A0A077ZEQ8_TRITR Loading...

Nicotinamide phosphoribosyltransferase N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZEQ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 200 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
1M34.2Very low73.1Confident232 Ų23271.5 Ų71.5100%1.14338%0.375SS*.  0116.80-147.3168.9-171.200104.6
2E40.8Very low74.2Confident167 Ų16771.2 Ų71.278%0.7837%0.374SS*.  trans-52.8140173.8-77.3-73.5150.600108.7V4E2-V4 PolarHBondContact O-N 3.33Å; E2-V4 VanDerWaalsContact O-N 3.14Å
3P53.3Low75.3Confident100 Ų10069.6 Ų69.665%0.64937%0.372SS*.  trans-56.4122.7173-13.325.2000108.3D5P3-D5 PolarHBondContact O-N 3.41Å
4V62Low76.2Confident81 Ų8171.9 Ų71.949%0.49137%0.374SS..  trans-74.997.4-178.7-171.40000108.1E2 N6 Y9E2-V4 PolarHBondContact O-N 3.33Å; E2-V4 VanDerWaalsContact O-N 3.14Å; V4-N6 HydrophobicContact CG1-CB 4.32Å; V4-N6 PolarHBondContact O-N 3.32Å; V4-Y9 HydrophobicContact CB-CD2 4.41Å; V4-Y9 HydrophobicContact CG1-CD2 3.48Å; V4-Y9 VanDerWaalsContact CG1-CD2 3.48Å; V4-Y9 HydrophobicContact CG1-CE2 3.41Å; V4-Y9 VanDerWaalsContact CG1-CE2 3.41Å
5D81.5Confident77.1Confident91 Ų9167.4 Ų67.449%0.48735%0.35SS..  trans-8165.8179.8-86.8-14.1000111.3P3 R54 W55P3-D5 PolarHBondContact O-N 3.41Å; D5-R54 IonicContact OD1-CZ 3.04Å; D5-R54 IonicContact OD1-NH1 2.81Å; D5-R54 IonicContact OD1-NH2 2.66Å; D5-R54 PolarHBondContact OD1-NH2 3.43Å; D5-R54 IonicContact OD2-CZ 3.97Å; D5-R54 IonicContact OD2-NH1 3.9Å; D5-R54 IonicContact OD2-NH2 3.38Å; D5-R54 PolarHBondContact OD2-NH2 3.09Å; D5-W55 WeakPolarHBondContact OD1-CH2 3.46Å
6N88.2Confident77.9Confident3 Ų363.2 Ų63.22%0.01633%0.329CS..  trans-129.9115.8175.1-172.5-14.7000111.6V4 L8 Y9 M65V4-N6 HydrophobicContact CG1-CB 4.32Å; V4-N6 PolarHBondContact O-N 3.32Å; N6-L8 PolarHBondContact O-N 3.02Å; N6-L8 VanDerWaalsContact O-N 3.15Å; N6-L8 WeakPolarHBondContact OD1-CB 3.42Å; N6-L8 VanDerWaalsContact OD1-CD1 3.27Å; N6-L8 WeakPolarHBondContact OD1-CD1 3.41Å; N6-L8 PolarHBondContact OD1-N 3.34Å; N6-Y9 HydrophobicContact CB-CD2 3.58Å; N6-Y9 HydrophobicContact CB-CE2 3.64Å; N6-Y9 HydrophobicContact CB-CG 4.41Å; N6-Y9 PolarHBondContact O-N 3.08Å; N6-M65 HydrophobicContact CB-CE 3.93Å; N6-M65 PolarHBondContact ND2-O 3.15Å; N6-M65 VanDerWaalsContact OD1-CE 3.23Å; N6-M65 WeakPolarHBondContact OD1-CE 3.38Å
7V89.7Confident78.6Confident3 Ų361.5 Ų61.52%0.01832%0.322CS..G310 helixtrans-61-23.9-177.973.70000112.7Y9 L10 W55 V60 V61 M65 F135V7-Y9 PolarHBondContact O-N 2.99Å; V7-L10 HydrophobicContact CB-CD1 4.39Å; V7-L10 HydrophobicContact CG2-CD1 3.91Å; V7-L10 WeakPolarHBondContact O-CB 3.37Å; V7-L10 PolarHBondContact O-N 3.26Å; V7-W55 WeakPolarHBondContact CG2-O 3.42Å; V7-V60 HydrophobicContact CG1-CB 4.36Å; V7-V60 HydrophobicContact CG1-CG2 4.37Å; V7-V60 WeakPolarHBondContact CG1-O 3.09Å; V7-V61 HydrophobicContact CG1-CG2 3.44Å; V7-V61 VanDerWaalsContact CG1-CG2 3.44Å; V7-M65 HydrophobicContact CG1-CE 4.43Å; V7-F135 HydrophobicContact CG2-CD1 4.49Å; V7-F135 HydrophobicContact CG2-CE1 3.28Å; V7-F135 HydrophobicContact CG2-CZ 3.63Å
8L91.4Very high79.3Confident0 Ų059.9 Ų59.90%031%0.312CS..G310 helixtrans-66.6-27177-76.271.5000111.5N6 L10 V61 I66 A69 Y73 F83 W88 W134N6-L8 PolarHBondContact O-N 3.02Å; N6-L8 VanDerWaalsContact O-N 3.15Å; N6-L8 WeakPolarHBondContact OD1-CB 3.42Å; N6-L8 VanDerWaalsContact OD1-CD1 3.27Å; N6-L8 WeakPolarHBondContact OD1-CD1 3.41Å; N6-L8 PolarHBondContact OD1-N 3.34Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 2.69Å; L8-V61 HydrophobicContact CD1-CB 4.4Å; L8-V61 HydrophobicContact CD1-CG1 3.86Å; L8-V61 HydrophobicContact CD1-CG2 3.72Å; L8-I66 HydrophobicContact CD2-CG1 4.25Å; L8-A69 HydrophobicContact CB-CB 3.87Å; L8-A69 HydrophobicContact CD2-CB 3.41Å; L8-A69 VanDerWaalsContact CD2-CB 3.41Å; L8-A69 HydrophobicContact CG-CB 4.29Å; L8-Y73 PolarHBondContact O-OH 2.94Å; L8-F83 HydrophobicContact CD2-CE2 3.96Å; L8-F83 HydrophobicContact CD2-CZ 3.49Å; L8-F83 VanDerWaalsContact CD2-CZ 3.49Å; L8-W88 HydrophobicContact CD1-CE3 4.43Å; L8-W88 HydrophobicContact CD2-CD2 4.34Å; L8-W88 HydrophobicContact CD2-CG 4.33Å; L8-W88 HydrophobicContact CG-CD2 4.26Å; L8-W88 HydrophobicContact CG-CZ2 4.29Å; L8-W134 VanDerWaalsContact O-CZ2 3.27Å; L8-W134 WeakPolarHBondContact O-CZ2 3.12Å
9Y90.3Very high79.9Confident53 Ų5360.1 Ų60.121%0.20831%0.309CS..G310 helixtrans-84.7-2.9179.2-55.6-39.8000114.2V4 N6 V7 A11 E68 A69 F72 Y73V4-Y9 HydrophobicContact CB-CD2 4.41Å; V4-Y9 HydrophobicContact CG1-CD2 3.48Å; V4-Y9 VanDerWaalsContact CG1-CD2 3.48Å; V4-Y9 HydrophobicContact CG1-CE2 3.41Å; V4-Y9 VanDerWaalsContact CG1-CE2 3.41Å; N6-Y9 HydrophobicContact CB-CD2 3.58Å; N6-Y9 HydrophobicContact CB-CE2 3.64Å; N6-Y9 HydrophobicContact CB-CG 4.41Å; N6-Y9 PolarHBondContact O-N 3.08Å; V7-Y9 PolarHBondContact O-N 2.99Å; Y9-A11 VanDerWaalsContact C-N 3.26Å; Y9-A11 PolarHBondContact O-N 3.17Å; Y9-E68 VanDerWaalsContact OH-CD 3.26Å; Y9-E68 WeakPolarHBondContact OH-CG 3.44Å; Y9-E68 PolarHBondContact OH-OE1 3.47Å; Y9-A69 HydrophobicContact CE1-CB 3.85Å; Y9-F72 HydrophobicContact CD1-CD1 4.05Å; Y9-F72 HydrophobicContact CD1-CE1 4.36Å; Y9-F72 HydrophobicContact CE1-CB 4.01Å; Y9-F72 AromaticContact CE1-CD1 3.7Å; Y9-F72 HydrophobicContact CE1-CD1 3.7Å; Y9-F72 HydrophobicContact CE1-CE1 4.42Å; Y9-F72 AromaticContact CE1-CG 3.91Å; Y9-F72 HydrophobicContact CE1-CG 3.91Å; Y9-Y73 HydrophobicContact CD1-CE2 4.35Å
10L86.3Confident80.4Confident46 Ų4662.8 Ų62.824%0.24132%0.324CS..G310 helixtrans-81-3-176.6-59.7179.4000114.1V7 L8 W55V7-L10 HydrophobicContact CB-CD1 4.39Å; V7-L10 HydrophobicContact CG2-CD1 3.91Å; V7-L10 WeakPolarHBondContact O-CB 3.37Å; V7-L10 PolarHBondContact O-N 3.26Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 2.69Å; L10-W55 HydrophobicContact CD1-CB 3.98Å; L10-W55 HydrophobicContact CD1-CD2 3.56Å; L10-W55 HydrophobicContact CD1-CE3 3.57Å; L10-W55 HydrophobicContact CD1-CG 3.77Å; L10-W55 HydrophobicContact CD1-CZ3 4.22Å
11A86.6Confident81Confident11 Ų1165.6 Ų65.69%0.09134%0.336CS..SBendtrans-97.8148.7177.900000111.5Y9 K15 W134Y9-A11 VanDerWaalsContact C-N 3.26Å; Y9-A11 PolarHBondContact O-N 3.17Å; A11-K15 HydrophobicContact CB-CB 4.11Å; A11-K15 HydrophobicContact CB-CG 4.37Å; A11-W134 HydrophobicContact CB-CD2 3.81Å; A11-W134 HydrophobicContact CB-CG 4.04Å; A11-W134 HydrophobicContact CB-CZ2 4Å
12D86.5Confident83.6Confident67 Ų6755.6 Ų55.636%0.35829%0.285SS..  trans-60.1141.9167.9-69.2-40.3000109.5Y14 K15 V137D12-Y14 HydrophobicContact CB-CD1 3.45Å; D12-Y14 VanDerWaalsContact CB-CD1 3.45Å; D12-Y14 HydrophobicContact CB-CE1 3.2Å; D12-Y14 HydrophobicContact CB-CG 4.45Å; D12-Y14 PolarHBondContact O-N 2.76Å; D12-Y14 VanDerWaalsContact OD2-CE1 3.23Å; D12-Y14 WeakPolarHBondContact OD2-CE1 3.43Å; D12-Y14 PolarHBondContact OD2-OH 2.91Å; D12-K15 HydrophobicContact CB-CG 4.3Å; D12-K15 VanDerWaalsContact O-CB 3.27Å; D12-K15 WeakPolarHBondContact O-CB 3.41Å; D12-K15 PolarHBondContact O-N 3.13Å; D12-V137 HydrophobicContact CB-CG2 4.16Å; D12-V137 VanDerWaalsContact CG-CG2 3.44Å; D12-V137 WeakPolarHBondContact OD2-CG2 2.9Å
13S87.7Confident86Confident51 Ų5150.9 Ų50.936%0.35727%0.269SS..G310 helixtrans-53.2-36.7-17656.20000112.9K15 V16 H76 F77S13-K15 PolarHBondContact O-N 2.87Å; S13-V16 WeakPolarHBondContact O-CB 3.5Å; S13-V16 VanDerWaalsContact O-CG2 3.22Å; S13-V16 WeakPolarHBondContact O-CG2 3.47Å; S13-V16 PolarHBondContact O-N 3.4Å; S13-H76 VanDerWaalsContact CB-NE2 3.32Å; S13-H76 WeakPolarHBondContact CB-NE2 3.39Å; S13-F77 WeakPolarHBondContact O-CZ 3.27Å
14Y88Confident87.6Confident101 Ų10152 Ų5240%0.39628%0.276SS..G310 helixtrans-63.5-28.1179.373.7-92.4000113.4D12 V16 T17 H18D12-Y14 HydrophobicContact CB-CD1 3.45Å; D12-Y14 VanDerWaalsContact CB-CD1 3.45Å; D12-Y14 HydrophobicContact CB-CE1 3.2Å; D12-Y14 HydrophobicContact CB-CG 4.45Å; D12-Y14 PolarHBondContact O-N 2.76Å; D12-Y14 VanDerWaalsContact OD2-CE1 3.23Å; D12-Y14 WeakPolarHBondContact OD2-CE1 3.43Å; D12-Y14 PolarHBondContact OD2-OH 2.91Å; Y14-V16 PolarHBondContact O-N 3.17Å; Y14-T17 PolarHBondContact O-N 3.19Å; Y14-T17 PolarHBondContact O-OG1 3.19Å; Y14-H18 AromaticContact CD2-CE1 3.73Å; Y14-H18 AromaticContact CD2-NE2 3.19Å; Y14-H18 WeakPolarHBondContact CD2-NE2 3.12Å; Y14-H18 AromaticContact CE2-CE1 3.52Å; Y14-H18 AromaticContact CE2-NE2 3.48Å; Y14-H18 WeakPolarHBondContact CE2-NE2 3.37Å; Y14-H18 PolarHBondContact O-CD2 3.01Å
15K89.6Confident88.9Confident5 Ų556.2 Ų56.22%0.02230%0.295CS..G310 helixtrans-63.3-26175.4-61.2-61.8-164.8-156.90112.6A11 D12 S13 T17 H18 N133 E136 L193A11-K15 HydrophobicContact CB-CB 4.11Å; A11-K15 HydrophobicContact CB-CG 4.37Å; D12-K15 HydrophobicContact CB-CG 4.3Å; D12-K15 VanDerWaalsContact O-CB 3.27Å; D12-K15 WeakPolarHBondContact O-CB 3.41Å; D12-K15 PolarHBondContact O-N 3.13Å; S13-K15 PolarHBondContact O-N 2.87Å; K15-T17 PolarHBondContact O-N 3.4Å; K15-H18 WeakPolarHBondContact CD-ND1 3.36Å; K15-H18 WeakPolarHBondContact O-CB 3.32Å; K15-H18 PolarHBondContact O-N 3.34Å; K15-N133 VanDerWaalsContact CE-O 3.25Å; K15-N133 WeakPolarHBondContact CE-O 3.23Å; K15-E136 WeakPolarHBondContact CE-OE2 3.32Å; K15-E136 IonicContact NZ-OE2 2.72Å; K15-E136 PolarHBondContact NZ-OE2 3.47Å; K15-L193 VanDerWaalsContact NZ-CD2 3.31Å
16V90.2Very high89.3Confident0 Ų053.7 Ų53.70%028%0.281CS..G310 helixtrans-56.9-34.6178.8-178.50000111S13 Y14 Y19 Y73 F77 V82 F83 W134S13-V16 WeakPolarHBondContact O-CB 3.5Å; S13-V16 VanDerWaalsContact O-CG2 3.22Å; S13-V16 WeakPolarHBondContact O-CG2 3.47Å; S13-V16 PolarHBondContact O-N 3.4Å; Y14-V16 PolarHBondContact O-N 3.17Å; V16-Y19 VanDerWaalsContact O-CD1 3.27Å; V16-Y19 WeakPolarHBondContact O-CD1 3.23Å; V16-Y19 WeakPolarHBondContact O-CE1 3.27Å; V16-Y73 HydrophobicContact CG1-CD2 4.46Å; V16-Y73 HydrophobicContact CG1-CG 4.3Å; V16-Y73 HydrophobicContact CG2-CD1 3.85Å; V16-Y73 HydrophobicContact CG2-CD2 4.4Å; V16-Y73 HydrophobicContact CG2-CE1 3.51Å; V16-Y73 HydrophobicContact CG2-CE2 4.09Å; V16-Y73 HydrophobicContact CG2-CG 4.3Å; V16-F77 HydrophobicContact CB-CE2 4.06Å; V16-F77 HydrophobicContact CB-CZ 4.29Å; V16-F77 HydrophobicContact CG1-CE2 4.09Å; V16-F77 HydrophobicContact CG2-CE2 4.28Å; V16-V82 HydrophobicContact CG1-CG2 4.35Å; V16-F83 HydrophobicContact CG1-CB 4.19Å; V16-F83 HydrophobicContact CG1-CD2 4.06Å; V16-W134 HydrophobicContact CB-CH2 4.45Å; V16-W134 HydrophobicContact CG2-CH2 3.94Å; V16-W134 HydrophobicContact CG2-CZ3 4.41Å
17T90.8Very high89.5Confident35 Ų3557.1 Ų57.122%0.21530%0.303CS..G310 helixtrans-92.2-7.8-178680000114.2Y14 K15 Y19 N20 Q21 V82Y14-T17 PolarHBondContact O-N 3.19Å; Y14-T17 PolarHBondContact O-OG1 3.19Å; K15-T17 PolarHBondContact O-N 3.4Å; T17-Y19 VanDerWaalsContact C-N 3.27Å; T17-Y19 PolarHBondContact O-N 3.08Å; T17-N20 PolarHBondContact O-N 2.76Å; T17-Q21 PolarHBondContact OG1-NE2 2.81Å; T17-V82 HydrophobicContact CG2-CB 4Å; T17-V82 HydrophobicContact CG2-CG2 3.95Å
18H90.1Very high89.6Confident33 Ų3359 Ų5915%0.15332%0.316CS..G310 helixtrans-63.5-30.1-172.3-83.5-158.6000113.8Y14 K15 N20 Q21 Y22Y14-H18 AromaticContact CD2-CE1 3.73Å; Y14-H18 AromaticContact CD2-NE2 3.19Å; Y14-H18 WeakPolarHBondContact CD2-NE2 3.12Å; Y14-H18 AromaticContact CE2-CE1 3.52Å; Y14-H18 AromaticContact CE2-NE2 3.48Å; Y14-H18 WeakPolarHBondContact CE2-NE2 3.37Å; Y14-H18 PolarHBondContact O-CD2 3.01Å; K15-H18 WeakPolarHBondContact CD-ND1 3.36Å; K15-H18 WeakPolarHBondContact O-CB 3.32Å; K15-H18 PolarHBondContact O-N 3.34Å; H18-N20 PolarHBondContact O-N 3.45Å; H18-N20 VanDerWaalsContact O-N 3.13Å; H18-Q21 PolarHBondContact CD2-OE1 2.85Å; H18-Q21 WeakPolarHBondContact O-CB 3.22Å; H18-Q21 PolarHBondContact O-N 2.85Å; H18-Y22 HydrophobicContact CB-CE2 4.1Å; H18-Y22 WeakPolarHBondContact O-CD2 3.22Å; H18-Y22 WeakPolarHBondContact O-CE2 3.2Å; H18-Y22 PolarHBondContact O-N 3.35Å
19Y90.6Very high89.7Confident62 Ų6259.3 Ų59.324%0.24332%0.318CS..G310 helixtrans-56.8-31-179.277.3-74.3000112.5V16 T17 V82 N84V16-Y19 VanDerWaalsContact O-CD1 3.27Å; V16-Y19 WeakPolarHBondContact O-CD1 3.23Å; V16-Y19 WeakPolarHBondContact O-CE1 3.27Å; T17-Y19 VanDerWaalsContact C-N 3.27Å; T17-Y19 PolarHBondContact O-N 3.08Å; Y19-V82 WeakPolarHBondContact CE1-O 3.31Å; Y19-N84 HydrophobicContact CD1-CB 3.71Å; Y19-N84 HydrophobicContact CD2-CB 3.94Å; Y19-N84 VanDerWaalsContact CD2-CG 3.49Å; Y19-N84 HydrophobicContact CE1-CB 3.83Å; Y19-N84 HydrophobicContact CE2-CB 4.02Å; Y19-N84 HydrophobicContact CG-CB 3.77Å
20N90.6Very high89.8Confident114 Ų11460.6 Ų60.661%0.6132%0.323SS*.G310 helixtrans-84.8-7.6176-70.7-28.7000114.4T17 H18T17-N20 PolarHBondContact O-N 2.76Å; H18-N20 PolarHBondContact O-N 3.45Å; H18-N20 VanDerWaalsContact O-N 3.13Å
21Q91.9Very high90.1Very high122 Ų12259.6 Ų59.657%0.5732%0.319SS*.THydrogen-bonded Turntrans-100.7-13.1-175.2-61.1175.9-0.700112.7T17 H18T17-Q21 PolarHBondContact OG1-NE2 2.81Å; H18-Q21 PolarHBondContact CD2-OE1 2.85Å; H18-Q21 WeakPolarHBondContact O-CB 3.22Å; H18-Q21 PolarHBondContact O-N 2.85Å
22Y89.6Confident90.4Very high22 Ų2263.8 Ų63.89%0.08633%0.334CS..SBendtrans-67.1151.3174.2-71.8-81.7000111.2H18 I26 V29 W130 N133 W196H18-Y22 HydrophobicContact CB-CE2 4.1Å; H18-Y22 WeakPolarHBondContact O-CD2 3.22Å; H18-Y22 WeakPolarHBondContact O-CE2 3.2Å; H18-Y22 PolarHBondContact O-N 3.35Å; Y22-I26 HydrophobicContact CG-CG2 4.3Å; Y22-V29 HydrophobicContact CD1-CG2 4.13Å; Y22-V29 HydrophobicContact CE1-CG1 4.43Å; Y22-V29 HydrophobicContact CE1-CG2 3.73Å; Y22-W130 HydrophobicContact CD2-CB 4.03Å; Y22-W130 HydrophobicContact CE2-CB 3.66Å; Y22-N133 WeakPolarHBondContact OH-CB 3.49Å; Y22-N133 PolarHBondContact OH-ND2 2.87Å; Y22-W196 AromaticContact CD1-CH2 3.26Å; Y22-W196 HydrophobicContact CD1-CH2 3.26Å; Y22-W196 AromaticContact CD1-CZ3 3.25Å; Y22-W196 HydrophobicContact CD1-CZ3 3.25Å; Y22-W196 AromaticContact CE1-CH2 3.18Å; Y22-W196 HydrophobicContact CE1-CH2 3.18Å; Y22-W196 AromaticContact CE1-CZ3 3.25Å; Y22-W196 HydrophobicContact CE1-CZ3 3.25Å; Y22-W196 HydrophobicContact CG-CH2 4.38Å
