A0A077ZJ49_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJ49, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 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
1M33.7Very low48.5Very low208 Ų208109.5 Ų109.5100%1.02553%0.533SS*.  0120.30-160.8159.3173.900107.4
2N36.3Very low49.6Very low97 Ų97104.4 Ų104.452%0.51951%0.509SS..  trans-76.3123.8-172.1-162.85.3000109.7Y4 F5N2-Y4 PolarHBondContact O-N 3.28Å; N2-Y4 WeakPolarHBondContact OD1-CD2 3.44Å; N2-F5 HydrophobicContact CB-CD2 4.17Å; N2-F5 PolarHBondContact O-N 3.04Å
3K47.6Very low50.8Low177 Ų177104.1 Ų104.177%0.7750%0.499SS*.G310 helixtrans-60.2-21.3-168.6-70.1-176.1176.5-178.20114F5 Q6K3-F5 VanDerWaalsContact C-N 3.31Å; K3-F5 PolarHBondContact O-N 3.19Å; K3-Q6 PolarHBondContact O-N 3.35Å
4Y46.1Very low52.3Low157 Ų15799.8 Ų99.862%0.61648%0.478SS*.G310 helixtrans-70.9-19.9-179-59.9-78.8000114.5N2N2-Y4 PolarHBondContact O-N 3.28Å; N2-Y4 WeakPolarHBondContact OD1-CD2 3.44Å
5F42Very low53.7Low144 Ų144100.7 Ų100.763%0.63249%0.487SS*.G310 helixtrans-88.7-5.5179-72.9-76.3000114.1N2 K3 L16N2-F5 HydrophobicContact CB-CD2 4.17Å; N2-F5 PolarHBondContact O-N 3.04Å; K3-F5 VanDerWaalsContact C-N 3.31Å; K3-F5 PolarHBondContact O-N 3.19Å; F5-L16 HydrophobicContact CZ-CD2 4.4Å
6Q47.8Very low55.5Low136 Ų13699.6 Ų99.664%0.63648%0.483SS*.G310 helixtrans-91.5-2.1-179.4-110.8173.4-11.900113.6K3K3-Q6 PolarHBondContact O-N 3.35Å
7A46.5Very low57.3Low28 Ų2894.7 Ų94.723%0.23146%0.46CS..  trans-84.9114.5171.800000108.4D9 L12A7-D9 HydrophobicContact CB-CB 4.47Å; A7-D9 PolarHBondContact O-N 3.2Å; A7-L12 HydrophobicContact CB-CD2 3.54Å
8D56.8Low58.9Low145 Ų14592.7 Ų92.778%0.77546%0.457SS*.  trans-64.714.1171.6-71.7-38.7000113.2P10D8-P10 WeakPolarHBondContact O-CD 3.48Å
9D58Low60.6Low34 Ų3491.8 Ų91.818%0.18246%0.459CS..  trans-79.7107.2-178.8-173.8-10.2000109.9A7 N11 L12 R13 Q122A7-D9 HydrophobicContact CB-CB 4.47Å; A7-D9 PolarHBondContact O-N 3.2Å; D9-N11 PolarHBondContact O-N 3.26Å; D9-N11 WeakPolarHBondContact OD1-CA 3.43Å; D9-N11 VanDerWaalsContact OD1-CB 3.22Å; D9-N11 WeakPolarHBondContact OD1-CB 3.47Å; D9-N11 PolarHBondContact OD1-N 3.37Å; D9-L12 HydrophobicContact CB-CB 3.91Å; D9-L12 PolarHBondContact O-N 3.09Å; D9-L12 VanDerWaalsContact O-N 3.17Å; D9-R13 PolarHBondContact O-N 3.24Å; D9-Q122 WeakPolarHBondContact OD2-CG 3.37Å; D9-Q122 PolarHBondContact OD2-NE2 3.12Å
10P58.7Low62.2Low46 Ų4691.5 Ų91.530%0.29946%0.455SS..Hα-helixtrans-48-40.217211.1-24.3000113.3D8 L12 R13 Q14 M80D8-P10 WeakPolarHBondContact O-CD 3.48Å; P10-L12 PolarHBondContact O-N 3.36Å; P10-R13 PolarHBondContact O-N 3.42Å; P10-Q14 PolarHBondContact O-N 3.31Å; P10-M80 HydrophobicContact CB-CE 3.19Å; P10-M80 HydrophobicContact CB-SD 3.15Å; P10-M80 WeakPolarHBondContact CB-SD 3.48Å; P10-M80 HydrophobicContact CG-CE 4.5Å; P10-M80 HydrophobicContact CG-SD 4.27Å; P10-M80 VanDerWaalsContact O-CE 3.23Å; P10-M80 WeakPolarHBondContact O-CE 3.43Å
11N60.1Low63.6Low33 Ų3387.6 Ų87.618%0.17644%0.435CS..Hα-helixtrans-68.8-38.2-175.7-54.4-11.6000110.8D9 R13 Q14 N15 V82D9-N11 PolarHBondContact O-N 3.26Å; D9-N11 WeakPolarHBondContact OD1-CA 3.43Å; D9-N11 VanDerWaalsContact OD1-CB 3.22Å; D9-N11 WeakPolarHBondContact OD1-CB 3.47Å; D9-N11 PolarHBondContact OD1-N 3.37Å; N11-R13 VanDerWaalsContact C-N 3.31Å; N11-R13 PolarHBondContact O-N 2.86Å; N11-Q14 PolarHBondContact O-N 3.42Å; N11-N15 WeakPolarHBondContact O-CB 3.32Å; N11-N15 PolarHBondContact O-N 2.89Å; N11-N15 PolarHBondContact O-ND2 3.29Å; N11-N15 VanDerWaalsContact O-ND2 3.07Å; N11-V82 HydrophobicContact CB-CG2 4.47Å; N11-V82 VanDerWaalsContact CG-CG1 3.47Å; N11-V82 VanDerWaalsContact ND2-CG1 3.25Å; N11-V82 WeakPolarHBondContact ND2-CG1 3.43Å; N11-V82 WeakPolarHBondContact OD1-CG1 3.41Å; N11-V82 WeakPolarHBondContact OD1-CG2 3.46Å
12L61.2Low66.4Low48 Ų4881.1 Ų81.125%0.25141%0.411SS..Hα-helixtrans-65.7-37.8176.7-167.370.3000111.1A7 D9 P10 L16A7-L12 HydrophobicContact CB-CD2 3.54Å; D9-L12 HydrophobicContact CB-CB 3.91Å; D9-L12 PolarHBondContact O-N 3.09Å; D9-L12 VanDerWaalsContact O-N 3.17Å; P10-L12 PolarHBondContact O-N 3.36Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 PolarHBondContact O-N 3.44Å
13R65.2Low69.2Low100 Ų10081.9 Ų81.938%0.37741%0.409SS..Hα-helixtrans-67.1-45.9176.5-67-176-74.4160.8-5.1111.1D9 P10 N11 L16 L17 I77D9-R13 PolarHBondContact O-N 3.24Å; P10-R13 PolarHBondContact O-N 3.42Å; N11-R13 VanDerWaalsContact C-N 3.31Å; N11-R13 PolarHBondContact O-N 2.86Å; R13-L16 PolarHBondContact O-N 2.83Å; R13-L17 VanDerWaalsContact O-CB 3.25Å; R13-L17 WeakPolarHBondContact O-CB 3.39Å; R13-L17 WeakPolarHBondContact O-CD1 3.45Å; R13-L17 WeakPolarHBondContact O-CG 3.33Å; R13-L17 PolarHBondContact O-N 3.07Å; R13-I77 HydrophobicContact CB-CD1 4.3Å; R13-I77 HydrophobicContact CB-CG2 3.83Å
14Q72Confident71.5Confident44 Ų4473.8 Ų73.821%0.20638%0.375CS..Hα-helixtrans-61.9-44.6176-167.6-179.433.400111.8P10 N11 L16 L17 S18 I77 L78 M80P10-Q14 PolarHBondContact O-N 3.31Å; N11-Q14 PolarHBondContact O-N 3.42Å; Q14-L16 VanDerWaalsContact C-N 3.29Å; Q14-L16 PolarHBondContact O-N 2.61Å; Q14-L17 PolarHBondContact O-N 3.14Å; Q14-S18 WeakPolarHBondContact O-CB 3.42Å; Q14-S18 PolarHBondContact O-N 3.05Å; Q14-I77 HydrophobicContact CB-CG2 4.13Å; Q14-L78 PolarHBondContact NE2-O 2.88Å; Q14-M80 HydrophobicContact CB-CE 4.2Å; Q14-M80 PolarHBondContact NE2-O 3.06Å
15N73.9Confident73.8Confident113 Ų11368.7 Ų68.760%0.60436%0.358SS*.Hα-helixtrans-67.9-22.5179.8-74.4-29000114N11 P19N11-N15 WeakPolarHBondContact O-CB 3.32Å; N11-N15 PolarHBondContact O-N 2.89Å; N11-N15 PolarHBondContact O-ND2 3.29Å; N11-N15 VanDerWaalsContact O-ND2 3.07Å; N15-P19 WeakPolarHBondContact O-CD 3.14Å; N15-P19 WeakPolarHBondContact O-CG 3.23Å
16L81.5Confident76.4Confident83 Ų8366.8 Ų66.844%0.43535%0.349SS..Hα-helixtrans-89.4-42.4173.6-175.463.8000111.8F5 L12 R13 Q14 F20F5-L16 HydrophobicContact CZ-CD2 4.4Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 PolarHBondContact O-N 3.44Å; R13-L16 PolarHBondContact O-N 2.83Å; Q14-L16 VanDerWaalsContact C-N 3.29Å; Q14-L16 PolarHBondContact O-N 2.61Å; L16-F20 WeakPolarHBondContact O-CB 3.45Å; L16-F20 PolarHBondContact O-N 3.23Å
17L86.3Confident78.6Confident17 Ų1761.9 Ų61.99%0.08933%0.326CS..Hα-helixtrans-69-44.2-176.1-72.1169.5000111.7R13 Q14 F20 M21 F74 I77 L78R13-L17 VanDerWaalsContact O-CB 3.25Å; R13-L17 WeakPolarHBondContact O-CB 3.39Å; R13-L17 WeakPolarHBondContact O-CD1 3.45Å; R13-L17 WeakPolarHBondContact O-CG 3.33Å; R13-L17 PolarHBondContact O-N 3.07Å; Q14-L17 PolarHBondContact O-N 3.14Å; L17-F20 PolarHBondContact O-N 2.96Å; L17-M21 WeakPolarHBondContact O-CB 3.11Å; L17-M21 WeakPolarHBondContact O-CG 3.33Å; L17-M21 PolarHBondContact O-N 2.87Å; L17-F74 HydrophobicContact CD1-CB 3.97Å; L17-F74 HydrophobicContact CD1-CD1 3.95Å; L17-F74 HydrophobicContact CD1-CG 3.9Å; L17-F74 HydrophobicContact CD2-CD2 4.07Å; L17-F74 HydrophobicContact CD2-CE2 4.21Å; L17-F74 HydrophobicContact CD2-CG 4.25Å; L17-F74 HydrophobicContact CD2-CZ 4.49Å; L17-I77 HydrophobicContact CD1-CB 4.19Å; L17-I77 HydrophobicContact CD1-CD1 4.06Å; L17-I77 HydrophobicContact CD1-CG2 3.76Å; L17-L78 HydrophobicContact CB-CD2 4.34Å
18S87Confident80.9Confident59 Ų5963.4 Ų63.441%0.41333%0.327SS..Hα-helixtrans-60-51-178174.60000112.6Q14 F20 M21 S22Q14-S18 WeakPolarHBondContact O-CB 3.42Å; Q14-S18 PolarHBondContact O-N 3.05Å; S18-F20 VanDerWaalsContact C-N 3.34Å; S18-F20 PolarHBondContact O-N 2.94Å; S18-M21 WeakPolarHBondContact O-CB 3.43Å; S18-M21 PolarHBondContact O-N 3.49Å; S18-S22 PolarHBondContact O-N 3.21Å; S18-S22 PolarHBondContact O-OG 3.14Å
19P90.7Very high82.8Confident76 Ų7664.2 Ų64.249%0.49432%0.32SS..Hα-helixtrans-62-38175-25.736.4000113.7N15 M21 S22 K23N15-P19 WeakPolarHBondContact O-CD 3.14Å; N15-P19 WeakPolarHBondContact O-CG 3.23Å; P19-M21 VanDerWaalsContact C-N 3.33Å; P19-M21 PolarHBondContact O-N 3.43Å; P19-S22 PolarHBondContact O-N 3.18Å; P19-K23 WeakPolarHBondContact O-CB 3.11Å; P19-K23 PolarHBondContact O-N 3.3Å
20F91.9Very high84.4Confident84 Ų8463.2 Ų63.237%0.36831%0.314SS..Hα-helixtrans-60.2-45.2175.2175.3-98.3000111.1L16 L17 S18 K23 L24 F70L16-F20 WeakPolarHBondContact O-CB 3.45Å; L16-F20 PolarHBondContact O-N 3.23Å; L17-F20 PolarHBondContact O-N 2.96Å; S18-F20 VanDerWaalsContact C-N 3.34Å; S18-F20 PolarHBondContact O-N 2.94Å; F20-K23 WeakPolarHBondContact O-CA 3.01Å; F20-K23 VanDerWaalsContact O-CB 3.25Å; F20-K23 WeakPolarHBondContact O-CB 3.38Å; F20-K23 PolarHBondContact O-N 3.27Å; F20-K23 VanDerWaalsContact O-N 3.11Å; F20-L24 HydrophobicContact CE1-CD1 3.93Å; F20-L24 HydrophobicContact CE1-CD2 4.4Å; F20-L24 HydrophobicContact CE1-CG 4.22Å; F20-L24 HydrophobicContact CZ-CD1 4.45Å; F20-L24 HydrophobicContact CZ-CD2 4.12Å; F20-L24 HydrophobicContact CZ-CG 4.42Å; F20-L24 PolarHBondContact O-N 3.44Å; F20-L24 VanDerWaalsContact O-N 3.12Å; F20-F70 HydrophobicContact CD1-CD1 4.11Å; F20-F70 HydrophobicContact CD1-CE1 4.05Å; F20-F70 AromaticContact CE1-CD1 3.77Å; F20-F70 HydrophobicContact CE1-CD1 3.77Å; F20-F70 AromaticContact CE1-CE1 3.47Å; F20-F70 HydrophobicContact CE1-CE1 3.47Å; F20-F70 VanDerWaalsContact CE1-CE1 3.47Å; F20-F70 HydrophobicContact CE1-CE2 4.5Å; F20-F70 HydrophobicContact CE1-CG 4.41Å; F20-F70 AromaticContact CE1-CZ 3.87Å; F20-F70 HydrophobicContact CE1-CZ 3.87Å; F20-F70 HydrophobicContact CZ-CE1 4.31Å; F20-F70 HydrophobicContact CZ-CZ 4.37Å
