Ų10365.6 Ų65.645%0.44830%0.301SS..Hα-helixtrans-64.6-37.5178.6-70.9-178.6178.9-176.10113.8Y90 R91 A92 N100Y90-K94 WeakPolarHBondContact O-CG 3.36Å; Y90-K94 PolarHBondContact O-N 2.97Å; R91-K94 PolarHBondContact O-N 2.78Å; R91-K94 VanDerWaalsContact O-N 3.14Å; A92-K94 VanDerWaalsContact C-N 3.29Å; A92-K94 PolarHBondContact O-N 3.48Å; K94-N100 PolarHBondContact O-ND2 2.97Å
95M91.3Very high90.3Very high26 Ų2667.1 Ų67.113%0.12831%0.306CS..Hα-helixtrans-69.2-40.4-178.2-75.8176.661.700112.1N29 L32 E33 R91 A92 K93N29-M95 HydrophobicContact CB-CE 3.83Å; N29-M95 HydrophobicContact CB-SD 4.11Å; N29-M95 PolarHBondContact OD1-SD 3.36Å; L32-M95 HydrophobicContact CD2-SD 3.89Å; E33-M95 HydrophobicContact CG-CE 3.6Å; E33-M95 WeakPolarHBondContact OE1-CE 3.04Å; R91-M95 HydrophobicContact CG-CG 4.34Å; R91-M95 HydrophobicContact CG-SD 3.81Å; R91-M95 WeakPolarHBondContact O-CG 3.48Å; R91-M95 PolarHBondContact O-N 2.86Å; A92-M95 PolarHBondContact O-N 3.32Å; K93-M95 PolarHBondContact O-N 3.22Å
96F91.6Very high90.1Very high50 Ų5068.3 Ų68.322%0.21932%0.32CS..Hα-helixtrans-102.56.2-173.3-66.7-75.9000114.1E33 V36 A48 L52 A92 V98E33-F96 HydrophobicContact CG-CZ 4.03Å; V36-F96 HydrophobicContact CB-CE2 3.94Å; V36-F96 HydrophobicContact CB-CZ 3.94Å; V36-F96 HydrophobicContact CG1-CD2 4.47Å; V36-F96 HydrophobicContact CG1-CE1 4.32Å; V36-F96 HydrophobicContact CG1-CE2 4Å; V36-F96 HydrophobicContact CG1-CZ 3.9Å; V36-F96 HydrophobicContact CG2-CD2 4.35Å; V36-F96 HydrophobicContact CG2-CE2 3.7Å; V36-F96 HydrophobicContact CG2-CZ 4.23Å; A48-F96 HydrophobicContact CB-CB 3.84Å; A48-F96 HydrophobicContact CB-CD1 3.41Å; A48-F96 VanDerWaalsContact CB-CD1 3.41Å; A48-F96 HydrophobicContact CB-CD2 4.43Å; A48-F96 HydrophobicContact CB-CE1 4.02Å; A48-F96 HydrophobicContact CB-CG 3.64Å; L52-F96 HydrophobicContact CD1-CB 3.55Å; L52-F96 HydrophobicContact CD1-CD2 3.65Å; L52-F96 HydrophobicContact CD1-CG 3.9Å; A92-F96 HydrophobicContact CB-CD2 4.48Å; A92-F96 VanDerWaalsContact O-CD2 3.32Å; A92-F96 WeakPolarHBondContact O-CD2 3.35Å; A92-F96 PolarHBondContact O-N 2.96Å; F96-V98 PolarHBondContact O-N 2.74Å
97D89.3Confident89.9Confident12 Ų1272.5 Ų72.56%0.06434%0.34CS..  trans-70.7114.2175.2-163.7-15.3000110.5Y53 R56 K93 N99 N100Y53-D97 HydrophobicContact CE2-CB 3.72Å; Y53-D97 VanDerWaalsContact CZ-CG 3.47Å; Y53-D97 VanDerWaalsContact OH-CB 3.24Å; Y53-D97 WeakPolarHBondContact OH-CB 3.48Å; Y53-D97 PolarHBondContact OH-OD2 3.49Å; R56-D97 IonicContact CZ-OD1 2.9Å; R56-D97 IonicContact NH1-OD1 3.48Å; R56-D97 IonicContact NH2-OD1 3.13Å; R56-D97 PolarHBondContact NH2-OD1 3.42Å; R56-D97 IonicContact NH2-OD2 2.94Å; K93-D97 VanDerWaalsContact O-CB 3.31Å; K93-D97 WeakPolarHBondContact O-CB 3.42Å; K93-D97 PolarHBondContact O-N 2.92Å; D97-N99 PolarHBondContact O-N 2.91Å; D97-N99 VanDerWaalsContact O-N 3.07Å; D97-N99 WeakPolarHBondContact OD1-CB 3.31Å; D97-N99 PolarHBondContact OD1-N 2.9Å; D97-N100 HydrophobicContact CB-CB 3.85Å; D97-N100 WeakPolarHBondContact O-CB 3.4Å; D97-N100 PolarHBondContact O-N 3.4Å
98V87.7Confident89.6Confident81 Ų8171 Ų7149%0.49134%0.34SS..THydrogen-bonded Turntrans-59-21.1175.5-60.80000113.2D49 F96 K102D49-V98 HydrophobicContact CB-CG1 4.15Å; F96-V98 PolarHBondContact O-N 2.74Å; V98-K102 WeakPolarHBondContact O-CE 3.45Å; V98-K102 PolarHBondContact O-NZ 3.25Å
99N86.8Confident89.3Confident26 Ų2672.9 Ų72.914%0.13935%0.35CS..THydrogen-bonded Turntrans-92.81.3177.8-66.9-27.5000113.1D97 R133 S134D97-N99 PolarHBondContact O-N 2.91Å; D97-N99 VanDerWaalsContact O-N 3.07Å; D97-N99 WeakPolarHBondContact OD1-CB 3.31Å; D97-N99 PolarHBondContact OD1-N 2.9Å; N99-R133 CarbonylContact O-C 3.51Å; N99-R133 VanDerWaalsContact O-CA 3.3Å; N99-R133 WeakPolarHBondContact O-CA 3.49Å; N99-S134 PolarHBondContact O-N 3.41Å
100N84.8Confident89.1Confident41 Ų4171.9 Ų71.922%0.21935%0.349CS..SBendtrans-89.8169.3172.4-163.316.1000111K94 D97 K102K94-N100 PolarHBondContact O-ND2 2.97Å; D97-N100 HydrophobicContact CB-CB 3.85Å; D97-N100 WeakPolarHBondContact O-CB 3.4Å; D97-N100 PolarHBondContact O-N 3.4Å; N100-K102 VanDerWaalsContact C-N 3.26Å; N100-K102 PolarHBondContact O-N 3.13Å; N100-K102 VanDerWaalsContact O-N 3.17Å
101Y81.1Confident89Confident149 Ų14971.4 Ų71.458%0.58435%0.352SS*.  trans60.922.5177.4-46.6-72.5000116.2G103Y101-G103 PolarHBondContact O-N 2.79Å
102K86Confident88.9Confident106 Ų10673.7 Ų73.746%0.46136%0.363SS..  trans-7415.9177.7-56.8-63.3-177-172.70115.5V98 N100 A132 R133V98-K102 WeakPolarHBondContact O-CE 3.45Å; V98-K102 PolarHBondContact O-NZ 3.25Å; N100-K102 VanDerWaalsContact C-N 3.26Å; N100-K102 PolarHBondContact O-N 3.13Å; N100-K102 VanDerWaalsContact O-N 3.17Å; K102-A132 WeakPolarHBondContact CE-O 3.42Å; K102-R133 HydrophobicContact CB-CG 4.08Å; K102-R133 HydrophobicContact CG-CG 4.12Å; K102-R133 PolarHBondContact O-NH2 3.49Å
103G86.1Confident88.8Confident61 Ų6173.7 Ų73.763%0.62936%0.363SS*.  trans64.8-157.6179.400000114.7Y101 R133Y101-G103 PolarHBondContact O-N 2.79Å; G103-R133 PolarHBondContact O-NH1 2.83Å
104R88.5Confident88.7Confident237 Ų23776.3 Ų76.389%0.89438%0.375SS*.SBendtrans-71148.9-177.2-64.5-177.1-179.7-1721.1111R133R104-R133 PolarHBondContact O-NH2 3.36Å
105Y90Very high88.9Confident37 Ų3775.6 Ų75.615%0.14537%0.374CS..PPolyproline II helixtrans-71.5128.3170.8-80.6-104.9000109.5D109 L113 R133 S137 V138 K141Y105-D109 HydrophobicContact CD1-CB 3.66Å; Y105-D109 HydrophobicContact CE1-CB 4.48Å; Y105-D109 HydrophobicContact CG-CB 4.38Å; Y105-L113 HydrophobicContact CE1-CD2 4.19Å; Y105-R133 VanDerWaalsContact CE1-CD 3.45Å; Y105-R133 VanDerWaalsContact OH-CD 3.28Å; Y105-R133 WeakPolarHBondContact OH-CD 3.48Å; Y105-S137 WeakPolarHBondContact CE2-OG 3.46Å; Y105-S137 VanDerWaalsContact OH-C 3.26Å; Y105-S137 PolarHBondContact OH-O 2.73Å; Y105-S137 PolarHBondContact OH-OG 3.5Å; Y105-V138 WeakPolarHBondContact OH-CA 3.03Å; Y105-V138 PolarHBondContact OH-N 3.32Å; Y105-K141 HydrophobicContact CD1-CB 4.45Å; Y105-K141 HydrophobicContact CD1-CD 4.25Å; Y105-K141 HydrophobicContact CD1-CG 3.71Å; Y105-K141 HydrophobicContact CD2-CB 4.11Å; Y105-K141 HydrophobicContact CD2-CD 3.79Å; Y105-K141 HydrophobicContact CD2-CG 3.8Å; Y105-K141 HydrophobicContact CE1-CB 4.06Å; Y105-K141 HydrophobicContact CE1-CG 3.76Å; Y105-K141 HydrophobicContact CE2-CB 3.67Å; Y105-K141 HydrophobicContact CE2-CD 4.25Å; Y105-K141 HydrophobicContact CE2-CG 3.84Å; Y105-K141 HydrophobicContact CG-CB 4.49Å; Y105-K141 HydrophobicContact CG-CD 3.79Å; Y105-K141 HydrophobicContact CG-CG 3.74Å
106S89.3Confident89.1Confident58 Ų5877 Ų7741%0.40638%0.379SS..PPolyproline II helixtrans-70.8169.1166.571.80000110.8G108 D109 T110S106-G108 VanDerWaalsContact C-N 3.35Å; S106-D109 PolarHBondContact N-OD2 3.14Å; S106-D109 PolarHBondContact O-N 3.13Å; S106-D109 PolarHBondContact OG-N 3.17Å; S106-D109 PolarHBondContact OG-OD1 2.9Å; S106-D109 VanDerWaalsContact OG-OD1 3.12Å; S106-D109 PolarHBondContact OG-OD2 3.49Å; S106-T110 PolarHBondContact O-N 2.78Å; S106-T110 VanDerWaalsContact O-N 3.12Å; S106-T110 PolarHBondContact O-OG1 3.16Å
107E87.5Confident89.2Confident166 Ų16676.5 Ų76.578%0.77638%0.377SS*.Hα-helixtrans-62.7-44.4171.7-66.9-173.9161.600110.7D109 T110 E111E107-D109 VanDerWaalsContact C-N 3.34Å; E107-D109 PolarHBondContact O-N 3.04Å; E107-T110 CarbonylContact O-C 3.57Å; E107-T110 WeakPolarHBondContact O-CA 3.33Å; E107-T110 VanDerWaalsContact O-CB 3.25Å; E107-T110 WeakPolarHBondContact O-CB 3.44Å; E107-T110 PolarHBondContact O-N 3.19Å; E107-E111 PolarHBondContact O-N 3.46Å
108G88.1Confident89.3Confident32 Ų3280.3 Ų80.333%0.3340%0.404SS..Hα-helixtrans-60.4-38.1174.100000113.8S106 T110 E111 K112S106-G108 VanDerWaalsContact C-N 3.35Å; G108-T110 PolarHBondContact O-N 2.93Å; G108-E111 PolarHBondContact O-N 3.04Å; G108-K112 WeakPolarHBondContact O-CB 3.42Å; G108-K112 WeakPolarHBondContact O-CG 3.18Å; G108-K112 PolarHBondContact O-N 3.02Å
109D88.3Confident89.6Confident39 Ų3982.4 Ų82.421%0.20941%0.412CS..Hα-helixtrans-62.3-36.8173.4-63.9-16.3000111.1Y105 S106 E107 L113 R133Y105-D109 HydrophobicContact CD1-CB 3.66Å; Y105-D109 HydrophobicContact CE1-CB 4.48Å; Y105-D109 HydrophobicContact CG-CB 4.38Å; S106-D109 PolarHBondContact N-OD2 3.14Å; S106-D109 PolarHBondContact O-N 3.13Å; S106-D109 PolarHBondContact OG-N 3.17Å; S106-D109 PolarHBondContact OG-OD1 2.9Å; S106-D109 VanDerWaalsContact OG-OD1 3.12Å; S106-D109 PolarHBondContact OG-OD2 3.49Å; E107-D109 VanDerWaalsContact C-N 3.34Å; E107-D109 PolarHBondContact O-N 3.04Å; D109-L113 WeakPolarHBondContact O-CB 3.42Å; D109-L113 PolarHBondContact O-N 2.72Å; D109-R133 IonicContact OD2-CZ 3.43Å; D109-R133 IonicContact OD2-NE 3.35Å; D109-R133 IonicContact OD2-NH2 3.55Å; D109-R133 PolarHBondContact OD2-NH2 3.06Å
110T90Very high89.9Confident24 Ų2484.9 Ų84.915%0.14743%0.425CS..Hα-helixtrans-71.5-39.1-178.6-57.80000110.9S106 E107 G108 K114 K141 I145S106-T110 PolarHBondContact O-N 2.78Å; S106-T110 VanDerWaalsContact O-N 3.12Å; S106-T110 PolarHBondContact O-OG1 3.16Å; E107-T110 CarbonylContact O-C 3.57Å; E107-T110 WeakPolarHBondContact O-CA 3.33Å; E107-T110 VanDerWaalsContact O-CB 3.25Å; E107-T110 WeakPolarHBondContact O-CB 3.44Å; E107-T110 PolarHBondContact O-N 3.19Å; G108-T110 PolarHBondContact O-N 2.93Å; T110-K114 WeakPolarHBondContact O-CG 3.39Å; T110-K114 PolarHBondContact O-N 2.99Å; T110-K114 VanDerWaalsContact O-N 3.1Å; T110-K141 WeakPolarHBondContact OG1-CE 3.48Å; T110-I145 HydrophobicContact CG2-CB 4.4Å; T110-I145 HydrophobicContact CG2-CD1 3.47Å; T110-I145 VanDerWaalsContact CG2-CD1 3.47Å; T110-I145 HydrophobicContact CG2-CG1 4.49Å; T110-I145 HydrophobicContact CG2-CG2 4.11Å
111E90.8Very high90.3Very high134 Ų13484.3 Ų84.363%0.62643%0.429SS*.Hα-helixtrans-66.7-48.9174.5-71.3173-179.500111.7E107 G108 L113 K114 M115E107-E111 PolarHBondContact O-N 3.46Å; G108-E111 PolarHBondContact O-N 3.04Å; E111-L113 VanDerWaalsContact C-N 3.27Å; E111-L113 PolarHBondContact O-N 2.93Å; E111-K114 PolarHBondContact O-N 3.36Å; E111-K114 VanDerWaalsContact O-N 3.12Å; E111-M115 WeakPolarHBondContact O-CB 3.46Å; E111-M115 PolarHBondContact O-N 3.04Å
112K91.6Very high90.8Very high112 Ų11282.6 Ų82.649%0.48743%0.43SS..Hα-helixtrans-56.4-43.3174.4-73.3177-176.1179.10111.5G108 K114 M115 Y116 V131G108-K112 WeakPolarHBondContact O-CB 3.42Å; G108-K112 WeakPolarHBondContact O-CG 3.18Å; G108-K112 PolarHBondContact O-N 3.02Å; K112-K114 PolarHBondContact O-N 3.21Å; K112-M115 PolarHBondContact O-N 3.33Å; K112-Y116 HydrophobicContact CB-CD2 4.27Å; K112-Y116 HydrophobicContact CB-CE2 4.06Å; K112-Y116 WeakPolarHBondContact O-CB 3.48Å; K112-Y116 WeakPolarHBondContact O-CD2 3.49Å; K112-Y116 PolarHBondContact O-N 3.46Å; K112-V131 HydrophobicContact CB-CG1 4.4Å
113L93.3Very high91.2Very high0 Ų080.7 Ų80.70%042%0.424CS..Hα-helixtrans-59.1-45.9176.6174.354.2000112.1Y105 D109 E111 H117 I127 V138 K141 F142 I145Y105-L113 HydrophobicContact CE1-CD2 4.19Å; D109-L113 WeakPolarHBondContact O-CB 3.42Å; D109-L113 PolarHBondContact O-N 2.72Å; E111-L113 VanDerWaalsContact C-N 3.27Å; E111-L113 PolarHBondContact O-N 2.93Å; L113-H117 VanDerWaalsContact O-CB 3.3Å; L113-H117 WeakPolarHBondContact O-CB 3.27Å; L113-H117 PolarHBondContact O-N 2.98Å; L113-I127 HydrophobicContact CD1-CG2 3.72Å; L113-V138 HydrophobicContact CD1-CG1 3.43Å; L113-V138 VanDerWaalsContact CD1-CG1 3.43Å; L113-K141 HydrophobicContact CD2-CB 3.91Å; L113-K141 HydrophobicContact CD2-CG 3.58Å; L113-F142 HydrophobicContact CD1-CB 4.5Å; L113-F142 HydrophobicContact CD1-CD2 4.41Å; L113-F142 HydrophobicContact CD2-CB 4.25Å; L113-F142 HydrophobicContact CG-CD2 4.15Å; L113-I145 HydrophobicContact CD2-CD1 3.82Å; L113-I145 HydrophobicContact CG-CD1 4.23Å
114K92Very high91.5Very high108 Ų10880.6 Ų80.647%0.4741%0.405SS..Hα-helixtrans-64-43.3176.6-73.4177.9176.5-175.80111.9T110 E111 K112 H117 S118 I145T110-K114 WeakPolarHBondContact O-CG 3.39Å; T110-K114 PolarHBondContact O-N 2.99Å; T110-K114 VanDerWaalsContact O-N 3.1Å; E111-K114 PolarHBondContact O-N 3.36Å; E111-K114 VanDerWaalsContact O-N 3.12Å; K112-K114 PolarHBondContact O-N 3.21Å; K114-H117 PolarHBondContact O-N 2.85Å; K114-S118 PolarHBondContact O-N 2.77Å; K114-I145 HydrophobicContact CG-CD1 4.09Å
115M93.5Very high91.6Very high88 Ų8874.3 Ų74.343%0.43339%0.385SS..Hα-helixtrans-59.9-54176.9-179-168.369.400111.1E111 K112 H117 S118 L119E111-M115 WeakPolarHBondContact O-CB 3.46Å; E111-M115 PolarHBondContact O-N 3.04Å; K112-M115 PolarHBondContact O-N 3.33Å; M115-H117 VanDerWaalsContact C-N 3.31Å; M115-H117 PolarHBondContact O-N 3.04Å; M115-S118 PolarHBondContact O-N 2.92Å; M115-S118 VanDerWaalsContact O-N 3.09Å; M115-S118 PolarHBondContact O-OG 3.33Å; M115-L119 HydrophobicContact CG-CD1 4.49Å; M115-L119 PolarHBondContact O-N 3.03Å
116Y94.3Very high91.7Very high56 Ų5675 Ų7522%0.2239%0.392CS..Hα-helixtrans-63.4-35.1179.7-68.1-49.7000113.3K112 L119 L120 M130 V131K112-Y116 HydrophobicContact CB-CD2 4.27Å; K112-Y116 HydrophobicContact CB-CE2 4.06Å; K112-Y116 WeakPolarHBondContact O-CB 3.48Å; K112-Y116 WeakPolarHBondContact O-CD2 3.49Å; K112-Y116 PolarHBondContact O-N 3.46Å; Y116-L119 PolarHBondContact O-N 2.8Å; Y116-L120 PolarHBondContact O-N 2.92Å; Y116-M130 HydrophobicContact CD1-CE 3.34Å; Y116-M130 HydrophobicContact CD1-SD 3.67Å; Y116-M130 HydrophobicContact CD2-CB 4.23Å; Y116-M130 HydrophobicContact CD2-CE 4.05Å; Y116-M130 HydrophobicContact CE1-CB 4.49Å; Y116-M130 HydrophobicContact CE1-CE 3.9Å; Y116-M130 HydrophobicContact CE1-SD 3.57Å; Y116-M130 VanDerWaalsContact CE1-SD 3.57Å; Y116-M130 HydrophobicContact CE2-CB 3.9Å; Y116-M130 HydrophobicContact CG-CE 3.44Å; Y116-M130 VanDerWaalsContact CG-CE 3.44Å; Y116-M130 HydrophobicContact CG-SD 4.24Å; Y116-V131 HydrophobicContact CD2-CG1 3.7Å; Y116-V131 HydrophobicContact CE2-CG1 3.82Å
117H93.9Very high91.8Very high39 Ų3972.2 Ų72.218%0.18137%0.373CS..Hα-helixtrans-63.2-40.7172.6-179.6-91.5000112.2L113 K114 M115 L119 G121 N122 W124 I127 F142L113-H117 VanDerWaalsContact O-CB 3.3Å; L113-H117 WeakPolarHBondContact O-CB 3.27Å; L113-H117 PolarHBondContact O-N 2.98Å; K114-H117 PolarHBondContact O-N 2.85Å; M115-H117 VanDerWaalsContact C-N 3.31Å; M115-H117 PolarHBondContact O-N 3.04Å; H117-L119 PolarHBondContact O-N 2.71Å; H117-G121 PolarHBondContact CD2-O 2.9Å; H117-G121 WeakPolarHBondContact O-CA 3.5Å; H117-G121 PolarHBondContact O-N 2.95Å; H117-N122 PolarHBondContact NE2-OD1 3.06Å; H117-W124 AromaticContact CD2-CH2 3.32Å; H117-W124 WeakPolarHBondContact CD2-CH2 3.42Å; H117-W124 AromaticContact CD2-CZ3 3.6Å; H117-W124 AromaticContact NE2-CH2 3.74Å; H117-I127 HydrophobicContact CB-CD1 4.38Å; H117-F142 HydrophobicContact CB-CD2 4.03Å; H117-F142 HydrophobicContact CB-CE2 3.58Å; H117-F142 HydrophobicContact CB-CZ 4.08Å; H117-F142 AromaticContact CD2-CE1 3.81Å; H117-F142 AromaticContact CD2-CE2 3.99Å; H117-F142 AromaticContact CD2-CZ 3.74Å; H117-F142 AromaticContact CE1-CE1 3.55Å; H117-F142 AromaticContact CE1-CZ 3.34Å; H117-F142 WeakPolarHBondContact CE1-CZ 3.43Å; H117-F142 AromaticContact CG-CD2 3.99Å; H117-F142 AromaticContact CG-CE1 3.9Å; H117-F142 AromaticContact CG-CE2 3.38Å; H117-F142 AromaticContact CG-CZ 3.34Å; H117-F142 AromaticContact ND1-CE1 3.75Å; H117-F142 AromaticContact ND1-CE2 3.52Å; H117-F142 AromaticContact ND1-CZ 3.06Å; H117-F142 WeakPolarHBondContact ND1-CZ 3.26Å; H117-F142 AromaticContact NE2-CE1 3.57Å; H117-F142 AromaticContact NE2-CZ 3.72Å
118S92.9Very high92Very high92 Ų9264.4 Ų64.464%0.64334%0.337SS*.Hα-helixtrans-62.5-28.3176.172.10000113.6K114 M115K114-S118 PolarHBondContact O-N 2.77Å; M115-S118 PolarHBondContact O-N 2.92Å; M115-S118 VanDerWaalsContact O-N 3.09Å; M115-S118 PolarHBondContact O-OG 3.33Å
119L93.6Very high92Very high126 Ų12667.2 Ų67.266%0.6634%0.342SS*.Hα-helixtrans-86.9-40.9179.9-66.1171.1000113.3M115 Y116 H117M115-L119 HydrophobicContact CG-CD1 4.49Å; M115-L119 PolarHBondContact O-N 3.03Å; Y116-L119 PolarHBondContact O-N 2.8Å; H117-L119 PolarHBondContact O-N 2.71Å
120L93.3Very high92Very high77 Ų7769 Ų6940%0.40335%0.35SS..Hα-helixtrans-111.4-6.4-170-58.7-179.2000114Y116 D123 T126 I127 M130Y116-L120 PolarHBondContact O-N 2.92Å; L120-D123 HydrophobicContact CB-CB 4.35Å; L120-T126 HydrophobicContact CD1-CG2 3.71Å; L120-I127 HydrophobicContact CB-CG1 4.41Å; L120-I127 HydrophobicContact CD1-CG1 4.07Å; L120-M130 HydrophobicContact CD1-CE 3.24Å; L120-M130 HydrophobicContact CD1-SD 4.36Å; L120-M130 HydrophobicContact CG-CE 4.41Å
121G91.6Very high92Very high29 Ų2968.8 Ų68.830%0.29935%0.348SS..THydrogen-bonded Turntrans63.1-138.6-171.200000112.3H117 D123 I127H117-G121 PolarHBondContact CD2-O 2.9Å; H117-G121 WeakPolarHBondContact O-CA 3.5Å; H117-G121 PolarHBondContact O-N 2.95Å; G121-D123 PolarHBondContact O-N 2.82Å; G121-D123 VanDerWaalsContact O-N 3.14Å; G121-I127 WeakPolarHBondContact O-CD1 3.28Å
122N93.4Very high91.9Very high113 Ų11364.8 Ų64.860%0.60434%0.338SS*.THydrogen-bonded Turntrans-83.625.7-174.2-64.4-22.1000113.9H117 W124H117-N122 PolarHBondContact NE2-OD1 3.06Å; N122-W124 HydrophobicContact CB-CZ2 3.89Å; N122-W124 VanDerWaalsContact O-CD1 3.29Å; N122-W124 PolarHBondContact O-N 3.48Å; N122-W124 PolarHBondContact O-NE1 3.44Å; N122-W124 VanDerWaalsContact OD1-CZ2 3.32Å; N122-W124 WeakPolarHBondContact OD1-CZ2 3.38Å
123D93.2Very high91.9Very high66 Ų6660.2 Ų60.235%0.35332%0.318SS..  trans-77.172.2173.9-171.1-3.9000111.5L120 G121 K125 T126 I127L120-D123 HydrophobicContact CB-CB 4.35Å; G121-D123 PolarHBondContact O-N 2.82Å; G121-D123 VanDerWaalsContact O-N 3.14Å; D123-K125 PolarHBondContact O-N 3.23Å; D123-K125 VanDerWaalsContact O-N 3.16Å; D123-K125 PolarHBondContact OD1-N 2.92Å; D123-T126 PolarHBondContact O-N 3.14Å; D123-T126 PolarHBondContact OD1-N 3.07Å; D123-T126 PolarHBondContact OD1-OG1 3.08Å; D123-T126 VanDerWaalsContact OD2-CB 3.26Å; D123-T126 WeakPolarHBondContact OD2-CB 3.49Å; D123-T126 PolarHBondContact OD2-OG1 2.68Å; D123-I127 WeakPolarHBondContact O-CB 3.33Å; D123-I127 WeakPolarHBondContact O-CG1 3.39Å; D123-I127 PolarHBondContact O-N 3.01Å
124W93.8Very high91.7Very high60 Ų6060.9 Ų60.923%0.22732%0.322CS..Hα-helixtrans-63.1-21.7-177.4-50.3122.6000113.8H117 N122 I127 G128 S135 V138 A139 F142H117-W124 AromaticContact CD2-CH2 3.32Å; H117-W124 WeakPolarHBondContact CD2-CH2 3.42Å; H117-W124 AromaticContact CD2-CZ3 3.6Å; H117-W124 AromaticContact NE2-CH2 3.74Å; N122-W124 HydrophobicContact CB-CZ2 3.89Å; N122-W124 VanDerWaalsContact O-CD1 3.29Å; N122-W124 PolarHBondContact O-N 3.48Å; N122-W124 PolarHBondContact O-NE1 3.44Å; N122-W124 VanDerWaalsContact OD1-CZ2 3.32Å; N122-W124 WeakPolarHBondContact OD1-CZ2 3.38Å; W124-I127 HydrophobicContact CE3-CD1 4.01Å; W124-I127 HydrophobicContact CZ3-CD1 4.14Å; W124-G128 PolarHBondContact O-N 3.33Å; W124-S135 WeakPolarHBondContact O-CA 3.34Å; W124-S135 WeakPolarHBondContact O-CB 2.98Å; W124-V138 HydrophobicContact CE3-CG1 3.71Å; W124-V138 HydrophobicContact CZ3-CG1 4.31Å; W124-A139 HydrophobicContact CB-CB 4.33Å; W124-A139 HydrophobicContact CD2-CB 3.75Å; W124-A139 HydrophobicContact CE3-CB 4.41Å; W124-A139 HydrophobicContact CG-CB 3.68Å; W124-F142 HydrophobicContact CH2-CB 3.77Å; W124-F142 AromaticContact CH2-CD1 3.46Å; W124-F142 HydrophobicContact CH2-CD1 3.46Å; W124-F142 VanDerWaalsContact CH2-CD1 3.46Å; W124-F142 HydrophobicContact CH2-CD2 4.49Å; W124-F142 HydrophobicContact CH2-CE1 4.18Å; W124-F142 AromaticContact CH2-CG 3.64Å; W124-F142 HydrophobicContact CH2-CG 3.64Å; W124-F142 HydrophobicContact CZ2-CD1 4.35Å; W124-F142 HydrophobicContact CZ3-CB 3.79Å; W124-F142 HydrophobicContact CZ3-CD1 4.2Å; W124-F142 HydrophobicContact CZ3-CD2 4.49Å; W124-F142 AromaticContact CZ3-CG 3.9Å; W124-F142 HydrophobicContact CZ3-CG 3.9Å
125K90.4Very high91.7Very high105 Ų10558.6 Ų58.646%0.45732%0.32SS..Hα-helixtrans-70.3-56.2178.1-174.2-172.6172.5-167.50109.2D123 G128 E129D123-K125 PolarHBondContact O-N 3.23Å; D123-K125 VanDerWaalsContact O-N 3.16Å; D123-K125 PolarHBondContact OD1-N 2.92Å; K125-G128 PolarHBondContact O-N 3.01Å; K125-E129 WeakPolarHBondContact CE-OE1 3.43Å; K125-E129 PolarHBondContact O-N 3.46Å
126T90.9Very high91.4Very high51 Ų5158.3 Ų58.331%0.31332%0.32SS..Hα-helixtrans-63.9-43.5179.5-53.80000111.1L120 D123 G128 E129 M130L120-T126 HydrophobicContact CD1-CG2 3.71Å; D123-T126 PolarHBondContact O-N 3.14Å; D123-T126 PolarHBondContact OD1-N 3.07Å; D123-T126 PolarHBondContact OD1-OG1 3.08Å; D123-T126 VanDerWaalsContact OD2-CB 3.26Å; D123-T126 WeakPolarHBondContact OD2-CB 3.49Å; D123-T126 PolarHBondContact OD2-OG1 2.68Å; T126-G128 VanDerWaalsContact C-N 3.31Å; T126-G128 PolarHBondContact O-N 3.16Å; T126-E129 PolarHBondContact O-N 3.09Å; T126-M130 HydrophobicContact CG2-CE 4.38Å; T126-M130 WeakPolarHBondContact O-CG 3.31Å; T126-M130 PolarHBondContact O-N 2.92Å
127I92.8Very high91.3Very high0 Ų057.3 Ų57.30%032%0.321CS..Hα-helixtrans-60-43.5175.7-62.3168.6000110.8L113 H117 L120 G121 D123 W124 E129 M130 V131 V138L113-I127 HydrophobicContact CD1-CG2 3.72Å; H117-I127 HydrophobicContact CB-CD1 4.38Å; L120-I127 HydrophobicContact CB-CG1 4.41Å; L120-I127 HydrophobicContact CD1-CG1 4.07Å; G121-I127 WeakPolarHBondContact O-CD1 3.28Å; D123-I127 WeakPolarHBondContact O-CB 3.33Å; D123-I127 WeakPolarHBondContact O-CG1 3.39Å; D123-I127 PolarHBondContact O-N 3.01Å; W124-I127 HydrophobicContact CE3-CD1 4.01Å; W124-I127 HydrophobicContact CZ3-CD1 4.14Å; I127-E129 PolarHBondContact O-N 2.92Å; I127-M130 HydrophobicContact CB-CE 4.48Å; I127-M130 HydrophobicContact CG1-CE 4.2Å; I127-M130 PolarHBondContact O-N 3.22Å; I127-V131 WeakPolarHBondContact O-CG2 3.24Å; I127-V131 PolarHBondContact O-N 3.41Å; I127-V138 HydrophobicContact CB-CG1 4.06Å; I127-V138 HydrophobicContact CG2-CG1 3.49Å; I127-V138 VanDerWaalsContact CG2-CG1 3.49Å
128G90.9Very high91.3Very high2 Ų255.4 Ų55.42%0.02131%0.312CS..Hα-helixtrans-58.7-43.4177.100000113.7W124 K125 T126 V131 A132 R133W124-G128 PolarHBondContact O-N 3.33Å; K125-G128 PolarHBondContact O-N 3.01Å; T126-G128 VanDerWaalsContact C-N 3.31Å; T126-G128 PolarHBondContact O-N 3.16Å; G128-V131 PolarHBondContact O-N 3.04Å; G128-A132 WeakPolarHBondContact O-CA 3.44Å; G128-A132 PolarHBondContact O-N 2.8Å; G128-R133 CarbonylContact C-O 3.6Å; G128-R133 WeakPolarHBondContact CA-O 3.31Å; G128-R133 PolarHBondContact O-N 3.19Å
129E88.4Confident91.2Very high90 Ų9052.2 Ų52.242%0.42129%0.291SS..Hα-helixtrans-62.5-43.9175-70.6167.7-170.800111.2K125 T126 I127 V131 A132K125-E129 WeakPolarHBondContact CE-OE1 3.43Å; K125-E129 PolarHBondContact O-N 3.46Å; T126-E129 PolarHBondContact O-N 3.09Å; I127-E129 PolarHBondContact O-N 2.92Å; E129-V131 PolarHBondContact O-N 3.25Å; E129-A132 PolarHBondContact O-N 3.39Å