23P90.5Very high90.6Very high69 Ų6961.6 Ų61.645%0.44832%0.321SS..PPolyproline II helixtrans-53.4142.9169.1-2433.8000111.1I26P23-I26 PolarHBondContact O-N 3.29Å
24P87.9Confident90.6Very high122 Ų12260.6 Ų60.679%0.79231%0.311SS*.THydrogen-bonded Turntrans-59.8146.7177.226.1-33.9000110.4I26P24-I26 VanDerWaalsContact C-N 3.26Å; P24-I26 PolarHBondContact O-N 2.86Å
25L88.5Confident90.4Very high171 Ų17156.2 Ų56.290%0.89530%0.295SS*.THydrogen-bonded Turntrans65.519.5179.8-50.1171.6000115.1T27L25-T27 PolarHBondContact O-N 2.82Å
26I90.8Very high90.1Very high37 Ų3760.7 Ų60.719%0.1931%0.312CS..  trans-63.4129.9171.6-163.469.9000110Y22 P23 P24 V29 A129 A198Y22-I26 HydrophobicContact CG-CG2 4.3Å; P23-I26 PolarHBondContact O-N 3.29Å; P24-I26 VanDerWaalsContact C-N 3.26Å; P24-I26 PolarHBondContact O-N 2.86Å; I26-V29 HydrophobicContact CG1-CG2 4.11Å; I26-A129 HydrophobicContact CG1-CB 4.5Å; I26-A129 HydrophobicContact CG2-CB 3.89Å; I26-A198 HydrophobicContact CD1-CB 3.77Å
27T92.1Very high89.6Confident76 Ų7662.9 Ų62.947%0.46633%0.334SS..  trans-112.4-22.7179.653.80000112.2L25 N123 P126L25-T27 PolarHBondContact O-N 2.82Å; T27-N123 PolarHBondContact O-ND2 3.06Å; T27-P126 HydrophobicContact CG2-CB 4.1Å; T27-P126 VanDerWaalsContact O-CA 3.31Å; T27-P126 WeakPolarHBondContact O-CA 3.29Å
28S92.2Very high88.9Confident42 Ų4264.5 Ų64.529%0.29436%0.357SS..  trans-143137.3-179.9-170.20000111.8N123S28-N123 VanDerWaalsContact CA-OD1 3.29Å; S28-N123 WeakPolarHBondContact CA-OD1 3.48Å
29V92.3Very high88.4Confident6 Ų671.5 Ų71.54%0.03639%0.387CS..  trans-126.4122.3171.5176.70000107.3Y22 I26 E122 N123 A129 T132Y22-V29 HydrophobicContact CD1-CG2 4.13Å; Y22-V29 HydrophobicContact CE1-CG1 4.43Å; Y22-V29 HydrophobicContact CE1-CG2 3.73Å; I26-V29 HydrophobicContact CG1-CG2 4.11Å; V29-E122 WeakPolarHBondContact O-CA 3Å; V29-N123 PolarHBondContact N-OD1 3.07Å; V29-N123 PolarHBondContact O-OD1 3.27Å; V29-A129 WeakPolarHBondContact CB-O 3.45Å; V29-A129 HydrophobicContact CG2-CB 4.14Å; V29-A129 VanDerWaalsContact CG2-O 3.24Å; V29-A129 WeakPolarHBondContact CG2-O 3.46Å; V29-T132 HydrophobicContact CB-CG2 4.46Å; V29-T132 HydrophobicContact CG1-CG2 4.01Å; V29-T132 WeakPolarHBondContact O-CG2 3.31Å; V29-T132 PolarHBondContact O-OG1 2.74Å
30Y93.3Very high87.8Confident81 Ų8171.9 Ų71.932%0.31839%0.391SS..EExtended strand (participates in β ladder)trans-113.6123.1177.1-172.1-83.8000109.8T120 E122Y30-T120 HydrophobicContact CE1-CG2 3.95Å; Y30-T120 VanDerWaalsContact CZ-CB 3.49Å; Y30-T120 WeakPolarHBondContact OH-CB 3.47Å; Y30-T120 WeakPolarHBondContact OH-CG2 3.31Å; Y30-T120 PolarHBondContact OH-OG1 3.27Å; Y30-E122 HydrophobicContact CD2-CB 3.72Å; Y30-E122 HydrophobicContact CD2-CG 4.45Å; Y30-E122 HydrophobicContact CE2-CB 4.33Å
31S92.4Very high87.5Confident24 Ų2473.3 Ų73.317%0.16839%0.393CS..EExtended strand (participates in β ladder)trans-122147.8179.1-71.10000110.4T120 V121 N133S31-T120 CarbonylContact O-C 3.57Å; S31-T120 WeakPolarHBondContact O-CA 3.43Å; S31-T120 WeakPolarHBondContact O-CB 3.34Å; S31-V121 PolarHBondContact N-O 3.29Å; S31-V121 PolarHBondContact O-N 3.48Å; S31-N133 PolarHBondContact OG-OD1 3.41Å
32Y92.5Very high87.1Confident99 Ų9971.5 Ų71.539%0.38839%0.385SS..EExtended strand (participates in β ladder)trans-129.6152.1176.575.7-84.3000110.5E34 R36 V117Y32-E34 HydrophobicContact CD2-CB 4.38Å; Y32-E34 HydrophobicContact CD2-CG 4.33Å; Y32-E34 HydrophobicContact CE2-CB 4.19Å; Y32-E34 HydrophobicContact CE2-CG 3.73Å; Y32-R36 PolarHBondContact OH-NH2 3.19Å; Y32-V117 HydrophobicContact CD2-CG2 4.33Å
33F90.5Very high86.9Confident21 Ų2170.9 Ų70.99%0.09238%0.383CS..EExtended strand (participates in β ladder)trans-112.1133.1177.1-170.8-74.4000110.3V117 L118 F119 L140 V143F33-V117 CarbonylContact O-C 3.55Å; F33-V117 WeakPolarHBondContact O-CA 3.48Å; F33-L118 HydrophobicContact CD1-CB 4.25Å; F33-L118 HydrophobicContact CD1-CD1 3.95Å; F33-L118 HydrophobicContact CD1-CG 4.36Å; F33-L118 HydrophobicContact CE1-CD1 4.04Å; F33-L118 PolarHBondContact O-N 3.26Å; F33-F119 HydrophobicContact CB-CD1 3.7Å; F33-F119 HydrophobicContact CB-CD2 4.05Å; F33-F119 HydrophobicContact CB-CE1 3.29Å; F33-F119 HydrophobicContact CB-CE2 3.66Å; F33-F119 HydrophobicContact CB-CG 4.05Å; F33-F119 HydrophobicContact CB-CZ 3.24Å; F33-F119 HydrophobicContact CD1-CD1 4.34Å; F33-F119 AromaticContact CD1-CE1 3.72Å; F33-F119 HydrophobicContact CD1-CE1 3.72Å; F33-F119 HydrophobicContact CD1-CZ 4.28Å; F33-F119 AromaticContact CD2-CE1 3.74Å; F33-F119 HydrophobicContact CD2-CE1 3.74Å; F33-F119 HydrophobicContact CD2-CE2 4.45Å; F33-F119 AromaticContact CD2-CZ 3.46Å; F33-F119 HydrophobicContact CD2-CZ 3.46Å; F33-F119 VanDerWaalsContact CD2-CZ 3.46Å; F33-F119 HydrophobicContact CE2-CZ 4.44Å; F33-F119 HydrophobicContact CG-CD1 4.04Å; F33-F119 AromaticContact CG-CE1 3.25Å; F33-F119 HydrophobicContact CG-CE1 3.25Å; F33-F119 HydrophobicContact CG-CE2 4.27Å; F33-F119 AromaticContact CG-CZ 3.37Å; F33-F119 HydrophobicContact CG-CZ 3.37Å; F33-F119 PolarHBondContact N-O 3.39Å; F33-L140 HydrophobicContact CE2-CD2 3.6Å; F33-L140 HydrophobicContact CE2-CG 4.22Å; F33-L140 HydrophobicContact CZ-CD2 4.32Å; F33-V143 HydrophobicContact CD1-CG2 3.97Å; F33-V143 HydrophobicContact CE1-CB 4.04Å; F33-V143 HydrophobicContact CE1-CG1 4.36Å; F33-V143 HydrophobicContact CE1-CG2 3.09Å; F33-V143 HydrophobicContact CE2-CG2 4.16Å; F33-V143 HydrophobicContact CZ-CB 3.73Å; F33-V143 HydrophobicContact CZ-CG1 4.23Å; F33-V143 HydrophobicContact CZ-CG2 3.19Å
34E87.9Confident86.7Confident30 Ų3069 Ų6914%0.1437%0.371CS..EExtended strand (participates in β ladder)trans-144.2159.417364.8171.8-179.900111.1Y32 R36 N116 F191Y32-E34 HydrophobicContact CD2-CB 4.38Å; Y32-E34 HydrophobicContact CD2-CG 4.33Å; Y32-E34 HydrophobicContact CE2-CB 4.19Å; Y32-E34 HydrophobicContact CE2-CG 3.73Å; E34-R36 HydrophobicContact CG-CG 3.95Å; E34-R36 WeakPolarHBondContact OE1-CD 3.3Å; E34-R36 WeakPolarHBondContact OE1-CG 3.38Å; E34-R36 IonicContact OE1-CZ 3.33Å; E34-R36 IonicContact OE1-NE 2.96Å; E34-R36 PolarHBondContact OE1-NE 3.33Å; E34-R36 IonicContact OE1-NH2 2.68Å; E34-N116 VanDerWaalsContact CB-O 3.23Å; E34-N116 WeakPolarHBondContact CB-O 3.07Å; E34-F191 WeakPolarHBondContact O-CE1 3.29Å; E34-F191 WeakPolarHBondContact O-CZ 3.45Å
35C84.9Confident86.7Confident10 Ų1063.2 Ų63.27%0.06833%0.334CS..  trans-92109.8166.6-68.70000109.4G37 V43 Y114 K115C35-G37 VanDerWaalsContact C-N 3.35Å; C35-G37 PolarHBondContact O-N 3.45Å; C35-V43 HydrophobicContact CB-CG2 3.93Å; C35-Y114 CarbonylContact O-C 3.54Å; C35-Y114 WeakPolarHBondContact O-CB 3.42Å; C35-K115 PolarHBondContact O-N 3.01Å
36R82.3Confident86.6Confident99 Ų9960.8 Ų60.837%0.37432%0.316SS..  trans-81.5-7-176.4-81177.2-171167.86.5115.6Y32 E34 F191 F192Y32-R36 PolarHBondContact OH-NH2 3.19Å; E34-R36 HydrophobicContact CG-CG 3.95Å; E34-R36 WeakPolarHBondContact OE1-CD 3.3Å; E34-R36 WeakPolarHBondContact OE1-CG 3.38Å; E34-R36 IonicContact OE1-CZ 3.33Å; E34-R36 IonicContact OE1-NE 2.96Å; E34-R36 PolarHBondContact OE1-NE 3.33Å; E34-R36 IonicContact OE1-NH2 2.68Å; R36-F191 HydrophobicContact CB-CE1 3.67Å; R36-F191 HydrophobicContact CB-CZ 3.93Å; R36-F191 HydrophobicContact CG-CD1 4.21Å; R36-F191 HydrophobicContact CG-CE1 3.44Å; R36-F191 VanDerWaalsContact CG-CE1 3.44Å; R36-F191 HydrophobicContact CG-CZ 4.15Å; R36-F192 PolarHBondContact NH1-O 2.72Å
37G79.3Confident86.4Confident45 Ų4559.2 Ų59.246%0.46431%0.31SS..  trans172-179.3-169.100000111.6C35C35-G37 VanDerWaalsContact C-N 3.35Å; C35-G37 PolarHBondContact O-N 3.45Å
38G77.2Confident86.4Confident69 Ų6955.9 Ų55.971%0.71129%0.289SS*.  trans141.9-174.1176.100000111.4F40G38-F40 PolarHBondContact O-N 3.25Å
39K78.3Confident86.3Confident180 Ų18059.1 Ų59.178%0.78330%0.299SS*.SBendtrans-66.8-21.4177.3-174.6170.2-179.31710113.1
40F78.8Confident86.1Confident71 Ų7162.6 Ų62.631%0.31131%0.312SS..  trans-120.9139.6-173.7-52.8-73.6000110.5G38 Q42 V147G38-F40 PolarHBondContact O-N 3.25Å; F40-Q42 VanDerWaalsContact C-N 3.26Å; F40-Q42 PolarHBondContact O-N 3.29Å; F40-V147 HydrophobicContact CD2-CG1 3.96Å; F40-V147 HydrophobicContact CE2-CG1 4.24Å
41E83.9Confident85.9Confident143 Ų14359.2 Ų59.267%0.66830%0.3SS*.SBendtrans-77.4-13.9178.6-61.3-177.1162.700112.9P113 Y114E41-P113 WeakPolarHBondContact O-CA 3.45Å; E41-Y114 WeakPolarHBondContact O-CD1 3.46Å; E41-Y114 PolarHBondContact O-N 2.93Å
42Q84.5Confident85.8Confident84 Ų8459.9 Ų59.939%0.39330%0.301SS..EExtended strand (participates in β ladder)trans-136.9147.6-178.8-60.4177.61700110.8F40 V111 I112 R150F40-Q42 VanDerWaalsContact C-N 3.26Å; F40-Q42 PolarHBondContact O-N 3.29Å; Q42-V111 HydrophobicContact CB-CG1 4.29Å; Q42-I112 CarbonylContact C-O 3.27Å; Q42-I112 WeakPolarHBondContact CA-O 3.35Å; Q42-R150 PolarHBondContact O-NH1 3.22Å
43V85Confident85.6Confident9 Ų961.7 Ų61.76%0.05531%0.311CS..EExtended strand (participates in β ladder)trans-124.1138.4-178.8-178.50000109.3C35 I112 A146 V147C35-V43 HydrophobicContact CB-CG2 3.93Å; V43-I112 PolarHBondContact N-O 2.84Å; V43-I112 PolarHBondContact O-N 3.46Å; V43-A146 HydrophobicContact CG1-CB 4.06Å; V43-V147 HydrophobicContact CG1-CG2 3.85Å; V43-V147 HydrophobicContact CG2-CG2 4.25Å
44C86.4Confident85.5Confident29 Ų2965.3 Ų65.320%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-89.2112.2171.1-177.40000108.1F46 S110 A146C44-F46 PolarHBondContact O-N 2.98Å; C44-S110 CarbonylContact C-O 3.59Å; C44-S110 WeakPolarHBondContact CA-O 3.45Å; C44-A146 WeakPolarHBondContact O-CA 3.25Å; C44-A146 WeakPolarHBondContact O-CB 3.24Å
45F87.8Confident85.6Confident1 Ų166.2 Ų66.20%0.00433%0.326CS..  trans-76116.1-178.4180-113.8000110.9L48 A105 V106 E108 G109 S110 L118 F119 V142F45-L48 HydrophobicContact CE1-CB 4.31Å; F45-L48 HydrophobicContact CE1-CD2 4.33Å; F45-L48 HydrophobicContact CE2-CB 4.37Å; F45-L48 HydrophobicContact CZ-CB 3.67Å; F45-L48 HydrophobicContact CZ-CD2 3.69Å; F45-L48 HydrophobicContact CZ-CG 4.26Å; F45-A105 HydrophobicContact CE1-CB 3.97Å; F45-A105 HydrophobicContact CZ-CB 4.13Å; F45-V106 HydrophobicContact CB-CG2 3.82Å; F45-V106 HydrophobicContact CD1-CG2 3.33Å; F45-V106 VanDerWaalsContact CD1-O 3.27Å; F45-V106 WeakPolarHBondContact CD1-O 3.37Å; F45-V106 HydrophobicContact CE1-CG2 3.98Å; F45-V106 WeakPolarHBondContact CE1-O 3.33Å; F45-V106 HydrophobicContact CG-CG2 3.63Å; F45-E108 HydrophobicContact CD1-CG 4.14Å; F45-E108 HydrophobicContact CE1-CG 4.04Å; F45-E108 CarbonylContact O-C 3.58Å; F45-E108 VanDerWaalsContact O-CA 3.29Å; F45-E108 WeakPolarHBondContact O-CA 3.25Å; F45-G109 PolarHBondContact O-N 3.17Å; F45-S110 PolarHBondContact N-O 2.8Å; F45-L118 HydrophobicContact CB-CD2 4.5Å; F45-L118 HydrophobicContact CD2-CB 3.85Å; F45-L118 HydrophobicContact CD2-CD1 4Å; F45-L118 HydrophobicContact CD2-CG 4.38Å; F45-L118 HydrophobicContact CE2-CB 4Å; F45-L118 HydrophobicContact CG-CB 4.48Å; F45-F119 AromaticContact CE2-CD1 3.76Å; F45-F119 HydrophobicContact CE2-CD1 3.76Å; F45-F119 HydrophobicContact CE2-CE1 4.34Å; F45-F119 HydrophobicContact CZ-CB 4.48Å; F45-F119 AromaticContact CZ-CD1 3.98Å; F45-F119 HydrophobicContact CZ-CD1 3.98Å; F45-V142 HydrophobicContact CE2-CG1 4.02Å
46F87.1Confident85.9Confident120 Ų12066.5 Ų66.553%0.52633%0.327SS..  trans-156.2149.5179.9-171-98.3000111.4C44 E108 V142C44-F46 PolarHBondContact O-N 2.98Å; F46-E108 HydrophobicContact CD2-CB 4.06Å; F46-E108 VanDerWaalsContact CD2-OE2 3.28Å; F46-E108 WeakPolarHBondContact CD2-OE2 3.39Å; F46-V142 WeakPolarHBondContact O-CG1 3.48Å
47G86.4Confident86.4Confident5 Ų566.3 Ų66.35%0.05234%0.337CS..  trans103.2-4.917200000115.9Y50 I51 E108G47-Y50 PolarHBondContact O-N 3.24Å; G47-I51 PolarHBondContact O-N 3.38Å; G47-E108 PolarHBondContact N-OE2 3.48Å
48L90.3Very high87Confident6 Ų665.9 Ų65.93%0.03133%0.332CS..Hα-helixtrans-63.6-44.3-179.7177.162.7000111.1F45 Y50 I51 L52 I103 A105 E108 F119 V142F45-L48 HydrophobicContact CE1-CB 4.31Å; F45-L48 HydrophobicContact CE1-CD2 4.33Å; F45-L48 HydrophobicContact CE2-CB 4.37Å; F45-L48 HydrophobicContact CZ-CB 3.67Å; F45-L48 HydrophobicContact CZ-CD2 3.69Å; F45-L48 HydrophobicContact CZ-CG 4.26Å; L48-Y50 VanDerWaalsContact C-N 3.26Å; L48-Y50 PolarHBondContact O-N 3.01Å; L48-I51 PolarHBondContact O-N 2.66Å; L48-I51 VanDerWaalsContact O-N 3.08Å; L48-L52 HydrophobicContact CD1-CD1 4.21Å; L48-L52 HydrophobicContact CD1-CD2 4.03Å; L48-L52 HydrophobicContact CD1-CG 3.89Å; L48-L52 HydrophobicContact CD2-CD1 4.21Å; L48-L52 HydrophobicContact CG-CD1 3.83Å; L48-L52 HydrophobicContact CG-CG 3.95Å; L48-L52 WeakPolarHBondContact O-CG 3.24Å; L48-L52 PolarHBondContact O-N 3.48Å; L48-I103 HydrophobicContact CD2-CG2 4.23Å; L48-A105 HydrophobicContact CD2-CB 3.55Å; L48-E108 WeakPolarHBondContact CA-OE1 3.49Å; L48-E108 WeakPolarHBondContact CB-OE1 3.44Å; L48-E108 PolarHBondContact N-OE1 3.41Å; L48-F119 HydrophobicContact CD2-CB 4.21Å; L48-F119 HydrophobicContact CD2-CG 4.29Å; L48-V142 HydrophobicContact CB-CG1 4.04Å; L48-V142 HydrophobicContact CB-CG2 4.24Å; L48-V142 HydrophobicContact CD1-CG2 3.92Å
49Q90.7Very high87.8Confident109 Ų10968.8 Ų68.851%0.50933%0.327SS..Hα-helixtrans-57.2-39.7-177.7-175.4-177.7-66.100111.8K53 E108Q49-K53 HydrophobicContact CG-CD 4.05Å; Q49-K53 WeakPolarHBondContact O-CB 3.27Å; Q49-K53 WeakPolarHBondContact O-CG 3.33Å; Q49-K53 PolarHBondContact O-N 3.48Å; Q49-E108 VanDerWaalsContact CB-OE1 3.3Å; Q49-E108 WeakPolarHBondContact CB-OE1 3.49Å; Q49-E108 PolarHBondContact N-OE1 3.48Å
50Y89.2Confident88.4Confident79 Ų7961.3 Ų61.331%0.3130%0.296SS..Hα-helixtrans-62.6-50.4175.9170.4-104.8000110.8G47 L48 L52 K53 R54 F165 I168G47-Y50 PolarHBondContact O-N 3.24Å; L48-Y50 VanDerWaalsContact C-N 3.26Å; L48-Y50 PolarHBondContact O-N 3.01Å; Y50-L52 VanDerWaalsContact C-N 3.34Å; Y50-L52 PolarHBondContact O-N 3.24Å; Y50-K53 PolarHBondContact O-N 3.03Å; Y50-R54 VanDerWaalsContact O-CB 3.27Å; Y50-R54 WeakPolarHBondContact O-CB 3.43Å; Y50-R54 PolarHBondContact O-N 3.16Å; Y50-F165 HydrophobicContact CE1-CD1 4.42Å; Y50-F165 HydrophobicContact CE1-CE1 4.22Å; Y50-F165 HydrophobicContact CE1-CZ 4.33Å; Y50-F165 WeakPolarHBondContact OH-CD1 3.4Å; Y50-F165 WeakPolarHBondContact OH-CE1 3.48Å; Y50-I168 HydrophobicContact CE2-CD1 4.4Å
