G4VNU9_SCHMA Loading...

Protein SYS1 homolog

Involved in protein trafficking.

AlphaFold DB , UniProt , Accession G4VNU9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 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
1M44.7Very low60.8Low248 Ų248141 Ų141100%1.22277%0.768SS**  01090-78.1171.5156.600108.6
2A53.2Low63.2Low99 Ų99132.8 Ų132.882%0.81873%0.727SS**  trans-159.491.4156.500000106.1G4A2-G4 PolarHBondContact O-N 2.89Å
3S56.6Low65.5Low113 Ų113132.6 Ų132.679%0.7972%0.723SS**  trans-65.487161.352.20000106.4F5S3-F5 PolarHBondContact O-N 2.97Å
4G58.9Low67.3Low66 Ų66129.8 Ų129.868%0.6871%0.706SS**  trans-59.7109.616800000106.4A2 R6A2-G4 PolarHBondContact O-N 2.89Å; G4-R6 PolarHBondContact O-N 3.12Å
5F55.1Low69Low201 Ų201125.1 Ų125.188%0.88268%0.679SS**  trans-45.3114.1159-92.1-103000105.2S3 S7S3-F5 PolarHBondContact O-N 2.97Å; F5-S7 PolarHBondContact O-N 2.77Å
6R56.3Low70.6Confident240 Ų240123.5 Ų123.591%0.90667%0.669SS**  trans-60.6100.6164.4-77.3-155.4-72.1-145.3-0.8103.7G4 T8G4-R6 PolarHBondContact O-N 3.12Å; R6-T8 PolarHBondContact O-N 2.93Å; R6-T8 VanDerWaalsContact O-N 3.12Å
7S59.2Low72.1Confident79 Ų79120.4 Ų120.455%0.55266%0.658SS**  trans-51.6127.6161.262.20000103.7F5 V9F5-S7 PolarHBondContact O-N 2.77Å; S7-V9 WeakPolarHBondContact O-CG2 3.46Å; S7-V9 PolarHBondContact O-N 2.79Å
8T58.2Low73.4Confident137 Ų137115.6 Ų115.684%0.8463%0.63SS**  trans-52.4100.8152.146.60000103.3R6 W10R6-T8 PolarHBondContact O-N 2.93Å; R6-T8 VanDerWaalsContact O-N 3.12Å; T8-W10 PolarHBondContact O-N 2.74Å
9V66.4Low74.6Confident113 Ų113111.5 Ų111.569%0.68561%0.608SS**  trans-64.597.1-169179.80000105.2S7 D11S7-V9 WeakPolarHBondContact O-CG2 3.46Å; S7-V9 PolarHBondContact O-N 2.79Å; V9-D11 PolarHBondContact O-N 2.97Å
10W72.8Confident75.7Confident186 Ų186111 Ų11171%0.70560%0.603SS**  trans-64.3107.7169.9177.883.8000104.8T8 P12T8-W10 PolarHBondContact O-N 2.74Å; W10-P12 HydrophobicContact CE3-CB 4.11Å; W10-P12 VanDerWaalsContact CE3-CD 3.45Å; W10-P12 HydrophobicContact CE3-CG 3.82Å; W10-P12 HydrophobicContact CH2-CB 3.38Å; W10-P12 HydrophobicContact CH2-CG 3.83Å; W10-P12 HydrophobicContact CZ2-CB 3.86Å; W10-P12 HydrophobicContact CZ3-CB 3.49Å; W10-P12 VanDerWaalsContact CZ3-CB 3.49Å; W10-P12 HydrophobicContact CZ3-CG 3.35Å; W10-P12 WeakPolarHBondContact O-CD 3.2Å
11D87.8Confident76.8Confident69 Ų69111.1 Ų111.137%0.36960%0.598SS.*  trans-102.593.1-179.9-168.8-23.1000108.2V9 I13 L14 I15V9-D11 PolarHBondContact O-N 2.97Å; D11-I13 PolarHBondContact O-N 3.33Å; D11-I13 PolarHBondContact OD1-N 2.84Å; D11-L14 HydrophobicContact CB-CB 3.86Å; D11-L14 PolarHBondContact O-N 2.72Å; D11-L14 PolarHBondContact OD1-N 2.79Å; D11-L14 VanDerWaalsContact OD1-N 3.14Å; D11-I15 PolarHBondContact O-N 3.22Å
12P89.3Confident79.3Confident43 Ų4399.3 Ų99.328%0.27954%0.54SS..Hα-helixtrans-62-35.6-178.218.4-25.7000112.3W10 L14 I15 I16W10-P12 HydrophobicContact CE3-CB 4.11Å; W10-P12 VanDerWaalsContact CE3-CD 3.45Å; W10-P12 HydrophobicContact CE3-CG 3.82Å; W10-P12 HydrophobicContact CH2-CB 3.38Å; W10-P12 HydrophobicContact CH2-CG 3.83Å; W10-P12 HydrophobicContact CZ2-CB 3.86Å; W10-P12 HydrophobicContact CZ3-CB 3.49Å; W10-P12 VanDerWaalsContact CZ3-CB 3.49Å; W10-P12 HydrophobicContact CZ3-CG 3.35Å; W10-P12 WeakPolarHBondContact O-CD 3.2Å; P12-L14 VanDerWaalsContact C-N 3.29Å; P12-L14 PolarHBondContact O-N 2.78Å; P12-I15 PolarHBondContact O-N 3.4Å; P12-I16 WeakPolarHBondContact O-CB 3.29Å; P12-I16 VanDerWaalsContact O-CG1 3.26Å; P12-I16 WeakPolarHBondContact O-CG1 3.4Å; P12-I16 PolarHBondContact O-N 3.21Å
13I92.7Very high81.4Confident130 Ų13095.4 Ų95.467%0.66751%0.505SS*.Hα-helixtrans-66.4-41.4-176-61173.5000108.4D11 S17D11-I13 PolarHBondContact O-N 3.33Å; D11-I13 PolarHBondContact OD1-N 2.84Å; I13-S17 VanDerWaalsContact O-CB 3.27Å; I13-S17 WeakPolarHBondContact O-CB 3.34Å; I13-S17 PolarHBondContact O-N 2.77Å
14L91.6Very high83.3Confident93 Ų9393.1 Ų93.149%0.48749%0.488SS..Hα-helixtrans-59.1-50.9173.2-173.366.6000111.3D11 P12 I16 S17 Q18D11-L14 HydrophobicContact CB-CB 3.86Å; D11-L14 PolarHBondContact O-N 2.72Å; D11-L14 PolarHBondContact OD1-N 2.79Å; D11-L14 VanDerWaalsContact OD1-N 3.14Å; P12-L14 VanDerWaalsContact C-N 3.29Å; P12-L14 PolarHBondContact O-N 2.78Å; L14-I16 PolarHBondContact O-N 2.87Å; L14-S17 WeakPolarHBondContact O-CB 3.38Å; L14-S17 PolarHBondContact O-N 3.01Å; L14-Q18 VanDerWaalsContact O-CG 3.26Å; L14-Q18 WeakPolarHBondContact O-CG 3.46Å; L14-Q18 PolarHBondContact O-N 3.27Å
