A0A3Q0KV93_SCHMA Loading...

Smp_205300

AlphaFold DB , UniProt , Accession A0A3Q0KV93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 111 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
1M50.5Low70.9Confident171 Ų171101.5 Ų101.584%0.84252%0.517SS*.  0107.20-153.7168.7-16700106.7
2N56.1Low72Confident133 Ų13393.3 Ų93.371%0.71148%0.477SS*.  trans-92.1109.7173-81.6-15.6000106.7I4N2-I4 PolarHBondContact O-N 3.42Å
3F65.1Low73Confident64 Ų6493.7 Ų93.728%0.28148%0.475SS..  trans-76.1115.7172.6-165.2-85.7000108F5 Q14 H18F3-F5 AromaticContact CD1-CD1 3.78Å; F3-F5 HydrophobicContact CD1-CD1 3.78Å; F3-F5 AromaticContact CD1-CD2 3.76Å; F3-F5 HydrophobicContact CD1-CD2 3.76Å; F3-F5 AromaticContact CD1-CE1 3.56Å; F3-F5 HydrophobicContact CD1-CE1 3.56Å; F3-F5 AromaticContact CD1-CE2 3.56Å; F3-F5 HydrophobicContact CD1-CE2 3.56Å; F3-F5 AromaticContact CD1-CG 3.86Å; F3-F5 HydrophobicContact CD1-CG 3.86Å; F3-F5 AromaticContact CD1-CZ 3.44Å; F3-F5 HydrophobicContact CD1-CZ 3.44Å; F3-F5 VanDerWaalsContact CD1-CZ 3.44Å; F3-F5 AromaticContact CE1-CD1 3.21Å; F3-F5 HydrophobicContact CE1-CD1 3.21Å; F3-F5 HydrophobicContact CE1-CD2 4.08Å; F3-F5 AromaticContact CE1-CE1 3.11Å; F3-F5 HydrophobicContact CE1-CE1 3.11Å; F3-F5 HydrophobicContact CE1-CE2 4.02Å; F3-F5 AromaticContact CE1-CG 3.7Å; F3-F5 HydrophobicContact CE1-CG 3.7Å; F3-F5 AromaticContact CE1-CZ 3.55Å; F3-F5 HydrophobicContact CE1-CZ 3.55Å; F3-F5 HydrophobicContact CZ-CD1 4.28Å; F3-F5 HydrophobicContact CZ-CE1 4.06Å; F3-Q14 HydrophobicContact CZ-CB 4.41Å; F3-H18 HydrophobicContact CD2-CB 4.31Å; F3-H18 AromaticContact CD2-CD2 3.52Å; F3-H18 AromaticContact CD2-CG 3.71Å; F3-H18 AromaticContact CD2-NE2 3.74Å; F3-H18 HydrophobicContact CE2-CB 3.45Å; F3-H18 VanDerWaalsContact CE2-CB 3.45Å; F3-H18 AromaticContact CE2-CD2 3.56Å; F3-H18 AromaticContact CE2-CG 3.26Å; F3-H18 AromaticContact CE2-ND1 3.66Å; F3-H18 HydrophobicContact CZ-CB 4.02Å
4I67.4Low74.1Confident148 Ų14888.9 Ų88.976%0.75945%0.45SS*.  trans-103.4111.6175.3-60.5173.7000106.3N2N2-I4 PolarHBondContact O-N 3.42Å
5F70.3Confident74.8Confident27 Ų2783.2 Ų83.212%0.11842%0.421CS..  trans-72.9131.8173.1-69.9-78.9000109.4F3 F7 V11 Q14 L15F3-F5 AromaticContact CD1-CD1 3.78Å; F3-F5 HydrophobicContact CD1-CD1 3.78Å; F3-F5 AromaticContact CD1-CD2 3.76Å; F3-F5 HydrophobicContact CD1-CD2 3.76Å; F3-F5 AromaticContact CD1-CE1 3.56Å; F3-F5 HydrophobicContact CD1-CE1 3.56Å; F3-F5 AromaticContact CD1-CE2 3.56Å; F3-F5 HydrophobicContact CD1-CE2 3.56Å; F3-F5 AromaticContact CD1-CG 3.86Å; F3-F5 HydrophobicContact CD1-CG 3.86Å; F3-F5 AromaticContact CD1-CZ 3.44Å; F3-F5 HydrophobicContact CD1-CZ 3.44Å; F3-F5 VanDerWaalsContact CD1-CZ 3.44Å; F3-F5 AromaticContact CE1-CD1 3.21Å; F3-F5 HydrophobicContact CE1-CD1 3.21Å; F3-F5 HydrophobicContact CE1-CD2 4.08Å; F3-F5 AromaticContact CE1-CE1 3.11Å; F3-F5 HydrophobicContact CE1-CE1 3.11Å; F3-F5 HydrophobicContact CE1-CE2 4.02Å; F3-F5 AromaticContact CE1-CG 3.7Å; F3-F5 HydrophobicContact CE1-CG 3.7Å; F3-F5 AromaticContact CE1-CZ 3.55Å; F3-F5 HydrophobicContact CE1-CZ 3.55Å; F3-F5 HydrophobicContact CZ-CD1 4.28Å; F3-F5 HydrophobicContact CZ-CE1 4.06Å; F5-F7 HydrophobicContact CB-CD1 4.45Å; F5-F7 HydrophobicContact CB-CE1 4.18Å; F5-F7 HydrophobicContact CB-CE2 4.45Å; F5-F7 HydrophobicContact CB-CZ 4.19Å; F5-F7 WeakPolarHBondContact O-CD2 3.23Å; F5-F7 PolarHBondContact O-N 3.03Å; F5-V11 HydrophobicContact CB-CG2 4.47Å; F5-V11 HydrophobicContact CD1-CB 4.23Å; F5-V11 HydrophobicContact CD1-CG1 3.52Å; F5-V11 HydrophobicContact CD1-CG2 4.38Å; F5-V11 HydrophobicContact CD2-CG1 4.49Å; F5-V11 HydrophobicContact CE1-CG1 3.61Å; F5-V11 HydrophobicContact CG-CG1 4.02Å; F5-V11 HydrophobicContact CZ-CG1 4.14Å; F5-Q14 HydrophobicContact CD1-CB 4.31Å; F5-L15 HydrophobicContact CE1-CB 4.11Å; F5-L15 HydrophobicContact CE1-CD1 4.48Å; F5-L15 HydrophobicContact CZ-CD1 4.18Å
6D75.5Confident75.6Confident62 Ų6278.4 Ų78.433%0.33240%0.399SS..  trans-75.298.9161.1-179.3-2.1000107.6S8 K9 Q14D6-S8 PolarHBondContact O-N 3.19Å; D6-S8 VanDerWaalsContact O-N 3.09Å; D6-S8 VanDerWaalsContact OD1-CB 3.29Å; D6-S8 WeakPolarHBondContact OD1-CB 3.33Å; D6-S8 PolarHBondContact OD1-N 3.23Å; D6-S8 PolarHBondContact OD1-OG 3.14Å; D6-S8 PolarHBondContact OD2-OG 2.57Å; D6-K9 HydrophobicContact CB-CD 4.44Å; D6-K9 PolarHBondContact O-N 2.83Å; D6-K9 WeakPolarHBondContact OD2-CD 3.41Å; D6-K9 VanDerWaalsContact OD2-CE 3.23Å; D6-K9 WeakPolarHBondContact OD2-CE 3.41Å; D6-K9 IonicContact OD2-NZ 3.51Å; D6-Q14 PolarHBondContact O-NE2 2.89Å
7F74.5Confident76.3Confident151 Ų15180.2 Ų80.266%0.66241%0.405SS*.THydrogen-bonded Turntrans-66.7-6.6-178.7-66.6-75.2000113.5F5 K9 V11F5-F7 HydrophobicContact CB-CD1 4.45Å; F5-F7 HydrophobicContact CB-CE1 4.18Å; F5-F7 HydrophobicContact CB-CE2 4.45Å; F5-F7 HydrophobicContact CB-CZ 4.19Å; F5-F7 WeakPolarHBondContact O-CD2 3.23Å; F5-F7 PolarHBondContact O-N 3.03Å; F7-K9 VanDerWaalsContact C-N 3.27Å; F7-V11 HydrophobicContact CD1-CG2 4.22Å
8S75.1Confident76.9Confident100 Ų10077.5 Ų77.570%0.69939%0.391SS*.THydrogen-bonded Turntrans-78.3-11.217076.10000113.5D6D6-S8 PolarHBondContact O-N 3.19Å; D6-S8 VanDerWaalsContact O-N 3.09Å; D6-S8 VanDerWaalsContact OD1-CB 3.29Å; D6-S8 WeakPolarHBondContact OD1-CB 3.33Å; D6-S8 PolarHBondContact OD1-N 3.23Å; D6-S8 PolarHBondContact OD1-OG 3.14Å; D6-S8 PolarHBondContact OD2-OG 2.57Å
9K77.9Confident77.5Confident130 Ų13073.4 Ų73.457%0.56537%0.37SS*.SBendtrans-118163.3-178.7-67176.1-172.2167.10111.1D6 F7 V11 Q14D6-K9 HydrophobicContact CB-CD 4.44Å; D6-K9 PolarHBondContact O-N 2.83Å; D6-K9 WeakPolarHBondContact OD2-CD 3.41Å; D6-K9 VanDerWaalsContact OD2-CE 3.23Å; D6-K9 WeakPolarHBondContact OD2-CE 3.41Å; D6-K9 IonicContact OD2-NZ 3.51Å; F7-K9 VanDerWaalsContact C-N 3.27Å; K9-V11 PolarHBondContact O-N 2.86Å; K9-Q14 HydrophobicContact CB-CG 4.5Å; K9-Q14 PolarHBondContact O-NE2 3.28Å
10D84.3Confident77.9Confident107 Ų10774.3 Ų74.357%0.57238%0.382SS*.  trans-58.3114174.8-170.5-70.3000110.3G12 Q13 Q14D10-G12 VanDerWaalsContact C-N 3.32Å; D10-G12 WeakPolarHBondContact OD1-CA 3.48Å; D10-G12 PolarHBondContact OD1-N 3.32Å; D10-Q13 HydrophobicContact CB-CB 3.9Å; D10-Q13 PolarHBondContact O-N 2.88Å; D10-Q13 PolarHBondContact OD1-N 3.13Å; D10-Q14 WeakPolarHBondContact O-CG 3.23Å; D10-Q14 PolarHBondContact O-N 3.43Å; D10-Q14 VanDerWaalsContact O-N 3.08Å; D10-Q14 PolarHBondContact O-NE2 3.48Å
11V83Confident78.5Confident24 Ų2478.7 Ų78.715%0.14540%0.399CS..Hα-helixtrans-65.6-38-176.4169.10000110.6F5 F7 K9 Q14 L15 R49F5-V11 HydrophobicContact CB-CG2 4.47Å; F5-V11 HydrophobicContact CD1-CB 4.23Å; F5-V11 HydrophobicContact CD1-CG1 3.52Å; F5-V11 HydrophobicContact CD1-CG2 4.38Å; F5-V11 HydrophobicContact CD2-CG1 4.49Å; F5-V11 HydrophobicContact CE1-CG1 3.61Å; F5-V11 HydrophobicContact CG-CG1 4.02Å; F5-V11 HydrophobicContact CZ-CG1 4.14Å; F7-V11 HydrophobicContact CD1-CG2 4.22Å; K9-V11 PolarHBondContact O-N 2.86Å; V11-Q14 PolarHBondContact O-N 2.92Å; V11-L15 WeakPolarHBondContact O-CB 3.29Å; V11-L15 PolarHBondContact O-N 3.37Å; V11-R49 HydrophobicContact CG1-CB 4.04Å; V11-R49 HydrophobicContact CG1-CG 4.14Å
12G84Confident80.3Confident3 Ų371.7 Ų71.73%0.03137%0.365CS..Hα-helixtrans-65.2-42.817800000111.6D10 L15 G16D10-G12 VanDerWaalsContact C-N 3.32Å; D10-G12 WeakPolarHBondContact OD1-CA 3.48Å; D10-G12 PolarHBondContact OD1-N 3.32Å; G12-L15 WeakPolarHBondContact O-CB 3.47Å; G12-L15 PolarHBondContact O-N 3.08Å; G12-G16 PolarHBondContact O-N 3.4Å
13Q86Confident81.7Confident98 Ų9868.4 Ų68.446%0.45835%0.347SS..Hα-helixtrans-65.6-42.2177.5-168.867.70.700111.7D10 L15 G16 Q17D10-Q13 HydrophobicContact CB-CB 3.9Å; D10-Q13 PolarHBondContact O-N 2.88Å; D10-Q13 PolarHBondContact OD1-N 3.13Å; Q13-L15 VanDerWaalsContact C-N 3.3Å; Q13-L15 PolarHBondContact O-N 3.04Å; Q13-G16 PolarHBondContact O-N 3.35Å; Q13-Q17 WeakPolarHBondContact O-CB 3.28Å; Q13-Q17 VanDerWaalsContact O-CG 3.28Å; Q13-Q17 WeakPolarHBondContact O-CG 3.34Å; Q13-Q17 PolarHBondContact O-N 3.17Å
14Q87.1Confident82.6Confident27 Ų2768.5 Ų68.513%0.12635%0.354CS..Hα-helixtrans-61.5-41.5173.9-74.9173.67800111.8F3 F5 D6 K9 D10 V11 H18F3-Q14 HydrophobicContact CZ-CB 4.41Å; F5-Q14 HydrophobicContact CD1-CB 4.31Å; D6-Q14 PolarHBondContact O-NE2 2.89Å; K9-Q14 HydrophobicContact CB-CG 4.5Å; K9-Q14 PolarHBondContact O-NE2 3.28Å; D10-Q14 WeakPolarHBondContact O-CG 3.23Å; D10-Q14 PolarHBondContact O-N 3.43Å; D10-Q14 VanDerWaalsContact O-N 3.08Å; D10-Q14 PolarHBondContact O-NE2 3.48Å; V11-Q14 PolarHBondContact O-N 2.92Å; Q14-H18 WeakPolarHBondContact O-CB 3.44Å; Q14-H18 PolarHBondContact O-N 3.49Å