51I88.2Confident89.2Confident11 Ų1158.1 Ų58.16%0.05628%0.283CS..Hα-helixtrans-60.5-44.7179.7-64.5-154.2000111.1G47 L48 R54 W55 C138 N141 V142G47-I51 PolarHBondContact O-N 3.38Å; L48-I51 PolarHBondContact O-N 2.66Å; L48-I51 VanDerWaalsContact O-N 3.08Å; I51-R54 PolarHBondContact O-N 2.84Å; I51-W55 PolarHBondContact O-N 3.2Å; I51-C138 VanDerWaalsContact CD1-O 3.23Å; I51-C138 WeakPolarHBondContact CD1-O 3.33Å; I51-C138 WeakPolarHBondContact CG2-SG 3.4Å; I51-N141 HydrophobicContact CD1-CB 3.94Å; I51-V142 HydrophobicContact CB-CG2 4.31Å; I51-V142 HydrophobicContact CD1-CG2 3.64Å; I51-V142 HydrophobicContact CG1-CG2 4.08Å
52L90.3Very high89.7Confident37 Ų3755 Ų5519%0.19427%0.271CS..Hα-helixtrans-60.4-51.6178.2-65.3-176.7000111.5L48 Y50 R54 W55 M56 V57 I103L48-L52 HydrophobicContact CD1-CD1 4.21Å; L48-L52 HydrophobicContact CD1-CD2 4.03Å; L48-L52 HydrophobicContact CD1-CG 3.89Å; L48-L52 HydrophobicContact CD2-CD1 4.21Å; L48-L52 HydrophobicContact CG-CD1 3.83Å; L48-L52 HydrophobicContact CG-CG 3.95Å; L48-L52 WeakPolarHBondContact O-CG 3.24Å; L48-L52 PolarHBondContact O-N 3.48Å; Y50-L52 VanDerWaalsContact C-N 3.34Å; Y50-L52 PolarHBondContact O-N 3.24Å; L52-R54 VanDerWaalsContact C-N 3.28Å; L52-R54 PolarHBondContact O-N 3.11Å; L52-W55 PolarHBondContact O-N 3.4Å; L52-M56 HydrophobicContact CD2-CB 4.27Å; L52-M56 HydrophobicContact CD2-CE 4.5Å; L52-M56 HydrophobicContact CD2-CG 4.39Å; L52-M56 HydrophobicContact CD2-SD 3.55Å; L52-M56 VanDerWaalsContact CD2-SD 3.55Å; L52-M56 CarbonylContact O-C 3.36Å; L52-M56 WeakPolarHBondContact O-CA 3.4Å; L52-M56 PolarHBondContact O-N 3.41Å; L52-V57 HydrophobicContact CB-CG2 4.29Å; L52-V57 WeakPolarHBondContact O-CG2 3.44Å; L52-V57 PolarHBondContact O-N 3Å; L52-I103 HydrophobicContact CD2-CD1 3.44Å; L52-I103 VanDerWaalsContact CD2-CD1 3.44Å
53K89.6Confident90.2Very high138 Ų13854.1 Ų54.160%0.627%0.266SS*.Hα-helixtrans-64.3-32.8-178.7-74.9179.2175.2177.10112.7Q49 Y50Q49-K53 HydrophobicContact CG-CD 4.05Å; Q49-K53 WeakPolarHBondContact O-CB 3.27Å; Q49-K53 WeakPolarHBondContact O-CG 3.33Å; Q49-K53 PolarHBondContact O-N 3.48Å; Y50-K53 PolarHBondContact O-N 3.03Å
54R88.4Confident90.7Very high96 Ų9656.9 Ų56.936%0.36229%0.291SS..Hα-helixtrans-80.4-32.1-177.5-176.456.6177.780.7-2113.7D5 Y50 I51 L52D5-R54 IonicContact OD1-CZ 3.04Å; D5-R54 IonicContact OD1-NH1 2.81Å; D5-R54 IonicContact OD1-NH2 2.66Å; D5-R54 PolarHBondContact OD1-NH2 3.43Å; D5-R54 IonicContact OD2-CZ 3.97Å; D5-R54 IonicContact OD2-NH1 3.9Å; D5-R54 IonicContact OD2-NH2 3.38Å; D5-R54 PolarHBondContact OD2-NH2 3.09Å; Y50-R54 VanDerWaalsContact O-CB 3.27Å; Y50-R54 WeakPolarHBondContact O-CB 3.43Å; Y50-R54 PolarHBondContact O-N 3.16Å; I51-R54 PolarHBondContact O-N 2.84Å; L52-R54 VanDerWaalsContact C-N 3.28Å; L52-R54 PolarHBondContact O-N 3.11Å
55W89.3Confident91.1Very high49 Ų4956.8 Ų56.819%0.18629%0.288CS..Hα-helixtrans-130.8-15.2-166.6-59.6113.4000115.9D5 V7 L10 I51 L52D5-W55 WeakPolarHBondContact OD1-CH2 3.46Å; V7-W55 WeakPolarHBondContact CG2-O 3.42Å; L10-W55 HydrophobicContact CD1-CB 3.98Å; L10-W55 HydrophobicContact CD1-CD2 3.56Å; L10-W55 HydrophobicContact CD1-CE3 3.57Å; L10-W55 HydrophobicContact CD1-CG 3.77Å; L10-W55 HydrophobicContact CD1-CZ3 4.22Å; I51-W55 PolarHBondContact O-N 3.2Å; L52-W55 PolarHBondContact O-N 3.4Å
56M91.3Very high91.5Very high17 Ų1756.8 Ų56.88%0.08429%0.287CS..THydrogen-bonded Turntrans-128-17.1-168.8-57.5-175.170.100114.6L52 L99 L101 I103 F135L52-M56 HydrophobicContact CD2-CB 4.27Å; L52-M56 HydrophobicContact CD2-CE 4.5Å; L52-M56 HydrophobicContact CD2-CG 4.39Å; L52-M56 HydrophobicContact CD2-SD 3.55Å; L52-M56 VanDerWaalsContact CD2-SD 3.55Å; L52-M56 CarbonylContact O-C 3.36Å; L52-M56 WeakPolarHBondContact O-CA 3.4Å; L52-M56 PolarHBondContact O-N 3.41Å; M56-L99 HydrophobicContact CB-CD1 4.07Å; M56-L99 HydrophobicContact CE-CD1 4.33Å; M56-L99 HydrophobicContact CG-CD1 4.24Å; M56-L101 HydrophobicContact CE-CD1 3.68Å; M56-I103 HydrophobicContact CE-CD1 3.68Å; M56-I103 HydrophobicContact SD-CD1 4.18Å; M56-F135 HydrophobicContact CE-CB 3.84Å; M56-F135 HydrophobicContact CE-CD1 3.84Å; M56-F135 HydrophobicContact CE-CD2 4.21Å; M56-F135 HydrophobicContact CE-CE1 4.48Å; M56-F135 HydrophobicContact CE-CG 3.68Å; M56-F135 HydrophobicContact CG-CD1 4Å; M56-F135 HydrophobicContact CG-CE1 4.14Å; M56-F135 HydrophobicContact SD-CB 4.39Å; M56-F135 HydrophobicContact SD-CD1 4.01Å; M56-F135 HydrophobicContact SD-CG 4.35Å
57V91.3Very high91.9Very high95 Ų9554.9 Ų54.958%0.57628%0.283SS*.SBendtrans-97.7133.3-177.8174.80000110.3L52L52-V57 HydrophobicContact CB-CG2 4.29Å; L52-V57 WeakPolarHBondContact O-CG2 3.44Å; L52-V57 PolarHBondContact O-N 3Å
58G92.7Very high92.2Very high36 Ų3659.5 Ų59.537%0.37130%0.303SS..SBendtrans88.5-160.3179.800000112.7V60 M98G58-V60 PolarHBondContact O-N 3.45Å; G58-M98 WeakPolarHBondContact O-CA 3.23Å; G58-M98 WeakPolarHBondContact O-CG 3.28Å
59Q93.3Very high92.4Very high130 Ų13059.2 Ų59.261%0.60730%0.302SS*.  trans-8198.5178-58.4-175.9-4200109N96 M98Q59-N96 WeakPolarHBondContact CG-O 3.37Å; Q59-N96 PolarHBondContact NE2-ND2 3.32Å; Q59-N96 PolarHBondContact NE2-O 2.93Å; Q59-N96 PolarHBondContact NE2-OD1 2.81Å; Q59-N96 VanDerWaalsContact NE2-OD1 3.13Å; Q59-M98 HydrophobicContact CG-CG 4.35Å
60V92.9Very high92.6Very high22 Ų2256.5 Ų56.513%0.13329%0.288CS..  trans-106.2-8.9-173.8-61.80000113V7 G58 M65 G97 L99V7-V60 HydrophobicContact CG1-CB 4.36Å; V7-V60 HydrophobicContact CG1-CG2 4.37Å; V7-V60 WeakPolarHBondContact CG1-O 3.09Å; G58-V60 PolarHBondContact O-N 3.45Å; V60-M65 VanDerWaalsContact O-CE 3.27Å; V60-M65 WeakPolarHBondContact O-CE 3.36Å; V60-G97 PolarHBondContact N-O 3.36Å; V60-L99 HydrophobicContact CG2-CD1 3.79Å; V60-L99 HydrophobicContact CG2-CD2 3.91Å; V60-L99 HydrophobicContact CG2-CG 3.53Å
61V94.1Very high92.8Very high5 Ų557.2 Ų57.23%0.0329%0.294CS..  trans-130.8139.7175.8-175.90000110.3V7 L8 I66 W88 V92 G97V7-V61 HydrophobicContact CG1-CG2 3.44Å; V7-V61 VanDerWaalsContact CG1-CG2 3.44Å; L8-V61 HydrophobicContact CD1-CB 4.4Å; L8-V61 HydrophobicContact CD1-CG1 3.86Å; L8-V61 HydrophobicContact CD1-CG2 3.72Å; V61-I66 HydrophobicContact CG1-CD1 3.93Å; V61-I66 HydrophobicContact CG1-CG1 3.8Å; V61-W88 HydrophobicContact CB-CE3 4.49Å; V61-W88 HydrophobicContact CG1-CE3 4.1Å; V61-W88 HydrophobicContact CG2-CE3 3.88Å; V61-W88 HydrophobicContact CG2-CZ3 3.58Å; V61-V92 HydrophobicContact CB-CG2 4.22Å; V61-V92 HydrophobicContact CG1-CG2 3.67Å; V61-G97 PolarHBondContact N-O 2.97Å; V61-G97 WeakPolarHBondContact O-CA 3.26Å
62N95.3Very high93Very high78 Ų7861.3 Ų61.342%0.41731%0.312SS..  trans-135.7169.8169.464.552.2000110.3A64 M65 I66N62-A64 VanDerWaalsContact C-N 3.31Å; N62-A64 PolarHBondContact O-N 3.14Å; N62-A64 WeakPolarHBondContact OD1-CB 3.39Å; N62-A64 PolarHBondContact OD1-N 2.68Å; N62-A64 VanDerWaalsContact OD1-N 3.08Å; N62-M65 PolarHBondContact ND2-SD 3.4Å; N62-M65 PolarHBondContact O-N 2.97Å; N62-M65 VanDerWaalsContact OD1-CG 3.31Å; N62-M65 WeakPolarHBondContact OD1-CG 3.35Å; N62-M65 PolarHBondContact OD1-N 2.99Å; N62-I66 WeakPolarHBondContact O-CG1 3.33Å; N62-I66 PolarHBondContact O-N 3.05Å
63H95.4Very high93.2Very high64 Ų6459.9 Ų59.930%0.29630%0.304SS..Hα-helixtrans-59.4-37.7-177.8-75.6-63.9000113.5M65 I66 D67 R89 V92 D93H63-M65 PolarHBondContact O-N 3.02Å; H63-I66 WeakPolarHBondContact O-CB 3.36Å; H63-I66 PolarHBondContact O-N 3.33Å; H63-I66 VanDerWaalsContact O-N 3.17Å; H63-D67 VanDerWaalsContact O-CG 3.29Å; H63-D67 PolarHBondContact O-N 3.15Å; H63-R89 PolarHBondContact ND1-NH1 3.39Å; H63-V92 WeakPolarHBondContact NE2-CG1 3.3Å; H63-D93 IonicContact CE1-OD1 3.84Å; H63-D93 PolarHBondContact CE1-OD1 3.13Å; H63-D93 IonicContact CE1-OD2 2.76Å; H63-D93 IonicContact NE2-OD1 2.7Å; H63-D93 PolarHBondContact NE2-OD1 2.97Å
64A94.9Very high93.4Very high68 Ų6857.4 Ų57.456%0.56229%0.293SS*.Hα-helixtrans-65.2-39.3179.300000112.2N62 I66 D67 E68N62-A64 VanDerWaalsContact C-N 3.31Å; N62-A64 PolarHBondContact O-N 3.14Å; N62-A64 WeakPolarHBondContact OD1-CB 3.39Å; N62-A64 PolarHBondContact OD1-N 2.68Å; N62-A64 VanDerWaalsContact OD1-N 3.08Å; A64-I66 VanDerWaalsContact C-N 3.27Å; A64-I66 PolarHBondContact O-N 2.96Å; A64-D67 PolarHBondContact O-N 2.7Å; A64-E68 PolarHBondContact O-N 2.96Å
65M94.8Very high93.7Very high27 Ų2759.1 Ų59.113%0.13331%0.305CS..Hα-helixtrans-63.9-33.3175-66.7168.179.700112.2N6 V7 V60 N62 H63 A69N6-M65 HydrophobicContact CB-CE 3.93Å; N6-M65 PolarHBondContact ND2-O 3.15Å; N6-M65 VanDerWaalsContact OD1-CE 3.23Å; N6-M65 WeakPolarHBondContact OD1-CE 3.38Å; V7-M65 HydrophobicContact CG1-CE 4.43Å; V60-M65 VanDerWaalsContact O-CE 3.27Å; V60-M65 WeakPolarHBondContact O-CE 3.36Å; N62-M65 PolarHBondContact ND2-SD 3.4Å; N62-M65 PolarHBondContact O-N 2.97Å; N62-M65 VanDerWaalsContact OD1-CG 3.31Å; N62-M65 WeakPolarHBondContact OD1-CG 3.35Å; N62-M65 PolarHBondContact OD1-N 2.99Å; H63-M65 PolarHBondContact O-N 3.02Å; M65-A69 VanDerWaalsContact O-CB 3.22Å; M65-A69 WeakPolarHBondContact O-CB 3.46Å; M65-A69 PolarHBondContact O-N 3.43Å
66I95.6Very high93.8Very high0 Ų061.5 Ų61.50%032%0.318CS..Hα-helixtrans-70.4-45.1176.5-63.8171.3000110.1L8 V61 N62 H63 A64 E68 A69 K70 F83 E85 W88 R89 V92L8-I66 HydrophobicContact CD2-CG1 4.25Å; V61-I66 HydrophobicContact CG1-CD1 3.93Å; V61-I66 HydrophobicContact CG1-CG1 3.8Å; N62-I66 WeakPolarHBondContact O-CG1 3.33Å; N62-I66 PolarHBondContact O-N 3.05Å; H63-I66 WeakPolarHBondContact O-CB 3.36Å; H63-I66 PolarHBondContact O-N 3.33Å; H63-I66 VanDerWaalsContact O-N 3.17Å; A64-I66 VanDerWaalsContact C-N 3.27Å; A64-I66 PolarHBondContact O-N 2.96Å; I66-E68 VanDerWaalsContact C-N 3.33Å; I66-E68 PolarHBondContact O-N 3.45Å; I66-A69 PolarHBondContact O-N 2.86Å; I66-K70 WeakPolarHBondContact O-CB 3.31Å; I66-K70 PolarHBondContact O-N 3.13Å; I66-F83 HydrophobicContact CG2-CE1 3.91Å; I66-F83 HydrophobicContact CG2-CZ 4.44Å; I66-E85 HydrophobicContact CG2-CG 3.94Å; I66-W88 HydrophobicContact CD1-CB 3.74Å; I66-W88 HydrophobicContact CG1-CB 3.93Å; I66-W88 HydrophobicContact CG2-CB 4.4Å; I66-R89 HydrophobicContact CD1-CG 4.01Å; I66-R89 HydrophobicContact CG2-CG 4.26Å; I66-V92 HydrophobicContact CD1-CG2 3.58Å
67D95.3Very high93.9Very high81 Ų8163.1 Ų63.143%0.43333%0.325SS..Hα-helixtrans-60.6-45.1178.6-64.9-28.4000110.9H63 A64 K70 E71 R89H63-D67 VanDerWaalsContact O-CG 3.29Å; H63-D67 PolarHBondContact O-N 3.15Å; A64-D67 PolarHBondContact O-N 2.7Å; D67-K70 PolarHBondContact O-N 2.88Å; D67-E71 PolarHBondContact O-N 3.41Å; D67-R89 IonicContact OD1-CZ 3.59Å; D67-R89 IonicContact OD1-NH1 3.7Å; D67-R89 IonicContact OD1-NH2 2.69Å; D67-R89 PolarHBondContact OD1-NH2 3.37Å
68E94Very high93.9Very high101 Ų10162.1 Ų62.147%0.47233%0.334SS..Hα-helixtrans-62.6-48176.2-162.5-159140.200111.6Y9 A64 I66 K70 E71 F72Y9-E68 VanDerWaalsContact OH-CD 3.26Å; Y9-E68 WeakPolarHBondContact OH-CG 3.44Å; Y9-E68 PolarHBondContact OH-OE1 3.47Å; A64-E68 PolarHBondContact O-N 2.96Å; I66-E68 VanDerWaalsContact C-N 3.33Å; I66-E68 PolarHBondContact O-N 3.45Å; E68-K70 VanDerWaalsContact C-N 3.33Å; E68-K70 PolarHBondContact O-N 2.89Å; E68-E71 PolarHBondContact O-N 2.93Å; E68-F72 PolarHBondContact O-N 3.25Å
69A93.5Very high93.8Very high0 Ų062.6 Ų62.60%034%0.339CS..Hα-helixtrans-65.3-36.7-178.800000112.4L8 Y9 M65 I66 F72 Y73 F83L8-A69 HydrophobicContact CB-CB 3.87Å; L8-A69 HydrophobicContact CD2-CB 3.41Å; L8-A69 VanDerWaalsContact CD2-CB 3.41Å; L8-A69 HydrophobicContact CG-CB 4.29Å; Y9-A69 HydrophobicContact CE1-CB 3.85Å; M65-A69 VanDerWaalsContact O-CB 3.22Å; M65-A69 WeakPolarHBondContact O-CB 3.46Å; M65-A69 PolarHBondContact O-N 3.43Å; I66-A69 PolarHBondContact O-N 2.86Å; A69-F72 PolarHBondContact O-N 2.99Å; A69-Y73 HydrophobicContact CB-CD2 4.31Å; A69-Y73 HydrophobicContact CB-CE2 4.29Å; A69-Y73 WeakPolarHBondContact O-CB 3.38Å; A69-Y73 WeakPolarHBondContact O-CD2 3.43Å; A69-Y73 PolarHBondContact O-N 3.36Å; A69-F83 HydrophobicContact CB-CE2 4.4Å; A69-F83 HydrophobicContact CB-CZ 4.23Å
70K94.3Very high93.6Very high52 Ų5261.8 Ų61.823%0.22634%0.338CS..Hα-helixtrans-59.8-49.2175.3-179.4177-177.3172.70111I66 D67 E68 Y73 K74 D81 F83 E85I66-K70 WeakPolarHBondContact O-CB 3.31Å; I66-K70 PolarHBondContact O-N 3.13Å; D67-K70 PolarHBondContact O-N 2.88Å; E68-K70 VanDerWaalsContact C-N 3.33Å; E68-K70 PolarHBondContact O-N 2.89Å; K70-Y73 PolarHBondContact O-N 3.39Å; K70-K74 VanDerWaalsContact O-CB 3.26Å; K70-K74 WeakPolarHBondContact O-CB 3.48Å; K70-K74 PolarHBondContact O-N 2.96Å; K70-D81 WeakPolarHBondContact CE-OD1 3.13Å; K70-D81 VanDerWaalsContact CE-OD2 3.29Å; K70-D81 WeakPolarHBondContact CE-OD2 3.22Å; K70-D81 IonicContact NZ-OD2 3.97Å; K70-D81 PolarHBondContact NZ-OD2 3.31Å; K70-F83 HydrophobicContact CB-CD1 3.82Å; K70-F83 HydrophobicContact CB-CE1 4.21Å; K70-F83 HydrophobicContact CG-CD1 4.24Å; K70-E85 HydrophobicContact CD-CG 4.45Å; K70-E85 VanDerWaalsContact CD-OE2 3.3Å; K70-E85 WeakPolarHBondContact CD-OE2 3.36Å; K70-E85 WeakPolarHBondContact CE-OE2 3.27Å; K70-E85 IonicContact NZ-OE2 3.73Å; K70-E85 PolarHBondContact NZ-OE2 3.37Å
71E93.6Very high93.5Very high95 Ų9565 Ų6544%0.44435%0.354SS..Hα-helixtrans-64.4-43.6-179.9-17554.3-147.400111.2D67 E68 K74 Q75D67-E71 PolarHBondContact O-N 3.41Å; E68-E71 PolarHBondContact O-N 2.93Å; E71-K74 PolarHBondContact O-N 2.83Å; E71-Q75 WeakPolarHBondContact O-CG 3.33Å; E71-Q75 PolarHBondContact O-N 2.82Å; E71-Q75 VanDerWaalsContact O-N 3.13Å; E71-Q75 PolarHBondContact OE1-NE2 3.35Å