21M92.3Very high85.9Confident10 Ų1061.3 Ų61.35%0.04930%0.301CS..Hα-helixtrans-62.8-45.3177.1-72.7-59.3-75.300112.6L17 S18 P19 K23 L24 L25 H67 F70 T71L17-M21 WeakPolarHBondContact O-CB 3.11Å; L17-M21 WeakPolarHBondContact O-CG 3.33Å; L17-M21 PolarHBondContact O-N 2.87Å; S18-M21 WeakPolarHBondContact O-CB 3.43Å; S18-M21 PolarHBondContact O-N 3.49Å; P19-M21 VanDerWaalsContact C-N 3.33Å; P19-M21 PolarHBondContact O-N 3.43Å; M21-K23 PolarHBondContact O-N 3.05Å; M21-L24 WeakPolarHBondContact O-CB 3.49Å; M21-L24 PolarHBondContact O-N 2.83Å; M21-L24 VanDerWaalsContact O-N 3.16Å; M21-L24 HydrophobicContact SD-CD1 3.99Å; M21-L25 PolarHBondContact O-N 3.18Å; M21-H67 HydrophobicContact CE-CB 4.3Å; M21-H67 VanDerWaalsContact CE-CD2 3.41Å; M21-H67 WeakPolarHBondContact CE-CD2 3.44Å; M21-H67 WeakPolarHBondContact CE-O 3.5Å; M21-F70 HydrophobicContact CE-CB 3.71Å; M21-F70 HydrophobicContact SD-CB 3.21Å; M21-F70 WeakPolarHBondContact SD-CB 3.5Å; M21-F70 HydrophobicContact SD-CD1 4.15Å; M21-F70 HydrophobicContact SD-CG 3.95Å; M21-T71 WeakPolarHBondContact CE-OG1 3.42Å
22S93.8Very high87.5Confident73 Ų7362.8 Ų62.851%0.5132%0.318SS..Hα-helixtrans-58.5-36.7172.3-600000111.8S18 P19 L24 L25 F26S18-S22 PolarHBondContact O-N 3.21Å; S18-S22 PolarHBondContact O-OG 3.14Å; P19-S22 PolarHBondContact O-N 3.18Å; S22-L24 PolarHBondContact O-N 2.89Å; S22-L25 PolarHBondContact O-N 3.03Å; S22-F26 WeakPolarHBondContact O-CB 3.43Å; S22-F26 PolarHBondContact O-N 2.98Å
23K94.2Very high88.9Confident112 Ų11268.9 Ų68.949%0.48734%0.338SS..Hα-helixtrans-64.7-36177.6-155.1177.5-166.1-177.90112.5P19 F20 M21 F26 F27P19-K23 WeakPolarHBondContact O-CB 3.11Å; P19-K23 PolarHBondContact O-N 3.3Å; F20-K23 WeakPolarHBondContact O-CA 3.01Å; F20-K23 VanDerWaalsContact O-CB 3.25Å; F20-K23 WeakPolarHBondContact O-CB 3.38Å; F20-K23 PolarHBondContact O-N 3.27Å; F20-K23 VanDerWaalsContact O-N 3.11Å; M21-K23 PolarHBondContact O-N 3.05Å; K23-F26 WeakPolarHBondContact O-CB 3.46Å; K23-F26 PolarHBondContact O-N 3.3Å; K23-F27 HydrophobicContact CD-CE1 4.25Å; K23-F27 HydrophobicContact CD-CE2 4.04Å; K23-F27 HydrophobicContact CD-CZ 3.68Å; K23-F27 HydrophobicContact CG-CD1 4.27Å; K23-F27 HydrophobicContact CG-CD2 4.31Å; K23-F27 HydrophobicContact CG-CE1 3.83Å; K23-F27 HydrophobicContact CG-CE2 3.84Å; K23-F27 HydrophobicContact CG-CZ 3.62Å; K23-F27 WeakPolarHBondContact O-CB 3.48Å; K23-F27 WeakPolarHBondContact O-CD2 3.47Å; K23-F27 WeakPolarHBondContact O-CG 3.39Å; K23-F27 PolarHBondContact O-N 2.97Å
24L95.1Very high90Very high8 Ų866.7 Ų66.74%0.04235%0.346CS..Hα-helixtrans-62-43.8174.8-63.4-179.1000112.1F20 M21 S22 F27 K28 L63 L66 H67F20-L24 HydrophobicContact CE1-CD1 3.93Å; F20-L24 HydrophobicContact CE1-CD2 4.4Å; F20-L24 HydrophobicContact CE1-CG 4.22Å; F20-L24 HydrophobicContact CZ-CD1 4.45Å; F20-L24 HydrophobicContact CZ-CD2 4.12Å; F20-L24 HydrophobicContact CZ-CG 4.42Å; F20-L24 PolarHBondContact O-N 3.44Å; F20-L24 VanDerWaalsContact O-N 3.12Å; M21-L24 WeakPolarHBondContact O-CB 3.49Å; M21-L24 PolarHBondContact O-N 2.83Å; M21-L24 VanDerWaalsContact O-N 3.16Å; M21-L24 HydrophobicContact SD-CD1 3.99Å; S22-L24 PolarHBondContact O-N 2.89Å; L24-F27 PolarHBondContact O-N 3.39Å; L24-K28 PolarHBondContact O-N 3.49Å; L24-L63 HydrophobicContact CD2-CD2 4.28Å; L24-L66 HydrophobicContact CD1-CB 4.43Å; L24-L66 HydrophobicContact CD1-CD2 4.08Å; L24-L66 HydrophobicContact CD1-CG 3.96Å; L24-L66 HydrophobicContact CD2-CD2 3.8Å; L24-H67 HydrophobicContact CB-CB 4.46Å; L24-H67 HydrophobicContact CD1-CB 4.3Å
25L95.8Very high90.8Very high50 Ų5068.8 Ų68.826%0.26236%0.356SS..Hα-helixtrans-68.9-38.6176.7-63.2180000112.1M21 S22 K28 R29 H67M21-L25 PolarHBondContact O-N 3.18Å; S22-L25 PolarHBondContact O-N 3.03Å; L25-K28 PolarHBondContact O-N 3.44Å; L25-R29 WeakPolarHBondContact O-CG 3.48Å; L25-R29 PolarHBondContact O-N 3Å; L25-H67 HydrophobicContact CD2-CB 4.33Å; L25-H67 VanDerWaalsContact CG-CD2 3.44Å; L25-H67 WeakPolarHBondContact CG-CD2 3.06Å
26F95.5Very high91.3Very high103 Ų10364.4 Ų64.445%0.45233%0.333SS..Hα-helixtrans-59.1-48.4173174.6-100.6000111S22 K23 K28 R29 N30S22-F26 WeakPolarHBondContact O-CB 3.43Å; S22-F26 PolarHBondContact O-N 2.98Å; K23-F26 WeakPolarHBondContact O-CB 3.46Å; K23-F26 PolarHBondContact O-N 3.3Å; F26-K28 VanDerWaalsContact C-N 3.32Å; F26-K28 PolarHBondContact O-N 3.07Å; F26-R29 PolarHBondContact O-N 3.48Å; F26-N30 WeakPolarHBondContact CE1-ND2 3.43Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.4Å; F26-N30 PolarHBondContact O-N 3.07Å; F26-N30 PolarHBondContact O-OD1 3.25Å
27F94.1Very high91.5Very high34 Ų3465.6 Ų65.615%0.14935%0.348CS..Hα-helixtrans-58.3-43.2176.3-72.2-16.8000112.9K23 L24 R29 N30 F31 Q38 F39 L63K23-F27 HydrophobicContact CD-CE1 4.25Å; K23-F27 HydrophobicContact CD-CE2 4.04Å; K23-F27 HydrophobicContact CD-CZ 3.68Å; K23-F27 HydrophobicContact CG-CD1 4.27Å; K23-F27 HydrophobicContact CG-CD2 4.31Å; K23-F27 HydrophobicContact CG-CE1 3.83Å; K23-F27 HydrophobicContact CG-CE2 3.84Å; K23-F27 HydrophobicContact CG-CZ 3.62Å; K23-F27 WeakPolarHBondContact O-CB 3.48Å; K23-F27 WeakPolarHBondContact O-CD2 3.47Å; K23-F27 WeakPolarHBondContact O-CG 3.39Å; K23-F27 PolarHBondContact O-N 2.97Å; L24-F27 PolarHBondContact O-N 3.39Å; F27-R29 PolarHBondContact O-N 3.06Å; F27-N30 PolarHBondContact O-N 2.88Å; F27-F31 WeakPolarHBondContact O-CB 3.25Å; F27-F31 PolarHBondContact O-N 3.42Å; F27-Q38 VanDerWaalsContact CD1-CD 3.48Å; F27-Q38 HydrophobicContact CD1-CG 4.09Å; F27-Q38 HydrophobicContact CE1-CB 4.17Å; F27-Q38 HydrophobicContact CE1-CG 4Å; F27-F39 HydrophobicContact CB-CZ 3.9Å; F27-F39 HydrophobicContact CD1-CZ 4.08Å; F27-F39 HydrophobicContact CD2-CE1 4.3Å; F27-F39 HydrophobicContact CD2-CZ 4.03Å; F27-F39 HydrophobicContact CE2-CE1 4.38Å; F27-F39 HydrophobicContact CG-CE1 4.42Å; F27-F39 AromaticContact CG-CZ 3.76Å; F27-F39 HydrophobicContact CG-CZ 3.76Å; F27-L63 HydrophobicContact CB-CD1 3.74Å
28K95Very high91.4Very high59 Ų5967.5 Ų67.526%0.25736%0.356SS..Hα-helixtrans-59.8-47.4176.8177.8-178.3168.2174.30111.5L24 L25 F26 F31 A32 C60 L63 Q64L24-K28 PolarHBondContact O-N 3.49Å; L25-K28 PolarHBondContact O-N 3.44Å; F26-K28 VanDerWaalsContact C-N 3.32Å; F26-K28 PolarHBondContact O-N 3.07Å; K28-F31 PolarHBondContact O-N 3.44Å; K28-A32 WeakPolarHBondContact O-CB 3.36Å; K28-A32 PolarHBondContact O-N 3.12Å; K28-C60 HydrophobicContact CG-CB 4.12Å; K28-L63 HydrophobicContact CB-CB 4.08Å; K28-L63 HydrophobicContact CB-CD1 3.92Å; K28-L63 VanDerWaalsContact N-CD1 3.33Å; K28-Q64 HydrophobicContact CD-CB 4.22Å
29R95.8Very high91.4Very high163 Ų16366.3 Ų66.362%0.61534%0.344SS*.Hα-helixtrans-62.4-43.8179.7-71.4173.5-174.8156.41.7111.9L25 F26 F27 A32 R33L25-R29 WeakPolarHBondContact O-CG 3.48Å; L25-R29 PolarHBondContact O-N 3Å; F26-R29 PolarHBondContact O-N 3.48Å; F27-R29 PolarHBondContact O-N 3.06Å; R29-A32 PolarHBondContact O-N 3.21Å; R29-R33 WeakPolarHBondContact O-CG 3.36Å; R29-R33 PolarHBondContact O-N 3.16Å
30N92.6Very high91.1Very high12 Ų1270.5 Ų70.56%0.06436%0.357CS..Hα-helixtrans-67.4-42.3179.7-72.310.4000111.2F26 F27 A32 R33 G34 E35 Q38F26-N30 WeakPolarHBondContact CE1-ND2 3.43Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.4Å; F26-N30 PolarHBondContact O-N 3.07Å; F26-N30 PolarHBondContact O-OD1 3.25Å; F27-N30 PolarHBondContact O-N 2.88Å; N30-A32 VanDerWaalsContact C-N 3.34Å; N30-A32 PolarHBondContact O-N 3.38Å; N30-R33 CarbonylContact O-C 3.49Å; N30-R33 PolarHBondContact O-N 3.04Å; N30-G34 PolarHBondContact O-N 2.95Å; N30-E35 HydrophobicContact CB-CB 3.98Å; N30-E35 PolarHBondContact O-N 3.36Å; N30-Q38 PolarHBondContact ND2-OE1 3.49Å
31F91.1Very high90.7Very high6 Ų668.8 Ų68.83%0.02636%0.363CS..Hα-helixtrans-60-44.8176.7-155.3-102.7000111.9F27 K28 R33 G34 L36 F39 L42 I51 V56 Y59F27-F31 WeakPolarHBondContact O-CB 3.25Å; F27-F31 PolarHBondContact O-N 3.42Å; K28-F31 PolarHBondContact O-N 3.44Å; F31-R33 PolarHBondContact O-N 3.47Å; F31-R33 VanDerWaalsContact O-N 3.14Å; F31-G34 PolarHBondContact O-N 2.82Å; F31-L36 HydrophobicContact CD2-CD2 3.22Å; F31-L36 HydrophobicContact CE2-CD2 3.27Å; F31-L36 HydrophobicContact CG-CD2 4.18Å; F31-L36 HydrophobicContact CZ-CD2 4.31Å; F31-F39 HydrophobicContact CD2-CD2 4.22Å; F31-F39 HydrophobicContact CD2-CE2 4.04Å; F31-L42 HydrophobicContact CD2-CD1 4.45Å; F31-L42 HydrophobicContact CE2-CD1 3.53Å; F31-L42 HydrophobicContact CZ-CD1 4.17Å; F31-I51 HydrophobicContact CE2-CD1 4.2Å; F31-I51 HydrophobicContact CZ-CD1 3.93Å; F31-I51 HydrophobicContact CZ-CG2 4.5Å; F31-V56 HydrophobicContact CD1-CB 4.49Å; F31-V56 HydrophobicContact CD1-CG1 4.12Å; F31-V56 HydrophobicContact CE1-CB 4.36Å; F31-V56 HydrophobicContact CE1-CG1 4.48Å; F31-V56 HydrophobicContact CE1-CG2 4.27Å; F31-Y59 HydrophobicContact CB-CD1 3.97Å; F31-Y59 HydrophobicContact CB-CE1 4.21Å; F31-Y59 AromaticContact CD1-CD1 3.31Å; F31-Y59 HydrophobicContact CD1-CD1 3.31Å; F31-Y59 HydrophobicContact CD1-CE1 4.21Å; F31-Y59 AromaticContact CD1-CG 3.81Å; F31-Y59 HydrophobicContact CD1-CG 3.81Å; F31-Y59 AromaticContact CD2-CD1 3.58Å; F31-Y59 HydrophobicContact CD2-CD1 3.58Å; F31-Y59 AromaticContact CD2-CE1 3.64Å; F31-Y59 HydrophobicContact CD2-CE1 3.64Å; F31-Y59 HydrophobicContact CD2-CG 4.36Å; F31-Y59 AromaticContact CE1-CD1 3.52Å; F31-Y59 HydrophobicContact CE1-CD1 3.52Å; F31-Y59 HydrophobicContact CE1-CD2 4.49Å; F31-Y59 HydrophobicContact CE1-CE1 4.47Å; F31-Y59 AromaticContact CE1-CG 3.52Å; F31-Y59 HydrophobicContact CE1-CG 3.52Å; F31-Y59 AromaticContact CE2-CD1 3.84Å; F31-Y59 HydrophobicContact CE2-CD1 3.84Å; F31-Y59 HydrophobicContact CE2-CE1 4.02Å; F31-Y59 HydrophobicContact CE2-CG 4.19Å; F31-Y59 AromaticContact CG-CD1 3.32Å; F31-Y59 HydrophobicContact CG-CD1 3.32Å; F31-Y59 AromaticContact CG-CE1 3.76Å; F31-Y59 HydrophobicContact CG-CE1 3.76Å; F31-Y59 HydrophobicContact CG-CG 4.2Å; F31-Y59 AromaticContact CZ-CD1 3.81Å; F31-Y59 HydrophobicContact CZ-CD1 3.81Å; F31-Y59 HydrophobicContact CZ-CD2 4.36Å; F31-Y59 HydrophobicContact CZ-CE1 4.41Å; F31-Y59 AromaticContact CZ-CG 3.76Å; F31-Y59 HydrophobicContact CZ-CG 3.76Å