15I92.6Very high85.2Confident59 Ų5991.6 Ų91.630%0.30346%0.464SS..Hα-helixtrans-61.5-44.8-178.5-62.8170.4000111.3D11 P12 S17 Q18 I19D11-I15 PolarHBondContact O-N 3.22Å; P12-I15 PolarHBondContact O-N 3.4Å; I15-S17 VanDerWaalsContact C-N 3.33Å; I15-S17 PolarHBondContact O-N 3.41Å; I15-Q18 WeakPolarHBondContact O-CB 3.26Å; I15-Q18 PolarHBondContact O-N 2.92Å; I15-I19 HydrophobicContact CG2-CD1 4.05Å; I15-I19 WeakPolarHBondContact O-CG1 3.4Å; I15-I19 PolarHBondContact O-N 3.21Å
16I95Very high87.2Confident100 Ų10082.1 Ų82.151%0.51342%0.422SS..Hα-helixtrans-61.3-43.7177.3-68.5165.6000110.4P12 L14 Q18 I19 I20P12-I16 WeakPolarHBondContact O-CB 3.29Å; P12-I16 VanDerWaalsContact O-CG1 3.26Å; P12-I16 WeakPolarHBondContact O-CG1 3.4Å; P12-I16 PolarHBondContact O-N 3.21Å; L14-I16 PolarHBondContact O-N 2.87Å; I16-Q18 VanDerWaalsContact C-N 3.32Å; I16-Q18 PolarHBondContact O-N 3.3Å; I16-I19 PolarHBondContact O-N 3.32Å; I16-I20 HydrophobicContact CG2-CD1 3.75Å; I16-I20 HydrophobicContact CG2-CG1 4.38Å; I16-I20 WeakPolarHBondContact O-CG1 3.43Å; I16-I20 PolarHBondContact O-N 3.32Å
17S95.4Very high89.2Confident70 Ų7072.9 Ų72.949%0.4939%0.388SS..Hα-helixtrans-59.6-42.6175.9-176.90000111.9I13 L14 I15 I20 F21I13-S17 VanDerWaalsContact O-CB 3.27Å; I13-S17 WeakPolarHBondContact O-CB 3.34Å; I13-S17 PolarHBondContact O-N 2.77Å; L14-S17 WeakPolarHBondContact O-CB 3.38Å; L14-S17 PolarHBondContact O-N 3.01Å; I15-S17 VanDerWaalsContact C-N 3.33Å; I15-S17 PolarHBondContact O-N 3.41Å; S17-I20 PolarHBondContact O-N 3.49Å; S17-F21 VanDerWaalsContact O-CB 3.28Å; S17-F21 WeakPolarHBondContact O-CB 3.2Å; S17-F21 PolarHBondContact O-N 3.42Å
18Q95.5Very high91.1Very high34 Ų3474.6 Ų74.616%0.15939%0.39CS..Hα-helixtrans-62.7-42.8175.8-67.4179.2-30.600112.2L14 I15 I16 F21 M22 I85 F95L14-Q18 VanDerWaalsContact O-CG 3.26Å; L14-Q18 WeakPolarHBondContact O-CG 3.46Å; L14-Q18 PolarHBondContact O-N 3.27Å; I15-Q18 WeakPolarHBondContact O-CB 3.26Å; I15-Q18 PolarHBondContact O-N 2.92Å; I16-Q18 VanDerWaalsContact C-N 3.32Å; I16-Q18 PolarHBondContact O-N 3.3Å; Q18-F21 PolarHBondContact O-N 3.31Å; Q18-M22 WeakPolarHBondContact O-CB 3.29Å; Q18-M22 WeakPolarHBondContact O-CG 3.49Å; Q18-M22 PolarHBondContact O-N 3.39Å; Q18-I85 HydrophobicContact CB-CG2 3.72Å; Q18-I85 HydrophobicContact CG-CG2 3.36Å; Q18-I85 PolarHBondContact NE2-O 3.36Å; Q18-F95 HydrophobicContact CB-CE1 3.82Å; Q18-F95 HydrophobicContact CB-CZ 3.94Å
19I96.4Very high92.9Very high39 Ų3968.4 Ų68.420%0.235%0.352CS..Hα-helixtrans-62.4-50.1176.4-66.8167.1000110.1I15 I16 F21 M22 Q23 F95 T98I15-I19 HydrophobicContact CG2-CD1 4.05Å; I15-I19 WeakPolarHBondContact O-CG1 3.4Å; I15-I19 PolarHBondContact O-N 3.21Å; I16-I19 PolarHBondContact O-N 3.32Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 2.8Å; I19-M22 PolarHBondContact O-N 3.17Å; I19-Q23 HydrophobicContact CG2-CG 4.45Å; I19-Q23 VanDerWaalsContact O-CG 3.31Å; I19-Q23 WeakPolarHBondContact O-CG 3.37Å; I19-Q23 PolarHBondContact O-N 3.35Å; I19-F95 HydrophobicContact CG1-CD1 4.22Å; I19-F95 HydrophobicContact CG1-CE1 3.74Å; I19-T98 HydrophobicContact CD1-CG2 4.18Å; I19-T98 HydrophobicContact CG1-CG2 4.24Å; I19-T98 HydrophobicContact CG2-CG2 3.91Å
20I97.2Very high94.4Very high101 Ų10163 Ų6352%0.51832%0.319SS..Hα-helixtrans-59.1-45.4179.7-68.5168.8000110.4I16 S17 M22 Q23 C24I16-I20 HydrophobicContact CG2-CD1 3.75Å; I16-I20 HydrophobicContact CG2-CG1 4.38Å; I16-I20 WeakPolarHBondContact O-CG1 3.43Å; I16-I20 PolarHBondContact O-N 3.32Å; S17-I20 PolarHBondContact O-N 3.49Å; I20-M22 PolarHBondContact O-N 3.19Å; I20-Q23 WeakPolarHBondContact O-CB 3.31Å; I20-Q23 PolarHBondContact O-N 3.14Å; I20-C24 PolarHBondContact O-N 3.23Å; I20-C24 PolarHBondContact O-SG 3.04Å; I20-C24 VanDerWaalsContact O-SG 3.33Å