15L85.9Confident83.4Confident3 Ų369 Ų692%0.01635%0.351CS..Hα-helixtrans-63.1-48.2176.5-170.953.5000110.6F5 V11 G12 Q13 Q17 H18 L19 F42 L46 T50F5-L15 HydrophobicContact CE1-CB 4.11Å; F5-L15 HydrophobicContact CE1-CD1 4.48Å; F5-L15 HydrophobicContact CZ-CD1 4.18Å; V11-L15 WeakPolarHBondContact O-CB 3.29Å; V11-L15 PolarHBondContact O-N 3.37Å; G12-L15 WeakPolarHBondContact O-CB 3.47Å; G12-L15 PolarHBondContact O-N 3.08Å; Q13-L15 VanDerWaalsContact C-N 3.3Å; Q13-L15 PolarHBondContact O-N 3.04Å; L15-Q17 PolarHBondContact O-N 3.01Å; L15-H18 WeakPolarHBondContact O-CB 3.48Å; L15-H18 PolarHBondContact O-N 3.26Å; L15-H18 VanDerWaalsContact O-N 3.16Å; L15-L19 HydrophobicContact CD1-CD1 4.1Å; L15-L19 HydrophobicContact CD1-CG 4.17Å; L15-L19 HydrophobicContact CG-CD1 3.9Å; L15-L19 HydrophobicContact CG-CG 4.37Å; L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 VanDerWaalsContact O-CG 3.23Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 2.97Å; L15-F42 HydrophobicContact CD1-CE2 4.17Å; L15-F42 HydrophobicContact CD1-CZ 4.04Å; L15-L46 HydrophobicContact CD2-CD2 3.56Å; L15-L46 HydrophobicContact CG-CD2 4.17Å; L15-T50 HydrophobicContact CD2-CG2 4.22Å
16G86.9Confident84.4Confident6 Ų671.7 Ų71.76%0.06236%0.364CS..Hα-helixtrans-60.1-46.5177.200000112.9G12 Q13 H18 L19 C20G12-G16 PolarHBondContact O-N 3.4Å; Q13-G16 PolarHBondContact O-N 3.35Å; G16-H18 PolarHBondContact O-N 3.32Å; G16-L19 PolarHBondContact O-N 2.87Å; G16-C20 WeakPolarHBondContact O-CB 3.41Å; G16-C20 PolarHBondContact O-N 3.16Å; G16-C20 PolarHBondContact O-SG 3Å
17Q88.1Confident85Confident109 Ų10968.9 Ų68.951%0.50935%0.349SS..Hα-helixtrans-59.9-34.8175.7-75.1177.9-4.100113.1Q13 L15 K21Q13-Q17 WeakPolarHBondContact O-CB 3.28Å; Q13-Q17 VanDerWaalsContact O-CG 3.28Å; Q13-Q17 WeakPolarHBondContact O-CG 3.34Å; Q13-Q17 PolarHBondContact O-N 3.17Å; L15-Q17 PolarHBondContact O-N 3.01Å; Q17-K21 WeakPolarHBondContact O-CG 3.41Å
18H87Confident85.5Confident32 Ų3265.6 Ų65.615%0.14834%0.336CS..Hα-helixtrans-71.3-50175.9-173.559.3000111.2F3 Q14 L15 G16 C20 K21F3-H18 HydrophobicContact CD2-CB 4.31Å; F3-H18 AromaticContact CD2-CD2 3.52Å; F3-H18 AromaticContact CD2-CG 3.71Å; F3-H18 AromaticContact CD2-NE2 3.74Å; F3-H18 HydrophobicContact CE2-CB 3.45Å; F3-H18 VanDerWaalsContact CE2-CB 3.45Å; F3-H18 AromaticContact CE2-CD2 3.56Å; F3-H18 AromaticContact CE2-CG 3.26Å; F3-H18 AromaticContact CE2-ND1 3.66Å; F3-H18 HydrophobicContact CZ-CB 4.02Å; Q14-H18 WeakPolarHBondContact O-CB 3.44Å; Q14-H18 PolarHBondContact O-N 3.49Å; L15-H18 WeakPolarHBondContact O-CB 3.48Å; L15-H18 PolarHBondContact O-N 3.26Å; L15-H18 VanDerWaalsContact O-N 3.16Å; G16-H18 PolarHBondContact O-N 3.32Å; H18-C20 VanDerWaalsContact C-N 3.31Å; H18-C20 PolarHBondContact O-N 3.2Å; H18-K21 WeakPolarHBondContact O-CB 3.45Å; H18-K21 PolarHBondContact O-N 3.09Å
19L87.7Confident86.1Confident0 Ų068.9 Ų68.90%033%0.333CS..Hα-helixtrans-61.4-38.6-176.9-70.4177.8000112.4L15 G16 K21 L22 F27 M30 F42 L46 L58 M61L15-L19 HydrophobicContact CD1-CD1 4.1Å; L15-L19 HydrophobicContact CD1-CG 4.17Å; L15-L19 HydrophobicContact CG-CD1 3.9Å; L15-L19 HydrophobicContact CG-CG 4.37Å; L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 VanDerWaalsContact O-CG 3.23Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 2.97Å; G16-L19 PolarHBondContact O-N 2.87Å; L19-K21 PolarHBondContact O-N 3.13Å; L19-K21 VanDerWaalsContact O-N 3.13Å; L19-L22 HydrophobicContact CD2-CD1 4.01Å; L19-L22 PolarHBondContact O-N 3.03Å; L19-L22 VanDerWaalsContact O-N 3.09Å; L19-F27 HydrophobicContact CB-CE2 4.1Å; L19-F27 HydrophobicContact CB-CZ 3.69Å; L19-F27 HydrophobicContact CD1-CZ 4.17Å; L19-F27 HydrophobicContact CD2-CD1 4.32Å; L19-F27 HydrophobicContact CD2-CE1 3.41Å; L19-F27 VanDerWaalsContact CD2-CE1 3.41Å; L19-F27 HydrophobicContact CD2-CE2 4.01Å; L19-F27 HydrophobicContact CD2-CZ 3.24Å; L19-F27 HydrophobicContact CG-CE1 4.37Å; L19-F27 HydrophobicContact CG-CZ 3.84Å; L19-F27 WeakPolarHBondContact O-CE2 3.23Å; L19-M30 HydrophobicContact CD2-CE 3.53Å; L19-M30 HydrophobicContact CD2-SD 4.33Å; L19-F42 HydrophobicContact CD1-CE1 4.36Å; L19-F42 HydrophobicContact CD1-CZ 4.07Å; L19-F42 HydrophobicContact CD2-CE1 3.93Å; L19-F42 HydrophobicContact CD2-CZ 3.57Å; L19-F42 HydrophobicContact CG-CZ 4.34Å; L19-L46 HydrophobicContact CD1-CD2 3.87Å; L19-L58 HydrophobicContact CB-CD2 4.44Å; L19-L58 HydrophobicContact CD1-CB 4.33Å; L19-L58 HydrophobicContact CD1-CD1 4.44Å; L19-L58 HydrophobicContact CD1-CD2 3.98Å; L19-L58 HydrophobicContact CD1-CG 4.46Å; L19-M61 HydrophobicContact CB-CE 4.32Å
20C86.4Confident86.5Confident90 Ų9064 Ų6461%0.60831%0.312SS*.THydrogen-bonded Turntrans-64.3-14.7176.1-67.70000114.4G16 H18G16-C20 WeakPolarHBondContact O-CB 3.41Å; G16-C20 PolarHBondContact O-N 3.16Å; G16-C20 PolarHBondContact O-SG 3Å; H18-C20 VanDerWaalsContact C-N 3.31Å; H18-C20 PolarHBondContact O-N 3.2Å
21K89.1Confident86.5Confident168 Ų16859.1 Ų59.173%0.7329%0.286SS*.THydrogen-bonded Turntrans-95.7-8.6177.2-65.6175.4-177.3179.40113Q17 H18 L19Q17-K21 WeakPolarHBondContact O-CG 3.41Å; H18-K21 WeakPolarHBondContact O-CB 3.45Å; H18-K21 PolarHBondContact O-N 3.09Å; L19-K21 PolarHBondContact O-N 3.13Å; L19-K21 VanDerWaalsContact O-N 3.13Å
22L88.5Confident86.7Confident24 Ų2463 Ų6313%0.12630%0.304CS..  trans-86.2131.6-178.6-58.7-174.5000110.2L19 Q26 F27 M30L19-L22 HydrophobicContact CD2-CD1 4.01Å; L19-L22 PolarHBondContact O-N 3.03Å; L19-L22 VanDerWaalsContact O-N 3.09Å; L22-Q26 HydrophobicContact CB-CB 4.1Å; L22-Q26 HydrophobicContact CD2-CB 4.12Å; L22-F27 HydrophobicContact CB-CD2 3.6Å; L22-F27 HydrophobicContact CB-CE2 4.01Å; L22-F27 HydrophobicContact CB-CG 4.4Å; L22-F27 HydrophobicContact CD1-CD2 4.19Å; L22-F27 HydrophobicContact CD1-CE2 4.42Å; L22-F27 HydrophobicContact CD1-CG 4.4Å; L22-M30 HydrophobicContact CD1-CE 3.91Å; L22-M30 HydrophobicContact CD1-SD 3.97Å
23D86.8Confident86.8Confident63 Ų6365.8 Ų65.834%0.33732%0.317SS..  trans-72.7164.8163.271.160.6000110.9F25 Q26 F27D23-F25 VanDerWaalsContact C-N 3.26Å; D23-F25 PolarHBondContact O-N 3Å; D23-F25 WeakPolarHBondContact OD1-CA 3.46Å; D23-F25 VanDerWaalsContact OD1-CB 3.28Å; D23-F25 WeakPolarHBondContact OD1-CB 3.4Å; D23-F25 PolarHBondContact OD1-N 3.37Å; D23-Q26 WeakPolarHBondContact O-CB 3.42Å; D23-Q26 PolarHBondContact O-N 3.47Å; D23-Q26 VanDerWaalsContact O-N 3.13Å; D23-Q26 PolarHBondContact OD1-N 2.95Å; D23-Q26 VanDerWaalsContact OD2-CG 3.23Å; D23-Q26 WeakPolarHBondContact OD2-CG 3.28Å; D23-Q26 PolarHBondContact OD2-NE2 3.28Å; D23-Q26 VanDerWaalsContact OD2-NE2 3.14Å; D23-F27 PolarHBondContact O-N 3.08Å
24P82.4Confident86.7Confident67 Ų6762.9 Ų62.944%0.43530%0.303SS..Hα-helixtrans-56.5-34.9-179-28.336.5000114.5F27 Q28P24-F27 WeakPolarHBondContact O-CB 3.35Å; P24-F27 PolarHBondContact O-N 3.46Å; P24-Q28 WeakPolarHBondContact O-CG 3.45Å; P24-Q28 PolarHBondContact O-N 3.16Å
25F85.9Confident86.6Confident157 Ų15768 Ų6869%0.68932%0.324SS*.Hα-helixtrans-71.8-37.7178.7-59.3-77.1000111.6D23 F27 Q28 R29D23-F25 VanDerWaalsContact C-N 3.26Å; D23-F25 PolarHBondContact O-N 3Å; D23-F25 WeakPolarHBondContact OD1-CA 3.46Å; D23-F25 VanDerWaalsContact OD1-CB 3.28Å; D23-F25 WeakPolarHBondContact OD1-CB 3.4Å; D23-F25 PolarHBondContact OD1-N 3.37Å; F25-F27 VanDerWaalsContact C-N 3.34Å; F25-Q28 PolarHBondContact O-N 2.89Å; F25-R29 WeakPolarHBondContact O-CB 3.41Å; F25-R29 PolarHBondContact O-N 3.47Å
26Q89.8Confident86.6Confident84 Ų8478 Ų7839%0.39336%0.362SS..Hα-helixtrans-64.3-41173-69.8175.70.600111.3L22 D23 R29 M30L22-Q26 HydrophobicContact CB-CB 4.1Å; L22-Q26 HydrophobicContact CD2-CB 4.12Å; D23-Q26 WeakPolarHBondContact O-CB 3.42Å; D23-Q26 PolarHBondContact O-N 3.47Å; D23-Q26 VanDerWaalsContact O-N 3.13Å; D23-Q26 PolarHBondContact OD1-N 2.95Å; D23-Q26 VanDerWaalsContact OD2-CG 3.23Å; D23-Q26 WeakPolarHBondContact OD2-CG 3.28Å; D23-Q26 PolarHBondContact OD2-NE2 3.28Å; D23-Q26 VanDerWaalsContact OD2-NE2 3.14Å; Q26-R29 PolarHBondContact O-N 3.26Å; Q26-M30 WeakPolarHBondContact O-CB 3.37Å; Q26-M30 PolarHBondContact O-N 2.96Å
27F88.3Confident86.4Confident4 Ų482.1 Ų82.12%0.01838%0.378CS..Hα-helixtrans-59.1-49.1173.4-114.6-74.3000112.2L19 L22 D23 P24 F25 R29 M30 N31 F42 M61L19-F27 HydrophobicContact CB-CE2 4.1Å; L19-F27 HydrophobicContact CB-CZ 3.69Å; L19-F27 HydrophobicContact CD1-CZ 4.17Å; L19-F27 HydrophobicContact CD2-CD1 4.32Å; L19-F27 HydrophobicContact CD2-CE1 3.41Å; L19-F27 VanDerWaalsContact CD2-CE1 3.41Å; L19-F27 HydrophobicContact CD2-CE2 4.01Å; L19-F27 HydrophobicContact CD2-CZ 3.24Å; L19-F27 HydrophobicContact CG-CE1 4.37Å; L19-F27 HydrophobicContact CG-CZ 3.84Å; L19-F27 WeakPolarHBondContact O-CE2 3.23Å; L22-F27 HydrophobicContact CB-CD2 3.6Å; L22-F27 HydrophobicContact CB-CE2 4.01Å; L22-F27 HydrophobicContact CB-CG 4.4Å; L22-F27 HydrophobicContact CD1-CD2 4.19Å; L22-F27 HydrophobicContact CD1-CE2 4.42Å; L22-F27 HydrophobicContact CD1-CG 4.4Å; D23-F27 PolarHBondContact O-N 3.08Å; P24-F27 WeakPolarHBondContact O-CB 3.35Å; P24-F27 PolarHBondContact O-N 3.46Å; F25-F27 VanDerWaalsContact C-N 3.34Å; F27-R29 VanDerWaalsContact C-N 3.33Å; F27-R29 PolarHBondContact O-N 3.24Å; F27-M30 HydrophobicContact CD1-CE 3.8Å; F27-M30 HydrophobicContact CE1-CE 3.96Å; F27-M30 PolarHBondContact O-N 3.3Å; F27-N31 PolarHBondContact O-N 2.8Å; F27-F42 HydrophobicContact CE1-CE1 4.21Å; F27-M61 HydrophobicContact CE2-CE 4.25Å; F27-M61 HydrophobicContact CZ-CB 4.42Å; F27-M61 HydrophobicContact CZ-CE 4.46Å