130M88Confident90.9Very high77 Ų7750.1 Ų50.138%0.37928%0.28SS..Hα-helixtrans-66.5-33.7178.7-68.3-171.4-63.200114.3Y116 L120 T126 I127Y116-M130 HydrophobicContact CD1-CE 3.34Å; Y116-M130 HydrophobicContact CD1-SD 3.67Å; Y116-M130 HydrophobicContact CD2-CB 4.23Å; Y116-M130 HydrophobicContact CD2-CE 4.05Å; Y116-M130 HydrophobicContact CE1-CB 4.49Å; Y116-M130 HydrophobicContact CE1-CE 3.9Å; Y116-M130 HydrophobicContact CE1-SD 3.57Å; Y116-M130 VanDerWaalsContact CE1-SD 3.57Å; Y116-M130 HydrophobicContact CE2-CB 3.9Å; Y116-M130 HydrophobicContact CG-CE 3.44Å; Y116-M130 VanDerWaalsContact CG-CE 3.44Å; Y116-M130 HydrophobicContact CG-SD 4.24Å; L120-M130 HydrophobicContact CD1-CE 3.24Å; L120-M130 HydrophobicContact CD1-SD 4.36Å; L120-M130 HydrophobicContact CG-CE 4.41Å; T126-M130 HydrophobicContact CG2-CE 4.38Å; T126-M130 WeakPolarHBondContact O-CG 3.31Å; T126-M130 PolarHBondContact O-N 2.92Å; I127-M130 HydrophobicContact CB-CE 4.48Å; I127-M130 HydrophobicContact CG1-CE 4.2Å; I127-M130 PolarHBondContact O-N 3.22Å
131V88.9Confident90.8Very high20 Ų2048.4 Ų48.412%0.12127%0.269CS..THydrogen-bonded Turntrans-96.99.5177.2-54.30000113.3K112 Y116 I127 G128 E129 R133 V138K112-V131 HydrophobicContact CB-CG1 4.4Å; Y116-V131 HydrophobicContact CD2-CG1 3.7Å; Y116-V131 HydrophobicContact CE2-CG1 3.82Å; I127-V131 WeakPolarHBondContact O-CG2 3.24Å; I127-V131 PolarHBondContact O-N 3.41Å; G128-V131 PolarHBondContact O-N 3.04Å; E129-V131 PolarHBondContact O-N 3.25Å; V131-R133 HydrophobicContact CG2-CB 4.04Å; V131-R133 HydrophobicContact CG2-CG 4.43Å; V131-R133 PolarHBondContact O-N 3.34Å; V131-V138 HydrophobicContact CG2-CG2 3.59Å
132A89Confident90.7Very high49 Ų4948.4 Ų48.441%0.40526%0.261SS..THydrogen-bonded Turntrans50.137.4-177.600000113.9K102 G128 E129K102-A132 WeakPolarHBondContact CE-O 3.42Å; G128-A132 WeakPolarHBondContact O-CA 3.44Å; G128-A132 PolarHBondContact O-N 2.8Å; E129-A132 PolarHBondContact O-N 3.39Å
133R91.1Very high90.3Very high17 Ų1745 Ų456%0.06425%0.246CC..SBendtrans-131.8150.8177.6-66.3-179.1178.8-110.32.7111.2N99 K102 G103 R104 Y105 D109 G128 V131 S135 V138N99-R133 CarbonylContact O-C 3.51Å; N99-R133 VanDerWaalsContact O-CA 3.3Å; N99-R133 WeakPolarHBondContact O-CA 3.49Å; K102-R133 HydrophobicContact CB-CG 4.08Å; K102-R133 HydrophobicContact CG-CG 4.12Å; K102-R133 PolarHBondContact O-NH2 3.49Å; G103-R133 PolarHBondContact O-NH1 2.83Å; R104-R133 PolarHBondContact O-NH2 3.36Å; Y105-R133 VanDerWaalsContact CE1-CD 3.45Å; Y105-R133 VanDerWaalsContact OH-CD 3.28Å; Y105-R133 WeakPolarHBondContact OH-CD 3.48Å; D109-R133 IonicContact OD2-CZ 3.43Å; D109-R133 IonicContact OD2-NE 3.35Å; D109-R133 IonicContact OD2-NH2 3.55Å; D109-R133 PolarHBondContact OD2-NH2 3.06Å; G128-R133 CarbonylContact C-O 3.6Å; G128-R133 WeakPolarHBondContact CA-O 3.31Å; G128-R133 PolarHBondContact O-N 3.19Å; V131-R133 HydrophobicContact CG2-CB 4.04Å; V131-R133 HydrophobicContact CG2-CG 4.43Å; V131-R133 PolarHBondContact O-N 3.34Å; R133-S135 PolarHBondContact O-N 3.31Å; R133-V138 HydrophobicContact CB-CG2 4.12Å
134S91.1Very high89.7Confident14 Ų1445.4 Ų45.410%0.09825%0.246CC..  trans-57.1143.1179.868.70000111.7N99 L136 S137 V138N99-S134 PolarHBondContact O-N 3.41Å; S134-L136 PolarHBondContact O-N 3.17Å; S134-S137 WeakPolarHBondContact O-CA 3.32Å; S134-S137 WeakPolarHBondContact O-CB 3.39Å; S134-S137 PolarHBondContact O-N 2.64Å; S134-S137 VanDerWaalsContact OG-CB 3.26Å; S134-S137 WeakPolarHBondContact OG-CB 3.42Å; S134-S137 PolarHBondContact OG-N 3.1Å; S134-V138 PolarHBondContact O-N 3.35Å
135S90.8Very high89.3Confident59 Ų5943.6 Ų43.641%0.41324%0.24SC..Hα-helixtrans-56-36.4-179.857.60000112.8W124 R133 V138 A139W124-S135 WeakPolarHBondContact O-CA 3.34Å; W124-S135 WeakPolarHBondContact O-CB 2.98Å; R133-S135 PolarHBondContact O-N 3.31Å; S135-V138 PolarHBondContact O-N 3.33Å; S135-A139 WeakPolarHBondContact O-CB 3.37Å; S135-A139 PolarHBondContact O-N 2.89Å
136L88.3Confident88.5Confident83 Ų8341.2 Ų41.244%0.43524%0.237SC..Hα-helixtrans-64-44.7174.5-179.462.9000111.9S134 V138 A139 L140S134-L136 PolarHBondContact O-N 3.17Å; L136-V138 VanDerWaalsContact C-N 3.3Å; L136-V138 PolarHBondContact O-N 3.03Å; L136-A139 PolarHBondContact O-N 3.45Å; L136-L140 HydrophobicContact CD1-CD1 4.06Å; L136-L140 HydrophobicContact CD1-CG 4.21Å; L136-L140 HydrophobicContact CG-CD1 3.96Å; L136-L140 HydrophobicContact CG-CG 4.5Å; L136-L140 WeakPolarHBondContact O-CB 3.5Å; L136-L140 VanDerWaalsContact O-CG 3.22Å; L136-L140 WeakPolarHBondContact O-CG 3.18Å; L136-L140 PolarHBondContact O-N 3.27Å
137S91.1Very high87.6Confident34 Ų3441 Ų4124%0.23824%0.238CC..Hα-helixtrans-60.4-43.1177.1177.40000111Y105 S134 K141Y105-S137 WeakPolarHBondContact CE2-OG 3.46Å; Y105-S137 VanDerWaalsContact OH-C 3.26Å; Y105-S137 PolarHBondContact OH-O 2.73Å; Y105-S137 PolarHBondContact OH-OG 3.5Å; S134-S137 WeakPolarHBondContact O-CA 3.32Å; S134-S137 WeakPolarHBondContact O-CB 3.39Å; S134-S137 PolarHBondContact O-N 2.64Å; S134-S137 VanDerWaalsContact OG-CB 3.26Å; S134-S137 WeakPolarHBondContact OG-CB 3.42Å; S134-S137 PolarHBondContact OG-N 3.1Å; S137-K141 VanDerWaalsContact O-CB 3.26Å; S137-K141 WeakPolarHBondContact O-CB 3.25Å; S137-K141 PolarHBondContact O-N 3.04Å
138V93.1Very high86.6Confident0 Ų050.6 Ų50.60%028%0.283CS..Hα-helixtrans-62.9-51.7178.31690000111.5Y105 L113 W124 I127 V131 R133 S134 S135 L136 L140 K141 F142Y105-V138 WeakPolarHBondContact OH-CA 3.03Å; Y105-V138 PolarHBondContact OH-N 3.32Å; L113-V138 HydrophobicContact CD1-CG1 3.43Å; L113-V138 VanDerWaalsContact CD1-CG1 3.43Å; W124-V138 HydrophobicContact CE3-CG1 3.71Å; W124-V138 HydrophobicContact CZ3-CG1 4.31Å; I127-V138 HydrophobicContact CB-CG1 4.06Å; I127-V138 HydrophobicContact CG2-CG1 3.49Å; I127-V138 VanDerWaalsContact CG2-CG1 3.49Å; V131-V138 HydrophobicContact CG2-CG2 3.59Å; R133-V138 HydrophobicContact CB-CG2 4.12Å; S134-V138 PolarHBondContact O-N 3.35Å; S135-V138 PolarHBondContact O-N 3.33Å; L136-V138 VanDerWaalsContact C-N 3.3Å; L136-V138 PolarHBondContact O-N 3.03Å; V138-L140 VanDerWaalsContact C-N 3.32Å; V138-L140 PolarHBondContact O-N 2.88Å; V138-K141 PolarHBondContact O-N 3.23Å; V138-F142 WeakPolarHBondContact O-CB 3.47Å; V138-F142 PolarHBondContact O-N 3.31Å
139A91Very high86.2Confident25 Ų2553.3 Ų53.321%0.20729%0.292CS..Hα-helixtrans-58.8-44.6178.400000111.8W124 S135 L136 F142 S143W124-A139 HydrophobicContact CB-CB 4.33Å; W124-A139 HydrophobicContact CD2-CB 3.75Å; W124-A139 HydrophobicContact CE3-CB 4.41Å; W124-A139 HydrophobicContact CG-CB 3.68Å; S135-A139 WeakPolarHBondContact O-CB 3.37Å; S135-A139 PolarHBondContact O-N 2.89Å; L136-A139 PolarHBondContact O-N 3.45Å; A139-F142 PolarHBondContact O-N 3.04Å; A139-S143 PolarHBondContact O-N 3.37Å
140L88.9Confident86Confident82 Ų8252.7 Ų52.743%0.42929%0.292SS..Hα-helixtrans-63.6-48177-73.2172.2000111.5L136 V138 F142 S143 Q144L136-L140 HydrophobicContact CD1-CD1 4.06Å; L136-L140 HydrophobicContact CD1-CG 4.21Å; L136-L140 HydrophobicContact CG-CD1 3.96Å; L136-L140 HydrophobicContact CG-CG 4.5Å; L136-L140 WeakPolarHBondContact O-CB 3.5Å; L136-L140 VanDerWaalsContact O-CG 3.22Å; L136-L140 WeakPolarHBondContact O-CG 3.18Å; L136-L140 PolarHBondContact O-N 3.27Å; V138-L140 VanDerWaalsContact C-N 3.32Å; V138-L140 PolarHBondContact O-N 2.88Å; L140-F142 VanDerWaalsContact C-N 3.31Å; L140-F142 PolarHBondContact O-N 3.33Å; L140-S143 PolarHBondContact O-N 3.32Å; L140-S143 PolarHBondContact O-OG 2.88Å; L140-Q144 WeakPolarHBondContact O-CG 3.12Å; L140-Q144 PolarHBondContact O-N 3.42Å
141K90.3Very high85.6Confident40 Ų4059.9 Ų59.917%0.17432%0.315CS..Hα-helixtrans-60.9-43.6178.217864.2177.1-178.10110.9Y105 T110 L113 S137 V138 S143 Q144 I145Y105-K141 HydrophobicContact CD1-CB 4.45Å; Y105-K141 HydrophobicContact CD1-CD 4.25Å; Y105-K141 HydrophobicContact CD1-CG 3.71Å; Y105-K141 HydrophobicContact CD2-CB 4.11Å; Y105-K141 HydrophobicContact CD2-CD 3.79Å; Y105-K141 HydrophobicContact CD2-CG 3.8Å; Y105-K141 HydrophobicContact CE1-CB 4.06Å; Y105-K141 HydrophobicContact CE1-CG 3.76Å; Y105-K141 HydrophobicContact CE2-CB 3.67Å; Y105-K141 HydrophobicContact CE2-CD 4.25Å; Y105-K141 HydrophobicContact CE2-CG 3.84Å; Y105-K141 HydrophobicContact CG-CB 4.49Å; Y105-K141 HydrophobicContact CG-CD 3.79Å; Y105-K141 HydrophobicContact CG-CG 3.74Å; T110-K141 WeakPolarHBondContact OG1-CE 3.48Å; L113-K141 HydrophobicContact CD2-CB 3.91Å; L113-K141 HydrophobicContact CD2-CG 3.58Å; S137-K141 VanDerWaalsContact O-CB 3.26Å; S137-K141 WeakPolarHBondContact O-CB 3.25Å; S137-K141 PolarHBondContact O-N 3.04Å; V138-K141 PolarHBondContact O-N 3.23Å; K141-S143 PolarHBondContact O-N 2.95Å; K141-Q144 WeakPolarHBondContact O-CB 3.43Å; K141-Q144 PolarHBondContact O-N 3.29Å; K141-Q144 VanDerWaalsContact O-N 3.07Å; K141-I145 HydrophobicContact CD-CG2 4.24Å; K141-I145 HydrophobicContact CG-CD1 4.44Å; K141-I145 WeakPolarHBondContact O-CG1 3.49Å; K141-I145 PolarHBondContact O-N 3.45Å
142F89.6Confident85.4Confident29 Ų2961.5 Ų61.513%0.12734%0.336CS..Hα-helixtrans-60-45.9178.3-169.7-96.4000111L113 H117 W124 V138 A139 L140 Q144 I145 S146L113-F142 HydrophobicContact CD1-CB 4.5Å; L113-F142 HydrophobicContact CD1-CD2 4.41Å; L113-F142 HydrophobicContact CD2-CB 4.25Å; L113-F142 HydrophobicContact CG-CD2 4.15Å; H117-F142 HydrophobicContact CB-CD2 4.03Å; H117-F142 HydrophobicContact CB-CE2 3.58Å; H117-F142 HydrophobicContact CB-CZ 4.08Å; H117-F142 AromaticContact CD2-CE1 3.81Å; H117-F142 AromaticContact CD2-CE2 3.99Å; H117-F142 AromaticContact CD2-CZ 3.74Å; H117-F142 AromaticContact CE1-CE1 3.55Å; H117-F142 AromaticContact CE1-CZ 3.34Å; H117-F142 WeakPolarHBondContact CE1-CZ 3.43Å; H117-F142 AromaticContact CG-CD2 3.99Å; H117-F142 AromaticContact CG-CE1 3.9Å; H117-F142 AromaticContact CG-CE2 3.38Å; H117-F142 AromaticContact CG-CZ 3.34Å; H117-F142 AromaticContact ND1-CE1 3.75Å; H117-F142 AromaticContact ND1-CE2 3.52Å; H117-F142 AromaticContact ND1-CZ 3.06Å; H117-F142 WeakPolarHBondContact ND1-CZ 3.26Å; H117-F142 AromaticContact NE2-CE1 3.57Å; H117-F142 AromaticContact NE2-CZ 3.72Å; W124-F142 HydrophobicContact CH2-CB 3.77Å; W124-F142 AromaticContact CH2-CD1 3.46Å; W124-F142 HydrophobicContact CH2-CD1 3.46Å; W124-F142 VanDerWaalsContact CH2-CD1 3.46Å; W124-F142 HydrophobicContact CH2-CD2 4.49Å; W124-F142 HydrophobicContact CH2-CE1 4.18Å; W124-F142 AromaticContact CH2-CG 3.64Å; W124-F142 HydrophobicContact CH2-CG 3.64Å; W124-F142 HydrophobicContact CZ2-CD1 4.35Å; W124-F142 HydrophobicContact CZ3-CB 3.79Å; W124-F142 HydrophobicContact CZ3-CD1 4.2Å; W124-F142 HydrophobicContact CZ3-CD2 4.49Å; W124-F142 AromaticContact CZ3-CG 3.9Å; W124-F142 HydrophobicContact CZ3-CG 3.9Å; V138-F142 WeakPolarHBondContact O-CB 3.47Å; V138-F142 PolarHBondContact O-N 3.31Å; A139-F142 PolarHBondContact O-N 3.04Å; L140-F142 VanDerWaalsContact C-N 3.31Å; L140-F142 PolarHBondContact O-N 3.33Å; F142-Q144 PolarHBondContact O-N 2.97Å; F142-I145 HydrophobicContact CD2-CD1 4.49Å; F142-I145 HydrophobicContact CD2-CG1 4.43Å; F142-I145 CarbonylContact O-C 3.53Å; F142-I145 WeakPolarHBondContact O-CG1 3.48Å; F142-I145 PolarHBondContact O-N 3.42Å; F142-S146 VanDerWaalsContact CE1-CB 3.41Å; F142-S146 WeakPolarHBondContact O-CA 3.45Å; F142-S146 WeakPolarHBondContact O-CB 3.44Å; F142-S146 PolarHBondContact O-N 3.43Å; F142-S146 PolarHBondContact O-OG 3.41Å
143S84.4Confident85.4Confident41 Ų4163.6 Ų63.629%0.28735%0.353SS..Hα-helixtrans-57-23.7176.276.80000114.2A139 L140 K141A139-S143 PolarHBondContact O-N 3.37Å; L140-S143 PolarHBondContact O-N 3.32Å; L140-S143 PolarHBondContact O-OG 2.88Å; K141-S143 PolarHBondContact O-N 2.95Å
144Q82.1Confident85.4Confident76 Ų7664.3 Ų64.336%0.35536%0.356SS..Hα-helixtrans-86-22.7178.2-63.9169.41.300113.3L140 K141 F142 M220L140-Q144 WeakPolarHBondContact O-CG 3.12Å; L140-Q144 PolarHBondContact O-N 3.42Å; K141-Q144 WeakPolarHBondContact O-CB 3.43Å; K141-Q144 PolarHBondContact O-N 3.29Å; K141-Q144 VanDerWaalsContact O-N 3.07Å; F142-Q144 PolarHBondContact O-N 2.97Å; Q144-M220 HydrophobicContact CG-CE 3.65Å
145I84.4Confident85.5Confident21 Ų2166 Ų6611%0.10837%0.367CS..Hα-helixtrans-117.9-7.8-172.169.2176.4000113.3T110 L113 K114 K141 F142 S147T110-I145 HydrophobicContact CG2-CB 4.4Å; T110-I145 HydrophobicContact CG2-CD1 3.47Å; T110-I145 VanDerWaalsContact CG2-CD1 3.47Å; T110-I145 HydrophobicContact CG2-CG1 4.49Å; T110-I145 HydrophobicContact CG2-CG2 4.11Å; L113-I145 HydrophobicContact CD2-CD1 3.82Å; L113-I145 HydrophobicContact CG-CD1 4.23Å; K114-I145 HydrophobicContact CG-CD1 4.09Å; K141-I145 HydrophobicContact CD-CG2 4.24Å; K141-I145 HydrophobicContact CG-CD1 4.44Å; K141-I145 WeakPolarHBondContact O-CG1 3.49Å; K141-I145 PolarHBondContact O-N 3.45Å; F142-I145 HydrophobicContact CD2-CD1 4.49Å; F142-I145 HydrophobicContact CD2-CG1 4.43Å; F142-I145 CarbonylContact O-C 3.53Å; F142-I145 WeakPolarHBondContact O-CG1 3.48Å; F142-I145 PolarHBondContact O-N 3.42Å; I145-S147 PolarHBondContact O-N 3.04Å
146S74.1Confident85.4Confident56 Ų5668.9 Ų68.939%0.39237%0.373SS..SBendtrans-65.3-21.1-172.857.90000113F142F142-S146 VanDerWaalsContact CE1-CB 3.41Å; F142-S146 WeakPolarHBondContact O-CA 3.45Å; F142-S146 WeakPolarHBondContact O-CB 3.44Å; F142-S146 PolarHBondContact O-N 3.43Å; F142-S146 PolarHBondContact O-OG 3.41Å
147S71.6Confident85.5Confident47 Ų4767.7 Ų67.733%0.32937%0.371SS..SBendtrans-131.7143.6-179.5-55.10000110.6I145 R149I145-S147 PolarHBondContact O-N 3.04Å; S147-R149 PolarHBondContact O-N 2.89Å
148Q71.9Confident85.6Confident200 Ų20066.6 Ų66.694%0.93536%0.362SS*.  trans-68.999.8170-166.5136.4-9.100108
149R82.4Confident85.5Confident59 Ų5967.1 Ų67.122%0.22337%0.366CS..  trans-105.1146.9179.8-61.3-63.7-166.6-131-7.4109.7S147 R151 E211 Q215 T216S147-R149 PolarHBondContact O-N 2.89Å; R149-R151 PolarHBondContact O-N 3.43Å; R149-E211 IonicContact CZ-OE1 3.65Å; R149-E211 IonicContact NE-OE1 3.65Å; R149-E211 PolarHBondContact NE-OE1 3.07Å; R149-E211 IonicContact NH2-OE1 2.82Å; R149-E211 PolarHBondContact NH2-OE1 3.27Å; R149-Q215 PolarHBondContact NH1-O 3.12Å; R149-T216 WeakPolarHBondContact CA-O 3.29Å
150N84.6Confident85.6Confident78 Ų7872.8 Ų72.842%0.41738%0.381SS..  trans-64.2132.1177.5-69.5-15.4000110.4E158 T216 R217 Q221N150-E158 PolarHBondContact ND2-OE1 2.99Å; N150-T216 PolarHBondContact N-O 2.94Å; N150-R217 WeakPolarHBondContact O-CD 3.23Å; N150-R217 PolarHBondContact O-NH1 2.82Å; N150-Q221 PolarHBondContact O-NE2 3.08Å
151R78.5Confident85.8Confident228 Ų22874.1 Ų74.186%0.8638%0.384SS*.  trans-115.8119.8171.7-62.2-176.7-178.4179.52.4107R149R149-R151 PolarHBondContact O-N 3.43Å
152G84.5Confident86.1Confident54 Ų5472.2 Ų72.256%0.55738%0.376SS*.SBendtrans136.8-172.2-173.800000113.1R217G152-R217 PolarHBondContact O-NH1 2.95Å; G152-R217 PolarHBondContact O-NH2 2.9Å
153A90.1Very high86.3Confident93 Ų9371.3 Ų71.377%0.76937%0.372SS*.SBendtrans-55.9148.1179.600000111.9R217A153-R217 PolarHBondContact O-NH2 3.12Å
154W91.7Very high86.7Confident32 Ų3275.2 Ų75.212%0.12138%0.384CS..PPolyproline II helixtrans-80.9126.5176.9-77.772.3000109.2E158 L162 V214 R217 Q221 K225W154-E158 HydrophobicContact CE3-CB 3.69Å; W154-E158 HydrophobicContact CZ3-CB 4.17Å; W154-L162 HydrophobicContact CH2-CB 4.4Å; W154-L162 HydrophobicContact CH2-CD2 3.78Å; W154-L162 HydrophobicContact CH2-CG 4.46Å; W154-L162 HydrophobicContact CZ2-CD2 4.45Å; W154-L162 HydrophobicContact CZ3-CB 3.88Å; W154-L162 HydrophobicContact CZ3-CD2 3.83Å; W154-L162 HydrophobicContact CZ3-CG 4.37Å; W154-V214 HydrophobicContact CZ3-CG1 4.43Å; W154-R217 HydrophobicContact CE3-CG 4.44Å; W154-R217 HydrophobicContact CH2-CB 3.8Å; W154-R217 HydrophobicContact CH2-CG 3.57Å; W154-R217 HydrophobicContact CZ2-CB 4Å; W154-R217 HydrophobicContact CZ2-CG 3.68Å; W154-R217 HydrophobicContact CZ3-CG 3.97Å; W154-Q221 HydrophobicContact CZ2-CB 4.11Å; W154-K225 HydrophobicContact CD2-CB 4.16Å; W154-K225 HydrophobicContact CD2-CD 4.25Å; W154-K225 HydrophobicContact CD2-CG 3.7Å; W154-K225 HydrophobicContact CE3-CG 4.14Å; W154-K225 HydrophobicContact CG-CD 4.01Å; W154-K225 HydrophobicContact CG-CG 4.01Å; W154-K225 HydrophobicContact CH2-CB 4.2Å; W154-K225 HydrophobicContact CH2-CG 4.46Å; W154-K225 HydrophobicContact CZ2-CB 3.56Å; W154-K225 HydrophobicContact CZ2-CG 4.03Å
155S91.6Very high87.2Confident49 Ų4971.7 Ų71.734%0.34337%0.368SS..PPolyproline II helixtrans-72.9156.4170.763.40000111.1S157 E158 T159S155-S157 PolarHBondContact O-N 3.35Å; S155-S157 VanDerWaalsContact O-N 3.17Å; S155-S157 PolarHBondContact OG-OG 3.36Å; S155-E158 PolarHBondContact N-OE2 3.49Å; S155-E158 WeakPolarHBondContact O-CB 3.2Å; S155-E158 PolarHBondContact O-N 3.18Å; S155-E158 WeakPolarHBondContact OG-CB 3.32Å; S155-E158 WeakPolarHBondContact OG-CG 3.26Å; S155-E158 PolarHBondContact OG-N 2.78Å; S155-E158 PolarHBondContact OG-OE2 3.48Å; S155-T159 PolarHBondContact O-N 3.29Å; S155-T159 PolarHBondContact O-OG1 3.21Å
156K89.9Confident87.7Confident120 Ų12070.7 Ų70.752%0.52236%0.363SS..Hα-helixtrans-55.7-34.4176-65.3-173.3177.6-174.80112.9R160K156-R160 WeakPolarHBondContact O-CB 3.3Å; K156-R160 WeakPolarHBondContact O-CG 3.46Å; K156-R160 PolarHBondContact O-N 3.38Å; K156-R160 PolarHBondContact O-NE 2.85Å
157S90.1Very high88.5Confident58 Ų5869.2 Ų69.241%0.40635%0.349SS..Hα-helixtrans-71.7-40.3177.459.30000111.9S155 K161S155-S157 PolarHBondContact O-N 3.35Å; S155-S157 VanDerWaalsContact O-N 3.17Å; S155-S157 PolarHBondContact OG-OG 3.36Å; S157-K161 WeakPolarHBondContact O-CG 3.32Å; S157-K161 PolarHBondContact O-N 3.07Å
158E91.9Very high89.3Confident11 Ų1170.2 Ų70.25%0.05135%0.349CS..Hα-helixtrans-62.6-44.5172.7-73.5178.9116.700111.4N150 W154 S155 K161 L162 T216 R217N150-E158 PolarHBondContact ND2-OE1 2.99Å; W154-E158 HydrophobicContact CE3-CB 3.69Å; W154-E158 HydrophobicContact CZ3-CB 4.17Å; S155-E158 PolarHBondContact N-OE2 3.49Å; S155-E158 WeakPolarHBondContact O-CB 3.2Å; S155-E158 PolarHBondContact O-N 3.18Å; S155-E158 WeakPolarHBondContact OG-CB 3.32Å; S155-E158 WeakPolarHBondContact OG-CG 3.26Å; S155-E158 PolarHBondContact OG-N 2.78Å; S155-E158 PolarHBondContact OG-OE2 3.48Å; E158-K161 PolarHBondContact O-N 3.24Å; E158-L162 PolarHBondContact O-N 3.37Å; E158-T216 HydrophobicContact CG-CG2 4.45Å; E158-T216 WeakPolarHBondContact CG-OG1 3.48Å; E158-T216 VanDerWaalsContact OE1-CB 3.28Å; E158-T216 WeakPolarHBondContact OE1-CB 3.4Å; E158-T216 PolarHBondContact OE1-OG1 3.4Å; E158-R217 IonicContact OE1-CZ 3.49Å; E158-R217 IonicContact OE1-NE 2.71Å; E158-R217 PolarHBondContact OE1-NE 3.36Å; E158-R217 IonicContact OE1-NH2 2.94Å; E158-R217 PolarHBondContact OE1-NH2 3.46Å; E158-R217 IonicContact OE2-CZ 3.05Å; E158-R217 IonicContact OE2-NE 3.85Å; E158-R217 IonicContact OE2-NH2 3.65Å; E158-R217 PolarHBondContact OE2-NH2 3.18Å
159T92.8Very high90.3Very high11 Ų1160.8 Ų60.87%0.06731%0.305CS..Hα-helixtrans-60.3-46.7177.7-63.50000111.3S155 K161 L162 I163 I229S155-T159 PolarHBondContact O-N 3.29Å; S155-T159 PolarHBondContact O-OG1 3.21Å; T159-K161 PolarHBondContact O-N 3.02Å; T159-L162 WeakPolarHBondContact O-CB 3.3Å; T159-L162 PolarHBondContact O-N 3.43Å; T159-I163 HydrophobicContact CG2-CD1 3.91Å; T159-I163 WeakPolarHBondContact O-CD1 3.47Å; T159-I163 WeakPolarHBondContact O-CG1 3.48Å; T159-I163 PolarHBondContact O-N 3.14Å; T159-I229 HydrophobicContact CG2-CD1 3.82Å
160R92.2Very high90.5Very high143 Ų14358.4 Ų58.454%0.5430%0.297SS..Hα-helixtrans-61.1-42.2175-79.8179.6-85.6139.3-11.2112.8K156 L162 I163 K164K156-R160 WeakPolarHBondContact O-CB 3.3Å; K156-R160 WeakPolarHBondContact O-CG 3.46Å; K156-R160 PolarHBondContact O-N 3.38Å; K156-R160 PolarHBondContact O-NE 2.85Å; R160-L162 VanDerWaalsContact C-N 3.33Å; R160-L162 PolarHBondContact O-N 2.59Å; R160-I163 PolarHBondContact O-N 3.06Å; R160-K164 WeakPolarHBondContact O-CB 3.24Å; R160-K164 PolarHBondContact O-N 3.42Å
161K94.1Very high90.5Very high111 Ų11157 Ų5748%0.48329%0.289SS..Hα-helixtrans-61.5-41174.6-76.5179.8-179.3-175.60112S157 E158 T159 A165S157-K161 WeakPolarHBondContact O-CG 3.32Å; S157-K161 PolarHBondContact O-N 3.07Å; E158-K161 PolarHBondContact O-N 3.24Å; T159-K161 PolarHBondContact O-N 3.02Å; K161-A165 VanDerWaalsContact O-CB 3.24Å; K161-A165 WeakPolarHBondContact O-CB 3.43Å; K161-A165 PolarHBondContact O-N 3.4Å
162L95.3Very high90.8Very high0 Ų053.2 Ų53.20%028%0.279CS..Hα-helixtrans-62.3-48.7176.417465000111.5W154 E158 T159 R160 K164 A165 V166 V210 V214 C222 K225 W226 I229W154-L162 HydrophobicContact CH2-CB 4.4Å; W154-L162 HydrophobicContact CH2-CD2 3.78Å; W154-L162 HydrophobicContact CH2-CG 4.46Å; W154-L162 HydrophobicContact CZ2-CD2 4.45Å; W154-L162 HydrophobicContact CZ3-CB 3.88Å; W154-L162 HydrophobicContact CZ3-CD2 3.83Å; W154-L162 HydrophobicContact CZ3-CG 4.37Å; E158-L162 PolarHBondContact O-N 3.37Å; T159-L162 WeakPolarHBondContact O-CB 3.3Å; T159-L162 PolarHBondContact O-N 3.43Å; R160-L162 VanDerWaalsContact C-N 3.33Å; R160-L162 PolarHBondContact O-N 2.59Å; L162-K164 VanDerWaalsContact C-N 3.35Å; L162-K164 PolarHBondContact O-N 2.94Å; L162-A165 PolarHBondContact O-N 3.02Å; L162-V166 HydrophobicContact CD1-CG2 4.05Å; L162-V166 WeakPolarHBondContact O-CG2 3.24Å; L162-V166 PolarHBondContact O-N 2.96Å; L162-V210 HydrophobicContact CD1-CG1 3.65Å; L162-V214 HydrophobicContact CB-CG2 4.2Å; L162-V214 HydrophobicContact CD1-CG2 4.09Å; L162-C222 HydrophobicContact CD1-CB 3.66Å; L162-K225 HydrophobicContact CD2-CB 3.77Å; L162-K225 HydrophobicContact CD2-CG 3.74Å; L162-W226 HydrophobicContact CD2-CB 4.49Å; L162-I229 HydrophobicContact CD2-CD1 4.11Å
163I93.6Very high90.5Very high9 Ų956.5 Ų56.55%0.04628%0.277CS..Hα-helixtrans-57-51.2179.4-67.7157.7000109.8T159 R160 A165 V166 E167 W226 I229 F351T159-I163 HydrophobicContact CG2-CD1 3.91Å; T159-I163 WeakPolarHBondContact O-CD1 3.47Å; T159-I163 WeakPolarHBondContact O-CG1 3.48Å; T159-I163 PolarHBondContact O-N 3.14Å; R160-I163 PolarHBondContact O-N 3.06Å; I163-A165 PolarHBondContact O-N 2.91Å; I163-V166 PolarHBondContact O-N 2.94Å; I163-E167 WeakPolarHBondContact O-CB 3.27Å; I163-E167 PolarHBondContact O-N 2.98Å; I163-W226 HydrophobicContact CG1-CZ3 4.32Å; I163-I229 HydrophobicContact CG1-CD1 4.28Å; I163-F351 HydrophobicContact CG2-CB 4.45Å; I163-F351 HydrophobicContact CG2-CD1 3.92Å
164K92.6Very high89.8Confident123 Ų12353.1 Ų53.154%0.53525%0.246SC..Hα-helixtrans-61.1-41.9178.3-172.4176.6-178.2178.60112.6R160 L162 V166 E167 E168R160-K164 WeakPolarHBondContact O-CB 3.24Å; R160-K164 PolarHBondContact O-N 3.42Å; L162-K164 VanDerWaalsContact C-N 3.35Å; L162-K164 PolarHBondContact O-N 2.94Å; K164-V166 VanDerWaalsContact C-N 3.34Å; K164-V166 PolarHBondContact O-N 3.28Å; K164-E167 WeakPolarHBondContact O-CB 3.1Å; K164-E167 PolarHBondContact O-N 3.38Å; K164-E168 WeakPolarHBondContact CE-OE1 3.1Å; K164-E168 WeakPolarHBondContact O-CG 3.46Å; K164-E168 PolarHBondContact O-N 2.97Å