32A92.2Very high90.3Very high64 Ų6470.8 Ų70.853%0.52937%0.373SS..Hα-helixtrans-62.1-19.5175.800000113.9K28 R29 N30K28-A32 WeakPolarHBondContact O-CB 3.36Å; K28-A32 PolarHBondContact O-N 3.12Å; R29-A32 PolarHBondContact O-N 3.21Å; N30-A32 VanDerWaalsContact C-N 3.34Å; N30-A32 PolarHBondContact O-N 3.38Å
33R91.2Very high89.7Confident176 Ų17668.6 Ų68.666%0.66436%0.36SS*.THydrogen-bonded Turntrans-96-2.5175.6-68174.4179.1-178.6-2.1113.5R29 N30 F31 E35R29-R33 WeakPolarHBondContact O-CG 3.36Å; R29-R33 PolarHBondContact O-N 3.16Å; N30-R33 CarbonylContact O-C 3.49Å; N30-R33 PolarHBondContact O-N 3.04Å; F31-R33 PolarHBondContact O-N 3.47Å; F31-R33 VanDerWaalsContact O-N 3.14Å; R33-E35 VanDerWaalsContact C-N 3.26Å; R33-E35 HydrophobicContact CB-CG 4.08Å; R33-E35 VanDerWaalsContact CD-OE1 3.32Å; R33-E35 WeakPolarHBondContact CD-OE1 3.43Å; R33-E35 IonicContact NH1-OE1 2.82Å; R33-E35 PolarHBondContact O-N 3Å
34G87.6Confident89.2Confident54 Ų5469 Ų6956%0.55736%0.363SS*.THydrogen-bonded Turntrans73.114.7-170.800000114.1N30 F31 L36N30-G34 PolarHBondContact O-N 2.95Å; F31-G34 PolarHBondContact O-N 2.82Å; G34-L36 PolarHBondContact O-N 3.42Å
35E89Confident88.5Confident88 Ų8872.2 Ų72.241%0.41138%0.383SS..  trans-84.188.7177.5-67.3176.6-142.700110.2N30 R33N30-E35 HydrophobicContact CB-CB 3.98Å; N30-E35 PolarHBondContact O-N 3.36Å; R33-E35 VanDerWaalsContact C-N 3.26Å; R33-E35 HydrophobicContact CB-CG 4.08Å; R33-E35 VanDerWaalsContact CD-OE1 3.32Å; R33-E35 WeakPolarHBondContact CD-OE1 3.43Å; R33-E35 IonicContact NH1-OE1 2.82Å; R33-E35 PolarHBondContact O-N 3Å
36L85.6Confident87.5Confident22 Ų2271 Ų7112%0.11538%0.383CS..  trans-102.15.5-169.7-56179.4000115.1F31 G34 Q38 F39 L42 A43 I51F31-L36 HydrophobicContact CD2-CD2 3.22Å; F31-L36 HydrophobicContact CE2-CD2 3.27Å; F31-L36 HydrophobicContact CG-CD2 4.18Å; F31-L36 HydrophobicContact CZ-CD2 4.31Å; G34-L36 PolarHBondContact O-N 3.42Å; L36-Q38 PolarHBondContact O-N 2.94Å; L36-F39 HydrophobicContact CD2-CD2 4.48Å; L36-F39 CarbonylContact O-C 3.4Å; L36-F39 WeakPolarHBondContact O-CA 3.44Å; L36-F39 PolarHBondContact O-N 3.08Å; L36-L42 HydrophobicContact CD1-CB 4.29Å; L36-A43 HydrophobicContact CB-CB 4.38Å; L36-I51 HydrophobicContact CD1-CD1 3.4Å; L36-I51 HydrophobicContact CD1-CG1 4.19Å; L36-I51 HydrophobicContact CD2-CD1 4.45Å
37S84.3Confident86.5Confident107 Ų10773 Ų7375%0.74840%0.399SS*.THydrogen-bonded Turntrans-57.1-27.6-17458.20000114.1F39S37-F39 VanDerWaalsContact C-N 3.26Å; S37-F39 PolarHBondContact O-N 3.49Å
38Q85.6Confident85.6Confident58 Ų5879.5 Ų79.527%0.27143%0.429SS..THydrogen-bonded Turntrans-73.7-13.1175.267.8-147.320.800114.3F27 N30 L36F27-Q38 VanDerWaalsContact CD1-CD 3.48Å; F27-Q38 HydrophobicContact CD1-CG 4.09Å; F27-Q38 HydrophobicContact CE1-CB 4.17Å; F27-Q38 HydrophobicContact CE1-CG 4Å; N30-Q38 PolarHBondContact ND2-OE1 3.49Å; L36-Q38 PolarHBondContact O-N 2.94Å
39F86.1Confident84.7Confident34 Ų3480.2 Ų80.215%0.14945%0.453CS..  trans-121.183-178.2-57.3-62.6000109.4F27 F31 L36 S37 G41 L42 A43 Y59F27-F39 HydrophobicContact CB-CZ 3.9Å; F27-F39 HydrophobicContact CD1-CZ 4.08Å; F27-F39 HydrophobicContact CD2-CE1 4.3Å; F27-F39 HydrophobicContact CD2-CZ 4.03Å; F27-F39 HydrophobicContact CE2-CE1 4.38Å; F27-F39 HydrophobicContact CG-CE1 4.42Å; F27-F39 AromaticContact CG-CZ 3.76Å; F27-F39 HydrophobicContact CG-CZ 3.76Å; F31-F39 HydrophobicContact CD2-CD2 4.22Å; F31-F39 HydrophobicContact CD2-CE2 4.04Å; L36-F39 HydrophobicContact CD2-CD2 4.48Å; L36-F39 CarbonylContact O-C 3.4Å; L36-F39 WeakPolarHBondContact O-CA 3.44Å; L36-F39 PolarHBondContact O-N 3.08Å; S37-F39 VanDerWaalsContact C-N 3.26Å; S37-F39 PolarHBondContact O-N 3.49Å; F39-G41 PolarHBondContact O-N 2.94Å; F39-L42 HydrophobicContact CB-CB 3.82Å; F39-L42 HydrophobicContact CB-CD1 3.81Å; F39-L42 HydrophobicContact CB-CG 4.02Å; F39-L42 HydrophobicContact CD2-CD1 4.11Å; F39-L42 HydrophobicContact CG-CD1 3.94Å; F39-L42 PolarHBondContact O-N 3.31Å; F39-A43 PolarHBondContact O-N 2.87Å; F39-Y59 VanDerWaalsContact CE1-OH 3.23Å; F39-Y59 WeakPolarHBondContact CE1-OH 3.37Å; F39-Y59 HydrophobicContact CE2-CE1 4.13Å; F39-Y59 HydrophobicContact CZ-CE1 4.08Å; F39-Y59 WeakPolarHBondContact CZ-OH 2.98Å
40Q83.4Confident84Confident163 Ų16374.5 Ų74.576%0.76245%0.445SS*.Hα-helixtrans-50.7-39.7-174-70.1-178.2-2700113.7Q44Q40-Q44 WeakPolarHBondContact O-CG 3.43Å; Q40-Q44 PolarHBondContact O-N 2.91Å
41G84.2Confident83.6Confident48 Ų4876 Ų7650%0.49545%0.452SS..Hα-helixtrans-66-40.617600000113.6F39 Q44 V45F39-G41 PolarHBondContact O-N 2.94Å; G41-Q44 PolarHBondContact O-N 3.31Å; G41-V45 WeakPolarHBondContact O-CG2 3.41Å; G41-V45 PolarHBondContact O-N 3.36Å
42L83.7Confident83.6Confident52 Ų5278.4 Ų78.427%0.27247%0.47SS..Hα-helixtrans-76.8-31179.9-60.9173000111.8F31 L36 F39 Q44 V45 G46 I51 Y59F31-L42 HydrophobicContact CD2-CD1 4.45Å; F31-L42 HydrophobicContact CE2-CD1 3.53Å; F31-L42 HydrophobicContact CZ-CD1 4.17Å; L36-L42 HydrophobicContact CD1-CB 4.29Å; F39-L42 HydrophobicContact CB-CB 3.82Å; F39-L42 HydrophobicContact CB-CD1 3.81Å; F39-L42 HydrophobicContact CB-CG 4.02Å; F39-L42 HydrophobicContact CD2-CD1 4.11Å; F39-L42 HydrophobicContact CG-CD1 3.94Å; F39-L42 PolarHBondContact O-N 3.31Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.19Å; L42-V45 PolarHBondContact O-N 3.37Å; L42-G46 PolarHBondContact O-N 3.42Å; L42-I51 HydrophobicContact CB-CD1 4.23Å; L42-I51 HydrophobicContact CD2-CD1 4.36Å; L42-Y59 HydrophobicContact CD1-CE2 4.44Å
43A82.4Confident83.5Confident27 Ų2783.4 Ų83.422%0.22348%0.482CS..Hα-helixtrans-61.3-36.3172.300000111.8L36 F39 N47L36-A43 HydrophobicContact CB-CB 4.38Å; F39-A43 PolarHBondContact O-N 2.87Å; A43-N47 VanDerWaalsContact O-CG 3.27Å; A43-N47 PolarHBondContact O-N 3.18Å; A43-N47 PolarHBondContact O-ND2 3.49Å
44Q82.1Confident83.6Confident122 Ų12278.1 Ų78.157%0.5748%0.476SS*.Hα-helixtrans-67.3-49.1174.6-70.7171.512.200111.4Q40 G41 L42 G46 N47 E48Q40-Q44 WeakPolarHBondContact O-CG 3.43Å; Q40-Q44 PolarHBondContact O-N 2.91Å; G41-Q44 PolarHBondContact O-N 3.31Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 3.19Å; Q44-G46 VanDerWaalsContact C-N 3.3Å; Q44-G46 PolarHBondContact O-N 3.35Å; Q44-N47 WeakPolarHBondContact O-CB 3.48Å; Q44-N47 PolarHBondContact O-N 3.28Å; Q44-E48 PolarHBondContact O-N 3.27Å
45V81Confident83.8Confident74 Ų7479.6 Ų79.645%0.44847%0.472SS..Hα-helixtrans-59.2-41.5177.6176.50000111.6G41 L42 N47 E48 G49 I51G41-V45 WeakPolarHBondContact O-CG2 3.41Å; G41-V45 PolarHBondContact O-N 3.36Å; L42-V45 PolarHBondContact O-N 3.37Å; V45-N47 PolarHBondContact O-N 2.88Å; V45-E48 PolarHBondContact O-N 3.11Å; V45-E48 VanDerWaalsContact O-N 3.09Å; V45-G49 PolarHBondContact O-N 2.97Å; V45-I51 HydrophobicContact CG1-CG1 4.43Å
46G75Confident83.9Confident26 Ų2677.1 Ų77.127%0.26846%0.462SS..Hα-helixtrans-58.7-31.5176.200000113.5L42 Q44 G50L42-G46 PolarHBondContact O-N 3.42Å; Q44-G46 VanDerWaalsContact C-N 3.3Å; Q44-G46 PolarHBondContact O-N 3.35Å; G46-G50 WeakPolarHBondContact O-CA 3.37Å; G46-G50 PolarHBondContact O-N 2.83Å
47N75.5Confident84.3Confident145 Ų14582 Ų8278%0.77548%0.484SS*.Hα-helixtrans-79.6-24.1177.3-66.1-26000113.4A43 Q44 V45A43-N47 VanDerWaalsContact O-CG 3.27Å; A43-N47 PolarHBondContact O-N 3.18Å; A43-N47 PolarHBondContact O-ND2 3.49Å; Q44-N47 WeakPolarHBondContact O-CB 3.48Å; Q44-N47 PolarHBondContact O-N 3.28Å; V45-N47 PolarHBondContact O-N 2.88Å
48E74.5Confident84.8Confident170 Ų17082 Ų8279%0.79448%0.476SS*.Hα-helixtrans-95.1-14.8-172.6-70178.1-178.800114Q44 V45Q44-E48 PolarHBondContact O-N 3.27Å; V45-E48 PolarHBondContact O-N 3.11Å; V45-E48 VanDerWaalsContact O-N 3.09Å
49G75.6Confident85.2Confident74 Ų7482.2 Ų82.276%0.76347%0.474SS*.Hα-helixtrans-175.66.4177.500000115.4V45V45-G49 PolarHBondContact O-N 2.97Å
50G81.4Confident85.6Confident42 Ų4281.3 Ų81.343%0.43347%0.472SS..  trans70.4168.1-169.100000112.7G46G46-G50 WeakPolarHBondContact O-CA 3.37Å; G46-G50 PolarHBondContact O-N 2.83Å
51I84.9Confident86.2Confident44 Ų4479.2 Ų79.223%0.22646%0.462CS..  trans-101.8133.8170.1-59.6-173.7000106.9F31 L36 L42 V45 D55 V56F31-I51 HydrophobicContact CE2-CD1 4.2Å; F31-I51 HydrophobicContact CZ-CD1 3.93Å; F31-I51 HydrophobicContact CZ-CG2 4.5Å; L36-I51 HydrophobicContact CD1-CD1 3.4Å; L36-I51 HydrophobicContact CD1-CG1 4.19Å; L36-I51 HydrophobicContact CD2-CD1 4.45Å; L42-I51 HydrophobicContact CB-CD1 4.23Å; L42-I51 HydrophobicContact CD2-CD1 4.36Å; V45-I51 HydrophobicContact CG1-CG1 4.43Å; I51-D55 HydrophobicContact CG2-CB 3.59Å; I51-V56 HydrophobicContact CB-CG2 4.32Å; I51-V56 HydrophobicContact CG2-CG2 3.86Å