28Q85Confident85.6Confident81 Ų8183.4 Ų83.438%0.37940%0.396SS..Hα-helixtrans-60.3-43.6176.9-74.2177.3-3.300111.6P24 F25 M30 N31 M32 S65 I66P24-Q28 WeakPolarHBondContact O-CG 3.45Å; P24-Q28 PolarHBondContact O-N 3.16Å; F25-Q28 PolarHBondContact O-N 2.89Å; Q28-M30 PolarHBondContact O-N 3.03Å; Q28-N31 PolarHBondContact O-N 3.09Å; Q28-M32 WeakPolarHBondContact O-CG 3.42Å; Q28-M32 PolarHBondContact O-N 2.87Å; Q28-S65 PolarHBondContact NE2-O 3.21Å; Q28-I66 HydrophobicContact CG-CD1 4.23Å
29R87.6Confident85.1Confident169 Ų16987.6 Ų87.664%0.63842%0.424SS*.Hα-helixtrans-60.2-45.6176-172.5-176.9-64.4-177.10111.7F25 Q26 F27 M32 I33F25-R29 WeakPolarHBondContact O-CB 3.41Å; F25-R29 PolarHBondContact O-N 3.47Å; Q26-R29 PolarHBondContact O-N 3.26Å; F27-R29 VanDerWaalsContact C-N 3.33Å; F27-R29 PolarHBondContact O-N 3.24Å; R29-M32 HydrophobicContact CB-CE 4.43Å; R29-M32 PolarHBondContact O-N 2.97Å; R29-I33 HydrophobicContact CG-CD1 4.35Å; R29-I33 WeakPolarHBondContact O-CG1 3.44Å; R29-I33 PolarHBondContact O-N 3.22Å
30M86.2Confident84.6Confident28 Ų2893.3 Ų93.314%0.13845%0.445CS..Hα-helixtrans-60.3-47.1176.2-177.9-176.861.900110.9L19 L22 Q26 F27 Q28 M32 I33 Y34 F42L19-M30 HydrophobicContact CD2-CE 3.53Å; L19-M30 HydrophobicContact CD2-SD 4.33Å; L22-M30 HydrophobicContact CD1-CE 3.91Å; L22-M30 HydrophobicContact CD1-SD 3.97Å; Q26-M30 WeakPolarHBondContact O-CB 3.37Å; Q26-M30 PolarHBondContact O-N 2.96Å; F27-M30 HydrophobicContact CD1-CE 3.8Å; F27-M30 HydrophobicContact CE1-CE 3.96Å; F27-M30 PolarHBondContact O-N 3.3Å; Q28-M30 PolarHBondContact O-N 3.03Å; M30-M32 VanDerWaalsContact C-N 3.34Å; M30-M32 PolarHBondContact O-N 2.98Å; M30-I33 WeakPolarHBondContact O-CB 3.35Å; M30-I33 PolarHBondContact O-N 3.23Å; M30-I33 VanDerWaalsContact O-N 3.08Å; M30-Y34 HydrophobicContact CG-CD2 4Å; M30-Y34 HydrophobicContact CG-CE2 3.97Å; M30-Y34 WeakPolarHBondContact O-CD2 3.43Å; M30-Y34 PolarHBondContact O-N 3.44Å; M30-F42 HydrophobicContact CE-CD1 3.88Å; M30-F42 HydrophobicContact CE-CD2 4.25Å; M30-F42 HydrophobicContact CE-CE1 3.36Å; M30-F42 HydrophobicContact CE-CE2 3.78Å; M30-F42 HydrophobicContact CE-CG 4.3Å; M30-F42 HydrophobicContact CE-CZ 3.3Å; M30-F42 HydrophobicContact SD-CD2 4.45Å; M30-F42 HydrophobicContact SD-CE2 3.9Å; M30-F42 HydrophobicContact SD-CZ 3.96Å
31N85.2Confident84.4Confident5 Ų593.9 Ų93.93%0.02744%0.439CS..Hα-helixtrans-61.4-41.1177.9-17035000112.4F27 Q28 I33 Y34 K35 Y62 I66F27-N31 PolarHBondContact O-N 2.8Å; Q28-N31 PolarHBondContact O-N 3.09Å; N31-I33 VanDerWaalsContact C-N 3.28Å; N31-I33 PolarHBondContact O-N 3.37Å; N31-Y34 PolarHBondContact O-N 2.9Å; N31-Y34 VanDerWaalsContact O-N 3.17Å; N31-K35 WeakPolarHBondContact O-CG 3.35Å; N31-K35 PolarHBondContact O-N 3.25Å; N31-Y62 HydrophobicContact CB-CE2 4.36Å; N31-Y62 PolarHBondContact OD1-OH 3.41Å; N31-I66 HydrophobicContact CB-CD1 3.4Å; N31-I66 HydrophobicContact CB-CG1 4.2Å; N31-I66 VanDerWaalsContact ND2-CD1 3.35Å; N31-I66 WeakPolarHBondContact ND2-CD1 3.39Å; N31-I66 WeakPolarHBondContact ND2-CG1 3.42Å
32M86.4Confident84.2Confident104 Ų10486 Ų8651%0.51240%0.404SS..Hα-helixtrans-60.3-37.2173.6-73.5-171.2-68.500112.6Q28 R29 M30 R36Q28-M32 WeakPolarHBondContact O-CG 3.42Å; Q28-M32 PolarHBondContact O-N 2.87Å; R29-M32 HydrophobicContact CB-CE 4.43Å; R29-M32 PolarHBondContact O-N 2.97Å; M30-M32 VanDerWaalsContact C-N 3.34Å; M30-M32 PolarHBondContact O-N 2.98Å; M32-R36 WeakPolarHBondContact O-CG 3.5Å; M32-R36 PolarHBondContact O-N 3.35Å
33I86.4Confident84Confident62 Ų6285.5 Ų85.532%0.31841%0.405SS..Hα-helixtrans-65.4-43.3174.8-67.5163.6000110.6R29 M30 N31 R36 K37R29-I33 HydrophobicContact CG-CD1 4.35Å; R29-I33 WeakPolarHBondContact O-CG1 3.44Å; R29-I33 PolarHBondContact O-N 3.22Å; M30-I33 WeakPolarHBondContact O-CB 3.35Å; M30-I33 PolarHBondContact O-N 3.23Å; M30-I33 VanDerWaalsContact O-N 3.08Å; N31-I33 VanDerWaalsContact C-N 3.28Å; N31-I33 PolarHBondContact O-N 3.37Å; I33-R36 PolarHBondContact O-N 2.92Å; I33-K37 PolarHBondContact O-N 3.24Å
34Y83.9Confident83.9Confident38 Ų3886.4 Ų86.415%0.14941%0.407CS..Hα-helixtrans-65.1-40.6176.8-88.2-90.2000112.4M30 N31 R36 K37 F42 V45M30-Y34 HydrophobicContact CG-CD2 4Å; M30-Y34 HydrophobicContact CG-CE2 3.97Å; M30-Y34 WeakPolarHBondContact O-CD2 3.43Å; M30-Y34 PolarHBondContact O-N 3.44Å; N31-Y34 PolarHBondContact O-N 2.9Å; N31-Y34 VanDerWaalsContact O-N 3.17Å; Y34-R36 PolarHBondContact O-N 3.24Å; Y34-R36 VanDerWaalsContact O-N 3.16Å; Y34-K37 PolarHBondContact O-N 3.35Å; Y34-F42 HydrophobicContact CD1-CB 4.14Å; Y34-F42 HydrophobicContact CD1-CD2 4.29Å; Y34-F42 HydrophobicContact CD2-CB 3.95Å; Y34-F42 AromaticContact CD2-CD2 3.68Å; Y34-F42 HydrophobicContact CD2-CD2 3.68Å; Y34-F42 HydrophobicContact CD2-CG 4.13Å; Y34-F42 HydrophobicContact CE1-CD2 4.09Å; Y34-F42 AromaticContact CE2-CD2 3.44Å; Y34-F42 HydrophobicContact CE2-CD2 3.44Å; Y34-F42 VanDerWaalsContact CE2-CD2 3.44Å; Y34-F42 HydrophobicContact CE2-CE2 4.04Å; Y34-F42 HydrophobicContact CE2-CG 4.34Å; Y34-F42 HydrophobicContact CG-CB 3.72Å; Y34-F42 HydrophobicContact CG-CD2 4.1Å; Y34-F42 HydrophobicContact CG-CG 4.35Å; Y34-F42 AromaticContact CZ-CD2 3.65Å; Y34-V45 HydrophobicContact CE1-CG2 3.92Å
35K84.5Confident84Confident133 Ų13383.9 Ų83.958%0.57839%0.391SS*.Hα-helixtrans-60.4-23.5175-75-174.5176-172.80113.8N31N31-K35 WeakPolarHBondContact O-CG 3.35Å; N31-K35 PolarHBondContact O-N 3.25Å
36R86.2Confident84.1Confident214 Ų21476.4 Ų76.481%0.80836%0.358SS*.THydrogen-bonded Turntrans-85.7-12.9175.6-69.4177.2-178.3-173.70.5113.5M32 I33 Y34M32-R36 WeakPolarHBondContact O-CG 3.5Å; M32-R36 PolarHBondContact O-N 3.35Å; I33-R36 PolarHBondContact O-N 2.92Å; Y34-R36 PolarHBondContact O-N 3.24Å; Y34-R36 VanDerWaalsContact O-N 3.16Å
37K81.9Confident83.9Confident93 Ų9378.7 Ų78.740%0.40437%0.369SS..  trans-87.8134178.2-70.4-178.6175.4-176.10109I33 Y34 V39I33-K37 PolarHBondContact O-N 3.24Å; Y34-K37 PolarHBondContact O-N 3.35Å; K37-V39 PolarHBondContact O-N 2.84Å
38P72.4Confident83.8Confident135 Ų13581.5 Ų81.588%0.87739%0.389SS*.SBendtrans-75.1-3.7-178.530.6-35.7000113.8
39V76.2Confident83.8Confident121 Ų12183 Ų8373%0.73339%0.391SS*.SBendtrans-93.3-56.5-163.9-175.50000112.6K37K37-V39 PolarHBondContact O-N 2.84Å
40R76.6Confident83.8Confident120 Ų12075.7 Ų75.745%0.45337%0.365SS..  trans-151.4143.1-179.1-72.6-174.7-168.1-176.80.8110.9E44 V45 S48R40-E44 WeakPolarHBondContact CA-OE2 3.45Å; R40-E44 WeakPolarHBondContact CB-OE2 3.19Å; R40-V45 HydrophobicContact CB-CG2 4.12Å; R40-S48 PolarHBondContact NH1-OG 3.45Å
41Q83.9Confident83.8Confident102 Ų10278.8 Ų78.848%0.47739%0.389SS..  trans-74156.9167.1-57-166.53000110.5G43 E44 V45Q41-G43 VanDerWaalsContact C-N 3.28Å; Q41-G43 PolarHBondContact O-N 3.42Å; Q41-E44 HydrophobicContact CB-CG 4.17Å; Q41-E44 PolarHBondContact N-OE2 2.77Å; Q41-E44 WeakPolarHBondContact O-CB 3.5Å; Q41-E44 PolarHBondContact O-N 2.93Å; Q41-V45 PolarHBondContact O-N 3.41Å
42F84.8Confident84Confident1 Ų183 Ų830%0.00442%0.419CS..Hα-helixtrans-63.7-36-179.6-171.8-113000112.2L15 L19 F27 M30 Y34 E44 V45 L46 Y62L15-F42 HydrophobicContact CD1-CE2 4.17Å; L15-F42 HydrophobicContact CD1-CZ 4.04Å; L19-F42 HydrophobicContact CD1-CE1 4.36Å; L19-F42 HydrophobicContact CD1-CZ 4.07Å; L19-F42 HydrophobicContact CD2-CE1 3.93Å; L19-F42 HydrophobicContact CD2-CZ 3.57Å; L19-F42 HydrophobicContact CG-CZ 4.34Å; F27-F42 HydrophobicContact CE1-CE1 4.21Å; M30-F42 HydrophobicContact CE-CD1 3.88Å; M30-F42 HydrophobicContact CE-CD2 4.25Å; M30-F42 HydrophobicContact CE-CE1 3.36Å; M30-F42 HydrophobicContact CE-CE2 3.78Å; M30-F42 HydrophobicContact CE-CG 4.3Å; M30-F42 HydrophobicContact CE-CZ 3.3Å; M30-F42 HydrophobicContact SD-CD2 4.45Å; M30-F42 HydrophobicContact SD-CE2 3.9Å; M30-F42 HydrophobicContact SD-CZ 3.96Å; Y34-F42 HydrophobicContact CD1-CB 4.14Å; Y34-F42 HydrophobicContact CD1-CD2 4.29Å; Y34-F42 HydrophobicContact CD2-CB 3.95Å; Y34-F42 AromaticContact CD2-CD2 3.68Å; Y34-F42 HydrophobicContact CD2-CD2 3.68Å; Y34-F42 HydrophobicContact CD2-CG 4.13Å; Y34-F42 HydrophobicContact CE1-CD2 4.09Å; Y34-F42 AromaticContact CE2-CD2 3.44Å; Y34-F42 HydrophobicContact CE2-CD2 3.44Å; Y34-F42 VanDerWaalsContact CE2-CD2 3.44Å; Y34-F42 HydrophobicContact CE2-CE2 4.04Å; Y34-F42 HydrophobicContact CE2-CG 4.34Å; Y34-F42 HydrophobicContact CG-CB 3.72Å; Y34-F42 HydrophobicContact CG-CD2 4.1Å; Y34-F42 HydrophobicContact CG-CG 4.35Å; Y34-F42 AromaticContact CZ-CD2 3.65Å; F42-E44 PolarHBondContact O-N 2.71Å; F42-V45 WeakPolarHBondContact O-CB 3.34Å; F42-V45 PolarHBondContact O-N 3Å; F42-V45 VanDerWaalsContact O-N 3.12Å; F42-L46 HydrophobicContact CD1-CD1 4.05Å; F42-L46 HydrophobicContact CD1-CG 4.4Å; F42-L46 HydrophobicContact CE1-CD1 3.83Å; F42-L46 HydrophobicContact CE1-CD2 4.22Å; F42-L46 HydrophobicContact CE1-CG 4.07Å; F42-L46 HydrophobicContact CZ-CD2 4.22Å; F42-L46 HydrophobicContact CZ-CG 4.38Å; F42-L46 PolarHBondContact O-N 2.95Å; F42-Y62 HydrophobicContact CB-CE2 4.27Å; F42-Y62 AromaticContact CD1-CD2 3.54Å; F42-Y62 HydrophobicContact CD1-CD2 3.54Å; F42-Y62 AromaticContact CD1-CE2 3.7Å; F42-Y62 HydrophobicContact CD1-CE2 3.7Å; F42-Y62 HydrophobicContact CD1-CG 4.41Å; F42-Y62 HydrophobicContact CE1-CD2 4.07Å; F42-Y62 HydrophobicContact CG-CE2 4.48Å