21F97.1Very high95.6Very high114 Ų11455.5 Ų55.550%0.530%0.3SS..Hα-helixtrans-64.1-42.7179.8-175-88.4000112S17 Q18 I19 Q23 C24 I25 I85S17-F21 VanDerWaalsContact O-CB 3.28Å; S17-F21 WeakPolarHBondContact O-CB 3.2Å; S17-F21 PolarHBondContact O-N 3.42Å; Q18-F21 PolarHBondContact O-N 3.31Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 2.8Å; F21-Q23 VanDerWaalsContact C-N 3.3Å; F21-Q23 PolarHBondContact O-N 3.38Å; F21-C24 WeakPolarHBondContact O-CB 3.49Å; F21-C24 PolarHBondContact O-N 3.45Å; F21-I25 HydrophobicContact CD1-CD1 3.75Å; F21-I25 HydrophobicContact CD1-CG1 4.27Å; F21-I25 HydrophobicContact CE1-CD1 3.31Å; F21-I25 HydrophobicContact CE1-CG1 4.05Å; F21-I25 HydrophobicContact CZ-CD1 4.12Å; F21-I25 PolarHBondContact O-N 3.33Å; F21-I85 HydrophobicContact CD1-CD1 3.21Å; F21-I85 HydrophobicContact CD1-CG1 4.15Å; F21-I85 HydrophobicContact CE1-CD1 3.6Å; F21-I85 HydrophobicContact CE1-CG1 4.18Å; F21-I85 HydrophobicContact CG-CD1 4.26Å
22M97.3Very high96Very high0 Ų055.8 Ų55.80%030%0.304CS..Hα-helixtrans-62.6-37.6174.4-78.5-54-53.300112.4Q18 I19 I20 I25 F26 C78 L82 I85 F95 I99Q18-M22 WeakPolarHBondContact O-CB 3.29Å; Q18-M22 WeakPolarHBondContact O-CG 3.49Å; Q18-M22 PolarHBondContact O-N 3.39Å; I19-M22 PolarHBondContact O-N 3.17Å; I20-M22 PolarHBondContact O-N 3.19Å; M22-I25 PolarHBondContact O-N 3.43Å; M22-I25 HydrophobicContact SD-CD1 4.34Å; M22-F26 WeakPolarHBondContact O-CB 3.29Å; M22-F26 PolarHBondContact O-N 3.41Å; M22-C78 HydrophobicContact CE-CB 4.13Å; M22-C78 WeakPolarHBondContact CE-O 3.35Å; M22-L82 HydrophobicContact CE-CD2 3.66Å; M22-L82 HydrophobicContact CE-CG 3.67Å; M22-L82 HydrophobicContact CG-CD2 4.12Å; M22-L82 HydrophobicContact SD-CD2 3.92Å; M22-L82 HydrophobicContact SD-CG 4.26Å; M22-I85 HydrophobicContact CG-CD1 3.74Å; M22-I85 HydrophobicContact SD-CD1 3.41Å; M22-I85 WeakPolarHBondContact SD-CD1 3.28Å; M22-F95 HydrophobicContact CG-CD1 4.44Å; M22-I99 HydrophobicContact CB-CD1 3.84Å; M22-I99 HydrophobicContact CB-CG1 4.09Å; M22-I99 HydrophobicContact CE-CD1 3.61Å; M22-I99 HydrophobicContact CG-CD1 4.39Å
23Q97.5Very high96.4Very high17 Ų1755.2 Ų55.28%0.07930%0.298CS..Hα-helixtrans-62.6-42173-71.4-65.875.600112I19 I20 F21 I25 F26 Y27 I99I19-Q23 HydrophobicContact CG2-CG 4.45Å; I19-Q23 VanDerWaalsContact O-CG 3.31Å; I19-Q23 WeakPolarHBondContact O-CG 3.37Å; I19-Q23 PolarHBondContact O-N 3.35Å; I20-Q23 WeakPolarHBondContact O-CB 3.31Å; I20-Q23 PolarHBondContact O-N 3.14Å; F21-Q23 VanDerWaalsContact C-N 3.3Å; F21-Q23 PolarHBondContact O-N 3.38Å; Q23-I25 PolarHBondContact O-N 3.01Å; Q23-F26 PolarHBondContact O-N 3.15Å; Q23-Y27 VanDerWaalsContact O-CD2 3.25Å; Q23-Y27 WeakPolarHBondContact O-CD2 3.34Å; Q23-Y27 PolarHBondContact O-N 2.77Å; Q23-I99 VanDerWaalsContact OE1-CA 3.25Å; Q23-I99 PolarHBondContact OE1-O 3.37Å
24C97.9Very high96.5Very high65 Ų6549.1 Ų49.144%0.43927%0.267SS..Hα-helixtrans-60.2-45.9173.9-66.80000111.7I20 F21 F26 Y27 I28I20-C24 PolarHBondContact O-N 3.23Å; I20-C24 PolarHBondContact O-SG 3.04Å; I20-C24 VanDerWaalsContact O-SG 3.33Å; F21-C24 WeakPolarHBondContact O-CB 3.49Å; F21-C24 PolarHBondContact O-N 3.45Å; C24-F26 VanDerWaalsContact C-N 3.33Å; C24-F26 PolarHBondContact O-N 3.05Å; C24-Y27 PolarHBondContact O-N 2.9Å; C24-I28 WeakPolarHBondContact O-CB 3.29Å; C24-I28 VanDerWaalsContact O-CG1 3.24Å; C24-I28 WeakPolarHBondContact O-CG1 3.43Å; C24-I28 PolarHBondContact O-N 3.43Å
25I97.9Very high96.8Very high34 Ų3445 Ų4517%0.17425%0.247CC..Hα-helixtrans-58.6-47.1176.1-70.9178.9000110.5F21 M22 Q23 Y27 S29 I77F21-I25 HydrophobicContact CD1-CD1 3.75Å; F21-I25 HydrophobicContact CD1-CG1 4.27Å; F21-I25 HydrophobicContact CE1-CD1 3.31Å; F21-I25 HydrophobicContact CE1-CG1 4.05Å; F21-I25 HydrophobicContact CZ-CD1 4.12Å; F21-I25 PolarHBondContact O-N 3.33Å; M22-I25 PolarHBondContact O-N 3.43Å; M22-I25 HydrophobicContact SD-CD1 4.34Å; Q23-I25 PolarHBondContact O-N 3.01Å; I25-Y27 PolarHBondContact O-N 2.96Å; I25-S29 VanDerWaalsContact O-CB 3.26Å; I25-S29 WeakPolarHBondContact O-CB 3.41Å; I25-S29 PolarHBondContact O-N 3.29Å; I25-S29 PolarHBondContact O-OG 3.35Å; I25-I77 HydrophobicContact CG2-CG2 4.25Å