165A94.2Very high88.6Confident3 Ų353.6 Ų53.63%0.02525%0.254CS..Hα-helixtrans-64-39.1178.200000112.3K161 L162 I163 V169 V210 K213 V214K161-A165 VanDerWaalsContact O-CB 3.24Å; K161-A165 WeakPolarHBondContact O-CB 3.43Å; K161-A165 PolarHBondContact O-N 3.4Å; L162-A165 PolarHBondContact O-N 3.02Å; I163-A165 PolarHBondContact O-N 2.91Å; A165-V169 VanDerWaalsContact O-CG2 3.26Å; A165-V169 WeakPolarHBondContact O-CG2 3.43Å; A165-V169 PolarHBondContact O-N 3.36Å; A165-V169 VanDerWaalsContact O-N 3.16Å; A165-V210 HydrophobicContact CB-CG1 4.12Å; A165-K213 HydrophobicContact CB-CB 3.68Å; A165-K213 HydrophobicContact CB-CD 4.03Å; A165-V214 HydrophobicContact CB-CG2 4Å
166V93.4Very high87.2Confident0 Ų055.9 Ų55.90%027%0.268CS..Hα-helixtrans-69.2-42.8176.1172.80000110.9L162 I163 K164 E168 V169 I170 I205 W207 V210 W226 F351L162-V166 HydrophobicContact CD1-CG2 4.05Å; L162-V166 WeakPolarHBondContact O-CG2 3.24Å; L162-V166 PolarHBondContact O-N 2.96Å; I163-V166 PolarHBondContact O-N 2.94Å; K164-V166 VanDerWaalsContact C-N 3.34Å; K164-V166 PolarHBondContact O-N 3.28Å; V166-E168 PolarHBondContact O-N 3.49Å; V166-V169 PolarHBondContact O-N 3.21Å; V166-I170 HydrophobicContact CG1-CD1 3.62Å; V166-I170 HydrophobicContact CG1-CG1 4.32Å; V166-I170 WeakPolarHBondContact O-CB 3.5Å; V166-I170 WeakPolarHBondContact O-CG1 3.39Å; V166-I170 PolarHBondContact O-N 3.16Å; V166-I205 HydrophobicContact CG1-CD1 4.07Å; V166-W207 HydrophobicContact CG2-CH2 4.25Å; V166-W207 HydrophobicContact CG2-CZ3 4.01Å; V166-V210 HydrophobicContact CG2-CG1 4.01Å; V166-V210 HydrophobicContact CG2-CG2 4.1Å; V166-W226 HydrophobicContact CB-CD2 4.35Å; V166-W226 HydrophobicContact CB-CE3 4.19Å; V166-W226 HydrophobicContact CB-CH2 4.45Å; V166-W226 HydrophobicContact CB-CZ3 4.25Å; V166-W226 HydrophobicContact CG1-CD2 3.92Å; V166-W226 HydrophobicContact CG1-CE3 4.15Å; V166-W226 HydrophobicContact CG1-CH2 3.9Å; V166-W226 HydrophobicContact CG1-CZ2 3.64Å; V166-W226 HydrophobicContact CG1-CZ3 4.14Å; V166-W226 HydrophobicContact CG2-CD2 4.1Å; V166-W226 HydrophobicContact CG2-CE3 4.09Å; V166-W226 HydrophobicContact CG2-CG 4.37Å; V166-F351 HydrophobicContact CG1-CE1 4.4Å
167E90.6Very high85.7Confident24 Ų2457.4 Ų57.411%0.11228%0.277CS..Hα-helixtrans-52.7-54.1174.1-167.9-174.7172.700111.1I163 K164 V169 I170 L171 F347 F351 Y352I163-E167 WeakPolarHBondContact O-CB 3.27Å; I163-E167 PolarHBondContact O-N 2.98Å; K164-E167 WeakPolarHBondContact O-CB 3.1Å; K164-E167 PolarHBondContact O-N 3.38Å; E167-V169 PolarHBondContact O-N 3.06Å; E167-I170 PolarHBondContact O-N 2.62Å; E167-L171 HydrophobicContact CG-CD1 4.06Å; E167-L171 WeakPolarHBondContact O-CB 3.49Å; E167-L171 VanDerWaalsContact O-CG 3.32Å; E167-L171 WeakPolarHBondContact O-CG 3.38Å; E167-L171 PolarHBondContact O-N 3.18Å; E167-F347 HydrophobicContact CG-CE1 3.81Å; E167-F347 HydrophobicContact CG-CZ 3.54Å; E167-F347 WeakPolarHBondContact OE1-CE1 3.35Å; E167-F351 HydrophobicContact CB-CD1 3.59Å; E167-F351 HydrophobicContact CB-CE1 3.65Å; E167-F351 HydrophobicContact CB-CG 4.35Å; E167-F351 HydrophobicContact CB-CZ 4.43Å; E167-F351 HydrophobicContact CG-CD1 3.81Å; E167-F351 HydrophobicContact CG-CE1 4.09Å; E167-F351 HydrophobicContact CG-CG 4.05Å; E167-Y352 PolarHBondContact OE1-OH 3.26Å
168E89.9Confident84.3Confident69 Ų6958 Ų5832%0.32227%0.273SS..Hα-helixtrans-60.8-40.7179.7-71.7173.3-170.800112.7K164 V166 I170 K172 K213K164-E168 WeakPolarHBondContact CE-OE1 3.1Å; K164-E168 WeakPolarHBondContact O-CG 3.46Å; K164-E168 PolarHBondContact O-N 2.97Å; V166-E168 PolarHBondContact O-N 3.49Å; E168-I170 VanDerWaalsContact C-N 3.34Å; E168-K172 VanDerWaalsContact O-CB 3.23Å; E168-K172 WeakPolarHBondContact O-CB 3.49Å; E168-K172 PolarHBondContact O-N 3.01Å; E168-K213 WeakPolarHBondContact OE2-CE 3.15Å; E168-K213 IonicContact OE2-NZ 3.91Å; E168-K213 PolarHBondContact OE2-NZ 3.33Å
169V91.4Very high82.8Confident1 Ų160.2 Ų60.21%0.00629%0.285CS..Hα-helixtrans-68.1-35.7178.8168.70000111.7A165 V166 E167 K173 I205 E209 V210 K213A165-V169 VanDerWaalsContact O-CG2 3.26Å; A165-V169 WeakPolarHBondContact O-CG2 3.43Å; A165-V169 PolarHBondContact O-N 3.36Å; A165-V169 VanDerWaalsContact O-N 3.16Å; V166-V169 PolarHBondContact O-N 3.21Å; E167-V169 PolarHBondContact O-N 3.06Å; V169-K173 WeakPolarHBondContact O-CG 3.32Å; V169-I205 HydrophobicContact CG1-CG2 4.15Å; V169-E209 HydrophobicContact CG2-CB 4.19Å; V169-E209 HydrophobicContact CG2-CG 3.8Å; V169-V210 HydrophobicContact CB-CG2 4.33Å; V169-V210 HydrophobicContact CG2-CG2 3.92Å; V169-K213 HydrophobicContact CG2-CD 4.49Å
170I88.6Confident81.2Confident10 Ų1066.9 Ų66.95%0.05131%0.314CS..Hα-helixtrans-70.6-48.3176.1-74.1170.9000110.1V166 E167 E168 K172 K173 M174 I196 L201 I205 F351V166-I170 HydrophobicContact CG1-CD1 3.62Å; V166-I170 HydrophobicContact CG1-CG1 4.32Å; V166-I170 WeakPolarHBondContact O-CB 3.5Å; V166-I170 WeakPolarHBondContact O-CG1 3.39Å; V166-I170 PolarHBondContact O-N 3.16Å; E167-I170 PolarHBondContact O-N 2.62Å; E168-I170 VanDerWaalsContact C-N 3.34Å; I170-K172 PolarHBondContact O-N 2.8Å; I170-K173 PolarHBondContact O-N 2.92Å; I170-K173 VanDerWaalsContact O-N 3.09Å; I170-M174 HydrophobicContact CG2-CE 3.92Å; I170-M174 PolarHBondContact O-N 3Å; I170-I196 HydrophobicContact CG2-CD1 3.57Å; I170-L201 HydrophobicContact CD1-CD2 4.41Å; I170-I205 HydrophobicContact CD1-CD1 4.07Å; I170-I205 HydrophobicContact CD1-CG1 4.49Å; I170-I205 HydrophobicContact CG1-CD1 4.35Å; I170-I205 HydrophobicContact CG1-CG1 4.24Å; I170-F351 HydrophobicContact CD1-CZ 3.96Å
171L84.4Confident79.6Confident47 Ų4766.1 Ų66.125%0.24632%0.316CS..Hα-helixtrans-60.5-43179.3-71.4174000112E167 K173 M174 F347E167-L171 HydrophobicContact CG-CD1 4.06Å; E167-L171 WeakPolarHBondContact O-CB 3.49Å; E167-L171 VanDerWaalsContact O-CG 3.32Å; E167-L171 WeakPolarHBondContact O-CG 3.38Å; E167-L171 PolarHBondContact O-N 3.18Å; L171-K173 PolarHBondContact O-N 3.46Å; L171-K173 VanDerWaalsContact O-N 3.12Å; L171-M174 HydrophobicContact CD2-CE 4.18Å; L171-M174 HydrophobicContact CD2-SD 4.02Å; L171-M174 WeakPolarHBondContact O-CB 3.36Å; L171-M174 PolarHBondContact O-N 3.23Å; L171-F347 HydrophobicContact CD1-CZ 4.3Å; L171-F347 HydrophobicContact CD2-CE2 4.15Å; L171-F347 HydrophobicContact CD2-CZ 3.97Å; L171-F347 HydrophobicContact CG-CZ 4.17Å
172K84Confident77.8Confident149 Ų14961.5 Ų61.565%0.64830%0.297SS*.THydrogen-bonded Turntrans-60-23.3176.6-178.9176.3171.4-173.40113.6E168 I170 E209E168-K172 VanDerWaalsContact O-CB 3.23Å; E168-K172 WeakPolarHBondContact O-CB 3.49Å; E168-K172 PolarHBondContact O-N 3.01Å; I170-K172 PolarHBondContact O-N 2.8Å; K172-E209 IonicContact NZ-OE1 2.65Å; K172-E209 PolarHBondContact NZ-OE1 3.43Å
173K77.6Confident75.9Confident123 Ų12366 Ų6654%0.53532%0.321SS..THydrogen-bonded Turntrans-93.3-7.8178.7-72.1-171.1177.5-153.80113.8V169 I170 L171 G204V169-K173 WeakPolarHBondContact O-CG 3.32Å; I170-K173 PolarHBondContact O-N 2.92Å; I170-K173 VanDerWaalsContact O-N 3.09Å; L171-K173 PolarHBondContact O-N 3.46Å; L171-K173 VanDerWaalsContact O-N 3.12Å; K173-G204 PolarHBondContact NZ-O 3.33Å
174M75.3Confident74.2Confident23 Ų2368.9 Ų68.911%0.11334%0.342CS..SBendtrans-69146173.2-65-170.1179.700110I170 L171 E178 L179 I196I170-M174 HydrophobicContact CG2-CE 3.92Å; I170-M174 PolarHBondContact O-N 3Å; L171-M174 HydrophobicContact CD2-CE 4.18Å; L171-M174 HydrophobicContact CD2-SD 4.02Å; L171-M174 WeakPolarHBondContact O-CB 3.36Å; L171-M174 PolarHBondContact O-N 3.23Å; M174-E178 WeakPolarHBondContact CA-OE2 3.32Å; M174-E178 HydrophobicContact CB-CB 4.12Å; M174-L179 HydrophobicContact CB-CG 4.24Å; M174-I196 HydrophobicContact CE-CD1 4.05Å
175S67.4Low72.4Confident42 Ų4268.3 Ų68.329%0.29434%0.34SS..  trans-67.8157.2179.274.20000111.1Q177 E178 L179S175-Q177 PolarHBondContact O-N 3.03Å; S175-Q177 VanDerWaalsContact O-N 3.12Å; S175-E178 PolarHBondContact N-OE2 3.38Å; S175-E178 PolarHBondContact O-N 3.26Å; S175-E178 VanDerWaalsContact O-N 3.1Å; S175-E178 VanDerWaalsContact OG-CG 3.32Å; S175-E178 WeakPolarHBondContact OG-CG 3.44Å; S175-E178 PolarHBondContact OG-N 3.46Å; S175-E178 VanDerWaalsContact OG-N 3.12Å; S175-L179 WeakPolarHBondContact O-CG 3.37Å; S175-L179 PolarHBondContact O-N 2.81Å
176P61.4Low70.3Confident97 Ų9771.9 Ų71.963%0.6336%0.358SS*.Hα-helixtrans-57.9-24.1173.9-25.134.6000114.1K180P176-K180 WeakPolarHBondContact O-CG 3.22Å; P176-K180 PolarHBondContact O-N 3.4Å; P176-K180 VanDerWaalsContact O-N 3.12Å
177Q58.5Low68.5Low152 Ų15280.1 Ų80.171%0.7140%0.396SS*.Hα-helixtrans-76.2-44.5175.3-69.8165.9-21.700111S175 L179 K180 E181S175-Q177 PolarHBondContact O-N 3.03Å; S175-Q177 VanDerWaalsContact O-N 3.12Å; Q177-L179 VanDerWaalsContact C-N 3.31Å; Q177-L179 PolarHBondContact O-N 3.26Å; Q177-K180 PolarHBondContact O-N 3.4Å; Q177-E181 PolarHBondContact O-N 2.61Å
178E61.4Low66.8Low69 Ų6987.2 Ų87.232%0.32243%0.43SS..Hα-helixtrans-61.5-40.4172.6-69.9174144.700111M174 S175 E181 V182 K200M174-E178 WeakPolarHBondContact CA-OE2 3.32Å; M174-E178 HydrophobicContact CB-CB 4.12Å; S175-E178 PolarHBondContact N-OE2 3.38Å; S175-E178 PolarHBondContact O-N 3.26Å; S175-E178 VanDerWaalsContact O-N 3.1Å; S175-E178 VanDerWaalsContact OG-CG 3.32Å; S175-E178 WeakPolarHBondContact OG-CG 3.44Å; S175-E178 PolarHBondContact OG-N 3.46Å; S175-E178 VanDerWaalsContact OG-N 3.12Å; E178-E181 PolarHBondContact O-N 2.79Å; E178-V182 WeakPolarHBondContact O-CB 3.42Å; E178-V182 WeakPolarHBondContact O-CG2 3.44Å; E178-V182 PolarHBondContact O-N 2.79Å; E178-K200 IonicContact OE1-NZ 3.72Å; E178-K200 PolarHBondContact OE1-NZ 2.96Å; E178-K200 IonicContact OE2-NZ 2.85Å; E178-K200 PolarHBondContact OE2-NZ 3.43Å
179L60.2Low64.8Low59 Ų5987.3 Ų87.331%0.30943%0.432SS..Hα-helixtrans-65-36.8175.7-74.3159.6000112.8M174 S175 Q177 V182 D183M174-L179 HydrophobicContact CB-CG 4.24Å; S175-L179 WeakPolarHBondContact O-CG 3.37Å; S175-L179 PolarHBondContact O-N 2.81Å; Q177-L179 VanDerWaalsContact C-N 3.31Å; Q177-L179 PolarHBondContact O-N 3.26Å; L179-V182 WeakPolarHBondContact O-CB 3.35Å; L179-V182 PolarHBondContact O-N 2.77Å; L179-D183 WeakPolarHBondContact O-CB 3.44Å; L179-D183 VanDerWaalsContact O-CG 3.31Å; L179-D183 PolarHBondContact O-N 2.89Å
180K59.3Low62.8Low151 Ų15192.2 Ų92.266%0.65746%0.464SS*.Hα-helixtrans-69.5-40.6175-79.9179.5179.8-172.70112.6P176 Q177 V182 D183 S184P176-K180 WeakPolarHBondContact O-CG 3.22Å; P176-K180 PolarHBondContact O-N 3.4Å; P176-K180 VanDerWaalsContact O-N 3.12Å; Q177-K180 PolarHBondContact O-N 3.4Å; K180-V182 PolarHBondContact O-N 3.42Å; K180-D183 PolarHBondContact O-N 3.26Å; K180-S184 WeakPolarHBondContact O-CB 3.32Å; K180-S184 PolarHBondContact O-N 3.2Å; K180-S184 PolarHBondContact O-OG 3.16Å
181E59.3Low60.7Low127 Ų12799 Ų9959%0.59350%0.495SS*.Hα-helixtrans-63.9-33.3172.5-73.4-178.1-172.500111.8Q177 E178 K185Q177-E181 PolarHBondContact O-N 2.61Å; E178-E181 PolarHBondContact O-N 2.79Å; E181-K185 WeakPolarHBondContact O-CB 3.34Å; E181-K185 VanDerWaalsContact O-CG 3.31Å; E181-K185 WeakPolarHBondContact O-CG 3.3Å; E181-K185 PolarHBondContact O-N 2.93Å
182V55Low59.2Low13 Ų13100.9 Ų100.98%0.07951%0.513CS..Hα-helixtrans-66.1-52.1173.4166.60000111.7E178 L179 K180 S184 K185 L186 L194E178-V182 WeakPolarHBondContact O-CB 3.42Å; E178-V182 WeakPolarHBondContact O-CG2 3.44Å; E178-V182 PolarHBondContact O-N 2.79Å; L179-V182 WeakPolarHBondContact O-CB 3.35Å; L179-V182 PolarHBondContact O-N 2.77Å; K180-V182 PolarHBondContact O-N 3.42Å; V182-S184 PolarHBondContact O-N 2.77Å; V182-K185 PolarHBondContact O-N 3.15Å; V182-L186 HydrophobicContact CG1-CD1 3.61Å; V182-L186 HydrophobicContact CG1-CG 4.33Å; V182-L186 WeakPolarHBondContact O-CB 3.32Å; V182-L186 VanDerWaalsContact O-CG 3.29Å; V182-L186 WeakPolarHBondContact O-CG 3.39Å; V182-L186 PolarHBondContact O-N 2.82Å; V182-L194 HydrophobicContact CB-CD1 4.22Å; V182-L194 HydrophobicContact CB-CD2 3.83Å; V182-L194 HydrophobicContact CG1-CD1 3.57Å; V182-L194 HydrophobicContact CG1-CD2 4.1Å; V182-L194 HydrophobicContact CG1-CG 4.35Å; V182-L194 HydrophobicContact CG2-CD1 3.88Å; V182-L194 HydrophobicContact CG2-CD2 3.22Å; V182-L194 HydrophobicContact CG2-CG 4.14Å
183D55.1Low57.5Low94 Ų9495.1 Ų95.150%0.50349%0.491SS..Hα-helixtrans-64.8-37.8-177.4-73.7-21000112.2L179 K180 Q187L179-D183 WeakPolarHBondContact O-CB 3.44Å; L179-D183 VanDerWaalsContact O-CG 3.31Å; L179-D183 PolarHBondContact O-N 2.89Å; K180-D183 PolarHBondContact O-N 3.26Å; D183-Q187 PolarHBondContact O-N 3Å
184S58.1Low56.8Low71 Ų7190.9 Ų90.950%0.49747%0.474SS..Hα-helixtrans-67-39.3175.2-650000112.8K180 V182 Q187K180-S184 WeakPolarHBondContact O-CB 3.32Å; K180-S184 PolarHBondContact O-N 3.2Å; K180-S184 PolarHBondContact O-OG 3.16Å; V182-S184 PolarHBondContact O-N 2.77Å; S184-Q187 PolarHBondContact O-N 2.99Å
185K54.9Low56.6Low111 Ų11194 Ų9448%0.48350%0.498SS..Hα-helixtrans-74.8-29.9177.9-73.1180178.9177.40113.3E181 V182 Q187 E188 N189E181-K185 WeakPolarHBondContact O-CB 3.34Å; E181-K185 VanDerWaalsContact O-CG 3.31Å; E181-K185 WeakPolarHBondContact O-CG 3.3Å; E181-K185 PolarHBondContact O-N 2.93Å; V182-K185 PolarHBondContact O-N 3.15Å; K185-Q187 VanDerWaalsContact C-N 3.27Å; K185-Q187 PolarHBondContact O-N 3.38Å; K185-E188 PolarHBondContact O-N 3.26Å; K185-N189 PolarHBondContact O-N 2.93Å
186L50.7Low57.2Low77 Ų7792.1 Ų92.140%0.40349%0.485SS..Hα-helixtrans-64.1-30.3173.2-81.4166.6000112.8V182 C193V182-L186 HydrophobicContact CG1-CD1 3.61Å; V182-L186 HydrophobicContact CG1-CG 4.33Å; V182-L186 WeakPolarHBondContact O-CB 3.32Å; V182-L186 VanDerWaalsContact O-CG 3.29Å; V182-L186 WeakPolarHBondContact O-CG 3.39Å; V182-L186 PolarHBondContact O-N 2.82Å; L186-C193 WeakPolarHBondContact CD2-SG 3.47Å
187Q54.8Low58.3Low174 Ų17490.5 Ų90.581%0.81347%0.473SS*.Hα-helixtrans-77.5-28177.7-74.3-175-10.100113.5D183 S184 K185D183-Q187 PolarHBondContact O-N 3Å; S184-Q187 PolarHBondContact O-N 2.99Å; K185-Q187 VanDerWaalsContact C-N 3.27Å; K185-Q187 PolarHBondContact O-N 3.38Å
188E55.8Low59.6Low173 Ų17383.3 Ų83.381%0.80844%0.439SS*.Hα-helixtrans-88.7-36-176.2-71.6-177.5172.500113.6K185K185-E188 PolarHBondContact O-N 3.26Å
189N48.4Very low60.8Low71 Ų7182.4 Ų82.438%0.3844%0.435SS..  trans-160.6112.2173.5-167.8-7.7000111.8K185 E191 S192K185-N189 PolarHBondContact O-N 2.93Å; N189-E191 PolarHBondContact O-N 2.89Å; N189-E191 PolarHBondContact OD1-N 3.33Å; N189-E191 VanDerWaalsContact OD1-N 3.11Å; N189-S192 PolarHBondContact O-N 3.47Å
190P48.2Very low62Low103 Ų10382.8 Ų82.867%0.66943%0.434SS*.THydrogen-bonded Turntrans-58-23.7176.8-22.232.2000113.7
191E45.7Very low63.4Low152 Ų15275.6 Ų75.671%0.7140%0.403SS*.THydrogen-bonded Turntrans-86.6-17.2-176-61.1-170.5158.100114N189 C193N189-E191 PolarHBondContact O-N 2.89Å; N189-E191 PolarHBondContact OD1-N 3.33Å; N189-E191 VanDerWaalsContact OD1-N 3.11Å; E191-C193 PolarHBondContact O-N 3.46Å
192S51.8Low64.8Low88 Ų8871.3 Ų71.362%0.61538%0.381SS*.SBendtrans-99.937.5-178.1-159.70000112.8N189 L194N189-S192 PolarHBondContact O-N 3.47Å; S192-L194 PolarHBondContact O-N 3.02Å
193C49.2Very low66.3Low27 Ų2775.9 Ų75.918%0.18240%0.4CS..  trans-92.1108.6-162.5-154.90000112.5L186 E191L186-C193 WeakPolarHBondContact CD2-SG 3.47Å; E191-C193 PolarHBondContact O-N 3.46Å
194L62.8Low67.7Low34 Ų3474.1 Ų74.118%0.17840%0.404CS..  trans64.5112.4151.3-56.6167.7000117.4V182 S192 F347V182-L194 HydrophobicContact CB-CD1 4.22Å; V182-L194 HydrophobicContact CB-CD2 3.83Å; V182-L194 HydrophobicContact CG1-CD1 3.57Å; V182-L194 HydrophobicContact CG1-CD2 4.1Å; V182-L194 HydrophobicContact CG1-CG 4.35Å; V182-L194 HydrophobicContact CG2-CD1 3.88Å; V182-L194 HydrophobicContact CG2-CD2 3.22Å; V182-L194 HydrophobicContact CG2-CG 4.14Å; S192-L194 PolarHBondContact O-N 3.02Å; L194-F347 HydrophobicContact CB-CB 3.86Å; L194-F347 HydrophobicContact CB-CG 4.43Å; L194-F347 VanDerWaalsContact O-CB 3.24Å; L194-F347 WeakPolarHBondContact O-CB 3.33Å; L194-F347 PolarHBondContact O-N 3.12Å
195S71.1Confident69.2Low88 Ų8871.5 Ų71.562%0.61539%0.385SS*.EExtended strand (participates in β ladder)trans-82.9121.9161.8580000109.8F345S195-F345 CarbonylContact C-O 3.53Å; S195-F345 WeakPolarHBondContact CA-O 3.34Å
196I79.4Confident71Confident4 Ų468.3 Ų68.32%0.02138%0.376CS..EExtended strand (participates in β ladder)trans-95.6133.5171.9-176158.1000110.6I170 M174 R198 K200 L201 V344 F345 F347I170-I196 HydrophobicContact CG2-CD1 3.57Å; M174-I196 HydrophobicContact CE-CD1 4.05Å; I196-R198 PolarHBondContact O-N 3.2Å; I196-K200 HydrophobicContact CD1-CB 4.18Å; I196-K200 HydrophobicContact CG1-CB 4.1Å; I196-L201 HydrophobicContact CD1-CD2 3.64Å; I196-L201 HydrophobicContact CD1-CG 4.36Å; I196-L201 HydrophobicContact CG1-CD2 4.1Å; I196-L201 HydrophobicContact CG1-CG 4.37Å; I196-L201 HydrophobicContact CG2-CD1 4.21Å; I196-L201 HydrophobicContact CG2-CD2 3.86Å; I196-L201 HydrophobicContact CG2-CG 4.24Å; I196-V344 WeakPolarHBondContact O-CA 3.47Å; I196-F345 HydrophobicContact CG2-CB 4.32Å; I196-F345 WeakPolarHBondContact CG2-O 3.49Å; I196-F345 PolarHBondContact N-O 2.82Å; I196-F345 PolarHBondContact O-N 2.89Å; I196-F347 HydrophobicContact CB-CD2 4.37Å; I196-F347 HydrophobicContact CD1-CE2 4.45Å; I196-F347 HydrophobicContact CG2-CD2 4.49Å
197V84.6Confident73Confident62 Ų6266 Ų6638%0.37636%0.362SS..EExtended strand (participates in β ladder)trans-62.7129.7173.5175.20000109.5E199 K200V197-E199 VanDerWaalsContact C-N 3.29Å; V197-E199 WeakPolarHBondContact CG1-OE2 3.16Å; V197-E199 PolarHBondContact O-N 2.84Å; V197-K200 HydrophobicContact CB-CD 4.38Å; V197-K200 HydrophobicContact CB-CG 4.24Å; V197-K200 WeakPolarHBondContact O-CB 3.49Å; V197-K200 PolarHBondContact O-N 3.31Å
198R86.1Confident74.6Confident1 Ų162.5 Ų62.50%0.00435%0.352CS..G310 helixtrans-45.5-50.2-175.1-178.8-170.8-170.799.8-4.2112.5I196 K200 L201 Y202 M234 E271 D279 V280 P341 K342 Q343 F345I196-R198 PolarHBondContact O-N 3.2Å; R198-K200 VanDerWaalsContact C-N 3.26Å; R198-K200 PolarHBondContact O-N 3.06Å; R198-L201 VanDerWaalsContact O-CB 3.28Å; R198-L201 WeakPolarHBondContact O-CB 3.32Å; R198-L201 PolarHBondContact O-N 2.97Å; R198-L201 VanDerWaalsContact O-N 3.07Å; R198-Y202 HydrophobicContact CG-CE1 4Å; R198-Y202 WeakPolarHBondContact O-CE1 3.26Å; R198-M234 HydrophobicContact CG-CE 3.98Å; R198-E271 IonicContact NE-OE1 2.86Å; R198-E271 PolarHBondContact NE-OE1 3.14Å; R198-D279 IonicContact CZ-OD1 3.71Å; R198-D279 IonicContact NH1-OD1 2.83Å; R198-D279 PolarHBondContact NH1-OD1 3.18Å; R198-V280 VanDerWaalsContact NH2-N 3.19Å; R198-V280 PolarHBondContact NH2-O 3.33Å; R198-P341 VanDerWaalsContact NH1-CB 3.33Å; R198-K342 WeakPolarHBondContact CD-O 3.33Å; R198-K342 PolarHBondContact NH1-O 2.81Å; R198-Q343 WeakPolarHBondContact CB-O 3.44Å; R198-Q343 PolarHBondContact N-O 2.75Å; R198-F345 HydrophobicContact CB-CD2 4.42Å; R198-F345 HydrophobicContact CB-CE2 4.15Å; R198-F345 HydrophobicContact CG-CE2 4.01Å
199E85.6Confident76.3Confident50 Ų5056.6 Ų56.623%0.23433%0.325CS..G310 helixtrans-61.8-32.5-175.7-6978.3-173.700113V197 L201 Y202 K203V197-E199 VanDerWaalsContact C-N 3.29Å; V197-E199 WeakPolarHBondContact CG1-OE2 3.16Å; V197-E199 PolarHBondContact O-N 2.84Å; E199-L201 PolarHBondContact O-N 2.95Å; E199-L201 VanDerWaalsContact O-N 3.17Å; E199-Y202 PolarHBondContact O-N 2.94Å; E199-K203 HydrophobicContact CB-CD 4Å; E199-K203 HydrophobicContact CB-CG 4.34Å; E199-K203 HydrophobicContact CG-CD 4.07Å; E199-K203 WeakPolarHBondContact O-CA 3.28Å; E199-K203 VanDerWaalsContact O-CB 3.29Å; E199-K203 WeakPolarHBondContact O-CB 3.39Å; E199-K203 PolarHBondContact O-N 3.15Å
200K86.3Confident78.4Confident68 Ų6853.2 Ų53.230%0.29631%0.307SS..G310 helixtrans-65.1-18.9-180-66.2-171.2178.6-175.20112.2E178 I196 V197 R198 Y202E178-K200 IonicContact OE1-NZ 3.72Å; E178-K200 PolarHBondContact OE1-NZ 2.96Å; E178-K200 IonicContact OE2-NZ 2.85Å; E178-K200 PolarHBondContact OE2-NZ 3.43Å; I196-K200 HydrophobicContact CD1-CB 4.18Å; I196-K200 HydrophobicContact CG1-CB 4.1Å; V197-K200 HydrophobicContact CB-CD 4.38Å; V197-K200 HydrophobicContact CB-CG 4.24Å; V197-K200 WeakPolarHBondContact O-CB 3.49Å; V197-K200 PolarHBondContact O-N 3.31Å; R198-K200 VanDerWaalsContact C-N 3.26Å; R198-K200 PolarHBondContact O-N 3.06Å; K200-Y202 VanDerWaalsContact C-N 3.28Å; K200-Y202 PolarHBondContact O-N 3.19Å
201L88.4Confident80.5Confident0 Ų049.2 Ų49.20%028%0.279CS..G310 helixtrans-75.3-12.7178.6-61.7174.5000113.7I170 I196 R198 E199 I205 W226 L230 F345 I350 F351I170-L201 HydrophobicContact CD1-CD2 4.41Å; I196-L201 HydrophobicContact CD1-CD2 3.64Å; I196-L201 HydrophobicContact CD1-CG 4.36Å; I196-L201 HydrophobicContact CG1-CD2 4.1Å; I196-L201 HydrophobicContact CG1-CG 4.37Å; I196-L201 HydrophobicContact CG2-CD1 4.21Å; I196-L201 HydrophobicContact CG2-CD2 3.86Å; I196-L201 HydrophobicContact CG2-CG 4.24Å; R198-L201 VanDerWaalsContact O-CB 3.28Å; R198-L201 WeakPolarHBondContact O-CB 3.32Å; R198-L201 PolarHBondContact O-N 2.97Å; R198-L201 VanDerWaalsContact O-N 3.07Å; E199-L201 PolarHBondContact O-N 2.95Å; E199-L201 VanDerWaalsContact O-N 3.17Å; L201-I205 VanDerWaalsContact O-CD1 3.26Å; L201-I205 WeakPolarHBondContact O-CD1 3.02Å; L201-W226 PolarHBondContact O-NE1 3.18Å; L201-L230 HydrophobicContact CB-CD1 3.97Å; L201-L230 HydrophobicContact CB-CD2 3.89Å; L201-L230 HydrophobicContact CD1-CD1 3.79Å; L201-L230 HydrophobicContact CG-CD1 4.36Å; L201-F345 HydrophobicContact CD1-CD2 4.2Å; L201-I350 HydrophobicContact CD1-CD1 4.22Å; L201-I350 HydrophobicContact CD1-CG1 4.11Å; L201-I350 HydrophobicContact CD1-CG2 4.32Å; L201-I350 HydrophobicContact CD2-CG2 3.76Å; L201-F351 HydrophobicContact CD2-CE2 4.28Å; L201-F351 HydrophobicContact CD2-CZ 4.26Å
202Y87.9Confident82.7Confident36 Ų3645 Ų4514%0.14127%0.271CS..THydrogen-bonded Turntrans-146.5-25-18049.6-89.5000114.8R198 E199 K200 L230 E271 P281 P282R198-Y202 HydrophobicContact CG-CE1 4Å; R198-Y202 WeakPolarHBondContact O-CE1 3.26Å; E199-Y202 PolarHBondContact O-N 2.94Å; K200-Y202 VanDerWaalsContact C-N 3.28Å; K200-Y202 PolarHBondContact O-N 3.19Å; Y202-L230 HydrophobicContact CD1-CD2 3.98Å; Y202-E271 WeakPolarHBondContact CE2-OE2 3.39Å; Y202-E271 PolarHBondContact OH-OE1 2.96Å; Y202-E271 PolarHBondContact OH-OE2 3.29Å; Y202-P281 HydrophobicContact CD1-CB 4.44Å; Y202-P282 VanDerWaalsContact CE2-CD 3.47Å; Y202-P282 HydrophobicContact CE2-CG 3.74Å