72F93.7Very high93.5Very high96 Ų9666.3 Ų66.342%0.42136%0.362SS..Hα-helixtrans-57.9-51.5175.6174.4-97.1000112.2Y9 E68 A69 K74 Q75 H76Y9-F72 HydrophobicContact CD1-CD1 4.05Å; Y9-F72 HydrophobicContact CD1-CE1 4.36Å; Y9-F72 HydrophobicContact CE1-CB 4.01Å; Y9-F72 AromaticContact CE1-CD1 3.7Å; Y9-F72 HydrophobicContact CE1-CD1 3.7Å; Y9-F72 HydrophobicContact CE1-CE1 4.42Å; Y9-F72 AromaticContact CE1-CG 3.91Å; Y9-F72 HydrophobicContact CE1-CG 3.91Å; E68-F72 PolarHBondContact O-N 3.25Å; A69-F72 PolarHBondContact O-N 2.99Å; F72-K74 PolarHBondContact O-N 2.89Å; F72-Q75 PolarHBondContact O-N 3.49Å; F72-H76 HydrophobicContact CE1-CB 4.47Å; F72-H76 WeakPolarHBondContact O-CB 3.2Å; F72-H76 PolarHBondContact O-N 3.03Å
73Y93.6Very high93.4Very high7 Ų763 Ų633%0.02734%0.344CS..Hα-helixtrans-68.2-35.9-177.7-76.4-55.4000112.2L8 Y9 V16 A69 K70 Q75 H76 F77 F83L8-Y73 PolarHBondContact O-OH 2.94Å; Y9-Y73 HydrophobicContact CD1-CE2 4.35Å; V16-Y73 HydrophobicContact CG1-CD2 4.46Å; V16-Y73 HydrophobicContact CG1-CG 4.3Å; V16-Y73 HydrophobicContact CG2-CD1 3.85Å; V16-Y73 HydrophobicContact CG2-CD2 4.4Å; V16-Y73 HydrophobicContact CG2-CE1 3.51Å; V16-Y73 HydrophobicContact CG2-CE2 4.09Å; V16-Y73 HydrophobicContact CG2-CG 4.3Å; A69-Y73 HydrophobicContact CB-CD2 4.31Å; A69-Y73 HydrophobicContact CB-CE2 4.29Å; A69-Y73 WeakPolarHBondContact O-CB 3.38Å; A69-Y73 WeakPolarHBondContact O-CD2 3.43Å; A69-Y73 PolarHBondContact O-N 3.36Å; K70-Y73 PolarHBondContact O-N 3.39Å; Y73-Q75 VanDerWaalsContact C-N 3.28Å; Y73-Q75 PolarHBondContact O-N 3.26Å; Y73-H76 PolarHBondContact O-N 2.78Å; Y73-F77 HydrophobicContact CD1-CD2 4.42Å; Y73-F77 AromaticContact CD1-CE2 3.85Å; Y73-F77 HydrophobicContact CD1-CE2 3.85Å; Y73-F77 HydrophobicContact CG-CE2 4.44Å; Y73-F77 WeakPolarHBondContact O-CD2 3.18Å; Y73-F77 PolarHBondContact O-N 2.8Å; Y73-F83 HydrophobicContact CD2-CB 4.49Å; Y73-F83 AromaticContact CD2-CD2 3.5Å; Y73-F83 HydrophobicContact CD2-CD2 3.5Å; Y73-F83 VanDerWaalsContact CD2-CD2 3.5Å; Y73-F83 HydrophobicContact CD2-CE2 4.02Å; Y73-F83 HydrophobicContact CD2-CG 4.15Å; Y73-F83 HydrophobicContact CE2-CD2 4Å; Y73-F83 HydrophobicContact CE2-CE2 4.16Å; Y73-F83 HydrophobicContact CG-CD2 4.4Å
74K93.8Very high93.4Very high87 Ų8760.3 Ų60.338%0.37833%0.332SS..Hα-helixtrans-57.5-43.4173.7-173.2177.1-179.4-178.50111.3K70 E71 F72 G79K70-K74 VanDerWaalsContact O-CB 3.26Å; K70-K74 WeakPolarHBondContact O-CB 3.48Å; K70-K74 PolarHBondContact O-N 2.96Å; E71-K74 PolarHBondContact O-N 2.83Å; F72-K74 PolarHBondContact O-N 2.89Å; K74-G79 WeakPolarHBondContact O-CA 3.3Å; K74-G79 PolarHBondContact O-N 3.32Å
75Q94.2Very high93.4Very high131 Ų13159.3 Ų59.361%0.61232%0.316SS*.Hα-helixtrans-68.8-44.1174.9-65.6177.818.600112.1E71 F72 Y73 F77 G78E71-Q75 WeakPolarHBondContact O-CG 3.33Å; E71-Q75 PolarHBondContact O-N 2.82Å; E71-Q75 VanDerWaalsContact O-N 3.13Å; E71-Q75 PolarHBondContact OE1-NE2 3.35Å; F72-Q75 PolarHBondContact O-N 3.49Å; Y73-Q75 VanDerWaalsContact C-N 3.28Å; Y73-Q75 PolarHBondContact O-N 3.26Å; Q75-F77 VanDerWaalsContact C-N 3.25Å; Q75-F77 PolarHBondContact O-N 3.13Å; Q75-G78 PolarHBondContact O-N 2.88Å; Q75-G78 VanDerWaalsContact O-N 3.1Å
76H93Very high93.4Very high100 Ų10062.3 Ų62.346%0.46334%0.34SS..Hα-helixtrans-58-36.6179.2-174.272.3000112.9S13 F72 Y73S13-H76 VanDerWaalsContact CB-NE2 3.32Å; S13-H76 WeakPolarHBondContact CB-NE2 3.39Å; F72-H76 HydrophobicContact CE1-CB 4.47Å; F72-H76 WeakPolarHBondContact O-CB 3.2Å; F72-H76 PolarHBondContact O-N 3.03Å; Y73-H76 PolarHBondContact O-N 2.78Å
77F92.9Very high93.4Very high50 Ų5062.7 Ų62.722%0.21934%0.344CS..THydrogen-bonded Turntrans-95.523.6178.8-68.1-70.9000113.9S13 V16 Y73 Q75 G79 L80 V82S13-F77 WeakPolarHBondContact O-CZ 3.27Å; V16-F77 HydrophobicContact CB-CE2 4.06Å; V16-F77 HydrophobicContact CB-CZ 4.29Å; V16-F77 HydrophobicContact CG1-CE2 4.09Å; V16-F77 HydrophobicContact CG2-CE2 4.28Å; Y73-F77 HydrophobicContact CD1-CD2 4.42Å; Y73-F77 AromaticContact CD1-CE2 3.85Å; Y73-F77 HydrophobicContact CD1-CE2 3.85Å; Y73-F77 HydrophobicContact CG-CE2 4.44Å; Y73-F77 WeakPolarHBondContact O-CD2 3.18Å; Y73-F77 PolarHBondContact O-N 2.8Å; Q75-F77 VanDerWaalsContact C-N 3.25Å; Q75-F77 PolarHBondContact O-N 3.13Å; F77-G79 VanDerWaalsContact C-N 3.33Å; F77-G79 PolarHBondContact O-N 3.33Å; F77-L80 HydrophobicContact CB-CB 4.23Å; F77-L80 WeakPolarHBondContact O-CG 3.48Å; F77-L80 PolarHBondContact O-N 3.36Å; F77-V82 HydrophobicContact CB-CG2 4.15Å; F77-V82 HydrophobicContact CD1-CG2 4.36Å; F77-V82 HydrophobicContact CD2-CG2 3.37Å; F77-V82 HydrophobicContact CE2-CG2 3.8Å; F77-V82 HydrophobicContact CG-CG2 3.71Å; F77-V82 HydrophobicContact CZ-CG2 4.45Å
78G91.4Very high93.4Very high75 Ų7558.9 Ų58.977%0.77332%0.323SS*.THydrogen-bonded Turntrans67.430.6172.800000114.4Q75Q75-G78 PolarHBondContact O-N 2.88Å; Q75-G78 VanDerWaalsContact O-N 3.1Å
79G89.5Confident93.6Very high45 Ų4557 Ų5746%0.46431%0.311SS..THydrogen-bonded Turntrans96.6-5.2179.400000114.9K74 F77K74-G79 WeakPolarHBondContact O-CA 3.3Å; K74-G79 PolarHBondContact O-N 3.32Å; F77-G79 VanDerWaalsContact C-N 3.33Å; F77-G79 PolarHBondContact O-N 3.33Å
80L90.1Very high93.8Very high113 Ų11360 Ų6059%0.59232%0.324SS*.  trans-75.2126.7179.4-63.2172000111.4F77 V82F77-L80 HydrophobicContact CB-CB 4.23Å; F77-L80 WeakPolarHBondContact O-CG 3.48Å; F77-L80 PolarHBondContact O-N 3.36Å; L80-V82 HydrophobicContact CB-CG1 3.94Å; L80-V82 PolarHBondContact O-N 3.01Å; L80-V82 VanDerWaalsContact O-N 3.1Å
81D91.3Very high93.9Very high89 Ų8957.6 Ų57.648%0.47631%0.313SS..  trans-85.177.7176.3-161.23.4000110.3K70K70-D81 WeakPolarHBondContact CE-OD1 3.13Å; K70-D81 VanDerWaalsContact CE-OD2 3.29Å; K70-D81 WeakPolarHBondContact CE-OD2 3.22Å; K70-D81 IonicContact NZ-OD2 3.97Å; K70-D81 PolarHBondContact NZ-OD2 3.31Å
82V93.2Very high94Very high33 Ų3354 Ų5420%0.230%0.297CS..  trans-104.10.5-177.8-60.90000113.3V16 T17 Y19 F77 L80V16-V82 HydrophobicContact CG1-CG2 4.35Å; T17-V82 HydrophobicContact CG2-CB 4Å; T17-V82 HydrophobicContact CG2-CG2 3.95Å; Y19-V82 WeakPolarHBondContact CE1-O 3.31Å; F77-V82 HydrophobicContact CB-CG2 4.15Å; F77-V82 HydrophobicContact CD1-CG2 4.36Å; F77-V82 HydrophobicContact CD2-CG2 3.37Å; F77-V82 HydrophobicContact CE2-CG2 3.8Å; F77-V82 HydrophobicContact CG-CG2 3.71Å; F77-V82 HydrophobicContact CZ-CG2 4.45Å; L80-V82 HydrophobicContact CB-CG1 3.94Å; L80-V82 PolarHBondContact O-N 3.01Å; L80-V82 VanDerWaalsContact O-N 3.1Å
83F93.9Very high94.2Very high8 Ų854.4 Ų54.44%0.03530%0.304CS..SBendtrans-79.6134.9-177.8173.7-106.5000110.5L8 V16 I66 A69 K70 Y73 E85 W88 W134L8-F83 HydrophobicContact CD2-CE2 3.96Å; L8-F83 HydrophobicContact CD2-CZ 3.49Å; L8-F83 VanDerWaalsContact CD2-CZ 3.49Å; V16-F83 HydrophobicContact CG1-CB 4.19Å; V16-F83 HydrophobicContact CG1-CD2 4.06Å; I66-F83 HydrophobicContact CG2-CE1 3.91Å; I66-F83 HydrophobicContact CG2-CZ 4.44Å; A69-F83 HydrophobicContact CB-CE2 4.4Å; A69-F83 HydrophobicContact CB-CZ 4.23Å; K70-F83 HydrophobicContact CB-CD1 3.82Å; K70-F83 HydrophobicContact CB-CE1 4.21Å; K70-F83 HydrophobicContact CG-CD1 4.24Å; Y73-F83 HydrophobicContact CD2-CB 4.49Å; Y73-F83 AromaticContact CD2-CD2 3.5Å; Y73-F83 HydrophobicContact CD2-CD2 3.5Å; Y73-F83 VanDerWaalsContact CD2-CD2 3.5Å; Y73-F83 HydrophobicContact CD2-CE2 4.02Å; Y73-F83 HydrophobicContact CD2-CG 4.15Å; Y73-F83 HydrophobicContact CE2-CD2 4Å; Y73-F83 HydrophobicContact CE2-CE2 4.16Å; Y73-F83 HydrophobicContact CG-CD2 4.4Å; F83-E85 HydrophobicContact CD1-CB 4.07Å; F83-E85 HydrophobicContact CE1-CB 4.18Å; F83-E85 PolarHBondContact O-N 3.2Å; F83-W88 AromaticContact CE2-CD1 3.48Å; F83-W88 VanDerWaalsContact CE2-CD1 3.48Å; F83-W88 HydrophobicContact CE2-CG 4.5Å; F83-W88 AromaticContact CE2-NE1 3.61Å; F83-W88 HydrophobicContact CZ-CB 4.37Å; F83-W88 AromaticContact CZ-CD1 3.22Å; F83-W88 AromaticContact CZ-CG 3.93Å; F83-W88 HydrophobicContact CZ-CG 3.93Å; F83-W88 AromaticContact CZ-NE1 3.81Å; F83-W134 HydrophobicContact CE2-CH2 4.22Å
84N94Very high94.3Very high8 Ų858.7 Ų58.74%0.04333%0.327CS..  trans-77.664.2-179-1699.2000112.4Y19 S86 G87 W88 W130Y19-N84 HydrophobicContact CD1-CB 3.71Å; Y19-N84 HydrophobicContact CD2-CB 3.94Å; Y19-N84 VanDerWaalsContact CD2-CG 3.49Å; Y19-N84 HydrophobicContact CE1-CB 3.83Å; Y19-N84 HydrophobicContact CE2-CB 4.02Å; Y19-N84 HydrophobicContact CG-CB 3.77Å; N84-S86 VanDerWaalsContact C-N 3.33Å; N84-S86 PolarHBondContact O-N 3.27Å; N84-S86 PolarHBondContact OD1-OG 3.1Å; N84-G87 PolarHBondContact O-N 3.48Å; N84-G87 PolarHBondContact OD1-N 3.26Å; N84-W88 VanDerWaalsContact O-CD1 3.25Å; N84-W88 PolarHBondContact O-N 3.47Å; N84-W88 VanDerWaalsContact O-N 3.09Å; N84-W130 WeakPolarHBondContact ND2-CZ2 3.45Å; N84-W130 PolarHBondContact ND2-NE1 3.24Å
85E95.6Very high94.5Very high48 Ų4856.9 Ų56.922%0.22432%0.32CS..Hα-helixtrans-56.2-47.3-179.4-177.5-171.6172.800111.6I66 K70 F83 G87 W88 R89I66-E85 HydrophobicContact CG2-CG 3.94Å; K70-E85 HydrophobicContact CD-CG 4.45Å; K70-E85 VanDerWaalsContact CD-OE2 3.3Å; K70-E85 WeakPolarHBondContact CD-OE2 3.36Å; K70-E85 WeakPolarHBondContact CE-OE2 3.27Å; K70-E85 IonicContact NZ-OE2 3.73Å; K70-E85 PolarHBondContact NZ-OE2 3.37Å; F83-E85 HydrophobicContact CD1-CB 4.07Å; F83-E85 HydrophobicContact CE1-CB 4.18Å; F83-E85 PolarHBondContact O-N 3.2Å; E85-G87 VanDerWaalsContact C-N 3.34Å; E85-G87 PolarHBondContact O-N 3.03Å; E85-W88 PolarHBondContact O-N 3.38Å; E85-R89 HydrophobicContact CG-CG 4.27Å; E85-R89 WeakPolarHBondContact O-CG 3.28Å; E85-R89 PolarHBondContact O-N 2.9Å; E85-R89 IonicContact OE1-CZ 3.23Å; E85-R89 VanDerWaalsContact OE1-CZ 3.23Å; E85-R89 IonicContact OE1-NE 3.19Å; E85-R89 PolarHBondContact OE1-NE 2.75Å; E85-R89 IonicContact OE1-NH2 2.76Å; E85-R89 PolarHBondContact OE1-NH2 3.08Å
86S95.4Very high94.5Very high90 Ų9055.2 Ų55.263%0.62932%0.315SS*.Hα-helixtrans-62.1-41.2-17855.80000112.2N84 Y90N84-S86 VanDerWaalsContact C-N 3.33Å; N84-S86 PolarHBondContact O-N 3.27Å; N84-S86 PolarHBondContact OD1-OG 3.1Å; S86-Y90 WeakPolarHBondContact O-CB 3.47Å; S86-Y90 PolarHBondContact O-N 3.48Å
87G95.3Very high94.5Very high8 Ų850.5 Ų50.58%0.08229%0.294CS..Hα-helixtrans-64.4-39.5175.600000112.9N84 E85 Y90 I91N84-G87 PolarHBondContact O-N 3.48Å; N84-G87 PolarHBondContact OD1-N 3.26Å; E85-G87 VanDerWaalsContact C-N 3.34Å; E85-G87 PolarHBondContact O-N 3.03Å; G87-Y90 WeakPolarHBondContact O-CB 3.33Å; G87-I91 WeakPolarHBondContact O-CG1 3.23Å; G87-I91 PolarHBondContact O-N 3.26Å
88W96.1Very high94.7Very high0 Ų052.4 Ų52.40%030%0.304CS..Hα-helixtrans-72.6-40.2176.9-79.3109.9000112.7L8 V61 I66 F83 N84 E85 Y90 I91 V92 L99 W130 L131 W134 F135L8-W88 HydrophobicContact CD1-CE3 4.43Å; L8-W88 HydrophobicContact CD2-CD2 4.34Å; L8-W88 HydrophobicContact CD2-CG 4.33Å; L8-W88 HydrophobicContact CG-CD2 4.26Å; L8-W88 HydrophobicContact CG-CZ2 4.29Å; V61-W88 HydrophobicContact CB-CE3 4.49Å; V61-W88 HydrophobicContact CG1-CE3 4.1Å; V61-W88 HydrophobicContact CG2-CE3 3.88Å; V61-W88 HydrophobicContact CG2-CZ3 3.58Å; I66-W88 HydrophobicContact CD1-CB 3.74Å; I66-W88 HydrophobicContact CG1-CB 3.93Å; I66-W88 HydrophobicContact CG2-CB 4.4Å; F83-W88 AromaticContact CE2-CD1 3.48Å; F83-W88 VanDerWaalsContact CE2-CD1 3.48Å; F83-W88 HydrophobicContact CE2-CG 4.5Å; F83-W88 AromaticContact CE2-NE1 3.61Å; F83-W88 HydrophobicContact CZ-CB 4.37Å; F83-W88 AromaticContact CZ-CD1 3.22Å; F83-W88 AromaticContact CZ-CG 3.93Å; F83-W88 HydrophobicContact CZ-CG 3.93Å; F83-W88 AromaticContact CZ-NE1 3.81Å; N84-W88 VanDerWaalsContact O-CD1 3.25Å; N84-W88 PolarHBondContact O-N 3.47Å; N84-W88 VanDerWaalsContact O-N 3.09Å; E85-W88 PolarHBondContact O-N 3.38Å; W88-Y90 VanDerWaalsContact C-N 3.29Å; W88-Y90 PolarHBondContact O-N 3.35Å; W88-I91 HydrophobicContact CD2-CD1 4.46Å; W88-I91 HydrophobicContact CE3-CD1 3.73Å; W88-I91 HydrophobicContact CZ3-CD1 3.86Å; W88-I91 WeakPolarHBondContact O-CB 3.22Å; W88-I91 PolarHBondContact O-N 2.85Å; W88-I91 VanDerWaalsContact O-N 3.11Å; W88-V92 PolarHBondContact O-N 3.48Å; W88-V92 VanDerWaalsContact O-N 3.16Å; W88-L99 HydrophobicContact CH2-CD2 4.42Å; W88-L99 HydrophobicContact CZ3-CD2 3.99Å; W88-W130 AromaticContact CD1-CH2 3.89Å; W88-W130 AromaticContact CD2-CH2 3.81Å; W88-W130 HydrophobicContact CD2-CH2 3.81Å; W88-W130 AromaticContact CE2-CH2 3.53Å; W88-W130 AromaticContact CE2-CZ3 3.8Å; W88-W130 HydrophobicContact CE3-CH2 4.4Å; W88-W130 HydrophobicContact CG-CH2 4.05Å; W88-W130 AromaticContact CZ2-CH2 3.93Å; W88-W130 HydrophobicContact CZ2-CH2 3.93Å; W88-W130 AromaticContact CZ2-CZ3 3.86Å; W88-W130 HydrophobicContact CZ2-CZ3 3.86Å; W88-W130 AromaticContact NE1-CH2 3.59Å; W88-W130 AromaticContact NE1-CZ3 3.78Å; W88-L131 HydrophobicContact CH2-CD1 3.64Å; W88-L131 HydrophobicContact CZ2-CD1 4.16Å; W88-L131 HydrophobicContact CZ3-CD1 4.04Å; W88-W134 HydrophobicContact CH2-CG 4.49Å; W88-W134 AromaticContact CZ2-CD1 3.91Å; W88-W134 AromaticContact CZ2-CD2 3.72Å; W88-W134 HydrophobicContact CZ2-CD2 3.72Å; W88-W134 AromaticContact CZ2-CE2 3.49Å; W88-W134 VanDerWaalsContact CZ2-CE2 3.49Å; W88-W134 HydrophobicContact CZ2-CE3 4.26Å; W88-W134 HydrophobicContact CZ2-CG 4Å; W88-W134 HydrophobicContact CZ2-CH2 4.38Å; W88-W134 AromaticContact CZ2-CZ2 3.86Å; W88-W134 HydrophobicContact CZ2-CZ2 3.86Å; W88-W134 AromaticContact CZ2-NE1 3.62Å; W88-W134 AromaticContact NE1-CH2 3.79Å; W88-W134 AromaticContact NE1-CZ2 4Å; W88-F135 HydrophobicContact CH2-CE2 4.23Å; W88-F135 HydrophobicContact CH2-CZ 4.29Å
89R97Very high94.8Very high61 Ų6149.8 Ų49.823%0.2327%0.273CS..Hα-helixtrans-61.9-39.7174.6-72-163.7-170.1-80.60.3111.4H63 I66 D67 E85 I91 V92 D93H63-R89 PolarHBondContact ND1-NH1 3.39Å; I66-R89 HydrophobicContact CD1-CG 4.01Å; I66-R89 HydrophobicContact CG2-CG 4.26Å; D67-R89 IonicContact OD1-CZ 3.59Å; D67-R89 IonicContact OD1-NH1 3.7Å; D67-R89 IonicContact OD1-NH2 2.69Å; D67-R89 PolarHBondContact OD1-NH2 3.37Å; E85-R89 HydrophobicContact CG-CG 4.27Å; E85-R89 WeakPolarHBondContact O-CG 3.28Å; E85-R89 PolarHBondContact O-N 2.9Å; E85-R89 IonicContact OE1-CZ 3.23Å; E85-R89 VanDerWaalsContact OE1-CZ 3.23Å; E85-R89 IonicContact OE1-NE 3.19Å; E85-R89 PolarHBondContact OE1-NE 2.75Å; E85-R89 IonicContact OE1-NH2 2.76Å; E85-R89 PolarHBondContact OE1-NH2 3.08Å; R89-I91 VanDerWaalsContact C-N 3.27Å; R89-I91 PolarHBondContact O-N 3.2Å; R89-V92 PolarHBondContact O-N 2.88Å; R89-D93 WeakPolarHBondContact O-CB 3.5Å; R89-D93 PolarHBondContact O-N 3.24Å