52S89.5Confident86.8Confident56 Ų5682.4 Ų82.439%0.39246%0.464SS..  trans-64.9150.7179.581.10000111A54 D55 V56S52-A54 PolarHBondContact O-N 3.04Å; S52-D55 WeakPolarHBondContact CB-OD2 3.44Å; S52-D55 PolarHBondContact O-N 2.94Å; S52-D55 VanDerWaalsContact O-N 3.07Å; S52-D55 PolarHBondContact OG-N 3.04Å; S52-D55 VanDerWaalsContact OG-N 3.14Å; S52-D55 PolarHBondContact OG-OD2 3.45Å; S52-V56 WeakPolarHBondContact O-CG2 3.37Å; S52-V56 PolarHBondContact O-N 3.4Å
53E91Very high87.4Confident170 Ų17080.2 Ų80.279%0.79445%0.453SS*.Hα-helixtrans-58.5-36177.8-173.3173.5-169.400112V56 E57E53-V56 WeakPolarHBondContact O-CB 3.44Å; E53-V56 PolarHBondContact O-N 3.21Å; E53-E57 PolarHBondContact O-N 3.17Å
54A93.6Very high88.1Confident65 Ų6581.3 Ų81.354%0.53745%0.453SS..Hα-helixtrans-63.8-40.4175.200000112.4S52 V56 E57 L58S52-A54 PolarHBondContact O-N 3.04Å; A54-V56 VanDerWaalsContact C-N 3.34Å; A54-E57 PolarHBondContact O-N 3.41Å; A54-L58 WeakPolarHBondContact O-CB 3.42Å; A54-L58 PolarHBondContact O-N 3.23Å
55D91Very high88.9Confident85 Ų8578.2 Ų78.246%0.45545%0.448SS..Hα-helixtrans-68.9-35.7175.3-63.3-44.3000111.4I51 S52 Y59I51-D55 HydrophobicContact CG2-CB 3.59Å; S52-D55 WeakPolarHBondContact CB-OD2 3.44Å; S52-D55 PolarHBondContact O-N 2.94Å; S52-D55 VanDerWaalsContact O-N 3.07Å; S52-D55 PolarHBondContact OG-N 3.04Å; S52-D55 VanDerWaalsContact OG-N 3.14Å; S52-D55 PolarHBondContact OG-OD2 3.45Å; D55-Y59 WeakPolarHBondContact O-CB 3.28Å; D55-Y59 PolarHBondContact O-N 2.96Å
56V91.8Very high89.7Confident36 Ų3677 Ų7722%0.21844%0.439CS..Hα-helixtrans-58.1-50.7172.7175.50000111F31 I51 S52 E53 A54 C60F31-V56 HydrophobicContact CD1-CB 4.49Å; F31-V56 HydrophobicContact CD1-CG1 4.12Å; F31-V56 HydrophobicContact CE1-CB 4.36Å; F31-V56 HydrophobicContact CE1-CG1 4.48Å; F31-V56 HydrophobicContact CE1-CG2 4.27Å; I51-V56 HydrophobicContact CB-CG2 4.32Å; I51-V56 HydrophobicContact CG2-CG2 3.86Å; S52-V56 WeakPolarHBondContact O-CG2 3.37Å; S52-V56 PolarHBondContact O-N 3.4Å; E53-V56 WeakPolarHBondContact O-CB 3.44Å; E53-V56 PolarHBondContact O-N 3.21Å; A54-V56 VanDerWaalsContact C-N 3.34Å; V56-C60 WeakPolarHBondContact O-CB 3.13Å; V56-C60 PolarHBondContact O-N 3.34Å; V56-C60 PolarHBondContact O-SG 3.48Å
57E94.8Very high90.7Very high123 Ų12377.4 Ų77.458%0.57543%0.434SS*.Hα-helixtrans-60.7-50.4178.4-172.1168.4-153.500111.4E53 A54 Y59 C60 E61E53-E57 PolarHBondContact O-N 3.17Å; A54-E57 PolarHBondContact O-N 3.41Å; E57-Y59 VanDerWaalsContact C-N 3.32Å; E57-Y59 PolarHBondContact O-N 3.35Å; E57-C60 WeakPolarHBondContact O-CB 3.17Å; E57-C60 PolarHBondContact O-N 2.89Å; E57-C60 VanDerWaalsContact O-N 3.07Å; E57-E61 WeakPolarHBondContact O-CG 3.21Å; E57-E61 PolarHBondContact O-N 3.23Å
58L94.9Very high91.7Very high109 Ų10977.1 Ų77.157%0.57143%0.426SS*.Hα-helixtrans-56.7-44-179.6-177.666.5000112.5A54 E61 H62A54-L58 WeakPolarHBondContact O-CB 3.42Å; A54-L58 PolarHBondContact O-N 3.23Å; L58-E61 PolarHBondContact O-N 2.78Å; L58-H62 WeakPolarHBondContact O-CB 3.2Å; L58-H62 PolarHBondContact O-N 3.02Å
59Y92.3Very high92.8Very high62 Ų6270.7 Ų70.724%0.24340%0.397CS..Hα-helixtrans-68.7-38.8178.1-170.6-95.5000112.1F31 F39 L42 D55 E57 E61 H62 L63F31-Y59 HydrophobicContact CB-CD1 3.97Å; F31-Y59 HydrophobicContact CB-CE1 4.21Å; F31-Y59 AromaticContact CD1-CD1 3.31Å; F31-Y59 HydrophobicContact CD1-CD1 3.31Å; F31-Y59 HydrophobicContact CD1-CE1 4.21Å; F31-Y59 AromaticContact CD1-CG 3.81Å; F31-Y59 HydrophobicContact CD1-CG 3.81Å; F31-Y59 AromaticContact CD2-CD1 3.58Å; F31-Y59 HydrophobicContact CD2-CD1 3.58Å; F31-Y59 AromaticContact CD2-CE1 3.64Å; F31-Y59 HydrophobicContact CD2-CE1 3.64Å; F31-Y59 HydrophobicContact CD2-CG 4.36Å; F31-Y59 AromaticContact CE1-CD1 3.52Å; F31-Y59 HydrophobicContact CE1-CD1 3.52Å; F31-Y59 HydrophobicContact CE1-CD2 4.49Å; F31-Y59 HydrophobicContact CE1-CE1 4.47Å; F31-Y59 AromaticContact CE1-CG 3.52Å; F31-Y59 HydrophobicContact CE1-CG 3.52Å; F31-Y59 AromaticContact CE2-CD1 3.84Å; F31-Y59 HydrophobicContact CE2-CD1 3.84Å; F31-Y59 HydrophobicContact CE2-CE1 4.02Å; F31-Y59 HydrophobicContact CE2-CG 4.19Å; F31-Y59 AromaticContact CG-CD1 3.32Å; F31-Y59 HydrophobicContact CG-CD1 3.32Å; F31-Y59 AromaticContact CG-CE1 3.76Å; F31-Y59 HydrophobicContact CG-CE1 3.76Å; F31-Y59 HydrophobicContact CG-CG 4.2Å; F31-Y59 AromaticContact CZ-CD1 3.81Å; F31-Y59 HydrophobicContact CZ-CD1 3.81Å; F31-Y59 HydrophobicContact CZ-CD2 4.36Å; F31-Y59 HydrophobicContact CZ-CE1 4.41Å; F31-Y59 AromaticContact CZ-CG 3.76Å; F31-Y59 HydrophobicContact CZ-CG 3.76Å; F39-Y59 VanDerWaalsContact CE1-OH 3.23Å; F39-Y59 WeakPolarHBondContact CE1-OH 3.37Å; F39-Y59 HydrophobicContact CE2-CE1 4.13Å; F39-Y59 HydrophobicContact CZ-CE1 4.08Å; F39-Y59 WeakPolarHBondContact CZ-OH 2.98Å; L42-Y59 HydrophobicContact CD1-CE2 4.44Å; D55-Y59 WeakPolarHBondContact O-CB 3.28Å; D55-Y59 PolarHBondContact O-N 2.96Å; E57-Y59 VanDerWaalsContact C-N 3.32Å; E57-Y59 PolarHBondContact O-N 3.35Å; Y59-E61 VanDerWaalsContact C-N 3.32Å; Y59-E61 PolarHBondContact O-N 3.33Å; Y59-H62 WeakPolarHBondContact O-CB 3.41Å; Y59-H62 PolarHBondContact O-N 3.34Å; Y59-L63 HydrophobicContact CD1-CD1 3.76Å; Y59-L63 HydrophobicContact CD1-CG 4.09Å; Y59-L63 HydrophobicContact CE1-CD1 3.32Å; Y59-L63 HydrophobicContact CE1-CD2 4.33Å; Y59-L63 HydrophobicContact CE1-CG 3.78Å; Y59-L63 PolarHBondContact O-N 2.96Å
60C95.1Very high93.7Very high15 Ų1569.4 Ų69.410%0.10137%0.37CS..Hα-helixtrans-64.3-38.3176.1-72.60000112K28 V56 E57 Q64K28-C60 HydrophobicContact CG-CB 4.12Å; V56-C60 WeakPolarHBondContact O-CB 3.13Å; V56-C60 PolarHBondContact O-N 3.34Å; V56-C60 PolarHBondContact O-SG 3.48Å; E57-C60 WeakPolarHBondContact O-CB 3.17Å; E57-C60 PolarHBondContact O-N 2.89Å; E57-C60 VanDerWaalsContact O-N 3.07Å; C60-Q64 WeakPolarHBondContact O-CB 3.17Å; C60-Q64 PolarHBondContact O-N 3.24Å; C60-Q64 VanDerWaalsContact O-N 3.08Å
61E97.2Very high94.3Very high119 Ų11970.1 Ų70.156%0.55637%0.366SS*.Hα-helixtrans-64.2-44.4171.8-71.4-170.9154.900111.5E57 L58 Y59 L63 Q64 A65E57-E61 WeakPolarHBondContact O-CG 3.21Å; E57-E61 PolarHBondContact O-N 3.23Å; L58-E61 PolarHBondContact O-N 2.78Å; Y59-E61 VanDerWaalsContact C-N 3.32Å; Y59-E61 PolarHBondContact O-N 3.33Å; E61-L63 PolarHBondContact O-N 3.41Å; E61-Q64 WeakPolarHBondContact O-CB 3.25Å; E61-Q64 PolarHBondContact O-N 2.91Å; E61-A65 WeakPolarHBondContact O-CB 3.44Å; E61-A65 PolarHBondContact O-N 3.38Å
62H96.5Very high94.9Very high114 Ų11476.7 Ų76.753%0.52839%0.388SS..Hα-helixtrans-59.1-49.4177.3-178.973.9000112.1L58 Y59 Q64 A65 L66L58-H62 WeakPolarHBondContact O-CB 3.2Å; L58-H62 PolarHBondContact O-N 3.02Å; Y59-H62 WeakPolarHBondContact O-CB 3.41Å; Y59-H62 PolarHBondContact O-N 3.34Å; H62-Q64 VanDerWaalsContact C-N 3.26Å; H62-Q64 PolarHBondContact O-N 3.34Å; H62-A65 PolarHBondContact O-N 2.88Å; H62-L66 WeakPolarHBondContact O-CB 3.44Å; H62-L66 PolarHBondContact O-N 3.05Å
63L96.2Very high95.1Very high7 Ų781.4 Ų81.44%0.03740%0.397CS..Hα-helixtrans-61.3-36.9176.4-72.9-178.9000112.1L24 F27 K28 Y59 E61 H67L24-L63 HydrophobicContact CD2-CD2 4.28Å; F27-L63 HydrophobicContact CB-CD1 3.74Å; K28-L63 HydrophobicContact CB-CB 4.08Å; K28-L63 HydrophobicContact CB-CD1 3.92Å; K28-L63 VanDerWaalsContact N-CD1 3.33Å; Y59-L63 HydrophobicContact CD1-CD1 3.76Å; Y59-L63 HydrophobicContact CD1-CG 4.09Å; Y59-L63 HydrophobicContact CE1-CD1 3.32Å; Y59-L63 HydrophobicContact CE1-CD2 4.33Å; Y59-L63 HydrophobicContact CE1-CG 3.78Å; Y59-L63 PolarHBondContact O-N 2.96Å; E61-L63 PolarHBondContact O-N 3.41Å; L63-H67 WeakPolarHBondContact O-CB 3.11Å; L63-H67 PolarHBondContact O-N 3.21Å
64Q97.4Very high95.1Very high50 Ų5076.4 Ų76.423%0.23437%0.373CS..Hα-helixtrans-67.1-40.8175.9-174.762.166.900112.2K28 C60 E61 H62 K68K28-Q64 HydrophobicContact CD-CB 4.22Å; C60-Q64 WeakPolarHBondContact O-CB 3.17Å; C60-Q64 PolarHBondContact O-N 3.24Å; C60-Q64 VanDerWaalsContact O-N 3.08Å; E61-Q64 WeakPolarHBondContact O-CB 3.25Å; E61-Q64 PolarHBondContact O-N 2.91Å; H62-Q64 VanDerWaalsContact C-N 3.26Å; H62-Q64 PolarHBondContact O-N 3.34Å; Q64-K68 WeakPolarHBondContact O-CG 3.36Å; Q64-K68 PolarHBondContact O-N 3.01Å
65A97.7Very high95Very high56 Ų5679.4 Ų79.446%0.46338%0.376SS..Hα-helixtrans-65.6-43.7176.500000110.9E61 H62 H67 K68 D69E61-A65 WeakPolarHBondContact O-CB 3.44Å; E61-A65 PolarHBondContact O-N 3.38Å; H62-A65 PolarHBondContact O-N 2.88Å; A65-H67 PolarHBondContact O-N 2.91Å; A65-K68 PolarHBondContact O-N 3.48Å; A65-D69 WeakPolarHBondContact O-CB 3.47Å; A65-D69 PolarHBondContact O-N 3.34Å
66L97Very high94.9Very high49 Ų4980 Ų8026%0.25738%0.379SS..Hα-helixtrans-60.7-45.1176.3-171.564.2000111.5L24 H62 D69 F70L24-L66 HydrophobicContact CD1-CB 4.43Å; L24-L66 HydrophobicContact CD1-CD2 4.08Å; L24-L66 HydrophobicContact CD1-CG 3.96Å; L24-L66 HydrophobicContact CD2-CD2 3.8Å; H62-L66 WeakPolarHBondContact O-CB 3.44Å; H62-L66 PolarHBondContact O-N 3.05Å; L66-D69 PolarHBondContact O-N 3.01Å; L66-F70 HydrophobicContact CD1-CD2 3.81Å; L66-F70 HydrophobicContact CD1-CE2 3.52Å; L66-F70 HydrophobicContact CG-CD2 4.12Å; L66-F70 HydrophobicContact CG-CE2 4.12Å; L66-F70 WeakPolarHBondContact O-CD2 3.39Å; L66-F70 PolarHBondContact O-N 2.96Å
