A0A5K4F4Y0_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F4Y0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 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
1M48.3Very low63.2Low200 Ų200110.9 Ų110.999%0.98556%0.555SS**  0-46.40-157.3163.711700111.9T3M1-T3 PolarHBondContact O-N 3.2Å
2A54.6Low64.2Low53 Ų53109.2 Ų109.244%0.43854%0.542SS..Hα-helixtrans-65.5-29.7-178.800000115.5N4 V5 Y6A2-N4 VanDerWaalsContact C-N 3.3Å; A2-N4 PolarHBondContact O-N 3.34Å; A2-V5 PolarHBondContact O-N 3.4Å; A2-V5 VanDerWaalsContact O-N 3.11Å; A2-Y6 HydrophobicContact CB-CD2 4.15Å; A2-Y6 HydrophobicContact CB-CE2 3.67Å; A2-Y6 WeakPolarHBondContact O-CD2 3.47Å; A2-Y6 PolarHBondContact O-N 2.9Å; A2-Y6 VanDerWaalsContact O-N 3.11Å
3T56.3Low65.3Low109 Ų109105.9 Ų105.967%0.66953%0.527SS*.Hα-helixtrans-57.5-37.3-175.7-35.50000113.9M1 R7M1-T3 PolarHBondContact O-N 3.2Å; T3-R7 WeakPolarHBondContact O-CB 3.48Å; T3-R7 PolarHBondContact O-N 3.04Å; T3-R7 VanDerWaalsContact O-N 3.12Å
4N53.7Low66.4Low101 Ų101106.9 Ų106.954%0.5453%0.527SS..Hα-helixtrans-75.7-31.7-179.5-68.1-1000112.3A2 R7 S8A2-N4 VanDerWaalsContact C-N 3.3Å; A2-N4 PolarHBondContact O-N 3.34Å; N4-R7 PolarHBondContact O-N 3.21Å; N4-S8 PolarHBondContact O-N 3.49Å; N4-S8 PolarHBondContact O-OG 3.17Å
5V56.1Low67.2Low82 Ų82105 Ų10550%0.49751%0.514SS..Hα-helixtrans-68.1-47.1176.6-177.90000109.7A2 R7 S8 V9A2-V5 PolarHBondContact O-N 3.4Å; A2-V5 VanDerWaalsContact O-N 3.11Å; V5-R7 VanDerWaalsContact C-N 3.3Å; V5-R7 PolarHBondContact O-N 3.05Å; V5-S8 PolarHBondContact O-N 3.02Å; V5-S8 PolarHBondContact O-OG 3.11Å; V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.46Å; V5-V9 PolarHBondContact O-N 3.42Å
6Y70.2Confident67.8Low144 Ų144103.3 Ų103.357%0.56551%0.508SS*.Hα-helixtrans-61.4-41.7176.2-65.9-61.1000111.3A2 S8 V9 Y10A2-Y6 HydrophobicContact CB-CD2 4.15Å; A2-Y6 HydrophobicContact CB-CE2 3.67Å; A2-Y6 WeakPolarHBondContact O-CD2 3.47Å; A2-Y6 PolarHBondContact O-N 2.9Å; A2-Y6 VanDerWaalsContact O-N 3.11Å; Y6-S8 PolarHBondContact O-N 3.29Å; Y6-V9 PolarHBondContact O-N 2.89Å; Y6-Y10 WeakPolarHBondContact O-CB 3.38Å; Y6-Y10 WeakPolarHBondContact O-CD2 3.2Å; Y6-Y10 PolarHBondContact O-N 3.41Å
7R62.2Low68.3Low180 Ų180107.5 Ų107.568%0.67952%0.517SS*.Hα-helixtrans-62.2-40.7179.2-167.5171.5-174.5157.31.6112.8T3 N4 V5 Y10 L11T3-R7 WeakPolarHBondContact O-CB 3.48Å; T3-R7 PolarHBondContact O-N 3.04Å; T3-R7 VanDerWaalsContact O-N 3.12Å; N4-R7 PolarHBondContact O-N 3.21Å; V5-R7 VanDerWaalsContact C-N 3.3Å; V5-R7 PolarHBondContact O-N 3.05Å; R7-Y10 PolarHBondContact O-N 2.99Å; R7-L11 HydrophobicContact CG-CD1 4.31Å; R7-L11 WeakPolarHBondContact O-CB 3.48Å; R7-L11 VanDerWaalsContact O-CG 3.3Å; R7-L11 WeakPolarHBondContact O-CG 3.3Å; R7-L11 PolarHBondContact O-N 2.92Å
8S67.8Low68.7Low30 Ų30105.6 Ų105.621%0.2151%0.51CS..Hα-helixtrans-69.9-37.2177.264.30000112.4N4 V5 Y6 L11 F12N4-S8 PolarHBondContact O-N 3.49Å; N4-S8 PolarHBondContact O-OG 3.17Å; V5-S8 PolarHBondContact O-N 3.02Å; V5-S8 PolarHBondContact O-OG 3.11Å; Y6-S8 PolarHBondContact O-N 3.29Å; S8-L11 PolarHBondContact O-N 2.94Å; S8-F12 WeakPolarHBondContact O-CB 3.4Å; S8-F12 PolarHBondContact O-N 2.92Å
9V73.8Confident68.7Low72 Ų72102.4 Ų102.444%0.43649%0.493SS..Hα-helixtrans-63.2-45.6173.1173.40000111V5 Y6 F12 I13V5-V9 VanDerWaalsContact O-CG2 3.29Å; V5-V9 WeakPolarHBondContact O-CG2 3.46Å; V5-V9 PolarHBondContact O-N 3.42Å; Y6-V9 PolarHBondContact O-N 2.89Å; V9-F12 WeakPolarHBondContact O-CB 3.48Å; V9-F12 PolarHBondContact O-N 2.92Å; V9-I13 HydrophobicContact CG1-CD1 3.85Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 3.26Å
10Y75.9Confident68.6Low164 Ų164100.3 Ų100.364%0.64349%0.489SS*.Hα-helixtrans-63.4-41.8177.1-80.6-64.2000112.5Y6 R7 F12 I13 F14Y6-Y10 WeakPolarHBondContact O-CB 3.38Å; Y6-Y10 WeakPolarHBondContact O-CD2 3.2Å; Y6-Y10 PolarHBondContact O-N 3.41Å; R7-Y10 PolarHBondContact O-N 2.99Å; Y10-F12 VanDerWaalsContact C-N 3.33Å; Y10-I13 PolarHBondContact O-N 3.25Å; Y10-F14 WeakPolarHBondContact O-CB 3.38Å; Y10-F14 PolarHBondContact O-N 2.8Å
11L76.7Confident68.5Low85 Ų8599 Ų9945%0.44549%0.487SS..Hα-helixtrans-62-43.1174.7-75.7168.1000111.1R7 S8 F14 F15R7-L11 HydrophobicContact CG-CD1 4.31Å; R7-L11 WeakPolarHBondContact O-CB 3.48Å; R7-L11 VanDerWaalsContact O-CG 3.3Å; R7-L11 WeakPolarHBondContact O-CG 3.3Å; R7-L11 PolarHBondContact O-N 2.92Å; S8-L11 PolarHBondContact O-N 2.94Å; L11-F14 PolarHBondContact O-N 3.27Å; L11-F15 HydrophobicContact CD2-CE2 4.35Å; L11-F15 WeakPolarHBondContact O-CD2 3.15Å; L11-F15 PolarHBondContact O-N 3.4Å
12F75.6Confident69.2Low90 Ų9093.7 Ų93.740%0.39546%0.463SS..Hα-helixtrans-58.7-51.2176177-96.2000111.8S8 V9 Y10 F14 F15 D16S8-F12 WeakPolarHBondContact O-CB 3.4Å; S8-F12 PolarHBondContact O-N 2.92Å; V9-F12 WeakPolarHBondContact O-CB 3.48Å; V9-F12 PolarHBondContact O-N 2.92Å; Y10-F12 VanDerWaalsContact C-N 3.33Å; F12-F14 VanDerWaalsContact C-N 3.3Å; F12-F14 PolarHBondContact O-N 2.59Å; F12-F15 PolarHBondContact O-N 2.97Å; F12-D16 WeakPolarHBondContact O-CB 3.39Å; F12-D16 PolarHBondContact O-N 2.68Å
13I78.3Confident69.5Low67 Ų6793.7 Ų93.734%0.34446%0.455SS..Hα-helixtrans-61.3-39.5179.1-65.2166.6000111.4V9 Y10 R17V9-I13 HydrophobicContact CG1-CD1 3.85Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 3.26Å; Y10-I13 PolarHBondContact O-N 3.25Å; I13-R17 WeakPolarHBondContact O-CG 3.47Å; I13-R17 PolarHBondContact O-N 3.48Å