43G83.8Confident84.1Confident14 Ų1485.1 Ų85.114%0.14443%0.428CS..Hα-helixtrans-56.2-46.2172.900000112.8Q41 V45 L46 E47Q41-G43 VanDerWaalsContact C-N 3.28Å; Q41-G43 PolarHBondContact O-N 3.42Å; G43-V45 VanDerWaalsContact C-N 3.25Å; G43-V45 PolarHBondContact O-N 3.15Å; G43-L46 WeakPolarHBondContact O-CA 3.34Å; G43-L46 WeakPolarHBondContact O-CB 3.26Å; G43-L46 PolarHBondContact O-N 3.24Å; G43-E47 PolarHBondContact O-N 3.43Å
44E84.5Confident84.2Confident82 Ų8284.6 Ų84.638%0.38343%0.425SS..Hα-helixtrans-64-30.3176.9-60.8164.7-171.300112.5R40 Q41 F42 S48R40-E44 WeakPolarHBondContact CA-OE2 3.45Å; R40-E44 WeakPolarHBondContact CB-OE2 3.19Å; Q41-E44 HydrophobicContact CB-CG 4.17Å; Q41-E44 PolarHBondContact N-OE2 2.77Å; Q41-E44 WeakPolarHBondContact O-CB 3.5Å; Q41-E44 PolarHBondContact O-N 2.93Å; F42-E44 PolarHBondContact O-N 2.71Å; E44-S48 WeakPolarHBondContact O-CB 3.44Å; E44-S48 PolarHBondContact O-N 3.49Å; E44-S48 PolarHBondContact O-OG 3.12Å
45V85.4Confident84.5Confident14 Ų1484.9 Ų84.99%0.08543%0.428CS..Hα-helixtrans-68.6-40.5172.61780000110.6Y34 R40 Q41 F42 G43 S48 R49Y34-V45 HydrophobicContact CE1-CG2 3.92Å; R40-V45 HydrophobicContact CB-CG2 4.12Å; Q41-V45 PolarHBondContact O-N 3.41Å; F42-V45 WeakPolarHBondContact O-CB 3.34Å; F42-V45 PolarHBondContact O-N 3Å; F42-V45 VanDerWaalsContact O-N 3.12Å; G43-V45 VanDerWaalsContact C-N 3.25Å; G43-V45 PolarHBondContact O-N 3.15Å; V45-S48 PolarHBondContact O-N 3.05Å; V45-S48 PolarHBondContact O-OG 3.12Å; V45-R49 HydrophobicContact CG1-CG 4.11Å; V45-R49 VanDerWaalsContact O-CB 3.22Å; V45-R49 WeakPolarHBondContact O-CB 3.21Å; V45-R49 WeakPolarHBondContact O-CG 3.22Å; V45-R49 PolarHBondContact O-N 3.27Å; V45-R49 VanDerWaalsContact O-N 3.12Å
46L87Confident84.8Confident1 Ų183.7 Ų83.71%0.00543%0.428CS..Hα-helixtrans-61.7-50.8175.4-66.7168.6000110.6L15 L19 F42 G43 S48 R49 T50 L58 V59 Y62L15-L46 HydrophobicContact CD2-CD2 3.56Å; L15-L46 HydrophobicContact CG-CD2 4.17Å; L19-L46 HydrophobicContact CD1-CD2 3.87Å; F42-L46 HydrophobicContact CD1-CD1 4.05Å; F42-L46 HydrophobicContact CD1-CG 4.4Å; F42-L46 HydrophobicContact CE1-CD1 3.83Å; F42-L46 HydrophobicContact CE1-CD2 4.22Å; F42-L46 HydrophobicContact CE1-CG 4.07Å; F42-L46 HydrophobicContact CZ-CD2 4.22Å; F42-L46 HydrophobicContact CZ-CG 4.38Å; F42-L46 PolarHBondContact O-N 2.95Å; G43-L46 WeakPolarHBondContact O-CA 3.34Å; G43-L46 WeakPolarHBondContact O-CB 3.26Å; G43-L46 PolarHBondContact O-N 3.24Å; L46-S48 VanDerWaalsContact C-N 3.32Å; L46-S48 PolarHBondContact O-N 3.02Å; L46-R49 PolarHBondContact O-N 3.35Å; L46-T50 PolarHBondContact O-N 2.8Å; L46-T50 VanDerWaalsContact O-N 3.09Å; L46-T50 PolarHBondContact O-OG1 3.45Å; L46-L58 HydrophobicContact CD2-CB 3.97Å; L46-V59 HydrophobicContact CB-CG2 4.39Å; L46-Y62 HydrophobicContact CD1-CD1 4.24Å; L46-Y62 HydrophobicContact CD1-CD2 4.32Å; L46-Y62 HydrophobicContact CD1-CG 3.79Å
47E86.1Confident84.9Confident132 Ų13278.1 Ų78.162%0.61741%0.413SS*.Hα-helixtrans-57.7-41.4178.1-69.9171.1-172.300112.7G43G43-E47 PolarHBondContact O-N 3.43Å
48S85.6Confident85.3Confident62 Ų6273.8 Ų73.843%0.43440%0.395SS..Hα-helixtrans-81.3-13.5-177.961.30000115.3R40 E44 V45 L46R40-S48 PolarHBondContact NH1-OG 3.45Å; E44-S48 WeakPolarHBondContact O-CB 3.44Å; E44-S48 PolarHBondContact O-N 3.49Å; E44-S48 PolarHBondContact O-OG 3.12Å; V45-S48 PolarHBondContact O-N 3.05Å; V45-S48 PolarHBondContact O-OG 3.12Å; L46-S48 VanDerWaalsContact C-N 3.32Å; L46-S48 PolarHBondContact O-N 3.02Å
49R84.3Confident86.2Confident114 Ų11469.1 Ų69.143%0.4336%0.363SS..Hα-helixtrans-121.5-5.6-170.7-61.3-58-168.9176.10.1115V11 V45 L46V11-R49 HydrophobicContact CG1-CB 4.04Å; V11-R49 HydrophobicContact CG1-CG 4.14Å; V45-R49 HydrophobicContact CG1-CG 4.11Å; V45-R49 VanDerWaalsContact O-CB 3.22Å; V45-R49 WeakPolarHBondContact O-CB 3.21Å; V45-R49 WeakPolarHBondContact O-CG 3.22Å; V45-R49 PolarHBondContact O-N 3.27Å; V45-R49 VanDerWaalsContact O-N 3.12Å; L46-R49 PolarHBondContact O-N 3.35Å
50T87.9Confident86.9Confident14 Ų1464.7 Ų64.79%0.08634%0.34CS..  trans-131.7151.4-176.563.10000109.3L15 L46 H55 L58L15-T50 HydrophobicContact CD2-CG2 4.22Å; L46-T50 PolarHBondContact O-N 2.8Å; L46-T50 VanDerWaalsContact O-N 3.09Å; L46-T50 PolarHBondContact O-OG1 3.45Å; T50-H55 WeakPolarHBondContact OG1-CA 3.29Å; T50-H55 WeakPolarHBondContact OG1-CB 3.37Å; T50-H55 PolarHBondContact OG1-ND1 3.46Å; T50-L58 HydrophobicContact CG2-CD1 3.68Å
51S86Confident87.5Confident93 Ų9361.4 Ų61.465%0.6533%0.33SS*.  trans-140.6166.8177.563.10000111.2H55S51-H55 PolarHBondContact O-N 3.29Å
52S89.2Confident87.7Confident93 Ų9357.9 Ų57.965%0.6531%0.312SS*.Hα-helixtrans56.4-145.2173.4-168.60000112.9L54 H55 N56S52-L54 VanDerWaalsContact C-N 3.28Å; S52-L54 PolarHBondContact O-N 3.35Å; S52-H55 WeakPolarHBondContact O-CB 3.35Å; S52-H55 PolarHBondContact O-N 3.18Å; S52-H55 VanDerWaalsContact O-N 3.15Å; S52-N56 PolarHBondContact O-N 3.43Å
53Q89.6Confident87.9Confident150 Ų15061.1 Ų61.170%0.70133%0.33SS*.Hα-helixtrans-58.4-37.6-177.1-66.2178.7-14.100113H55 N56 I57Q53-H55 VanDerWaalsContact C-N 3.33Å; Q53-H55 PolarHBondContact O-N 2.9Å; Q53-N56 PolarHBondContact O-N 3Å; Q53-I57 WeakPolarHBondContact O-CG1 3.26Å; Q53-I57 PolarHBondContact O-N 3Å
54L88.1Confident88.2Confident50 Ų5064.6 Ų64.626%0.26234%0.339SS..Hα-helixtrans-63.2-42.4178-17961.4000111S52 N56 I57 L58S52-L54 VanDerWaalsContact C-N 3.28Å; S52-L54 PolarHBondContact O-N 3.35Å; L54-N56 PolarHBondContact O-N 3.2Å; L54-I57 PolarHBondContact O-N 3.3Å; L54-L58 HydrophobicContact CD1-CD1 3.85Å; L54-L58 HydrophobicContact CD1-CD2 4.34Å; L54-L58 HydrophobicContact CD1-CG 3.94Å; L54-L58 HydrophobicContact CG-CD1 3.91Å; L54-L58 HydrophobicContact CG-CG 4.31Å; L54-L58 VanDerWaalsContact O-CG 3.26Å; L54-L58 WeakPolarHBondContact O-CG 3.34Å; L54-L58 PolarHBondContact O-N 3.36Å
55H90.4Very high88.4Confident44 Ų4461.4 Ų61.420%0.20433%0.326CS..Hα-helixtrans-56.1-51.5174.4176.772.5000111.6T50 S51 S52 Q53 I57 L58 V59T50-H55 WeakPolarHBondContact OG1-CA 3.29Å; T50-H55 WeakPolarHBondContact OG1-CB 3.37Å; T50-H55 PolarHBondContact OG1-ND1 3.46Å; S51-H55 PolarHBondContact O-N 3.29Å; S52-H55 WeakPolarHBondContact O-CB 3.35Å; S52-H55 PolarHBondContact O-N 3.18Å; S52-H55 VanDerWaalsContact O-N 3.15Å; Q53-H55 VanDerWaalsContact C-N 3.33Å; Q53-H55 PolarHBondContact O-N 2.9Å; H55-I57 VanDerWaalsContact C-N 3.3Å; H55-I57 PolarHBondContact O-N 2.91Å; H55-L58 PolarHBondContact O-N 2.9Å; H55-V59 WeakPolarHBondContact CE1-CG2 3.48Å; H55-V59 WeakPolarHBondContact O-CB 3.49Å; H55-V59 WeakPolarHBondContact O-CG2 3.32Å; H55-V59 PolarHBondContact O-N 2.99Å
56N90.4Very high88.4Confident108 Ų10863.1 Ų63.158%0.57833%0.334SS*.Hα-helixtrans-58.3-43-178.3-64.7-7.4000111.8S52 Q53 L54 A60S52-N56 PolarHBondContact O-N 3.43Å; Q53-N56 PolarHBondContact O-N 3Å; L54-N56 PolarHBondContact O-N 3.2Å; N56-A60 VanDerWaalsContact O-CB 3.31Å; N56-A60 WeakPolarHBondContact O-CB 3.39Å; N56-A60 PolarHBondContact O-N 3.18Å
57I89.7Confident88.4Confident98 Ų9866.8 Ų66.850%0.50335%0.354SS..Hα-helixtrans-63.7-48178-67.9165.8000110.8Q53 L54 H55 A60 M61Q53-I57 WeakPolarHBondContact O-CG1 3.26Å; Q53-I57 PolarHBondContact O-N 3Å; L54-I57 PolarHBondContact O-N 3.3Å; H55-I57 VanDerWaalsContact C-N 3.3Å; H55-I57 PolarHBondContact O-N 2.91Å; I57-A60 PolarHBondContact O-N 3.05Å; I57-M61 HydrophobicContact CG2-CG 4.5Å; I57-M61 HydrophobicContact CG2-SD 4.11Å; I57-M61 WeakPolarHBondContact O-CG 3.45Å; I57-M61 PolarHBondContact O-N 3.31Å