203K87.3Confident84.6Confident110 Ų11045 Ų4548%0.47826%0.259SS..SBendtrans-83.4135.8174-61.3-172.7-173.7158.20109.6E199 I205 E271E199-K203 HydrophobicContact CB-CD 4Å; E199-K203 HydrophobicContact CB-CG 4.34Å; E199-K203 HydrophobicContact CG-CD 4.07Å; E199-K203 WeakPolarHBondContact O-CA 3.28Å; E199-K203 VanDerWaalsContact O-CB 3.29Å; E199-K203 WeakPolarHBondContact O-CB 3.39Å; E199-K203 PolarHBondContact O-N 3.15Å; K203-I205 VanDerWaalsContact C-N 3.34Å; K203-I205 PolarHBondContact O-N 3.06Å; K203-E271 IonicContact NZ-OE2 2.69Å; K203-E271 PolarHBondContact NZ-OE2 3.2Å
204G84.2Confident86.6Confident57 Ų5743.7 Ų43.759%0.58825%0.251SS*.SBendtrans77.64.7172.500000116.3K173 S206K173-G204 PolarHBondContact NZ-O 3.33Å; G204-S206 PolarHBondContact O-N 2.89Å
205I90.8Very high87.8Confident16 Ų1648.2 Ų48.28%0.08227%0.271CS..  trans-70.4128.1176.6-60.9174.3000110.7V166 V169 I170 L201 K203 W207 V210V166-I205 HydrophobicContact CG1-CD1 4.07Å; V169-I205 HydrophobicContact CG1-CG2 4.15Å; I170-I205 HydrophobicContact CD1-CD1 4.07Å; I170-I205 HydrophobicContact CD1-CG1 4.49Å; I170-I205 HydrophobicContact CG1-CD1 4.35Å; I170-I205 HydrophobicContact CG1-CG1 4.24Å; L201-I205 VanDerWaalsContact O-CD1 3.26Å; L201-I205 WeakPolarHBondContact O-CD1 3.02Å; K203-I205 VanDerWaalsContact C-N 3.34Å; K203-I205 PolarHBondContact O-N 3.06Å; I205-W207 HydrophobicContact CB-CZ2 4.02Å; I205-W207 HydrophobicContact CD1-CH2 4.25Å; I205-W207 HydrophobicContact CD1-CZ2 3.96Å; I205-W207 HydrophobicContact CG2-CD2 4.02Å; I205-W207 HydrophobicContact CG2-CE3 4.28Å; I205-W207 HydrophobicContact CG2-CH2 4.08Å; I205-W207 HydrophobicContact CG2-CZ2 3.86Å; I205-W207 HydrophobicContact CG2-CZ3 4.3Å; I205-W207 PolarHBondContact O-N 3.39Å; I205-W207 VanDerWaalsContact O-N 3.15Å; I205-V210 HydrophobicContact CG2-CG2 3.92Å
206S91.4Very high88.7Confident43 Ų4345.7 Ų45.730%0.30125%0.252SS..  trans-80.190.6173.9-176.80000110.1G204 V208 E209 V210G204-S206 PolarHBondContact O-N 2.89Å; S206-V208 PolarHBondContact O-N 3.43Å; S206-E209 WeakPolarHBondContact O-CB 3.42Å; S206-E209 PolarHBondContact O-N 3.01Å; S206-V210 PolarHBondContact O-N 3.43Å
207W92.4Very high89.2Confident28 Ų2845.7 Ų45.711%0.10625%0.252CS..Hα-helixtrans-64.9-23-177.5-65.6102.5000114.1V166 I205 V210 E211 W219 C222 K223 W226V166-W207 HydrophobicContact CG2-CH2 4.25Å; V166-W207 HydrophobicContact CG2-CZ3 4.01Å; I205-W207 HydrophobicContact CB-CZ2 4.02Å; I205-W207 HydrophobicContact CD1-CH2 4.25Å; I205-W207 HydrophobicContact CD1-CZ2 3.96Å; I205-W207 HydrophobicContact CG2-CD2 4.02Å; I205-W207 HydrophobicContact CG2-CE3 4.28Å; I205-W207 HydrophobicContact CG2-CH2 4.08Å; I205-W207 HydrophobicContact CG2-CZ2 3.86Å; I205-W207 HydrophobicContact CG2-CZ3 4.3Å; I205-W207 PolarHBondContact O-N 3.39Å; I205-W207 VanDerWaalsContact O-N 3.15Å; W207-V210 HydrophobicContact CE3-CB 4.17Å; W207-V210 HydrophobicContact CE3-CG1 4.2Å; W207-V210 HydrophobicContact CE3-CG2 4.22Å; W207-V210 HydrophobicContact CZ3-CG1 4.23Å; W207-V210 HydrophobicContact CZ3-CG2 4.42Å; W207-E211 WeakPolarHBondContact O-CB 3.08Å; W207-E211 PolarHBondContact O-N 2.83Å; W207-W219 HydrophobicContact CB-CB 3.85Å; W207-W219 HydrophobicContact CB-CE3 4.13Å; W207-W219 VanDerWaalsContact O-CB 3.29Å; W207-W219 WeakPolarHBondContact O-CB 3.41Å; W207-C222 HydrophobicContact CE3-CB 4.04Å; W207-C222 HydrophobicContact CZ3-CB 4.25Å; W207-K223 HydrophobicContact CD2-CB 3.62Å; W207-K223 HydrophobicContact CD2-CD 4.48Å; W207-K223 HydrophobicContact CD2-CG 4.04Å; W207-K223 HydrophobicContact CE3-CB 3.88Å; W207-K223 HydrophobicContact CG-CB 4.1Å; W207-K223 HydrophobicContact CG-CD 4.43Å; W207-K223 HydrophobicContact CG-CG 4.47Å; W207-K223 HydrophobicContact CH2-CB 4.37Å; W207-K223 HydrophobicContact CZ2-CB 4.1Å; W207-K223 HydrophobicContact CZ2-CG 3.86Å; W207-K223 HydrophobicContact CZ3-CB 4.25Å; W207-W226 HydrophobicContact CH2-CB 3.51Å; W207-W226 AromaticContact CH2-CD1 3.47Å; W207-W226 VanDerWaalsContact CH2-CD1 3.47Å; W207-W226 AromaticContact CH2-CG 3.59Å; W207-W226 HydrophobicContact CH2-CG 3.59Å; W207-W226 AromaticContact CZ2-CD1 3.99Å; W207-W226 HydrophobicContact CZ3-CB 3.96Å; W207-W226 HydrophobicContact CZ3-CG 4.38Å
208V89.3Confident89.3Confident101 Ų10143.8 Ų43.861%0.61224%0.239SC*.Hα-helixtrans-69.4-38.4173179.80000110.8S206 E211 A212S206-V208 PolarHBondContact O-N 3.43Å; V208-E211 PolarHBondContact O-N 2.84Å; V208-A212 PolarHBondContact O-N 3.29Å
209E91.1Very high89.5Confident49 Ų4947.3 Ų47.323%0.22925%0.252CS..Hα-helixtrans-69.3-40.1174.5-173.4172.7-173.700111.3V169 K172 S206 A212 K213V169-E209 HydrophobicContact CG2-CB 4.19Å; V169-E209 HydrophobicContact CG2-CG 3.8Å; K172-E209 IonicContact NZ-OE1 2.65Å; K172-E209 PolarHBondContact NZ-OE1 3.43Å; S206-E209 WeakPolarHBondContact O-CB 3.42Å; S206-E209 PolarHBondContact O-N 3.01Å; E209-A212 PolarHBondContact O-N 2.9Å; E209-K213 PolarHBondContact O-N 3.14Å; E209-K213 VanDerWaalsContact O-N 3.16Å
210V93.4Very high89.6Confident0 Ų048.3 Ų48.30%026%0.258CS..Hα-helixtrans-60.7-46.4173177.10000110.8L162 A165 V166 V169 I205 S206 W207 A212 K213 V214 C222L162-V210 HydrophobicContact CD1-CG1 3.65Å; A165-V210 HydrophobicContact CB-CG1 4.12Å; V166-V210 HydrophobicContact CG2-CG1 4.01Å; V166-V210 HydrophobicContact CG2-CG2 4.1Å; V169-V210 HydrophobicContact CB-CG2 4.33Å; V169-V210 HydrophobicContact CG2-CG2 3.92Å; I205-V210 HydrophobicContact CG2-CG2 3.92Å; S206-V210 PolarHBondContact O-N 3.43Å; W207-V210 HydrophobicContact CE3-CB 4.17Å; W207-V210 HydrophobicContact CE3-CG1 4.2Å; W207-V210 HydrophobicContact CE3-CG2 4.22Å; W207-V210 HydrophobicContact CZ3-CG1 4.23Å; W207-V210 HydrophobicContact CZ3-CG2 4.42Å; V210-A212 VanDerWaalsContact C-N 3.32Å; V210-A212 PolarHBondContact O-N 3.32Å; V210-K213 PolarHBondContact O-N 3.06Å; V210-K213 VanDerWaalsContact O-N 3.17Å; V210-V214 HydrophobicContact CG1-CG2 4.13Å; V210-V214 WeakPolarHBondContact O-CG2 3.43Å; V210-V214 PolarHBondContact O-N 2.98Å; V210-C222 HydrophobicContact CG1-CB 4.04Å
211E92Very high89.8Confident19 Ų1947.2 Ų47.29%0.08925%0.254CS..Hα-helixtrans-56.5-45.4175.3165.9169.4-169.500111.9R149 W207 V208 K213 V214 Q215 W219R149-E211 IonicContact CZ-OE1 3.65Å; R149-E211 IonicContact NE-OE1 3.65Å; R149-E211 PolarHBondContact NE-OE1 3.07Å; R149-E211 IonicContact NH2-OE1 2.82Å; R149-E211 PolarHBondContact NH2-OE1 3.27Å; W207-E211 WeakPolarHBondContact O-CB 3.08Å; W207-E211 PolarHBondContact O-N 2.83Å; V208-E211 PolarHBondContact O-N 2.84Å; E211-K213 PolarHBondContact O-N 2.87Å; E211-V214 PolarHBondContact O-N 3.22Å; E211-Q215 PolarHBondContact O-N 3.06Å; E211-W219 HydrophobicContact CB-CB 4.01Å; E211-W219 WeakPolarHBondContact OE2-CB 3.48Å; E211-W219 VanDerWaalsContact OE2-CD1 3.29Å; E211-W219 PolarHBondContact OE2-N 3.33Å
212A90.5Very high90Very high65 Ų6547.2 Ų47.254%0.53725%0.254SS..Hα-helixtrans-61.5-32.1179.800000112.8V208 E209 V210 Q215V208-A212 PolarHBondContact O-N 3.29Å; E209-A212 PolarHBondContact O-N 2.9Å; V210-A212 VanDerWaalsContact C-N 3.32Å; V210-A212 PolarHBondContact O-N 3.32Å; A212-Q215 WeakPolarHBondContact O-CG 3.14Å
213K92Very high90.3Very high86 Ų8650.1 Ų50.137%0.37427%0.267SS..Hα-helixtrans-79.6-39.4175.7-70.7174.8177.1-76.60112.9A165 E168 V169 E209 V210 E211A165-K213 HydrophobicContact CB-CB 3.68Å; A165-K213 HydrophobicContact CB-CD 4.03Å; E168-K213 WeakPolarHBondContact OE2-CE 3.15Å; E168-K213 IonicContact OE2-NZ 3.91Å; E168-K213 PolarHBondContact OE2-NZ 3.33Å; V169-K213 HydrophobicContact CG2-CD 4.49Å; E209-K213 PolarHBondContact O-N 3.14Å; E209-K213 VanDerWaalsContact O-N 3.16Å; V210-K213 PolarHBondContact O-N 3.06Å; V210-K213 VanDerWaalsContact O-N 3.17Å; E211-K213 PolarHBondContact O-N 2.87Å
214V91.9Very high90.4Very high1 Ų148.9 Ų48.91%0.00627%0.272CS..Hα-helixtrans-73.6-38-179.3173.40000111.7W154 L162 A165 V210 E211 T216 R217W154-V214 HydrophobicContact CZ3-CG1 4.43Å; L162-V214 HydrophobicContact CB-CG2 4.2Å; L162-V214 HydrophobicContact CD1-CG2 4.09Å; A165-V214 HydrophobicContact CB-CG2 4Å; V210-V214 HydrophobicContact CG1-CG2 4.13Å; V210-V214 WeakPolarHBondContact O-CG2 3.43Å; V210-V214 PolarHBondContact O-N 2.98Å; E211-V214 PolarHBondContact O-N 3.22Å; V214-T216 PolarHBondContact O-N 3.31Å; V214-R217 HydrophobicContact CG1-CB 4.26Å
215Q89.1Confident90.9Very high128 Ų12847.1 Ų47.160%0.59825%0.248SC*.  trans61.7-28.4177-57.7176.6-1100116.4R149 E211 A212R149-Q215 PolarHBondContact NH1-O 3.12Å; E211-Q215 PolarHBondContact O-N 3.06Å; A212-Q215 WeakPolarHBondContact O-CG 3.14Å
216T89.2Confident91.1Very high35 Ų3546.4 Ų46.422%0.21525%0.245CC..SBendtrans-88-19.7-176.264.10000113.4R149 N150 E158 V214R149-T216 WeakPolarHBondContact CA-O 3.29Å; N150-T216 PolarHBondContact N-O 2.94Å; E158-T216 HydrophobicContact CG-CG2 4.45Å; E158-T216 WeakPolarHBondContact CG-OG1 3.48Å; E158-T216 VanDerWaalsContact OE1-CB 3.28Å; E158-T216 WeakPolarHBondContact OE1-CB 3.4Å; E158-T216 PolarHBondContact OE1-OG1 3.4Å; V214-T216 PolarHBondContact O-N 3.31Å
217R88.7Confident91.1Very high5 Ų545.5 Ų45.52%0.01924%0.238CC..SBendtrans-131.4154.5-175.1-60.5-65.5178.6146.49.1111.1N150 G152 A153 W154 E158 V214 Q221N150-R217 WeakPolarHBondContact O-CD 3.23Å; N150-R217 PolarHBondContact O-NH1 2.82Å; G152-R217 PolarHBondContact O-NH1 2.95Å; G152-R217 PolarHBondContact O-NH2 2.9Å; A153-R217 PolarHBondContact O-NH2 3.12Å; W154-R217 HydrophobicContact CE3-CG 4.44Å; W154-R217 HydrophobicContact CH2-CB 3.8Å; W154-R217 HydrophobicContact CH2-CG 3.57Å; W154-R217 HydrophobicContact CZ2-CB 4Å; W154-R217 HydrophobicContact CZ2-CG 3.68Å; W154-R217 HydrophobicContact CZ3-CG 3.97Å; E158-R217 IonicContact OE1-CZ 3.49Å; E158-R217 IonicContact OE1-NE 2.71Å; E158-R217 PolarHBondContact OE1-NE 3.36Å; E158-R217 IonicContact OE1-NH2 2.94Å; E158-R217 PolarHBondContact OE1-NH2 3.46Å; E158-R217 IonicContact OE2-CZ 3.05Å; E158-R217 IonicContact OE2-NE 3.85Å; E158-R217 IonicContact OE2-NH2 3.65Å; E158-R217 PolarHBondContact OE2-NH2 3.18Å; V214-R217 HydrophobicContact CG1-CB 4.26Å; R217-Q221 HydrophobicContact CB-CB 4.06Å
218N88.6Confident91.1Very high21 Ų2149.5 Ų49.511%0.11226%0.258CS..  trans-80.2165.2174.770.236.5000112.2M220 Q221 C222N218-M220 VanDerWaalsContact C-N 3.26Å; N218-M220 PolarHBondContact O-N 3.38Å; N218-M220 PolarHBondContact OD1-N 3.09Å; N218-M220 VanDerWaalsContact OD1-N 3.16Å; N218-Q221 WeakPolarHBondContact O-CB 3.34Å; N218-Q221 PolarHBondContact O-N 2.94Å; N218-Q221 VanDerWaalsContact O-N 3.17Å; N218-Q221 WeakPolarHBondContact OD1-CB 3.26Å; N218-Q221 VanDerWaalsContact OD1-CG 3.28Å; N218-Q221 WeakPolarHBondContact OD1-CG 3.47Å; N218-Q221 PolarHBondContact OD1-N 3.24Å; N218-C222 PolarHBondContact O-N 3.12Å; N218-C222 PolarHBondContact O-SG 2.6Å
219W89.1Confident91.2Very high75 Ų7545.4 Ų45.428%0.28423%0.232SC..Hα-helixtrans-58.1-33.5-177.569.8-95.7000113.8W207 E211 C222 K223W207-W219 HydrophobicContact CB-CB 3.85Å; W207-W219 HydrophobicContact CB-CE3 4.13Å; W207-W219 VanDerWaalsContact O-CB 3.29Å; W207-W219 WeakPolarHBondContact O-CB 3.41Å; E211-W219 HydrophobicContact CB-CB 4.01Å; E211-W219 WeakPolarHBondContact OE2-CB 3.48Å; E211-W219 VanDerWaalsContact OE2-CD1 3.29Å; E211-W219 PolarHBondContact OE2-N 3.33Å; W219-C222 PolarHBondContact O-N 2.97Å; W219-K223 WeakPolarHBondContact O-CB 3.46Å; W219-K223 PolarHBondContact O-N 3.39Å
220M88Confident91.2Very high71 Ų7143.1 Ų43.135%0.3522%0.221SC..Hα-helixtrans-69.7-43.5177.9-69-178-7200111.6Q144 N218 C222 K223 S224Q144-M220 HydrophobicContact CG-CE 3.65Å; N218-M220 VanDerWaalsContact C-N 3.26Å; N218-M220 PolarHBondContact O-N 3.38Å; N218-M220 PolarHBondContact OD1-N 3.09Å; N218-M220 VanDerWaalsContact OD1-N 3.16Å; M220-C222 VanDerWaalsContact C-N 3.33Å; M220-K223 PolarHBondContact O-N 3.21Å; M220-S224 WeakPolarHBondContact O-CB 3.42Å; M220-S224 PolarHBondContact O-N 3.34Å
221Q90.2Very high91Very high45 Ų4543.7 Ų43.721%0.2123%0.225CC..Hα-helixtrans-61-45.5174.5-71.7171.7-52.500110N150 W154 R217 N218 S224 K225N150-Q221 PolarHBondContact O-NE2 3.08Å; W154-Q221 HydrophobicContact CZ2-CB 4.11Å; R217-Q221 HydrophobicContact CB-CB 4.06Å; N218-Q221 WeakPolarHBondContact O-CB 3.34Å; N218-Q221 PolarHBondContact O-N 2.94Å; N218-Q221 VanDerWaalsContact O-N 3.17Å; N218-Q221 WeakPolarHBondContact OD1-CB 3.26Å; N218-Q221 VanDerWaalsContact OD1-CG 3.28Å; N218-Q221 WeakPolarHBondContact OD1-CG 3.47Å; N218-Q221 PolarHBondContact OD1-N 3.24Å; Q221-S224 PolarHBondContact O-N 2.72Å; Q221-K225 WeakPolarHBondContact O-CB 3.2Å; Q221-K225 PolarHBondContact O-N 2.92Å
222C93.3Very high90.9Very high0 Ų046.7 Ų46.70%024%0.238CC..Hα-helixtrans-59.2-48176.8-63.90000111.6L162 W207 V210 N218 W219 M220 S224 K225 W226L162-C222 HydrophobicContact CD1-CB 3.66Å; W207-C222 HydrophobicContact CE3-CB 4.04Å; W207-C222 HydrophobicContact CZ3-CB 4.25Å; V210-C222 HydrophobicContact CG1-CB 4.04Å; N218-C222 PolarHBondContact O-N 3.12Å; N218-C222 PolarHBondContact O-SG 2.6Å; W219-C222 PolarHBondContact O-N 2.97Å; M220-C222 VanDerWaalsContact C-N 3.33Å; C222-S224 PolarHBondContact O-N 2.9Å; C222-K225 PolarHBondContact O-N 3.18Å; C222-W226 VanDerWaalsContact O-CB 3.3Å; C222-W226 WeakPolarHBondContact O-CB 3.28Å; C222-W226 PolarHBondContact O-N 3.46Å
223K92.8Very high90.8Very high98 Ų9844.1 Ų44.143%0.42621%0.214SC..Hα-helixtrans-60.8-43.9177.8-176.6176.7-179.1-1770112.6W207 W219 M220 T227W207-K223 HydrophobicContact CD2-CB 3.62Å; W207-K223 HydrophobicContact CD2-CD 4.48Å; W207-K223 HydrophobicContact CD2-CG 4.04Å; W207-K223 HydrophobicContact CE3-CB 3.88Å; W207-K223 HydrophobicContact CG-CB 4.1Å; W207-K223 HydrophobicContact CG-CD 4.43Å; W207-K223 HydrophobicContact CG-CG 4.47Å; W207-K223 HydrophobicContact CH2-CB 4.37Å; W207-K223 HydrophobicContact CZ2-CB 4.1Å; W207-K223 HydrophobicContact CZ2-CG 3.86Å; W207-K223 HydrophobicContact CZ3-CB 4.25Å; W219-K223 WeakPolarHBondContact O-CB 3.46Å; W219-K223 PolarHBondContact O-N 3.39Å; M220-K223 PolarHBondContact O-N 3.21Å; K223-T227 PolarHBondContact O-N 2.91Å; K223-T227 PolarHBondContact O-OG1 3.07Å
224S91.4Very high90.6Very high83 Ų8340 Ų4058%0.5820%0.196SC*.Hα-helixtrans-64.3-49.6179.1-169.60000111.1M220 Q221 C222 W226 T227 E228M220-S224 WeakPolarHBondContact O-CB 3.42Å; M220-S224 PolarHBondContact O-N 3.34Å; Q221-S224 PolarHBondContact O-N 2.72Å; C222-S224 PolarHBondContact O-N 2.9Å; S224-W226 PolarHBondContact O-N 3Å; S224-T227 WeakPolarHBondContact O-CB 3.43Å; S224-T227 PolarHBondContact O-N 2.9Å; S224-E228 PolarHBondContact O-N 3.42Å
225K94.1Very high90.2Very high20 Ų2040.3 Ų40.39%0.08720%0.198CC..Hα-helixtrans-66.1-37.9-179.7-175.462176.5178.50111.9W154 L162 Q221 C222 T227 E228 I229W154-K225 HydrophobicContact CD2-CB 4.16Å; W154-K225 HydrophobicContact CD2-CD 4.25Å; W154-K225 HydrophobicContact CD2-CG 3.7Å; W154-K225 HydrophobicContact CE3-CG 4.14Å; W154-K225 HydrophobicContact CG-CD 4.01Å; W154-K225 HydrophobicContact CG-CG 4.01Å; W154-K225 HydrophobicContact CH2-CB 4.2Å; W154-K225 HydrophobicContact CH2-CG 4.46Å; W154-K225 HydrophobicContact CZ2-CB 3.56Å; W154-K225 HydrophobicContact CZ2-CG 4.03Å; L162-K225 HydrophobicContact CD2-CB 3.77Å; L162-K225 HydrophobicContact CD2-CG 3.74Å; Q221-K225 WeakPolarHBondContact O-CB 3.2Å; Q221-K225 PolarHBondContact O-N 2.92Å; C222-K225 PolarHBondContact O-N 3.18Å; K225-T227 VanDerWaalsContact C-N 3.34Å; K225-T227 PolarHBondContact O-N 2.76Å; K225-E228 WeakPolarHBondContact CD-OE2 3.31Å; K225-E228 IonicContact NZ-OE1 3.69Å; K225-E228 PolarHBondContact NZ-OE1 2.8Å; K225-E228 IonicContact NZ-OE2 3.6Å; K225-E228 WeakPolarHBondContact O-CB 3.42Å; K225-E228 PolarHBondContact O-N 3.2Å; K225-I229 HydrophobicContact CD-CD1 4.44Å; K225-I229 HydrophobicContact CG-CD1 3.92Å; K225-I229 HydrophobicContact CG-CG1 4.44Å; K225-I229 VanDerWaalsContact O-CG1 3.31Å; K225-I229 WeakPolarHBondContact O-CG1 3.48Å; K225-I229 PolarHBondContact O-N 3.17Å
226W94.9Very high89.9Confident1 Ų137.6 Ų37.60%0.00419%0.187CC..Hα-helixtrans-62-41.4173.6178-107.8000112.1L162 I163 V166 L201 W207 C222 S224 E228 I229 L230 I350 F351L162-W226 HydrophobicContact CD2-CB 4.49Å; I163-W226 HydrophobicContact CG1-CZ3 4.32Å; V166-W226 HydrophobicContact CB-CD2 4.35Å; V166-W226 HydrophobicContact CB-CE3 4.19Å; V166-W226 HydrophobicContact CB-CH2 4.45Å; V166-W226 HydrophobicContact CB-CZ3 4.25Å; V166-W226 HydrophobicContact CG1-CD2 3.92Å; V166-W226 HydrophobicContact CG1-CE3 4.15Å; V166-W226 HydrophobicContact CG1-CH2 3.9Å; V166-W226 HydrophobicContact CG1-CZ2 3.64Å; V166-W226 HydrophobicContact CG1-CZ3 4.14Å; V166-W226 HydrophobicContact CG2-CD2 4.1Å; V166-W226 HydrophobicContact CG2-CE3 4.09Å; V166-W226 HydrophobicContact CG2-CG 4.37Å; L201-W226 PolarHBondContact O-NE1 3.18Å; W207-W226 HydrophobicContact CH2-CB 3.51Å; W207-W226 AromaticContact CH2-CD1 3.47Å; W207-W226 VanDerWaalsContact CH2-CD1 3.47Å; W207-W226 AromaticContact CH2-CG 3.59Å; W207-W226 HydrophobicContact CH2-CG 3.59Å; W207-W226 AromaticContact CZ2-CD1 3.99Å; W207-W226 HydrophobicContact CZ3-CB 3.96Å; W207-W226 HydrophobicContact CZ3-CG 4.38Å; C222-W226 VanDerWaalsContact O-CB 3.3Å; C222-W226 WeakPolarHBondContact O-CB 3.28Å; C222-W226 PolarHBondContact O-N 3.46Å; S224-W226 PolarHBondContact O-N 3Å; W226-E228 VanDerWaalsContact C-N 3.28Å; W226-E228 PolarHBondContact O-N 3.24Å; W226-I229 HydrophobicContact CE3-CG2 4.49Å; W226-I229 HydrophobicContact CZ3-CG2 4.41Å; W226-I229 PolarHBondContact O-N 3.2Å; W226-L230 HydrophobicContact CZ2-CD1 4.35Å; W226-L230 WeakPolarHBondContact O-CB 3.44Å; W226-L230 PolarHBondContact O-N 3.34Å; W226-I350 HydrophobicContact CH2-CG2 4.08Å; W226-I350 HydrophobicContact CZ2-CG2 4.34Å; W226-F351 HydrophobicContact CH2-CD1 4.17Å; W226-F351 AromaticContact CH2-CE1 3.54Å; W226-F351 HydrophobicContact CH2-CE1 3.54Å; W226-F351 HydrophobicContact CH2-CZ 4.03Å; W226-F351 HydrophobicContact CZ2-CE1 4.27Å; W226-F351 HydrophobicContact CZ2-CZ 4.39Å; W226-F351 HydrophobicContact CZ3-CE1 4.3Å
227T92.1Very high89.4Confident25 Ų2537.8 Ų37.815%0.15320%0.196CC..Hα-helixtrans-60.1-40.3177-58.30000111.5K223 S224 K225 T231 S283K223-T227 PolarHBondContact O-N 2.91Å; K223-T227 PolarHBondContact O-OG1 3.07Å; S224-T227 WeakPolarHBondContact O-CB 3.43Å; S224-T227 PolarHBondContact O-N 2.9Å; K225-T227 VanDerWaalsContact C-N 3.34Å; K225-T227 PolarHBondContact O-N 2.76Å; T227-T231 WeakPolarHBondContact O-CB 3.32Å; T227-T231 PolarHBondContact O-N 2.67Å; T227-T231 PolarHBondContact O-OG1 3.22Å; T227-S283 WeakPolarHBondContact CG2-OG 3.21Å
228E90.9Very high89Confident112 Ų11244.8 Ų44.852%0.52322%0.223SC..Hα-helixtrans-63.1-52.9175-175.9-162131.200111.7S224 K225 W226 L230 T231 K232S224-E228 PolarHBondContact O-N 3.42Å; K225-E228 WeakPolarHBondContact CD-OE2 3.31Å; K225-E228 IonicContact NZ-OE1 3.69Å; K225-E228 PolarHBondContact NZ-OE1 2.8Å; K225-E228 IonicContact NZ-OE2 3.6Å; K225-E228 WeakPolarHBondContact O-CB 3.42Å; K225-E228 PolarHBondContact O-N 3.2Å; W226-E228 VanDerWaalsContact C-N 3.28Å; W226-E228 PolarHBondContact O-N 3.24Å; E228-L230 VanDerWaalsContact C-N 3.35Å; E228-L230 PolarHBondContact O-N 3.45Å; E228-T231 PolarHBondContact O-N 3.32Å; E228-K232 PolarHBondContact O-N 3.06Å
229I91.5Very high88.5Confident15 Ų1551.5 Ų51.58%0.07725%0.246CC..Hα-helixtrans-57.3-49.6178.1-67.8165.4000110.5T159 L162 I163 K225 W226 T231 K232 R233T159-I229 HydrophobicContact CG2-CD1 3.82Å; L162-I229 HydrophobicContact CD2-CD1 4.11Å; I163-I229 HydrophobicContact CG1-CD1 4.28Å; K225-I229 HydrophobicContact CD-CD1 4.44Å; K225-I229 HydrophobicContact CG-CD1 3.92Å; K225-I229 HydrophobicContact CG-CG1 4.44Å; K225-I229 VanDerWaalsContact O-CG1 3.31Å; K225-I229 WeakPolarHBondContact O-CG1 3.48Å; K225-I229 PolarHBondContact O-N 3.17Å; W226-I229 HydrophobicContact CE3-CG2 4.49Å; W226-I229 HydrophobicContact CZ3-CG2 4.41Å; W226-I229 PolarHBondContact O-N 3.2Å; I229-T231 VanDerWaalsContact C-N 3.33Å; I229-T231 PolarHBondContact O-N 3.15Å; I229-K232 WeakPolarHBondContact O-CB 3.19Å; I229-K232 PolarHBondContact O-N 3.05Å; I229-K232 VanDerWaalsContact O-N 3.17Å; I229-R233 HydrophobicContact CG2-CG 4.38Å; I229-R233 WeakPolarHBondContact O-CG 3.43Å; I229-R233 PolarHBondContact O-N 3.09Å
230L91.8Very high88Confident1 Ų149.6 Ų49.61%0.00524%0.241CC..Hα-helixtrans-61.3-42.3-178.5179.162.2000111.1L201 Y202 W226 E228 K232 R233 M234 P281 I350L201-L230 HydrophobicContact CB-CD1 3.97Å; L201-L230 HydrophobicContact CB-CD2 3.89Å; L201-L230 HydrophobicContact CD1-CD1 3.79Å; L201-L230 HydrophobicContact CG-CD1 4.36Å; Y202-L230 HydrophobicContact CD1-CD2 3.98Å; W226-L230 HydrophobicContact CZ2-CD1 4.35Å; W226-L230 WeakPolarHBondContact O-CB 3.44Å; W226-L230 PolarHBondContact O-N 3.34Å; E228-L230 VanDerWaalsContact C-N 3.35Å; E228-L230 PolarHBondContact O-N 3.45Å; L230-K232 VanDerWaalsContact C-N 3.35Å; L230-K232 PolarHBondContact O-N 2.97Å; L230-R233 PolarHBondContact O-N 3.24Å; L230-M234 HydrophobicContact CD1-CG 3.77Å; L230-M234 HydrophobicContact CD1-SD 3.75Å; L230-M234 HydrophobicContact CD2-SD 4.13Å; L230-M234 HydrophobicContact CG-CG 4.13Å; L230-M234 HydrophobicContact CG-SD 3.62Å; L230-M234 WeakPolarHBondContact O-CB 3.32Å; L230-M234 VanDerWaalsContact O-CG 3.24Å; L230-M234 WeakPolarHBondContact O-CG 3.38Å; L230-M234 PolarHBondContact O-N 3.17Å; L230-P281 HydrophobicContact CB-CG 4.47Å; L230-P281 HydrophobicContact CD2-CB 4.45Å; L230-P281 HydrophobicContact CD2-CG 3.73Å; L230-P281 HydrophobicContact CG-CG 3.92Å; L230-I350 HydrophobicContact CD1-CD1 4.23Å; L230-I350 HydrophobicContact CD1-CG2 4.22Å
231T89.7Confident87.7Confident11 Ų1147.8 Ų47.87%0.06723%0.231CC..Hα-helixtrans-61-44.3175.7-55.80000111.2T227 E228 I229 R233 T235 V280 P281 Y284T227-T231 WeakPolarHBondContact O-CB 3.32Å; T227-T231 PolarHBondContact O-N 2.67Å; T227-T231 PolarHBondContact O-OG1 3.22Å; E228-T231 PolarHBondContact O-N 3.32Å; I229-T231 VanDerWaalsContact C-N 3.33Å; I229-T231 PolarHBondContact O-N 3.15Å; T231-R233 VanDerWaalsContact C-N 3.34Å; T231-R233 PolarHBondContact O-N 3.36Å; T231-T235 WeakPolarHBondContact O-CB 3.41Å; T231-T235 VanDerWaalsContact O-CG2 3.28Å; T231-T235 WeakPolarHBondContact O-CG2 3.43Å; T231-T235 PolarHBondContact O-N 2.68Å; T231-T235 PolarHBondContact O-OG1 3.35Å; T231-V280 HydrophobicContact CG2-CG1 4.16Å; T231-P281 WeakPolarHBondContact OG1-CD 3.06Å; T231-Y284 HydrophobicContact CG2-CD2 3.74Å; T231-Y284 HydrophobicContact CG2-CE2 3.79Å; T231-Y284 HydrophobicContact CG2-CG 4.21Å