14F80.7Confident69.8Low120 Ų12093.6 Ų93.653%0.52645%0.45SS..Hα-helixtrans-60.3-49.8176.8171.5-95.4000111.4Y10 L11 F12 R17 L18Y10-F14 WeakPolarHBondContact O-CB 3.38Å; Y10-F14 PolarHBondContact O-N 2.8Å; L11-F14 PolarHBondContact O-N 3.27Å; F12-F14 VanDerWaalsContact C-N 3.3Å; F12-F14 PolarHBondContact O-N 2.59Å; F14-R17 PolarHBondContact O-N 3.28Å; F14-L18 HydrophobicContact CE1-CD2 4.14Å; F14-L18 HydrophobicContact CZ-CD2 4.44Å; F14-L18 WeakPolarHBondContact O-CB 3.19Å; F14-L18 PolarHBondContact O-N 3.12Å
15F77.6Confident69.9Low78 Ų7895.3 Ų95.334%0.34246%0.455SS..Hα-helixtrans-67.3-40.2179.4-77.3-64.1000112.3L11 F12 R17 L18 F19L11-F15 HydrophobicContact CD2-CE2 4.35Å; L11-F15 WeakPolarHBondContact O-CD2 3.15Å; L11-F15 PolarHBondContact O-N 3.4Å; F12-F15 PolarHBondContact O-N 2.97Å; F15-R17 VanDerWaalsContact C-N 3.33Å; F15-R17 PolarHBondContact O-N 2.79Å; F15-L18 HydrophobicContact CD1-CD2 4.24Å; F15-L18 PolarHBondContact O-N 3.4Å; F15-F19 HydrophobicContact CB-CD2 4.23Å; F15-F19 HydrophobicContact CB-CE2 3.93Å; F15-F19 AromaticContact CD1-CE2 3.96Å; F15-F19 HydrophobicContact CD1-CE2 3.96Å; F15-F19 HydrophobicContact CD1-CZ 4.29Å; F15-F19 HydrophobicContact CG-CE2 4.33Å; F15-F19 WeakPolarHBondContact O-CD2 3.39Å; F15-F19 WeakPolarHBondContact O-CG 3.48Å; F15-F19 PolarHBondContact O-N 3.29Å
16D77.8Confident69.9Low77 Ų7793.2 Ų93.241%0.41245%0.447SS..Hα-helixtrans-56-47.2175.7-170.369.1000111.6F12 S20F12-D16 WeakPolarHBondContact O-CB 3.39Å; F12-D16 PolarHBondContact O-N 2.68Å; D16-S20 WeakPolarHBondContact O-CB 3.44Å; D16-S20 PolarHBondContact O-N 2.88Å
17R75Confident69.2Low176 Ų17689.2 Ų89.266%0.66444%0.443SS*.Hα-helixtrans-67.1-41.7175.4-71.5-179.4178.6-169.2-1.2113.3I13 F14 F15 F19 S20 T21I13-R17 WeakPolarHBondContact O-CG 3.47Å; I13-R17 PolarHBondContact O-N 3.48Å; F14-R17 PolarHBondContact O-N 3.28Å; F15-R17 VanDerWaalsContact C-N 3.33Å; F15-R17 PolarHBondContact O-N 2.79Å; R17-F19 VanDerWaalsContact C-N 3.33Å; R17-F19 PolarHBondContact O-N 3.21Å; R17-S20 PolarHBondContact O-N 3.34Å; R17-T21 PolarHBondContact O-N 3.44Å; R17-T21 PolarHBondContact O-OG1 2.83Å
18L75.5Confident69Low73 Ų7387.5 Ų87.538%0.38245%0.448SS..Hα-helixtrans-59.5-46.3179.2-179.766.1000110.7F14 F15 T21 L22F14-L18 HydrophobicContact CE1-CD2 4.14Å; F14-L18 HydrophobicContact CZ-CD2 4.44Å; F14-L18 WeakPolarHBondContact O-CB 3.19Å; F14-L18 PolarHBondContact O-N 3.12Å; F15-L18 HydrophobicContact CD1-CD2 4.24Å; F15-L18 PolarHBondContact O-N 3.4Å; L18-T21 PolarHBondContact O-N 3.39Å; L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 3.46Å
19F69.7Low68.5Low45 Ų4592.2 Ų92.220%0.19747%0.47CS..Hα-helixtrans-70.6-43179.2-66.3-56.4000112.1F15 R17 T21 L22 D23 T46 N50F15-F19 HydrophobicContact CB-CD2 4.23Å; F15-F19 HydrophobicContact CB-CE2 3.93Å; F15-F19 AromaticContact CD1-CE2 3.96Å; F15-F19 HydrophobicContact CD1-CE2 3.96Å; F15-F19 HydrophobicContact CD1-CZ 4.29Å; F15-F19 HydrophobicContact CG-CE2 4.33Å; F15-F19 WeakPolarHBondContact O-CD2 3.39Å; F15-F19 WeakPolarHBondContact O-CG 3.48Å; F15-F19 PolarHBondContact O-N 3.29Å; R17-F19 VanDerWaalsContact C-N 3.33Å; R17-F19 PolarHBondContact O-N 3.21Å; F19-T21 PolarHBondContact O-N 2.89Å; F19-T21 VanDerWaalsContact O-N 3.14Å; F19-L22 HydrophobicContact CD1-CD1 4.03Å; F19-L22 HydrophobicContact CE1-CD1 4.46Å; F19-L22 WeakPolarHBondContact O-CB 3.49Å; F19-L22 PolarHBondContact O-N 2.76Å; F19-D23 PolarHBondContact O-N 2.77Å; F19-D23 VanDerWaalsContact O-OD1 3.09Å; F19-T46 HydrophobicContact CE1-CG2 4.04Å; F19-T46 HydrophobicContact CE2-CG2 4.05Å; F19-T46 HydrophobicContact CZ-CG2 3.77Å; F19-N50 WeakPolarHBondContact CE2-ND2 3.21Å
20S66Low67.5Low59 Ų5996.3 Ų96.341%0.41349%0.49SS..Hα-helixtrans-57.7-31.8174.9177.30000112.9D16 R17 N24D16-S20 WeakPolarHBondContact O-CB 3.44Å; D16-S20 PolarHBondContact O-N 2.88Å; R17-S20 PolarHBondContact O-N 3.34Å; S20-N24 PolarHBondContact O-N 2.85Å; S20-N24 PolarHBondContact O-ND2 3.06Å
21T66.7Low66.6Low74 Ų7496.4 Ų96.445%0.45450%0.502SS..Hα-helixtrans-71.4-43.5175.8-50.60000111.5R17 L18 F19 D23 N24 E25R17-T21 PolarHBondContact O-N 3.44Å; R17-T21 PolarHBondContact O-OG1 2.83Å; L18-T21 PolarHBondContact O-N 3.39Å; F19-T21 PolarHBondContact O-N 2.89Å; F19-T21 VanDerWaalsContact O-N 3.14Å; T21-D23 PolarHBondContact O-N 3.29Å; T21-N24 PolarHBondContact O-N 3.28Å; T21-E25 PolarHBondContact O-N 3.48Å
22L63.3Low65.3Low89 Ų8996 Ų9647%0.46650%0.5SS..Hα-helixtrans-60.4-32.4175.6-69.6169.9000112L18 F19 A26L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 3.46Å; F19-L22 HydrophobicContact CD1-CD1 4.03Å; F19-L22 HydrophobicContact CE1-CD1 4.46Å; F19-L22 WeakPolarHBondContact O-CB 3.49Å; F19-L22 PolarHBondContact O-N 2.76Å; L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 3.46Å; L22-A26 VanDerWaalsContact O-N 3.08Å
23D59.9Low64.3Low52 Ų52101.6 Ų101.628%0.27852%0.52SS..Hα-helixtrans-72.5-40.6178.8-57.9-11.9000112F19 T21 A26 A27 I43F19-D23 PolarHBondContact O-N 2.77Å; F19-D23 VanDerWaalsContact O-OD1 3.09Å; T21-D23 PolarHBondContact O-N 3.29Å; D23-A26 PolarHBondContact O-N 3.11Å; D23-A27 WeakPolarHBondContact O-CB 3.48Å; D23-A27 PolarHBondContact O-N 3.4Å; D23-A27 VanDerWaalsContact O-N 3.16Å; D23-I43 HydrophobicContact CB-CD1 4.26Å; D23-I43 WeakPolarHBondContact OD1-CD1 3.03Å; D23-I43 VanDerWaalsContact OD1-CG1 3.27Å; D23-I43 WeakPolarHBondContact OD1-CG1 3.11Å; D23-I43 VanDerWaalsContact OD2-CD1 3.31Å; D23-I43 WeakPolarHBondContact OD2-CD1 3.37Å