90Y97.1Very high95.1Very high65 Ų6548 Ų4826%0.25525%0.253SS..Hα-helixtrans-54.4-42.1172.2179.9-90.8000112.4S86 G87 W88 V92 D93 N94 D125 C127 V128S86-Y90 WeakPolarHBondContact O-CB 3.47Å; S86-Y90 PolarHBondContact O-N 3.48Å; G87-Y90 WeakPolarHBondContact O-CB 3.33Å; W88-Y90 VanDerWaalsContact C-N 3.29Å; W88-Y90 PolarHBondContact O-N 3.35Å; Y90-V92 VanDerWaalsContact C-N 3.34Å; Y90-V92 PolarHBondContact O-N 3.1Å; Y90-D93 PolarHBondContact O-N 3.38Å; Y90-N94 HydrophobicContact CD1-CB 4.47Å; Y90-N94 HydrophobicContact CD2-CB 4.46Å; Y90-N94 WeakPolarHBondContact CD2-OD1 3.29Å; Y90-N94 HydrophobicContact CE1-CB 4.14Å; Y90-N94 HydrophobicContact CE2-CB 4.15Å; Y90-N94 VanDerWaalsContact CE2-CG 3.47Å; Y90-N94 VanDerWaalsContact O-CB 3.24Å; Y90-N94 WeakPolarHBondContact O-CB 3.27Å; Y90-N94 PolarHBondContact O-N 3.32Å; Y90-N94 PolarHBondContact O-OD1 3.42Å; Y90-D125 PolarHBondContact OH-OD2 3.2Å; Y90-C127 HydrophobicContact CD1-CB 4.24Å; Y90-C127 HydrophobicContact CE1-CB 3.65Å; Y90-C127 HydrophobicContact CE2-CB 4.25Å; Y90-V128 HydrophobicContact CD1-CG1 3.74Å; Y90-V128 HydrophobicContact CE1-CG1 4.18Å
91I96.6Very high95.3Very high0 Ų043.9 Ų43.90%023%0.231CC..Hα-helixtrans-64.5-40.6176.8-65.2166.9000111.1G87 W88 R89 H95 N96 G97 M98 V128 W130 L131G87-I91 WeakPolarHBondContact O-CG1 3.23Å; G87-I91 PolarHBondContact O-N 3.26Å; W88-I91 HydrophobicContact CD2-CD1 4.46Å; W88-I91 HydrophobicContact CE3-CD1 3.73Å; W88-I91 HydrophobicContact CZ3-CD1 3.86Å; W88-I91 WeakPolarHBondContact O-CB 3.22Å; W88-I91 PolarHBondContact O-N 2.85Å; W88-I91 VanDerWaalsContact O-N 3.11Å; R89-I91 VanDerWaalsContact C-N 3.27Å; R89-I91 PolarHBondContact O-N 3.2Å; I91-H95 HydrophobicContact CG2-CB 4.49Å; I91-H95 CarbonylContact O-C 3.38Å; I91-H95 VanDerWaalsContact O-CA 3.32Å; I91-H95 WeakPolarHBondContact O-CA 3.24Å; I91-H95 WeakPolarHBondContact O-CB 3.38Å; I91-H95 PolarHBondContact O-N 3.09Å; I91-N96 PolarHBondContact O-N 3.13Å; I91-G97 PolarHBondContact O-N 2.9Å; I91-G97 VanDerWaalsContact O-N 3.17Å; I91-M98 WeakPolarHBondContact CG2-O 3.39Å; I91-V128 HydrophobicContact CD1-CG1 4.17Å; I91-V128 HydrophobicContact CG1-CG1 3.85Å; I91-W130 HydrophobicContact CD1-CH2 4.11Å; I91-W130 HydrophobicContact CD1-CZ2 4.13Å; I91-L131 HydrophobicContact CD1-CD1 3.89Å; I91-L131 HydrophobicContact CD1-CD2 3.96Å
92V96.6Very high95.4Very high19 Ų1945.7 Ų45.712%0.11523%0.232CC..Hα-helixtrans-65.4-47.3177.4-179.50000111V61 H63 I66 W88 R89 Y90 N96 G97V61-V92 HydrophobicContact CB-CG2 4.22Å; V61-V92 HydrophobicContact CG1-CG2 3.67Å; H63-V92 WeakPolarHBondContact NE2-CG1 3.3Å; I66-V92 HydrophobicContact CD1-CG2 3.58Å; W88-V92 PolarHBondContact O-N 3.48Å; W88-V92 VanDerWaalsContact O-N 3.16Å; R89-V92 PolarHBondContact O-N 2.88Å; Y90-V92 VanDerWaalsContact C-N 3.34Å; Y90-V92 PolarHBondContact O-N 3.1Å; V92-N96 WeakPolarHBondContact O-CA 3.14Å; V92-N96 PolarHBondContact O-N 2.99Å; V92-N96 VanDerWaalsContact O-N 3.08Å; V92-G97 PolarHBondContact O-N 3.04Å
93D97.2Very high95.5Very high105 Ų10546.3 Ų46.356%0.56123%0.233SC*.Hα-helixtrans-78.2-37.7-172.1-62.5-29.5000112.7H63 R89 Y90H63-D93 IonicContact CE1-OD1 3.84Å; H63-D93 PolarHBondContact CE1-OD1 3.13Å; H63-D93 IonicContact CE1-OD2 2.76Å; H63-D93 IonicContact NE2-OD1 2.7Å; H63-D93 PolarHBondContact NE2-OD1 2.97Å; R89-D93 WeakPolarHBondContact O-CB 3.5Å; R89-D93 PolarHBondContact O-N 3.24Å; Y90-D93 PolarHBondContact O-N 3.38Å
94N97.2Very high95.5Very high97 Ų9750.9 Ų50.952%0.51925%0.253SS..Hα-helixtrans-96.6-28.8-176.1-69.166.1000113.9Y90Y90-N94 HydrophobicContact CD1-CB 4.47Å; Y90-N94 HydrophobicContact CD2-CB 4.46Å; Y90-N94 WeakPolarHBondContact CD2-OD1 3.29Å; Y90-N94 HydrophobicContact CE1-CB 4.14Å; Y90-N94 HydrophobicContact CE2-CB 4.15Å; Y90-N94 VanDerWaalsContact CE2-CG 3.47Å; Y90-N94 VanDerWaalsContact O-CB 3.24Å; Y90-N94 WeakPolarHBondContact O-CB 3.27Å; Y90-N94 PolarHBondContact O-N 3.32Å; Y90-N94 PolarHBondContact O-OD1 3.42Å
95H96.3Very high95.5Very high49 Ų4953 Ų5323%0.22727%0.271CS..Hα-helixtrans-115.511.6-179.4-63.6-81.8000113I91 G97 M98 D125I91-H95 HydrophobicContact CG2-CB 4.49Å; I91-H95 CarbonylContact O-C 3.38Å; I91-H95 VanDerWaalsContact O-CA 3.32Å; I91-H95 WeakPolarHBondContact O-CA 3.24Å; I91-H95 WeakPolarHBondContact O-CB 3.38Å; I91-H95 PolarHBondContact O-N 3.09Å; H95-G97 PolarHBondContact O-N 2.81Å; H95-M98 VanDerWaalsContact CB-O 3.25Å; H95-M98 WeakPolarHBondContact CB-O 3.26Å; H95-M98 VanDerWaalsContact O-CB 3.32Å; H95-M98 WeakPolarHBondContact O-CB 2.99Å; H95-M98 WeakPolarHBondContact O-CE 3.41Å; H95-M98 PolarHBondContact O-N 3.36Å; H95-D125 IonicContact CD2-OD2 2.81Å; H95-D125 IonicContact CE1-OD2 3.6Å; H95-D125 PolarHBondContact CE1-OD2 3.22Å; H95-D125 IonicContact NE2-OD2 3.58Å; H95-D125 PolarHBondContact NE2-OD2 2.93Å
96N95.5Very high95.3Very high96 Ų9652.4 Ų52.451%0.51327%0.271SS..THydrogen-bonded Turntrans55.435.2178.3-166.828.1000112.5Q59 I91 V92 M98Q59-N96 WeakPolarHBondContact CG-O 3.37Å; Q59-N96 PolarHBondContact NE2-ND2 3.32Å; Q59-N96 PolarHBondContact NE2-O 2.93Å; Q59-N96 PolarHBondContact NE2-OD1 2.81Å; Q59-N96 VanDerWaalsContact NE2-OD1 3.13Å; I91-N96 PolarHBondContact O-N 3.13Å; V92-N96 WeakPolarHBondContact O-CA 3.14Å; V92-N96 PolarHBondContact O-N 2.99Å; V92-N96 VanDerWaalsContact O-N 3.08Å; N96-M98 VanDerWaalsContact C-N 3.25Å; N96-M98 HydrophobicContact CB-CE 4.39Å; N96-M98 PolarHBondContact O-N 2.77Å
97G93.2Very high95.2Very high1 Ų152.7 Ų52.71%0.0127%0.271CS..THydrogen-bonded Turntrans775.1-179.400000115V60 V61 I91 V92 H95V60-G97 PolarHBondContact N-O 3.36Å; V61-G97 PolarHBondContact N-O 2.97Å; V61-G97 WeakPolarHBondContact O-CA 3.26Å; I91-G97 PolarHBondContact O-N 2.9Å; I91-G97 VanDerWaalsContact O-N 3.17Å; V92-G97 PolarHBondContact O-N 3.04Å; H95-G97 PolarHBondContact O-N 2.81Å
98M95.3Very high94.9Very high90 Ų9055.2 Ų55.244%0.44328%0.281SS..  trans-87.2142.1174.3-56.9-176.5-74.200110.3G58 Q59 I91 H95 N96 P100G58-M98 WeakPolarHBondContact O-CA 3.23Å; G58-M98 WeakPolarHBondContact O-CG 3.28Å; Q59-M98 HydrophobicContact CG-CG 4.35Å; I91-M98 WeakPolarHBondContact CG2-O 3.39Å; H95-M98 VanDerWaalsContact CB-O 3.25Å; H95-M98 WeakPolarHBondContact CB-O 3.26Å; H95-M98 VanDerWaalsContact O-CB 3.32Å; H95-M98 WeakPolarHBondContact O-CB 2.99Å; H95-M98 WeakPolarHBondContact O-CE 3.41Å; H95-M98 PolarHBondContact O-N 3.36Å; N96-M98 VanDerWaalsContact C-N 3.25Å; N96-M98 HydrophobicContact CB-CE 4.39Å; N96-M98 PolarHBondContact O-N 2.77Å; M98-P100 VanDerWaalsContact O-CD 3.24Å; M98-P100 WeakPolarHBondContact O-CD 3.32Å
99L94.8Very high94.4Very high20 Ų2057.4 Ų57.411%0.10530%0.303CS..  trans-79118.9-178.3-56.7173.7000110.6M56 V60 W88 L101 L131 F135M56-L99 HydrophobicContact CB-CD1 4.07Å; M56-L99 HydrophobicContact CE-CD1 4.33Å; M56-L99 HydrophobicContact CG-CD1 4.24Å; V60-L99 HydrophobicContact CG2-CD1 3.79Å; V60-L99 HydrophobicContact CG2-CD2 3.91Å; V60-L99 HydrophobicContact CG2-CG 3.53Å; W88-L99 HydrophobicContact CH2-CD2 4.42Å; W88-L99 HydrophobicContact CZ3-CD2 3.99Å; L99-L101 HydrophobicContact CB-CD1 4.26Å; L99-L101 HydrophobicContact CB-CG 4.34Å; L99-L101 HydrophobicContact CD1-CD1 4.48Å; L99-L101 PolarHBondContact O-N 3.37Å; L99-L131 HydrophobicContact CB-CD2 4.4Å; L99-L131 HydrophobicContact CD2-CD1 4.43Å; L99-L131 HydrophobicContact CD2-CD2 4.31Å; L99-F135 HydrophobicContact CD1-CD2 4.35Å; L99-F135 HydrophobicContact CD1-CE1 3.73Å; L99-F135 HydrophobicContact CD1-CE2 3.57Å; L99-F135 HydrophobicContact CD1-CZ 3.21Å; L99-F135 HydrophobicContact CD2-CE2 3.92Å; L99-F135 HydrophobicContact CD2-CZ 3.84Å; L99-F135 HydrophobicContact CG-CE2 4.34Å; L99-F135 HydrophobicContact CG-CZ 4.16Å
100P95.6Very high94Very high7 Ų755.9 Ų55.95%0.04530%0.301CS..  trans-77.568175.833.1-37.6000111.1M98 T124 D125 V128 L131M98-P100 VanDerWaalsContact O-CD 3.24Å; M98-P100 WeakPolarHBondContact O-CD 3.32Å; P100-T124 WeakPolarHBondContact CA-OG1 3.29Å; P100-T124 WeakPolarHBondContact CB-OG1 3.22Å; P100-T124 PolarHBondContact O-N 3.44Å; P100-T124 PolarHBondContact O-OG1 3.33Å; P100-T124 VanDerWaalsContact O-OG1 3.13Å; P100-D125 HydrophobicContact CB-CB 3.95Å; P100-D125 HydrophobicContact CG-CB 4.17Å; P100-V128 HydrophobicContact CB-CG2 4.49Å; P100-V128 HydrophobicContact CG-CG2 3.47Å; P100-V128 VanDerWaalsContact CG-CG2 3.47Å; P100-L131 HydrophobicContact CG-CD2 4.13Å
101L94.2Very high93.6Very high28 Ų2856.1 Ų56.115%0.14731%0.31CS..EExtended strand (participates in β ladder)trans-122.8143.8178.1-64.7174.4000110M56 L99 V121 E122 N123 L131 F135M56-L101 HydrophobicContact CE-CD1 3.68Å; L99-L101 HydrophobicContact CB-CD1 4.26Å; L99-L101 HydrophobicContact CB-CG 4.34Å; L99-L101 HydrophobicContact CD1-CD1 4.48Å; L99-L101 PolarHBondContact O-N 3.37Å; L101-V121 HydrophobicContact CD1-CG1 4.47Å; L101-V121 HydrophobicContact CD2-CG1 4.3Å; L101-E122 CarbonylContact C-O 3.48Å; L101-E122 WeakPolarHBondContact CA-O 3.23Å; L101-N123 HydrophobicContact CD2-CB 4.36Å; L101-L131 HydrophobicContact CD1-CD2 4.22Å; L101-L131 HydrophobicContact CD1-CG 4.22Å; L101-L131 HydrophobicContact CD2-CB 4.29Å; L101-L131 HydrophobicContact CD2-CD2 3.97Å; L101-L131 HydrophobicContact CD2-CG 4.06Å; L101-L131 HydrophobicContact CG-CD2 3.86Å; L101-L131 HydrophobicContact CG-CG 4.24Å; L101-F135 HydrophobicContact CD1-CD2 3.78Å; L101-F135 HydrophobicContact CD1-CE2 4.26Å; L101-F135 HydrophobicContact CD1-CG 4.45Å
102R94.3Very high93.2Very high127 Ų12757.8 Ų57.848%0.47932%0.318SS..EExtended strand (participates in β ladder)trans-112.3127.8167.7-173.5-179.6-53.9137-6.5109.4V121 E122 T124R102-V121 WeakPolarHBondContact O-CA 3.33Å; R102-E122 HydrophobicContact CB-CG 3.75Å; R102-E122 VanDerWaalsContact CD-OE1 3.3Å; R102-E122 WeakPolarHBondContact CD-OE1 3.45Å; R102-E122 IonicContact CZ-OE1 2.67Å; R102-E122 PolarHBondContact N-O 3.34Å; R102-E122 IonicContact NE-OE1 3.87Å; R102-E122 IonicContact NH1-OE1 3.62Å; R102-E122 PolarHBondContact NH1-OE1 2.89Å; R102-E122 PolarHBondContact O-N 3.4Å; R102-T124 HydrophobicContact CB-CG2 3.7Å
103I93.5Very high92.8Very high46 Ų4660 Ų6024%0.23633%0.333CS..EExtended strand (participates in β ladder)trans-118.2126.1178.8-58.7178.3000108.6L48 L52 M56 F119 T120 V121L48-I103 HydrophobicContact CD2-CG2 4.23Å; L52-I103 HydrophobicContact CD2-CD1 3.44Å; L52-I103 VanDerWaalsContact CD2-CD1 3.44Å; M56-I103 HydrophobicContact CE-CD1 3.68Å; M56-I103 HydrophobicContact SD-CD1 4.18Å; I103-F119 HydrophobicContact CG2-CD2 4.45Å; I103-T120 VanDerWaalsContact CA-O 3.23Å; I103-T120 WeakPolarHBondContact CA-O 3.17Å; I103-T120 WeakPolarHBondContact CG2-O 3.4Å; I103-V121 HydrophobicContact CD1-CG2 4.45Å; I103-V121 HydrophobicContact CG1-CB 4.48Å; I103-V121 HydrophobicContact CG1-CG1 4.12Å; I103-V121 HydrophobicContact CG1-CG2 4.14Å
104K94.8Very high92.2Very high104 Ų10459 Ų5945%0.45232%0.322SS..EExtended strand (participates in β ladder)trans-116.1126.5175.8-63.8166177.5149.60107.7F119 T120 E122K104-F119 CarbonylContact O-C 3.57Å; K104-F119 WeakPolarHBondContact O-CA 3.27Å; K104-F119 VanDerWaalsContact O-CB 3.29Å; K104-F119 WeakPolarHBondContact O-CB 3.36Å; K104-T120 PolarHBondContact N-O 3.46Å; K104-T120 PolarHBondContact O-N 3.25Å; K104-E122 IonicContact NZ-OE1 3.6Å; K104-E122 PolarHBondContact NZ-OE1 3.23Å
105A93.9Very high91.8Very high51 Ų5160.5 Ų60.542%0.42132%0.324SS..EExtended strand (participates in β ladder)trans-134.5154-175.600000111.6F45 L48 L118 F119F45-A105 HydrophobicContact CE1-CB 3.97Å; F45-A105 HydrophobicContact CZ-CB 4.13Å; L48-A105 HydrophobicContact CD2-CB 3.55Å; A105-L118 WeakPolarHBondContact CA-O 3.48Å; A105-F119 HydrophobicContact CB-CB 3.6Å
106V92.5Very high91.5Very high36 Ų3661.8 Ų61.822%0.21833%0.332CS..PPolyproline II helixtrans-64.8153.2163.4-57.70000109.4F45 E108 I112 L118F45-V106 HydrophobicContact CB-CG2 3.82Å; F45-V106 HydrophobicContact CD1-CG2 3.33Å; F45-V106 VanDerWaalsContact CD1-O 3.27Å; F45-V106 WeakPolarHBondContact CD1-O 3.37Å; F45-V106 HydrophobicContact CE1-CG2 3.98Å; F45-V106 WeakPolarHBondContact CE1-O 3.33Å; F45-V106 HydrophobicContact CG-CG2 3.63Å; V106-E108 PolarHBondContact O-N 2.82Å; V106-I112 HydrophobicContact CG2-CG1 4.19Å; V106-L118 WeakPolarHBondContact CG2-O 3.46Å; V106-L118 PolarHBondContact N-O 3.23Å
107P92.7Very high91.4Very high96 Ų9660.5 Ų60.562%0.62333%0.328SS*.PPolyproline II helixtrans-58.6138.5178.4-22.432.7000111.5S110P107-S110 WeakPolarHBondContact O-CB 3.47Å; P107-S110 PolarHBondContact O-N 3.35Å; P107-S110 VanDerWaalsContact O-N 3.12Å; P107-S110 PolarHBondContact O-OG 3.45Å
108E88.9Confident91.3Very high62 Ų6260.7 Ų60.729%0.2933%0.328SS..THydrogen-bonded Turntrans-63.7144.1172.2-71.4-162.7-158.600111.6F45 F46 G47 L48 Q49 V106 S110F45-E108 HydrophobicContact CD1-CG 4.14Å; F45-E108 HydrophobicContact CE1-CG 4.04Å; F45-E108 CarbonylContact O-C 3.58Å; F45-E108 VanDerWaalsContact O-CA 3.29Å; F45-E108 WeakPolarHBondContact O-CA 3.25Å; F46-E108 HydrophobicContact CD2-CB 4.06Å; F46-E108 VanDerWaalsContact CD2-OE2 3.28Å; F46-E108 WeakPolarHBondContact CD2-OE2 3.39Å; G47-E108 PolarHBondContact N-OE2 3.48Å; L48-E108 WeakPolarHBondContact CA-OE1 3.49Å; L48-E108 WeakPolarHBondContact CB-OE1 3.44Å; L48-E108 PolarHBondContact N-OE1 3.41Å; Q49-E108 VanDerWaalsContact CB-OE1 3.3Å; Q49-E108 WeakPolarHBondContact CB-OE1 3.49Å; Q49-E108 PolarHBondContact N-OE1 3.48Å; V106-E108 PolarHBondContact O-N 2.82Å; E108-S110 VanDerWaalsContact C-N 3.28Å
109G85.2Confident91.1Very high45 Ų4556.7 Ų56.746%0.46431%0.309SS..THydrogen-bonded Turntrans85.6-8.1-167.600000113.9F45 V111F45-G109 PolarHBondContact O-N 3.17Å; G109-V111 PolarHBondContact O-N 2.81Å