232K88.5Confident87.3Confident83 Ų8353.5 Ų53.536%0.36125%0.252SS..Hα-helixtrans-60.6-44176.2-170.1-176.7-179.9-169.80111E228 I229 L230 T235 N236 G237 S357E228-K232 PolarHBondContact O-N 3.06Å; I229-K232 WeakPolarHBondContact O-CB 3.19Å; I229-K232 PolarHBondContact O-N 3.05Å; I229-K232 VanDerWaalsContact O-N 3.17Å; L230-K232 VanDerWaalsContact C-N 3.35Å; L230-K232 PolarHBondContact O-N 2.97Å; K232-T235 PolarHBondContact O-OG1 2.94Å; K232-N236 PolarHBondContact O-N 3.05Å; K232-G237 PolarHBondContact O-N 2.93Å; K232-S357 PolarHBondContact NZ-O 2.69Å
233R88.8Confident86.9Confident11 Ų1154.8 Ų54.84%0.04227%0.265CS..Hα-helixtrans-71.6-43.1-177.6-67.5-177.5-178.9-173-10.2112.7I229 L230 T231 T235 N236 I350 F351 Y353 D356I229-R233 HydrophobicContact CG2-CG 4.38Å; I229-R233 WeakPolarHBondContact O-CG 3.43Å; I229-R233 PolarHBondContact O-N 3.09Å; L230-R233 PolarHBondContact O-N 3.24Å; T231-R233 VanDerWaalsContact C-N 3.34Å; T231-R233 PolarHBondContact O-N 3.36Å; R233-T235 PolarHBondContact O-N 3.34Å; R233-N236 PolarHBondContact O-N 3.09Å; R233-N236 PolarHBondContact O-OD1 3.32Å; R233-I350 HydrophobicContact CB-CD1 4.04Å; R233-I350 WeakPolarHBondContact CD-O 3.28Å; R233-I350 PolarHBondContact NH1-O 2.68Å; R233-F351 PolarHBondContact NH1-O 3.5Å; R233-Y353 HydrophobicContact CG-CG 4.48Å; R233-D356 IonicContact NH2-OD1 3.91Å
234M87.7Confident86.4Confident0 Ų051.2 Ų51.20%025%0.25CS..Hα-helixtrans-63.8-30.4177-69.5174.873.800112.9R198 L230 D279 P281 F345 I350R198-M234 HydrophobicContact CG-CE 3.98Å; L230-M234 HydrophobicContact CD1-CG 3.77Å; L230-M234 HydrophobicContact CD1-SD 3.75Å; L230-M234 HydrophobicContact CD2-SD 4.13Å; L230-M234 HydrophobicContact CG-CG 4.13Å; L230-M234 HydrophobicContact CG-SD 3.62Å; L230-M234 WeakPolarHBondContact O-CB 3.32Å; L230-M234 VanDerWaalsContact O-CG 3.24Å; L230-M234 WeakPolarHBondContact O-CG 3.38Å; L230-M234 PolarHBondContact O-N 3.17Å; M234-D279 HydrophobicContact CB-CB 4.36Å; M234-D279 WeakPolarHBondContact CB-O 3.26Å; M234-D279 WeakPolarHBondContact O-CB 3.22Å; M234-P281 HydrophobicContact SD-CG 3.83Å; M234-F345 HydrophobicContact CB-CE1 3.85Å; M234-F345 HydrophobicContact CB-CZ 4.02Å; M234-F345 HydrophobicContact CE-CE1 4.44Å; M234-F345 HydrophobicContact CE-CE2 3.64Å; M234-F345 HydrophobicContact CE-CZ 3.5Å; M234-F345 VanDerWaalsContact CE-CZ 3.5Å; M234-F345 HydrophobicContact CG-CD1 4.35Å; M234-F345 HydrophobicContact CG-CE1 3.84Å; M234-F345 HydrophobicContact CG-CE2 4.34Å; M234-F345 HydrophobicContact CG-CZ 3.83Å; M234-I350 HydrophobicContact CG-CD1 4.26Å
235T84.8Confident86Confident7 Ų750.6 Ų50.64%0.04324%0.241CC..THydrogen-bonded Turntrans-90.90.1179.957.90000113.8T231 K232 R233 G237 R238 I240 D279 V280T231-T235 WeakPolarHBondContact O-CB 3.41Å; T231-T235 VanDerWaalsContact O-CG2 3.28Å; T231-T235 WeakPolarHBondContact O-CG2 3.43Å; T231-T235 PolarHBondContact O-N 2.68Å; T231-T235 PolarHBondContact O-OG1 3.35Å; K232-T235 PolarHBondContact O-OG1 2.94Å; R233-T235 PolarHBondContact O-N 3.34Å; T235-G237 PolarHBondContact O-N 2.88Å; T235-R238 VanDerWaalsContact O-CB 3.3Å; T235-R238 WeakPolarHBondContact O-CB 3.32Å; T235-R238 WeakPolarHBondContact O-CG 3.19Å; T235-R238 PolarHBondContact O-N 3.46Å; T235-R238 PolarHBondContact O-NE 3.49Å; T235-R238 VanDerWaalsContact O-NE 3.16Å; T235-I240 HydrophobicContact CG2-CD1 3.63Å; T235-I240 HydrophobicContact CG2-CG1 3.96Å; T235-I240 HydrophobicContact CG2-CG2 3.79Å; T235-D279 WeakPolarHBondContact CG2-O 3.49Å; T235-V280 HydrophobicContact CG2-CG1 4.37Å
236N82.6Confident85.7Confident70 Ų7049.9 Ų49.937%0.37424%0.239SC..THydrogen-bonded Turntrans53.440.6-170-57.8-10.4000112.3K232 R233 R238K232-N236 PolarHBondContact O-N 3.05Å; R233-N236 PolarHBondContact O-N 3.09Å; R233-N236 PolarHBondContact O-OD1 3.32Å; N236-R238 PolarHBondContact O-N 3.49Å
237G78.6Confident85.3Confident39 Ų3950.8 Ų50.840%0.40224%0.243SC..THydrogen-bonded Turntrans72.24.4-178.800000115.2K232 T235K232-G237 PolarHBondContact O-N 2.93Å; T235-G237 PolarHBondContact O-N 2.88Å
238R79.5Confident85.1Confident152 Ų15251.1 Ų51.157%0.57424%0.242SC*.  trans-72.2135.5-178.5-69.3-177.1-81.9-173.1-6.2111.7T235 N236 I240T235-R238 VanDerWaalsContact O-CB 3.3Å; T235-R238 WeakPolarHBondContact O-CB 3.32Å; T235-R238 WeakPolarHBondContact O-CG 3.19Å; T235-R238 PolarHBondContact O-N 3.46Å; T235-R238 PolarHBondContact O-NE 3.49Å; T235-R238 VanDerWaalsContact O-NE 3.16Å; N236-R238 PolarHBondContact O-N 3.49Å; R238-I240 VanDerWaalsContact C-N 3.29Å; R238-I240 HydrophobicContact CB-CG2 4.45Å; R238-I240 PolarHBondContact O-N 3.31Å
239R77.5Confident85Confident162 Ų16246 Ų4661%0.61122%0.219SC*.  trans-74.980.3171.2-70.9-175.5171175.2-2.8111D361R239-D361 IonicContact CZ-OD1 2.73Å; R239-D361 IonicContact NE-OD1 2.92Å; R239-D361 IonicContact NH2-OD1 3.83Å; R239-D361 PolarHBondContact NH2-OD1 3.04Å
240I78.9Confident85Confident35 Ų3546.3 Ų46.318%0.17922%0.219CC..  trans-69.8-27.2-179.349.7156.9000114T235 R238 N245 I277 V280 Y284T235-I240 HydrophobicContact CG2-CD1 3.63Å; T235-I240 HydrophobicContact CG2-CG1 3.96Å; T235-I240 HydrophobicContact CG2-CG2 3.79Å; R238-I240 VanDerWaalsContact C-N 3.29Å; R238-I240 HydrophobicContact CB-CG2 4.45Å; R238-I240 PolarHBondContact O-N 3.31Å; I240-N245 VanDerWaalsContact O-CB 3.25Å; I240-N245 WeakPolarHBondContact O-CB 3.2Å; I240-I277 HydrophobicContact CD1-CG2 4.05Å; I240-V280 HydrophobicContact CD1-CB 4.46Å; I240-V280 HydrophobicContact CD1-CG1 2.96Å; I240-V280 HydrophobicContact CG1-CG1 4.46Å; I240-Y284 HydrophobicContact CD1-CE1 4.31Å
241Y81.8Confident85Confident34 Ų3446.7 Ų46.713%0.13322%0.222CC..SBendtrans-116.862.2-177-159.6-88.6000109.8A246 A249 K250 I277 K288Y241-A246 HydrophobicContact CD1-CB 3.93Å; Y241-A246 HydrophobicContact CE1-CB 4.04Å; Y241-A246 HydrophobicContact CG-CB 4.24Å; Y241-A249 HydrophobicContact CD2-CB 3.79Å; Y241-A249 HydrophobicContact CE2-CB 3.69Å; Y241-K250 WeakPolarHBondContact OH-CE 3.38Å; Y241-K250 WeakPolarHBondContact OH-CG 3.48Å; Y241-I277 HydrophobicContact CD2-CG2 4.28Å; Y241-K288 HydrophobicContact CD1-CD 3.99Å; Y241-K288 HydrophobicContact CD2-CG 4.29Å; Y241-K288 HydrophobicContact CE1-CD 3.84Å; Y241-K288 HydrophobicContact CE1-CG 4.44Å; Y241-K288 HydrophobicContact CE2-CB 4.2Å; Y241-K288 HydrophobicContact CE2-CD 4.37Å; Y241-K288 HydrophobicContact CE2-CG 4.09Å; Y241-K288 HydrophobicContact CG-CD 4.33Å
242Y82.9Confident85Confident164 Ų16447.4 Ų47.464%0.64323%0.227SC*.SBendtrans-140.8144.4178.2-177.7-100.3000111.7M244 N245 A246Y242-M244 PolarHBondContact O-N 3.29Å; Y242-N245 PolarHBondContact O-N 3.48Å; Y242-N245 VanDerWaalsContact O-N 3.09Å; Y242-A246 PolarHBondContact O-N 3.22Å
243G84.1Confident85.2Confident28 Ų2843.5 Ų43.529%0.28921%0.21SC..Hα-helixtrans51.5-124.7176.600000113.2N245 A246 L247G243-N245 VanDerWaalsContact C-N 3.29Å; G243-N245 PolarHBondContact O-N 3.16Å; G243-A246 WeakPolarHBondContact O-CB 3.46Å; G243-A246 PolarHBondContact O-N 2.66Å; G243-A246 VanDerWaalsContact O-N 3.17Å; G243-L247 PolarHBondContact O-N 2.87Å
244M82.6Confident85.3Confident22 Ų2243 Ų4311%0.10821%0.208CC..Hα-helixtrans-60.5-36.4-179.3-168.8-171.6-58.600112.7Y242 A246 L247 R248 L324 M328 K331Y242-M244 PolarHBondContact O-N 3.29Å; M244-A246 VanDerWaalsContact C-N 3.34Å; M244-L247 PolarHBondContact O-N 3.13Å; M244-R248 PolarHBondContact O-N 2.83Å; M244-L324 HydrophobicContact CG-CD1 3.59Å; M244-M328 HydrophobicContact CE-CG 4.36Å; M244-M328 HydrophobicContact SD-CG 4.03Å; M244-K331 HydrophobicContact CE-CB 4.17Å; M244-K331 HydrophobicContact CE-CD 4.05Å
245N82.8Confident85.5Confident71 Ų7145.5 Ų45.538%0.3822%0.22SC..Hα-helixtrans-69.4-34.4179-64.9-23.2000111.4I240 Y242 G243 A249I240-N245 VanDerWaalsContact O-CB 3.25Å; I240-N245 WeakPolarHBondContact O-CB 3.2Å; Y242-N245 PolarHBondContact O-N 3.48Å; Y242-N245 VanDerWaalsContact O-N 3.09Å; G243-N245 VanDerWaalsContact C-N 3.29Å; G243-N245 PolarHBondContact O-N 3.16Å; N245-A249 VanDerWaalsContact O-CB 3.26Å; N245-A249 WeakPolarHBondContact O-CB 3.09Å; N245-A249 PolarHBondContact O-N 3.02Å
246A87.1Confident85.8Confident5 Ų549 Ų494%0.04123%0.233CC..Hα-helixtrans-64.7-45.5173.800000111.5Y241 Y242 G243 M244 A249 K250Y241-A246 HydrophobicContact CD1-CB 3.93Å; Y241-A246 HydrophobicContact CE1-CB 4.04Å; Y241-A246 HydrophobicContact CG-CB 4.24Å; Y242-A246 PolarHBondContact O-N 3.22Å; G243-A246 WeakPolarHBondContact O-CB 3.46Å; G243-A246 PolarHBondContact O-N 2.66Å; G243-A246 VanDerWaalsContact O-N 3.17Å; M244-A246 VanDerWaalsContact C-N 3.34Å; A246-A249 PolarHBondContact O-N 3.07Å; A246-K250 VanDerWaalsContact O-CG 3.31Å; A246-K250 WeakPolarHBondContact O-CG 3.32Å; A246-K250 PolarHBondContact O-N 2.79Å
247L88.1Confident86.1Confident20 Ų2045.8 Ų45.811%0.10522%0.215CC..Hα-helixtrans-60.9-46176.8-71176.7000111.3G243 M244 A249 K250 V251 L320 K323 L324 M327G243-L247 PolarHBondContact O-N 2.87Å; M244-L247 PolarHBondContact O-N 3.13Å; L247-A249 PolarHBondContact O-N 3.47Å; L247-K250 PolarHBondContact O-N 3.09Å; L247-V251 WeakPolarHBondContact O-CG2 3.5Å; L247-V251 PolarHBondContact O-N 3Å; L247-L320 HydrophobicContact CD2-CD2 3.86Å; L247-K323 HydrophobicContact CD1-CB 4.16Å; L247-L324 HydrophobicContact CB-CB 4.42Å; L247-L324 HydrophobicContact CB-CD1 4.04Å; L247-M327 HydrophobicContact CD1-CG 4.43Å; L247-M327 HydrophobicContact CD1-SD 3.66Å
248R86.6Confident86.6Confident32 Ų3248 Ų4812%0.12121%0.212CC..Hα-helixtrans-59.7-45.8175.6-172.4-173.9-58.5142.49.3112.2M244 K250 V251 S252 L324 I335 Q336M244-R248 PolarHBondContact O-N 2.83Å; R248-K250 VanDerWaalsContact C-N 3.32Å; R248-K250 PolarHBondContact O-N 2.95Å; R248-V251 PolarHBondContact O-N 3.27Å; R248-S252 WeakPolarHBondContact O-CB 3.35Å; R248-S252 PolarHBondContact O-N 2.81Å; R248-L324 HydrophobicContact CB-CD2 4.45Å; R248-I335 VanDerWaalsContact CZ-CG2 3.41Å; R248-Q336 PolarHBondContact NH1-O 3.31Å
249A88.8Confident87.1Confident5 Ų547.9 Ų47.94%0.04122%0.218CC..Hα-helixtrans-61.4-40.717800000111.6Y241 N245 A246 L247 L253 I277Y241-A249 HydrophobicContact CD2-CB 3.79Å; Y241-A249 HydrophobicContact CE2-CB 3.69Å; N245-A249 VanDerWaalsContact O-CB 3.26Å; N245-A249 WeakPolarHBondContact O-CB 3.09Å; N245-A249 PolarHBondContact O-N 3.02Å; A246-A249 PolarHBondContact O-N 3.07Å; L247-A249 PolarHBondContact O-N 3.47Å; A249-L253 WeakPolarHBondContact O-CB 3.49Å; A249-L253 PolarHBondContact O-N 2.93Å; A249-I277 HydrophobicContact CB-CG1 4.2Å; A249-I277 HydrophobicContact CB-CG2 4.42Å
250K91.7Very high87.5Confident20 Ų2043.3 Ų43.39%0.08721%0.205CC..Hα-helixtrans-61.9-48.4174.2-68.8174.2-177.9177.10111.5Y241 A246 L247 R248 L253 I254 L292 Y296 L320Y241-K250 WeakPolarHBondContact OH-CE 3.38Å; Y241-K250 WeakPolarHBondContact OH-CG 3.48Å; A246-K250 VanDerWaalsContact O-CG 3.31Å; A246-K250 WeakPolarHBondContact O-CG 3.32Å; A246-K250 PolarHBondContact O-N 2.79Å; L247-K250 PolarHBondContact O-N 3.09Å; R248-K250 VanDerWaalsContact C-N 3.32Å; R248-K250 PolarHBondContact O-N 2.95Å; K250-L253 PolarHBondContact O-N 3.36Å; K250-I254 VanDerWaalsContact O-CG1 3.27Å; K250-I254 WeakPolarHBondContact O-CG1 3.35Å; K250-I254 PolarHBondContact O-N 3.12Å; K250-L292 HydrophobicContact CB-CD1 4.19Å; K250-L292 HydrophobicContact CD-CD1 4.06Å; K250-L292 HydrophobicContact CG-CD1 3.97Å; K250-Y296 PolarHBondContact NZ-OH 3.05Å; K250-L320 HydrophobicContact CB-CD1 3.83Å; K250-L320 HydrophobicContact CD-CD1 4.4Å; K250-L320 HydrophobicContact CD-CD2 4.19Å
251V91.8Very high87.6Confident10 Ų1048 Ų486%0.06123%0.23CC..Hα-helixtrans-58.3-54.8178.4168.30000110.6L247 R248 L253 I254 E255 L317 L320 K321L247-V251 WeakPolarHBondContact O-CG2 3.5Å; L247-V251 PolarHBondContact O-N 3Å; R248-V251 PolarHBondContact O-N 3.27Å; V251-L253 VanDerWaalsContact C-N 3.3Å; V251-L253 PolarHBondContact O-N 3.1Å; V251-I254 PolarHBondContact O-N 3.48Å; V251-I254 VanDerWaalsContact O-N 3.16Å; V251-E255 WeakPolarHBondContact O-CG 3.47Å; V251-E255 PolarHBondContact O-N 3.35Å; V251-L317 HydrophobicContact CB-CD1 4.14Å; V251-L317 HydrophobicContact CG1-CD1 3.82Å; V251-L317 HydrophobicContact CG2-CD1 4.23Å; V251-L320 HydrophobicContact CG2-CB 3.75Å; V251-K321 HydrophobicContact CG1-CG 4.08Å; V251-K321 HydrophobicContact CG2-CG 4.16Å
252S90.9Very high87.6Confident25 Ų2547.5 Ų47.518%0.17523%0.231CC..Hα-helixtrans-62.7-36.6-178.4-174.20000112.6R248 R256R248-S252 WeakPolarHBondContact O-CB 3.35Å; R248-S252 PolarHBondContact O-N 2.81Å; S252-R256 WeakPolarHBondContact O-CB 3.39Å; S252-R256 VanDerWaalsContact O-CG 3.32Å; S252-R256 WeakPolarHBondContact O-CG 3.43Å; S252-R256 PolarHBondContact O-N 3.27Å; S252-R256 VanDerWaalsContact O-N 3.08Å
253L91.7Very high87.2Confident1 Ų144.9 Ų44.91%0.00523%0.225CC..Hα-helixtrans-65.5-42.7176.3-177.962.3000111.7A249 K250 V251 L257 L273 V285 F289A249-L253 WeakPolarHBondContact O-CB 3.49Å; A249-L253 PolarHBondContact O-N 2.93Å; K250-L253 PolarHBondContact O-N 3.36Å; V251-L253 VanDerWaalsContact C-N 3.3Å; V251-L253 PolarHBondContact O-N 3.1Å; L253-L257 HydrophobicContact CD1-CD1 3.91Å; L253-L257 HydrophobicContact CD1-CG 4.19Å; L253-L257 HydrophobicContact CG-CD1 3.81Å; L253-L257 HydrophobicContact CG-CG 4.48Å; L253-L257 VanDerWaalsContact O-CB 3.25Å; L253-L257 WeakPolarHBondContact O-CB 3.45Å; L253-L257 WeakPolarHBondContact O-CD1 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.07Å; L253-L257 PolarHBondContact O-N 2.63Å; L253-L273 HydrophobicContact CD1-CB 4.44Å; L253-L273 HydrophobicContact CD1-CD1 4.19Å; L253-L273 HydrophobicContact CD1-CD2 4.44Å; L253-V285 HydrophobicContact CD1-CG1 3.85Å; L253-F289 HydrophobicContact CD2-CB 4.11Å
254I91.9Very high86.7Confident1 Ų144.5 Ų44.51%0.00522%0.216CC..Hα-helixtrans-65-47.2177.7-67.2165.9000110.7K250 V251 R256 L257 Y258 L292 L312 Y313 T316 L317 L320K250-I254 VanDerWaalsContact O-CG1 3.27Å; K250-I254 WeakPolarHBondContact O-CG1 3.35Å; K250-I254 PolarHBondContact O-N 3.12Å; V251-I254 PolarHBondContact O-N 3.48Å; V251-I254 VanDerWaalsContact O-N 3.16Å; I254-R256 PolarHBondContact O-N 2.85Å; I254-L257 PolarHBondContact O-N 3.31Å; I254-Y258 WeakPolarHBondContact O-CB 3.26Å; I254-Y258 PolarHBondContact O-N 2.9Å; I254-L292 HydrophobicContact CD1-CD1 4.42Å; I254-L292 HydrophobicContact CD1-CD2 3.99Å; I254-L292 HydrophobicContact CG1-CD2 3.68Å; I254-L312 HydrophobicContact CD1-CB 4.35Å; I254-L312 HydrophobicContact CG1-CB 4.24Å; I254-L312 HydrophobicContact CG2-CB 4.11Å; I254-Y313 HydrophobicContact CG2-CD2 4.26Å; I254-T316 HydrophobicContact CD1-CG2 4.44Å; I254-L317 HydrophobicContact CB-CD1 4.09Å; I254-L317 HydrophobicContact CD1-CD1 4.43Å; I254-L317 HydrophobicContact CG2-CB 4.19Å; I254-L317 HydrophobicContact CG2-CD1 4.08Å; I254-L317 HydrophobicContact CG2-CD2 4.42Å; I254-L317 HydrophobicContact CG2-CG 4.47Å; I254-L320 HydrophobicContact CD1-CD1 3.69Å
255E91.3Very high86.5Confident52 Ų5245.3 Ų45.324%0.24322%0.222CC..Hα-helixtrans-58-50.6179.8-72.1173.3150.100111.3V251 L257 Y258 E259 L317 K321V251-E255 WeakPolarHBondContact O-CG 3.47Å; V251-E255 PolarHBondContact O-N 3.35Å; E255-L257 PolarHBondContact O-N 3.44Å; E255-Y258 WeakPolarHBondContact O-CB 3.33Å; E255-Y258 PolarHBondContact O-N 2.98Å; E255-E259 WeakPolarHBondContact O-CG 3.37Å; E255-E259 PolarHBondContact O-N 2.98Å; E255-L317 HydrophobicContact CG-CD1 4.06Å; E255-L317 HydrophobicContact CG-CD2 3.86Å; E255-K321 WeakPolarHBondContact OE1-CE 3Å; E255-K321 IonicContact OE1-NZ 2.72Å; E255-K321 PolarHBondContact OE1-NZ 2.99Å
256R90.4Very high86.1Confident81 Ų8145.9 Ų45.931%0.30623%0.225SC..Hα-helixtrans-65.6-38.7179.3-69.2-179.3-175.9-159.94.5113S252 I254 Y258 E259 I260 D272 L273 S275S252-R256 WeakPolarHBondContact O-CB 3.39Å; S252-R256 VanDerWaalsContact O-CG 3.32Å; S252-R256 WeakPolarHBondContact O-CG 3.43Å; S252-R256 PolarHBondContact O-N 3.27Å; S252-R256 VanDerWaalsContact O-N 3.08Å; I254-R256 PolarHBondContact O-N 2.85Å; R256-Y258 VanDerWaalsContact C-N 3.28Å; R256-Y258 PolarHBondContact O-N 3.25Å; R256-E259 PolarHBondContact O-N 2.93Å; R256-I260 WeakPolarHBondContact O-CB 3.45Å; R256-I260 WeakPolarHBondContact O-CD1 3.41Å; R256-I260 WeakPolarHBondContact O-CG1 3.25Å; R256-I260 PolarHBondContact O-N 3.42Å; R256-D272 PolarHBondContact NH1-O 3.19Å; R256-L273 HydrophobicContact CB-CD2 3.61Å; R256-S275 PolarHBondContact NH1-OG 3.16Å
257L90.3Very high85.6Confident2 Ų249.8 Ų49.81%0.0124%0.243CC..Hα-helixtrans-64.5-35.8176.8-77.4170.1000112L253 I254 E255 I268 L273 F289 F305 I309L253-L257 HydrophobicContact CD1-CD1 3.91Å; L253-L257 HydrophobicContact CD1-CG 4.19Å; L253-L257 HydrophobicContact CG-CD1 3.81Å; L253-L257 HydrophobicContact CG-CG 4.48Å; L253-L257 VanDerWaalsContact O-CB 3.25Å; L253-L257 WeakPolarHBondContact O-CB 3.45Å; L253-L257 WeakPolarHBondContact O-CD1 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.07Å; L253-L257 PolarHBondContact O-N 2.63Å; I254-L257 PolarHBondContact O-N 3.31Å; E255-L257 PolarHBondContact O-N 3.44Å; L257-I268 HydrophobicContact CD2-CD1 3.68Å; L257-I268 HydrophobicContact CD2-CG2 4.38Å; L257-L273 HydrophobicContact CD2-CD1 3.48Å; L257-L273 VanDerWaalsContact CD2-CD1 3.48Å; L257-L273 HydrophobicContact CG-CD1 4.08Å; L257-F289 HydrophobicContact CD1-CD2 3.39Å; L257-F289 HydrophobicContact CD1-CE2 3.48Å; L257-F289 VanDerWaalsContact CD1-CE2 3.48Å; L257-F289 HydrophobicContact CD1-CG 4.26Å; L257-F289 HydrophobicContact CD1-CZ 4.4Å; L257-F305 HydrophobicContact CD2-CZ 4.44Å; L257-I309 HydrophobicContact CB-CD1 3.97Å; L257-I309 HydrophobicContact CB-CG2 4.43Å; L257-I309 HydrophobicContact CD1-CD1 4.08Å
258Y89.2Confident85.4Confident85 Ų8549.3 Ų49.333%0.33324%0.24SC..Hα-helixtrans-69.2-45175.1-173.5-98000111.5I254 E255 R256 I260 N261 I309 D310 Y313I254-Y258 WeakPolarHBondContact O-CB 3.26Å; I254-Y258 PolarHBondContact O-N 2.9Å; E255-Y258 WeakPolarHBondContact O-CB 3.33Å; E255-Y258 PolarHBondContact O-N 2.98Å; R256-Y258 VanDerWaalsContact C-N 3.28Å; R256-Y258 PolarHBondContact O-N 3.25Å; Y258-I260 VanDerWaalsContact C-N 3.33Å; Y258-I260 PolarHBondContact O-N 3.04Å; Y258-N261 PolarHBondContact O-N 3.12Å; Y258-N261 VanDerWaalsContact O-N 3.11Å; Y258-I309 HydrophobicContact CD2-CG2 4.04Å; Y258-D310 WeakPolarHBondContact CE2-OD1 3.4Å; Y258-Y313 VanDerWaalsContact CB-CD2 3.49Å; Y258-Y313 HydrophobicContact CD1-CD1 4.23Å; Y258-Y313 AromaticContact CD1-CD2 3.66Å; Y258-Y313 HydrophobicContact CD1-CD2 3.66Å; Y258-Y313 HydrophobicContact CD1-CE1 4.18Å; Y258-Y313 AromaticContact CD1-CE2 3.59Å; Y258-Y313 HydrophobicContact CD1-CE2 3.59Å; Y258-Y313 AromaticContact CD1-CG 3.98Å; Y258-Y313 HydrophobicContact CD1-CG 3.98Å; Y258-Y313 AromaticContact CD1-CZ 3.87Å; Y258-Y313 HydrophobicContact CD2-CD1 4.1Å; Y258-Y313 AromaticContact CD2-CD2 3.88Å; Y258-Y313 HydrophobicContact CD2-CD2 3.88Å; Y258-Y313 AromaticContact CD2-CG 3.58Å; Y258-Y313 HydrophobicContact CD2-CG 3.58Å; Y258-Y313 HydrophobicContact CE1-CD1 4.11Å; Y258-Y313 HydrophobicContact CE1-CD2 4.35Å; Y258-Y313 AromaticContact CE1-CE1 3.96Å; Y258-Y313 HydrophobicContact CE1-CE1 3.96Å; Y258-Y313 HydrophobicContact CE1-CE2 4.19Å; Y258-Y313 HydrophobicContact CE1-CG 4.3Å; Y258-Y313 AromaticContact CE1-CZ 3.99Å; Y258-Y313 HydrophobicContact CE2-CD1 4Å; Y258-Y313 AromaticContact CE2-CG 3.96Å; Y258-Y313 HydrophobicContact CE2-CG 3.96Å; Y258-Y313 HydrophobicContact CG-CD1 4.23Å; Y258-Y313 AromaticContact CG-CD2 3.38Å; Y258-Y313 HydrophobicContact CG-CD2 3.38Å; Y258-Y313 AromaticContact CG-CE2 3.84Å; Y258-Y313 HydrophobicContact CG-CE2 3.84Å; Y258-Y313 AromaticContact CG-CG 3.6Å; Y258-Y313 HydrophobicContact CG-CG 3.6Å
259E88.3Confident85.4Confident150 Ų15051.8 Ų51.870%0.70126%0.256SS*.Hα-helixtrans-61.1-37.7176.8-72.8169.2-175.100113.3E255 R256 N261E255-E259 WeakPolarHBondContact O-CG 3.37Å; E255-E259 PolarHBondContact O-N 2.98Å; R256-E259 PolarHBondContact O-N 2.93Å; E259-N261 PolarHBondContact O-N 3.46Å
260I86.6Confident85.3Confident67 Ų6752.8 Ų52.834%0.34426%0.259SS..Hα-helixtrans-63.4-28.9177.3-72.8165.4000111.5R256 Y258 V262 L273R256-I260 WeakPolarHBondContact O-CB 3.45Å; R256-I260 WeakPolarHBondContact O-CD1 3.41Å; R256-I260 WeakPolarHBondContact O-CG1 3.25Å; R256-I260 PolarHBondContact O-N 3.42Å; Y258-I260 VanDerWaalsContact C-N 3.33Å; Y258-I260 PolarHBondContact O-N 3.04Å; I260-V262 VanDerWaalsContact C-N 3.32Å; I260-V262 HydrophobicContact CG2-CB 4.19Å; I260-V262 HydrophobicContact CG2-CG1 3.49Å; I260-V262 VanDerWaalsContact CG2-CG1 3.49Å; I260-V262 HydrophobicContact CG2-CG2 3.85Å; I260-V262 PolarHBondContact O-N 3.24Å; I260-V262 VanDerWaalsContact O-N 3.17Å; I260-L273 HydrophobicContact CD1-CD1 4.39Å; I260-L273 HydrophobicContact CD1-CD2 3.79Å; I260-L273 HydrophobicContact CD1-CG 4.16Å
261N81.8Confident85Confident132 Ų13253 Ų5371%0.70626%0.26SS*.  trans43.650173.9-16825000114.7Y258 E259Y258-N261 PolarHBondContact O-N 3.12Å; Y258-N261 VanDerWaalsContact O-N 3.11Å; E259-N261 PolarHBondContact O-N 3.46Å
262V81.3Confident84.6Confident24 Ų2457.6 Ų57.615%0.14528%0.284CS..  trans-97151.4178.1-69.50000112.2I260 E267 I268 F305I260-V262 VanDerWaalsContact C-N 3.32Å; I260-V262 HydrophobicContact CG2-CB 4.19Å; I260-V262 HydrophobicContact CG2-CG1 3.49Å; I260-V262 VanDerWaalsContact CG2-CG1 3.49Å; I260-V262 HydrophobicContact CG2-CG2 3.85Å; I260-V262 PolarHBondContact O-N 3.24Å; I260-V262 VanDerWaalsContact O-N 3.17Å; V262-E267 HydrophobicContact CB-CB 4.02Å; V262-E267 HydrophobicContact CG1-CB 3.88Å; V262-E267 HydrophobicContact CG2-CB 4.49Å; V262-I268 HydrophobicContact CG2-CD1 4.15Å; V262-I268 HydrophobicContact CG2-CG1 3.49Å; V262-I268 VanDerWaalsContact CG2-CG1 3.49Å; V262-F305 HydrophobicContact CG2-CD1 4.42Å; V262-F305 HydrophobicContact CG2-CE1 3.8Å; V262-F305 VanDerWaalsContact O-CD1 3.31Å; V262-F305 WeakPolarHBondContact O-CD1 3.3Å
263E73.6Confident84.4Confident109 Ų10956.6 Ų56.651%0.50928%0.277SS..SBendtrans-81.3-19.8179.3-61.6-170.1164.800113.4K27K27-E263 VanDerWaalsContact CE-OE2 3.3Å; K27-E263 WeakPolarHBondContact CE-OE2 3.42Å; K27-E263 IonicContact NZ-OE1 2.87Å; K27-E263 PolarHBondContact NZ-OE1 2.89Å; K27-E263 IonicContact NZ-OE2 3.61Å; K27-E263 PolarHBondContact NZ-OE2 3.29Å
264D74.8Confident84.1Confident21 Ų2156.5 Ų56.511%0.11228%0.276CS..SBendtrans-139.5138.2-177.7-165.5-43.1000112.2N266 E267D264-N266 PolarHBondContact O-N 2.95Å; D264-N266 VanDerWaalsContact OD1-CG 3.25Å; D264-N266 PolarHBondContact OD1-N 3.1Å; D264-N266 PolarHBondContact OD1-ND2 2.8Å; D264-N266 PolarHBondContact OD2-ND2 3.36Å; D264-E267 HydrophobicContact CB-CG 4.45Å; D264-E267 WeakPolarHBondContact O-CB 3.33Å; D264-E267 PolarHBondContact O-N 3.04Å
265T78.2Confident83.4Confident39 Ų3958 Ų5824%0.23929%0.287CS..THydrogen-bonded Turntrans-46-25.4168.951.70000116.4W270 F305T265-W270 PolarHBondContact O-NE1 3.12Å; T265-W270 VanDerWaalsContact O-NE1 3.09Å; T265-F305 HydrophobicContact CG2-CD2 3.36Å; T265-F305 HydrophobicContact CG2-CE2 3.44Å; T265-F305 VanDerWaalsContact CG2-CE2 3.44Å; T265-F305 HydrophobicContact CG2-CG 4.09Å; T265-F305 HydrophobicContact CG2-CZ 4.25Å