58L90.1Very high88.6Confident2 Ų263.8 Ų63.81%0.0134%0.339CS..Hα-helixtrans-70.9-34.8-175.5-61.5-179.2000112.5L19 L46 T50 L54 H55 M61 Y62L19-L58 HydrophobicContact CB-CD2 4.44Å; L19-L58 HydrophobicContact CD1-CB 4.33Å; L19-L58 HydrophobicContact CD1-CD1 4.44Å; L19-L58 HydrophobicContact CD1-CD2 3.98Å; L19-L58 HydrophobicContact CD1-CG 4.46Å; L46-L58 HydrophobicContact CD2-CB 3.97Å; T50-L58 HydrophobicContact CG2-CD1 3.68Å; L54-L58 HydrophobicContact CD1-CD1 3.85Å; L54-L58 HydrophobicContact CD1-CD2 4.34Å; L54-L58 HydrophobicContact CD1-CG 3.94Å; L54-L58 HydrophobicContact CG-CD1 3.91Å; L54-L58 HydrophobicContact CG-CG 4.31Å; L54-L58 VanDerWaalsContact O-CG 3.26Å; L54-L58 WeakPolarHBondContact O-CG 3.34Å; L54-L58 PolarHBondContact O-N 3.36Å; H55-L58 PolarHBondContact O-N 2.9Å; L58-M61 HydrophobicContact CD2-SD 4.06Å; L58-M61 PolarHBondContact O-N 3.15Å; L58-Y62 WeakPolarHBondContact O-CB 3.35Å; L58-Y62 PolarHBondContact O-N 3.48Å
59V90.2Very high89Confident36 Ų3663.3 Ų63.322%0.21833%0.331CS..Hα-helixtrans-65.7-43.3171.61720000110.8L46 H55 M61 Y62 N63L46-V59 HydrophobicContact CB-CG2 4.39Å; H55-V59 WeakPolarHBondContact CE1-CG2 3.48Å; H55-V59 WeakPolarHBondContact O-CB 3.49Å; H55-V59 WeakPolarHBondContact O-CG2 3.32Å; H55-V59 PolarHBondContact O-N 2.99Å; V59-M61 PolarHBondContact O-N 3.17Å; V59-Y62 PolarHBondContact O-N 2.88Å; V59-N63 WeakPolarHBondContact O-CB 3.38Å; V59-N63 PolarHBondContact O-N 3.09Å
60A90.2Very high89.3Confident29 Ų2961.6 Ų61.624%0.2433%0.329CS..Hα-helixtrans-60.5-45.6175.200000111.8N56 I57 Y62 N63 Y64 Y71N56-A60 VanDerWaalsContact O-CB 3.31Å; N56-A60 WeakPolarHBondContact O-CB 3.39Å; N56-A60 PolarHBondContact O-N 3.18Å; I57-A60 PolarHBondContact O-N 3.05Å; A60-Y62 VanDerWaalsContact C-N 3.33Å; A60-Y62 PolarHBondContact O-N 2.61Å; A60-N63 PolarHBondContact O-N 3.47Å; A60-Y64 WeakPolarHBondContact O-CB 3.41Å; A60-Y64 PolarHBondContact O-N 2.89Å; A60-Y71 HydrophobicContact CB-CE2 3.97Å
61M89.2Confident89.6Confident50 Ų5064.2 Ų64.225%0.24634%0.337CS..Hα-helixtrans-59.5-42.7175-72.7177.468.400112.2L19 F27 I57 L58 V59 S65L19-M61 HydrophobicContact CB-CE 4.32Å; F27-M61 HydrophobicContact CE2-CE 4.25Å; F27-M61 HydrophobicContact CZ-CB 4.42Å; F27-M61 HydrophobicContact CZ-CE 4.46Å; I57-M61 HydrophobicContact CG2-CG 4.5Å; I57-M61 HydrophobicContact CG2-SD 4.11Å; I57-M61 WeakPolarHBondContact O-CG 3.45Å; I57-M61 PolarHBondContact O-N 3.31Å; L58-M61 HydrophobicContact CD2-SD 4.06Å; L58-M61 PolarHBondContact O-N 3.15Å; V59-M61 PolarHBondContact O-N 3.17Å; M61-S65 VanDerWaalsContact O-CB 3.29Å; M61-S65 WeakPolarHBondContact O-CB 3.21Å; M61-S65 PolarHBondContact O-N 3.48Å; M61-S65 PolarHBondContact O-OG 2.97Å
62Y89.3Confident90Very high28 Ų2861.1 Ų61.111%0.1131%0.312CS..Hα-helixtrans-62.6-52.9176.8170.6-108.1000111.5N31 F42 L46 L58 V59 A60 Y64 S65 I66N31-Y62 HydrophobicContact CB-CE2 4.36Å; N31-Y62 PolarHBondContact OD1-OH 3.41Å; F42-Y62 HydrophobicContact CB-CE2 4.27Å; F42-Y62 AromaticContact CD1-CD2 3.54Å; F42-Y62 HydrophobicContact CD1-CD2 3.54Å; F42-Y62 AromaticContact CD1-CE2 3.7Å; F42-Y62 HydrophobicContact CD1-CE2 3.7Å; F42-Y62 HydrophobicContact CD1-CG 4.41Å; F42-Y62 HydrophobicContact CE1-CD2 4.07Å; F42-Y62 HydrophobicContact CG-CE2 4.48Å; L46-Y62 HydrophobicContact CD1-CD1 4.24Å; L46-Y62 HydrophobicContact CD1-CD2 4.32Å; L46-Y62 HydrophobicContact CD1-CG 3.79Å; L58-Y62 WeakPolarHBondContact O-CB 3.35Å; L58-Y62 PolarHBondContact O-N 3.48Å; V59-Y62 PolarHBondContact O-N 2.88Å; A60-Y62 VanDerWaalsContact C-N 3.33Å; A60-Y62 PolarHBondContact O-N 2.61Å; Y62-Y64 VanDerWaalsContact C-N 3.35Å; Y62-Y64 PolarHBondContact O-N 3.42Å; Y62-S65 PolarHBondContact O-N 3.4Å; Y62-S65 VanDerWaalsContact O-N 3.15Å; Y62-I66 HydrophobicContact CD2-CG1 3.79Å; Y62-I66 HydrophobicContact CE2-CD1 4.29Å; Y62-I66 HydrophobicContact CE2-CG1 3.5Å; Y62-I66 WeakPolarHBondContact O-CG1 3.47Å; Y62-I66 PolarHBondContact O-N 3.18Å
63N88.9Confident90.2Very high70 Ų7056.8 Ų56.837%0.37428%0.283SS..Hα-helixtrans-61-44.4-179.1-72.5-18.9000111.4V59 A60 S65 I66 N67 Y71V59-N63 WeakPolarHBondContact O-CB 3.38Å; V59-N63 PolarHBondContact O-N 3.09Å; A60-N63 PolarHBondContact O-N 3.47Å; N63-S65 VanDerWaalsContact C-N 3.33Å; N63-S65 PolarHBondContact O-N 2.87Å; N63-I66 PolarHBondContact O-N 2.97Å; N63-N67 CarbonylContact O-C 3.6Å; N63-N67 VanDerWaalsContact O-C 3.31Å; N63-N67 PolarHBondContact O-N 2.63Å; N63-Y71 HydrophobicContact CB-CD2 3.84Å
64Y90Very high90.3Very high87 Ų8752.5 Ų52.534%0.34127%0.267SS..Hα-helixtrans-58-43.9174.8176.4-94.6000112.3A60 Y62 K68 Y71 F72A60-Y64 WeakPolarHBondContact O-CB 3.41Å; A60-Y64 PolarHBondContact O-N 2.89Å; Y62-Y64 VanDerWaalsContact C-N 3.35Å; Y62-Y64 PolarHBondContact O-N 3.42Å; Y64-K68 HydrophobicContact CD2-CG 3.98Å; Y64-K68 HydrophobicContact CE2-CD 3.92Å; Y64-K68 HydrophobicContact CE2-CG 3.63Å; Y64-K68 VanDerWaalsContact O-CA 3.26Å; Y64-K68 WeakPolarHBondContact O-CA 3.15Å; Y64-K68 WeakPolarHBondContact O-CB 3.17Å; Y64-K68 PolarHBondContact O-N 3.23Å; Y64-Y71 AromaticContact CD2-CD1 3.85Å; Y64-Y71 HydrophobicContact CD2-CD1 3.85Å; Y64-Y71 HydrophobicContact CD2-CE1 4.12Å; Y64-Y71 HydrophobicContact CG-CD1 4.5Å; Y64-F72 HydrophobicContact CD2-CE2 4.19Å; Y64-F72 HydrophobicContact CD2-CZ 4.12Å; Y64-F72 AromaticContact CE2-CE2 3.82Å; Y64-F72 HydrophobicContact CE2-CE2 3.82Å; Y64-F72 AromaticContact CE2-CZ 3.81Å; Y64-F72 HydrophobicContact CE2-CZ 3.81Å
65S87.9Confident90.5Very high14 Ų1452.6 Ų52.610%0.09827%0.265CS..Hα-helixtrans-73.5-32.5-175.9-580000113.3Q28 M61 Y62 N63Q28-S65 PolarHBondContact NE2-O 3.21Å; M61-S65 VanDerWaalsContact O-CB 3.29Å; M61-S65 WeakPolarHBondContact O-CB 3.21Å; M61-S65 PolarHBondContact O-N 3.48Å; M61-S65 PolarHBondContact O-OG 2.97Å; Y62-S65 PolarHBondContact O-N 3.4Å; Y62-S65 VanDerWaalsContact O-N 3.15Å; N63-S65 VanDerWaalsContact C-N 3.33Å; N63-S65 PolarHBondContact O-N 2.87Å
66I85.7Confident90.5Very high50 Ų5051.9 Ų51.926%0.25626%0.262SS..Hα-helixtrans-87.8-42.2-177.5-60.5-47.5000112.2Q28 N31 Y62 N63Q28-I66 HydrophobicContact CG-CD1 4.23Å; N31-I66 HydrophobicContact CB-CD1 3.4Å; N31-I66 HydrophobicContact CB-CG1 4.2Å; N31-I66 VanDerWaalsContact ND2-CD1 3.35Å; N31-I66 WeakPolarHBondContact ND2-CD1 3.39Å; N31-I66 WeakPolarHBondContact ND2-CG1 3.42Å; Y62-I66 HydrophobicContact CD2-CG1 3.79Å; Y62-I66 HydrophobicContact CE2-CD1 4.29Å; Y62-I66 HydrophobicContact CE2-CG1 3.5Å; Y62-I66 WeakPolarHBondContact O-CG1 3.47Å; Y62-I66 PolarHBondContact O-N 3.18Å; N63-I66 PolarHBondContact O-N 2.97Å
67N87.7Confident90.6Very high79 Ų7950.6 Ų50.642%0.42225%0.253SS..  trans-146.876.6179.5-167.6-15.1000110.5N63 L69 M70 Y71N63-N67 CarbonylContact O-C 3.6Å; N63-N67 VanDerWaalsContact O-C 3.31Å; N63-N67 PolarHBondContact O-N 2.63Å; N67-L69 VanDerWaalsContact C-N 3.26Å; N67-L69 PolarHBondContact O-N 2.85Å; N67-M70 HydrophobicContact CB-CB 4.04Å; N67-M70 VanDerWaalsContact ND2-CB 3.31Å; N67-M70 WeakPolarHBondContact ND2-CB 3.48Å; N67-M70 PolarHBondContact O-N 2.66Å; N67-M70 WeakPolarHBondContact OD1-CB 3.2Å; N67-M70 PolarHBondContact OD1-N 3.18Å; N67-M70 VanDerWaalsContact OD1-N 3.12Å; N67-Y71 WeakPolarHBondContact O-CB 3.49Å; N67-Y71 PolarHBondContact O-N 3.04Å
68K90.8Very high90.7Very high69 Ų6950 Ų5030%0.325%0.251SS..Hα-helixtrans-49.6-43.8179.9-177.3179.9176.7-158.40113.7Y64 F72 D101Y64-K68 HydrophobicContact CD2-CG 3.98Å; Y64-K68 HydrophobicContact CE2-CD 3.92Å; Y64-K68 HydrophobicContact CE2-CG 3.63Å; Y64-K68 VanDerWaalsContact O-CA 3.26Å; Y64-K68 WeakPolarHBondContact O-CA 3.15Å; Y64-K68 WeakPolarHBondContact O-CB 3.17Å; Y64-K68 PolarHBondContact O-N 3.23Å; K68-F72 HydrophobicContact CD-CE2 4.45Å; K68-F72 HydrophobicContact CG-CD2 4.04Å; K68-F72 HydrophobicContact CG-CE2 3.76Å; K68-F72 WeakPolarHBondContact O-CD2 3.41Å; K68-F72 PolarHBondContact O-N 3.21Å; K68-D101 IonicContact NZ-OD2 3.73Å
69L92.3Very high90.7Very high51 Ų5150.5 Ų50.527%0.26725%0.253SS..Hα-helixtrans-67.1-47.4-178.1-65169.2000111N67 Y71 F72 A73 D101 T104 I105 A108N67-L69 VanDerWaalsContact C-N 3.26Å; N67-L69 PolarHBondContact O-N 2.85Å; L69-Y71 VanDerWaalsContact C-N 3.34Å; L69-F72 PolarHBondContact O-N 3.12Å; L69-A73 PolarHBondContact O-N 3.24Å; L69-D101 HydrophobicContact CD2-CB 4.16Å; L69-T104 HydrophobicContact CD1-CG2 3.51Å; L69-T104 HydrophobicContact CD2-CG2 3.85Å; L69-T104 HydrophobicContact CG-CG2 4.31Å; L69-I105 HydrophobicContact CD2-CG1 3.71Å; L69-A108 HydrophobicContact CB-CB 4.34Å
70M91.8Very high90.5Very high79 Ų7952.8 Ų52.839%0.38926%0.263SS..Hα-helixtrans-65.7-38.3177.5-171.658.767.800111.7N67 F72 A73 T74N67-M70 HydrophobicContact CB-CB 4.04Å; N67-M70 VanDerWaalsContact ND2-CB 3.31Å; N67-M70 WeakPolarHBondContact ND2-CB 3.48Å; N67-M70 PolarHBondContact O-N 2.66Å; N67-M70 WeakPolarHBondContact OD1-CB 3.2Å; N67-M70 PolarHBondContact OD1-N 3.18Å; N67-M70 VanDerWaalsContact OD1-N 3.12Å; M70-F72 VanDerWaalsContact C-N 3.29Å; M70-F72 PolarHBondContact O-N 3.29Å; M70-A73 PolarHBondContact O-N 3.03Å; M70-A73 HydrophobicContact SD-CB 4.35Å; M70-T74 WeakPolarHBondContact O-CB 3.31Å; M70-T74 PolarHBondContact O-N 2.76Å; M70-T74 PolarHBondContact O-OG1 3.09Å