67H97.3Very high94.7Very high35 Ų3578.9 Ų78.916%0.16237%0.372CS..Hα-helixtrans-58.5-49.9174.4-180-75.3000111.2M21 L24 L25 L63 A65 D69 F70 T71M21-H67 HydrophobicContact CE-CB 4.3Å; M21-H67 VanDerWaalsContact CE-CD2 3.41Å; M21-H67 WeakPolarHBondContact CE-CD2 3.44Å; M21-H67 WeakPolarHBondContact CE-O 3.5Å; L24-H67 HydrophobicContact CB-CB 4.46Å; L24-H67 HydrophobicContact CD1-CB 4.3Å; L25-H67 HydrophobicContact CD2-CB 4.33Å; L25-H67 VanDerWaalsContact CG-CD2 3.44Å; L25-H67 WeakPolarHBondContact CG-CD2 3.06Å; L63-H67 WeakPolarHBondContact O-CB 3.11Å; L63-H67 PolarHBondContact O-N 3.21Å; A65-H67 PolarHBondContact O-N 2.91Å; H67-D69 VanDerWaalsContact C-N 3.3Å; H67-D69 PolarHBondContact O-N 3.37Å; H67-F70 PolarHBondContact O-N 3.38Å; H67-T71 PolarHBondContact CE1-OG1 3.2Å; H67-T71 WeakPolarHBondContact O-CB 3.09Å; H67-T71 PolarHBondContact O-N 2.87Å; H67-T71 PolarHBondContact O-OG1 3.17Å
68K96.9Very high94.2Very high139 Ų13975.5 Ų75.560%0.60436%0.358SS*.Hα-helixtrans-59-41.6178.8-74.7175.5177.4-179.30112.3Q64 A65 T71 R72Q64-K68 WeakPolarHBondContact O-CG 3.36Å; Q64-K68 PolarHBondContact O-N 3.01Å; A65-K68 PolarHBondContact O-N 3.48Å; K68-T71 PolarHBondContact O-N 3.22Å; K68-R72 WeakPolarHBondContact O-CB 3.41Å; K68-R72 PolarHBondContact O-N 3.17Å
69D97.1Very high93.8Very high35 Ų3573.8 Ų73.819%0.18735%0.354CS..Hα-helixtrans-65.7-45.8179.7-17959.1000111.8A65 L66 H67 R72 R73A65-D69 WeakPolarHBondContact O-CB 3.47Å; A65-D69 PolarHBondContact O-N 3.34Å; L66-D69 PolarHBondContact O-N 3.01Å; H67-D69 VanDerWaalsContact C-N 3.3Å; H67-D69 PolarHBondContact O-N 3.37Å; D69-R72 PolarHBondContact O-N 2.82Å; D69-R72 IonicContact OD1-NH2 2.91Å; D69-R72 PolarHBondContact OD1-NH2 2.91Å; D69-R73 WeakPolarHBondContact O-CB 3.33Å; D69-R73 WeakPolarHBondContact O-CG 3.47Å; D69-R73 PolarHBondContact O-N 2.87Å; D69-R73 IonicContact OD1-CZ 2.96Å; D69-R73 IonicContact OD1-NE 3.34Å; D69-R73 PolarHBondContact OD1-NE 3.25Å; D69-R73 IonicContact OD1-NH2 3.95Å; D69-R73 PolarHBondContact OD1-NH2 3.45Å; D69-R73 IonicContact OD2-CZ 3.91Å; D69-R73 IonicContact OD2-NE 2.78Å; D69-R73 PolarHBondContact OD2-NE 2.87Å; D69-R73 IonicContact OD2-NH1 3.51Å; D69-R73 IonicContact OD2-NH2 3.23Å; D69-R73 PolarHBondContact OD2-NH2 3.47Å
70F94.9Very high93.4Very high47 Ų4773.3 Ų73.321%0.20636%0.355CS..Hα-helixtrans-65.1-40.9175.7-88.9-113.5000112.4F20 M21 L66 H67 R72 R73 F74F20-F70 HydrophobicContact CD1-CD1 4.11Å; F20-F70 HydrophobicContact CD1-CE1 4.05Å; F20-F70 AromaticContact CE1-CD1 3.77Å; F20-F70 HydrophobicContact CE1-CD1 3.77Å; F20-F70 AromaticContact CE1-CE1 3.47Å; F20-F70 HydrophobicContact CE1-CE1 3.47Å; F20-F70 VanDerWaalsContact CE1-CE1 3.47Å; F20-F70 HydrophobicContact CE1-CE2 4.5Å; F20-F70 HydrophobicContact CE1-CG 4.41Å; F20-F70 AromaticContact CE1-CZ 3.87Å; F20-F70 HydrophobicContact CE1-CZ 3.87Å; F20-F70 HydrophobicContact CZ-CE1 4.31Å; F20-F70 HydrophobicContact CZ-CZ 4.37Å; M21-F70 HydrophobicContact CE-CB 3.71Å; M21-F70 HydrophobicContact SD-CB 3.21Å; M21-F70 WeakPolarHBondContact SD-CB 3.5Å; M21-F70 HydrophobicContact SD-CD1 4.15Å; M21-F70 HydrophobicContact SD-CG 3.95Å; L66-F70 HydrophobicContact CD1-CD2 3.81Å; L66-F70 HydrophobicContact CD1-CE2 3.52Å; L66-F70 HydrophobicContact CG-CD2 4.12Å; L66-F70 HydrophobicContact CG-CE2 4.12Å; L66-F70 WeakPolarHBondContact O-CD2 3.39Å; L66-F70 PolarHBondContact O-N 2.96Å; H67-F70 PolarHBondContact O-N 3.38Å; F70-R72 PolarHBondContact O-N 2.98Å; F70-R73 PolarHBondContact O-N 3.29Å; F70-F74 HydrophobicContact CB-CD2 4.32Å; F70-F74 AromaticContact CD1-CD2 3.79Å; F70-F74 HydrophobicContact CD1-CD2 3.79Å; F70-F74 AromaticContact CD1-CE2 3.54Å; F70-F74 HydrophobicContact CD1-CE2 3.54Å; F70-F74 HydrophobicContact CE1-CD2 4.48Å; F70-F74 AromaticContact CE1-CE2 3.8Å; F70-F74 HydrophobicContact CE1-CE2 3.8Å; F70-F74 HydrophobicContact CG-CD2 4.29Å; F70-F74 HydrophobicContact CG-CE2 4.2Å; F70-F74 WeakPolarHBondContact O-CD2 3.22Å; F70-F74 PolarHBondContact O-N 2.96Å
71T94.3Very high92.7Very high56 Ų5679.8 Ų79.834%0.34439%0.387SS..Hα-helixtrans-57.5-41.5175-61.30000110.7M21 H67 K68 Q75M21-T71 WeakPolarHBondContact CE-OG1 3.42Å; H67-T71 PolarHBondContact CE1-OG1 3.2Å; H67-T71 WeakPolarHBondContact O-CB 3.09Å; H67-T71 PolarHBondContact O-N 2.87Å; H67-T71 PolarHBondContact O-OG1 3.17Å; K68-T71 PolarHBondContact O-N 3.22Å; T71-Q75 WeakPolarHBondContact O-CA 3.5Å; T71-Q75 WeakPolarHBondContact O-CB 3.18Å; T71-Q75 PolarHBondContact O-N 3.43Å
72R95.8Very high91.5Very high182 Ų18275.3 Ų75.369%0.68737%0.368SS*.Hα-helixtrans-70.5-44.5178.2-175.2-177.466.3122.80.6112.4K68 D69 F70K68-R72 WeakPolarHBondContact O-CB 3.41Å; K68-R72 PolarHBondContact O-N 3.17Å; D69-R72 PolarHBondContact O-N 2.82Å; D69-R72 IonicContact OD1-NH2 2.91Å; D69-R72 PolarHBondContact OD1-NH2 2.91Å; F70-R72 PolarHBondContact O-N 2.98Å
73R94.8Very high90.4Very high156 Ų15672.9 Ų72.959%0.58936%0.362SS*.Hα-helixtrans-70-31.3-175.9-73.6-176.8-163.7-163.212.2113.6D69 F70D69-R73 WeakPolarHBondContact O-CB 3.33Å; D69-R73 WeakPolarHBondContact O-CG 3.47Å; D69-R73 PolarHBondContact O-N 2.87Å; D69-R73 IonicContact OD1-CZ 2.96Å; D69-R73 IonicContact OD1-NE 3.34Å; D69-R73 PolarHBondContact OD1-NE 3.25Å; D69-R73 IonicContact OD1-NH2 3.95Å; D69-R73 PolarHBondContact OD1-NH2 3.45Å; D69-R73 IonicContact OD2-CZ 3.91Å; D69-R73 IonicContact OD2-NE 2.78Å; D69-R73 PolarHBondContact OD2-NE 2.87Å; D69-R73 IonicContact OD2-NH1 3.51Å; D69-R73 IonicContact OD2-NH2 3.23Å; D69-R73 PolarHBondContact OD2-NH2 3.47Å; F70-R73 PolarHBondContact O-N 3.29Å
74F91.5Very high89.4Confident65 Ų6577.4 Ų77.429%0.28539%0.386SS..THydrogen-bonded Turntrans-116.625.1-176.2-58.7-69.6000112.1L17 F70 D76 I77 L78L17-F74 HydrophobicContact CD1-CB 3.97Å; L17-F74 HydrophobicContact CD1-CD1 3.95Å; L17-F74 HydrophobicContact CD1-CG 3.9Å; L17-F74 HydrophobicContact CD2-CD2 4.07Å; L17-F74 HydrophobicContact CD2-CE2 4.21Å; L17-F74 HydrophobicContact CD2-CG 4.25Å; L17-F74 HydrophobicContact CD2-CZ 4.49Å; F70-F74 HydrophobicContact CB-CD2 4.32Å; F70-F74 AromaticContact CD1-CD2 3.79Å; F70-F74 HydrophobicContact CD1-CD2 3.79Å; F70-F74 AromaticContact CD1-CE2 3.54Å; F70-F74 HydrophobicContact CD1-CE2 3.54Å; F70-F74 HydrophobicContact CE1-CD2 4.48Å; F70-F74 AromaticContact CE1-CE2 3.8Å; F70-F74 HydrophobicContact CE1-CE2 3.8Å; F70-F74 HydrophobicContact CG-CD2 4.29Å; F70-F74 HydrophobicContact CG-CE2 4.2Å; F70-F74 WeakPolarHBondContact O-CD2 3.22Å; F70-F74 PolarHBondContact O-N 2.96Å; F74-D76 VanDerWaalsContact C-OD1 3.25Å; F74-D76 WeakPolarHBondContact CA-OD1 3.38Å; F74-D76 PolarHBondContact O-N 3.03Å; F74-I77 HydrophobicContact CD1-CD1 4.02Å; F74-I77 PolarHBondContact O-N 3.12Å; F74-L78 HydrophobicContact CB-CD1 4.5Å; F74-L78 HydrophobicContact CB-CG 4.48Å; F74-L78 WeakPolarHBondContact O-CB 3.46Å; F74-L78 VanDerWaalsContact O-CG 3.22Å; F74-L78 WeakPolarHBondContact O-CG 3.36Å; F74-L78 PolarHBondContact O-N 3.07Å
75Q91.3Very high88.3Confident128 Ų12881.6 Ų81.660%0.59840%0.4SS*.Hα-helixtrans-57.5-41.4-178.7-172.9-132.9-41.600111T71 L78 S79T71-Q75 WeakPolarHBondContact O-CA 3.5Å; T71-Q75 WeakPolarHBondContact O-CB 3.18Å; T71-Q75 PolarHBondContact O-N 3.43Å; Q75-L78 PolarHBondContact O-N 3.43Å; Q75-S79 WeakPolarHBondContact O-CB 3.23Å; Q75-S79 PolarHBondContact O-N 2.82Å; Q75-S79 PolarHBondContact O-OG 2.83Å
76D88.4Confident86.9Confident98 Ų9879.3 Ų79.352%0.52438%0.382SS..Hα-helixtrans-53-56174.860.2-28.6000111.4F74 L78 S79 M80F74-D76 VanDerWaalsContact C-OD1 3.25Å; F74-D76 WeakPolarHBondContact CA-OD1 3.38Å; F74-D76 PolarHBondContact O-N 3.03Å; D76-L78 PolarHBondContact O-N 2.97Å; D76-S79 PolarHBondContact O-N 3.48Å; D76-S79 PolarHBondContact O-OG 3.2Å; D76-S79 VanDerWaalsContact O-OG 3.11Å; D76-M80 WeakPolarHBondContact O-CB 3.22Å; D76-M80 PolarHBondContact O-N 3.45Å
77I86.7Confident85.6Confident12 Ų1281.1 Ų81.16%0.06239%0.391CS..Hα-helixtrans-67.7-37.9-179.3-62.4168.5000111.7R13 Q14 L17 F74R13-I77 HydrophobicContact CB-CD1 4.3Å; R13-I77 HydrophobicContact CB-CG2 3.83Å; Q14-I77 HydrophobicContact CB-CG2 4.13Å; L17-I77 HydrophobicContact CD1-CB 4.19Å; L17-I77 HydrophobicContact CD1-CD1 4.06Å; L17-I77 HydrophobicContact CD1-CG2 3.76Å; F74-I77 HydrophobicContact CD1-CD1 4.02Å; F74-I77 PolarHBondContact O-N 3.12Å
78L85.8Confident84.5Confident52 Ų5282.8 Ų82.827%0.27240%0.401SS..Hα-helixtrans-68.6-36.4179.2-71.5172000111.9Q14 L17 F74 Q75 D76Q14-L78 PolarHBondContact NE2-O 2.88Å; L17-L78 HydrophobicContact CB-CD2 4.34Å; F74-L78 HydrophobicContact CB-CD1 4.5Å; F74-L78 HydrophobicContact CB-CG 4.48Å; F74-L78 WeakPolarHBondContact O-CB 3.46Å; F74-L78 VanDerWaalsContact O-CG 3.22Å; F74-L78 WeakPolarHBondContact O-CG 3.36Å; F74-L78 PolarHBondContact O-N 3.07Å; Q75-L78 PolarHBondContact O-N 3.43Å; D76-L78 PolarHBondContact O-N 2.97Å
79S86.6Confident83.4Confident72 Ų7277.6 Ų77.650%0.50338%0.382SS..Hα-helixtrans-86.3-8.8-179.969.90000114.5Q75 D76 I81Q75-S79 WeakPolarHBondContact O-CB 3.23Å; Q75-S79 PolarHBondContact O-N 2.82Å; Q75-S79 PolarHBondContact O-OG 2.83Å; D76-S79 PolarHBondContact O-N 3.48Å; D76-S79 PolarHBondContact O-OG 3.2Å; D76-S79 VanDerWaalsContact O-OG 3.11Å; S79-I81 PolarHBondContact O-N 2.86Å
80M83.6Confident82.6Confident52 Ų5277 Ų7726%0.25638%0.379SS..PPolyproline II helixtrans-66.9125.8-176.4172.6-173.874.800110.5P10 Q14 D76 V82P10-M80 HydrophobicContact CB-CE 3.19Å; P10-M80 HydrophobicContact CB-SD 3.15Å; P10-M80 WeakPolarHBondContact CB-SD 3.48Å; P10-M80 HydrophobicContact CG-CE 4.5Å; P10-M80 HydrophobicContact CG-SD 4.27Å; P10-M80 VanDerWaalsContact O-CE 3.23Å; P10-M80 WeakPolarHBondContact O-CE 3.43Å; Q14-M80 HydrophobicContact CB-CE 4.2Å; Q14-M80 PolarHBondContact NE2-O 3.06Å; D76-M80 WeakPolarHBondContact O-CB 3.22Å; D76-M80 PolarHBondContact O-N 3.45Å; M80-V82 HydrophobicContact CE-CG2 4.39Å