26F98.1Very high97Very high1 Ų147.3 Ų47.30%0.00426%0.259CS..Hα-helixtrans-58-51.1-180177.9-95.2000111.6M22 Q23 C24 S29 A30 F71 T74 I99 H103M22-F26 WeakPolarHBondContact O-CB 3.29Å; M22-F26 PolarHBondContact O-N 3.41Å; Q23-F26 PolarHBondContact O-N 3.15Å; C24-F26 VanDerWaalsContact C-N 3.33Å; C24-F26 PolarHBondContact O-N 3.05Å; F26-S29 PolarHBondContact O-N 2.94Å; F26-S29 PolarHBondContact O-OG 3.43Å; F26-S29 VanDerWaalsContact O-OG 3.12Å; F26-A30 WeakPolarHBondContact O-CB 3.3Å; F26-A30 PolarHBondContact O-N 2.68Å; F26-F71 HydrophobicContact CZ-CD1 4.35Å; F26-F71 HydrophobicContact CZ-CE1 4.14Å; F26-T74 HydrophobicContact CD2-CG2 3.62Å; F26-T74 HydrophobicContact CE2-CG2 3.73Å; F26-T74 HydrophobicContact CG-CG2 4.42Å; F26-I99 HydrophobicContact CB-CG2 3.9Å; F26-I99 HydrophobicContact CD1-CG2 4.3Å; F26-I99 HydrophobicContact CD2-CG2 3.61Å; F26-I99 HydrophobicContact CE2-CG2 4.2Å; F26-I99 HydrophobicContact CG-CG2 3.66Å; F26-H103 HydrophobicContact CE1-CB 4.1Å; F26-H103 AromaticContact CE1-CG 3.81Å; F26-H103 AromaticContact CE1-ND1 3.59Å; F26-H103 HydrophobicContact CZ-CB 4.47Å
27Y97.8Very high97.1Very high47 Ų4743.9 Ų43.918%0.18424%0.242CC..Hα-helixtrans-70.2-38.3-178.3-78.5-66000113.9Q23 C24 I25 G31 I51 F52 H103 F106Q23-Y27 VanDerWaalsContact O-CD2 3.25Å; Q23-Y27 WeakPolarHBondContact O-CD2 3.34Å; Q23-Y27 PolarHBondContact O-N 2.77Å; C24-Y27 PolarHBondContact O-N 2.9Å; I25-Y27 PolarHBondContact O-N 2.96Å; Y27-G31 PolarHBondContact O-N 2.99Å; Y27-I51 HydrophobicContact CD1-CG2 4.26Å; Y27-I51 HydrophobicContact CE1-CG2 4.08Å; Y27-F52 HydrophobicContact CD1-CE1 4.42Å; Y27-F52 HydrophobicContact CD1-CZ 4.01Å; Y27-F52 AromaticContact CE1-CE1 3.45Å; Y27-F52 HydrophobicContact CE1-CE1 3.45Å; Y27-F52 VanDerWaalsContact CE1-CE1 3.45Å; Y27-F52 AromaticContact CE1-CZ 3.46Å; Y27-F52 HydrophobicContact CE1-CZ 3.46Å; Y27-F52 VanDerWaalsContact CE1-CZ 3.46Å; Y27-F52 AromaticContact CZ-CE1 3.81Å; Y27-H103 AromaticContact CE1-ND1 3.76Å; Y27-H103 AromaticContact CZ-ND1 3.73Å; Y27-H103 WeakPolarHBondContact OH-CA 3.24Å; Y27-H103 PolarHBondContact OH-ND1 3.1Å; Y27-F106 AromaticContact CE2-CD2 3.88Å; Y27-F106 HydrophobicContact CE2-CD2 3.88Å; Y27-F106 HydrophobicContact CE2-CE2 4.16Å; Y27-F106 AromaticContact CZ-CD2 3.89Å; Y27-F106 VanDerWaalsContact OH-CD2 3.29Å; Y27-F106 WeakPolarHBondContact OH-CD2 3.4Å
28I97.9Very high97.1Very high115 Ų11540.7 Ų40.759%0.5922%0.219SC*.Hα-helixtrans-65-45.6175.7-69.5169.1000110C24 T32C24-I28 WeakPolarHBondContact O-CB 3.29Å; C24-I28 VanDerWaalsContact O-CG1 3.24Å; C24-I28 WeakPolarHBondContact O-CG1 3.43Å; C24-I28 PolarHBondContact O-N 3.43Å; I28-T32 HydrophobicContact CG2-CG2 4.39Å; I28-T32 WeakPolarHBondContact O-CB 3.26Å; I28-T32 VanDerWaalsContact O-CG2 3.25Å; I28-T32 WeakPolarHBondContact O-CG2 3.38Å; I28-T32 PolarHBondContact O-N 3.27Å; I28-T32 PolarHBondContact O-OG1 3.47Å
29S97.7Very high97.2Very high7 Ų743.4 Ų43.45%0.04923%0.234CC..Hα-helixtrans-70.4-43.1-18058.80000112.2I25 F26 G31 T32 I33 T74I25-S29 VanDerWaalsContact O-CB 3.26Å; I25-S29 WeakPolarHBondContact O-CB 3.41Å; I25-S29 PolarHBondContact O-N 3.29Å; I25-S29 PolarHBondContact O-OG 3.35Å; F26-S29 PolarHBondContact O-N 2.94Å; F26-S29 PolarHBondContact O-OG 3.43Å; F26-S29 VanDerWaalsContact O-OG 3.12Å; S29-G31 PolarHBondContact O-N 3.16Å; S29-T32 WeakPolarHBondContact CA-OG1 3.34Å; S29-T32 PolarHBondContact O-N 2.83Å; S29-T32 PolarHBondContact O-OG1 3.32Å; S29-I33 VanDerWaalsContact O-CB 3.25Å; S29-I33 WeakPolarHBondContact O-CB 3.46Å; S29-I33 WeakPolarHBondContact O-CD1 3.41Å; S29-I33 WeakPolarHBondContact O-CG1 3.34Å; S29-I33 PolarHBondContact O-N 3.44Å; S29-T74 WeakPolarHBondContact OG-CG2 3.44Å
30A97.4Very high97.1Very high0 Ų046.4 Ų46.40%025%0.249CC..Hα-helixtrans-59.3-46173.600000111.9F26 S34 F71 T74F26-A30 WeakPolarHBondContact O-CB 3.3Å; F26-A30 PolarHBondContact O-N 2.68Å; A30-S34 WeakPolarHBondContact O-CB 3.27Å; A30-S34 PolarHBondContact O-N 3.5Å; A30-S34 PolarHBondContact O-OG 2.97Å; A30-F71 HydrophobicContact CB-CE1 4.44Å; A30-T74 WeakPolarHBondContact CA-OG1 3.48Å; A30-T74 HydrophobicContact CB-CG2 4.03Å
31G96.6Very high97.1Very high28 Ų2848 Ų4829%0.28925%0.253SS..Hα-helixtrans-66.7-44.4179.100000113.4Y27 S29 G35Y27-G31 PolarHBondContact O-N 2.99Å; S29-G31 PolarHBondContact O-N 3.16Å; G31-G35 WeakPolarHBondContact O-CA 3.29Å; G31-G35 PolarHBondContact O-N 2.93Å