71Y93.5Very high90.5Very high68 Ų6857.5 Ų57.527%0.26728%0.28SS..Hα-helixtrans-53.6-47.9174.1168.3-100.5000111.8A60 N63 Y64 N67 L69 T74 F75A60-Y71 HydrophobicContact CB-CE2 3.97Å; N63-Y71 HydrophobicContact CB-CD2 3.84Å; Y64-Y71 AromaticContact CD2-CD1 3.85Å; Y64-Y71 HydrophobicContact CD2-CD1 3.85Å; Y64-Y71 HydrophobicContact CD2-CE1 4.12Å; Y64-Y71 HydrophobicContact CG-CD1 4.5Å; N67-Y71 WeakPolarHBondContact O-CB 3.49Å; N67-Y71 PolarHBondContact O-N 3.04Å; L69-Y71 VanDerWaalsContact C-N 3.34Å; Y71-T74 PolarHBondContact O-N 3.42Å; Y71-F75 PolarHBondContact O-N 2.95Å
72F94.5Very high90.5Very high28 Ų2859.7 Ų59.712%0.12329%0.288CS..Hα-helixtrans-72.3-34178.1-73.4-52.3000113.5Y64 K68 L69 M70 F75 I76 F93 R97 I105Y64-F72 HydrophobicContact CD2-CE2 4.19Å; Y64-F72 HydrophobicContact CD2-CZ 4.12Å; Y64-F72 AromaticContact CE2-CE2 3.82Å; Y64-F72 HydrophobicContact CE2-CE2 3.82Å; Y64-F72 AromaticContact CE2-CZ 3.81Å; Y64-F72 HydrophobicContact CE2-CZ 3.81Å; K68-F72 HydrophobicContact CD-CE2 4.45Å; K68-F72 HydrophobicContact CG-CD2 4.04Å; K68-F72 HydrophobicContact CG-CE2 3.76Å; K68-F72 WeakPolarHBondContact O-CD2 3.41Å; K68-F72 PolarHBondContact O-N 3.21Å; L69-F72 PolarHBondContact O-N 3.12Å; M70-F72 VanDerWaalsContact C-N 3.29Å; M70-F72 PolarHBondContact O-N 3.29Å; F72-F75 WeakPolarHBondContact O-CB 3.48Å; F72-F75 PolarHBondContact O-N 2.98Å; F72-I76 WeakPolarHBondContact O-CG1 3.48Å; F72-I76 PolarHBondContact O-N 3.3Å; F72-I76 VanDerWaalsContact O-N 3.14Å; F72-F93 HydrophobicContact CB-CE2 3.58Å; F72-F93 HydrophobicContact CB-CZ 3.96Å; F72-F93 AromaticContact CD1-CD2 3.83Å; F72-F93 HydrophobicContact CD1-CD2 3.83Å; F72-F93 AromaticContact CD1-CE2 3.37Å; F72-F93 HydrophobicContact CD1-CE2 3.37Å; F72-F93 HydrophobicContact CE1-CD2 4.33Å; F72-F93 HydrophobicContact CE1-CE2 4.16Å; F72-F93 HydrophobicContact CG-CD2 4.48Å; F72-F93 AromaticContact CG-CE2 3.6Å; F72-F93 HydrophobicContact CG-CE2 3.6Å; F72-F93 HydrophobicContact CG-CZ 4.41Å; F72-R97 VanDerWaalsContact CE2-CZ 3.47Å; F72-I105 HydrophobicContact CB-CD1 3.7Å; F72-I105 HydrophobicContact CB-CG1 4.11Å; F72-I105 HydrophobicContact CB-CG2 3.97Å; F72-I105 HydrophobicContact CD2-CD1 3.84Å; F72-I105 HydrophobicContact CG-CD1 4.04Å
73A93.5Very high90.4Very high3 Ų367.7 Ų67.73%0.02533%0.327CS..Hα-helixtrans-62.3-45.2172.300000111.4L69 M70 F75 I76 H77 I105 Y109L69-A73 PolarHBondContact O-N 3.24Å; M70-A73 PolarHBondContact O-N 3.03Å; M70-A73 HydrophobicContact SD-CB 4.35Å; A73-F75 VanDerWaalsContact C-N 3.35Å; A73-F75 PolarHBondContact O-N 3.17Å; A73-I76 PolarHBondContact O-N 3.31Å; A73-H77 PolarHBondContact O-N 3.02Å; A73-I105 HydrophobicContact CB-CG2 4.27Å; A73-Y109 HydrophobicContact CB-CD2 4.19Å; A73-Y109 WeakPolarHBondContact O-CD2 3.28Å
74T93Very high90.2Very high60 Ų6071.4 Ų71.437%0.36835%0.346SS..Hα-helixtrans-62.6-40.7174.9-560000111.5M70 Y71 I76 H77 D78M70-T74 WeakPolarHBondContact O-CB 3.31Å; M70-T74 PolarHBondContact O-N 2.76Å; M70-T74 PolarHBondContact O-OG1 3.09Å; Y71-T74 PolarHBondContact O-N 3.42Å; T74-I76 PolarHBondContact O-N 3.34Å; T74-H77 WeakPolarHBondContact O-CB 3.33Å; T74-H77 PolarHBondContact O-N 3.16Å; T74-H77 VanDerWaalsContact O-N 3.13Å; T74-D78 WeakPolarHBondContact O-CB 3.5Å; T74-D78 VanDerWaalsContact O-CG 3.23Å; T74-D78 PolarHBondContact O-N 2.92Å
75F92.3Very high90Very high51 Ų5171.3 Ų71.322%0.22435%0.35CS..Hα-helixtrans-55.7-48.6174.6173.9-94.7000112.2Y71 F72 A73 H77 D78 E79 D89 F93Y71-F75 PolarHBondContact O-N 2.95Å; F72-F75 WeakPolarHBondContact O-CB 3.48Å; F72-F75 PolarHBondContact O-N 2.98Å; A73-F75 VanDerWaalsContact C-N 3.35Å; A73-F75 PolarHBondContact O-N 3.17Å; F75-H77 VanDerWaalsContact C-N 3.33Å; F75-H77 PolarHBondContact O-N 3.14Å; F75-D78 PolarHBondContact O-N 3.2Å; F75-E79 HydrophobicContact CE1-CG 4.11Å; F75-E79 HydrophobicContact CE2-CG 4.14Å; F75-E79 HydrophobicContact CZ-CG 3.9Å; F75-E79 WeakPolarHBondContact O-CG 3.34Å; F75-E79 PolarHBondContact O-N 3.37Å; F75-D89 HydrophobicContact CZ-CB 4.21Å; F75-F93 HydrophobicContact CD1-CB 4.3Å; F75-F93 HydrophobicContact CD1-CD2 4.03Å; F75-F93 HydrophobicContact CD1-CG 4.04Å; F75-F93 HydrophobicContact CE1-CB 3.7Å; F75-F93 HydrophobicContact CE1-CD2 4.24Å; F75-F93 AromaticContact CE1-CG 3.94Å; F75-F93 HydrophobicContact CE1-CG 3.94Å
76I90.3Very high89.9Confident29 Ų2973.9 Ų73.915%0.14936%0.363CS..Hα-helixtrans-61.9-43.5176.2-60.3167000110.7F72 A73 T74 D78 E79 L80 F93 I105 Y109F72-I76 WeakPolarHBondContact O-CG1 3.48Å; F72-I76 PolarHBondContact O-N 3.3Å; F72-I76 VanDerWaalsContact O-N 3.14Å; A73-I76 PolarHBondContact O-N 3.31Å; T74-I76 PolarHBondContact O-N 3.34Å; I76-D78 VanDerWaalsContact C-N 3.35Å; I76-D78 PolarHBondContact O-N 2.87Å; I76-E79 PolarHBondContact O-N 2.96Å; I76-L80 HydrophobicContact CG2-CD1 3.79Å; I76-L80 HydrophobicContact CG2-CG 4.29Å; I76-L80 WeakPolarHBondContact O-CB 3.06Å; I76-L80 VanDerWaalsContact O-CG 3.28Å; I76-L80 WeakPolarHBondContact O-CG 3.31Å; I76-L80 PolarHBondContact O-N 3.49Å; I76-L80 VanDerWaalsContact O-N 3.08Å; I76-F93 HydrophobicContact CD1-CD1 4.11Å; I76-F93 HydrophobicContact CD1-CE1 3.26Å; I76-F93 HydrophobicContact CD1-CZ 3.68Å; I76-F93 HydrophobicContact CG1-CD1 3.87Å; I76-F93 HydrophobicContact CG1-CE1 3.49Å; I76-F93 VanDerWaalsContact CG1-CE1 3.49Å; I76-F93 HydrophobicContact CG1-CZ 3.98Å; I76-I105 HydrophobicContact CD1-CG2 4.15Å; I76-Y109 HydrophobicContact CG2-CE2 4.37Å
77H92.2Very high90Very high82 Ų8275.3 Ų75.338%0.3837%0.374SS..Hα-helixtrans-56.7-50.9178.7-172.474.6000111.1A73 T74 F75 L80 H81 Y109A73-H77 PolarHBondContact O-N 3.02Å; T74-H77 WeakPolarHBondContact O-CB 3.33Å; T74-H77 PolarHBondContact O-N 3.16Å; T74-H77 VanDerWaalsContact O-N 3.13Å; F75-H77 VanDerWaalsContact C-N 3.33Å; F75-H77 PolarHBondContact O-N 3.14Å; H77-L80 PolarHBondContact O-N 3.41Å; H77-H81 AromaticContact CE1-CE1 3.22Å; H77-H81 PolarHBondContact CE1-CE1 3.39Å; H77-H81 AromaticContact CE1-ND1 3.59Å; H77-H81 AromaticContact CE1-NE2 3.83Å; H77-H81 AromaticContact CG-ND1 4Å; H77-H81 AromaticContact ND1-CE1 3.45Å; H77-H81 PolarHBondContact ND1-CE1 3.48Å; H77-H81 AromaticContact ND1-ND1 3.7Å; H77-H81 AromaticContact NE2-CE1 3.87Å; H77-H81 AromaticContact NE2-ND1 3.82Å; H77-H81 PolarHBondContact O-N 3.27Å; H77-H81 PolarHBondContact O-ND1 2.81Å; H77-Y109 HydrophobicContact CB-CE2 3.76Å
78D91.3Very high90.1Very high85 Ų8576.4 Ų76.446%0.45538%0.379SS..Hα-helixtrans-64.1-45.4-176.6-67-12.1000110.8T74 F75 I76 L80 H81 K82T74-D78 WeakPolarHBondContact O-CB 3.5Å; T74-D78 VanDerWaalsContact O-CG 3.23Å; T74-D78 PolarHBondContact O-N 2.92Å; F75-D78 PolarHBondContact O-N 3.2Å; I76-D78 VanDerWaalsContact C-N 3.35Å; I76-D78 PolarHBondContact O-N 2.87Å; D78-L80 VanDerWaalsContact C-N 3.33Å; D78-L80 PolarHBondContact O-N 2.86Å; D78-H81 PolarHBondContact O-N 2.89Å; D78-K82 WeakPolarHBondContact O-CG 3.33Å; D78-K82 PolarHBondContact O-N 3.08Å
79E89.2Confident90Very high12 Ų1275.8 Ų75.86%0.05638%0.379CS..Hα-helixtrans-61.2-38.5177.3-68.8-51.5139.800112.9F75 I76 H81 K82 V90F75-E79 HydrophobicContact CE1-CG 4.11Å; F75-E79 HydrophobicContact CE2-CG 4.14Å; F75-E79 HydrophobicContact CZ-CG 3.9Å; F75-E79 WeakPolarHBondContact O-CG 3.34Å; F75-E79 PolarHBondContact O-N 3.37Å; I76-E79 PolarHBondContact O-N 2.96Å; E79-H81 VanDerWaalsContact C-N 3.3Å; E79-H81 PolarHBondContact O-N 3.01Å; E79-K82 WeakPolarHBondContact OE1-CE 3.41Å; E79-K82 IonicContact OE1-NZ 3.41Å; E79-K82 PolarHBondContact OE1-NZ 3.17Å; E79-K82 WeakPolarHBondContact OE2-CD 3.4Å; E79-K82 WeakPolarHBondContact OE2-CE 3.49Å; E79-K82 IonicContact OE2-NZ 2.97Å; E79-K82 PolarHBondContact OE2-NZ 3.47Å; E79-V90 HydrophobicContact CB-CG2 3.66Å; E79-V90 HydrophobicContact CG-CG2 3.98Å
80L87.2Confident90Very high84 Ų8474.6 Ų74.644%0.4437%0.374SS..Hα-helixtrans-70.7-24179.4-72.3175.1000113.6I76 H77 D78I76-L80 HydrophobicContact CG2-CD1 3.79Å; I76-L80 HydrophobicContact CG2-CG 4.29Å; I76-L80 WeakPolarHBondContact O-CB 3.06Å; I76-L80 VanDerWaalsContact O-CG 3.28Å; I76-L80 WeakPolarHBondContact O-CG 3.31Å; I76-L80 PolarHBondContact O-N 3.49Å; I76-L80 VanDerWaalsContact O-N 3.08Å; H77-L80 PolarHBondContact O-N 3.41Å; D78-L80 VanDerWaalsContact C-N 3.33Å; D78-L80 PolarHBondContact O-N 2.86Å