24N62.5Low63.2Low107 Ų107102.1 Ų102.157%0.57253%0.529SS*.Hα-helixtrans-67.7-40.5177.2-69.1-36.5000111.2S20 T21 A26 A27S20-N24 PolarHBondContact O-N 2.85Å; S20-N24 PolarHBondContact O-ND2 3.06Å; T21-N24 PolarHBondContact O-N 3.28Å; N24-A26 VanDerWaalsContact C-N 3.32Å; N24-A26 PolarHBondContact O-N 3.42Å; N24-A27 PolarHBondContact O-N 3.33Å
25E57.1Low61.9Low137 Ų13797 Ų9764%0.6451%0.508SS*.Hα-helixtrans-66.2-34.2175.2-76.8-178.3175.900112.2T21 A27T21-E25 PolarHBondContact O-N 3.48Å; E25-A27 VanDerWaalsContact C-N 3.3Å; E25-A27 PolarHBondContact O-N 3.39Å
26A56.6Low60.7Low39 Ų3996.3 Ų96.332%0.32251%0.511SS..Hα-helixtrans-73.5-20.3177.500000113.7L22 D23 N24L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 3.46Å; L22-A26 VanDerWaalsContact O-N 3.08Å; D23-A26 PolarHBondContact O-N 3.11Å; N24-A26 VanDerWaalsContact C-N 3.32Å; N24-A26 PolarHBondContact O-N 3.42Å
27A55Low59.7Low59 Ų59101.2 Ų101.249%0.48853%0.525SS..Hα-helixtrans-84.8-20.4-177.300000114D23 N24 E25 D29D23-A27 WeakPolarHBondContact O-CB 3.48Å; D23-A27 PolarHBondContact O-N 3.4Å; D23-A27 VanDerWaalsContact O-N 3.16Å; N24-A27 PolarHBondContact O-N 3.33Å; E25-A27 VanDerWaalsContact C-N 3.3Å; E25-A27 PolarHBondContact O-N 3.39Å; A27-D29 PolarHBondContact O-N 2.95Å
28D57.6Low58.8Low144 Ų14499.7 Ų99.777%0.7752%0.523SS*.SBendtrans-75.2-9178.8-90.5-7.1000113.3D30D28-D30 PolarHBondContact O-N 3.04Å
29D56.1Low57.9Low129 Ų129100.1 Ų100.169%0.6952%0.523SS*.SBendtrans-87.187170.1-91.5-16.6000110.4A27 D31A27-D29 PolarHBondContact O-N 2.95Å; D29-D31 PolarHBondContact O-N 3.4Å
30D54.1Low57.4Low159 Ų159100.8 Ų100.885%0.8553%0.531SS*.THydrogen-bonded Turntrans-47.8-6.1-170.3-114.9-20.5000119.2D28D28-D30 PolarHBondContact O-N 3.04Å
31D55.8Low57.2Low166 Ų166103.2 Ų103.289%0.88854%0.536SS*.THydrogen-bonded Turntrans-105.15.6-172.6-81.2-29.8000115.2D29D29-D31 PolarHBondContact O-N 3.4Å
32N51Low57Low75 Ų75106.4 Ų106.440%0.40154%0.543SS..  trans-122.744.3-154.9-131.8-0.2000114.9S34 S35 V36N32-S34 PolarHBondContact O-N 3.11Å; N32-S35 WeakPolarHBondContact CB-OG 3.27Å; N32-S35 VanDerWaalsContact ND2-CB 3.31Å; N32-S35 WeakPolarHBondContact ND2-CB 3.48Å; N32-S35 PolarHBondContact ND2-OG 3.21Å; N32-S35 WeakPolarHBondContact O-CA 3.3Å; N32-S35 WeakPolarHBondContact O-CB 3.46Å; N32-S35 PolarHBondContact O-N 3.19Å; N32-S35 PolarHBondContact O-OG 2.9Å; N32-S35 WeakPolarHBondContact OD1-CB 3.27Å; N32-V36 PolarHBondContact O-N 3.41Å
33Y53.5Low56.9Low209 Ų209103.1 Ų103.182%0.8253%0.526SS*.Hα-helixtrans-53.8-31.1176-131.7-86.3000113.4
34S54.9Low56.9Low77 Ų77104.3 Ų104.354%0.53853%0.532SS..Hα-helixtrans-70.6-40173.469.50000111.7N32 V36 Y37 F38N32-S34 PolarHBondContact O-N 3.11Å; S34-V36 VanDerWaalsContact C-N 3.34Å; S34-V36 PolarHBondContact O-N 3.03Å; S34-Y37 PolarHBondContact O-N 3.44Å; S34-F38 WeakPolarHBondContact O-CD2 3.46Å; S34-F38 PolarHBondContact O-N 3.41Å; S34-F38 VanDerWaalsContact O-N 3.17Å
35S54.6Low56.9Low12 Ų12104 Ų1048%0.08453%0.531CS..Hα-helixtrans-66.6-36.7175.886.60000111.2N32 Y37 F38 H39N32-S35 WeakPolarHBondContact CB-OG 3.27Å; N32-S35 VanDerWaalsContact ND2-CB 3.31Å; N32-S35 WeakPolarHBondContact ND2-CB 3.48Å; N32-S35 PolarHBondContact ND2-OG 3.21Å; N32-S35 WeakPolarHBondContact O-CA 3.3Å; N32-S35 WeakPolarHBondContact O-CB 3.46Å; N32-S35 PolarHBondContact O-N 3.19Å; N32-S35 PolarHBondContact O-OG 2.9Å; N32-S35 WeakPolarHBondContact OD1-CB 3.27Å; S35-Y37 VanDerWaalsContact C-N 3.27Å; S35-Y37 PolarHBondContact O-N 3.46Å; S35-F38 CarbonylContact O-C 3.56Å; S35-F38 PolarHBondContact O-N 2.88Å; S35-F38 VanDerWaalsContact O-N 3.13Å; S35-H39 VanDerWaalsContact O-CB 3.24Å; S35-H39 WeakPolarHBondContact O-CB 3.29Å; S35-H39 PolarHBondContact O-CD2 2.97Å; S35-H39 PolarHBondContact O-N 3.27Å
36V52.1Low57.1Low65 Ų6599.6 Ų99.639%0.39451%0.513SS..Hα-helixtrans-57.6-41.8177.4179.20000111N32 S34 T40N32-V36 PolarHBondContact O-N 3.41Å; S34-V36 VanDerWaalsContact C-N 3.34Å; S34-V36 PolarHBondContact O-N 3.03Å; V36-T40 HydrophobicContact CG1-CG2 4.24Å; V36-T40 VanDerWaalsContact O-CB 3.32Å; V36-T40 WeakPolarHBondContact O-CB 3.43Å; V36-T40 VanDerWaalsContact O-CG2 3.25Å; V36-T40 WeakPolarHBondContact O-CG2 3.09Å; V36-T40 PolarHBondContact O-N 3.45Å; V36-T40 PolarHBondContact O-OG1 3.42Å
37Y55.8Low57.3Low180 Ų180100.1 Ų100.171%0.70651%0.51SS*.Hα-helixtrans-68.3-43.7176.2-119.8-85.2000112.4S34 S35 H39 T40 E41S34-Y37 PolarHBondContact O-N 3.44Å; S35-Y37 VanDerWaalsContact C-N 3.27Å; S35-Y37 PolarHBondContact O-N 3.46Å; Y37-H39 VanDerWaalsContact C-N 3.33Å; Y37-H39 PolarHBondContact O-N 2.85Å; Y37-T40 WeakPolarHBondContact CA-OG1 3.39Å; Y37-T40 PolarHBondContact O-OG1 2.92Å; Y37-T40 VanDerWaalsContact O-OG1 3.13Å; Y37-E41 WeakPolarHBondContact O-CB 3.36Å; Y37-E41 PolarHBondContact O-N 3.49Å
38F57.8Low57.5Low144 Ų144102.1 Ų102.163%0.63251%0.508SS*.Hα-helixtrans-65.9-35.8176.3-76.1-65.1000112.7S34 S35 K42S34-F38 WeakPolarHBondContact O-CD2 3.46Å; S34-F38 PolarHBondContact O-N 3.41Å; S34-F38 VanDerWaalsContact O-N 3.17Å; S35-F38 CarbonylContact O-C 3.56Å; S35-F38 PolarHBondContact O-N 2.88Å; S35-F38 VanDerWaalsContact O-N 3.13Å; F38-K42 WeakPolarHBondContact O-CB 3.31Å; F38-K42 PolarHBondContact O-N 3.02Å