32T97.1Very high96.8Very high75 Ų7543.5 Ų43.546%0.4624%0.236SC..Hα-helixtrans-68.7-48.2179.150.60000111.9I28 S29 L36I28-T32 HydrophobicContact CG2-CG2 4.39Å; I28-T32 WeakPolarHBondContact O-CB 3.26Å; I28-T32 VanDerWaalsContact O-CG2 3.25Å; I28-T32 WeakPolarHBondContact O-CG2 3.38Å; I28-T32 PolarHBondContact O-N 3.27Å; I28-T32 PolarHBondContact O-OG1 3.47Å; S29-T32 WeakPolarHBondContact CA-OG1 3.34Å; S29-T32 PolarHBondContact O-N 2.83Å; S29-T32 PolarHBondContact O-OG1 3.32Å; T32-L36 WeakPolarHBondContact O-CB 3.44Å; T32-L36 WeakPolarHBondContact O-CG 3.29Å; T32-L36 PolarHBondContact O-N 3.43Å
33I97.6Very high96.6Very high31 Ų3151.2 Ų51.216%0.15927%0.271CS..Hα-helixtrans-65-54.5-179.7-63.5168.7000110S29 G35 L36 L37 L73 I77S29-I33 VanDerWaalsContact O-CB 3.25Å; S29-I33 WeakPolarHBondContact O-CB 3.46Å; S29-I33 WeakPolarHBondContact O-CD1 3.41Å; S29-I33 WeakPolarHBondContact O-CG1 3.34Å; S29-I33 PolarHBondContact O-N 3.44Å; I33-G35 VanDerWaalsContact C-N 3.32Å; I33-G35 PolarHBondContact O-N 2.71Å; I33-L36 PolarHBondContact O-N 2.91Å; I33-L37 HydrophobicContact CG2-CD1 4.06Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.41Å; I33-L37 PolarHBondContact O-N 3.44Å; I33-L73 HydrophobicContact CD1-CB 4.15Å; I33-L73 HydrophobicContact CG2-CB 4Å; I33-L73 HydrophobicContact CG2-CD1 4.08Å; I33-I77 HydrophobicContact CD1-CG1 4.15Å
34S96Very high96.2Very high2 Ų253.4 Ų53.41%0.01428%0.284CS..Hα-helixtrans-63.4-41.4-178.2-54.30000111.1A30 L36 L37 L38A30-S34 WeakPolarHBondContact O-CB 3.27Å; A30-S34 PolarHBondContact O-N 3.5Å; A30-S34 PolarHBondContact O-OG 2.97Å; S34-L36 PolarHBondContact O-N 3.24Å; S34-L37 PolarHBondContact O-N 3.45Å; S34-L38 WeakPolarHBondContact O-CB 3.23Å; S34-L38 WeakPolarHBondContact O-CD1 3.39Å; S34-L38 WeakPolarHBondContact O-CG 3.23Å; S34-L38 PolarHBondContact O-N 3.22Å
35G96.2Very high95.9Very high7 Ų756.8 Ų56.87%0.07230%0.297CS..Hα-helixtrans-63.4-41.6178.400000113.2G31 I33 L38 I39G31-G35 WeakPolarHBondContact O-CA 3.29Å; G31-G35 PolarHBondContact O-N 2.93Å; I33-G35 VanDerWaalsContact C-N 3.32Å; I33-G35 PolarHBondContact O-N 2.71Å; G35-L38 PolarHBondContact O-N 2.92Å; G35-I39 VanDerWaalsContact O-CG1 3.26Å; G35-I39 WeakPolarHBondContact O-CG1 3.31Å; G35-I39 PolarHBondContact O-N 2.96Å
36L97.2Very high95.6Very high106 Ų10658 Ų5856%0.55531%0.307SS*.Hα-helixtrans-64.4-43.6173.7-72.3173.1000111.7T32 I33 S34 L38 I39 I40T32-L36 WeakPolarHBondContact O-CB 3.44Å; T32-L36 WeakPolarHBondContact O-CG 3.29Å; T32-L36 PolarHBondContact O-N 3.43Å; I33-L36 PolarHBondContact O-N 2.91Å; S34-L36 PolarHBondContact O-N 3.24Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 3.21Å; L36-I39 PolarHBondContact O-N 2.89Å; L36-I40 WeakPolarHBondContact O-CB 3.43Å; L36-I40 WeakPolarHBondContact O-CD1 3.34Å; L36-I40 WeakPolarHBondContact O-CG1 3.45Å; L36-I40 PolarHBondContact O-N 3.4Å
37L96.6Very high95.5Very high29 Ų2961.1 Ų61.115%0.15233%0.326CS..Hα-helixtrans-60.7-43.1177.3-69.9175.8000111.6I33 S34 I40 F41 C66 I69I33-L37 HydrophobicContact CG2-CD1 4.06Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.41Å; I33-L37 PolarHBondContact O-N 3.44Å; S34-L37 PolarHBondContact O-N 3.45Å; L37-I40 PolarHBondContact O-N 2.97Å; L37-F41 HydrophobicContact CB-CD2 4.38Å; L37-F41 HydrophobicContact CD2-CD2 3.86Å; L37-F41 HydrophobicContact CD2-CE2 3.58Å; L37-F41 WeakPolarHBondContact O-CB 3.31Å; L37-F41 WeakPolarHBondContact O-CD2 3.28Å; L37-F41 PolarHBondContact O-N 3.46Å; L37-C66 HydrophobicContact CB-CB 4.06Å; L37-C66 WeakPolarHBondContact CD1-O 3.35Å; L37-I69 HydrophobicContact CD1-CB 4.18Å; L37-I69 HydrophobicContact CD1-CG2 3.91Å