81H89.4Confident90Very high129 Ų12975.7 Ų75.760%0.59738%0.378SS*.THydrogen-bonded Turntrans-102.65-177.5-66.581000113.5H77 D78 E79H77-H81 AromaticContact CE1-CE1 3.22Å; H77-H81 PolarHBondContact CE1-CE1 3.39Å; H77-H81 AromaticContact CE1-ND1 3.59Å; H77-H81 AromaticContact CE1-NE2 3.83Å; H77-H81 AromaticContact CG-ND1 4Å; H77-H81 AromaticContact ND1-CE1 3.45Å; H77-H81 PolarHBondContact ND1-CE1 3.48Å; H77-H81 AromaticContact ND1-ND1 3.7Å; H77-H81 AromaticContact NE2-CE1 3.87Å; H77-H81 AromaticContact NE2-ND1 3.82Å; H77-H81 PolarHBondContact O-N 3.27Å; H77-H81 PolarHBondContact O-ND1 2.81Å; D78-H81 PolarHBondContact O-N 2.89Å; E79-H81 VanDerWaalsContact C-N 3.3Å; E79-H81 PolarHBondContact O-N 3.01Å
82K89.4Confident90Very high96 Ų9679 Ų7942%0.41739%0.39SS..SBendtrans-70.5148.2167.6-74.6175.1-171.2175.80110.7D78 E79 L84D78-K82 WeakPolarHBondContact O-CG 3.33Å; D78-K82 PolarHBondContact O-N 3.08Å; E79-K82 WeakPolarHBondContact OE1-CE 3.41Å; E79-K82 IonicContact OE1-NZ 3.41Å; E79-K82 PolarHBondContact OE1-NZ 3.17Å; E79-K82 WeakPolarHBondContact OE2-CD 3.4Å; E79-K82 WeakPolarHBondContact OE2-CE 3.49Å; E79-K82 IonicContact OE2-NZ 2.97Å; E79-K82 PolarHBondContact OE2-NZ 3.47Å; K82-L84 WeakPolarHBondContact CB-O 3.47Å; K82-L84 PolarHBondContact O-N 3.14Å
83E86.8Confident89.9Confident195 Ų19578.3 Ų78.391%0.91139%0.387SS*.SBendtrans-58.9-37.3172.4-175.7177.8-167.600111.8
84L86.1Confident89.9Confident148 Ų14881.9 Ų81.978%0.77541%0.405SS*.SBendtrans-121.2113.9172.9-65.6173.1000108.8K82K82-L84 WeakPolarHBondContact CB-O 3.47Å; K82-L84 PolarHBondContact O-N 3.14Å
85I85Confident90Very high86 Ų8685.2 Ų85.244%0.44142%0.42SS..  trans-74.5126.6177.8-57.3175.7000109.1V87 V90I85-V87 HydrophobicContact CG2-CG2 4.28Å; I85-V87 PolarHBondContact O-N 3.3Å; I85-V87 VanDerWaalsContact O-N 3.13Å; I85-V90 HydrophobicContact CG2-CG2 4.44Å
86D85.6Confident90.1Very high68 Ų6890 Ų9036%0.36444%0.441SS..  trans-80.889.6166.6-165.4-33.1000109.8L88 D89 V90D86-L88 PolarHBondContact O-N 3.3Å; D86-L88 WeakPolarHBondContact OD1-CB 3.48Å; D86-L88 PolarHBondContact OD1-N 3.42Å; D86-L88 VanDerWaalsContact OD1-N 3.09Å; D86-D89 HydrophobicContact CB-CB 4.22Å; D86-D89 PolarHBondContact O-N 2.96Å; D86-D89 PolarHBondContact OD1-N 3.38Å; D86-V90 PolarHBondContact O-N 3.32Å
87V87.5Confident90.3Very high80 Ų8089.7 Ų89.749%0.48544%0.438SS..Hα-helixtrans-59.6-32.1-178178.50000111.7I85 Q91I85-V87 HydrophobicContact CG2-CG2 4.28Å; I85-V87 PolarHBondContact O-N 3.3Å; I85-V87 VanDerWaalsContact O-N 3.13Å; V87-Q91 HydrophobicContact CG1-CG 4.16Å; V87-Q91 WeakPolarHBondContact O-CB 3.48Å; V87-Q91 VanDerWaalsContact O-CG 3.24Å; V87-Q91 WeakPolarHBondContact O-CG 3.4Å; V87-Q91 PolarHBondContact O-N 3.03Å
88L91.6Very high90.5Very high102 Ų10288.9 Ų88.953%0.53444%0.441SS..Hα-helixtrans-68.6-40.9-178-68.4175.2000111.2D86 Q91 R92D86-L88 PolarHBondContact O-N 3.3Å; D86-L88 WeakPolarHBondContact OD1-CB 3.48Å; D86-L88 PolarHBondContact OD1-N 3.42Å; D86-L88 VanDerWaalsContact OD1-N 3.09Å; L88-Q91 PolarHBondContact O-N 3.28Å; L88-R92 WeakPolarHBondContact O-CB 3.22Å; L88-R92 VanDerWaalsContact O-CG 3.22Å; L88-R92 WeakPolarHBondContact O-CG 3.37Å; L88-R92 PolarHBondContact O-N 2.92Å
89D88.5Confident90.7Very high56 Ų5693.8 Ų93.830%0.29946%0.462SS..Hα-helixtrans-69.2-39.8179.5-81.2-6000111.9F75 D86 R92 F93F75-D89 HydrophobicContact CZ-CB 4.21Å; D86-D89 HydrophobicContact CB-CB 4.22Å; D86-D89 PolarHBondContact O-N 2.96Å; D86-D89 PolarHBondContact OD1-N 3.38Å; D89-R92 IonicContact OD1-NH1 2.7Å; D89-R92 PolarHBondContact OD1-NH1 3.46Å; D89-F93 WeakPolarHBondContact O-CB 3.3Å; D89-F93 PolarHBondContact O-N 2.96Å
90V90.6Very high90.9Very high25 Ų2598.4 Ų98.415%0.15249%0.486CS..Hα-helixtrans-63.9-45.7172.9178.70000111.4E79 I85 D86 F93 L94E79-V90 HydrophobicContact CB-CG2 3.66Å; E79-V90 HydrophobicContact CG-CG2 3.98Å; I85-V90 HydrophobicContact CG2-CG2 4.44Å; D86-V90 PolarHBondContact O-N 3.32Å; V90-F93 WeakPolarHBondContact O-CB 3.47Å; V90-F93 PolarHBondContact O-N 3.3Å; V90-L94 HydrophobicContact CG1-CD1 4.14Å; V90-L94 HydrophobicContact CG1-CG 4.47Å; V90-L94 WeakPolarHBondContact O-CG 3.41Å; V90-L94 PolarHBondContact O-N 2.95Å
91Q93Very high91.3Very high103 Ų10395.5 Ų95.548%0.48147%0.471SS..Hα-helixtrans-62-45.2178.3-77.9178.1-10.700112.1V87 L88 F93 L94 L95V87-Q91 HydrophobicContact CG1-CG 4.16Å; V87-Q91 WeakPolarHBondContact O-CB 3.48Å; V87-Q91 VanDerWaalsContact O-CG 3.24Å; V87-Q91 WeakPolarHBondContact O-CG 3.4Å; V87-Q91 PolarHBondContact O-N 3.03Å; L88-Q91 PolarHBondContact O-N 3.28Å; Q91-F93 VanDerWaalsContact C-N 3.33Å; Q91-F93 PolarHBondContact O-N 3.3Å; Q91-L94 PolarHBondContact O-N 3.47Å; Q91-L95 WeakPolarHBondContact O-CB 3.47Å; Q91-L95 VanDerWaalsContact O-CG 3.3Å; Q91-L95 WeakPolarHBondContact O-CG 3.34Å; Q91-L95 PolarHBondContact O-N 3.4Å
92R92.8Very high91.6Very high137 Ų13791.6 Ų91.652%0.51745%0.454SS..Hα-helixtrans-58.4-47.6175.2-77.5169.6176.3164.1-1.1110.9L88 D89 L94 L95 F96L88-R92 WeakPolarHBondContact O-CB 3.22Å; L88-R92 VanDerWaalsContact O-CG 3.22Å; L88-R92 WeakPolarHBondContact O-CG 3.37Å; L88-R92 PolarHBondContact O-N 2.92Å; D89-R92 IonicContact OD1-NH1 2.7Å; D89-R92 PolarHBondContact OD1-NH1 3.46Å; R92-L94 PolarHBondContact O-N 3.31Å; R92-L95 PolarHBondContact O-N 2.84Å; R92-F96 HydrophobicContact CB-CD2 4.26Å; R92-F96 HydrophobicContact CB-CE2 4.23Å; R92-F96 WeakPolarHBondContact O-CB 3.47Å; R92-F96 WeakPolarHBondContact O-CD2 3.36Å; R92-F96 PolarHBondContact O-N 3.05Å
93F92.4Very high91.8Very high14 Ų1493 Ų936%0.06146%0.462CS..Hα-helixtrans-55.1-51.8176.7167-92.8000111.4F72 F75 I76 D89 V90 Q91 L95 F96 R97 L102 I105F72-F93 HydrophobicContact CB-CE2 3.58Å; F72-F93 HydrophobicContact CB-CZ 3.96Å; F72-F93 AromaticContact CD1-CD2 3.83Å; F72-F93 HydrophobicContact CD1-CD2 3.83Å; F72-F93 AromaticContact CD1-CE2 3.37Å; F72-F93 HydrophobicContact CD1-CE2 3.37Å; F72-F93 HydrophobicContact CE1-CD2 4.33Å; F72-F93 HydrophobicContact CE1-CE2 4.16Å; F72-F93 HydrophobicContact CG-CD2 4.48Å; F72-F93 AromaticContact CG-CE2 3.6Å; F72-F93 HydrophobicContact CG-CE2 3.6Å; F72-F93 HydrophobicContact CG-CZ 4.41Å; F75-F93 HydrophobicContact CD1-CB 4.3Å; F75-F93 HydrophobicContact CD1-CD2 4.03Å; F75-F93 HydrophobicContact CD1-CG 4.04Å; F75-F93 HydrophobicContact CE1-CB 3.7Å; F75-F93 HydrophobicContact CE1-CD2 4.24Å; F75-F93 AromaticContact CE1-CG 3.94Å; F75-F93 HydrophobicContact CE1-CG 3.94Å; I76-F93 HydrophobicContact CD1-CD1 4.11Å; I76-F93 HydrophobicContact CD1-CE1 3.26Å; I76-F93 HydrophobicContact CD1-CZ 3.68Å; I76-F93 HydrophobicContact CG1-CD1 3.87Å; I76-F93 HydrophobicContact CG1-CE1 3.49Å; I76-F93 VanDerWaalsContact CG1-CE1 3.49Å; I76-F93 HydrophobicContact CG1-CZ 3.98Å; D89-F93 WeakPolarHBondContact O-CB 3.3Å; D89-F93 PolarHBondContact O-N 2.96Å; V90-F93 WeakPolarHBondContact O-CB 3.47Å; V90-F93 PolarHBondContact O-N 3.3Å; Q91-F93 VanDerWaalsContact C-N 3.33Å; Q91-F93 PolarHBondContact O-N 3.3Å; F93-L95 VanDerWaalsContact C-N 3.33Å; F93-L95 PolarHBondContact O-N 3.47Å; F93-F96 PolarHBondContact O-N 3.46Å; F93-R97 HydrophobicContact CD2-CG 3.76Å; F93-R97 HydrophobicContact CE1-CG 4.42Å; F93-R97 HydrophobicContact CE2-CB 4.35Å; F93-R97 HydrophobicContact CE2-CG 3.31Å; F93-R97 HydrophobicContact CG-CG 4.48Å; F93-R97 HydrophobicContact CZ-CB 4.28Å; F93-R97 HydrophobicContact CZ-CG 3.69Å; F93-R97 WeakPolarHBondContact O-CG 3.39Å; F93-R97 PolarHBondContact O-N 3.13Å; F93-L102 HydrophobicContact CE1-CD1 3.96Å; F93-L102 HydrophobicContact CZ-CD1 4.33Å; F93-I105 HydrophobicContact CE2-CD1 4.32Å; F93-I105 HydrophobicContact CZ-CD1 3.99Å; F93-I105 HydrophobicContact CZ-CG2 4.2Å
94L93.7Very high92.2Very high77 Ų7786.9 Ų86.940%0.40344%0.437SS..Hα-helixtrans-60.2-43.1-179.5-68.9173.9000111.9V90 Q91 R92 S98 L102V90-L94 HydrophobicContact CG1-CD1 4.14Å; V90-L94 HydrophobicContact CG1-CG 4.47Å; V90-L94 WeakPolarHBondContact O-CG 3.41Å; V90-L94 PolarHBondContact O-N 2.95Å; Q91-L94 PolarHBondContact O-N 3.47Å; R92-L94 PolarHBondContact O-N 3.31Å; L94-S98 VanDerWaalsContact O-CB 3.29Å; L94-S98 WeakPolarHBondContact O-CB 3.29Å; L94-S98 PolarHBondContact O-N 3.4Å; L94-L102 HydrophobicContact CD2-CD1 3.89Å; L94-L102 HydrophobicContact CD2-CD2 4.17Å
95L94.9Very high92.7Very high131 Ų13179.8 Ų79.869%0.68640%0.401SS*.Hα-helixtrans-64.6-42.7177.9-72170000112.6Q91 R92 F93 S98Q91-L95 WeakPolarHBondContact O-CB 3.47Å; Q91-L95 VanDerWaalsContact O-CG 3.3Å; Q91-L95 WeakPolarHBondContact O-CG 3.34Å; Q91-L95 PolarHBondContact O-N 3.4Å; R92-L95 PolarHBondContact O-N 2.84Å; F93-L95 VanDerWaalsContact C-N 3.33Å; F93-L95 PolarHBondContact O-N 3.47Å; L95-S98 PolarHBondContact O-OG 3.22Å
96F95Very high93.1Very high150 Ų15078.7 Ų78.766%0.65840%0.395SS*.Hα-helixtrans-77.6-21.7-177.8-74.2-59000113.8R92 F93 I100R92-F96 HydrophobicContact CB-CD2 4.26Å; R92-F96 HydrophobicContact CB-CE2 4.23Å; R92-F96 WeakPolarHBondContact O-CB 3.47Å; R92-F96 WeakPolarHBondContact O-CD2 3.36Å; R92-F96 PolarHBondContact O-N 3.05Å; F93-F96 PolarHBondContact O-N 3.46Å; F96-I100 WeakPolarHBondContact O-CD1 3.48Å