81I79.6Confident81.5Confident152 Ų15278.4 Ų78.478%0.77939%0.391SS*.PPolyproline II helixtrans-90.4117.6172.8-60.3174.9000106.3S79 P83S79-I81 PolarHBondContact O-N 2.86Å; I81-P83 WeakPolarHBondContact O-CD 3.34Å
82V72.9Confident80.2Confident25 Ų2579.6 Ų79.615%0.15240%0.395CS..PPolyproline II helixtrans-78.8119171.6-173.10000106.9N11 M80 I87N11-V82 HydrophobicContact CB-CG2 4.47Å; N11-V82 VanDerWaalsContact CG-CG1 3.47Å; N11-V82 VanDerWaalsContact ND2-CG1 3.25Å; N11-V82 WeakPolarHBondContact ND2-CG1 3.43Å; N11-V82 WeakPolarHBondContact OD1-CG1 3.41Å; N11-V82 WeakPolarHBondContact OD1-CG2 3.46Å; M80-V82 HydrophobicContact CE-CG2 4.39Å; V82-I87 HydrophobicContact CB-CD1 4.19Å; V82-I87 HydrophobicContact CB-CG1 4.39Å; V82-I87 HydrophobicContact CG1-CD1 4Å; V82-I87 HydrophobicContact CG1-CG1 3.65Å
83P73.5Confident79Confident62 Ų6271.4 Ų71.440%0.40337%0.366SS..PPolyproline II helixtrans-59.9144.2174.8-22.534.1000110.8I81 W85 G86I81-P83 WeakPolarHBondContact O-CD 3.34Å; P83-W85 HydrophobicContact CB-CD2 4.49Å; P83-W85 HydrophobicContact CB-CG 4.13Å; P83-W85 PolarHBondContact O-N 3.48Å; P83-W85 VanDerWaalsContact O-N 3.14Å; P83-G86 PolarHBondContact O-N 3.37Å
84D74.3Confident78Confident102 Ų10270.3 Ų70.355%0.54537%0.372SS..Hα-helixtrans-55.3-35.8-179.5-72-23.9000112G86 I87 N88D84-G86 VanDerWaalsContact C-N 3.25Å; D84-G86 PolarHBondContact O-N 3.18Å; D84-I87 CarbonylContact O-C 3.5Å; D84-I87 PolarHBondContact O-N 3.25Å; D84-N88 CarbonylContact O-C 3.56Å; D84-N88 PolarHBondContact O-N 3.33Å
85W73.4Confident77.4Confident138 Ų13874 Ų7452%0.52340%0.395SS..Hα-helixtrans-63-28.6177.171.2-103.7000113.4P83 I87 N88 P89 W125P83-W85 HydrophobicContact CB-CD2 4.49Å; P83-W85 HydrophobicContact CB-CG 4.13Å; P83-W85 PolarHBondContact O-N 3.48Å; P83-W85 VanDerWaalsContact O-N 3.14Å; W85-I87 VanDerWaalsContact C-N 3.3Å; W85-N88 CarbonylContact O-C 3.58Å; W85-P89 WeakPolarHBondContact O-CA 3.35Å; W85-P89 WeakPolarHBondContact O-CB 2.95Å; W85-P89 WeakPolarHBondContact O-CD 3.41Å; W85-W125 AromaticContact CE3-CH2 3.83Å; W85-W125 HydrophobicContact CE3-CH2 3.83Å; W85-W125 AromaticContact CE3-CZ2 3.96Å; W85-W125 HydrophobicContact CE3-CZ2 3.96Å; W85-W125 AromaticContact CZ3-CH2 3.56Å; W85-W125 HydrophobicContact CZ3-CH2 3.56Å; W85-W125 AromaticContact CZ3-CZ2 3.89Å; W85-W125 HydrophobicContact CZ3-CZ2 3.89Å; W85-W125 HydrophobicContact CZ3-CZ3 4.09Å
86G69.5Low76.9Confident9 Ų972.2 Ų72.29%0.09339%0.386CS..Hα-helixtrans-71.7-27.7175.400000112.5P83 D84 W125P83-G86 PolarHBondContact O-N 3.37Å; D84-G86 VanDerWaalsContact C-N 3.25Å; D84-G86 PolarHBondContact O-N 3.18Å; G86-W125 PolarHBondContact O-NE1 3.01Å; G86-W125 VanDerWaalsContact O-NE1 3.12Å
87I69.7Low76.8Confident87 Ų8774.1 Ų74.145%0.44639%0.392SS..Hα-helixtrans-89.8-36.8177.6-57.2177.5000110.9V82 D84 W85 N121V82-I87 HydrophobicContact CB-CD1 4.19Å; V82-I87 HydrophobicContact CB-CG1 4.39Å; V82-I87 HydrophobicContact CG1-CD1 4Å; V82-I87 HydrophobicContact CG1-CG1 3.65Å; D84-I87 CarbonylContact O-C 3.5Å; D84-I87 PolarHBondContact O-N 3.25Å; W85-I87 VanDerWaalsContact C-N 3.3Å; I87-N121 PolarHBondContact O-ND2 3.5Å
88N74.8Confident76.8Confident69 Ų6979.7 Ų79.737%0.36942%0.421SS..  trans-152.188.6-178.8-169-13.8000108.4D84 W85 L90 T91D84-N88 CarbonylContact O-C 3.56Å; D84-N88 PolarHBondContact O-N 3.33Å; W85-N88 CarbonylContact O-C 3.58Å; N88-L90 PolarHBondContact O-N 3.32Å; N88-L90 PolarHBondContact OD1-N 3.12Å; N88-T91 HydrophobicContact CB-CG2 4.35Å; N88-T91 WeakPolarHBondContact CB-OG1 3.39Å; N88-T91 VanDerWaalsContact CG-CG2 3.44Å; N88-T91 WeakPolarHBondContact ND2-CG2 3.44Å; N88-T91 PolarHBondContact ND2-OG1 2.87Å; N88-T91 PolarHBondContact O-N 3.43Å; N88-T91 PolarHBondContact O-OG1 2.96Å; N88-T91 VanDerWaalsContact O-OG1 3.06Å
89P73.5Confident76.8Confident30 Ų3079.9 Ų79.920%0.19543%0.426CS..THydrogen-bonded Turntrans-63.8-10.7-173.322.3-31.3000113.2W85 L117 W125W85-P89 WeakPolarHBondContact O-CA 3.35Å; W85-P89 WeakPolarHBondContact O-CB 2.95Å; W85-P89 WeakPolarHBondContact O-CD 3.41Å; P89-L117 HydrophobicContact CG-CD1 4.12Å; P89-L117 HydrophobicContact CG-CD2 3.75Å; P89-W125 HydrophobicContact CB-CH2 4.4Å; P89-W125 HydrophobicContact CB-CZ2 4.12Å; P89-W125 HydrophobicContact CG-CZ2 4.15Å
90L79.1Confident76.7Confident23 Ų2379.9 Ų79.912%0.1242%0.42CS..THydrogen-bonded Turntrans-113.57.1-173.7-58.6-177.4000113.9N88 L104 L107 Q108 L117N88-L90 PolarHBondContact O-N 3.32Å; N88-L90 PolarHBondContact OD1-N 3.12Å; L90-L104 HydrophobicContact CD2-CD2 4.21Å; L90-L107 HydrophobicContact CD2-CB 3.98Å; L90-Q108 HydrophobicContact CB-CG 3.93Å; L90-Q108 WeakPolarHBondContact O-CG 3.3Å; L90-Q108 PolarHBondContact O-NE2 3.31Å; L90-L117 HydrophobicContact CD1-CD1 3.42Å; L90-L117 VanDerWaalsContact CD1-CD1 3.42Å; L90-L117 HydrophobicContact CG-CD1 3.86Å
91T71.3Confident76.9Confident77 Ų7779.9 Ų79.947%0.47242%0.419SS..SBendtrans-91.1-15.9-173.526.60000117.9N88N88-T91 HydrophobicContact CB-CG2 4.35Å; N88-T91 WeakPolarHBondContact CB-OG1 3.39Å; N88-T91 VanDerWaalsContact CG-CG2 3.44Å; N88-T91 WeakPolarHBondContact ND2-CG2 3.44Å; N88-T91 PolarHBondContact ND2-OG1 2.87Å; N88-T91 PolarHBondContact O-N 3.43Å; N88-T91 PolarHBondContact O-OG1 2.96Å; N88-T91 VanDerWaalsContact O-OG1 3.06Å
92N67.4Low77.2Confident80 Ų8078.9 Ų78.943%0.42841%0.412SS..  trans-130.369.6-173-66.5-11.5000111.2D94N92-D94 VanDerWaalsContact C-N 3.28Å; N92-D94 PolarHBondContact O-N 2.96Å
93S70.6Confident77.9Confident10 Ų1083.3 Ų83.37%0.0743%0.431CS..  trans-68.6-27.6174.947.70000112.9D95 E96 Q101S93-D95 VanDerWaalsContact C-N 3.3Å; S93-D95 PolarHBondContact O-N 3.36Å; S93-E96 PolarHBondContact O-N 3.25Å; S93-Q101 VanDerWaalsContact O-CG 3.23Å; S93-Q101 WeakPolarHBondContact O-CG 3.15Å; S93-Q101 PolarHBondContact O-NE2 2.96Å
94D74.4Confident78.6Confident133 Ų13381.9 Ų81.971%0.71142%0.42SS*.THydrogen-bonded Turntrans-72.8-20.8-164.7-62.1-3.9000114.1N92 Q101N92-D94 VanDerWaalsContact C-N 3.28Å; N92-D94 PolarHBondContact O-N 2.96Å; D94-Q101 PolarHBondContact O-NE2 3.37Å
95D79.2Confident79.2Confident143 Ų14381.6 Ų81.677%0.76542%0.418SS*.THydrogen-bonded Turntrans-91.4-7.3-179.6-69-35.3000113.3S93S93-D95 VanDerWaalsContact C-N 3.3Å; S93-D95 PolarHBondContact O-N 3.36Å
96E81Confident79.8Confident90 Ų9081.9 Ų81.942%0.42143%0.425SS..SBendtrans-88.7166.6-175.5-62.4-66.3173.500112.7S93 L100 Q101 L104S93-E96 PolarHBondContact O-N 3.25Å; E96-L100 HydrophobicContact CB-CB 4.15Å; E96-Q101 HydrophobicContact CB-CG 4.37Å; E96-Q101 WeakPolarHBondContact O-CG 3.43Å; E96-Q101 PolarHBondContact O-NE2 2.64Å; E96-L104 HydrophobicContact CB-CD1 4.26Å; E96-L104 HydrophobicContact CG-CD1 3.84Å
97E86Confident80.7Confident139 Ų13984.9 Ų84.965%0.6544%0.438SS*.  trans-59.7140.7173.6-170.8179.1171.300111S99 L100 Q101E97-S99 WeakPolarHBondContact CG-OG 3.33Å; E97-S99 PolarHBondContact O-N 2.98Å; E97-L100 HydrophobicContact CB-CD1 4.35Å; E97-L100 HydrophobicContact CB-CG 4.45Å; E97-L100 WeakPolarHBondContact O-CA 3.15Å; E97-L100 WeakPolarHBondContact O-CB 3.45Å; E97-L100 PolarHBondContact O-N 3.21Å; E97-Q101 WeakPolarHBondContact O-CG 3.35Å; E97-Q101 PolarHBondContact O-N 3.32Å
98I86.5Confident81.5Confident129 Ų12982.7 Ų82.766%0.66243%0.426SS*.Hα-helixtrans-48.4-39.6-175.8-66.6172.8000112.6L100 Q101 E102I98-L100 VanDerWaalsContact C-N 3.35Å; I98-L100 PolarHBondContact O-N 3.41Å; I98-Q101 PolarHBondContact O-N 3.32Å; I98-E102 PolarHBondContact O-N 3.43Å
99S85Confident81.9Confident56 Ų5683.7 Ų83.739%0.39244%0.438SS..Hα-helixtrans-60.3-40.9176.149.80000112.9E97E97-S99 WeakPolarHBondContact CG-OG 3.33Å; E97-S99 PolarHBondContact O-N 2.98Å
100L86.1Confident82.7Confident71 Ų7185.2 Ų85.237%0.37245%0.445SS..Hα-helixtrans-75.5-30.9176.5-62.5175.7000112E96 E97 I98 E102 E103 L104E96-L100 HydrophobicContact CB-CB 4.15Å; E97-L100 HydrophobicContact CB-CD1 4.35Å; E97-L100 HydrophobicContact CB-CG 4.45Å; E97-L100 WeakPolarHBondContact O-CA 3.15Å; E97-L100 WeakPolarHBondContact O-CB 3.45Å; E97-L100 PolarHBondContact O-N 3.21Å; I98-L100 VanDerWaalsContact C-N 3.35Å; I98-L100 PolarHBondContact O-N 3.41Å; L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 3.38Å; L100-E103 PolarHBondContact O-N 3.13Å; L100-L104 WeakPolarHBondContact O-CB 3.25Å; L100-L104 VanDerWaalsContact O-CG 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.37Å; L100-L104 PolarHBondContact O-N 2.86Å
101Q87.1Confident83Confident52 Ų5289.6 Ų89.624%0.24347%0.472CS..Hα-helixtrans-60.6-43.4179-55.9-162.8-16.500111.8S93 D94 E96 E97 I98 L104 L105S93-Q101 VanDerWaalsContact O-CG 3.23Å; S93-Q101 WeakPolarHBondContact O-CG 3.15Å; S93-Q101 PolarHBondContact O-NE2 2.96Å; D94-Q101 PolarHBondContact O-NE2 3.37Å; E96-Q101 HydrophobicContact CB-CG 4.37Å; E96-Q101 WeakPolarHBondContact O-CG 3.43Å; E96-Q101 PolarHBondContact O-NE2 2.64Å; E97-Q101 WeakPolarHBondContact O-CG 3.35Å; E97-Q101 PolarHBondContact O-N 3.32Å; I98-Q101 PolarHBondContact O-N 3.32Å; Q101-L104 PolarHBondContact O-N 3.11Å; Q101-L105 WeakPolarHBondContact O-CB 2.92Å; Q101-L105 VanDerWaalsContact O-CG 3.24Å; Q101-L105 WeakPolarHBondContact O-CG 3.42Å; Q101-L105 PolarHBondContact O-N 3.01Å