38L96.5Very high95.2Very high2 Ų264 Ų641%0.0134%0.344CS..Iπ-helixtrans-64.2-47.2178.4-69.9161.1000112.1S34 G35 L36 I40 S42 H43 M50 I63 C66 L67S34-L38 WeakPolarHBondContact O-CB 3.23Å; S34-L38 WeakPolarHBondContact O-CD1 3.39Å; S34-L38 WeakPolarHBondContact O-CG 3.23Å; S34-L38 PolarHBondContact O-N 3.22Å; G35-L38 PolarHBondContact O-N 2.92Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 3.21Å; L38-I40 VanDerWaalsContact C-N 3.28Å; L38-I40 PolarHBondContact O-N 2.98Å; L38-S42 WeakPolarHBondContact CD2-OG 3.31Å; L38-S42 CarbonylContact O-C 3.56Å; L38-S42 WeakPolarHBondContact O-CA 3.5Å; L38-S42 PolarHBondContact O-N 3.37Å; L38-S42 PolarHBondContact O-OG 2.9Å; L38-S42 VanDerWaalsContact O-OG 3.1Å; L38-H43 PolarHBondContact O-N 2.93Å; L38-M50 HydrophobicContact CD1-CB 4.41Å; L38-M50 HydrophobicContact CD1-CE 4.3Å; L38-M50 HydrophobicContact CD1-CG 4.43Å; L38-M50 HydrophobicContact CD1-SD 3.21Å; L38-M50 WeakPolarHBondContact CD1-SD 3.4Å; L38-M50 HydrophobicContact CD2-SD 4.31Å; L38-M50 HydrophobicContact CG-SD 4.32Å; L38-I63 HydrophobicContact CD2-CB 4.29Å; L38-I63 HydrophobicContact CD2-CG1 4.4Å; L38-I63 HydrophobicContact CD2-CG2 3.81Å; L38-C66 HydrophobicContact CD2-CB 3.96Å; L38-C66 HydrophobicContact CG-CB 4.31Å; L38-L67 HydrophobicContact CD1-CD2 4.04Å
39I96.4Very high95Very high91 Ų9161.2 Ų61.247%0.46733%0.33SS..Iπ-helixtrans-60.6-40.4178.4-69.2167.3000111.1G35 L36 P46G35-I39 VanDerWaalsContact O-CG1 3.26Å; G35-I39 WeakPolarHBondContact O-CG1 3.31Å; G35-I39 PolarHBondContact O-N 2.96Å; L36-I39 PolarHBondContact O-N 2.89Å; I39-P46 HydrophobicContact CD1-CG 4.13Å; I39-P46 HydrophobicContact CG1-CG 4.45Å
40I96.1Very high94.8Very high102 Ų10261.9 Ų61.952%0.52333%0.333SS..Iπ-helixtrans-78.4-43.5-175.3-66.8167.1000112L36 L37 L38L36-I40 WeakPolarHBondContact O-CB 3.43Å; L36-I40 WeakPolarHBondContact O-CD1 3.34Å; L36-I40 WeakPolarHBondContact O-CG1 3.45Å; L36-I40 PolarHBondContact O-N 3.4Å; L37-I40 PolarHBondContact O-N 2.97Å; L38-I40 VanDerWaalsContact C-N 3.28Å; L38-I40 PolarHBondContact O-N 2.98Å
41F95.4Very high94.7Very high134 Ų13462.8 Ų62.859%0.58834%0.338SS*.Iπ-helixtrans-108.1-33.1-167.6-65.6-74.2000114.6L37L37-F41 HydrophobicContact CB-CD2 4.38Å; L37-F41 HydrophobicContact CD2-CD2 3.86Å; L37-F41 HydrophobicContact CD2-CE2 3.58Å; L37-F41 WeakPolarHBondContact O-CB 3.31Å; L37-F41 WeakPolarHBondContact O-CD2 3.28Å; L37-F41 PolarHBondContact O-N 3.46Å
42S92.6Very high94.7Very high20 Ų2062.9 Ų62.914%0.1433%0.33CS..Iπ-helixtrans-102.9-12.9179.585.30000113.2L38 D44L38-S42 WeakPolarHBondContact CD2-OG 3.31Å; L38-S42 CarbonylContact O-C 3.56Å; L38-S42 WeakPolarHBondContact O-CA 3.5Å; L38-S42 PolarHBondContact O-N 3.37Å; L38-S42 PolarHBondContact O-OG 2.9Å; L38-S42 VanDerWaalsContact O-OG 3.1Å; S42-D44 VanDerWaalsContact CB-OD2 3.28Å; S42-D44 WeakPolarHBondContact CB-OD2 3.17Å; S42-D44 PolarHBondContact O-N 3.05Å; S42-D44 VanDerWaalsContact O-N 3.17Å; S42-D44 WeakPolarHBondContact OG-CB 3.18Å; S42-D44 PolarHBondContact OG-N 2.8Å; S42-D44 PolarHBondContact OG-OD2 3.21Å
43H91.8Very high94.5Very high162 Ų16260.9 Ų60.975%0.7532%0.316SS*.  trans56.121.5-173.4-57.4-73000113.5L38L38-H43 PolarHBondContact O-N 2.93Å
44D90.2Very high94.3Very high63 Ų6360 Ų6034%0.33731%0.312SS..PPolyproline II helixtrans-94.5154.5177-66.1-66.5000111.7S42 M50 I63S42-D44 VanDerWaalsContact CB-OD2 3.28Å; S42-D44 WeakPolarHBondContact CB-OD2 3.17Å; S42-D44 PolarHBondContact O-N 3.05Å; S42-D44 VanDerWaalsContact O-N 3.17Å; S42-D44 WeakPolarHBondContact OG-CB 3.18Å; S42-D44 PolarHBondContact OG-N 2.8Å; S42-D44 PolarHBondContact OG-OD2 3.21Å; D44-M50 HydrophobicContact CB-CE 3.98Å; D44-I63 WeakPolarHBondContact OD2-CD1 3.3Å; D44-I63 WeakPolarHBondContact OD2-CG1 3.14Å
45L91.3Very high94Very high137 Ų13763.8 Ų63.872%0.71734%0.338SS*.PPolyproline II helixtrans-79.6128.5178.6-163.273.1000110.5T47 M50L45-T47 PolarHBondContact O-N 3.46Å; L45-T47 PolarHBondContact O-OG1 3.03Å; L45-M50 WeakPolarHBondContact O-CE 3.37Å
46P91.9Very high93.8Very high58 Ų5867.8 Ų67.838%0.37735%0.354SS..PPolyproline II helixtrans-62.5121.4176.625.5-33.9000110.5I39I39-P46 HydrophobicContact CD1-CG 4.13Å; I39-P46 HydrophobicContact CG1-CG 4.45Å
47T94.4Very high93.5Very high67 Ų6762.9 Ų62.941%0.41133%0.328SS..  trans-127.3151.9179-52.50000109.6L45 D49 M50L45-T47 PolarHBondContact O-N 3.46Å; L45-T47 PolarHBondContact O-OG1 3.03Å; T47-D49 HydrophobicContact CG2-CB 4.18Å; T47-D49 PolarHBondContact O-N 3.36Å; T47-M50 VanDerWaalsContact O-CB 3.32Å; T47-M50 WeakPolarHBondContact O-CB 3.41Å; T47-M50 PolarHBondContact O-N 3.3Å