39H55.5Low58Low82 Ų8297 Ų9738%0.3849%0.488SS..Hα-helixtrans-71.6-51.6176.7-77-70000109.5S35 Y37 E41 K42 I43S35-H39 VanDerWaalsContact O-CB 3.24Å; S35-H39 WeakPolarHBondContact O-CB 3.29Å; S35-H39 PolarHBondContact O-CD2 2.97Å; S35-H39 PolarHBondContact O-N 3.27Å; Y37-H39 VanDerWaalsContact C-N 3.33Å; Y37-H39 PolarHBondContact O-N 2.85Å; H39-E41 VanDerWaalsContact C-N 3.29Å; H39-E41 PolarHBondContact O-N 2.97Å; H39-K42 CarbonylContact O-C 3.6Å; H39-K42 WeakPolarHBondContact O-CA 3.35Å; H39-K42 WeakPolarHBondContact O-CB 3.48Å; H39-K42 PolarHBondContact O-N 2.94Å; H39-I43 VanDerWaalsContact C-CD1 3.41Å; H39-I43 HydrophobicContact CB-CD1 4.14Å; H39-I43 WeakPolarHBondContact O-CB 2.99Å; H39-I43 WeakPolarHBondContact O-CD1 3.33Å; H39-I43 WeakPolarHBondContact O-CG1 3.34Å; H39-I43 PolarHBondContact O-N 3.06Å
40T60.5Low58.7Low59 Ų5993.2 Ų93.236%0.36247%0.468SS..Hα-helixtrans-59.6-37.6177.952.10000112.3V36 Y37 I43 N44V36-T40 HydrophobicContact CG1-CG2 4.24Å; V36-T40 VanDerWaalsContact O-CB 3.32Å; V36-T40 WeakPolarHBondContact O-CB 3.43Å; V36-T40 VanDerWaalsContact O-CG2 3.25Å; V36-T40 WeakPolarHBondContact O-CG2 3.09Å; V36-T40 PolarHBondContact O-N 3.45Å; V36-T40 PolarHBondContact O-OG1 3.42Å; Y37-T40 WeakPolarHBondContact CA-OG1 3.39Å; Y37-T40 PolarHBondContact O-OG1 2.92Å; Y37-T40 VanDerWaalsContact O-OG1 3.13Å; T40-I43 PolarHBondContact O-N 2.85Å; T40-N44 VanDerWaalsContact O-CB 3.3Å; T40-N44 WeakPolarHBondContact O-CB 3.35Å; T40-N44 VanDerWaalsContact O-CG 3.29Å; T40-N44 PolarHBondContact O-N 3.38Å; T40-N44 PolarHBondContact O-ND2 2.84Å; T40-N44 VanDerWaalsContact O-ND2 3.15Å
41E61Low59.3Low110 Ų11093.8 Ų93.851%0.51446%0.458SS..Hα-helixtrans-65.7-44.8170.8-171178.8-174.500111.6Y37 H39 I43 N44 N45Y37-E41 WeakPolarHBondContact O-CB 3.36Å; Y37-E41 PolarHBondContact O-N 3.49Å; H39-E41 VanDerWaalsContact C-N 3.29Å; H39-E41 PolarHBondContact O-N 2.97Å; E41-I43 VanDerWaalsContact C-N 3.31Å; E41-I43 PolarHBondContact O-N 3.29Å; E41-N44 PolarHBondContact O-N 2.86Å; E41-N45 VanDerWaalsContact O-CB 3.27Å; E41-N45 WeakPolarHBondContact O-CB 3.33Å; E41-N45 VanDerWaalsContact O-CG 3.31Å; E41-N45 PolarHBondContact O-N 3.05Å; E41-N45 PolarHBondContact O-ND2 3.45Å
42K61.9Low60.1Low140 Ų14093.6 Ų93.661%0.60945%0.447SS*.Hα-helixtrans-63.5-36.5176.5-170177.2-176.1-177.60111.9F38 H39 T46F38-K42 WeakPolarHBondContact O-CB 3.31Å; F38-K42 PolarHBondContact O-N 3.02Å; H39-K42 CarbonylContact O-C 3.6Å; H39-K42 WeakPolarHBondContact O-CA 3.35Å; H39-K42 WeakPolarHBondContact O-CB 3.48Å; H39-K42 PolarHBondContact O-N 2.94Å; K42-T46 WeakPolarHBondContact O-CB 3.4Å; K42-T46 PolarHBondContact O-N 2.88Å; K42-T46 PolarHBondContact O-OG1 3.37Å
43I61.6Low61.4Low20 Ų2095.9 Ų95.910%0.10345%0.453CS..Hα-helixtrans-71.3-47.8177.5-65.5147.9000109.1D23 H39 T40 E41 N45 T46 I47D23-I43 HydrophobicContact CB-CD1 4.26Å; D23-I43 WeakPolarHBondContact OD1-CD1 3.03Å; D23-I43 VanDerWaalsContact OD1-CG1 3.27Å; D23-I43 WeakPolarHBondContact OD1-CG1 3.11Å; D23-I43 VanDerWaalsContact OD2-CD1 3.31Å; D23-I43 WeakPolarHBondContact OD2-CD1 3.37Å; H39-I43 VanDerWaalsContact C-CD1 3.41Å; H39-I43 HydrophobicContact CB-CD1 4.14Å; H39-I43 WeakPolarHBondContact O-CB 2.99Å; H39-I43 WeakPolarHBondContact O-CD1 3.33Å; H39-I43 WeakPolarHBondContact O-CG1 3.34Å; H39-I43 PolarHBondContact O-N 3.06Å; T40-I43 PolarHBondContact O-N 2.85Å; E41-I43 VanDerWaalsContact C-N 3.31Å; E41-I43 PolarHBondContact O-N 3.29Å; I43-N45 VanDerWaalsContact C-N 3.31Å; I43-N45 PolarHBondContact O-N 3.41Å; I43-T46 CarbonylContact O-C 3.44Å; I43-T46 WeakPolarHBondContact O-CA 3.25Å; I43-T46 WeakPolarHBondContact O-CB 3.32Å; I43-T46 PolarHBondContact O-N 3.22Å; I43-I47 HydrophobicContact CG2-CD1 3.51Å; I43-I47 HydrophobicContact CG2-CG1 4.01Å; I43-I47 WeakPolarHBondContact O-CB 3.32Å; I43-I47 VanDerWaalsContact O-CG1 3.28Å; I43-I47 WeakPolarHBondContact O-CG1 3.31Å; I43-I47 PolarHBondContact O-N 3.26Å
44N60.2Low62.6Low78 Ų7887.9 Ų87.942%0.41742%0.424SS..Hα-helixtrans-57.6-47.2173.6-78.5-36.7000110.3T40 E41 T46 I47 F48T40-N44 VanDerWaalsContact O-CB 3.3Å; T40-N44 WeakPolarHBondContact O-CB 3.35Å; T40-N44 VanDerWaalsContact O-CG 3.29Å; T40-N44 PolarHBondContact O-N 3.38Å; T40-N44 PolarHBondContact O-ND2 2.84Å; T40-N44 VanDerWaalsContact O-ND2 3.15Å; E41-N44 PolarHBondContact O-N 2.86Å; N44-T46 VanDerWaalsContact C-N 3.27Å; N44-T46 PolarHBondContact O-N 3.42Å; N44-I47 PolarHBondContact O-N 3.23Å; N44-F48 HydrophobicContact CB-CD2 4.06Å; N44-F48 HydrophobicContact CB-CE2 4.06Å; N44-F48 VanDerWaalsContact O-CB 3.26Å; N44-F48 WeakPolarHBondContact O-CB 3.45Å; N44-F48 WeakPolarHBondContact O-CD2 3.28Å; N44-F48 WeakPolarHBondContact O-CG 3.14Å; N44-F48 PolarHBondContact O-N 3.03Å
45N61.6Low63.7Low101 Ų10191.6 Ų91.654%0.5443%0.43SS..Hα-helixtrans-62.9-32.7174.7-75.4-21.3000112.6E41 I43 G49E41-N45 VanDerWaalsContact O-CB 3.27Å; E41-N45 WeakPolarHBondContact O-CB 3.33Å; E41-N45 VanDerWaalsContact O-CG 3.31Å; E41-N45 PolarHBondContact O-N 3.05Å; E41-N45 PolarHBondContact O-ND2 3.45Å; I43-N45 VanDerWaalsContact C-N 3.31Å; I43-N45 PolarHBondContact O-N 3.41Å; N45-G49 WeakPolarHBondContact O-CA 3.48Å; N45-G49 PolarHBondContact O-N 3.06Å