266N74.4Confident82.6Confident82 Ų8255.7 Ų55.744%0.43928%0.277SS..THydrogen-bonded Turntrans-81.2-17-179.6-49.5-56.8000113.2K23 D264 I268K23-N266 WeakPolarHBondContact CB-ND2 3.09Å; K23-N266 WeakPolarHBondContact CD-ND2 3.39Å; K23-N266 WeakPolarHBondContact CG-ND2 3.48Å; D264-N266 PolarHBondContact O-N 2.95Å; D264-N266 VanDerWaalsContact OD1-CG 3.25Å; D264-N266 PolarHBondContact OD1-N 3.1Å; D264-N266 PolarHBondContact OD1-ND2 2.8Å; D264-N266 PolarHBondContact OD2-ND2 3.36Å; N266-I268 VanDerWaalsContact C-N 3.26Å
267E77Confident82.1Confident87 Ų8752.4 Ų52.441%0.40727%0.265SS..SBendtrans-84.9-7.6177.3-60.1-176.5166.700111.6K20 V262 D264K20-E267 IonicContact NZ-OE1 2.6Å; K20-E267 PolarHBondContact NZ-OE1 2.96Å; V262-E267 HydrophobicContact CB-CB 4.02Å; V262-E267 HydrophobicContact CG1-CB 3.88Å; V262-E267 HydrophobicContact CG2-CB 4.49Å; D264-E267 HydrophobicContact CB-CG 4.45Å; D264-E267 WeakPolarHBondContact O-CB 3.33Å; D264-E267 PolarHBondContact O-N 3.04Å
268I83.6Confident81.7Confident11 Ų1152.6 Ų52.66%0.05627%0.267CS..SBendtrans-79.7125.8178.6-57.5173.7000109.8L257 V262 N266 W270 L273 F305L257-I268 HydrophobicContact CD2-CD1 3.68Å; L257-I268 HydrophobicContact CD2-CG2 4.38Å; V262-I268 HydrophobicContact CG2-CD1 4.15Å; V262-I268 HydrophobicContact CG2-CG1 3.49Å; V262-I268 VanDerWaalsContact CG2-CG1 3.49Å; N266-I268 VanDerWaalsContact C-N 3.26Å; I268-W270 HydrophobicContact CB-CD2 4.48Å; I268-W270 HydrophobicContact CB-CZ2 4.34Å; I268-W270 HydrophobicContact CD1-CH2 4.15Å; I268-W270 HydrophobicContact CD1-CZ2 3.69Å; I268-W270 HydrophobicContact CG2-CD2 3.92Å; I268-W270 HydrophobicContact CG2-CE3 4.36Å; I268-W270 HydrophobicContact CG2-CG 4.18Å; I268-W270 HydrophobicContact CG2-CZ2 4.27Å; I268-W270 PolarHBondContact O-N 3.44Å; I268-W270 VanDerWaalsContact O-N 3.14Å; I268-L273 HydrophobicContact CG2-CD1 3.31Å; I268-L273 HydrophobicContact CG2-CG 4.16Å; I268-F305 HydrophobicContact CD1-CE1 3.92Å; I268-F305 HydrophobicContact CD1-CE2 4.21Å; I268-F305 HydrophobicContact CD1-CZ 3.43Å; I268-F305 VanDerWaalsContact CD1-CZ 3.43Å
269D85.1Confident81.5Confident83 Ų8349.3 Ų49.344%0.44426%0.255SS..  trans-76.296.9161.9-160-26.5000110.1E271 D272 L273D269-E271 PolarHBondContact O-N 2.88Å; D269-E271 WeakPolarHBondContact OD1-CA 3.29Å; D269-E271 WeakPolarHBondContact OD1-CB 3.45Å; D269-E271 PolarHBondContact OD1-N 3.09Å; D269-D272 HydrophobicContact CB-CB 4.29Å; D269-D272 PolarHBondContact O-N 3.41Å; D269-L273 PolarHBondContact O-N 3.49Å
270W87.6Confident81.4Confident27 Ų2742.1 Ų42.110%0.10222%0.222CC..Hα-helixtrans-70.4-13.6178-65.293.4000113.1T265 I268 L273 A274 P282 V285 Q286 F289T265-W270 PolarHBondContact O-NE1 3.12Å; T265-W270 VanDerWaalsContact O-NE1 3.09Å; I268-W270 HydrophobicContact CB-CD2 4.48Å; I268-W270 HydrophobicContact CB-CZ2 4.34Å; I268-W270 HydrophobicContact CD1-CH2 4.15Å; I268-W270 HydrophobicContact CD1-CZ2 3.69Å; I268-W270 HydrophobicContact CG2-CD2 3.92Å; I268-W270 HydrophobicContact CG2-CE3 4.36Å; I268-W270 HydrophobicContact CG2-CG 4.18Å; I268-W270 HydrophobicContact CG2-CZ2 4.27Å; I268-W270 PolarHBondContact O-N 3.44Å; I268-W270 VanDerWaalsContact O-N 3.14Å; W270-L273 HydrophobicContact CE3-CD1 3.89Å; W270-L273 HydrophobicContact CZ3-CD1 3.99Å; W270-A274 PolarHBondContact O-N 3.37Å; W270-P282 HydrophobicContact CB-CB 3.8Å; W270-V285 HydrophobicContact CE3-CB 4.34Å; W270-V285 HydrophobicContact CE3-CG1 3.99Å; W270-V285 HydrophobicContact CZ3-CG1 4.19Å; W270-Q286 HydrophobicContact CB-CG 4.41Å; W270-Q286 HydrophobicContact CD2-CG 3.36Å; W270-Q286 HydrophobicContact CE3-CG 3.57Å; W270-Q286 HydrophobicContact CG-CG 3.75Å; W270-Q286 HydrophobicContact CH2-CG 4.31Å; W270-Q286 HydrophobicContact CZ2-CG 4.13Å; W270-Q286 HydrophobicContact CZ3-CG 4.05Å; W270-F289 HydrophobicContact CH2-CB 4.11Å; W270-F289 AromaticContact CH2-CD1 3.71Å; W270-F289 HydrophobicContact CH2-CD1 3.71Å; W270-F289 HydrophobicContact CH2-CE1 4.39Å; W270-F289 AromaticContact CH2-CG 3.96Å; W270-F289 HydrophobicContact CH2-CG 3.96Å; W270-F289 HydrophobicContact CZ3-CB 4.06Å; W270-F289 HydrophobicContact CZ3-CD1 4.5Å; W270-F289 HydrophobicContact CZ3-CG 4.34Å
271E85.3Confident81.5Confident25 Ų2539 Ų3912%0.11721%0.206CC..Hα-helixtrans-70.1-47.3171.5-160.667.7-121.200110.2R198 Y202 K203 D269 L273 A274 P282R198-E271 IonicContact NE-OE1 2.86Å; R198-E271 PolarHBondContact NE-OE1 3.14Å; Y202-E271 WeakPolarHBondContact CE2-OE2 3.39Å; Y202-E271 PolarHBondContact OH-OE1 2.96Å; Y202-E271 PolarHBondContact OH-OE2 3.29Å; K203-E271 IonicContact NZ-OE2 2.69Å; K203-E271 PolarHBondContact NZ-OE2 3.2Å; D269-E271 PolarHBondContact O-N 2.88Å; D269-E271 WeakPolarHBondContact OD1-CA 3.29Å; D269-E271 WeakPolarHBondContact OD1-CB 3.45Å; D269-E271 PolarHBondContact OD1-N 3.09Å; E271-L273 VanDerWaalsContact C-N 3.29Å; E271-L273 PolarHBondContact O-N 3.44Å; E271-A274 VanDerWaalsContact O-CB 3.24Å; E271-A274 WeakPolarHBondContact O-CB 3.41Å; E271-A274 PolarHBondContact O-N 3.12Å; E271-P282 HydrophobicContact CB-CG 4.48Å; E271-P282 WeakPolarHBondContact OE2-CG 3.46Å
272D84.1Confident81.9Confident106 Ų10633.3 Ų33.357%0.56718%0.176SC*.Hα-helixtrans-62-40.1177.2-71.6-18.8000111.5R256 D269 A274 S275R256-D272 PolarHBondContact NH1-O 3.19Å; D269-D272 HydrophobicContact CB-CB 4.29Å; D269-D272 PolarHBondContact O-N 3.41Å; D272-A274 VanDerWaalsContact C-N 3.26Å; D272-A274 PolarHBondContact O-N 2.94Å; D272-S275 PolarHBondContact O-N 3.2Å; D272-S275 PolarHBondContact O-OG 3.29Å
273L85.9Confident82.2Confident3 Ų333.8 Ų33.82%0.01618%0.181CC..Hα-helixtrans-68.6-21.7176-70.4-177.8000113.8L253 R256 L257 I260 I268 D269 W270 E271 S275 A276 V285L253-L273 HydrophobicContact CD1-CB 4.44Å; L253-L273 HydrophobicContact CD1-CD1 4.19Å; L253-L273 HydrophobicContact CD1-CD2 4.44Å; R256-L273 HydrophobicContact CB-CD2 3.61Å; L257-L273 HydrophobicContact CD2-CD1 3.48Å; L257-L273 VanDerWaalsContact CD2-CD1 3.48Å; L257-L273 HydrophobicContact CG-CD1 4.08Å; I260-L273 HydrophobicContact CD1-CD1 4.39Å; I260-L273 HydrophobicContact CD1-CD2 3.79Å; I260-L273 HydrophobicContact CD1-CG 4.16Å; I268-L273 HydrophobicContact CG2-CD1 3.31Å; I268-L273 HydrophobicContact CG2-CG 4.16Å; D269-L273 PolarHBondContact O-N 3.49Å; W270-L273 HydrophobicContact CE3-CD1 3.89Å; W270-L273 HydrophobicContact CZ3-CD1 3.99Å; E271-L273 VanDerWaalsContact C-N 3.29Å; E271-L273 PolarHBondContact O-N 3.44Å; L273-S275 PolarHBondContact O-N 3.16Å; L273-A276 VanDerWaalsContact O-CB 3.24Å; L273-A276 WeakPolarHBondContact O-CB 3.43Å; L273-A276 PolarHBondContact O-N 3.28Å; L273-V285 HydrophobicContact CB-CG1 4.19Å
274A85.4Confident82.9Confident0 Ų030.9 Ų30.90%017%0.165CC..Hα-helixtrans-60.2-33.217600000111.8W270 E271 D272 A276 I277 G278 V280 V285W270-A274 PolarHBondContact O-N 3.37Å; E271-A274 VanDerWaalsContact O-CB 3.24Å; E271-A274 WeakPolarHBondContact O-CB 3.41Å; E271-A274 PolarHBondContact O-N 3.12Å; D272-A274 VanDerWaalsContact C-N 3.26Å; D272-A274 PolarHBondContact O-N 2.94Å; A274-A276 PolarHBondContact O-N 3.16Å; A274-A276 VanDerWaalsContact O-N 3.16Å; A274-I277 PolarHBondContact O-N 2.72Å; A274-G278 PolarHBondContact O-N 3.17Å; A274-V280 HydrophobicContact CB-CG2 4.1Å; A274-V285 HydrophobicContact CB-CG2 3.88Å
275S77.4Confident83.7Confident33 Ų3329.9 Ų29.923%0.23116%0.16CC..THydrogen-bonded Turntrans-62.2-19.8175.5700000114.6R256 D272 L273 I277 P341R256-S275 PolarHBondContact NH1-OG 3.16Å; D272-S275 PolarHBondContact O-N 3.2Å; D272-S275 PolarHBondContact O-OG 3.29Å; L273-S275 PolarHBondContact O-N 3.16Å; S275-I277 PolarHBondContact O-N 2.77Å; S275-P341 VanDerWaalsContact CA-CG 3.42Å; S275-P341 VanDerWaalsContact CB-CD 3.43Å; S275-P341 VanDerWaalsContact CB-CG 3.41Å
276A75.1Confident84.3Confident3 Ų331.8 Ų31.83%0.02517%0.166CC..THydrogen-bonded Turntrans-68.7-25.2173.700000112.6L273 A274L273-A276 VanDerWaalsContact O-CB 3.24Å; L273-A276 WeakPolarHBondContact O-CB 3.43Å; L273-A276 PolarHBondContact O-N 3.28Å; A274-A276 PolarHBondContact O-N 3.16Å; A274-A276 VanDerWaalsContact O-N 3.16Å
277I80.2Confident85Confident11 Ų1131.1 Ų31.16%0.05617%0.165CC..THydrogen-bonded Turntrans-106.4-37.3-177.7-51.7-170.9000110.9I240 Y241 A249 A274 S275 V280 V285I240-I277 HydrophobicContact CD1-CG2 4.05Å; Y241-I277 HydrophobicContact CD2-CG2 4.28Å; A249-I277 HydrophobicContact CB-CG1 4.2Å; A249-I277 HydrophobicContact CB-CG2 4.42Å; A274-I277 PolarHBondContact O-N 2.72Å; S275-I277 PolarHBondContact O-N 2.77Å; I277-V280 HydrophobicContact CB-CG2 4.08Å; I277-V280 HydrophobicContact CG2-CG1 4.29Å; I277-V280 HydrophobicContact CG2-CG2 4.32Å; I277-V285 HydrophobicContact CD1-CB 4.34Å; I277-V285 HydrophobicContact CD1-CG1 4.06Å; I277-V285 HydrophobicContact CD1-CG2 4.15Å
278G81.7Confident85.7Confident6 Ų627.4 Ų27.46%0.06215%0.148CC..SBendtrans130.3-146178.400000112.7A274 V280A274-G278 PolarHBondContact O-N 3.17Å; G278-V280 PolarHBondContact O-N 3.42Å
279D83.4Confident86.1Confident16 Ų1627.1 Ų27.19%0.08615%0.146CC..SBendtrans-74.168.8179.7-82.9-40.4000113.2R198 M234 T235 P341 K342 F345R198-D279 IonicContact CZ-OD1 3.71Å; R198-D279 IonicContact NH1-OD1 2.83Å; R198-D279 PolarHBondContact NH1-OD1 3.18Å; M234-D279 HydrophobicContact CB-CB 4.36Å; M234-D279 WeakPolarHBondContact CB-O 3.26Å; M234-D279 WeakPolarHBondContact O-CB 3.22Å; T235-D279 WeakPolarHBondContact CG2-O 3.49Å; D279-P341 WeakPolarHBondContact OD1-CA 3.33Å; D279-K342 PolarHBondContact OD1-N 2.9Å; D279-K342 WeakPolarHBondContact OD2-CG 3.45Å; D279-F345 HydrophobicContact CB-CZ 4.43Å
280V86.4Confident86.4Confident0 Ų026 Ų260%015%0.145CC..  trans-123.3151178.2-61.60000113.6R198 T231 T235 I240 A274 I277 G278 Y284 V285R198-V280 VanDerWaalsContact NH2-N 3.19Å; R198-V280 PolarHBondContact NH2-O 3.33Å; T231-V280 HydrophobicContact CG2-CG1 4.16Å; T235-V280 HydrophobicContact CG2-CG1 4.37Å; I240-V280 HydrophobicContact CD1-CB 4.46Å; I240-V280 HydrophobicContact CD1-CG1 2.96Å; I240-V280 HydrophobicContact CG1-CG1 4.46Å; A274-V280 HydrophobicContact CB-CG2 4.1Å; I277-V280 HydrophobicContact CB-CG2 4.08Å; I277-V280 HydrophobicContact CG2-CG1 4.29Å; I277-V280 HydrophobicContact CG2-CG2 4.32Å; G278-V280 PolarHBondContact O-N 3.42Å; V280-Y284 HydrophobicContact CB-CD1 4.01Å; V280-Y284 HydrophobicContact CB-CG 4.29Å; V280-Y284 HydrophobicContact CG1-CD1 3.89Å; V280-Y284 HydrophobicContact CG1-CE1 4.25Å; V280-Y284 HydrophobicContact CG1-CG 4.42Å; V280-Y284 HydrophobicContact CG2-CD1 4.25Å; V280-V285 HydrophobicContact CG2-CG2 3.72Å
281P88.8Confident86.6Confident1 Ų130.3 Ų30.31%0.00616%0.161CC..  trans-63.6148168.3-2133.2000112.1Y202 L230 T231 M234 S283 Y284Y202-P281 HydrophobicContact CD1-CB 4.44Å; L230-P281 HydrophobicContact CB-CG 4.47Å; L230-P281 HydrophobicContact CD2-CB 4.45Å; L230-P281 HydrophobicContact CD2-CG 3.73Å; L230-P281 HydrophobicContact CG-CG 3.92Å; T231-P281 WeakPolarHBondContact OG1-CD 3.06Å; M234-P281 HydrophobicContact SD-CG 3.83Å; P281-S283 PolarHBondContact O-N 2.83Å; P281-S283 VanDerWaalsContact O-N 3.15Å; P281-Y284 VanDerWaalsContact O-CB 3.23Å; P281-Y284 WeakPolarHBondContact O-CB 3.34Å; P281-Y284 PolarHBondContact O-N 3.47Å
282P90Very high87Confident13 Ų1329.3 Ų29.38%0.08416%0.156CC..Hα-helixtrans-55-34.2176-28.635.2000114.3Y202 W270 E271 Y284 V285 Q286Y202-P282 VanDerWaalsContact CE2-CD 3.47Å; Y202-P282 HydrophobicContact CE2-CG 3.74Å; W270-P282 HydrophobicContact CB-CB 3.8Å; E271-P282 HydrophobicContact CB-CG 4.48Å; E271-P282 WeakPolarHBondContact OE2-CG 3.46Å; P282-Y284 PolarHBondContact O-N 3.46Å; P282-V285 WeakPolarHBondContact O-CB 3.25Å; P282-V285 PolarHBondContact O-N 3.42Å; P282-Q286 WeakPolarHBondContact O-CG 3.5Å; P282-Q286 PolarHBondContact O-N 3.43Å
283S87.8Confident87.4Confident34 Ų3426 Ų2624%0.23814%0.137CC..Hα-helixtrans-62.5-30.9176.4510000112.8T227 P281 T287T227-S283 WeakPolarHBondContact CG2-OG 3.21Å; P281-S283 PolarHBondContact O-N 2.83Å; P281-S283 VanDerWaalsContact O-N 3.15Å; S283-T287 PolarHBondContact O-N 3.25Å; S283-T287 PolarHBondContact O-OG1 2.93Å
284Y89.6Confident87.7Confident48 Ų4828.4 Ų28.419%0.18816%0.158CC..Hα-helixtrans-66.4-46.3174.6-172-91.8000110.6T231 I240 V280 P281 P282 Q286 T287 K288T231-Y284 HydrophobicContact CG2-CD2 3.74Å; T231-Y284 HydrophobicContact CG2-CE2 3.79Å; T231-Y284 HydrophobicContact CG2-CG 4.21Å; I240-Y284 HydrophobicContact CD1-CE1 4.31Å; V280-Y284 HydrophobicContact CB-CD1 4.01Å; V280-Y284 HydrophobicContact CB-CG 4.29Å; V280-Y284 HydrophobicContact CG1-CD1 3.89Å; V280-Y284 HydrophobicContact CG1-CE1 4.25Å; V280-Y284 HydrophobicContact CG1-CG 4.42Å; V280-Y284 HydrophobicContact CG2-CD1 4.25Å; P281-Y284 VanDerWaalsContact O-CB 3.23Å; P281-Y284 WeakPolarHBondContact O-CB 3.34Å; P281-Y284 PolarHBondContact O-N 3.47Å; P282-Y284 PolarHBondContact O-N 3.46Å; Y284-Q286 PolarHBondContact O-N 3.32Å; Y284-T287 WeakPolarHBondContact O-CB 3.3Å; Y284-T287 PolarHBondContact O-N 3.06Å; Y284-T287 VanDerWaalsContact O-N 3.14Å; Y284-K288 HydrophobicContact CD1-CG 4.05Å; Y284-K288 HydrophobicContact CE1-CD 4.3Å; Y284-K288 HydrophobicContact CE1-CG 3.77Å; Y284-K288 WeakPolarHBondContact O-CG 3.46Å; Y284-K288 PolarHBondContact O-N 3.17Å; Y284-K288 WeakPolarHBondContact OH-CE 3.44Å
285V90.6Very high88.1Confident0 Ų033.5 Ų33.50%019%0.188CC..Hα-helixtrans-59.1-47.5176.7-171.10000110.6L253 W270 L273 A274 I277 V280 P282 T287 K288 F289L253-V285 HydrophobicContact CD1-CG1 3.85Å; W270-V285 HydrophobicContact CE3-CB 4.34Å; W270-V285 HydrophobicContact CE3-CG1 3.99Å; W270-V285 HydrophobicContact CZ3-CG1 4.19Å; L273-V285 HydrophobicContact CB-CG1 4.19Å; A274-V285 HydrophobicContact CB-CG2 3.88Å; I277-V285 HydrophobicContact CD1-CB 4.34Å; I277-V285 HydrophobicContact CD1-CG1 4.06Å; I277-V285 HydrophobicContact CD1-CG2 4.15Å; V280-V285 HydrophobicContact CG2-CG2 3.72Å; P282-V285 WeakPolarHBondContact O-CB 3.25Å; P282-V285 PolarHBondContact O-N 3.42Å; V285-T287 VanDerWaalsContact C-N 3.27Å; V285-T287 PolarHBondContact O-N 3.27Å; V285-K288 PolarHBondContact O-N 2.98Å; V285-K288 VanDerWaalsContact O-N 3.12Å; V285-F289 PolarHBondContact O-N 2.79Å
286Q90.6Very high88.8Confident78 Ų7834.5 Ų34.536%0.36419%0.187SC..Hα-helixtrans-57.7-39.4176.3-71.7175.412.500112.5W270 P282 Y284 S290W270-Q286 HydrophobicContact CB-CG 4.41Å; W270-Q286 HydrophobicContact CD2-CG 3.36Å; W270-Q286 HydrophobicContact CE3-CG 3.57Å; W270-Q286 HydrophobicContact CG-CG 3.75Å; W270-Q286 HydrophobicContact CH2-CG 4.31Å; W270-Q286 HydrophobicContact CZ2-CG 4.13Å; W270-Q286 HydrophobicContact CZ3-CG 4.05Å; P282-Q286 WeakPolarHBondContact O-CG 3.5Å; P282-Q286 PolarHBondContact O-N 3.43Å; Y284-Q286 PolarHBondContact O-N 3.32Å; Q286-S290 VanDerWaalsContact O-CB 3.32Å; Q286-S290 WeakPolarHBondContact O-CB 3.41Å; Q286-S290 PolarHBondContact O-N 3.19Å; Q286-S290 PolarHBondContact O-OG 3.37Å
287T89.8Confident89.6Confident69 Ų6934.5 Ų34.542%0.42319%0.187SC..Hα-helixtrans-66.4-43.5176.9-580000110.9S283 Y284 V285 S290 R291S283-T287 PolarHBondContact O-N 3.25Å; S283-T287 PolarHBondContact O-OG1 2.93Å; Y284-T287 WeakPolarHBondContact O-CB 3.3Å; Y284-T287 PolarHBondContact O-N 3.06Å; Y284-T287 VanDerWaalsContact O-N 3.14Å; V285-T287 VanDerWaalsContact C-N 3.27Å; V285-T287 PolarHBondContact O-N 3.27Å; T287-S290 PolarHBondContact O-N 3.47Å; T287-R291 WeakPolarHBondContact O-CG 3.33Å; T287-R291 PolarHBondContact O-N 3.16Å
288K91.8Very high90.1Very high8 Ų836.7 Ų36.74%0.03520%0.202CC..Hα-helixtrans-67.2-41.4177.4-63-54-177.5177.90112.1Y241 Y284 V285 S290 R291 L292 E363Y241-K288 HydrophobicContact CD1-CD 3.99Å; Y241-K288 HydrophobicContact CD2-CG 4.29Å; Y241-K288 HydrophobicContact CE1-CD 3.84Å; Y241-K288 HydrophobicContact CE1-CG 4.44Å; Y241-K288 HydrophobicContact CE2-CB 4.2Å; Y241-K288 HydrophobicContact CE2-CD 4.37Å; Y241-K288 HydrophobicContact CE2-CG 4.09Å; Y241-K288 HydrophobicContact CG-CD 4.33Å; Y284-K288 HydrophobicContact CD1-CG 4.05Å; Y284-K288 HydrophobicContact CE1-CD 4.3Å; Y284-K288 HydrophobicContact CE1-CG 3.77Å; Y284-K288 WeakPolarHBondContact O-CG 3.46Å; Y284-K288 PolarHBondContact O-N 3.17Å; Y284-K288 WeakPolarHBondContact OH-CE 3.44Å; V285-K288 PolarHBondContact O-N 2.98Å; V285-K288 VanDerWaalsContact O-N 3.12Å; K288-S290 PolarHBondContact O-N 3.22Å; K288-R291 PolarHBondContact O-N 3.29Å; K288-L292 WeakPolarHBondContact O-CB 3.36Å; K288-L292 PolarHBondContact O-N 2.8Å; K288-E363 IonicContact NZ-OE1 3.55Å; K288-E363 PolarHBondContact NZ-OE1 3.29Å
289F92.4Very high90.5Very high5 Ų543.7 Ų43.72%0.02223%0.231CC..Hα-helixtrans-60.2-44.9171.8176.1-109.3000112L253 L257 W270 V285 R291 L292 K293 F305 I308 I309 L312L253-F289 HydrophobicContact CD2-CB 4.11Å; L257-F289 HydrophobicContact CD1-CD2 3.39Å; L257-F289 HydrophobicContact CD1-CE2 3.48Å; L257-F289 VanDerWaalsContact CD1-CE2 3.48Å; L257-F289 HydrophobicContact CD1-CG 4.26Å; L257-F289 HydrophobicContact CD1-CZ 4.4Å; W270-F289 HydrophobicContact CH2-CB 4.11Å; W270-F289 AromaticContact CH2-CD1 3.71Å; W270-F289 HydrophobicContact CH2-CD1 3.71Å; W270-F289 HydrophobicContact CH2-CE1 4.39Å; W270-F289 AromaticContact CH2-CG 3.96Å; W270-F289 HydrophobicContact CH2-CG 3.96Å; W270-F289 HydrophobicContact CZ3-CB 4.06Å; W270-F289 HydrophobicContact CZ3-CD1 4.5Å; W270-F289 HydrophobicContact CZ3-CG 4.34Å; V285-F289 PolarHBondContact O-N 2.79Å; F289-R291 VanDerWaalsContact C-N 3.29Å; F289-R291 PolarHBondContact O-N 2.9Å; F289-L292 HydrophobicContact CD2-CD2 4.45Å; F289-L292 WeakPolarHBondContact O-CB 3.42Å; F289-L292 PolarHBondContact O-N 2.97Å; F289-K293 WeakPolarHBondContact O-CB 3.4Å; F289-K293 PolarHBondContact O-N 3.28Å; F289-F305 AromaticContact CE1-CE2 3.85Å; F289-F305 HydrophobicContact CE1-CE2 3.85Å; F289-F305 HydrophobicContact CZ-CD2 4.49Å; F289-F305 AromaticContact CZ-CE2 3.65Å; F289-F305 HydrophobicContact CZ-CE2 3.65Å; F289-F305 HydrophobicContact CZ-CZ 4.45Å; F289-I308 HydrophobicContact CZ-CG2 4.38Å; F289-I309 HydrophobicContact CE2-CD1 3.69Å; F289-I309 HydrophobicContact CZ-CD1 3.76Å; F289-L312 HydrophobicContact CE2-CD1 3.91Å
290S91.4Very high90.8Very high60 Ų6046.7 Ų46.742%0.4224%0.241SC..Hα-helixtrans-60.9-39.6179.5-63.50000111.9Q286 T287 K288 A294Q286-S290 VanDerWaalsContact O-CB 3.32Å; Q286-S290 WeakPolarHBondContact O-CB 3.41Å; Q286-S290 PolarHBondContact O-N 3.19Å; Q286-S290 PolarHBondContact O-OG 3.37Å; T287-S290 PolarHBondContact O-N 3.47Å; K288-S290 PolarHBondContact O-N 3.22Å; S290-A294 WeakPolarHBondContact O-CB 3.4Å; S290-A294 PolarHBondContact O-N 2.86Å
291R92.1Very high90.8Very high117 Ų11753 Ų5344%0.44227%0.271SS..Hα-helixtrans-66.3-47.3172.9-70.5-179.3-177.7-173.8-0.5111.6T287 K288 F289 K293 A294 V295 E363T287-R291 WeakPolarHBondContact O-CG 3.33Å; T287-R291 PolarHBondContact O-N 3.16Å; K288-R291 PolarHBondContact O-N 3.29Å; F289-R291 VanDerWaalsContact C-N 3.29Å; F289-R291 PolarHBondContact O-N 2.9Å; R291-K293 VanDerWaalsContact C-N 3.35Å; R291-K293 PolarHBondContact O-N 2.92Å; R291-A294 PolarHBondContact O-N 2.88Å; R291-A294 VanDerWaalsContact O-N 3.14Å; R291-V295 WeakPolarHBondContact O-CB 2.95Å; R291-V295 VanDerWaalsContact O-CG2 3.3Å; R291-V295 WeakPolarHBondContact O-CG2 3.45Å; R291-V295 PolarHBondContact O-N 3.48Å; R291-E363 IonicContact CZ-OE2 3.29Å; R291-E363 IonicContact NH1-OE1 2.77Å; R291-E363 PolarHBondContact NH1-OE1 3.06Å; R291-E363 VanDerWaalsContact NH1-OE1 3.13Å; R291-E363 IonicContact NH1-OE2 3.46Å; R291-E363 PolarHBondContact NH1-OE2 3.36Å; R291-E363 IonicContact NH2-OE2 2.78Å
292L92.3Very high90.6Very high4 Ų461.6 Ų61.62%0.02131%0.308CS..Hα-helixtrans-54.1-51.3176.8179.877.3000111.1K250 I254 K288 F289 A294 V295 Y296 L312 L320K250-L292 HydrophobicContact CB-CD1 4.19Å; K250-L292 HydrophobicContact CD-CD1 4.06Å; K250-L292 HydrophobicContact CG-CD1 3.97Å; I254-L292 HydrophobicContact CD1-CD1 4.42Å; I254-L292 HydrophobicContact CD1-CD2 3.99Å; I254-L292 HydrophobicContact CG1-CD2 3.68Å; K288-L292 WeakPolarHBondContact O-CB 3.36Å; K288-L292 PolarHBondContact O-N 2.8Å; F289-L292 HydrophobicContact CD2-CD2 4.45Å; F289-L292 WeakPolarHBondContact O-CB 3.42Å; F289-L292 PolarHBondContact O-N 2.97Å; L292-A294 PolarHBondContact O-N 2.88Å; L292-V295 PolarHBondContact O-N 3.44Å; L292-Y296 HydrophobicContact CD1-CD2 3.48Å; L292-Y296 VanDerWaalsContact CD1-CD2 3.48Å; L292-Y296 HydrophobicContact CD1-CE2 3.59Å; L292-Y296 HydrophobicContact CG-CD2 4.2Å; L292-Y296 WeakPolarHBondContact O-CD2 3.23Å; L292-Y296 PolarHBondContact O-N 3.47Å; L292-L312 HydrophobicContact CD2-CD1 4.19Å; L292-L312 HydrophobicContact CD2-CD2 4.39Å; L292-L312 HydrophobicContact CG-CD2 4.14Å; L292-L320 HydrophobicContact CD1-CD1 4.48Å
293K93.6Very high90.3Very high37 Ų3764.6 Ų64.616%0.16132%0.32CS..Hα-helixtrans-55.7-49.5174.9177.9-173.465.4168.20111.9F289 R291 V295 V297 W300 I308F289-K293 WeakPolarHBondContact O-CB 3.4Å; F289-K293 PolarHBondContact O-N 3.28Å; R291-K293 VanDerWaalsContact C-N 3.35Å; R291-K293 PolarHBondContact O-N 2.92Å; K293-V295 VanDerWaalsContact C-N 3.31Å; K293-V295 PolarHBondContact O-N 3.39Å; K293-V297 WeakPolarHBondContact O-CB 3.24Å; K293-V297 PolarHBondContact O-N 3.21Å; K293-V297 VanDerWaalsContact O-N 3.1Å; K293-W300 HydrophobicContact CD-CB 4.29Å; K293-W300 HydrophobicContact CD-CD2 4.17Å; K293-W300 HydrophobicContact CD-CE3 3.94Å; K293-W300 HydrophobicContact CD-CG 4.34Å; K293-W300 HydrophobicContact CG-CB 3.95Å; K293-W300 HydrophobicContact CG-CD2 4.36Å; K293-W300 HydrophobicContact CG-CG 4.08Å; K293-W300 VanDerWaalsContact NZ-CZ3 3.3Å; K293-I308 HydrophobicContact CB-CG2 4.49Å; K293-I308 HydrophobicContact CD-CD1 3.86Å; K293-I308 HydrophobicContact CD-CG2 4.02Å; K293-I308 HydrophobicContact CG-CG2 3.82Å
294A92.4Very high90.2Very high54 Ų5466.6 Ų66.645%0.44633%0.331SS..Hα-helixtrans-66.8-31.3-175.200000113.5S290 R291 L292S290-A294 WeakPolarHBondContact O-CB 3.4Å; S290-A294 PolarHBondContact O-N 2.86Å; R291-A294 PolarHBondContact O-N 2.88Å; R291-A294 VanDerWaalsContact O-N 3.14Å; L292-A294 PolarHBondContact O-N 2.88Å
295V92.6Very high90Very high107 Ų10765.4 Ų65.465%0.64833%0.327SS*.Hα-helixtrans-82.5-46.2-178.41710000111.7R291 L292 K293R291-V295 WeakPolarHBondContact O-CB 2.95Å; R291-V295 VanDerWaalsContact O-CG2 3.3Å; R291-V295 WeakPolarHBondContact O-CG2 3.45Å; R291-V295 PolarHBondContact O-N 3.48Å; L292-V295 PolarHBondContact O-N 3.44Å; K293-V295 VanDerWaalsContact C-N 3.31Å; K293-V295 PolarHBondContact O-N 3.39Å