48L93Very high93.2Very high108 Ų10866.5 Ų66.557%0.56534%0.344SS*.THydrogen-bonded Turntrans-57.5-31.7178.6-66.9173.7000112.6M50 I51 F52 Y110L48-M50 PolarHBondContact O-N 2.93Å; L48-M50 VanDerWaalsContact O-N 3.08Å; L48-I51 PolarHBondContact O-N 3.47Å; L48-F52 HydrophobicContact CB-CD2 4.26Å; L48-F52 HydrophobicContact CD2-CE2 4.21Å; L48-F52 WeakPolarHBondContact O-CD2 3.43Å; L48-F52 PolarHBondContact O-N 2.89Å; L48-F52 VanDerWaalsContact O-N 3.14Å; L48-Y110 HydrophobicContact CB-CE2 4.44Å
49D93.6Very high92.9Very high56 Ų5670.2 Ų70.230%0.29936%0.36SS..Hα-helixtrans-49.2-35.3172.7-72.8-0.6000113T47 I51 I53 Y110T47-D49 HydrophobicContact CG2-CB 4.18Å; T47-D49 PolarHBondContact O-N 3.36Å; D49-I51 VanDerWaalsContact C-N 3.26Å; D49-I51 PolarHBondContact O-N 2.82Å; D49-I53 HydrophobicContact CB-CD1 3.73Å; D49-I53 HydrophobicContact CB-CG1 4.31Å; D49-I53 WeakPolarHBondContact O-CB 3.4Å; D49-I53 WeakPolarHBondContact O-CG1 3.26Å; D49-I53 PolarHBondContact O-N 3.42Å; D49-Y110 VanDerWaalsContact OD1-CE1 3.28Å; D49-Y110 WeakPolarHBondContact OD1-CE1 3.41Å; D49-Y110 VanDerWaalsContact OD1-CZ 3.3Å; D49-Y110 PolarHBondContact OD1-OH 2.88Å
50M93.2Very high92.5Very high22 Ų2271.1 Ų71.111%0.10837%0.372CS..Hα-helixtrans-73.5-19.8-175.9-59.8174.6162.400113L38 D44 L45 T47 L48 L67L38-M50 HydrophobicContact CD1-CB 4.41Å; L38-M50 HydrophobicContact CD1-CE 4.3Å; L38-M50 HydrophobicContact CD1-CG 4.43Å; L38-M50 HydrophobicContact CD1-SD 3.21Å; L38-M50 WeakPolarHBondContact CD1-SD 3.4Å; L38-M50 HydrophobicContact CD2-SD 4.31Å; L38-M50 HydrophobicContact CG-SD 4.32Å; D44-M50 HydrophobicContact CB-CE 3.98Å; L45-M50 WeakPolarHBondContact O-CE 3.37Å; T47-M50 VanDerWaalsContact O-CB 3.32Å; T47-M50 WeakPolarHBondContact O-CB 3.41Å; T47-M50 PolarHBondContact O-N 3.3Å; L48-M50 PolarHBondContact O-N 2.93Å; L48-M50 VanDerWaalsContact O-N 3.08Å; M50-L67 HydrophobicContact CB-CD1 4.15Å; M50-L67 HydrophobicContact CB-CD2 3.95Å; M50-L67 WeakPolarHBondContact O-CD1 3.34Å; M50-L67 WeakPolarHBondContact O-CD2 3.38Å
51I95.1Very high92.3Very high19 Ų1970.3 Ų70.310%0.09737%0.369CS..Hα-helixtrans-95-38.3177.1-60.3175.7000110.6Y27 L48 D49 F71Y27-I51 HydrophobicContact CD1-CG2 4.26Å; Y27-I51 HydrophobicContact CE1-CG2 4.08Å; L48-I51 PolarHBondContact O-N 3.47Å; D49-I51 VanDerWaalsContact C-N 3.26Å; D49-I51 PolarHBondContact O-N 2.82Å; I51-F71 HydrophobicContact CG2-CZ 4.04Å
52F95.9Very high92.2Very high30 Ų3067.7 Ų67.713%0.13237%0.367CS..Hα-helixtrans-103.1-14.8-168.4-65.5-72.3000115.3Y27 L48 F106 Y110Y27-F52 HydrophobicContact CD1-CE1 4.42Å; Y27-F52 HydrophobicContact CD1-CZ 4.01Å; Y27-F52 AromaticContact CE1-CE1 3.45Å; Y27-F52 HydrophobicContact CE1-CE1 3.45Å; Y27-F52 VanDerWaalsContact CE1-CE1 3.45Å; Y27-F52 AromaticContact CE1-CZ 3.46Å; Y27-F52 HydrophobicContact CE1-CZ 3.46Å; Y27-F52 VanDerWaalsContact CE1-CZ 3.46Å; Y27-F52 AromaticContact CZ-CE1 3.81Å; L48-F52 HydrophobicContact CB-CD2 4.26Å; L48-F52 HydrophobicContact CD2-CE2 4.21Å; L48-F52 WeakPolarHBondContact O-CD2 3.43Å; L48-F52 PolarHBondContact O-N 2.89Å; L48-F52 VanDerWaalsContact O-N 3.14Å; F52-F106 HydrophobicContact CD1-CB 4.27Å; F52-F106 HydrophobicContact CE1-CB 3.87Å; F52-Y110 HydrophobicContact CB-CD1 3.44Å; F52-Y110 VanDerWaalsContact CB-CD1 3.44Å; F52-Y110 HydrophobicContact CB-CD2 4.26Å; F52-Y110 HydrophobicContact CB-CE1 4.08Å; F52-Y110 HydrophobicContact CB-CG 3.55Å; F52-Y110 HydrophobicContact CD2-CD2 4.31Å; F52-Y110 HydrophobicContact CD2-CG 4.43Å; F52-Y110 HydrophobicContact CG-CD1 4.39Å; F52-Y110 HydrophobicContact CG-CD2 4.38Å; F52-Y110 HydrophobicContact CG-CG 4.08Å
53I94.4Very high92.3Very high32 Ų3269.2 Ų69.216%0.16437%0.373CS..  trans-100.6115.8178.8-57.5-179.3000110D49 S55 K56 Y110D49-I53 HydrophobicContact CB-CD1 3.73Å; D49-I53 HydrophobicContact CB-CG1 4.31Å; D49-I53 WeakPolarHBondContact O-CB 3.4Å; D49-I53 WeakPolarHBondContact O-CG1 3.26Å; D49-I53 PolarHBondContact O-N 3.42Å; I53-S55 VanDerWaalsContact C-N 3.31Å; I53-S55 WeakPolarHBondContact CG2-OG 3.31Å; I53-S55 PolarHBondContact O-N 2.82Å; I53-K56 HydrophobicContact CB-CG 4.07Å; I53-K56 HydrophobicContact CG2-CG 4.17Å; I53-K56 PolarHBondContact O-N 3.09Å; I53-Y110 HydrophobicContact CD1-CE1 4.06Å; I53-Y110 HydrophobicContact CG1-CD1 3.95Å; I53-Y110 HydrophobicContact CG1-CE1 3.84Å