46T61.2Low64.9Low43 Ų4395.7 Ų95.726%0.26446%0.455SS..Hα-helixtrans-74.5-42.6175.9-61.10000111.1F19 K42 I43 N44 N50F19-T46 HydrophobicContact CE1-CG2 4.04Å; F19-T46 HydrophobicContact CE2-CG2 4.05Å; F19-T46 HydrophobicContact CZ-CG2 3.77Å; K42-T46 WeakPolarHBondContact O-CB 3.4Å; K42-T46 PolarHBondContact O-N 2.88Å; K42-T46 PolarHBondContact O-OG1 3.37Å; I43-T46 CarbonylContact O-C 3.44Å; I43-T46 WeakPolarHBondContact O-CA 3.25Å; I43-T46 WeakPolarHBondContact O-CB 3.32Å; I43-T46 PolarHBondContact O-N 3.22Å; N44-T46 VanDerWaalsContact C-N 3.27Å; N44-T46 PolarHBondContact O-N 3.42Å; T46-N50 WeakPolarHBondContact CG2-ND2 3.39Å; T46-N50 WeakPolarHBondContact O-CA 3.48Å; T46-N50 WeakPolarHBondContact O-CB 3.46Å; T46-N50 PolarHBondContact O-N 3.34Å; T46-N50 PolarHBondContact O-ND2 2.87Å; T46-N50 VanDerWaalsContact O-ND2 3.09Å; T46-N50 PolarHBondContact O-OD1 2.75Å
47I60.9Low66.1Low51 Ų5195.9 Ų95.926%0.26245%0.453SS..Hα-helixtrans-69.2-52.2178.7-67.8172.1000109.6I43 N44 N50 R51I43-I47 HydrophobicContact CG2-CD1 3.51Å; I43-I47 HydrophobicContact CG2-CG1 4.01Å; I43-I47 WeakPolarHBondContact O-CB 3.32Å; I43-I47 VanDerWaalsContact O-CG1 3.28Å; I43-I47 WeakPolarHBondContact O-CG1 3.31Å; I43-I47 PolarHBondContact O-N 3.26Å; N44-I47 PolarHBondContact O-N 3.23Å; I47-N50 PolarHBondContact O-N 2.93Å; I47-R51 VanDerWaalsContact O-CB 3.32Å; I47-R51 WeakPolarHBondContact O-CB 2.96Å; I47-R51 PolarHBondContact O-N 3.19Å
48F60.5Low67.1Low101 Ų10189.6 Ų89.644%0.44343%0.432SS..Hα-helixtrans-63.7-47176.5-69.7-63.3000110N44 N50 R51 Y52N44-F48 HydrophobicContact CB-CD2 4.06Å; N44-F48 HydrophobicContact CB-CE2 4.06Å; N44-F48 VanDerWaalsContact O-CB 3.26Å; N44-F48 WeakPolarHBondContact O-CB 3.45Å; N44-F48 WeakPolarHBondContact O-CD2 3.28Å; N44-F48 WeakPolarHBondContact O-CG 3.14Å; N44-F48 PolarHBondContact O-N 3.03Å; F48-N50 VanDerWaalsContact C-N 3.33Å; F48-N50 PolarHBondContact O-N 3.44Å; F48-R51 PolarHBondContact O-N 2.9Å; F48-R51 VanDerWaalsContact O-N 3.12Å; F48-Y52 HydrophobicContact CB-CE2 4.48Å; F48-Y52 WeakPolarHBondContact O-CD2 3.42Å; F48-Y52 PolarHBondContact O-N 2.96Å
49G67.7Low68.1Low35 Ų3587.2 Ų87.236%0.36142%0.423SS..Hα-helixtrans-55.5-46.3174.200000112.3N45 Y52 F53N45-G49 WeakPolarHBondContact O-CA 3.48Å; N45-G49 PolarHBondContact O-N 3.06Å; G49-Y52 PolarHBondContact O-N 2.79Å; G49-F53 WeakPolarHBondContact O-CB 3.48Å; G49-F53 PolarHBondContact O-N 3.26Å
50N70.4Confident69.3Low50 Ų5089.5 Ų89.527%0.26743%0.429SS..Hα-helixtrans-66-38.6175.9-75.2-20.7000111.7F19 T46 I47 F48 F53 I54F19-N50 WeakPolarHBondContact CE2-ND2 3.21Å; T46-N50 WeakPolarHBondContact CG2-ND2 3.39Å; T46-N50 WeakPolarHBondContact O-CA 3.48Å; T46-N50 WeakPolarHBondContact O-CB 3.46Å; T46-N50 PolarHBondContact O-N 3.34Å; T46-N50 PolarHBondContact O-ND2 2.87Å; T46-N50 VanDerWaalsContact O-ND2 3.09Å; T46-N50 PolarHBondContact O-OD1 2.75Å; I47-N50 PolarHBondContact O-N 2.93Å; F48-N50 VanDerWaalsContact C-N 3.33Å; F48-N50 PolarHBondContact O-N 3.44Å; N50-F53 PolarHBondContact O-N 3.37Å; N50-I54 VanDerWaalsContact O-CB 3.28Å; N50-I54 WeakPolarHBondContact O-CB 2.98Å; N50-I54 WeakPolarHBondContact O-CD1 3.06Å; N50-I54 WeakPolarHBondContact O-CG1 3.32Å; N50-I54 PolarHBondContact O-N 3.48Å
51R67.2Low70Confident171 Ų17190.9 Ų90.965%0.64543%0.434SS*.Hα-helixtrans-64.5-44.8176.2-175.6178179.4-178.60.4111.2I47 F48 K55I47-R51 VanDerWaalsContact O-CB 3.32Å; I47-R51 WeakPolarHBondContact O-CB 2.96Å; I47-R51 PolarHBondContact O-N 3.19Å; F48-R51 PolarHBondContact O-N 2.9Å; F48-R51 VanDerWaalsContact O-N 3.12Å; R51-K55 WeakPolarHBondContact O-CB 3.38Å; R51-K55 PolarHBondContact O-N 3.4Å
52Y72.9Confident70.8Confident163 Ų16390.1 Ų90.164%0.63943%0.429SS*.Hα-helixtrans-63.1-45.1173.2-77.3-72.1000110.9F48 G49 K55 V56F48-Y52 HydrophobicContact CB-CE2 4.48Å; F48-Y52 WeakPolarHBondContact O-CD2 3.42Å; F48-Y52 PolarHBondContact O-N 2.96Å; G49-Y52 PolarHBondContact O-N 2.79Å; Y52-K55 WeakPolarHBondContact O-CB 3.4Å; Y52-K55 PolarHBondContact O-N 3.46Å; Y52-V56 WeakPolarHBondContact O-CG2 3.27Å; Y52-V56 PolarHBondContact O-N 3.3Å
53F77.3Confident71.4Confident122 Ų12290.3 Ų90.354%0.53543%0.426SS..Hα-helixtrans-61.4-48.7178.5177.8-101.1000112.2G49 N50 K55 V56 L57G49-F53 WeakPolarHBondContact O-CB 3.48Å; G49-F53 PolarHBondContact O-N 3.26Å; N50-F53 PolarHBondContact O-N 3.37Å; F53-K55 VanDerWaalsContact C-N 3.28Å; F53-K55 PolarHBondContact O-N 3Å; F53-V56 PolarHBondContact O-N 3.05Å; F53-L57 HydrophobicContact CE1-CD2 4.06Å; F53-L57 HydrophobicContact CZ-CD2 4.46Å; F53-L57 VanDerWaalsContact O-CB 3.25Å; F53-L57 WeakPolarHBondContact O-CB 3.34Å; F53-L57 PolarHBondContact O-N 3.2Å
54I79.5Confident71.8Confident41 Ų4192.4 Ų92.421%0.2144%0.437CS..Hα-helixtrans-60.3-40.5176.8-70.3165000110.2N50 L57 N58N50-I54 VanDerWaalsContact O-CB 3.28Å; N50-I54 WeakPolarHBondContact O-CB 2.98Å; N50-I54 WeakPolarHBondContact O-CD1 3.06Å; N50-I54 WeakPolarHBondContact O-CG1 3.32Å; N50-I54 PolarHBondContact O-N 3.48Å; I54-L57 PolarHBondContact O-N 3.04Å; I54-N58 WeakPolarHBondContact CG2-ND2 3.11Å; I54-N58 VanDerWaalsContact O-CB 3.31Å; I54-N58 WeakPolarHBondContact O-CB 3.31Å; I54-N58 VanDerWaalsContact O-CG 3.25Å; I54-N58 PolarHBondContact O-N 3.14Å; I54-N58 PolarHBondContact O-ND2 3.12Å
55K77.3Confident72Confident155 Ų15594.2 Ų94.267%0.67444%0.438SS*.Hα-helixtrans-62.4-48175.3-173.8-179179-176.80111.4R51 Y52 F53 N58 E59R51-K55 WeakPolarHBondContact O-CB 3.38Å; R51-K55 PolarHBondContact O-N 3.4Å; Y52-K55 WeakPolarHBondContact O-CB 3.4Å; Y52-K55 PolarHBondContact O-N 3.46Å; F53-K55 VanDerWaalsContact C-N 3.28Å; F53-K55 PolarHBondContact O-N 3Å; K55-N58 PolarHBondContact O-N 3.48Å; K55-E59 WeakPolarHBondContact O-CB 3.18Å; K55-E59 PolarHBondContact O-N 3.04Å