110S88Confident91.1Very high29 Ų2956.3 Ų56.320%0.20331%0.307CS..  trans-67.7134.7177.5-60.80000111.6C44 F45 P107 E108C44-S110 CarbonylContact C-O 3.59Å; C44-S110 WeakPolarHBondContact CA-O 3.45Å; F45-S110 PolarHBondContact N-O 2.8Å; P107-S110 WeakPolarHBondContact O-CB 3.47Å; P107-S110 PolarHBondContact O-N 3.35Å; P107-S110 VanDerWaalsContact O-N 3.12Å; P107-S110 PolarHBondContact O-OG 3.45Å; E108-S110 VanDerWaalsContact C-N 3.28Å
111V89.2Confident90.9Very high71 Ų7156.4 Ų56.443%0.4331%0.307SS..EExtended strand (participates in β ladder)trans-93.1112171.8164.10000108.7Q42 G109Q42-V111 HydrophobicContact CB-CG1 4.29Å; G109-V111 PolarHBondContact O-N 2.81Å
112I87.3Confident90.9Very high34 Ų3456.4 Ų56.417%0.17431%0.307CS..EExtended strand (participates in β ladder)trans-119.7132.1-174.6-53.9-61.6000109.4Q42 V43 V106 N116 L118Q42-I112 CarbonylContact C-O 3.27Å; Q42-I112 WeakPolarHBondContact CA-O 3.35Å; V43-I112 PolarHBondContact N-O 2.84Å; V43-I112 PolarHBondContact O-N 3.46Å; V106-I112 HydrophobicContact CG2-CG1 4.19Å; I112-N116 HydrophobicContact CG2-CB 3.53Å; I112-L118 HydrophobicContact CB-CD2 3.88Å; I112-L118 HydrophobicContact CG1-CD2 4.11Å; I112-L118 HydrophobicContact CG2-CD2 3.94Å
113P89.1Confident90.9Very high65 Ų6550.8 Ų50.842%0.42229%0.286SS..EExtended strand (participates in β ladder)trans-58.1142.8169.6-20.531.9000111E41 N116E41-P113 WeakPolarHBondContact O-CA 3.45Å; P113-N116 WeakPolarHBondContact O-CB 3.29Å; P113-N116 PolarHBondContact O-ND2 2.9Å
114Y85.3Confident90.9Very high84 Ų8452 Ų5233%0.32930%0.296SS..SBendtrans-52.3157.7170.175.7-27000111.8C35 E41 N116C35-Y114 CarbonylContact O-C 3.54Å; C35-Y114 WeakPolarHBondContact O-CB 3.42Å; E41-Y114 WeakPolarHBondContact O-CD1 3.46Å; E41-Y114 PolarHBondContact O-N 2.93Å; Y114-N116 VanDerWaalsContact C-N 3.27Å; Y114-N116 PolarHBondContact O-N 2.67Å
115K88.5Confident90.9Very high129 Ų12948 Ų4856%0.56128%0.279SS*.SBendtrans63.928.6-172.7-50.4176.4178.8176.70114.2C35C35-K115 PolarHBondContact O-N 3.01Å
116N90.8Very high90.9Very high77 Ų7749.2 Ų49.241%0.41228%0.283SS..SBendtrans-118.5150.6165.4-72.3-81000109.5E34 I112 P113 Y114 L118E34-N116 VanDerWaalsContact CB-O 3.23Å; E34-N116 WeakPolarHBondContact CB-O 3.07Å; I112-N116 HydrophobicContact CG2-CB 3.53Å; P113-N116 WeakPolarHBondContact O-CB 3.29Å; P113-N116 PolarHBondContact O-ND2 2.9Å; Y114-N116 VanDerWaalsContact C-N 3.27Å; Y114-N116 PolarHBondContact O-N 2.67Å; N116-L118 PolarHBondContact O-N 3.01Å
117V91.6Very high90.9Very high69 Ų6951.2 Ų51.242%0.41830%0.298SS..EExtended strand (participates in β ladder)trans-66.2129.6173.663.80000110.3Y32 F33 F119 T120Y32-V117 HydrophobicContact CD2-CG2 4.33Å; F33-V117 CarbonylContact O-C 3.55Å; F33-V117 WeakPolarHBondContact O-CA 3.48Å; V117-F119 WeakPolarHBondContact CG2-O 3.22Å; V117-T120 HydrophobicContact CG2-CG2 3.47Å; V117-T120 VanDerWaalsContact CG2-CG2 3.47Å
118L91.1Very high90.9Very high4 Ų446.6 Ų46.62%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-96.6-43.5174.9-58.2-177.1000110.6F33 F45 A105 V106 I112 N116 V143F33-L118 HydrophobicContact CD1-CB 4.25Å; F33-L118 HydrophobicContact CD1-CD1 3.95Å; F33-L118 HydrophobicContact CD1-CG 4.36Å; F33-L118 HydrophobicContact CE1-CD1 4.04Å; F33-L118 PolarHBondContact O-N 3.26Å; F45-L118 HydrophobicContact CB-CD2 4.5Å; F45-L118 HydrophobicContact CD2-CB 3.85Å; F45-L118 HydrophobicContact CD2-CD1 4Å; F45-L118 HydrophobicContact CD2-CG 4.38Å; F45-L118 HydrophobicContact CE2-CB 4Å; F45-L118 HydrophobicContact CG-CB 4.48Å; A105-L118 WeakPolarHBondContact CA-O 3.48Å; V106-L118 WeakPolarHBondContact CG2-O 3.46Å; V106-L118 PolarHBondContact N-O 3.23Å; I112-L118 HydrophobicContact CB-CD2 3.88Å; I112-L118 HydrophobicContact CG1-CD2 4.11Å; I112-L118 HydrophobicContact CG2-CD2 3.94Å; N116-L118 PolarHBondContact O-N 3.01Å; L118-V143 HydrophobicContact CD1-CG2 4.24Å
119F92.9Very high91.1Very high7 Ų743.9 Ų43.93%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-153.3163.817265.4-88.6000111.3F33 F45 L48 I103 K104 A105 V117 V121 C139F33-F119 HydrophobicContact CB-CD1 3.7Å; F33-F119 HydrophobicContact CB-CD2 4.05Å; F33-F119 HydrophobicContact CB-CE1 3.29Å; F33-F119 HydrophobicContact CB-CE2 3.66Å; F33-F119 HydrophobicContact CB-CG 4.05Å; F33-F119 HydrophobicContact CB-CZ 3.24Å; F33-F119 HydrophobicContact CD1-CD1 4.34Å; F33-F119 AromaticContact CD1-CE1 3.72Å; F33-F119 HydrophobicContact CD1-CE1 3.72Å; F33-F119 HydrophobicContact CD1-CZ 4.28Å; F33-F119 AromaticContact CD2-CE1 3.74Å; F33-F119 HydrophobicContact CD2-CE1 3.74Å; F33-F119 HydrophobicContact CD2-CE2 4.45Å; F33-F119 AromaticContact CD2-CZ 3.46Å; F33-F119 HydrophobicContact CD2-CZ 3.46Å; F33-F119 VanDerWaalsContact CD2-CZ 3.46Å; F33-F119 HydrophobicContact CE2-CZ 4.44Å; F33-F119 HydrophobicContact CG-CD1 4.04Å; F33-F119 AromaticContact CG-CE1 3.25Å; F33-F119 HydrophobicContact CG-CE1 3.25Å; F33-F119 HydrophobicContact CG-CE2 4.27Å; F33-F119 AromaticContact CG-CZ 3.37Å; F33-F119 HydrophobicContact CG-CZ 3.37Å; F33-F119 PolarHBondContact N-O 3.39Å; F45-F119 AromaticContact CE2-CD1 3.76Å; F45-F119 HydrophobicContact CE2-CD1 3.76Å; F45-F119 HydrophobicContact CE2-CE1 4.34Å; F45-F119 HydrophobicContact CZ-CB 4.48Å; F45-F119 AromaticContact CZ-CD1 3.98Å; F45-F119 HydrophobicContact CZ-CD1 3.98Å; L48-F119 HydrophobicContact CD2-CB 4.21Å; L48-F119 HydrophobicContact CD2-CG 4.29Å; I103-F119 HydrophobicContact CG2-CD2 4.45Å; K104-F119 CarbonylContact O-C 3.57Å; K104-F119 WeakPolarHBondContact O-CA 3.27Å; K104-F119 VanDerWaalsContact O-CB 3.29Å; K104-F119 WeakPolarHBondContact O-CB 3.36Å; A105-F119 HydrophobicContact CB-CB 3.6Å; V117-F119 WeakPolarHBondContact CG2-O 3.22Å; F119-V121 HydrophobicContact CD2-CG2 3.99Å; F119-V121 HydrophobicContact CE2-CG2 3.99Å; F119-C139 HydrophobicContact CE2-CB 3.83Å; F119-C139 HydrophobicContact CZ-CB 3.65Å
120T92.8Very high91.4Very high11 Ų1143 Ų437%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-130.7154176.369.10000110.5Y30 S31 I103 K104 V117Y30-T120 HydrophobicContact CE1-CG2 3.95Å; Y30-T120 VanDerWaalsContact CZ-CB 3.49Å; Y30-T120 WeakPolarHBondContact OH-CB 3.47Å; Y30-T120 WeakPolarHBondContact OH-CG2 3.31Å; Y30-T120 PolarHBondContact OH-OG1 3.27Å; S31-T120 CarbonylContact O-C 3.57Å; S31-T120 WeakPolarHBondContact O-CA 3.43Å; S31-T120 WeakPolarHBondContact O-CB 3.34Å; I103-T120 VanDerWaalsContact CA-O 3.23Å; I103-T120 WeakPolarHBondContact CA-O 3.17Å; I103-T120 WeakPolarHBondContact CG2-O 3.4Å; K104-T120 PolarHBondContact N-O 3.46Å; K104-T120 PolarHBondContact O-N 3.25Å; V117-T120 HydrophobicContact CG2-CG2 3.47Å; V117-T120 VanDerWaalsContact CG2-CG2 3.47Å
121V93Very high91.6Very high9 Ų941.6 Ų41.66%0.05523%0.229CC..EExtended strand (participates in β ladder)trans-132.6129.7-178.9-171.40000107.7S31 L101 R102 I103 F119 T132S31-V121 PolarHBondContact N-O 3.29Å; S31-V121 PolarHBondContact O-N 3.48Å; L101-V121 HydrophobicContact CD1-CG1 4.47Å; L101-V121 HydrophobicContact CD2-CG1 4.3Å; R102-V121 WeakPolarHBondContact O-CA 3.33Å; I103-V121 HydrophobicContact CD1-CG2 4.45Å; I103-V121 HydrophobicContact CG1-CB 4.48Å; I103-V121 HydrophobicContact CG1-CG1 4.12Å; I103-V121 HydrophobicContact CG1-CG2 4.14Å; F119-V121 HydrophobicContact CD2-CG2 3.99Å; F119-V121 HydrophobicContact CE2-CG2 3.99Å; V121-T132 HydrophobicContact CB-CG2 4.12Å; V121-T132 HydrophobicContact CG1-CG2 4Å; V121-T132 VanDerWaalsContact O-CG2 3.31Å; V121-T132 WeakPolarHBondContact O-CG2 3.3Å
122E93.2Very high91.7Very high28 Ų2838.3 Ų38.313%0.13121%0.209CC..EExtended strand (participates in β ladder)trans-137.3145.4175.465-174.216000110.5V29 Y30 L101 R102 K104V29-E122 WeakPolarHBondContact O-CA 3Å; Y30-E122 HydrophobicContact CD2-CB 3.72Å; Y30-E122 HydrophobicContact CD2-CG 4.45Å; Y30-E122 HydrophobicContact CE2-CB 4.33Å; L101-E122 CarbonylContact C-O 3.48Å; L101-E122 WeakPolarHBondContact CA-O 3.23Å; R102-E122 HydrophobicContact CB-CG 3.75Å; R102-E122 VanDerWaalsContact CD-OE1 3.3Å; R102-E122 WeakPolarHBondContact CD-OE1 3.45Å; R102-E122 IonicContact CZ-OE1 2.67Å; R102-E122 PolarHBondContact N-O 3.34Å; R102-E122 IonicContact NE-OE1 3.87Å; R102-E122 IonicContact NH1-OE1 3.62Å; R102-E122 PolarHBondContact NH1-OE1 2.89Å; R102-E122 PolarHBondContact O-N 3.4Å; K104-E122 IonicContact NZ-OE1 3.6Å; K104-E122 PolarHBondContact NZ-OE1 3.23Å
123N93.7Very high91.7Very high10 Ų1037 Ų375%0.05320%0.202CC..EExtended strand (participates in β ladder)trans-75.4141.2171.365.6-64.4000110.3T27 S28 V29 L101 D125 T132T27-N123 PolarHBondContact O-ND2 3.06Å; S28-N123 VanDerWaalsContact CA-OD1 3.29Å; S28-N123 WeakPolarHBondContact CA-OD1 3.48Å; V29-N123 PolarHBondContact N-OD1 3.07Å; V29-N123 PolarHBondContact O-OD1 3.27Å; L101-N123 HydrophobicContact CD2-CB 4.36Å; N123-D125 PolarHBondContact ND2-O 3.34Å; N123-T132 PolarHBondContact N-OG1 2.89Å
124T94.4Very high91.7Very high71 Ų7134.1 Ų34.144%0.43618%0.183SC..SBendtrans-98.6-8.5176.957.70000113.2P100 R102P100-T124 WeakPolarHBondContact CA-OG1 3.29Å; P100-T124 WeakPolarHBondContact CB-OG1 3.22Å; P100-T124 PolarHBondContact O-N 3.44Å; P100-T124 PolarHBondContact O-OG1 3.33Å; P100-T124 VanDerWaalsContact O-OG1 3.13Å; R102-T124 HydrophobicContact CB-CG2 3.7Å
125D94.5Very high91.6Very high19 Ų1930.3 Ų30.310%0.10217%0.168CC..SBendtrans-123128.2177.6-178.3-39.9000110.2Y90 H95 P100 N123 C127 V128Y90-D125 PolarHBondContact OH-OD2 3.2Å; H95-D125 IonicContact CD2-OD2 2.81Å; H95-D125 IonicContact CE1-OD2 3.6Å; H95-D125 PolarHBondContact CE1-OD2 3.22Å; H95-D125 IonicContact NE2-OD2 3.58Å; H95-D125 PolarHBondContact NE2-OD2 2.93Å; P100-D125 HydrophobicContact CB-CB 3.95Å; P100-D125 HydrophobicContact CG-CB 4.17Å; N123-D125 PolarHBondContact ND2-O 3.34Å; D125-C127 VanDerWaalsContact C-N 3.3Å; D125-C127 PolarHBondContact O-N 2.99Å; D125-C127 WeakPolarHBondContact OD1-CB 3.43Å; D125-C127 PolarHBondContact OD1-N 3.17Å; D125-V128 HydrophobicContact CB-CG2 3.77Å; D125-V128 WeakPolarHBondContact O-CG2 3.47Å; D125-V128 PolarHBondContact O-N 3.07Å
126P93.7Very high91.2Very high77 Ų7726 Ų2650%0.515%0.15SC..G310 helixtrans-66-24.4-177.128.2-35.8000115.1T27 V128T27-P126 HydrophobicContact CG2-CB 4.1Å; T27-P126 VanDerWaalsContact O-CA 3.31Å; T27-P126 WeakPolarHBondContact O-CA 3.29Å; P126-V128 PolarHBondContact O-N 3.23Å
127C92.8Very high90.3Very high78 Ų7823.8 Ų23.853%0.52714%0.139SC..G310 helixtrans-72.4-13.5179.3-68.70000113.1Y90 D125Y90-C127 HydrophobicContact CD1-CB 4.24Å; Y90-C127 HydrophobicContact CE1-CB 3.65Å; Y90-C127 HydrophobicContact CE2-CB 4.25Å; D125-C127 VanDerWaalsContact C-N 3.3Å; D125-C127 PolarHBondContact O-N 2.99Å; D125-C127 WeakPolarHBondContact OD1-CB 3.43Å; D125-C127 PolarHBondContact OD1-N 3.17Å
128V93.3Very high89.5Confident0 Ų020.8 Ų20.80%012%0.121CC..G310 helixtrans-128.335.8-173.9-64.60000112.6Y90 I91 P100 D125 P126 W130 L131Y90-V128 HydrophobicContact CD1-CG1 3.74Å; Y90-V128 HydrophobicContact CE1-CG1 4.18Å; I91-V128 HydrophobicContact CD1-CG1 4.17Å; I91-V128 HydrophobicContact CG1-CG1 3.85Å; P100-V128 HydrophobicContact CB-CG2 4.49Å; P100-V128 HydrophobicContact CG-CG2 3.47Å; P100-V128 VanDerWaalsContact CG-CG2 3.47Å; D125-V128 HydrophobicContact CB-CG2 3.77Å; D125-V128 WeakPolarHBondContact O-CG2 3.47Å; D125-V128 PolarHBondContact O-N 3.07Å; P126-V128 PolarHBondContact O-N 3.23Å; V128-W130 HydrophobicContact CG1-CZ2 4.39Å; V128-W130 PolarHBondContact O-N 3.27Å; V128-W130 VanDerWaalsContact O-N 3.09Å; V128-L131 HydrophobicContact CB-CB 4.32Å; V128-L131 WeakPolarHBondContact O-CB 3.43Å; V128-L131 PolarHBondContact O-N 3.25Å
129A92Very high88.3Confident4 Ų420.9 Ų20.93%0.03312%0.122CC..G310 helixtrans-53.8-29.5175.700000113.7I26 V29 L131I26-A129 HydrophobicContact CG1-CB 4.5Å; I26-A129 HydrophobicContact CG2-CB 3.89Å; V29-A129 WeakPolarHBondContact CB-O 3.45Å; V29-A129 HydrophobicContact CG2-CB 4.14Å; V29-A129 VanDerWaalsContact CG2-O 3.24Å; V29-A129 WeakPolarHBondContact CG2-O 3.46Å; A129-L131 PolarHBondContact O-N 2.76Å
130W91.9Very high87Confident26 Ų2623.3 Ų23.310%0.09814%0.135CC..G310 helixtrans-66.9-22.2177.458.2-92.2000113.9Y22 N84 W88 I91 V128 T132 W134Y22-W130 HydrophobicContact CD2-CB 4.03Å; Y22-W130 HydrophobicContact CE2-CB 3.66Å; N84-W130 WeakPolarHBondContact ND2-CZ2 3.45Å; N84-W130 PolarHBondContact ND2-NE1 3.24Å; W88-W130 AromaticContact CD1-CH2 3.89Å; W88-W130 AromaticContact CD2-CH2 3.81Å; W88-W130 HydrophobicContact CD2-CH2 3.81Å; W88-W130 AromaticContact CE2-CH2 3.53Å; W88-W130 AromaticContact CE2-CZ3 3.8Å; W88-W130 HydrophobicContact CE3-CH2 4.4Å; W88-W130 HydrophobicContact CG-CH2 4.05Å; W88-W130 AromaticContact CZ2-CH2 3.93Å; W88-W130 HydrophobicContact CZ2-CH2 3.93Å; W88-W130 AromaticContact CZ2-CZ3 3.86Å; W88-W130 HydrophobicContact CZ2-CZ3 3.86Å; W88-W130 AromaticContact NE1-CH2 3.59Å; W88-W130 AromaticContact NE1-CZ3 3.78Å; I91-W130 HydrophobicContact CD1-CH2 4.11Å; I91-W130 HydrophobicContact CD1-CZ2 4.13Å; V128-W130 HydrophobicContact CG1-CZ2 4.39Å; V128-W130 PolarHBondContact O-N 3.27Å; V128-W130 VanDerWaalsContact O-N 3.09Å; W130-T132 VanDerWaalsContact C-N 3.33Å; W130-T132 PolarHBondContact O-N 2.84Å; W130-W134 HydrophobicContact CE3-CE3 4.25Å; W130-W134 HydrophobicContact CZ3-CD2 4.43Å; W130-W134 AromaticContact CZ3-CE3 3.91Å; W130-W134 HydrophobicContact CZ3-CE3 3.91Å; W130-W134 HydrophobicContact CZ3-CZ3 4.36Å
131L93Very high85.9Confident0 Ų025.9 Ų25.90%015%0.149CC..G310 helixtrans-65.7-32.7-173.2-17067.1000112.9W88 I91 L99 P100 L101 V128 A129 N133 W134 F135W88-L131 HydrophobicContact CH2-CD1 3.64Å; W88-L131 HydrophobicContact CZ2-CD1 4.16Å; W88-L131 HydrophobicContact CZ3-CD1 4.04Å; I91-L131 HydrophobicContact CD1-CD1 3.89Å; I91-L131 HydrophobicContact CD1-CD2 3.96Å; L99-L131 HydrophobicContact CB-CD2 4.4Å; L99-L131 HydrophobicContact CD2-CD1 4.43Å; L99-L131 HydrophobicContact CD2-CD2 4.31Å; P100-L131 HydrophobicContact CG-CD2 4.13Å; L101-L131 HydrophobicContact CD1-CD2 4.22Å; L101-L131 HydrophobicContact CD1-CG 4.22Å; L101-L131 HydrophobicContact CD2-CB 4.29Å; L101-L131 HydrophobicContact CD2-CD2 3.97Å; L101-L131 HydrophobicContact CD2-CG 4.06Å; L101-L131 HydrophobicContact CG-CD2 3.86Å; L101-L131 HydrophobicContact CG-CG 4.24Å; V128-L131 HydrophobicContact CB-CB 4.32Å; V128-L131 WeakPolarHBondContact O-CB 3.43Å; V128-L131 PolarHBondContact O-N 3.25Å; A129-L131 PolarHBondContact O-N 2.76Å; L131-N133 PolarHBondContact O-N 3.02Å; L131-N133 VanDerWaalsContact O-N 3.13Å; L131-W134 HydrophobicContact CD1-CB 4.43Å; L131-W134 VanDerWaalsContact O-CB 3.28Å; L131-W134 WeakPolarHBondContact O-CB 3.29Å; L131-W134 PolarHBondContact O-N 2.97Å; L131-F135 HydrophobicContact CD1-CD2 4.37Å; L131-F135 HydrophobicContact CD1-CE2 3.76Å; L131-F135 HydrophobicContact CG-CD2 4.49Å; L131-F135 HydrophobicContact CG-CE2 4.22Å