97R94.8Very high93.5Very high24 Ų2481.4 Ų81.49%0.09140%0.404CS..Hα-helixtrans-100.3-15.9-180-57.5-44.4-64.4-175.74.8114.2F72 F93 E99 I100 D101 L102 I105F72-R97 VanDerWaalsContact CE2-CZ 3.47Å; F93-R97 HydrophobicContact CD2-CG 3.76Å; F93-R97 HydrophobicContact CE1-CG 4.42Å; F93-R97 HydrophobicContact CE2-CB 4.35Å; F93-R97 HydrophobicContact CE2-CG 3.31Å; F93-R97 HydrophobicContact CG-CG 4.48Å; F93-R97 HydrophobicContact CZ-CB 4.28Å; F93-R97 HydrophobicContact CZ-CG 3.69Å; F93-R97 WeakPolarHBondContact O-CG 3.39Å; F93-R97 PolarHBondContact O-N 3.13Å; R97-E99 PolarHBondContact O-N 3.45Å; R97-E99 VanDerWaalsContact O-N 3.16Å; R97-I100 PolarHBondContact O-N 2.7Å; R97-D101 IonicContact CZ-OD1 3.09Å; R97-D101 IonicContact CZ-OD2 3.65Å; R97-D101 IonicContact NE-OD1 2.66Å; R97-D101 PolarHBondContact NE-OD1 2.99Å; R97-D101 IonicContact NE-OD2 2.63Å; R97-D101 IonicContact NH2-OD1 2.59Å; R97-D101 PolarHBondContact NH2-OD1 3.41Å; R97-D101 IonicContact NH2-OD2 2.76Å; R97-D101 PolarHBondContact NH2-OD2 2.92Å; R97-D101 PolarHBondContact O-N 2.97Å; R97-L102 HydrophobicContact CB-CB 4.16Å; R97-L102 HydrophobicContact CB-CD1 4.42Å; R97-L102 WeakPolarHBondContact O-CB 3.46Å; R97-L102 PolarHBondContact O-N 3.45Å; R97-L102 VanDerWaalsContact O-N 3.09Å; R97-I105 HydrophobicContact CB-CD1 4.25Å; R97-I105 HydrophobicContact CG-CD1 4.07Å
98S95.3Very high93.7Very high64 Ų6478.7 Ų78.745%0.44839%0.39SS..THydrogen-bonded Turntrans-49.1-44-171.955.90000113.1L94 L95L94-S98 VanDerWaalsContact O-CB 3.29Å; L94-S98 WeakPolarHBondContact O-CB 3.29Å; L94-S98 PolarHBondContact O-N 3.4Å; L95-S98 PolarHBondContact O-OG 3.22Å
99E95.3Very high93.7Very high189 Ų18977.7 Ų77.788%0.88338%0.38SS*.THydrogen-bonded Turntrans-101.17.9-177.3-62.9-177.1-178.200113.8R97R97-E99 PolarHBondContact O-N 3.45Å; R97-E99 VanDerWaalsContact O-N 3.16Å
100I95.1Very high93.9Very high109 Ų10982.2 Ų82.256%0.55940%0.397SS*.THydrogen-bonded Turntrans-108.8-66-177.2-54.2-177.7000110.8F96 R97F96-I100 WeakPolarHBondContact O-CD1 3.48Å; R97-I100 PolarHBondContact O-N 2.7Å
101D94.6Very high93.8Very high23 Ų2387.5 Ų87.512%0.12344%0.443CS..THydrogen-bonded Turntrans-158.617-170.961.5-6.2000113.1K68 L69 R97 H103 T104 I105K68-D101 IonicContact NZ-OD2 3.73Å; L69-D101 HydrophobicContact CD2-CB 4.16Å; R97-D101 IonicContact CZ-OD1 3.09Å; R97-D101 IonicContact CZ-OD2 3.65Å; R97-D101 IonicContact NE-OD1 2.66Å; R97-D101 PolarHBondContact NE-OD1 2.99Å; R97-D101 IonicContact NE-OD2 2.63Å; R97-D101 IonicContact NH2-OD1 2.59Å; R97-D101 PolarHBondContact NH2-OD1 3.41Å; R97-D101 IonicContact NH2-OD2 2.76Å; R97-D101 PolarHBondContact NH2-OD2 2.92Å; R97-D101 PolarHBondContact O-N 2.97Å; D101-H103 PolarHBondContact O-N 3.25Å; D101-T104 WeakPolarHBondContact O-CA 3.35Å; D101-T104 WeakPolarHBondContact O-CB 3.41Å; D101-T104 PolarHBondContact O-N 3.09Å; D101-I105 WeakPolarHBondContact O-CG1 3.46Å; D101-I105 PolarHBondContact O-N 2.76Å; D101-I105 WeakPolarHBondContact OD1-CD1 3.08Å
102L95Very high93.8Very high46 Ų4686.8 Ų86.824%0.24144%0.441CS..Hα-helixtrans-53.7-40.9-179.5-177.861.1000112.4F93 L94 R97 T104 I105 D106F93-L102 HydrophobicContact CE1-CD1 3.96Å; F93-L102 HydrophobicContact CZ-CD1 4.33Å; L94-L102 HydrophobicContact CD2-CD1 3.89Å; L94-L102 HydrophobicContact CD2-CD2 4.17Å; R97-L102 HydrophobicContact CB-CB 4.16Å; R97-L102 HydrophobicContact CB-CD1 4.42Å; R97-L102 WeakPolarHBondContact O-CB 3.46Å; R97-L102 PolarHBondContact O-N 3.45Å; R97-L102 VanDerWaalsContact O-N 3.09Å; L102-T104 VanDerWaalsContact C-N 3.3Å; L102-T104 PolarHBondContact O-N 3.24Å; L102-I105 PolarHBondContact O-N 2.59Å; L102-D106 WeakPolarHBondContact O-CB 3.24Å; L102-D106 PolarHBondContact O-N 3.23Å
103H94.7Very high93.9Very high127 Ų12784.1 Ų84.159%0.58844%0.437SS*.Hα-helixtrans-60.5-38.8175.6-17761.5000113D101 K107D101-H103 PolarHBondContact O-N 3.25Å; H103-K107 WeakPolarHBondContact NE2-CE 3.41Å; H103-K107 WeakPolarHBondContact O-CG 3.35Å; H103-K107 PolarHBondContact O-N 3.27Å
104T95.7Very high93.9Very high65 Ų6588 Ų8840%0.39946%0.458SS..Hα-helixtrans-75.5-35.3179-470000111.1L69 D101 L102 K107 A108L69-T104 HydrophobicContact CD1-CG2 3.51Å; L69-T104 HydrophobicContact CD2-CG2 3.85Å; L69-T104 HydrophobicContact CG-CG2 4.31Å; D101-T104 WeakPolarHBondContact O-CA 3.35Å; D101-T104 WeakPolarHBondContact O-CB 3.41Å; D101-T104 PolarHBondContact O-N 3.09Å; L102-T104 VanDerWaalsContact C-N 3.3Å; L102-T104 PolarHBondContact O-N 3.24Å; T104-K107 PolarHBondContact O-N 2.94Å; T104-A108 PolarHBondContact O-N 3.26Å
105I94.9Very high94Very high0 Ų088.6 Ų88.60%046%0.461CS..Hα-helixtrans-63.1-45.3172.9-64.6165.3000110.2L69 F72 A73 I76 F93 R97 D101 L102 K107 A108 Y109L69-I105 HydrophobicContact CD2-CG1 3.71Å; F72-I105 HydrophobicContact CB-CD1 3.7Å; F72-I105 HydrophobicContact CB-CG1 4.11Å; F72-I105 HydrophobicContact CB-CG2 3.97Å; F72-I105 HydrophobicContact CD2-CD1 3.84Å; F72-I105 HydrophobicContact CG-CD1 4.04Å; A73-I105 HydrophobicContact CB-CG2 4.27Å; I76-I105 HydrophobicContact CD1-CG2 4.15Å; F93-I105 HydrophobicContact CE2-CD1 4.32Å; F93-I105 HydrophobicContact CZ-CD1 3.99Å; F93-I105 HydrophobicContact CZ-CG2 4.2Å; R97-I105 HydrophobicContact CB-CD1 4.25Å; R97-I105 HydrophobicContact CG-CD1 4.07Å; D101-I105 WeakPolarHBondContact O-CG1 3.46Å; D101-I105 PolarHBondContact O-N 2.76Å; D101-I105 WeakPolarHBondContact OD1-CD1 3.08Å; L102-I105 PolarHBondContact O-N 2.59Å; I105-K107 VanDerWaalsContact C-N 3.33Å; I105-K107 PolarHBondContact O-N 3.08Å; I105-A108 CarbonylContact O-C 3.31Å; I105-A108 WeakPolarHBondContact O-CB 3.44Å; I105-A108 PolarHBondContact O-N 3.47Å; I105-A108 VanDerWaalsContact O-N 3.08Å; I105-Y109 PolarHBondContact O-N 3.45Å
106D93.1Very high93.9Very high62 Ų6286 Ų8633%0.33245%0.447SS..Hα-helixtrans-58.9-42.5176.3174.667000112.1L102 A108 Y109 K110L102-D106 WeakPolarHBondContact O-CB 3.24Å; L102-D106 PolarHBondContact O-N 3.23Å; D106-A108 VanDerWaalsContact C-N 3.34Å; D106-A108 PolarHBondContact O-N 3.31Å; D106-Y109 PolarHBondContact O-N 3.22Å; D106-K110 WeakPolarHBondContact O-CG 3.46Å; D106-K110 PolarHBondContact O-N 3.39Å; D106-K110 VanDerWaalsContact O-N 3.14Å; D106-K110 WeakPolarHBondContact OD1-CE 3.48Å; D106-K110 IonicContact OD1-NZ 2.76Å; D106-K110 PolarHBondContact OD1-NZ 2.77Å; D106-K110 WeakPolarHBondContact OD2-CE 3.4Å; D106-K110 IonicContact OD2-NZ 3.98Å; D106-K110 PolarHBondContact OD2-NZ 3.13Å
107K94.4Very high93.8Very high126 Ų12681.7 Ų81.755%0.54843%0.433SS..Hα-helixtrans-61.3-41.5172.9-74.7-177.9176.8-176.10112.8H103 T104 I105 Y109 K110 A111H103-K107 WeakPolarHBondContact NE2-CE 3.41Å; H103-K107 WeakPolarHBondContact O-CG 3.35Å; H103-K107 PolarHBondContact O-N 3.27Å; T104-K107 PolarHBondContact O-N 2.94Å; I105-K107 VanDerWaalsContact C-N 3.33Å; I105-K107 PolarHBondContact O-N 3.08Å; K107-Y109 VanDerWaalsContact C-N 3.33Å; K107-K110 PolarHBondContact O-N 3.25Å; K107-A111 PolarHBondContact O-N 3.35Å
108A92.3Very high93.8Very high22 Ų2285.9 Ų85.918%0.18246%0.457CS..Hα-helixtrans-68.1-33.5177.700000112.4L69 T104 I105 D106 K110L69-A108 HydrophobicContact CB-CB 4.34Å; T104-A108 PolarHBondContact O-N 3.26Å; I105-A108 CarbonylContact O-C 3.31Å; I105-A108 WeakPolarHBondContact O-CB 3.44Å; I105-A108 PolarHBondContact O-N 3.47Å; I105-A108 VanDerWaalsContact O-N 3.08Å; D106-A108 VanDerWaalsContact C-N 3.34Å; D106-A108 PolarHBondContact O-N 3.31Å; A108-K110 VanDerWaalsContact C-N 3.34Å
109Y92.2Very high93.6Very high82 Ų8287.5 Ų87.532%0.32246%0.458SS..Hα-helixtrans-67.4-33.3175.9-177.3-91000112.7A73 I76 H77 I105 D106 K107A73-Y109 HydrophobicContact CB-CD2 4.19Å; A73-Y109 WeakPolarHBondContact O-CD2 3.28Å; I76-Y109 HydrophobicContact CG2-CE2 4.37Å; H77-Y109 HydrophobicContact CB-CE2 3.76Å; I105-Y109 PolarHBondContact O-N 3.45Å; D106-Y109 PolarHBondContact O-N 3.22Å; K107-Y109 VanDerWaalsContact C-N 3.33Å
110K91.9Very high93.5Very high151 Ų15179.1 Ų79.166%0.65742%0.423SS*.Hα-helixtrans-87.2-13.9-177.5-71.4170.6178.3163.20114.7D106 K107 A108D106-K110 WeakPolarHBondContact O-CG 3.46Å; D106-K110 PolarHBondContact O-N 3.39Å; D106-K110 VanDerWaalsContact O-N 3.14Å; D106-K110 WeakPolarHBondContact OD1-CE 3.48Å; D106-K110 IonicContact OD1-NZ 2.76Å; D106-K110 PolarHBondContact OD1-NZ 2.77Å; D106-K110 WeakPolarHBondContact OD2-CE 3.4Å; D106-K110 IonicContact OD2-NZ 3.98Å; D106-K110 PolarHBondContact OD2-NZ 3.13Å; K107-K110 PolarHBondContact O-N 3.25Å; A108-K110 VanDerWaalsContact C-N 3.34Å
111A88.1Confident93.4Very high136 Ų13676.4 Ų76.4100%1.12441%0.41SS*.  trans-84.20-176.600000111.5K107K107-A111 PolarHBondContact O-N 3.35Å

Retrieved 111 of 111 residues in 187 ms (Link to these results)

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