56V79.1Confident72.3Confident98 Ų9893.7 Ų93.759%0.59444%0.435SS*.Hα-helixtrans-63.5-42.2177.9171.60000111.2Y52 F53 E59 Y60Y52-V56 WeakPolarHBondContact O-CG2 3.27Å; Y52-V56 PolarHBondContact O-N 3.3Å; F53-V56 PolarHBondContact O-N 3.05Å; V56-E59 PolarHBondContact O-N 2.77Å; V56-Y60 VanDerWaalsContact O-CB 3.31Å; V56-Y60 WeakPolarHBondContact O-CB 2.8Å; V56-Y60 PolarHBondContact O-N 3.33Å
57L79.3Confident72.3Confident69 Ų6998 Ų9836%0.36145%0.45SS..Hα-helixtrans-63.7-46.3177.7179.962.6000111.1F53 I54 Y60 L61F53-L57 HydrophobicContact CE1-CD2 4.06Å; F53-L57 HydrophobicContact CZ-CD2 4.46Å; F53-L57 VanDerWaalsContact O-CB 3.25Å; F53-L57 WeakPolarHBondContact O-CB 3.34Å; F53-L57 PolarHBondContact O-N 3.2Å; I54-L57 PolarHBondContact O-N 3.04Å; L57-Y60 PolarHBondContact O-N 3.01Å; L57-L61 HydrophobicContact CD1-CD1 4.4Å; L57-L61 HydrophobicContact CD1-CG 4.33Å; L57-L61 HydrophobicContact CG-CD1 4.18Å; L57-L61 WeakPolarHBondContact O-CB 3.38Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.28Å; L57-L61 PolarHBondContact O-N 2.93Å
58N75.7Confident72.3Confident48 Ų48102 Ų10226%0.25747%0.467SS..Hα-helixtrans-61.9-46.8176.2-76.6-37.5000111.3I54 K55 Y60 L61 F62I54-N58 WeakPolarHBondContact CG2-ND2 3.11Å; I54-N58 VanDerWaalsContact O-CB 3.31Å; I54-N58 WeakPolarHBondContact O-CB 3.31Å; I54-N58 VanDerWaalsContact O-CG 3.25Å; I54-N58 PolarHBondContact O-N 3.14Å; I54-N58 PolarHBondContact O-ND2 3.12Å; K55-N58 PolarHBondContact O-N 3.48Å; N58-Y60 VanDerWaalsContact C-N 3.29Å; N58-Y60 PolarHBondContact O-N 3.4Å; N58-L61 PolarHBondContact O-N 2.86Å; N58-F62 HydrophobicContact CB-CD2 4.46Å; N58-F62 HydrophobicContact CB-CE2 4.28Å; N58-F62 WeakPolarHBondContact O-CD2 3Å; N58-F62 WeakPolarHBondContact O-CG 3.41Å; N58-F62 PolarHBondContact O-N 3.37Å
59E78.3Confident72.1Confident94 Ų94101.3 Ų101.344%0.43947%0.467SS..Hα-helixtrans-57.5-42.5175.9-18064.9-161.100111.6K55 V56 F62 R63K55-E59 WeakPolarHBondContact O-CB 3.18Å; K55-E59 PolarHBondContact O-N 3.04Å; V56-E59 PolarHBondContact O-N 2.77Å; E59-F62 PolarHBondContact O-N 3.39Å; E59-R63 VanDerWaalsContact O-CG 3.32Å; E59-R63 WeakPolarHBondContact O-CG 3.09Å; E59-R63 PolarHBondContact O-N 3.09Å; E59-R63 IonicContact OE1-CZ 3.37Å; E59-R63 IonicContact OE1-NE 3.03Å; E59-R63 PolarHBondContact OE1-NE 2.77Å; E59-R63 IonicContact OE1-NH2 2.84Å; E59-R63 PolarHBondContact OE1-NH2 2.74Å
60Y80.8Confident71.4Confident131 Ų131104.3 Ų104.351%0.51448%0.479SS..Hα-helixtrans-64.7-45.9175.3177-103.6000112.5V56 L57 N58 F62 R63 L64V56-Y60 VanDerWaalsContact O-CB 3.31Å; V56-Y60 WeakPolarHBondContact O-CB 2.8Å; V56-Y60 PolarHBondContact O-N 3.33Å; L57-Y60 PolarHBondContact O-N 3.01Å; N58-Y60 VanDerWaalsContact C-N 3.29Å; N58-Y60 PolarHBondContact O-N 3.4Å; Y60-F62 VanDerWaalsContact C-N 3.31Å; Y60-F62 PolarHBondContact O-N 3.5Å; Y60-R63 PolarHBondContact O-N 2.71Å; Y60-L64 HydrophobicContact CD1-CD1 3.99Å; Y60-L64 HydrophobicContact CD1-CG 4.37Å; Y60-L64 HydrophobicContact CE1-CD1 3.31Å; Y60-L64 HydrophobicContact CE1-CG 3.91Å; Y60-L64 HydrophobicContact CE2-CD2 4.48Å; Y60-L64 HydrophobicContact CE2-CG 4.3Å; Y60-L64 PolarHBondContact O-N 3.04Å
61L76.2Confident70.7Confident88 Ų88108.8 Ų108.846%0.46150%0.502SS..Hα-helixtrans-63.3-37.2177-70.5174.8000111.8L57 N58 L64 R65L57-L61 HydrophobicContact CD1-CD1 4.4Å; L57-L61 HydrophobicContact CD1-CG 4.33Å; L57-L61 HydrophobicContact CG-CD1 4.18Å; L57-L61 WeakPolarHBondContact O-CB 3.38Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.28Å; L57-L61 PolarHBondContact O-N 2.93Å; N58-L61 PolarHBondContact O-N 2.86Å; L61-L64 PolarHBondContact O-N 3.31Å; L61-R65 WeakPolarHBondContact O-CB 3.5Å; L61-R65 PolarHBondContact O-N 3.23Å
62F77.3Confident70.2Confident93 Ų93104.1 Ų104.141%0.40850%0.496SS..Hα-helixtrans-63-45.9172.8-77-59.3000111.3N58 E59 Y60 L64 R65 D66N58-F62 HydrophobicContact CB-CD2 4.46Å; N58-F62 HydrophobicContact CB-CE2 4.28Å; N58-F62 WeakPolarHBondContact O-CD2 3Å; N58-F62 WeakPolarHBondContact O-CG 3.41Å; N58-F62 PolarHBondContact O-N 3.37Å; E59-F62 PolarHBondContact O-N 3.39Å; Y60-F62 VanDerWaalsContact C-N 3.31Å; Y60-F62 PolarHBondContact O-N 3.5Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 PolarHBondContact O-N 3.48Å; F62-R65 WeakPolarHBondContact O-CB 3.44Å; F62-R65 PolarHBondContact O-N 3.37Å; F62-D66 VanDerWaalsContact O-CG 3.28Å; F62-D66 PolarHBondContact O-N 3.16Å
63R75.2Confident69Low144 Ų144101.9 Ų101.954%0.54349%0.492SS..Hα-helixtrans-62.5-38.6175.6-69.5172-167-176.53.3112.9E59 Y60 D66 K67E59-R63 VanDerWaalsContact O-CG 3.32Å; E59-R63 WeakPolarHBondContact O-CG 3.09Å; E59-R63 PolarHBondContact O-N 3.09Å; E59-R63 IonicContact OE1-CZ 3.37Å; E59-R63 IonicContact OE1-NE 3.03Å; E59-R63 PolarHBondContact OE1-NE 2.77Å; E59-R63 IonicContact OE1-NH2 2.84Å; E59-R63 PolarHBondContact OE1-NH2 2.74Å; Y60-R63 PolarHBondContact O-N 2.71Å; R63-D66 PolarHBondContact O-N 2.68Å; R63-K67 WeakPolarHBondContact O-CB 3.45Å; R63-K67 VanDerWaalsContact O-CG 3.27Å; R63-K67 WeakPolarHBondContact O-CG 3.26Å; R63-K67 PolarHBondContact O-N 3.42Å