102E86.6Confident83.7Confident132 Ų13292.4 Ų92.462%0.61748%0.48SS*.Hα-helixtrans-61.3-48.7176.8-69.3-175169.300111.4I98 L100 L104 L105 E106I98-E102 PolarHBondContact O-N 3.43Å; L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 3.38Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.37Å; E102-L105 PolarHBondContact O-N 2.82Å; E102-E106 PolarHBondContact O-N 2.83Å; E102-E106 VanDerWaalsContact O-N 3.08Å
103E87.6Confident84.4Confident118 Ų11890.2 Ų90.255%0.55147%0.468SS*.Hα-helixtrans-61.1-41.9177.3-67-175.9-155.500111.9L100 E106 L107L100-E103 PolarHBondContact O-N 3.13Å; E103-E106 PolarHBondContact O-N 3.12Å; E103-L107 VanDerWaalsContact O-CG 3.27Å; E103-L107 WeakPolarHBondContact O-CG 3.14Å; E103-L107 PolarHBondContact O-N 3.42Å
104L87.6Confident85Confident32 Ų3295 Ų9517%0.16849%0.488CS..Hα-helixtrans-65.7-38.6177.8-74.8172.2000112.2L90 E96 L100 Q101 E102 L107 Q108L90-L104 HydrophobicContact CD2-CD2 4.21Å; E96-L104 HydrophobicContact CB-CD1 4.26Å; E96-L104 HydrophobicContact CG-CD1 3.84Å; L100-L104 WeakPolarHBondContact O-CB 3.25Å; L100-L104 VanDerWaalsContact O-CG 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.37Å; L100-L104 PolarHBondContact O-N 2.86Å; Q101-L104 PolarHBondContact O-N 3.11Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.37Å; L104-L107 PolarHBondContact O-N 3.02Å; L104-Q108 VanDerWaalsContact O-CB 3.31Å; L104-Q108 WeakPolarHBondContact O-CB 3.07Å; L104-Q108 WeakPolarHBondContact O-CG 2.84Å; L104-Q108 PolarHBondContact O-N 3.27Å
105L86.4Confident85.3Confident96 Ų9690.6 Ų90.650%0.50347%0.47SS..Hα-helixtrans-63.3-42.2175-74.9168.5000111.5Q101 E102 Q108 S109Q101-L105 WeakPolarHBondContact O-CB 2.92Å; Q101-L105 VanDerWaalsContact O-CG 3.24Å; Q101-L105 WeakPolarHBondContact O-CG 3.42Å; Q101-L105 PolarHBondContact O-N 3.01Å; E102-L105 PolarHBondContact O-N 2.82Å; L105-Q108 PolarHBondContact O-N 2.89Å; L105-S109 PolarHBondContact O-N 3.14Å; L105-S109 VanDerWaalsContact O-N 3.1Å
106E87.3Confident85.3Confident144 Ų14488.2 Ų88.267%0.67345%0.45SS*.Hα-helixtrans-62.3-46.8174.2-70.5-172.1175.300111.4E102 E103 Q108 S109 N110E102-E106 PolarHBondContact O-N 2.83Å; E102-E106 VanDerWaalsContact O-N 3.08Å; E103-E106 PolarHBondContact O-N 3.12Å; E106-Q108 PolarHBondContact O-N 2.98Å; E106-S109 WeakPolarHBondContact O-CB 2.98Å; E106-S109 PolarHBondContact O-N 3.36Å; E106-S109 VanDerWaalsContact O-N 3.08Å; E106-S109 PolarHBondContact O-OG 3.08Å; E106-N110 PolarHBondContact O-N 3.32Å
107L88Confident85.1Confident72 Ų7284.6 Ų84.638%0.37743%0.434SS..Hα-helixtrans-64.5-37.5177.9-68.7172000112.5L90 E103 L104 S109 N110 L113L90-L107 HydrophobicContact CD2-CB 3.98Å; E103-L107 VanDerWaalsContact O-CG 3.27Å; E103-L107 WeakPolarHBondContact O-CG 3.14Å; E103-L107 PolarHBondContact O-N 3.42Å; L104-L107 PolarHBondContact O-N 3.02Å; L107-S109 PolarHBondContact O-N 3.04Å; L107-N110 VanDerWaalsContact O-CB 3.3Å; L107-N110 WeakPolarHBondContact O-CB 3.5Å; L107-N110 PolarHBondContact O-N 3.08Å; L107-N110 VanDerWaalsContact O-N 3.08Å; L107-L113 HydrophobicContact CD2-CD1 3.47Å; L107-L113 VanDerWaalsContact CD2-CD1 3.47Å
108Q85.1Confident84.6Confident41 Ų4182.8 Ų82.819%0.19244%0.437CS..Hα-helixtrans-62.4-31.4172.7-79.6172.65.700112.1L90 L104 L105 E106 N110 K114L90-Q108 HydrophobicContact CB-CG 3.93Å; L90-Q108 WeakPolarHBondContact O-CG 3.3Å; L90-Q108 PolarHBondContact O-NE2 3.31Å; L104-Q108 VanDerWaalsContact O-CB 3.31Å; L104-Q108 WeakPolarHBondContact O-CB 3.07Å; L104-Q108 WeakPolarHBondContact O-CG 2.84Å; L104-Q108 PolarHBondContact O-N 3.27Å; L105-Q108 PolarHBondContact O-N 2.89Å; E106-Q108 PolarHBondContact O-N 2.98Å; Q108-N110 VanDerWaalsContact C-N 3.26Å; Q108-N110 PolarHBondContact O-N 3.49Å; Q108-K114 WeakPolarHBondContact O-CD 3.46Å; Q108-K114 WeakPolarHBondContact O-CE 3.27Å; Q108-K114 PolarHBondContact O-NZ 3.12Å
109S85.2Confident83.9Confident90 Ų9083.8 Ų83.863%0.62944%0.438SS*.Hα-helixtrans-75.6-15.7175.681.40000113.2L105 E106 L107 V111L105-S109 PolarHBondContact O-N 3.14Å; L105-S109 VanDerWaalsContact O-N 3.1Å; E106-S109 WeakPolarHBondContact O-CB 2.98Å; E106-S109 PolarHBondContact O-N 3.36Å; E106-S109 VanDerWaalsContact O-N 3.08Å; E106-S109 PolarHBondContact O-OG 3.08Å; L107-S109 PolarHBondContact O-N 3.04Å; S109-V111 PolarHBondContact O-N 3.46Å; S109-V111 VanDerWaalsContact O-N 3.14Å
110N88.3Confident82.9Confident62 Ų6282.4 Ų82.433%0.33243%0.433SS..  trans-76.8102.9-177.9-170-38.3000111.9E106 L107 Q108 E112 L113 K114E106-N110 PolarHBondContact O-N 3.32Å; L107-N110 VanDerWaalsContact O-CB 3.3Å; L107-N110 WeakPolarHBondContact O-CB 3.5Å; L107-N110 PolarHBondContact O-N 3.08Å; L107-N110 VanDerWaalsContact O-N 3.08Å; Q108-N110 VanDerWaalsContact C-N 3.26Å; Q108-N110 PolarHBondContact O-N 3.49Å; N110-E112 VanDerWaalsContact C-N 3.33Å; N110-E112 PolarHBondContact O-N 2.95Å; N110-E112 WeakPolarHBondContact OD1-CB 3.33Å; N110-E112 PolarHBondContact OD1-N 3.32Å; N110-E112 VanDerWaalsContact OD1-N 3.08Å; N110-L113 HydrophobicContact CB-CB 4.02Å; N110-L113 HydrophobicContact CB-CD1 3.83Å; N110-L113 HydrophobicContact CB-CG 4.04Å; N110-L113 VanDerWaalsContact CG-CG 3.48Å; N110-L113 WeakPolarHBondContact ND2-CD1 3.49Å; N110-L113 PolarHBondContact O-N 2.74Å; N110-L113 PolarHBondContact OD1-N 3.14Å; N110-K114 PolarHBondContact O-N 2.69Å
111V86.8Confident81.9Confident115 Ų11581.3 Ų81.370%0.69743%0.428SS*.Hα-helixtrans-63.3-37.3-178.6-179.80000112.3S109 K114 A115S109-V111 PolarHBondContact O-N 3.46Å; S109-V111 VanDerWaalsContact O-N 3.14Å; V111-K114 PolarHBondContact O-N 3.35Å; V111-A115 WeakPolarHBondContact O-CB 3.21Å; V111-A115 PolarHBondContact O-N 3.06Å
112E85.9Confident80.7Confident135 Ų13582.5 Ų82.563%0.63143%0.433SS*.Hα-helixtrans-65.5-44.9178.8-174.1-176.4164.300110.8N110 A115 R116N110-E112 VanDerWaalsContact C-N 3.33Å; N110-E112 PolarHBondContact O-N 2.95Å; N110-E112 WeakPolarHBondContact OD1-CB 3.33Å; N110-E112 PolarHBondContact OD1-N 3.32Å; N110-E112 VanDerWaalsContact OD1-N 3.08Å; E112-A115 PolarHBondContact O-N 3.49Å; E112-R116 WeakPolarHBondContact O-CG 3.31Å; E112-R116 PolarHBondContact O-N 3.2Å
113L82.8Confident79.7Confident35 Ų3582.5 Ų82.518%0.18343%0.433CS..Hα-helixtrans-63-44.2175.8-69.8179.2000111.7L107 N110 A115 R116 L117L107-L113 HydrophobicContact CD2-CD1 3.47Å; L107-L113 VanDerWaalsContact CD2-CD1 3.47Å; N110-L113 HydrophobicContact CB-CB 4.02Å; N110-L113 HydrophobicContact CB-CD1 3.83Å; N110-L113 HydrophobicContact CB-CG 4.04Å; N110-L113 VanDerWaalsContact CG-CG 3.48Å; N110-L113 WeakPolarHBondContact ND2-CD1 3.49Å; N110-L113 PolarHBondContact O-N 2.74Å; N110-L113 PolarHBondContact OD1-N 3.14Å; L113-A115 VanDerWaalsContact C-N 3.29Å; L113-A115 PolarHBondContact O-N 2.99Å; L113-R116 PolarHBondContact O-N 2.94Å; L113-R116 VanDerWaalsContact O-N 3.12Å; L113-L117 WeakPolarHBondContact O-CG 3.09Å; L113-L117 PolarHBondContact O-N 3.35Å
114K81.9Confident78.7Confident110 Ų11078.9 Ų78.948%0.47842%0.416SS..Hα-helixtrans-57.4-41.4173.9-83.6179.6161.6165.70112.4Q108 N110 V111 S118Q108-K114 WeakPolarHBondContact O-CD 3.46Å; Q108-K114 WeakPolarHBondContact O-CE 3.27Å; Q108-K114 PolarHBondContact O-NZ 3.12Å; N110-K114 PolarHBondContact O-N 2.69Å; V111-K114 PolarHBondContact O-N 3.35Å; K114-S118 WeakPolarHBondContact O-CB 3.3Å; K114-S118 PolarHBondContact O-N 3.08Å; K114-S118 PolarHBondContact O-OG 3.08Å
115A81.9Confident77.7Confident41 Ų4181.1 Ų81.134%0.33942%0.422SS..Hα-helixtrans-66.4-38.2176.500000112.1V111 E112 L113 S118 Q119V111-A115 WeakPolarHBondContact O-CB 3.21Å; V111-A115 PolarHBondContact O-N 3.06Å; E112-A115 PolarHBondContact O-N 3.49Å; L113-A115 VanDerWaalsContact C-N 3.29Å; L113-A115 PolarHBondContact O-N 2.99Å; A115-S118 WeakPolarHBondContact CA-OG 3.37Å; A115-S118 PolarHBondContact O-OG 3.45Å; A115-Q119 VanDerWaalsContact O-CG 3.28Å; A115-Q119 WeakPolarHBondContact O-CG 3.34Å; A115-Q119 PolarHBondContact O-N 2.8Å; A115-Q119 VanDerWaalsContact O-N 3.17Å
116R78.8Confident76.7Confident92 Ų9281.4 Ų81.435%0.34742%0.423SS..Hα-helixtrans-69.3-39.2176.5-71.3176.266.7-166.5-2.3112.4E112 L113 Q127E112-R116 WeakPolarHBondContact O-CG 3.31Å; E112-R116 PolarHBondContact O-N 3.2Å; L113-R116 PolarHBondContact O-N 2.94Å; L113-R116 VanDerWaalsContact O-N 3.12Å; R116-Q127 VanDerWaalsContact NH2-CD 3.3Å
117L76.3Confident75.7Confident15 Ų1577.1 Ų77.18%0.07940%0.403CS..Hα-helixtrans-66.3-41.6174.7-72.5168.6000111.4P89 L90 L113 Q119 G120 N121 F124P89-L117 HydrophobicContact CG-CD1 4.12Å; P89-L117 HydrophobicContact CG-CD2 3.75Å; L90-L117 HydrophobicContact CD1-CD1 3.42Å; L90-L117 VanDerWaalsContact CD1-CD1 3.42Å; L90-L117 HydrophobicContact CG-CD1 3.86Å; L113-L117 WeakPolarHBondContact O-CG 3.09Å; L113-L117 PolarHBondContact O-N 3.35Å; L117-Q119 VanDerWaalsContact C-N 3.29Å; L117-Q119 PolarHBondContact O-N 3.43Å; L117-G120 CarbonylContact O-C 3.6Å; L117-G120 PolarHBondContact O-N 3.38Å; L117-N121 PolarHBondContact O-N 2.72Å; L117-N121 PolarHBondContact O-OD1 2.66Å; L117-F124 HydrophobicContact CD2-CB 3.92Å; L117-F124 HydrophobicContact CD2-CD1 3.66Å; L117-F124 HydrophobicContact CD2-CD2 3.65Å; L117-F124 HydrophobicContact CD2-CE1 4.04Å; L117-F124 HydrophobicContact CD2-CE2 4.03Å; L117-F124 HydrophobicContact CD2-CG 3.45Å; L117-F124 VanDerWaalsContact CD2-CG 3.45Å; L117-F124 HydrophobicContact CD2-CZ 4.21Å; L117-F124 HydrophobicContact CG-CD2 4.29Å