132T90.9Very high84.4Confident3 Ų325.5 Ų25.52%0.01815%0.146CC..G310 helixtrans-52-41.3-176.6-59.30000112.4V29 V121 N123 W130V29-T132 HydrophobicContact CB-CG2 4.46Å; V29-T132 HydrophobicContact CG1-CG2 4.01Å; V29-T132 WeakPolarHBondContact O-CG2 3.31Å; V29-T132 PolarHBondContact O-OG1 2.74Å; V121-T132 HydrophobicContact CB-CG2 4.12Å; V121-T132 HydrophobicContact CG1-CG2 4Å; V121-T132 VanDerWaalsContact O-CG2 3.31Å; V121-T132 WeakPolarHBondContact O-CG2 3.3Å; N123-T132 PolarHBondContact N-OG1 2.89Å; W130-T132 VanDerWaalsContact C-N 3.33Å; W130-T132 PolarHBondContact O-N 2.84Å
133N87.8Confident82.7Confident6 Ų624.7 Ų24.73%0.03214%0.143CC..G310 helixtrans-92.8-5.2-177-67.9-28.2000113.6K15 Y22 S31 L131 F135 E136K15-N133 VanDerWaalsContact CE-O 3.25Å; K15-N133 WeakPolarHBondContact CE-O 3.23Å; Y22-N133 WeakPolarHBondContact OH-CB 3.49Å; Y22-N133 PolarHBondContact OH-ND2 2.87Å; S31-N133 PolarHBondContact OG-OD1 3.41Å; L131-N133 PolarHBondContact O-N 3.02Å; L131-N133 VanDerWaalsContact O-N 3.13Å; N133-F135 VanDerWaalsContact C-N 3.33Å; N133-E136 WeakPolarHBondContact O-CB 3.15Å
134W87.8Confident81.1Confident5 Ų530.6 Ų30.62%0.01917%0.168CC..THydrogen-bonded Turntrans-63.1-43.5174.1-170.4-86.8000111L8 A11 V16 F83 W88 W130 L131 E136L8-W134 VanDerWaalsContact O-CZ2 3.27Å; L8-W134 WeakPolarHBondContact O-CZ2 3.12Å; A11-W134 HydrophobicContact CB-CD2 3.81Å; A11-W134 HydrophobicContact CB-CG 4.04Å; A11-W134 HydrophobicContact CB-CZ2 4Å; V16-W134 HydrophobicContact CB-CH2 4.45Å; V16-W134 HydrophobicContact CG2-CH2 3.94Å; V16-W134 HydrophobicContact CG2-CZ3 4.41Å; F83-W134 HydrophobicContact CE2-CH2 4.22Å; W88-W134 HydrophobicContact CH2-CG 4.49Å; W88-W134 AromaticContact CZ2-CD1 3.91Å; W88-W134 AromaticContact CZ2-CD2 3.72Å; W88-W134 HydrophobicContact CZ2-CD2 3.72Å; W88-W134 AromaticContact CZ2-CE2 3.49Å; W88-W134 VanDerWaalsContact CZ2-CE2 3.49Å; W88-W134 HydrophobicContact CZ2-CE3 4.26Å; W88-W134 HydrophobicContact CZ2-CG 4Å; W88-W134 HydrophobicContact CZ2-CH2 4.38Å; W88-W134 AromaticContact CZ2-CZ2 3.86Å; W88-W134 HydrophobicContact CZ2-CZ2 3.86Å; W88-W134 AromaticContact CZ2-NE1 3.62Å; W88-W134 AromaticContact NE1-CH2 3.79Å; W88-W134 AromaticContact NE1-CZ2 4Å; W130-W134 HydrophobicContact CE3-CE3 4.25Å; W130-W134 HydrophobicContact CZ3-CD2 4.43Å; W130-W134 AromaticContact CZ3-CE3 3.91Å; W130-W134 HydrophobicContact CZ3-CE3 3.91Å; W130-W134 HydrophobicContact CZ3-CZ3 4.36Å; L131-W134 HydrophobicContact CD1-CB 4.43Å; L131-W134 VanDerWaalsContact O-CB 3.28Å; L131-W134 WeakPolarHBondContact O-CB 3.29Å; L131-W134 PolarHBondContact O-N 2.97Å; W134-E136 VanDerWaalsContact C-N 3.28Å; W134-E136 PolarHBondContact O-N 2.87Å
135F83.7Confident79.1Confident3 Ų329.6 Ų29.61%0.01316%0.16CC..THydrogen-bonded Turntrans-85.46.6-175.2-71.8-83.8000114.8V7 M56 W88 L99 L101 L131 N133 V137 C138 C139V7-F135 HydrophobicContact CG2-CD1 4.49Å; V7-F135 HydrophobicContact CG2-CE1 3.28Å; V7-F135 HydrophobicContact CG2-CZ 3.63Å; M56-F135 HydrophobicContact CE-CB 3.84Å; M56-F135 HydrophobicContact CE-CD1 3.84Å; M56-F135 HydrophobicContact CE-CD2 4.21Å; M56-F135 HydrophobicContact CE-CE1 4.48Å; M56-F135 HydrophobicContact CE-CG 3.68Å; M56-F135 HydrophobicContact CG-CD1 4Å; M56-F135 HydrophobicContact CG-CE1 4.14Å; M56-F135 HydrophobicContact SD-CB 4.39Å; M56-F135 HydrophobicContact SD-CD1 4.01Å; M56-F135 HydrophobicContact SD-CG 4.35Å; W88-F135 HydrophobicContact CH2-CE2 4.23Å; W88-F135 HydrophobicContact CH2-CZ 4.29Å; L99-F135 HydrophobicContact CD1-CD2 4.35Å; L99-F135 HydrophobicContact CD1-CE1 3.73Å; L99-F135 HydrophobicContact CD1-CE2 3.57Å; L99-F135 HydrophobicContact CD1-CZ 3.21Å; L99-F135 HydrophobicContact CD2-CE2 3.92Å; L99-F135 HydrophobicContact CD2-CZ 3.84Å; L99-F135 HydrophobicContact CG-CE2 4.34Å; L99-F135 HydrophobicContact CG-CZ 4.16Å; L101-F135 HydrophobicContact CD1-CD2 3.78Å; L101-F135 HydrophobicContact CD1-CE2 4.26Å; L101-F135 HydrophobicContact CD1-CG 4.45Å; L131-F135 HydrophobicContact CD1-CD2 4.37Å; L131-F135 HydrophobicContact CD1-CE2 3.76Å; L131-F135 HydrophobicContact CG-CD2 4.49Å; L131-F135 HydrophobicContact CG-CE2 4.22Å; N133-F135 VanDerWaalsContact C-N 3.33Å; F135-V137 VanDerWaalsContact C-N 3.31Å; F135-V137 PolarHBondContact O-N 3.33Å; F135-C138 PolarHBondContact O-N 3.4Å; F135-C139 WeakPolarHBondContact O-CB 3.16Å; F135-C139 PolarHBondContact O-N 3.16Å; F135-C139 PolarHBondContact O-SG 3.32Å; F135-C139 VanDerWaalsContact O-SG 3.33Å
136E81.5Confident77.1Confident39 Ų3928.8 Ų28.818%0.18216%0.156CC..Hα-helixtrans-57.6-44.9-178.4-170.3-159.3133.600112K15 N133 W134 C138 C139 L140 L193K15-E136 WeakPolarHBondContact CE-OE2 3.32Å; K15-E136 IonicContact NZ-OE2 2.72Å; K15-E136 PolarHBondContact NZ-OE2 3.47Å; N133-E136 WeakPolarHBondContact O-CB 3.15Å; W134-E136 VanDerWaalsContact C-N 3.28Å; W134-E136 PolarHBondContact O-N 2.87Å; E136-C138 VanDerWaalsContact C-N 3.35Å; E136-C138 PolarHBondContact O-N 3.01Å; E136-C139 PolarHBondContact O-N 2.79Å; E136-L140 HydrophobicContact CG-CD1 4.09Å; E136-L140 WeakPolarHBondContact O-CB 3.48Å; E136-L140 VanDerWaalsContact O-CG 3.3Å; E136-L140 WeakPolarHBondContact O-CG 3.19Å; E136-L140 PolarHBondContact O-N 3.47Å; E136-L193 WeakPolarHBondContact OE1-CD1 3.17Å; E136-L193 VanDerWaalsContact OE2-CD1 3.22Å; E136-L193 WeakPolarHBondContact OE2-CD1 3.44Å; E136-L193 WeakPolarHBondContact OE2-CD2 3.27Å
137V71.8Confident75.2Confident30 Ų3027.6 Ų27.618%0.18215%0.147CC..Hα-helixtrans-63.5-42.2-179.1-176.90000111.4D12 F135 L140 N141D12-V137 HydrophobicContact CB-CG2 4.16Å; D12-V137 VanDerWaalsContact CG-CG2 3.44Å; D12-V137 WeakPolarHBondContact OD2-CG2 2.9Å; F135-V137 VanDerWaalsContact C-N 3.31Å; F135-V137 PolarHBondContact O-N 3.33Å; V137-L140 WeakPolarHBondContact O-CB 3.22Å; V137-L140 PolarHBondContact O-N 3.15Å; V137-N141 PolarHBondContact O-N 3.49Å; V137-N141 PolarHBondContact O-ND2 3.37Å
138C72.9Confident73.2Confident7 Ų727.5 Ų27.55%0.04714%0.141CC..Hα-helixtrans-62.4-46.7177.3-162.60000110.4I51 F135 E136 L140 N141I51-C138 VanDerWaalsContact CD1-O 3.23Å; I51-C138 WeakPolarHBondContact CD1-O 3.33Å; I51-C138 WeakPolarHBondContact CG2-SG 3.4Å; F135-C138 PolarHBondContact O-N 3.4Å; E136-C138 VanDerWaalsContact C-N 3.35Å; E136-C138 PolarHBondContact O-N 3.01Å; C138-L140 VanDerWaalsContact C-N 3.32Å; C138-L140 PolarHBondContact O-N 3.41Å; C138-N141 PolarHBondContact O-N 3Å
139C66.1Low71Confident5 Ų529.8 Ų29.83%0.03416%0.159CC..Hα-helixtrans-66.8-28.7177.7-68.40000113.5F119 F135 E136 N141 V142F119-C139 HydrophobicContact CE2-CB 3.83Å; F119-C139 HydrophobicContact CZ-CB 3.65Å; F135-C139 WeakPolarHBondContact O-CB 3.16Å; F135-C139 PolarHBondContact O-N 3.16Å; F135-C139 PolarHBondContact O-SG 3.32Å; F135-C139 VanDerWaalsContact O-SG 3.33Å; E136-C139 PolarHBondContact O-N 2.79Å; C139-N141 VanDerWaalsContact C-N 3.25Å; C139-N141 PolarHBondContact O-N 3.16Å; C139-V142 VanDerWaalsContact O-CB 3.31Å; C139-V142 WeakPolarHBondContact O-CB 3.46Å; C139-V142 VanDerWaalsContact O-CG2 3.29Å; C139-V142 WeakPolarHBondContact O-CG2 3.39Å; C139-V142 PolarHBondContact O-N 3.32Å
140L67.1Low68.9Low58 Ų5834.2 Ų34.230%0.30418%0.175SC..Hα-helixtrans-63.8-29.1174.9-82.1159.9000112.7F33 E136 V137 C138 V142 V143F33-L140 HydrophobicContact CE2-CD2 3.6Å; F33-L140 HydrophobicContact CE2-CG 4.22Å; F33-L140 HydrophobicContact CZ-CD2 4.32Å; E136-L140 HydrophobicContact CG-CD1 4.09Å; E136-L140 WeakPolarHBondContact O-CB 3.48Å; E136-L140 VanDerWaalsContact O-CG 3.3Å; E136-L140 WeakPolarHBondContact O-CG 3.19Å; E136-L140 PolarHBondContact O-N 3.47Å; V137-L140 WeakPolarHBondContact O-CB 3.22Å; V137-L140 PolarHBondContact O-N 3.15Å; C138-L140 VanDerWaalsContact C-N 3.32Å; C138-L140 PolarHBondContact O-N 3.41Å; L140-V142 PolarHBondContact O-N 3.31Å; L140-V143 PolarHBondContact O-N 3.39Å
141N68.4Low66.5Low66 Ų6638.8 Ų38.835%0.35320%0.196SC..Hα-helixtrans-69.5-19.3178.2-72.1-42.9000113.1I51 V137 C138 C139 V143 K144I51-N141 HydrophobicContact CD1-CB 3.94Å; V137-N141 PolarHBondContact O-N 3.49Å; V137-N141 PolarHBondContact O-ND2 3.37Å; C138-N141 PolarHBondContact O-N 3Å; C139-N141 VanDerWaalsContact C-N 3.25Å; C139-N141 PolarHBondContact O-N 3.16Å; N141-V143 VanDerWaalsContact C-N 3.32Å; N141-V143 PolarHBondContact O-N 3.39Å; N141-K144 PolarHBondContact O-N 2.94Å; N141-K144 PolarHBondContact OD1-NZ 3.33Å
142V61.7Low63.7Low0 Ų045.3 Ų45.30%024%0.238CC..Hα-helixtrans-57-45.4173.8178.70000111.1F45 F46 L48 I51 C139 L140 K144 L145 A146F45-V142 HydrophobicContact CE2-CG1 4.02Å; F46-V142 WeakPolarHBondContact O-CG1 3.48Å; L48-V142 HydrophobicContact CB-CG1 4.04Å; L48-V142 HydrophobicContact CB-CG2 4.24Å; L48-V142 HydrophobicContact CD1-CG2 3.92Å; I51-V142 HydrophobicContact CB-CG2 4.31Å; I51-V142 HydrophobicContact CD1-CG2 3.64Å; I51-V142 HydrophobicContact CG1-CG2 4.08Å; C139-V142 VanDerWaalsContact O-CB 3.31Å; C139-V142 WeakPolarHBondContact O-CB 3.46Å; C139-V142 VanDerWaalsContact O-CG2 3.29Å; C139-V142 WeakPolarHBondContact O-CG2 3.39Å; C139-V142 PolarHBondContact O-N 3.32Å; L140-V142 PolarHBondContact O-N 3.31Å; V142-K144 VanDerWaalsContact C-N 3.33Å; V142-K144 PolarHBondContact O-N 3.37Å; V142-L145 WeakPolarHBondContact O-CB 3.18Å; V142-L145 PolarHBondContact O-N 3.23Å; V142-L145 VanDerWaalsContact O-N 3.16Å; V142-A146 PolarHBondContact O-N 2.85Å
143V58.7Low61.4Low11 Ų1146.5 Ų46.57%0.06724%0.244CC..Hα-helixtrans-75.3-23.1-170.8170.30000113.9F33 L118 L140 N141 L145 A146 V147F33-V143 HydrophobicContact CD1-CG2 3.97Å; F33-V143 HydrophobicContact CE1-CB 4.04Å; F33-V143 HydrophobicContact CE1-CG1 4.36Å; F33-V143 HydrophobicContact CE1-CG2 3.09Å; F33-V143 HydrophobicContact CE2-CG2 4.16Å; F33-V143 HydrophobicContact CZ-CB 3.73Å; F33-V143 HydrophobicContact CZ-CG1 4.23Å; F33-V143 HydrophobicContact CZ-CG2 3.19Å; L118-V143 HydrophobicContact CD1-CG2 4.24Å; L140-V143 PolarHBondContact O-N 3.39Å; N141-V143 VanDerWaalsContact C-N 3.32Å; N141-V143 PolarHBondContact O-N 3.39Å; V143-L145 PolarHBondContact O-N 3.36Å; V143-A146 PolarHBondContact O-N 3.43Å; V143-V147 HydrophobicContact CG1-CG2 3.97Å; V143-V147 PolarHBondContact O-N 3.49Å
144K58.3Low59Low135 Ų13550.8 Ų50.859%0.58727%0.271SS*.Hα-helixtrans-60.7-34.2171.8-66.7176.9-175.6163.10111.3N141 V142 L148N141-K144 PolarHBondContact O-N 2.94Å; N141-K144 PolarHBondContact OD1-NZ 3.33Å; V142-K144 VanDerWaalsContact C-N 3.33Å; V142-K144 PolarHBondContact O-N 3.37Å; K144-L148 WeakPolarHBondContact O-CD1 2.99Å
145L52.4Low56.5Low50 Ų5053.7 Ų53.726%0.26229%0.292SS..Hα-helixtrans-75.7-43.2177.3-61.2169.3000111.6V142 V143V142-L145 WeakPolarHBondContact O-CB 3.18Å; V142-L145 PolarHBondContact O-N 3.23Å; V142-L145 VanDerWaalsContact O-N 3.16Å; V143-L145 PolarHBondContact O-N 3.36Å
146A53.7Low54.4Low2 Ų256.8 Ų56.82%0.01731%0.308CS..Hα-helixtrans-58.8-46-177.300000115.3V43 C44 V142 V143 L148V43-A146 HydrophobicContact CG1-CB 4.06Å; C44-A146 WeakPolarHBondContact O-CA 3.25Å; C44-A146 WeakPolarHBondContact O-CB 3.24Å; V142-A146 PolarHBondContact O-N 2.85Å; V143-A146 PolarHBondContact O-N 3.43Å; A146-L148 PolarHBondContact O-N 3.12Å
147V53.9Low52.2Low51 Ų5158.3 Ų58.331%0.30932%0.317SS..Hα-helixtrans-74.6-25.5-171.1176.10000112.7F40 V43 V143 A149F40-V147 HydrophobicContact CD2-CG1 3.96Å; F40-V147 HydrophobicContact CE2-CG1 4.24Å; V43-V147 HydrophobicContact CG1-CG2 3.85Å; V43-V147 HydrophobicContact CG2-CG2 4.25Å; V143-V147 HydrophobicContact CG1-CG2 3.97Å; V143-V147 PolarHBondContact O-N 3.49Å; V147-A149 VanDerWaalsContact C-N 3.32Å; V147-A149 PolarHBondContact O-N 2.66Å
148L50.8Low50.3Low77 Ų7762.3 Ų62.340%0.40334%0.337SS..Hα-helixtrans-73.9-22.3-175.7-69.8172.1000113.4K144 A146 R150K144-L148 WeakPolarHBondContact O-CD1 2.99Å; A146-L148 PolarHBondContact O-N 3.12Å; L148-R150 PolarHBondContact O-N 2.75Å
149A45.6Very low48.4Very low47 Ų4765.8 Ų65.839%0.38836%0.357SS..THydrogen-bonded Turntrans-69.6-3.4-171.200000115.8V147 L157V147-A149 VanDerWaalsContact C-N 3.32Å; V147-A149 PolarHBondContact O-N 2.66Å; A149-L157 HydrophobicContact CB-CD1 4.3Å
150R49.5Very low46.9Very low97 Ų9769.5 Ų69.537%0.36637%0.373SS..THydrogen-bonded Turntrans-103.4-4.3-170.6-108.2-167.3173.2135.9-11.6117.9Q42 L148Q42-R150 PolarHBondContact O-NH1 3.22Å; L148-R150 PolarHBondContact O-N 2.75Å
151K40.5Very low45.4Very low122 Ų12269.1 Ų69.153%0.5337%0.371SS..SBendtrans-77.3157.2159.9-77.9179.9174.1-174.50107.6I153K151-I153 HydrophobicContact CB-CD1 3.35Å; K151-I153 HydrophobicContact CB-CG1 3.47Å; K151-I153 VanDerWaalsContact CB-CG1 3.47Å; K151-I153 HydrophobicContact CD-CD1 3.93Å; K151-I153 HydrophobicContact CG-CD1 4.21Å; K151-I153 WeakPolarHBondContact O-CB 3.43Å; K151-I153 PolarHBondContact O-N 2.67Å
152P35.2Very low43.5Very low137 Ų13775.2 Ų75.289%0.8939%0.389SS*.SBendtrans-61.990.716827.1-32.3000107.4
153I41.7Very low42.3Very low28 Ų2879.5 Ų79.514%0.14442%0.416CS..  trans-136.387-169.1-73-179.5000105.2K151 I156 L157K151-I153 HydrophobicContact CB-CD1 3.35Å; K151-I153 HydrophobicContact CB-CG1 3.47Å; K151-I153 VanDerWaalsContact CB-CG1 3.47Å; K151-I153 HydrophobicContact CD-CD1 3.93Å; K151-I153 HydrophobicContact CG-CD1 4.21Å; K151-I153 WeakPolarHBondContact O-CB 3.43Å; K151-I153 PolarHBondContact O-N 2.67Å; I153-I156 HydrophobicContact CD1-CB 3.94Å; I153-I156 HydrophobicContact CD1-CD1 3.69Å; I153-I156 HydrophobicContact CD1-CG1 4.38Å; I153-I156 HydrophobicContact CD1-CG2 4.27Å; I153-I156 HydrophobicContact CG1-CB 4.28Å; I153-I156 HydrophobicContact CG1-CD1 4.06Å; I153-I156 HydrophobicContact CG2-CB 3.45Å; I153-I156 VanDerWaalsContact CG2-CB 3.45Å; I153-I156 HydrophobicContact CG2-CG1 4.41Å; I153-I156 HydrophobicContact CG2-CG2 4.34Å; I153-I156 VanDerWaalsContact CG2-N 3.27Å; I153-L157 HydrophobicContact CG2-CB 4.01Å