296Y92.2Very high89.7Confident53 Ų5367.2 Ų67.221%0.20834%0.338CS..Hα-helixtrans-98.1-23.9-168.2-65.6-79.5000114.2K250 L292 P298 Y311 T316K250-Y296 PolarHBondContact NZ-OH 3.05Å; L292-Y296 HydrophobicContact CD1-CD2 3.48Å; L292-Y296 VanDerWaalsContact CD1-CD2 3.48Å; L292-Y296 HydrophobicContact CD1-CE2 3.59Å; L292-Y296 HydrophobicContact CG-CD2 4.2Å; L292-Y296 WeakPolarHBondContact O-CD2 3.23Å; L292-Y296 PolarHBondContact O-N 3.47Å; Y296-P298 VanDerWaalsContact O-CD 3.32Å; Y296-P298 WeakPolarHBondContact O-CD 3.38Å; Y296-Y311 WeakPolarHBondContact O-CE1 3.44Å; Y296-T316 HydrophobicContact CD1-CG2 3.58Å; Y296-T316 HydrophobicContact CD2-CG2 4.1Å; Y296-T316 HydrophobicContact CE1-CG2 4.23Å; Y296-T316 HydrophobicContact CG-CG2 3.5Å
297V92.6Very high89.5Confident4 Ų467.7 Ų67.72%0.02434%0.341CS..SBendtrans-99.1110.7-173.2-172.20000110.9K293 W300 K303 I308 Y311 L312K293-V297 WeakPolarHBondContact O-CB 3.24Å; K293-V297 PolarHBondContact O-N 3.21Å; K293-V297 VanDerWaalsContact O-N 3.1Å; V297-W300 HydrophobicContact CB-CB 4.05Å; V297-W300 HydrophobicContact CG1-CB 3.97Å; V297-K303 HydrophobicContact CG1-CD 3.79Å; V297-I308 HydrophobicContact CG1-CG1 4.33Å; V297-I308 HydrophobicContact CG2-CG2 4.25Å; V297-Y311 HydrophobicContact CB-CD1 4.25Å; V297-Y311 HydrophobicContact CG1-CD1 4.07Å; V297-Y311 HydrophobicContact CG1-CG 4.28Å; V297-Y311 HydrophobicContact CG2-CD1 3.92Å; V297-L312 HydrophobicContact CG2-CD1 4.26Å; V297-L312 HydrophobicContact CG2-CD2 3.5Å; V297-L312 HydrophobicContact CG2-CG 3.61Å
298P91.1Very high89.5Confident57 Ų5764.8 Ų64.837%0.3732%0.322SS..THydrogen-bonded Turntrans-64.1138.6177.6-20.233.3000111.1Y296 W300 K303 Y311Y296-P298 VanDerWaalsContact O-CD 3.32Å; Y296-P298 WeakPolarHBondContact O-CD 3.38Å; P298-W300 PolarHBondContact O-N 3.4Å; P298-K303 WeakPolarHBondContact O-CE 3.22Å; P298-Y311 VanDerWaalsContact CD-OH 3.3Å; P298-Y311 WeakPolarHBondContact CD-OH 3.49Å; P298-Y311 HydrophobicContact CG-CE2 4.4Å; P298-Y311 WeakPolarHBondContact CG-OH 3.39Å
299F90Very high89.5Confident152 Ų15264.8 Ų64.867%0.66732%0.322SS*.THydrogen-bonded Turntrans48.736.5177.2-52.5-73.3000113.7Q301 K302F299-Q301 PolarHBondContact O-N 2.97Å; F299-K302 PolarHBondContact O-N 2.83Å
300W88.1Confident89.4Confident80 Ų8067.2 Ų67.230%0.30334%0.336SS..G310 helixtrans-54.9-21.5-176.265.8-97.8000113.6K293 V297 P298 K302 K303K293-W300 HydrophobicContact CD-CB 4.29Å; K293-W300 HydrophobicContact CD-CD2 4.17Å; K293-W300 HydrophobicContact CD-CE3 3.94Å; K293-W300 HydrophobicContact CD-CG 4.34Å; K293-W300 HydrophobicContact CG-CB 3.95Å; K293-W300 HydrophobicContact CG-CD2 4.36Å; K293-W300 HydrophobicContact CG-CG 4.08Å; K293-W300 VanDerWaalsContact NZ-CZ3 3.3Å; V297-W300 HydrophobicContact CB-CB 4.05Å; V297-W300 HydrophobicContact CG1-CB 3.97Å; P298-W300 PolarHBondContact O-N 3.4Å; W300-K302 PolarHBondContact O-N 3.17Å; W300-K303 PolarHBondContact O-N 3.29Å
301Q86.4Confident89.4Confident132 Ų13267.4 Ų67.462%0.61733%0.328SS*.G310 helixtrans-66.1-23.3176.4-5392.2-4.200113.3F299F299-Q301 PolarHBondContact O-N 2.97Å
302K84.6Confident89.5Confident182 Ų18261.9 Ų61.979%0.79131%0.307SS*.G310 helixtrans-97.9-2.2-179.7-63.1-174.9179.2-178.70113.2F299 W300F299-K302 PolarHBondContact O-N 2.83Å; W300-K302 PolarHBondContact O-N 3.17Å
303K84.8Confident89.5Confident76 Ų7665.6 Ų65.633%0.3332%0.321SS..SBendtrans-101.3143.8-178.5-67.3-179.3176.4-69.20110.5V297 P298 W300 E307 I308V297-K303 HydrophobicContact CG1-CD 3.79Å; P298-K303 WeakPolarHBondContact O-CE 3.22Å; W300-K303 PolarHBondContact O-N 3.29Å; K303-E307 WeakPolarHBondContact CA-OE2 3.28Å; K303-E307 HydrophobicContact CB-CB 4.09Å; K303-E307 HydrophobicContact CG-CB 4.46Å; K303-I308 HydrophobicContact CB-CD1 4.27Å; K303-I308 HydrophobicContact CB-CG1 3.72Å
304T84.6Confident89.5Confident76 Ų7670.2 Ų70.247%0.46634%0.343SS..  trans-68.4164.7166.664.20000110.3E307 I308T304-E307 WeakPolarHBondContact CB-OE2 3.34Å; T304-E307 WeakPolarHBondContact CG2-OE2 3.42Å; T304-E307 PolarHBondContact N-OE2 3.23Å; T304-E307 PolarHBondContact O-N 2.81Å; T304-E307 WeakPolarHBondContact OG1-CB 3.44Å; T304-E307 VanDerWaalsContact OG1-CD 3.25Å; T304-E307 WeakPolarHBondContact OG1-CG 3.26Å; T304-E307 PolarHBondContact OG1-N 3.02Å; T304-E307 PolarHBondContact OG1-OE2 2.78Å; T304-I308 WeakPolarHBondContact O-CD1 3.3Å; T304-I308 VanDerWaalsContact O-CG1 3.28Å; T304-I308 WeakPolarHBondContact O-CG1 3.5Å; T304-I308 PolarHBondContact O-N 3.39Å
305F85.4Confident89.4Confident23 Ų2370.5 Ų70.510%0.10134%0.34CS..Hα-helixtrans-61.9-45.2179.3-179.5-101.8000112.6L257 V262 T265 I268 F289 E307 I308 I309L257-F305 HydrophobicContact CD2-CZ 4.44Å; V262-F305 HydrophobicContact CG2-CD1 4.42Å; V262-F305 HydrophobicContact CG2-CE1 3.8Å; V262-F305 VanDerWaalsContact O-CD1 3.31Å; V262-F305 WeakPolarHBondContact O-CD1 3.3Å; T265-F305 HydrophobicContact CG2-CD2 3.36Å; T265-F305 HydrophobicContact CG2-CE2 3.44Å; T265-F305 VanDerWaalsContact CG2-CE2 3.44Å; T265-F305 HydrophobicContact CG2-CG 4.09Å; T265-F305 HydrophobicContact CG2-CZ 4.25Å; I268-F305 HydrophobicContact CD1-CE1 3.92Å; I268-F305 HydrophobicContact CD1-CE2 4.21Å; I268-F305 HydrophobicContact CD1-CZ 3.43Å; I268-F305 VanDerWaalsContact CD1-CZ 3.43Å; F289-F305 AromaticContact CE1-CE2 3.85Å; F289-F305 HydrophobicContact CE1-CE2 3.85Å; F289-F305 HydrophobicContact CZ-CD2 4.49Å; F289-F305 AromaticContact CZ-CE2 3.65Å; F289-F305 HydrophobicContact CZ-CE2 3.65Å; F289-F305 HydrophobicContact CZ-CZ 4.45Å; F305-E307 PolarHBondContact O-N 2.98Å; F305-I308 WeakPolarHBondContact O-CB 3.42Å; F305-I308 PolarHBondContact O-N 3.44Å; F305-I308 VanDerWaalsContact O-N 3.17Å; F305-I309 HydrophobicContact CD1-CG1 4.27Å; F305-I309 HydrophobicContact CD2-CG1 4.39Å; F305-I309 HydrophobicContact CE1-CD1 4.38Å; F305-I309 HydrophobicContact CE1-CG1 3.73Å; F305-I309 HydrophobicContact CE2-CD1 3.84Å; F305-I309 HydrophobicContact CE2-CG1 3.89Å; F305-I309 HydrophobicContact CZ-CD1 3.65Å; F305-I309 HydrophobicContact CZ-CG1 3.5Å; F305-I309 VanDerWaalsContact CZ-CG1 3.5Å; F305-I309 WeakPolarHBondContact O-CG1 3.38Å; F305-I309 PolarHBondContact O-N 3.01Å
306P85.1Confident89.4Confident37 Ų3765.6 Ų65.624%0.2431%0.31CS..Hα-helixtrans-56.9-48.6172.7-27.837.2000113.1I308 I309 D310P306-I308 PolarHBondContact O-N 3.07Å; P306-I308 VanDerWaalsContact O-N 3.13Å; P306-I309 CarbonylContact O-C 3.6Å; P306-I309 WeakPolarHBondContact O-CA 3.37Å; P306-I309 PolarHBondContact O-N 3.41Å; P306-D310 VanDerWaalsContact O-CG 3.26Å; P306-D310 PolarHBondContact O-N 3.27Å
307E85.6Confident89.5Confident89 Ų8963.4 Ų63.442%0.41630%0.302SS..Hα-helixtrans-60-29.9178.3-70.8168.4136.800113.3K303 T304 F305 Y311K303-E307 WeakPolarHBondContact CA-OE2 3.28Å; K303-E307 HydrophobicContact CB-CB 4.09Å; K303-E307 HydrophobicContact CG-CB 4.46Å; T304-E307 WeakPolarHBondContact CB-OE2 3.34Å; T304-E307 WeakPolarHBondContact CG2-OE2 3.42Å; T304-E307 PolarHBondContact N-OE2 3.23Å; T304-E307 PolarHBondContact O-N 2.81Å; T304-E307 WeakPolarHBondContact OG1-CB 3.44Å; T304-E307 VanDerWaalsContact OG1-CD 3.25Å; T304-E307 WeakPolarHBondContact OG1-CG 3.26Å; T304-E307 PolarHBondContact OG1-N 3.02Å; T304-E307 PolarHBondContact OG1-OE2 2.78Å; F305-E307 PolarHBondContact O-N 2.98Å; E307-Y311 WeakPolarHBondContact O-CB 3.31Å; E307-Y311 PolarHBondContact O-N 2.94Å
308I91.5Very high89.5Confident8 Ų866.5 Ų66.54%0.04132%0.322CS..Hα-helixtrans-69.6-46.3173.2-73.3160.1000110.1F289 K293 V297 K303 T304 F305 P306 L312F289-I308 HydrophobicContact CZ-CG2 4.38Å; K293-I308 HydrophobicContact CB-CG2 4.49Å; K293-I308 HydrophobicContact CD-CD1 3.86Å; K293-I308 HydrophobicContact CD-CG2 4.02Å; K293-I308 HydrophobicContact CG-CG2 3.82Å; V297-I308 HydrophobicContact CG1-CG1 4.33Å; V297-I308 HydrophobicContact CG2-CG2 4.25Å; K303-I308 HydrophobicContact CB-CD1 4.27Å; K303-I308 HydrophobicContact CB-CG1 3.72Å; T304-I308 WeakPolarHBondContact O-CD1 3.3Å; T304-I308 VanDerWaalsContact O-CG1 3.28Å; T304-I308 WeakPolarHBondContact O-CG1 3.5Å; T304-I308 PolarHBondContact O-N 3.39Å; F305-I308 WeakPolarHBondContact O-CB 3.42Å; F305-I308 PolarHBondContact O-N 3.44Å; F305-I308 VanDerWaalsContact O-N 3.17Å; P306-I308 PolarHBondContact O-N 3.07Å; P306-I308 VanDerWaalsContact O-N 3.13Å; I308-L312 HydrophobicContact CG2-CD1 4.11Å; I308-L312 WeakPolarHBondContact O-CB 3.11Å; I308-L312 VanDerWaalsContact O-CG 3.27Å; I308-L312 WeakPolarHBondContact O-CG 3.4Å; I308-L312 PolarHBondContact O-N 3.16Å
309I91.1Very high89.6Confident7 Ų768.5 Ų68.54%0.03633%0.329CS..Hα-helixtrans-68.6-43.1-178.6-63.2-53.2000110.9L257 Y258 F289 F305 P306 Y311 L312 Y313L257-I309 HydrophobicContact CB-CD1 3.97Å; L257-I309 HydrophobicContact CB-CG2 4.43Å; L257-I309 HydrophobicContact CD1-CD1 4.08Å; Y258-I309 HydrophobicContact CD2-CG2 4.04Å; F289-I309 HydrophobicContact CE2-CD1 3.69Å; F289-I309 HydrophobicContact CZ-CD1 3.76Å; F305-I309 HydrophobicContact CD1-CG1 4.27Å; F305-I309 HydrophobicContact CD2-CG1 4.39Å; F305-I309 HydrophobicContact CE1-CD1 4.38Å; F305-I309 HydrophobicContact CE1-CG1 3.73Å; F305-I309 HydrophobicContact CE2-CD1 3.84Å; F305-I309 HydrophobicContact CE2-CG1 3.89Å; F305-I309 HydrophobicContact CZ-CD1 3.65Å; F305-I309 HydrophobicContact CZ-CG1 3.5Å; F305-I309 VanDerWaalsContact CZ-CG1 3.5Å; F305-I309 WeakPolarHBondContact O-CG1 3.38Å; F305-I309 PolarHBondContact O-N 3.01Å; P306-I309 CarbonylContact O-C 3.6Å; P306-I309 WeakPolarHBondContact O-CA 3.37Å; P306-I309 PolarHBondContact O-N 3.41Å; I309-Y311 PolarHBondContact O-N 3.44Å; I309-L312 HydrophobicContact CD1-CD1 4.32Å; I309-L312 WeakPolarHBondContact O-CB 3.46Å; I309-L312 PolarHBondContact O-N 3.39Å; I309-L312 VanDerWaalsContact O-N 3.16Å; I309-Y313 WeakPolarHBondContact O-CB 3.48Å; I309-Y313 PolarHBondContact O-N 3.34Å
310D89.6Confident89.7Confident56 Ų5661.4 Ų61.430%0.29930%0.298SS..Hα-helixtrans-57.2-49.1174.5-65.3-24.2000110.7Y258 P306 L312 Y313 E314Y258-D310 WeakPolarHBondContact CE2-OD1 3.4Å; P306-D310 VanDerWaalsContact O-CG 3.26Å; P306-D310 PolarHBondContact O-N 3.27Å; D310-L312 VanDerWaalsContact C-N 3.32Å; D310-L312 PolarHBondContact O-N 3.24Å; D310-Y313 PolarHBondContact O-N 2.78Å; D310-Y313 VanDerWaalsContact O-N 3.13Å; D310-E314 WeakPolarHBondContact O-CB 3.42Å; D310-E314 WeakPolarHBondContact O-CG 3.31Å; D310-E314 PolarHBondContact O-N 3.18Å
311Y92.4Very high89.9Confident64 Ų6461.2 Ų61.225%0.25130%0.299SS..Hα-helixtrans-60.7-42.3176.9-176.1-80.4000112.2Y296 V297 P298 E307 I309 Y313 T315 T316Y296-Y311 WeakPolarHBondContact O-CE1 3.44Å; V297-Y311 HydrophobicContact CB-CD1 4.25Å; V297-Y311 HydrophobicContact CG1-CD1 4.07Å; V297-Y311 HydrophobicContact CG1-CG 4.28Å; V297-Y311 HydrophobicContact CG2-CD1 3.92Å; P298-Y311 VanDerWaalsContact CD-OH 3.3Å; P298-Y311 WeakPolarHBondContact CD-OH 3.49Å; P298-Y311 HydrophobicContact CG-CE2 4.4Å; P298-Y311 WeakPolarHBondContact CG-OH 3.39Å; E307-Y311 WeakPolarHBondContact O-CB 3.31Å; E307-Y311 PolarHBondContact O-N 2.94Å; I309-Y311 PolarHBondContact O-N 3.44Å; Y311-Y313 VanDerWaalsContact C-N 3.31Å; Y311-Y313 PolarHBondContact O-N 3.44Å; Y311-T315 HydrophobicContact CE1-CG2 4.28Å; Y311-T315 HydrophobicContact CE2-CG2 4.38Å; Y311-T315 VanDerWaalsContact O-CB 3.31Å; Y311-T315 WeakPolarHBondContact O-CB 3.44Å; Y311-T315 PolarHBondContact O-N 3.33Å; Y311-T316 PolarHBondContact O-N 3.44Å
312L93.1Very high90.2Very high1 Ų159.1 Ų59.11%0.00529%0.29CS..Iπ-helixtrans-62.8-40.4176.5-74.7172.8000111.2I254 F289 L292 V297 I308 I309 D310 T316 L317I254-L312 HydrophobicContact CD1-CB 4.35Å; I254-L312 HydrophobicContact CG1-CB 4.24Å; I254-L312 HydrophobicContact CG2-CB 4.11Å; F289-L312 HydrophobicContact CE2-CD1 3.91Å; L292-L312 HydrophobicContact CD2-CD1 4.19Å; L292-L312 HydrophobicContact CD2-CD2 4.39Å; L292-L312 HydrophobicContact CG-CD2 4.14Å; V297-L312 HydrophobicContact CG2-CD1 4.26Å; V297-L312 HydrophobicContact CG2-CD2 3.5Å; V297-L312 HydrophobicContact CG2-CG 3.61Å; I308-L312 HydrophobicContact CG2-CD1 4.11Å; I308-L312 WeakPolarHBondContact O-CB 3.11Å; I308-L312 VanDerWaalsContact O-CG 3.27Å; I308-L312 WeakPolarHBondContact O-CG 3.4Å; I308-L312 PolarHBondContact O-N 3.16Å; I309-L312 HydrophobicContact CD1-CD1 4.32Å; I309-L312 WeakPolarHBondContact O-CB 3.46Å; I309-L312 PolarHBondContact O-N 3.39Å; I309-L312 VanDerWaalsContact O-N 3.16Å; D310-L312 VanDerWaalsContact C-N 3.32Å; D310-L312 PolarHBondContact O-N 3.24Å; L312-T316 HydrophobicContact CD2-CG2 4.2Å; L312-T316 CarbonylContact O-C 3.49Å; L312-T316 WeakPolarHBondContact O-CA 3.28Å; L312-T316 VanDerWaalsContact O-CB 3.26Å; L312-T316 WeakPolarHBondContact O-CB 3.46Å; L312-T316 PolarHBondContact O-N 2.87Å; L312-L317 PolarHBondContact O-N 3.22Å
313Y93.2Very high90.5Very high83 Ų8354.4 Ų54.433%0.32527%0.269SS..Iπ-helixtrans-73.5-46.7-179.2-170.8-90000112.7I254 Y258 I309 D310 Y311 L317I254-Y313 HydrophobicContact CG2-CD2 4.26Å; Y258-Y313 VanDerWaalsContact CB-CD2 3.49Å; Y258-Y313 HydrophobicContact CD1-CD1 4.23Å; Y258-Y313 AromaticContact CD1-CD2 3.66Å; Y258-Y313 HydrophobicContact CD1-CD2 3.66Å; Y258-Y313 HydrophobicContact CD1-CE1 4.18Å; Y258-Y313 AromaticContact CD1-CE2 3.59Å; Y258-Y313 HydrophobicContact CD1-CE2 3.59Å; Y258-Y313 AromaticContact CD1-CG 3.98Å; Y258-Y313 HydrophobicContact CD1-CG 3.98Å; Y258-Y313 AromaticContact CD1-CZ 3.87Å; Y258-Y313 HydrophobicContact CD2-CD1 4.1Å; Y258-Y313 AromaticContact CD2-CD2 3.88Å; Y258-Y313 HydrophobicContact CD2-CD2 3.88Å; Y258-Y313 AromaticContact CD2-CG 3.58Å; Y258-Y313 HydrophobicContact CD2-CG 3.58Å; Y258-Y313 HydrophobicContact CE1-CD1 4.11Å; Y258-Y313 HydrophobicContact CE1-CD2 4.35Å; Y258-Y313 AromaticContact CE1-CE1 3.96Å; Y258-Y313 HydrophobicContact CE1-CE1 3.96Å; Y258-Y313 HydrophobicContact CE1-CE2 4.19Å; Y258-Y313 HydrophobicContact CE1-CG 4.3Å; Y258-Y313 AromaticContact CE1-CZ 3.99Å; Y258-Y313 HydrophobicContact CE2-CD1 4Å; Y258-Y313 AromaticContact CE2-CG 3.96Å; Y258-Y313 HydrophobicContact CE2-CG 3.96Å; Y258-Y313 HydrophobicContact CG-CD1 4.23Å; Y258-Y313 AromaticContact CG-CD2 3.38Å; Y258-Y313 HydrophobicContact CG-CD2 3.38Å; Y258-Y313 AromaticContact CG-CE2 3.84Å; Y258-Y313 HydrophobicContact CG-CE2 3.84Å; Y258-Y313 AromaticContact CG-CG 3.6Å; Y258-Y313 HydrophobicContact CG-CG 3.6Å; I309-Y313 WeakPolarHBondContact O-CB 3.48Å; I309-Y313 PolarHBondContact O-N 3.34Å; D310-Y313 PolarHBondContact O-N 2.78Å; D310-Y313 VanDerWaalsContact O-N 3.13Å; Y311-Y313 VanDerWaalsContact C-N 3.31Å; Y311-Y313 PolarHBondContact O-N 3.44Å; Y313-L317 HydrophobicContact CD2-CD2 3.62Å; Y313-L317 HydrophobicContact CE2-CD2 3.61Å; Y313-L317 HydrophobicContact CG-CD2 4.22Å; Y313-L317 WeakPolarHBondContact O-CB 3.47Å
314E92.3Very high90.8Very high133 Ų13351.8 Ų51.862%0.62126%0.258SS*.Iπ-helixtrans-78.3-39.9-174.7-66.3178.8169.100112.4D310 P318D310-E314 WeakPolarHBondContact O-CB 3.42Å; D310-E314 WeakPolarHBondContact O-CG 3.31Å; D310-E314 PolarHBondContact O-N 3.18Å; E314-P318 WeakPolarHBondContact O-CG 3.29Å
315T91.8Very high91Very high61 Ų6153.7 Ų53.737%0.37426%0.262SS..Iπ-helixtrans-103.8-44.4-172.4-52.50000112.5Y311 L319Y311-T315 HydrophobicContact CE1-CG2 4.28Å; Y311-T315 HydrophobicContact CE2-CG2 4.38Å; Y311-T315 VanDerWaalsContact O-CB 3.31Å; Y311-T315 WeakPolarHBondContact O-CB 3.44Å; Y311-T315 PolarHBondContact O-N 3.33Å; T315-L319 WeakPolarHBondContact O-CD1 3.24Å; T315-L319 WeakPolarHBondContact O-CG 3.39Å
316T92.1Very high91.2Very high4 Ų457.5 Ų57.53%0.02528%0.279CS..Iπ-helixtrans-85.6-38.4-171.1-51.90000112.3I254 Y296 Y311 L312 L319 L320I254-T316 HydrophobicContact CD1-CG2 4.44Å; Y296-T316 HydrophobicContact CD1-CG2 3.58Å; Y296-T316 HydrophobicContact CD2-CG2 4.1Å; Y296-T316 HydrophobicContact CE1-CG2 4.23Å; Y296-T316 HydrophobicContact CG-CG2 3.5Å; Y311-T316 PolarHBondContact O-N 3.44Å; L312-T316 HydrophobicContact CD2-CG2 4.2Å; L312-T316 CarbonylContact O-C 3.49Å; L312-T316 WeakPolarHBondContact O-CA 3.28Å; L312-T316 VanDerWaalsContact O-CB 3.26Å; L312-T316 WeakPolarHBondContact O-CB 3.46Å; L312-T316 PolarHBondContact O-N 2.87Å; T316-L319 PolarHBondContact O-N 2.91Å; T316-L320 HydrophobicContact CG2-CD1 3.83Å; T316-L320 HydrophobicContact CG2-CG 4.13Å; T316-L320 WeakPolarHBondContact O-CG 3.42Å; T316-L320 PolarHBondContact O-N 2.92Å
317L93.5Very high91.1Very high6 Ų658.5 Ų58.53%0.03128%0.281CS..Hα-helixtrans-59.5-45.8-177.3-17366.2000113V251 I254 E255 L312 Y313 L319 L320 K321V251-L317 HydrophobicContact CB-CD1 4.14Å; V251-L317 HydrophobicContact CG1-CD1 3.82Å; V251-L317 HydrophobicContact CG2-CD1 4.23Å; I254-L317 HydrophobicContact CB-CD1 4.09Å; I254-L317 HydrophobicContact CD1-CD1 4.43Å; I254-L317 HydrophobicContact CG2-CB 4.19Å; I254-L317 HydrophobicContact CG2-CD1 4.08Å; I254-L317 HydrophobicContact CG2-CD2 4.42Å; I254-L317 HydrophobicContact CG2-CG 4.47Å; E255-L317 HydrophobicContact CG-CD1 4.06Å; E255-L317 HydrophobicContact CG-CD2 3.86Å; L312-L317 PolarHBondContact O-N 3.22Å; Y313-L317 HydrophobicContact CD2-CD2 3.62Å; Y313-L317 HydrophobicContact CE2-CD2 3.61Å; Y313-L317 HydrophobicContact CG-CD2 4.22Å; Y313-L317 WeakPolarHBondContact O-CB 3.47Å; L317-L319 VanDerWaalsContact C-N 3.34Å; L317-L319 PolarHBondContact O-N 3.37Å; L317-L320 PolarHBondContact O-N 3.41Å; L317-K321 HydrophobicContact CG-CD 4.3Å; L317-K321 WeakPolarHBondContact O-CG 3.47Å; L317-K321 PolarHBondContact O-N 2.64Å
318P94.1Very high91Very high70 Ų7057 Ų5746%0.45528%0.275SS..Hα-helixtrans-61.1-42.8179.1-2335.5000112.1E314 L320 K321 E322E314-P318 WeakPolarHBondContact O-CG 3.29Å; P318-L320 VanDerWaalsContact C-N 3.31Å; P318-L320 PolarHBondContact O-N 3.26Å; P318-K321 PolarHBondContact O-N 2.97Å; P318-E322 WeakPolarHBondContact O-CB 3.41Å; P318-E322 PolarHBondContact O-N 3.36Å
319L93.2Very high90.6Very high99 Ų9964.1 Ų64.152%0.51831%0.308SS..Hα-helixtrans-62-39.1177.6-61.3174.5000112.1T315 T316 L317 K323T315-L319 WeakPolarHBondContact O-CD1 3.24Å; T315-L319 WeakPolarHBondContact O-CG 3.39Å; T316-L319 PolarHBondContact O-N 2.91Å; L317-L319 VanDerWaalsContact C-N 3.34Å; L317-L319 PolarHBondContact O-N 3.37Å; L319-K323 WeakPolarHBondContact O-CB 3.47Å; L319-K323 WeakPolarHBondContact O-CG 3.4Å; L319-K323 PolarHBondContact O-N 3.43Å
320L92.3Very high90Very high2 Ų272.3 Ų72.31%0.0134%0.343CS..Hα-helixtrans-71.5-37.7177.4-69175.9000112.2L247 K250 V251 I254 L292 T316 L317 P318 L324L247-L320 HydrophobicContact CD2-CD2 3.86Å; K250-L320 HydrophobicContact CB-CD1 3.83Å; K250-L320 HydrophobicContact CD-CD1 4.4Å; K250-L320 HydrophobicContact CD-CD2 4.19Å; V251-L320 HydrophobicContact CG2-CB 3.75Å; I254-L320 HydrophobicContact CD1-CD1 3.69Å; L292-L320 HydrophobicContact CD1-CD1 4.48Å; T316-L320 HydrophobicContact CG2-CD1 3.83Å; T316-L320 HydrophobicContact CG2-CG 4.13Å; T316-L320 WeakPolarHBondContact O-CG 3.42Å; T316-L320 PolarHBondContact O-N 2.92Å; L317-L320 PolarHBondContact O-N 3.41Å; P318-L320 VanDerWaalsContact C-N 3.31Å; P318-L320 PolarHBondContact O-N 3.26Å; L320-L324 WeakPolarHBondContact O-CB 3.33Å; L320-L324 PolarHBondContact O-N 3.45Å
321K92.1Very high89.2Confident76 Ų7675.8 Ų75.833%0.3336%0.355SS..Hα-helixtrans-64.3-47.1174.7-75.6-176.6175.5-177.20111.3V251 E255 L317 P318 K323 L324 E325V251-K321 HydrophobicContact CG1-CG 4.08Å; V251-K321 HydrophobicContact CG2-CG 4.16Å; E255-K321 WeakPolarHBondContact OE1-CE 3Å; E255-K321 IonicContact OE1-NZ 2.72Å; E255-K321 PolarHBondContact OE1-NZ 2.99Å; L317-K321 HydrophobicContact CG-CD 4.3Å; L317-K321 WeakPolarHBondContact O-CG 3.47Å; L317-K321 PolarHBondContact O-N 2.64Å; P318-K321 PolarHBondContact O-N 2.97Å; K321-K323 PolarHBondContact O-N 2.65Å; K321-L324 WeakPolarHBondContact O-CA 3.37Å; K321-L324 WeakPolarHBondContact O-CB 3.32Å; K321-L324 PolarHBondContact O-N 3.2Å; K321-E325 WeakPolarHBondContact O-CG 3.34Å; K321-E325 PolarHBondContact O-N 2.81Å
322E92.7Very high87.6Confident88 Ų8876.3 Ų76.341%0.41138%0.381SS..Hα-helixtrans-60.7-44.2176.5-170.2-164.5154.900111.7P318 L324 E325 K326P318-E322 WeakPolarHBondContact O-CB 3.41Å; P318-E322 PolarHBondContact O-N 3.36Å; E322-L324 VanDerWaalsContact C-N 3.29Å; E322-L324 PolarHBondContact O-N 3.39Å; E322-E325 PolarHBondContact O-N 3.24Å; E322-K326 HydrophobicContact CG-CD 4.4Å; E322-K326 WeakPolarHBondContact O-CB 3.39Å; E322-K326 WeakPolarHBondContact O-CG 3.41Å; E322-K326 PolarHBondContact O-N 2.94Å; E322-K326 VanDerWaalsContact OE1-CE 3.32Å; E322-K326 WeakPolarHBondContact OE1-CE 3.37Å; E322-K326 IonicContact OE1-NZ 3.36Å; E322-K326 PolarHBondContact OE1-NZ 3.04Å
323K91Very high85.9Confident84 Ų8479.9 Ų79.937%0.36540%0.402SS..Hα-helixtrans-60.2-39.5173.6-81.1-171.7176.1-1660111.8L247 L319 K321 M327 E367L247-K323 HydrophobicContact CD1-CB 4.16Å; L319-K323 WeakPolarHBondContact O-CB 3.47Å; L319-K323 WeakPolarHBondContact O-CG 3.4Å; L319-K323 PolarHBondContact O-N 3.43Å; K321-K323 PolarHBondContact O-N 2.65Å; K323-M327 WeakPolarHBondContact O-CG 3.33Å; K323-M327 PolarHBondContact O-N 3.29Å; K323-M327 VanDerWaalsContact O-N 3.15Å; K323-E367 IonicContact NZ-OE1 3.65Å; K323-E367 PolarHBondContact NZ-OE1 3.05Å; K323-E367 IonicContact NZ-OE2 2.72Å
324L89.6Confident84.1Confident20 Ų2085.2 Ų85.211%0.10543%0.427CS..Hα-helixtrans-66.5-46.6179.3-179.562.6000111.2M244 L247 R248 L320 K321 E322 M327 M328M244-L324 HydrophobicContact CG-CD1 3.59Å; L247-L324 HydrophobicContact CB-CB 4.42Å; L247-L324 HydrophobicContact CB-CD1 4.04Å; R248-L324 HydrophobicContact CB-CD2 4.45Å; L320-L324 WeakPolarHBondContact O-CB 3.33Å; L320-L324 PolarHBondContact O-N 3.45Å; K321-L324 WeakPolarHBondContact O-CA 3.37Å; K321-L324 WeakPolarHBondContact O-CB 3.32Å; K321-L324 PolarHBondContact O-N 3.2Å; E322-L324 VanDerWaalsContact C-N 3.29Å; E322-L324 PolarHBondContact O-N 3.39Å; L324-M327 PolarHBondContact O-N 3.17Å; L324-M328 HydrophobicContact CG-SD 4.21Å; L324-M328 WeakPolarHBondContact O-CG 3.36Å; L324-M328 PolarHBondContact O-N 2.89Å
325E88.7Confident82.3Confident116 Ų11682.9 Ų82.954%0.54242%0.418SS..Hα-helixtrans-58.7-50.8176.8-74.5172.6-17800111.5K321 E322 M327 M328 E329K321-E325 WeakPolarHBondContact O-CG 3.34Å; K321-E325 PolarHBondContact O-N 2.81Å; E322-E325 PolarHBondContact O-N 3.24Å; E325-M327 PolarHBondContact O-N 3.25Å; E325-M328 WeakPolarHBondContact O-CA 3.46Å; E325-M328 WeakPolarHBondContact O-CB 3.17Å; E325-M328 PolarHBondContact O-N 2.89Å; E325-E329 WeakPolarHBondContact O-CG 3.48Å; E325-E329 PolarHBondContact O-N 2.77Å
326K89.3Confident80.5Confident104 Ų10488 Ų8845%0.45244%0.438SS..Hα-helixtrans-57-34.9175.9-74.4174.6173.1173.70113E322 K330E322-K326 HydrophobicContact CG-CD 4.4Å; E322-K326 WeakPolarHBondContact O-CB 3.39Å; E322-K326 WeakPolarHBondContact O-CG 3.41Å; E322-K326 PolarHBondContact O-N 2.94Å; E322-K326 VanDerWaalsContact OE1-CE 3.32Å; E322-K326 WeakPolarHBondContact OE1-CE 3.37Å; E322-K326 IonicContact OE1-NZ 3.36Å; E322-K326 PolarHBondContact OE1-NZ 3.04Å; K326-K330 VanDerWaalsContact O-CG 3.28Å; K326-K330 WeakPolarHBondContact O-CG 3.24Å; K326-K330 PolarHBondContact O-N 3.46Å