118S74.8Confident74.5Confident101 Ų10182.2 Ų82.271%0.70642%0.423SS*.Hα-helixtrans-70.6-21.9-18070.40000114.2K114 A115 G120K114-S118 WeakPolarHBondContact O-CB 3.3Å; K114-S118 PolarHBondContact O-N 3.08Å; K114-S118 PolarHBondContact O-OG 3.08Å; A115-S118 WeakPolarHBondContact CA-OG 3.37Å; A115-S118 PolarHBondContact O-OG 3.45Å; S118-G120 PolarHBondContact O-N 3.36Å; S118-G120 VanDerWaalsContact O-N 3.12Å
119Q71.8Confident73.6Confident149 Ų14987.4 Ų87.470%0.69645%0.447SS*.THydrogen-bonded Turntrans-66.4-4.4169-75171.220.100113.3A115 L117A115-Q119 VanDerWaalsContact O-CG 3.28Å; A115-Q119 WeakPolarHBondContact O-CG 3.34Å; A115-Q119 PolarHBondContact O-N 2.8Å; A115-Q119 VanDerWaalsContact O-N 3.17Å; L117-Q119 VanDerWaalsContact C-N 3.29Å; L117-Q119 PolarHBondContact O-N 3.43Å
120G65.2Low72.5Confident27 Ų2784.7 Ų84.728%0.27843%0.426SS..  trans121.7120.3173.800000109.8L117 S118 Q122 Q123 F124L117-G120 CarbonylContact O-C 3.6Å; L117-G120 PolarHBondContact O-N 3.38Å; S118-G120 PolarHBondContact O-N 3.36Å; S118-G120 VanDerWaalsContact O-N 3.12Å; G120-Q122 PolarHBondContact O-N 2.94Å; G120-Q123 PolarHBondContact O-N 3.5Å; G120-F124 PolarHBondContact O-N 3.1Å
121N63.9Low71.2Confident49 Ų4985.9 Ų85.926%0.26243%0.432SS..Hα-helixtrans-51-29.7177.5-55-27.2000112.4I87 L117 Q123 F124 W125I87-N121 PolarHBondContact O-ND2 3.5Å; L117-N121 PolarHBondContact O-N 2.72Å; L117-N121 PolarHBondContact O-OD1 2.66Å; N121-Q123 PolarHBondContact O-N 3.06Å; N121-F124 WeakPolarHBondContact O-CB 3.42Å; N121-F124 PolarHBondContact O-N 3.15Å; N121-F124 VanDerWaalsContact O-N 3.13Å; N121-W125 PolarHBondContact O-N 3.37Å
122Q61.7Low70.2Confident77 Ų7785 Ų8536%0.3643%0.427SS..Hα-helixtrans-58.7-44.6175.2-59.9-167.5-46.700112.5D9 G120 F124 L126D9-Q122 WeakPolarHBondContact OD2-CG 3.37Å; D9-Q122 PolarHBondContact OD2-NE2 3.12Å; G120-Q122 PolarHBondContact O-N 2.94Å; Q122-F124 PolarHBondContact O-N 3.45Å; Q122-L126 WeakPolarHBondContact O-CB 3.42Å; Q122-L126 WeakPolarHBondContact O-CD1 3.25Å; Q122-L126 WeakPolarHBondContact O-CG 3.27Å; Q122-L126 PolarHBondContact O-N 3.38Å
123Q66.2Low69.1Low132 Ų13283.4 Ų83.462%0.61742%0.422SS*.Hα-helixtrans-68.9-26.7177.7-66.8-65-20.500111.9G120 N121 Q127G120-Q123 PolarHBondContact O-N 3.5Å; N121-Q123 PolarHBondContact O-N 3.06Å; Q123-Q127 PolarHBondContact O-NE2 2.85Å
124F66.4Low68Low41 Ų4187.8 Ų87.818%0.1844%0.441CS..Hα-helixtrans-72.5-54.3174.1-176.8-96.6000111.4L117 G120 N121 Q122 L126 Q127L117-F124 HydrophobicContact CD2-CB 3.92Å; L117-F124 HydrophobicContact CD2-CD1 3.66Å; L117-F124 HydrophobicContact CD2-CD2 3.65Å; L117-F124 HydrophobicContact CD2-CE1 4.04Å; L117-F124 HydrophobicContact CD2-CE2 4.03Å; L117-F124 HydrophobicContact CD2-CG 3.45Å; L117-F124 VanDerWaalsContact CD2-CG 3.45Å; L117-F124 HydrophobicContact CD2-CZ 4.21Å; L117-F124 HydrophobicContact CG-CD2 4.29Å; G120-F124 PolarHBondContact O-N 3.1Å; N121-F124 WeakPolarHBondContact O-CB 3.42Å; N121-F124 PolarHBondContact O-N 3.15Å; N121-F124 VanDerWaalsContact O-N 3.13Å; Q122-F124 PolarHBondContact O-N 3.45Å; F124-L126 PolarHBondContact O-N 3.42Å; F124-Q127 WeakPolarHBondContact O-CB 3.33Å; F124-Q127 WeakPolarHBondContact O-CG 3.24Å; F124-Q127 PolarHBondContact O-N 2.98Å
125W67Low67Low80 Ų8089.3 Ų89.330%0.30345%0.454SS..Hα-helixtrans-69.8-27.2-177-63.7122.7000113.9W85 G86 P89 N121 Q127 V130W85-W125 AromaticContact CE3-CH2 3.83Å; W85-W125 HydrophobicContact CE3-CH2 3.83Å; W85-W125 AromaticContact CE3-CZ2 3.96Å; W85-W125 HydrophobicContact CE3-CZ2 3.96Å; W85-W125 AromaticContact CZ3-CH2 3.56Å; W85-W125 HydrophobicContact CZ3-CH2 3.56Å; W85-W125 AromaticContact CZ3-CZ2 3.89Å; W85-W125 HydrophobicContact CZ3-CZ2 3.89Å; W85-W125 HydrophobicContact CZ3-CZ3 4.09Å; G86-W125 PolarHBondContact O-NE1 3.01Å; G86-W125 VanDerWaalsContact O-NE1 3.12Å; P89-W125 HydrophobicContact CB-CH2 4.4Å; P89-W125 HydrophobicContact CB-CZ2 4.12Å; P89-W125 HydrophobicContact CG-CZ2 4.15Å; N121-W125 PolarHBondContact O-N 3.37Å; W125-Q127 PolarHBondContact O-N 3.42Å; W125-V130 HydrophobicContact CE3-CG1 3.58Å; W125-V130 HydrophobicContact CZ3-CG1 3.93Å
126L66.1Low66.2Low102 Ų10290.8 Ų90.853%0.53447%0.466SS..THydrogen-bonded Turntrans-78.72.6177.5-68.3171.9000114Q122 F124 K128Q122-L126 WeakPolarHBondContact O-CB 3.42Å; Q122-L126 WeakPolarHBondContact O-CD1 3.25Å; Q122-L126 WeakPolarHBondContact O-CG 3.27Å; Q122-L126 PolarHBondContact O-N 3.38Å; F124-L126 PolarHBondContact O-N 3.42Å; L126-K128 PolarHBondContact O-N 3.07Å
127Q66.5Low65.3Low53 Ų5394.9 Ų94.925%0.24848%0.483CS..SBendtrans-65.1130.5172.7-71.2169.931.300109.7R116 Q123 F124 W125 E129 V130 L131R116-Q127 VanDerWaalsContact NH2-CD 3.3Å; Q123-Q127 PolarHBondContact O-NE2 2.85Å; F124-Q127 WeakPolarHBondContact O-CB 3.33Å; F124-Q127 WeakPolarHBondContact O-CG 3.24Å; F124-Q127 PolarHBondContact O-N 2.98Å; W125-Q127 PolarHBondContact O-N 3.42Å; Q127-E129 PolarHBondContact O-N 3.44Å; Q127-E129 VanDerWaalsContact O-N 3.08Å; Q127-V130 HydrophobicContact CB-CG2 4.08Å; Q127-V130 PolarHBondContact O-N 3.26Å; Q127-L131 PolarHBondContact O-N 3.39Å
128K63Low64Low180 Ų18096.7 Ų96.778%0.78351%0.505SS*.Hα-helixtrans-51.3-37.5-177.7-76.4-174.4176.1-178.60112.8L126 L131 V132L126-K128 PolarHBondContact O-N 3.07Å; K128-L131 PolarHBondContact O-N 3.33Å; K128-V132 VanDerWaalsContact O-CG2 3.3Å; K128-V132 WeakPolarHBondContact O-CG2 3.46Å; K128-V132 PolarHBondContact O-N 3.35Å; K128-V132 VanDerWaalsContact O-N 3.12Å
129E64.9Low62.3Low150 Ų15096.2 Ų96.270%0.70151%0.507SS*.Hα-helixtrans-66.1-39.8-179-68.3167.5-17300111.8Q127 V132 L133Q127-E129 PolarHBondContact O-N 3.44Å; Q127-E129 VanDerWaalsContact O-N 3.08Å; E129-V132 PolarHBondContact O-N 3.3Å; E129-L133 WeakPolarHBondContact O-CG 3.38Å; E129-L133 PolarHBondContact O-N 3.08Å; E129-L133 VanDerWaalsContact O-N 3.12Å
130V63.3Low60.7Low32 Ų32104.1 Ų104.119%0.19453%0.531CS..Hα-helixtrans-69.5-40.5178.8-178.40000111.1W125 Q127 V132 L133 H134W125-V130 HydrophobicContact CE3-CG1 3.58Å; W125-V130 HydrophobicContact CZ3-CG1 3.93Å; Q127-V130 HydrophobicContact CB-CG2 4.08Å; Q127-V130 PolarHBondContact O-N 3.26Å; V130-V132 VanDerWaalsContact C-N 3.34Å; V130-V132 PolarHBondContact O-N 3.03Å; V130-L133 PolarHBondContact O-N 2.93Å; V130-H134 WeakPolarHBondContact O-CB 3.23Å; V130-H134 PolarHBondContact O-N 3.22Å
131L60.7Low60.4Low87 Ų87108 Ų10846%0.45554%0.544SS..Hα-helixtrans-61.2-40.2174.3-80.7158.7000112.5Q127 K128 H134 L135Q127-L131 PolarHBondContact O-N 3.39Å; K128-L131 PolarHBondContact O-N 3.33Å; L131-H134 PolarHBondContact O-N 3.02Å; L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 3.28Å
132V65.9Low60.2Low97 Ų97111.1 Ų111.159%0.58856%0.558SS**Hα-helixtrans-65.9-43.6177.7170.30000111.1K128 E129 V130 L135 A136K128-V132 VanDerWaalsContact O-CG2 3.3Å; K128-V132 WeakPolarHBondContact O-CG2 3.46Å; K128-V132 PolarHBondContact O-N 3.35Å; K128-V132 VanDerWaalsContact O-N 3.12Å; E129-V132 PolarHBondContact O-N 3.3Å; V130-V132 VanDerWaalsContact C-N 3.34Å; V130-V132 PolarHBondContact O-N 3.03Å; V132-L135 PolarHBondContact O-N 3.48Å; V132-A136 WeakPolarHBondContact O-CB 3.4Å; V132-A136 PolarHBondContact O-N 2.79Å
133L61.8Low60.2Low102 Ų102112.9 Ų112.953%0.53457%0.569SS.*Hα-helixtrans-64.5-44176.7-68171.8000111.4E129 V130 L135 A136 Y137E129-L133 WeakPolarHBondContact O-CG 3.38Å; E129-L133 PolarHBondContact O-N 3.08Å; E129-L133 VanDerWaalsContact O-N 3.12Å; V130-L133 PolarHBondContact O-N 2.93Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 3.4Å; L133-A136 PolarHBondContact O-N 3.26Å; L133-A136 VanDerWaalsContact O-N 3.15Å; L133-Y137 HydrophobicContact CD2-CE2 4.07Å; L133-Y137 VanDerWaalsContact O-CD2 3.27Å; L133-Y137 WeakPolarHBondContact O-CD2 3.39Å; L133-Y137 PolarHBondContact O-N 2.98Å
134H59.3Low59.8Low126 Ų126111.8 Ų111.858%0.58357%0.567SS**Hα-helixtrans-60.3-41.7177.5-172.2-72.1000112.3V130 L131 A136 G138V130-H134 WeakPolarHBondContact O-CB 3.23Å; V130-H134 PolarHBondContact O-N 3.22Å; L131-H134 PolarHBondContact O-N 3.02Å; H134-A136 VanDerWaalsContact C-N 3.34Å; H134-G138 WeakPolarHBondContact O-CA 3.47Å; H134-G138 PolarHBondContact O-N 2.85Å
135L61.5Low59.4Low142 Ų142116.3 Ų116.374%0.74359%0.591SS**Hα-helixtrans-70.3-29.3177.2-71.1170.7000113L131 V132 L133L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 3.28Å; V132-L135 PolarHBondContact O-N 3.48Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 3.4Å
136A65.6Low58.9Low73 Ų73118.7 Ų118.760%0.60361%0.61SS**Hα-helixtrans-75.5-31.5178.200000113.1V132 L133 H134V132-A136 WeakPolarHBondContact O-CB 3.4Å; V132-A136 PolarHBondContact O-N 2.79Å; L133-A136 PolarHBondContact O-N 3.26Å; L133-A136 VanDerWaalsContact O-N 3.15Å; H134-A136 VanDerWaalsContact C-N 3.34Å
137Y59.3Low58.4Low178 Ų178119.9 Ų119.970%0.69862%0.615SS**Hα-helixtrans-109.2-8.9-174.1-68.7-78.9000114.9L133L133-Y137 HydrophobicContact CD2-CE2 4.07Å; L133-Y137 VanDerWaalsContact O-CD2 3.27Å; L133-Y137 WeakPolarHBondContact O-CD2 3.39Å; L133-Y137 PolarHBondContact O-N 2.98Å
138G49.2Very low57.7Low52 Ų52125 Ų12554%0.53664%0.644SS.*  trans-98.428.5-168.400000118.1H134H134-G138 WeakPolarHBondContact O-CA 3.47Å; H134-G138 PolarHBondContact O-N 2.85Å
139A38.8Very low57.3Low92 Ų92120.4 Ų120.476%0.7663%0.632SS**  trans-101.978.1171.200000110.9
140W37.5Very low56.6Low314 Ų314117.7 Ų117.7100%1.18963%0.626SS**  trans-129.50163.6-67.2101000109.5

Retrieved 140 of 140 residues in 39.1 ms (Link to these results)