154T38Very low41.3Very low96 Ų9681.4 Ų81.459%0.58943%0.429SS*.SBendtrans-84-19.2152.623.60000110.4L158 L176T154-L158 WeakPolarHBondContact O-CD1 3.46Å; T154-L176 HydrophobicContact CG2-CD1 4.45Å; T154-L176 WeakPolarHBondContact OG1-CD1 3.11Å
155S34.7Very low40.5Very low66 Ų6679 Ų7946%0.46242%0.419SS..SBendtrans-94.4-54.1-174.245.70000115.8L157 L158 V159S155-L157 PolarHBondContact O-N 2.86Å; S155-L158 PolarHBondContact O-N 2.81Å; S155-V159 WeakPolarHBondContact O-CG2 2.99Å; S155-V159 PolarHBondContact O-N 3.36Å; S155-V159 VanDerWaalsContact O-N 3.15Å
156I40Very low39.5Very low69 Ų6981.7 Ų81.735%0.35444%0.439SS..Hα-helixtrans-66.7-29.9-178.2-64.5158.1000113.7I153 L158 V159 F160I153-I156 HydrophobicContact CD1-CB 3.94Å; I153-I156 HydrophobicContact CD1-CD1 3.69Å; I153-I156 HydrophobicContact CD1-CG1 4.38Å; I153-I156 HydrophobicContact CD1-CG2 4.27Å; I153-I156 HydrophobicContact CG1-CB 4.28Å; I153-I156 HydrophobicContact CG1-CD1 4.06Å; I153-I156 HydrophobicContact CG2-CB 3.45Å; I153-I156 VanDerWaalsContact CG2-CB 3.45Å; I153-I156 HydrophobicContact CG2-CG1 4.41Å; I153-I156 HydrophobicContact CG2-CG2 4.34Å; I153-I156 VanDerWaalsContact CG2-N 3.27Å; I156-L158 VanDerWaalsContact C-N 3.35Å; I156-V159 PolarHBondContact O-N 3.44Å; I156-F160 PolarHBondContact O-N 3.05Å
157L35.6Very low38.5Very low71 Ų7190.4 Ų90.437%0.37248%0.48SS..Hα-helixtrans-66.8-40.6177.7-157.282.7000110.4A149 I153 S155 I161A149-L157 HydrophobicContact CB-CD1 4.3Å; I153-L157 HydrophobicContact CG2-CB 4.01Å; S155-L157 PolarHBondContact O-N 2.86Å; L157-I161 HydrophobicContact CD2-CD1 4.4Å; L157-I161 HydrophobicContact CG-CD1 4.07Å; L157-I161 WeakPolarHBondContact O-CB 3.32Å; L157-I161 WeakPolarHBondContact O-CD1 3.41Å; L157-I161 VanDerWaalsContact O-CG1 3.23Å; L157-I161 WeakPolarHBondContact O-CG1 3.12Å; L157-I161 PolarHBondContact O-N 3.12Å; L157-I161 VanDerWaalsContact O-N 3.16Å
158L31.7Very low37.7Very low114 Ų11492.1 Ų92.160%0.59749%0.486SS*.Hα-helixtrans-62.9-47.4172.1-83.4166.4000110.8T154 S155 I156 F160 I161 W162T154-L158 WeakPolarHBondContact O-CD1 3.46Å; S155-L158 PolarHBondContact O-N 2.81Å; I156-L158 VanDerWaalsContact C-N 3.35Å; L158-F160 PolarHBondContact O-N 3.22Å; L158-I161 PolarHBondContact O-N 3.41Å; L158-W162 WeakPolarHBondContact O-CB 3.49Å; L158-W162 PolarHBondContact O-N 3.25Å
159V33.7Very low36.7Very low79 Ų7995.3 Ų95.348%0.47950%0.503SS..Hα-helixtrans-62.3-42.7-178.6-179.90000112.1S155 I156 W162 T163S155-V159 WeakPolarHBondContact O-CG2 2.99Å; S155-V159 PolarHBondContact O-N 3.36Å; S155-V159 VanDerWaalsContact O-N 3.15Å; I156-V159 PolarHBondContact O-N 3.44Å; V159-W162 PolarHBondContact O-N 2.87Å; V159-T163 HydrophobicContact CG1-CG2 4.06Å; V159-T163 WeakPolarHBondContact O-CB 3.39Å; V159-T163 VanDerWaalsContact O-CG2 3.29Å; V159-T163 WeakPolarHBondContact O-CG2 3.23Å; V159-T163 PolarHBondContact O-N 2.85Å; V159-T163 PolarHBondContact O-OG1 3.45Å
160F33.5Very low35.6Very low84 Ų84103.2 Ų103.237%0.36853%0.529SS..Hα-helixtrans-73.4-37.1-176.8-135.5-88.8000113.1I156 L158 T163 S164I156-F160 PolarHBondContact O-N 3.05Å; L158-F160 PolarHBondContact O-N 3.22Å; F160-T163 PolarHBondContact O-OG1 2.82Å; F160-S164 VanDerWaalsContact O-CB 3.26Å; F160-S164 WeakPolarHBondContact O-CB 3.39Å; F160-S164 PolarHBondContact O-N 3.39Å; F160-S164 PolarHBondContact O-OG 3.46Å
161I36.6Very low34.5Very low50 Ų50104.9 Ų104.926%0.25655%0.55SS..Hα-helixtrans-64.8-43.3170.9-67.1171.2000109.3L157 L158 S164 F165 I168L157-I161 HydrophobicContact CD2-CD1 4.4Å; L157-I161 HydrophobicContact CG-CD1 4.07Å; L157-I161 WeakPolarHBondContact O-CB 3.32Å; L157-I161 WeakPolarHBondContact O-CD1 3.41Å; L157-I161 VanDerWaalsContact O-CG1 3.23Å; L157-I161 WeakPolarHBondContact O-CG1 3.12Å; L157-I161 PolarHBondContact O-N 3.12Å; L157-I161 VanDerWaalsContact O-N 3.16Å; L158-I161 PolarHBondContact O-N 3.41Å; I161-S164 PolarHBondContact O-N 2.83Å; I161-F165 CarbonylContact O-C 3.51Å; I161-F165 VanDerWaalsContact O-C 3.27Å; I161-F165 WeakPolarHBondContact O-CA 3.42Å; I161-F165 PolarHBondContact O-N 3.41Å; I161-F165 VanDerWaalsContact O-O 3.08Å; I161-I168 HydrophobicContact CG2-CB 3.95Å; I161-I168 HydrophobicContact CG2-CD1 4.21Å; I161-I168 HydrophobicContact CG2-CG2 4.17Å
162W27.5Very low33.7Very low193 Ų193106.3 Ų106.373%0.73156%0.563SS**Hα-helixtrans-67.5-39.1-179.8-163.266.8000113.5L158 V159L158-W162 WeakPolarHBondContact O-CB 3.49Å; L158-W162 PolarHBondContact O-N 3.25Å; V159-W162 PolarHBondContact O-N 2.87Å
163T36.3Very low33.3Very low91 Ų91105 Ų10556%0.55856%0.557SS**Hα-helixtrans-78.5-23.917956.60000113.6V159 F160V159-T163 HydrophobicContact CG1-CG2 4.06Å; V159-T163 WeakPolarHBondContact O-CB 3.39Å; V159-T163 VanDerWaalsContact O-CG2 3.29Å; V159-T163 WeakPolarHBondContact O-CG2 3.23Å; V159-T163 PolarHBondContact O-N 2.85Å; V159-T163 PolarHBondContact O-OG1 3.45Å; F160-T163 PolarHBondContact O-OG1 2.82Å
164S37.2Very low32.4Very low51 Ų51111.3 Ų111.336%0.35759%0.586SS.*Hα-helixtrans-102.5-27.3-176.1-43.90000112.6F160 I161F160-S164 VanDerWaalsContact O-CB 3.26Å; F160-S164 WeakPolarHBondContact O-CB 3.39Å; F160-S164 PolarHBondContact O-N 3.39Å; F160-S164 PolarHBondContact O-OG 3.46Å; I161-S164 PolarHBondContact O-N 2.83Å
165F42Very low31.8Very low85 Ų85114 Ų11437%0.37360%0.597SS.*  trans-152.479.4-171.7-57.8-72.2000111.5Y50 I161 E167 I168Y50-F165 HydrophobicContact CE1-CD1 4.42Å; Y50-F165 HydrophobicContact CE1-CE1 4.22Å; Y50-F165 HydrophobicContact CE1-CZ 4.33Å; Y50-F165 WeakPolarHBondContact OH-CD1 3.4Å; Y50-F165 WeakPolarHBondContact OH-CE1 3.48Å; I161-F165 CarbonylContact O-C 3.51Å; I161-F165 VanDerWaalsContact O-C 3.27Å; I161-F165 WeakPolarHBondContact O-CA 3.42Å; I161-F165 PolarHBondContact O-N 3.41Å; I161-F165 VanDerWaalsContact O-O 3.08Å; F165-E167 PolarHBondContact O-N 3.45Å; F165-I168 HydrophobicContact CB-CD1 4.09Å; F165-I168 HydrophobicContact CB-CG1 4.5Å; F165-I168 PolarHBondContact O-N 2.69Å
166P30.8Very low31.6Very low105 Ų105117 Ų11768%0.68261%0.607SS**THydrogen-bonded Turntrans-65.5-6.3-173.924.5-33.2000115.6
167E33.7Very low31Very low185 Ų185119.4 Ų119.486%0.86463%0.627SS**THydrogen-bonded Turntrans-90.7-3.9-176.6-61.7-169.516800114.8F165 L169F165-E167 PolarHBondContact O-N 3.45Å; E167-L169 PolarHBondContact O-N 3.03Å
168I38.1Very low30.7Very low88 Ų88123.4 Ų123.445%0.45165%0.649SS.*SBendtrans-84.787.1-178.5-62175.6000110.5Y50 I161 F165Y50-I168 HydrophobicContact CE2-CD1 4.4Å; I161-I168 HydrophobicContact CG2-CB 3.95Å; I161-I168 HydrophobicContact CG2-CD1 4.21Å; I161-I168 HydrophobicContact CG2-CG2 4.17Å; F165-I168 HydrophobicContact CB-CD1 4.09Å; F165-I168 HydrophobicContact CB-CG1 4.5Å; F165-I168 PolarHBondContact O-N 2.69Å
169L28.5Very low30.4Very low144 Ų144128.2 Ų128.275%0.75466%0.66SS**  trans36.4115.3140.5-86.5144.7000120E167 V171E167-L169 PolarHBondContact O-N 3.03Å; L169-V171 PolarHBondContact O-N 3.06Å
170F23.5Very low29.9Very low212 Ų212131.3 Ų131.393%0.9367%0.674SS**  trans-21.8105.1147.8-80.3-105.1000114.4
171V26.1Very low29.5Very low132 Ų132136.3 Ų136.380%0.870%0.698SS**  trans-125.6121.6153.3-179.30000106.6L169 S173L169-V171 PolarHBondContact O-N 3.06Å; V171-S173 PolarHBondContact O-N 2.83Å
172N23.1Very low28.8Very low153 Ų153145.8 Ų145.882%0.81873%0.731SS**  trans-34.9114.6-169.2-104.3-14.8000114.4E174N172-E174 PolarHBondContact O-N 3.48Å
173S26.3Very low28.7Very low108 Ų108140.3 Ų140.376%0.75573%0.734SS**  trans-9087.4168.2630000109.4V171V171-S173 PolarHBondContact O-N 2.83Å
174E22.9Very low28.1Very low161 Ų161141.2 Ų141.275%0.75274%0.743SS**  trans-115.1111.8160.6-74.2-169.4171.400108.7N172N172-E174 PolarHBondContact O-N 3.48Å
175N25.9Very low27.3Very low153 Ų153149.9 Ų149.982%0.81877%0.768SS**  trans81104.7177.3-51-49.8000116.1
176L31.5Very low26.5Very low130 Ų130154.7 Ų154.768%0.68179%0.791SS**  -172.4142.6125-94.8153.1000111.8T154T154-L176 HydrophobicContact CG2-CD1 4.45Å; T154-L176 WeakPolarHBondContact OG1-CD1 3.11Å
177P26.6Very low26.2Very low118 Ų118156.9 Ų156.977%0.76680%0.797SS**  trans-89.3156.1-176.820-4.6000113.7
178D28.8Very low25.6Very low155 Ų155153.8 Ų153.883%0.82979%0.791SS**  trans-56.8128.6-178.5-119.2-23.8000113.3
179Y25.1Very low25Very low215 Ų215155 Ų15584%0.84380%0.797SS**  trans-177.3139.1138.1-107.1-77.5000110.4
180L24.5Very low24.6Very low145 Ų145157.3 Ų157.376%0.75980%0.801SS**  trans101.963.1167.8-53172.1000117.6R182L180-R182 PolarHBondContact O-N 3.47Å
181Q24.9Very low24.8Very low188 Ų188150.9 Ų150.988%0.87977%0.773SS**  trans-65.5106.9133.8-76179.6-11.100109
182R21.7Very low24.7Very low250 Ų250153.4 Ų153.494%0.94377%0.773SS**  trans171.5120149.8-95.6160.9-158.6-157.17110.5L180L180-R182 PolarHBondContact O-N 3.47Å
183G24.6Very low24.9Very low77 Ų77149.5 Ų149.579%0.79475%0.752SS**  trans122.365.3154.500000116.8
184C23.9Very low24.9Very low111 Ų111146.6 Ų146.675%0.7573%0.729SS**  trans-96.597.6150.4-80.10000108
185R21.3Very low25Very low233 Ų233148.3 Ų148.388%0.87973%0.729SS**  trans-108.9127.1158.5-81-168.5-179.8-163.50.2108.1N187R185-N187 PolarHBondContact O-N 2.73Å
186E24.2Very low25.1Very low185 Ų185147.1 Ų147.186%0.86471%0.713SS**  trans-8.2111.4164.5-64.6166.6169.400115.1
187N25Very low24.9Very low152 Ų152145.3 Ų145.381%0.81370%0.704SS**  trans-99.2104.8158-77.9-43000107.6R185 I189R185-N187 PolarHBondContact O-N 2.73Å; N187-I189 PolarHBondContact O-N 2.94Å
188V21.7Very low25Very low119 Ų119142.4 Ų142.472%0.72169%0.69SS**  trans-65.5100.1168.3178.40000107.7K190V188-K190 HydrophobicContact CG1-CG 4.13Å
189I24.6Very low25.1Very low114 Ų114144 Ų14459%0.58569%0.686SS**  trans-88.1103.6167.1-57.6-178.4000106.5N187 F191N187-I189 PolarHBondContact O-N 2.94Å; I189-F191 HydrophobicContact CG2-CD2 3.32Å; I189-F191 HydrophobicContact CG2-CE2 3.18Å; I189-F191 HydrophobicContact CG2-CZ 4.37Å; I189-F191 PolarHBondContact O-N 3.47Å
190K20Very low25.4Very low192 Ų192148.9 Ų148.984%0.83570%0.702SS**  trans-73.5121.4172.6-78.8-179175.2178.80109.6V188V188-K190 HydrophobicContact CG1-CG 4.13Å
191F27.4Very low25.5Very low78 Ų78149.1 Ų149.134%0.34270%0.699SS.*  trans-131.4140.5167.4-87-81.1000110.9E34 R36 I189E34-F191 WeakPolarHBondContact O-CE1 3.29Å; E34-F191 WeakPolarHBondContact O-CZ 3.45Å; R36-F191 HydrophobicContact CB-CE1 3.67Å; R36-F191 HydrophobicContact CB-CZ 3.93Å; R36-F191 HydrophobicContact CG-CD1 4.21Å; R36-F191 HydrophobicContact CG-CE1 3.44Å; R36-F191 VanDerWaalsContact CG-CE1 3.44Å; R36-F191 HydrophobicContact CG-CZ 4.15Å; I189-F191 HydrophobicContact CG2-CD2 3.32Å; I189-F191 HydrophobicContact CG2-CE2 3.18Å; I189-F191 HydrophobicContact CG2-CZ 4.37Å; I189-F191 PolarHBondContact O-N 3.47Å
192F24Very low25.5Very low184 Ų184147 Ų14781%0.80769%0.69SS**  trans-115.8134.7168.5-121.9-89000109.5R36R36-F192 PolarHBondContact NH1-O 2.72Å
193L27.4Very low25.7Very low72 Ų72141.3 Ų141.338%0.37768%0.676SS.*  trans-86.6152.1-163.5-138.977.6000113.9K15 E136K15-L193 VanDerWaalsContact NZ-CD2 3.31Å; E136-L193 WeakPolarHBondContact OE1-CD1 3.17Å; E136-L193 VanDerWaalsContact OE2-CD1 3.22Å; E136-L193 WeakPolarHBondContact OE2-CD1 3.44Å; E136-L193 WeakPolarHBondContact OE2-CD2 3.27Å
194V27.2Very low25.8Very low46 Ų46145.1 Ų145.128%0.27967%0.669SS.*  trans64.1106.6159.6-163.90000117.6W196V194-W196 HydrophobicContact CG1-CD2 3.44Å; V194-W196 VanDerWaalsContact CG1-CD2 3.44Å; V194-W196 VanDerWaalsContact CG1-CE2 3.42Å; V194-W196 HydrophobicContact CG1-CE3 3.93Å; V194-W196 HydrophobicContact CG1-CG 3.71Å; V194-W196 HydrophobicContact CG1-CH2 4.36Å; V194-W196 HydrophobicContact CG1-CZ2 3.92Å; V194-W196 HydrophobicContact CG1-CZ3 4.34Å
195R24Very low25.9Very low198 Ų198147.2 Ų147.275%0.74766%0.664SS**  trans-92.7106149.2-170.3173.9-176.1176.61.4107.1L197R195-L197 PolarHBondContact O-N 3.33Å; R195-L197 VanDerWaalsContact O-N 3.12Å
196W29.4Very low26.2Very low128 Ų128141.5 Ų141.549%0.48565%0.65SS.*  trans-64.5105.7176.3-61.197.4000109.9Y22 V194Y22-W196 AromaticContact CD1-CH2 3.26Å; Y22-W196 HydrophobicContact CD1-CH2 3.26Å; Y22-W196 AromaticContact CD1-CZ3 3.25Å; Y22-W196 HydrophobicContact CD1-CZ3 3.25Å; Y22-W196 AromaticContact CE1-CH2 3.18Å; Y22-W196 HydrophobicContact CE1-CH2 3.18Å; Y22-W196 AromaticContact CE1-CZ3 3.25Å; Y22-W196 HydrophobicContact CE1-CZ3 3.25Å; Y22-W196 HydrophobicContact CG-CH2 4.38Å; V194-W196 HydrophobicContact CG1-CD2 3.44Å; V194-W196 VanDerWaalsContact CG1-CD2 3.44Å; V194-W196 VanDerWaalsContact CG1-CE2 3.42Å; V194-W196 HydrophobicContact CG1-CE3 3.93Å; V194-W196 HydrophobicContact CG1-CG 3.71Å; V194-W196 HydrophobicContact CG1-CH2 4.36Å; V194-W196 HydrophobicContact CG1-CZ2 3.92Å; V194-W196 HydrophobicContact CG1-CZ3 4.34Å
197L27.1Very low26.4Very low91 Ų91138.4 Ų138.448%0.47663%0.634SS.*  trans-100.275.9159.7-72.5170.6000107.2R195 Y199R195-L197 PolarHBondContact O-N 3.33Å; R195-L197 VanDerWaalsContact O-N 3.12Å; L197-Y199 HydrophobicContact CB-CE2 4.38Å; L197-Y199 PolarHBondContact O-N 3.48Å
198A29Very low26.5Very low58 Ų58137.3 Ų137.348%0.47962%0.621SS.*  trans-73.7104.3165.900000107.2I26 R200I26-A198 HydrophobicContact CD1-CB 3.77Å; A198-R200 PolarHBondContact O-N 2.85Å
199Y31.3Very low26.9Very low189 Ų189138.8 Ų138.874%0.74161%0.612SS**  trans-76.1118.3165.7-83.9-90000107.7L197L197-Y199 HydrophobicContact CB-CE2 4.38Å; L197-Y199 PolarHBondContact O-N 3.48Å
200R31.3Very low27.1Very low316 Ų316141.1 Ų141.1100%1.19262%0.615SS**  trans-80.90167.4-78.3-169.8179.3-165.20.5110.3A198A198-R200 PolarHBondContact O-N 2.85Å

Retrieved 200 of 200 residues in 163.8 ms (Link to these results)

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