327M83.9Confident78.8Confident58 Ų5893.3 Ų93.329%0.28647%0.471SS..Hα-helixtrans-75.2-31.9175.3-78.9-16179.200113L247 K323 L324 E325 K331L247-M327 HydrophobicContact CD1-CG 4.43Å; L247-M327 HydrophobicContact CD1-SD 3.66Å; K323-M327 WeakPolarHBondContact O-CG 3.33Å; K323-M327 PolarHBondContact O-N 3.29Å; K323-M327 VanDerWaalsContact O-N 3.15Å; L324-M327 PolarHBondContact O-N 3.17Å; E325-M327 PolarHBondContact O-N 3.25Å; M327-K331 PolarHBondContact O-N 3.28Å
328M82.5Confident77.1Confident57 Ų5795.5 Ų95.528%0.28149%0.485SS..Hα-helixtrans-69-46.1176.9-74.217757.800111.3M244 L324 E325 K330 K331 G332 I335M244-M328 HydrophobicContact CE-CG 4.36Å; M244-M328 HydrophobicContact SD-CG 4.03Å; L324-M328 HydrophobicContact CG-SD 4.21Å; L324-M328 WeakPolarHBondContact O-CG 3.36Å; L324-M328 PolarHBondContact O-N 2.89Å; E325-M328 WeakPolarHBondContact O-CA 3.46Å; E325-M328 WeakPolarHBondContact O-CB 3.17Å; E325-M328 PolarHBondContact O-N 2.89Å; M328-K330 VanDerWaalsContact C-N 3.29Å; M328-K330 PolarHBondContact O-N 3.21Å; M328-K331 PolarHBondContact O-N 2.86Å; M328-G332 PolarHBondContact O-N 2.99Å; M328-G332 VanDerWaalsContact O-N 3.09Å; M328-I335 HydrophobicContact CE-CD1 3.64Å; M328-I335 HydrophobicContact CE-CG1 3.85Å; M328-I335 HydrophobicContact SD-CD1 4.03Å; M328-I335 HydrophobicContact SD-CG1 4.25Å
329E83.3Confident75.5Confident158 Ų15895.6 Ų95.674%0.73849%0.492SS*.Hα-helixtrans-57.7-41.7176.5-69.3175.1168.500111.8E325 K331E325-E329 WeakPolarHBondContact O-CG 3.48Å; E325-E329 PolarHBondContact O-N 2.77Å; E329-K331 PolarHBondContact O-N 2.9Å
330K79.8Confident74.1Confident179 Ų17995 Ų9578%0.77850%0.501SS*.Hα-helixtrans-70.7-28.3-179.9-73.9177.2-177.8-176.10114.7K326 M328K326-K330 VanDerWaalsContact O-CG 3.28Å; K326-K330 WeakPolarHBondContact O-CG 3.24Å; K326-K330 PolarHBondContact O-N 3.46Å; M328-K330 VanDerWaalsContact C-N 3.29Å; M328-K330 PolarHBondContact O-N 3.21Å
331K72.1Confident73.1Confident128 Ų12896 Ų9656%0.55751%0.507SS*.Hα-helixtrans-105.6-6.4-172.7-75.4-171.7171-1730114.1M244 M327 M328 E329 T333M244-K331 HydrophobicContact CE-CB 4.17Å; M244-K331 HydrophobicContact CE-CD 4.05Å; M327-K331 PolarHBondContact O-N 3.28Å; M328-K331 PolarHBondContact O-N 2.86Å; E329-K331 PolarHBondContact O-N 2.9Å; K331-T333 WeakPolarHBondContact CB-OG1 3.44Å; K331-T333 PolarHBondContact O-N 2.73Å; K331-T333 PolarHBondContact O-OG1 2.82Å
332G59.7Low72.5Confident76 Ų7696.3 Ų96.378%0.78451%0.509SS*.THydrogen-bonded Turntrans54.622.9178.500000114.3M328M328-G332 PolarHBondContact O-N 2.99Å; M328-G332 VanDerWaalsContact O-N 3.09Å
333T57.2Low71.9Confident75 Ų7597.7 Ų97.746%0.4652%0.515SS..PPolyproline II helixtrans-102.7131.2-168.3-37.80000111K331K331-T333 WeakPolarHBondContact CB-OG1 3.44Å; K331-T333 PolarHBondContact O-N 2.73Å; K331-T333 PolarHBondContact O-OG1 2.82Å
334K55.4Low71.5Confident196 Ų19697.2 Ų97.285%0.85252%0.519SS*.PPolyproline II helixtrans-71142.2171-73.2-177.7177.8179.40111.2Q336K334-Q336 PolarHBondContact O-N 2.92Å
335I54.3Low71.1Confident84 Ų8496.4 Ų96.443%0.43152%0.515SS..PPolyproline II helixtrans-64.4119.4176.8-66.8166.9000109.5R248 M328R248-I335 VanDerWaalsContact CZ-CG2 3.41Å; M328-I335 HydrophobicContact CE-CD1 3.64Å; M328-I335 HydrophobicContact CE-CG1 3.85Å; M328-I335 HydrophobicContact SD-CD1 4.03Å; M328-I335 HydrophobicContact SD-CG1 4.25Å
336Q54.8Low70.9Confident168 Ų16893.7 Ų93.779%0.78551%0.507SS*.  trans-82.8111.9157.9-69.8-176.41800108R248 K334R248-Q336 PolarHBondContact NH1-O 3.31Å; K334-Q336 PolarHBondContact O-N 2.92Å
337T55.5Low70.5Confident116 Ų11689.2 Ų89.271%0.71249%0.488SS*.PPolyproline II helixtrans-57.1136.2172.2-47.50000109.1A339T337-A339 PolarHBondContact O-N 2.8Å
338P58.3Low70.3Confident51 Ų5192.1 Ų92.133%0.33150%0.496SS..PPolyproline II helixtrans-53.6127.3172.7-20.931.1000109.2
339A60.1Low70.3Confident72 Ų7292.2 Ų92.260%0.59550%0.497SS*.PPolyproline II helixtrans-60.7143.4173.600000109.2T337T337-A339 PolarHBondContact O-N 2.8Å
340A64.4Low70.4Confident86 Ų8684.7 Ų84.771%0.71146%0.462SS*.PPolyproline II helixtrans-54.4138.4173.700000109.6K342A340-K342 PolarHBondContact O-N 3.23Å
341P70.3Confident70.7Confident23 Ų2376.7 Ų76.715%0.14943%0.427CS..PPolyproline II helixtrans-59.7132.4-177.3-23.932.7000112.1R198 S275 D279 Q343R198-P341 VanDerWaalsContact NH1-CB 3.33Å; S275-P341 VanDerWaalsContact CA-CG 3.42Å; S275-P341 VanDerWaalsContact CB-CD 3.43Å; S275-P341 VanDerWaalsContact CB-CG 3.41Å; D279-P341 WeakPolarHBondContact OD1-CA 3.33Å; P341-Q343 PolarHBondContact O-N 2.87Å; P341-Q343 PolarHBondContact O-NE2 2.69Å
342K79Confident70.8Confident83 Ų8376.8 Ų76.836%0.36143%0.425SS..PPolyproline II helixtrans-62.3129.6172.2-66.5177.2-176.8-177.60109.6R198 D279 A340 F345R198-K342 WeakPolarHBondContact CD-O 3.33Å; R198-K342 PolarHBondContact NH1-O 2.81Å; D279-K342 PolarHBondContact OD1-N 2.9Å; D279-K342 WeakPolarHBondContact OD2-CG 3.45Å; A340-K342 PolarHBondContact O-N 3.23Å; K342-F345 HydrophobicContact CB-CE1 4.12Å; K342-F345 HydrophobicContact CB-CE2 3.98Å; K342-F345 HydrophobicContact CB-CZ 3.69Å; K342-F345 HydrophobicContact CD-CD1 4.46Å; K342-F345 HydrophobicContact CD-CE1 3.97Å; K342-F345 HydrophobicContact CD-CZ 4.36Å; K342-F345 WeakPolarHBondContact O-CE2 3.18Å
343Q80.1Confident71.1Confident117 Ų11776.2 Ų76.255%0.54740%0.4SS..SBendtrans-82-24.8177.5-61.8-58.3-38.200112.2R198 P341R198-Q343 WeakPolarHBondContact CB-O 3.44Å; R198-Q343 PolarHBondContact N-O 2.75Å; P341-Q343 PolarHBondContact O-N 2.87Å; P341-Q343 PolarHBondContact O-NE2 2.69Å
344V83Confident71Confident74 Ų7480.4 Ų80.445%0.44841%0.414SS..EExtended strand (participates in β ladder)trans-133.2144.3179.8-66.80000110.8I196I196-V344 WeakPolarHBondContact O-CA 3.47Å
345F82.6Confident70.9Confident4 Ų474.8 Ų74.82%0.01839%0.393CS..EExtended strand (participates in β ladder)trans-123.7140.1177.2-69.7-93.3000109.9S195 I196 R198 L201 M234 D279 K342 F347 I350S195-F345 CarbonylContact C-O 3.53Å; S195-F345 WeakPolarHBondContact CA-O 3.34Å; I196-F345 HydrophobicContact CG2-CB 4.32Å; I196-F345 WeakPolarHBondContact CG2-O 3.49Å; I196-F345 PolarHBondContact N-O 2.82Å; I196-F345 PolarHBondContact O-N 2.89Å; R198-F345 HydrophobicContact CB-CD2 4.42Å; R198-F345 HydrophobicContact CB-CE2 4.15Å; R198-F345 HydrophobicContact CG-CE2 4.01Å; L201-F345 HydrophobicContact CD1-CD2 4.2Å; M234-F345 HydrophobicContact CB-CE1 3.85Å; M234-F345 HydrophobicContact CB-CZ 4.02Å; M234-F345 HydrophobicContact CE-CE1 4.44Å; M234-F345 HydrophobicContact CE-CE2 3.64Å; M234-F345 HydrophobicContact CE-CZ 3.5Å; M234-F345 VanDerWaalsContact CE-CZ 3.5Å; M234-F345 HydrophobicContact CG-CD1 4.35Å; M234-F345 HydrophobicContact CG-CE1 3.84Å; M234-F345 HydrophobicContact CG-CE2 4.34Å; M234-F345 HydrophobicContact CG-CZ 3.83Å; D279-F345 HydrophobicContact CB-CZ 4.43Å; K342-F345 HydrophobicContact CB-CE1 4.12Å; K342-F345 HydrophobicContact CB-CE2 3.98Å; K342-F345 HydrophobicContact CB-CZ 3.69Å; K342-F345 HydrophobicContact CD-CD1 4.46Å; K342-F345 HydrophobicContact CD-CE1 3.97Å; K342-F345 HydrophobicContact CD-CZ 4.36Å; K342-F345 WeakPolarHBondContact O-CE2 3.18Å; F345-F347 PolarHBondContact O-N 3.44Å; F345-I350 HydrophobicContact CB-CD1 3.99Å; F345-I350 HydrophobicContact CB-CG1 3.69Å; F345-I350 HydrophobicContact CD1-CD1 4.04Å; F345-I350 HydrophobicContact CG-CD1 4.11Å; F345-I350 HydrophobicContact CG-CG1 4.36Å
346P82.8Confident70.8Confident58 Ų5873.6 Ų73.638%0.37739%0.388SS..EExtended strand (participates in β ladder)trans-60134.4168.6-21.934.6000110.3R348 D349 I350P346-R348 PolarHBondContact O-N 3.07Å; P346-D349 HydrophobicContact CB-CB 4.34Å; P346-D349 WeakPolarHBondContact CG-OD2 3.49Å; P346-D349 PolarHBondContact O-N 3.45Å; P346-I350 PolarHBondContact O-N 3.4Å
347F80.9Confident70.4Confident11 Ų1168.9 Ų68.95%0.04837%0.373CS..Hα-helixtrans-62.4-36.4-177.6-162.9-91.4000111.2E167 L171 L194 I196 F345 D349 I350 F351 Y352E167-F347 HydrophobicContact CG-CE1 3.81Å; E167-F347 HydrophobicContact CG-CZ 3.54Å; E167-F347 WeakPolarHBondContact OE1-CE1 3.35Å; L171-F347 HydrophobicContact CD1-CZ 4.3Å; L171-F347 HydrophobicContact CD2-CE2 4.15Å; L171-F347 HydrophobicContact CD2-CZ 3.97Å; L171-F347 HydrophobicContact CG-CZ 4.17Å; L194-F347 HydrophobicContact CB-CB 3.86Å; L194-F347 HydrophobicContact CB-CG 4.43Å; L194-F347 VanDerWaalsContact O-CB 3.24Å; L194-F347 WeakPolarHBondContact O-CB 3.33Å; L194-F347 PolarHBondContact O-N 3.12Å; I196-F347 HydrophobicContact CB-CD2 4.37Å; I196-F347 HydrophobicContact CD1-CE2 4.45Å; I196-F347 HydrophobicContact CG2-CD2 4.49Å; F345-F347 PolarHBondContact O-N 3.44Å; F347-D349 PolarHBondContact O-N 3.38Å; F347-I350 PolarHBondContact O-N 3.45Å; F347-F351 HydrophobicContact CD1-CB 4.36Å; F347-F351 AromaticContact CD1-CD2 3.63Å; F347-F351 HydrophobicContact CD1-CD2 3.63Å; F347-F351 HydrophobicContact CD1-CE2 4.39Å; F347-F351 HydrophobicContact CD1-CG 4.32Å; F347-F351 AromaticContact CD2-CD2 3.76Å; F347-F351 HydrophobicContact CD2-CD2 3.76Å; F347-F351 AromaticContact CD2-CE2 3.71Å; F347-F351 HydrophobicContact CD2-CE2 3.71Å; F347-F351 HydrophobicContact CE1-CB 4.21Å; F347-F351 AromaticContact CE1-CD2 3.51Å; F347-F351 HydrophobicContact CE1-CD2 3.51Å; F347-F351 HydrophobicContact CE1-CE2 4.13Å; F347-F351 AromaticContact CE1-CG 3.98Å; F347-F351 HydrophobicContact CE1-CG 3.98Å; F347-F351 AromaticContact CE2-CD2 3.65Å; F347-F351 HydrophobicContact CE2-CD2 3.65Å; F347-F351 AromaticContact CE2-CE2 3.41Å; F347-F351 HydrophobicContact CE2-CE2 3.41Å; F347-F351 VanDerWaalsContact CE2-CE2 3.41Å; F347-F351 HydrophobicContact CE2-CZ 4.3Å; F347-F351 AromaticContact CG-CD2 3.76Å; F347-F351 HydrophobicContact CG-CD2 3.76Å; F347-F351 HydrophobicContact CG-CE2 4.2Å; F347-F351 AromaticContact CZ-CD2 3.53Å; F347-F351 HydrophobicContact CZ-CD2 3.53Å; F347-F351 AromaticContact CZ-CE2 3.65Å; F347-F351 HydrophobicContact CZ-CE2 3.65Å; F347-F351 HydrophobicContact CZ-CG 4.2Å; F347-F351 HydrophobicContact CZ-CZ 4.4Å; F347-F351 WeakPolarHBondContact O-CD2 3.18Å; F347-F351 PolarHBondContact O-N 3.21Å; F347-Y352 HydrophobicContact CD1-CE2 4.04Å; F347-Y352 HydrophobicContact CE1-CE2 4.04Å
348R80.4Confident70Confident118 Ų11868.3 Ų68.345%0.44536%0.363SS..Hα-helixtrans-56.3-47.4173.9-168.9-176.7171.7-177.9-2.6112.3P346 I350 F351 Y352 Y353 E354P346-R348 PolarHBondContact O-N 3.07Å; R348-I350 PolarHBondContact O-N 3.45Å; R348-F351 PolarHBondContact O-N 3.35Å; R348-Y352 CarbonylContact O-C 3.37Å; R348-Y352 WeakPolarHBondContact O-CA 3.22Å; R348-Y352 PolarHBondContact O-N 2.81Å; R348-Y353 PolarHBondContact O-N 3.35Å; R348-E354 IonicContact NH2-OE1 2.95Å; R348-E354 PolarHBondContact NH2-OE1 3.29Å
349D82.4Confident69.1Low60 Ų6068.7 Ų68.732%0.32138%0.376SS..Hα-helixtrans-63.5-31.3-178.3-63-4.1000112P346 F347P346-D349 HydrophobicContact CB-CB 4.34Å; P346-D349 WeakPolarHBondContact CG-OD2 3.49Å; P346-D349 PolarHBondContact O-N 3.45Å; F347-D349 PolarHBondContact O-N 3.38Å
350I86.2Confident67.9Low0 Ų072.8 Ų72.80%038%0.382CS..Hα-helixtrans-89.1-30.5-177.7-58.9-59.6000113.2L201 W226 L230 R233 M234 F345 P346 F347 R348L201-I350 HydrophobicContact CD1-CD1 4.22Å; L201-I350 HydrophobicContact CD1-CG1 4.11Å; L201-I350 HydrophobicContact CD1-CG2 4.32Å; L201-I350 HydrophobicContact CD2-CG2 3.76Å; W226-I350 HydrophobicContact CH2-CG2 4.08Å; W226-I350 HydrophobicContact CZ2-CG2 4.34Å; L230-I350 HydrophobicContact CD1-CD1 4.23Å; L230-I350 HydrophobicContact CD1-CG2 4.22Å; R233-I350 HydrophobicContact CB-CD1 4.04Å; R233-I350 WeakPolarHBondContact CD-O 3.28Å; R233-I350 PolarHBondContact NH1-O 2.68Å; M234-I350 HydrophobicContact CG-CD1 4.26Å; F345-I350 HydrophobicContact CB-CD1 3.99Å; F345-I350 HydrophobicContact CB-CG1 3.69Å; F345-I350 HydrophobicContact CD1-CD1 4.04Å; F345-I350 HydrophobicContact CG-CD1 4.11Å; F345-I350 HydrophobicContact CG-CG1 4.36Å; P346-I350 PolarHBondContact O-N 3.4Å; F347-I350 PolarHBondContact O-N 3.45Å; R348-I350 PolarHBondContact O-N 3.45Å
351F84.8Confident66.9Low10 Ų1074.2 Ų74.24%0.04438%0.378CS..Hα-helixtrans-113.1-32.5-174.7-66.9-78.4000113.9I163 V166 E167 I170 L201 W226 R233 F347 R348I163-F351 HydrophobicContact CG2-CB 4.45Å; I163-F351 HydrophobicContact CG2-CD1 3.92Å; V166-F351 HydrophobicContact CG1-CE1 4.4Å; E167-F351 HydrophobicContact CB-CD1 3.59Å; E167-F351 HydrophobicContact CB-CE1 3.65Å; E167-F351 HydrophobicContact CB-CG 4.35Å; E167-F351 HydrophobicContact CB-CZ 4.43Å; E167-F351 HydrophobicContact CG-CD1 3.81Å; E167-F351 HydrophobicContact CG-CE1 4.09Å; E167-F351 HydrophobicContact CG-CG 4.05Å; I170-F351 HydrophobicContact CD1-CZ 3.96Å; L201-F351 HydrophobicContact CD2-CE2 4.28Å; L201-F351 HydrophobicContact CD2-CZ 4.26Å; W226-F351 HydrophobicContact CH2-CD1 4.17Å; W226-F351 AromaticContact CH2-CE1 3.54Å; W226-F351 HydrophobicContact CH2-CE1 3.54Å; W226-F351 HydrophobicContact CH2-CZ 4.03Å; W226-F351 HydrophobicContact CZ2-CE1 4.27Å; W226-F351 HydrophobicContact CZ2-CZ 4.39Å; W226-F351 HydrophobicContact CZ3-CE1 4.3Å; R233-F351 PolarHBondContact NH1-O 3.5Å; F347-F351 HydrophobicContact CD1-CB 4.36Å; F347-F351 AromaticContact CD1-CD2 3.63Å; F347-F351 HydrophobicContact CD1-CD2 3.63Å; F347-F351 HydrophobicContact CD1-CE2 4.39Å; F347-F351 HydrophobicContact CD1-CG 4.32Å; F347-F351 AromaticContact CD2-CD2 3.76Å; F347-F351 HydrophobicContact CD2-CD2 3.76Å; F347-F351 AromaticContact CD2-CE2 3.71Å; F347-F351 HydrophobicContact CD2-CE2 3.71Å; F347-F351 HydrophobicContact CE1-CB 4.21Å; F347-F351 AromaticContact CE1-CD2 3.51Å; F347-F351 HydrophobicContact CE1-CD2 3.51Å; F347-F351 HydrophobicContact CE1-CE2 4.13Å; F347-F351 AromaticContact CE1-CG 3.98Å; F347-F351 HydrophobicContact CE1-CG 3.98Å; F347-F351 AromaticContact CE2-CD2 3.65Å; F347-F351 HydrophobicContact CE2-CD2 3.65Å; F347-F351 AromaticContact CE2-CE2 3.41Å; F347-F351 HydrophobicContact CE2-CE2 3.41Å; F347-F351 VanDerWaalsContact CE2-CE2 3.41Å; F347-F351 HydrophobicContact CE2-CZ 4.3Å; F347-F351 AromaticContact CG-CD2 3.76Å; F347-F351 HydrophobicContact CG-CD2 3.76Å; F347-F351 HydrophobicContact CG-CE2 4.2Å; F347-F351 AromaticContact CZ-CD2 3.53Å; F347-F351 HydrophobicContact CZ-CD2 3.53Å; F347-F351 AromaticContact CZ-CE2 3.65Å; F347-F351 HydrophobicContact CZ-CE2 3.65Å; F347-F351 HydrophobicContact CZ-CG 4.2Å; F347-F351 HydrophobicContact CZ-CZ 4.4Å; F347-F351 WeakPolarHBondContact O-CD2 3.18Å; F347-F351 PolarHBondContact O-N 3.21Å; R348-F351 PolarHBondContact O-N 3.35Å
352Y75.7Confident65.2Low130 Ų13078.9 Ų78.951%0.5140%0.401SS..  trans-115.130.1-170.7-60.9-85.6000113.2E167 F347 R348 E354E167-Y352 PolarHBondContact OE1-OH 3.26Å; F347-Y352 HydrophobicContact CD1-CE2 4.04Å; F347-Y352 HydrophobicContact CE1-CE2 4.04Å; R348-Y352 CarbonylContact O-C 3.37Å; R348-Y352 WeakPolarHBondContact O-CA 3.22Å; R348-Y352 PolarHBondContact O-N 2.81Å; Y352-E354 PolarHBondContact O-N 3.34Å
353Y65.1Low63.4Low64 Ų6480.8 Ų80.825%0.25141%0.411SS..  trans-65.4121.4178.9-166-97.6000111.4R233 R348 D355R233-Y353 HydrophobicContact CG-CG 4.48Å; R348-Y353 PolarHBondContact O-N 3.35Å; Y353-D355 HydrophobicContact CD1-CB 4.23Å; Y353-D355 HydrophobicContact CE1-CB 3.65Å; Y353-D355 PolarHBondContact O-N 3.5Å
354E54.9Low61Low164 Ų16484.2 Ų84.277%0.76642%0.424SS*.SBendtrans-79.6-14.6-169.4-68.8174.5-158.100114.6R348 Y352 D356R348-E354 IonicContact NH2-OE1 2.95Å; R348-E354 PolarHBondContact NH2-OE1 3.29Å; Y352-E354 PolarHBondContact O-N 3.34Å; E354-D356 PolarHBondContact O-N 2.99Å
355D54.3Low58.7Low77 Ų7787.7 Ų87.741%0.41244%0.435SS..  trans-98.474.2179.3-178.527.5000111.9Y353 S357Y353-D355 HydrophobicContact CD1-CB 4.23Å; Y353-D355 HydrophobicContact CE1-CB 3.65Å; Y353-D355 PolarHBondContact O-N 3.5Å; D355-S357 PolarHBondContact O-N 3.27Å; D355-S357 WeakPolarHBondContact OD1-CB 3.48Å; D355-S357 PolarHBondContact OD1-N 3.48Å; D355-S357 PolarHBondContact OD1-OG 3.15Å
356D51.2Low56.5Low60 Ų6093.1 Ų93.132%0.32147%0.474SS..  trans-81.524.7167.7-84.2-13.4000111.8R233 E354 E358R233-D356 IonicContact NH2-OD1 3.91Å; E354-D356 PolarHBondContact O-N 2.99Å; D356-E358 PolarHBondContact O-N 3.47Å
357S47.4Very low54.2Low68 Ų6896.5 Ų96.548%0.47648%0.484SS..  trans-72.6115.8170.282.20000109.2K232 D355 G359K232-S357 PolarHBondContact NZ-O 2.69Å; D355-S357 PolarHBondContact O-N 3.27Å; D355-S357 WeakPolarHBondContact OD1-CB 3.48Å; D355-S357 PolarHBondContact OD1-N 3.48Å; D355-S357 PolarHBondContact OD1-OG 3.15Å; S357-G359 PolarHBondContact O-N 3.27Å; S357-G359 VanDerWaalsContact O-N 3.15Å
358E45.3Very low51.8Low105 Ų10599.8 Ų99.849%0.49152%0.521SS..  trans-77.796.1176.9-67.6-165.8154.200108.4D356 E360D356-E358 PolarHBondContact O-N 3.47Å; E358-E360 PolarHBondContact O-N 3.3Å
359G40Very low49.2Very low58 Ų58103.9 Ų103.960%0.59855%0.546SS*.  trans-72.7106.9152.300000107.4S357 D361S357-G359 PolarHBondContact O-N 3.27Å; S357-G359 VanDerWaalsContact O-N 3.15Å; G359-D361 PolarHBondContact O-N 3.29Å
360E36.1Very low46.6Very low158 Ų158104.9 Ų104.974%0.73856%0.562SS**  trans-58.1106.2168.9-71-176.9166.500108.8E358 I362E358-E360 PolarHBondContact O-N 3.3Å; E360-I362 HydrophobicContact CB-CG1 4.45Å; E360-I362 PolarHBondContact O-N 3.27Å
361D42.8Very low43.8Very low117 Ų117110.7 Ų110.763%0.62660%0.6SS**  trans-74.578.7170.5-77.3-36.9000108.9R239 G359 E363R239-D361 IonicContact CZ-OD1 2.73Å; R239-D361 IonicContact NE-OD1 2.92Å; R239-D361 IonicContact NH2-OD1 3.83Å; R239-D361 PolarHBondContact NH2-OD1 3.04Å; G359-D361 PolarHBondContact O-N 3.29Å; D361-E363 VanDerWaalsContact C-N 3.34Å; D361-E363 PolarHBondContact O-N 3.2Å; D361-E363 VanDerWaalsContact O-N 3.07Å
362I33.7Very low41Very low121 Ų121116.1 Ų116.162%0.62164%0.638SS**  trans-72.695.4161.1-55.3178.9000106.5E360 K364E360-I362 HydrophobicContact CB-CG1 4.45Å; E360-I362 PolarHBondContact O-N 3.27Å; I362-K364 HydrophobicContact CG2-CG 3.97Å; I362-K364 PolarHBondContact O-N 2.91Å
363E40.9Very low38.5Very low123 Ų123117.8 Ų117.858%0.57565%0.652SS**  trans-60.183165.8-76.1-178.2159.300108.9K288 R291 D361 E365K288-E363 IonicContact NZ-OE1 3.55Å; K288-E363 PolarHBondContact NZ-OE1 3.29Å; R291-E363 IonicContact CZ-OE2 3.29Å; R291-E363 IonicContact NH1-OE1 2.77Å; R291-E363 PolarHBondContact NH1-OE1 3.06Å; R291-E363 VanDerWaalsContact NH1-OE1 3.13Å; R291-E363 IonicContact NH1-OE2 3.46Å; R291-E363 PolarHBondContact NH1-OE2 3.36Å; R291-E363 IonicContact NH2-OE2 2.78Å; D361-E363 VanDerWaalsContact C-N 3.34Å; D361-E363 PolarHBondContact O-N 3.2Å; D361-E363 VanDerWaalsContact O-N 3.07Å; E363-E365 PolarHBondContact O-N 3.02Å
364K30.8Very low36.7Very low189 Ų189119 Ų11982%0.82268%0.676SS**  trans-86.586.9160.1-76.9-169.3-178.2179.60108.4I362I362-K364 HydrophobicContact CG2-CG 3.97Å; I362-K364 PolarHBondContact O-N 2.91Å
365E35.2Very low35.4Very low147 Ų147120 Ų12069%0.68768%0.68SS**  trans-82.5109.6160.2-79.9-174158.200108.2E363 E367E363-E365 PolarHBondContact O-N 3.02Å; E365-E367 PolarHBondContact O-N 3.2Å
366S34.6Very low33.9Very low117 Ų117120.4 Ų120.482%0.81869%0.694SS**  trans-83.491.516759.70000109.2
367E34.8Very low32.7Very low129 Ų129123.2 Ų123.260%0.60372%0.717SS**  trans-137.4124.7161-74.9-164.3147.200109.6K323 E365K323-E367 IonicContact NZ-OE1 3.65Å; K323-E367 PolarHBondContact NZ-OE1 3.05Å; K323-E367 IonicContact NZ-OE2 2.72Å; E365-E367 PolarHBondContact O-N 3.2Å
368G31Very low31.5Very low80 Ų80127.9 Ų127.983%0.82574%0.737SS**  trans20.2103.316300000118.8A370G368-A370 PolarHBondContact O-N 2.98Å
369Q27.1Very low30.6Very low204 Ų204127.8 Ų127.895%0.95375%0.748SS**  trans-59.1113.1168.3-150.6161.914.900110.7
370A27.3Very low29.8Very low81 Ų81130.1 Ų130.167%0.66976%0.755SS**  trans-113.6134.7151.200000106.8G368 C372G368-A370 PolarHBondContact O-N 2.98Å; A370-C372 PolarHBondContact O-N 3.49Å; A370-C372 VanDerWaalsContact O-N 3.09Å
371P27Very low29.2Very low122 Ų122128.4 Ų128.479%0.79276%0.755SS**  trans-72.8111.7-161.928.1-32.2000110.8M373P371-M373 PolarHBondContact O-N 3.16Å
372C24.8Very low28.3Very low125 Ų125130.8 Ų130.885%0.84577%0.767SS**  trans-69111.6153.9-70.80000107.2A370 A374A370-C372 PolarHBondContact O-N 3.49Å; A370-C372 VanDerWaalsContact O-N 3.09Å; C372-A374 PolarHBondContact O-N 3.11Å
373M24.1Very low27.8Very low165 Ų165129 Ų12981%0.81378%0.778SS**  trans-56.9107.9165.7-74.8-163.2-159.700108.7P371 H375P371-M373 PolarHBondContact O-N 3.16Å; M373-H375 PolarHBondContact O-N 3.17Å
374A26.7Very low26.9Very low90 Ų90126.9 Ų126.974%0.74479%0.79SS**  trans-68.2107.3162.300000107.6C372 A376C372-A374 PolarHBondContact O-N 3.11Å; A374-A376 PolarHBondContact O-N 2.94Å; A374-A376 VanDerWaalsContact O-N 3.08Å
375H27.5Very low26.6Very low183 Ų183127.8 Ų127.885%0.84780%0.797SS**  trans-78.683.6157.2-80.1-53.3000108.1M373M373-H375 PolarHBondContact O-N 3.17Å
376A24.4Very low26.1Very low86 Ų86124.3 Ų124.371%0.71180%0.8SS**  trans-86.2133.6154.800000108.1A374A374-A376 PolarHBondContact O-N 2.94Å; A374-A376 VanDerWaalsContact O-N 3.08Å
377C24.9Very low25.5Very low120 Ų120129.9 Ų129.981%0.81180%0.803SS**  trans-54.2142.4174.8-64.60000112
378N23.2Very low25Very low165 Ų165135.2 Ų135.288%0.88282%0.818SS**  -145.9131.3128.6-110.5-7.6000111.1
379S24.9Very low24.8Very low104 Ų104138.2 Ų138.273%0.72781%0.814SS**  trans-62.8141173.9-36.20000110.5
380S23.5Very low25.1Very low106 Ų106139.6 Ų139.674%0.74183%0.825SS**  167.9121.2127-690000111.4
381T24.1Very low25Very low122 Ų122142.6 Ų142.675%0.74883%0.833SS**  trans55.5107.9140.249.20000120.5
382L24.3Very low24.9Very low168 Ų168143.6 Ų143.688%0.8884%0.835SS**  158.412796-95.2145.9000111.8
383G22Very low24.9Very low82 Ų82144.7 Ų144.785%0.84584%0.835SS**  trans50.9118.6140.400000120.7
384G22.7Very low24.9Very low80 Ų80143.5 Ų143.583%0.82584%0.836SS**  trans173.499.7158.600000114.2
385Q23.9Very low24.8Very low208 Ų208146.8 Ų146.897%0.97284%0.842SS**  trans-55153.3169-68163.5-6.500112.6
386G24.6Very low24.6Very low73 Ų73144.4 Ų144.475%0.75384%0.842SS**  trans152.279.1163.600000113.2
387R23.8Very low24.6Very low234 Ų234148.6 Ų148.688%0.88385%0.851SS**  83.1104.392.4-152.3176.7-161178.43.9112.7
388W24.1Very low24.6Very low242 Ų242150.8 Ų150.892%0.91785%0.854SS**  trans-41.8149.7158.3-60.584.2000112.9
389I26Very low24.7Very low143 Ų143149.6 Ų149.673%0.73385%0.852SS**  trans-169.5119.8136-93.1146.3000109.6
390I32.9Very low24.7Very low233 Ų233153.7 Ų153.7100%1.19586%0.863SS**  trans58.60147.9-52.9170.7000118.8

Retrieved 390 of 390 residues in 122.4 ms (Link to these results)

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