64L70.1Confident67.8Low64 Ų6497.9 Ų97.934%0.33548%0.478SS..Hα-helixtrans-64.2-45174.2-77.3-175.8000111.1Y60 L61 F62 D66 K67 E68Y60-L64 HydrophobicContact CD1-CD1 3.99Å; Y60-L64 HydrophobicContact CD1-CG 4.37Å; Y60-L64 HydrophobicContact CE1-CD1 3.31Å; Y60-L64 HydrophobicContact CE1-CG 3.91Å; Y60-L64 HydrophobicContact CE2-CD2 4.48Å; Y60-L64 HydrophobicContact CE2-CG 4.3Å; Y60-L64 PolarHBondContact O-N 3.04Å; L61-L64 PolarHBondContact O-N 3.31Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 PolarHBondContact O-N 3.48Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 3.49Å; L64-K67 PolarHBondContact O-N 3.31Å; L64-E68 WeakPolarHBondContact O-CB 3.32Å; L64-E68 WeakPolarHBondContact O-CG 3.44Å; L64-E68 PolarHBondContact O-N 3.25Å
65R64.4Low66.7Low117 Ų117104 Ų10444%0.44250%0.503SS..Hα-helixtrans-60.6-43.5175.9-174.3-176.3-178.7-135.7-4.7111.5L61 F62 E68 I69L61-R65 WeakPolarHBondContact O-CB 3.5Å; L61-R65 PolarHBondContact O-N 3.23Å; F62-R65 WeakPolarHBondContact O-CB 3.44Å; F62-R65 PolarHBondContact O-N 3.37Å; R65-E68 PolarHBondContact O-N 3.08Å; R65-I69 HydrophobicContact CG-CD1 3.85Å; R65-I69 HydrophobicContact CG-CG1 4.42Å; R65-I69 WeakPolarHBondContact O-CB 3.17Å; R65-I69 WeakPolarHBondContact O-CG1 3.15Å; R65-I69 PolarHBondContact O-N 3.47Å
66D66.8Low65.9Low89 Ų89104 Ų10448%0.47650%0.499SS..Hα-helixtrans-68.2-38179.1-67.3-18.6000111.1F62 R63 L64 I69 V70F62-D66 VanDerWaalsContact O-CG 3.28Å; F62-D66 PolarHBondContact O-N 3.16Å; R63-D66 PolarHBondContact O-N 2.68Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 3.49Å; D66-I69 PolarHBondContact O-N 2.67Å; D66-V70 WeakPolarHBondContact O-CB 3.5Å; D66-V70 WeakPolarHBondContact O-CG2 3.25Å; D66-V70 PolarHBondContact O-N 3.39Å
67K61.7Low64.7Low135 Ų135103.3 Ų103.359%0.58749%0.492SS*.Hα-helixtrans-64.6-41.3170.8-76.8-179.5-179.1-173.90112.4R63 L64 V70 N71R63-K67 WeakPolarHBondContact O-CB 3.45Å; R63-K67 VanDerWaalsContact O-CG 3.27Å; R63-K67 WeakPolarHBondContact O-CG 3.26Å; R63-K67 PolarHBondContact O-N 3.42Å; L64-K67 PolarHBondContact O-N 3.31Å; K67-V70 PolarHBondContact O-N 2.81Å; K67-N71 VanDerWaalsContact O-CB 3.29Å; K67-N71 WeakPolarHBondContact O-CB 3.42Å; K67-N71 VanDerWaalsContact O-CG 3.24Å; K67-N71 PolarHBondContact O-N 2.77Å; K67-N71 PolarHBondContact O-ND2 3.39Å
68E60.4Low63.7Low134 Ų134103.6 Ų103.663%0.62649%0.494SS*.Hα-helixtrans-65.2-41.8174.6-81.3-174.3174.900110.8L64 R65 V70 N71 S72L64-E68 WeakPolarHBondContact O-CB 3.32Å; L64-E68 WeakPolarHBondContact O-CG 3.44Å; L64-E68 PolarHBondContact O-N 3.25Å; R65-E68 PolarHBondContact O-N 3.08Å; E68-V70 VanDerWaalsContact C-N 3.3Å; E68-V70 PolarHBondContact O-N 3.34Å; E68-N71 CarbonylContact O-C 3.45Å; E68-N71 PolarHBondContact O-N 2.83Å; E68-S72 WeakPolarHBondContact O-CA 3.3Å; E68-S72 WeakPolarHBondContact O-CB 3.24Å; E68-S72 PolarHBondContact O-N 3.01Å; E68-S72 PolarHBondContact O-OG 2.75Å
69I55.7Low63.1Low86 Ų86107.4 Ų107.444%0.44151%0.508SS..Hα-helixtrans-62.8-38.3174.8-70.3164.6000110.6R65 D66 S72 Q73R65-I69 HydrophobicContact CG-CD1 3.85Å; R65-I69 HydrophobicContact CG-CG1 4.42Å; R65-I69 WeakPolarHBondContact O-CB 3.17Å; R65-I69 WeakPolarHBondContact O-CG1 3.15Å; R65-I69 PolarHBondContact O-N 3.47Å; D66-I69 PolarHBondContact O-N 2.67Å; I69-S72 CarbonylContact O-C 3.55Å; I69-S72 VanDerWaalsContact O-C 3.27Å; I69-Q73 PolarHBondContact O-N 2.79Å
70V55Low62.3Low98 Ų98107.9 Ų107.959%0.59451%0.51SS*.Hα-helixtrans-69.3-42.7174.9171.60000111.4D66 K67 E68 S72 Q73D66-V70 WeakPolarHBondContact O-CB 3.5Å; D66-V70 WeakPolarHBondContact O-CG2 3.25Å; D66-V70 PolarHBondContact O-N 3.39Å; K67-V70 PolarHBondContact O-N 2.81Å; E68-V70 VanDerWaalsContact C-N 3.3Å; E68-V70 PolarHBondContact O-N 3.34Å; V70-S72 VanDerWaalsContact C-N 3.31Å; V70-S72 PolarHBondContact O-N 2.61Å; V70-Q73 PolarHBondContact O-N 3.39Å
71N55Low61Low144 Ų144107 Ų10777%0.7751%0.511SS*.Hα-helixtrans-74.8-21.8178-72.2-20.6000113.3K67 E68K67-N71 VanDerWaalsContact O-CB 3.29Å; K67-N71 WeakPolarHBondContact O-CB 3.42Å; K67-N71 VanDerWaalsContact O-CG 3.24Å; K67-N71 PolarHBondContact O-N 2.77Å; K67-N71 PolarHBondContact O-ND2 3.39Å; E68-N71 CarbonylContact O-C 3.45Å; E68-N71 PolarHBondContact O-N 2.83Å
72S55.4Low60.5Low73 Ų73109.4 Ų109.451%0.5152%0.52SS..THydrogen-bonded Turntrans-107.429.7172.969.20000110.9E68 I69 V70 P74E68-S72 WeakPolarHBondContact O-CA 3.3Å; E68-S72 WeakPolarHBondContact O-CB 3.24Å; E68-S72 PolarHBondContact O-N 3.01Å; E68-S72 PolarHBondContact O-OG 2.75Å; I69-S72 CarbonylContact O-C 3.55Å; I69-S72 VanDerWaalsContact O-C 3.27Å; V70-S72 VanDerWaalsContact C-N 3.31Å; V70-S72 PolarHBondContact O-N 2.61Å; S72-P74 WeakPolarHBondContact O-CA 3.27Å; S72-P74 WeakPolarHBondContact O-CD 3.16Å
73Q48.7Very low59.8Low117 Ų117113.6 Ų113.655%0.54753%0.533SS..  trans-42.7114.3157.5-97-162-6.200105.6I69 V70 K75I69-Q73 PolarHBondContact O-N 2.79Å; V70-Q73 PolarHBondContact O-N 3.39Å; Q73-K75 PolarHBondContact O-N 3.26Å
74P51.4Low59.6Low37 Ų37113 Ų11324%0.2454%0.536CS..  trans-62.3119.9-161.1-14.216.2000107.9S72 Y76 L77 L78S72-P74 WeakPolarHBondContact O-CA 3.27Å; S72-P74 WeakPolarHBondContact O-CD 3.16Å; P74-Y76 HydrophobicContact CB-CD1 3.22Å; P74-Y76 HydrophobicContact CB-CD2 4.19Å; P74-Y76 HydrophobicContact CB-CE1 3.02Å; P74-Y76 HydrophobicContact CB-CE2 4.01Å; P74-Y76 HydrophobicContact CB-CG 3.8Å; P74-Y76 VanDerWaalsContact CB-CZ 3.41Å; P74-Y76 HydrophobicContact CG-CD1 4.35Å; P74-Y76 HydrophobicContact CG-CE1 3.71Å; P74-Y76 HydrophobicContact CG-CE2 4.37Å; P74-Y76 CarbonylContact O-C 3.27Å; P74-Y76 PolarHBondContact O-N 3.31Å; P74-L77 HydrophobicContact CB-CG 4.34Å; P74-L77 HydrophobicContact CG-CD1 3.8Å; P74-L77 HydrophobicContact CG-CG 4.13Å; P74-L77 PolarHBondContact O-N 2.93Å; P74-L78 PolarHBondContact O-N 2.81Å
75K58Low59.4Low171 Ų171117.8 Ų117.874%0.74355%0.554SS**Hα-helixtrans-53.5-21.4175.2-74.2-176.8178.7178.20111Q73 K79Q73-K75 PolarHBondContact O-N 3.26Å; K75-K79 WeakPolarHBondContact O-CB 3.41Å; K75-K79 VanDerWaalsContact O-CG 3.3Å; K75-K79 WeakPolarHBondContact O-CG 3.43Å; K75-K79 PolarHBondContact O-N 2.99Å
76Y59.2Low59.5Low153 Ų153116.4 Ų116.460%0.656%0.563SS**Hα-helixtrans-67.7-41.7171.173.2-105.6000113.2P74 L78 K79 E80P74-Y76 HydrophobicContact CB-CD1 3.22Å; P74-Y76 HydrophobicContact CB-CD2 4.19Å; P74-Y76 HydrophobicContact CB-CE1 3.02Å; P74-Y76 HydrophobicContact CB-CE2 4.01Å; P74-Y76 HydrophobicContact CB-CG 3.8Å; P74-Y76 VanDerWaalsContact CB-CZ 3.41Å; P74-Y76 HydrophobicContact CG-CD1 4.35Å; P74-Y76 HydrophobicContact CG-CE1 3.71Å; P74-Y76 HydrophobicContact CG-CE2 4.37Å; P74-Y76 CarbonylContact O-C 3.27Å; P74-Y76 PolarHBondContact O-N 3.31Å; Y76-L78 VanDerWaalsContact C-N 3.35Å; Y76-K79 PolarHBondContact O-N 3.15Å; Y76-E80 PolarHBondContact O-N 2.99Å
77L54.5Low59.6Low84 Ų84120.8 Ų120.844%0.4458%0.578SS.*Hα-helixtrans-65.2-39.8175.1-75.4177.4000111.2P74 K79 E80 Q81P74-L77 HydrophobicContact CB-CG 4.34Å; P74-L77 HydrophobicContact CG-CD1 3.8Å; P74-L77 HydrophobicContact CG-CG 4.13Å; P74-L77 PolarHBondContact O-N 2.93Å; L77-K79 VanDerWaalsContact C-N 3.35Å; L77-E80 PolarHBondContact O-N 2.93Å; L77-Q81 WeakPolarHBondContact O-CG 3.33Å; L77-Q81 PolarHBondContact O-N 2.86Å
78L58.4Low59.7Low76 Ų76121.5 Ų121.540%0.39859%0.587SS.*Hα-helixtrans-64.2-40.4174.8-67.2174.1000111.5P74 Y76 Q81 E82P74-L78 PolarHBondContact O-N 2.81Å; Y76-L78 VanDerWaalsContact C-N 3.35Å; L78-Q81 PolarHBondContact O-N 2.9Å; L78-E82 WeakPolarHBondContact O-CG 3.5Å; L78-E82 PolarHBondContact O-N 3.07Å
79K61.9Low59.3Low127 Ų127126.9 Ų126.955%0.55261%0.608SS**Hα-helixtrans-67.4-32174.6-78.5-176.7178-171.50113.4K75 Y76 L77 R83K75-K79 WeakPolarHBondContact O-CB 3.41Å; K75-K79 VanDerWaalsContact O-CG 3.3Å; K75-K79 WeakPolarHBondContact O-CG 3.43Å; K75-K79 PolarHBondContact O-N 2.99Å; Y76-K79 PolarHBondContact O-N 3.15Å; L77-K79 VanDerWaalsContact C-N 3.35Å; K79-R83 PolarHBondContact O-N 2.85Å; K79-R83 VanDerWaalsContact O-N 3.11Å
80E61.5Low59.5Low104 Ų104129 Ų12949%0.48662%0.616SS.*Hα-helixtrans-71.6-42.3173.5-80.6-178160.200111.2Y76 L77 E82 R83 E84Y76-E80 PolarHBondContact O-N 2.99Å; L77-E80 PolarHBondContact O-N 2.93Å; E80-E82 VanDerWaalsContact C-N 3.34Å; E80-E82 PolarHBondContact O-N 2.68Å; E80-R83 PolarHBondContact O-N 2.96Å; E80-E84 WeakPolarHBondContact O-CG 3.47Å; E80-E84 PolarHBondContact O-N 3.45Å
81Q55.1Low59.7Low113 Ų113130.6 Ų130.653%0.52862%0.617SS.*Hα-helixtrans-63.3-36.4173.5-73.7-171.7-13.300113.1L77 L78 K85L77-Q81 WeakPolarHBondContact O-CG 3.33Å; L77-Q81 PolarHBondContact O-N 2.86Å; L78-Q81 PolarHBondContact O-N 2.9Å; Q81-K85 WeakPolarHBondContact O-CB 3.31Å; Q81-K85 WeakPolarHBondContact O-CG 3.09Å; Q81-K85 PolarHBondContact O-N 3.28Å
82E65.6Low60Low138 Ų138129.8 Ų129.865%0.64561%0.609SS**Hα-helixtrans-67.2-38173.2-78.1-178.9167.800112.2L78 E80 S86L78-E82 WeakPolarHBondContact O-CG 3.5Å; L78-E82 PolarHBondContact O-N 3.07Å; E80-E82 VanDerWaalsContact C-N 3.34Å; E80-E82 PolarHBondContact O-N 2.68Å; E82-S86 WeakPolarHBondContact O-CB 3.17Å; E82-S86 PolarHBondContact O-N 3.5Å
83R62.6Low60.3Low182 Ų182133.2 Ų133.269%0.68762%0.615SS**Hα-helixtrans-65.4-44.5173.7-82.9-170-117.8-1700.8112.1K79 E80 K85 S86 F87K79-R83 PolarHBondContact O-N 2.85Å; K79-R83 VanDerWaalsContact O-N 3.11Å; E80-R83 PolarHBondContact O-N 2.96Å; R83-K85 PolarHBondContact O-N 3.36Å; R83-S86 PolarHBondContact O-N 3.13Å; R83-F87 PolarHBondContact O-N 3.47Å
84E69.8Low61Low131 Ų131134.2 Ų134.261%0.61262%0.619SS**Hα-helixtrans-64-40.8178.4-72.6-178.3178.400111.9E80 S86 F87 I88E80-E84 WeakPolarHBondContact O-CG 3.47Å; E80-E84 PolarHBondContact O-N 3.45Å; E84-S86 VanDerWaalsContact C-N 3.3Å; E84-S86 PolarHBondContact O-N 2.74Å; E84-F87 PolarHBondContact O-N 3.17Å; E84-I88 PolarHBondContact O-N 3.17Å
85K65.7Low61.6Low164 Ų164140.7 Ų140.771%0.71364%0.644SS**Hα-helixtrans-65-32.5174.4-76.5-179.9-178.7176.80113.2Q81 R83Q81-K85 WeakPolarHBondContact O-CB 3.31Å; Q81-K85 WeakPolarHBondContact O-CG 3.09Å; Q81-K85 PolarHBondContact O-N 3.28Å; R83-K85 PolarHBondContact O-N 3.36Å
86S68Low61.9Low89 Ų89138.5 Ų138.562%0.62264%0.637SS**Hα-helixtrans-75-24.7175.4-174.70000113.1E82 R83 E84E82-S86 WeakPolarHBondContact O-CB 3.17Å; E82-S86 PolarHBondContact O-N 3.5Å; R83-S86 PolarHBondContact O-N 3.13Å; E84-S86 VanDerWaalsContact C-N 3.3Å; E84-S86 PolarHBondContact O-N 2.74Å
87F67.3Low62.1Low181 Ų181137.4 Ų137.479%0.79464%0.64SS**Hα-helixtrans-83.8-21.2-178.4-162.8-95.1000113.2R83 E84 K89R83-F87 PolarHBondContact O-N 3.47Å; E84-F87 PolarHBondContact O-N 3.17Å; F87-K89 PolarHBondContact O-N 3.13Å
88I64.1Low62.7Low150 Ų150141.8 Ų141.877%0.76966%0.657SS**THydrogen-bonded Turntrans-859.5178.2-59.2167.7000112E84E84-I88 PolarHBondContact O-N 3.17Å
89K52.8Low63.1Low247 Ų247147.8 Ų147.8100%1.07468%0.68SS**  trans-106.70164.2-86.2-170176.9-177.20110.3F87F87-K89 PolarHBondContact O-N 3.13Å

Retrieved 89 of 89 residues in 71 ms (Link to these results)