54D92.5Very high92.4Very high14 Ų1461.5 Ų61.58%0.07534%0.337CS..G310 helixtrans-65.1-31.5-177.173.2-55.2000113.5K56 I57 P115 K116 S117 W120D54-K56 PolarHBondContact O-N 3Å; D54-K56 VanDerWaalsContact O-N 3.13Å; D54-I57 PolarHBondContact O-N 3.44Å; D54-P115 HydrophobicContact CB-CB 3.92Å; D54-P115 WeakPolarHBondContact OD2-CA 3.26Å; D54-K116 PolarHBondContact OD2-N 3.48Å; D54-S117 WeakPolarHBondContact O-CB 3.16Å; D54-S117 WeakPolarHBondContact OD2-CB 3.25Å; D54-S117 PolarHBondContact OD2-N 2.93Å; D54-W120 HydrophobicContact CB-CB 3.94Å; D54-W120 HydrophobicContact CB-CD2 4.39Å; D54-W120 HydrophobicContact CB-CG 3.75Å
55S90.1Very high92.7Very high81 Ų8161.8 Ų61.857%0.56634%0.338SS*.G310 helixtrans-66.5-10.7179.766.90000114.2I53I53-S55 VanDerWaalsContact C-N 3.31Å; I53-S55 WeakPolarHBondContact CG2-OG 3.31Å; I53-S55 PolarHBondContact O-N 2.82Å
56K91.2Very high92.9Very high91 Ų9155.7 Ų55.740%0.39631%0.306SS..G310 helixtrans-79.7-20.7175-60-61.4-176.81770113.3I53 D54 H58 G64 L67I53-K56 HydrophobicContact CB-CG 4.07Å; I53-K56 HydrophobicContact CG2-CG 4.17Å; I53-K56 PolarHBondContact O-N 3.09Å; D54-K56 PolarHBondContact O-N 3Å; D54-K56 VanDerWaalsContact O-N 3.13Å; K56-H58 PolarHBondContact O-N 3.23Å; K56-G64 WeakPolarHBondContact O-CA 3.29Å; K56-L67 HydrophobicContact CB-CD1 3.87Å
57I91.1Very high93.1Very high3 Ų352.9 Ų52.92%0.01529%0.289CS..  trans-89.379.5175.7-49.8-176.8000108.1D54 L67 F68 F71 S117 L119 V123D54-I57 PolarHBondContact O-N 3.44Å; I57-L67 HydrophobicContact CG1-CB 4.18Å; I57-L67 HydrophobicContact CG1-CD1 4.32Å; I57-F68 HydrophobicContact CG2-CB 4.38Å; I57-F68 HydrophobicContact CG2-CD2 4.35Å; I57-F71 HydrophobicContact CD1-CD2 4.15Å; I57-F71 HydrophobicContact CD1-CE2 4.2Å; I57-S117 PolarHBondContact O-OG 2.78Å; I57-L119 HydrophobicContact CG2-CB 3.89Å; I57-V123 HydrophobicContact CD1-CG1 4.11Å
58H90.4Very high93.2Very high105 Ų10551.5 Ų51.549%0.48628%0.277SS..  trans-122.4144.5176.4-168.172.6000110.9K56 D61 G64K56-H58 PolarHBondContact O-N 3.23Å; H58-D61 IonicContact CD2-OD2 3.6Å; H58-D61 PolarHBondContact O-N 3.08Å; H58-G64 WeakPolarHBondContact O-CA 3.43Å
59F89.9Confident93.4Very high80 Ų8049.9 Ų49.935%0.35127%0.268SS..SBendtrans-110.6139.8174.7-70.2-15.8000110.1I65 F68 L119F59-I65 HydrophobicContact CD1-CG1 3.78Å; F59-I65 HydrophobicContact CE1-CB 4.43Å; F59-I65 HydrophobicContact CE1-CG1 3.81Å; F59-F68 HydrophobicContact CE1-CB 3.83Å; F59-F68 HydrophobicContact CE1-CG 4.1Å; F59-F68 HydrophobicContact CZ-CB 3.78Å; F59-F68 AromaticContact CZ-CD1 3.78Å; F59-F68 HydrophobicContact CZ-CD1 3.78Å; F59-F68 AromaticContact CZ-CD2 3.82Å; F59-F68 HydrophobicContact CZ-CD2 3.82Å; F59-F68 HydrophobicContact CZ-CE1 4.27Å; F59-F68 HydrophobicContact CZ-CE2 4.33Å; F59-F68 AromaticContact CZ-CG 3.52Å; F59-F68 HydrophobicContact CZ-CG 3.52Å; F59-L119 HydrophobicContact CB-CD1 4.09Å; F59-L119 HydrophobicContact CD1-CD1 4.08Å; F59-L119 HydrophobicContact CD2-CD1 3.79Å; F59-L119 HydrophobicContact CD2-CD2 3.96Å; F59-L119 HydrophobicContact CE1-CD1 4.48Å; F59-L119 HydrophobicContact CE2-CD1 4.24Å; F59-L119 HydrophobicContact CE2-CD2 3.91Å; F59-L119 HydrophobicContact CG-CD1 3.7Å
60P87.9Confident93.6Very high109 Ų10947.2 Ų47.271%0.70825%0.254SS*.SBendcis-97.222.213.437.8-36.3000115.8S62P60-S62 PolarHBondContact O-N 3.41Å
61D91.9Very high93.8Very high86 Ų8646.4 Ų46.446%0.4625%0.25SC..  trans-56.6133.4-176.3-62.7-26.3000112.6H58 I63 G64 I65H58-D61 IonicContact CD2-OD2 3.6Å; H58-D61 PolarHBondContact O-N 3.08Å; D61-I63 VanDerWaalsContact C-N 3.25Å; D61-I63 PolarHBondContact O-N 3.29Å; D61-G64 WeakPolarHBondContact O-CA 3.22Å; D61-G64 PolarHBondContact O-N 2.79Å; D61-I65 PolarHBondContact O-N 3.39Å
62S93Very high93.9Very high78 Ų7847.1 Ų47.155%0.54525%0.254SS..Hα-helixtrans-56.4-40.6-179.5-56.40000112.3P60 I65 C66P60-S62 PolarHBondContact O-N 3.41Å; S62-I65 PolarHBondContact O-N 3.31Å; S62-C66 PolarHBondContact O-N 3.25Å; S62-C66 PolarHBondContact O-SG 2.85Å
63I94.9Very high94Very high52 Ų5249.1 Ų49.127%0.26727%0.265SS..Hα-helixtrans-59.4-49.8174.4-62.1173.1000110L38 D44 D61 I65 C66 L67L38-I63 HydrophobicContact CD2-CB 4.29Å; L38-I63 HydrophobicContact CD2-CG1 4.4Å; L38-I63 HydrophobicContact CD2-CG2 3.81Å; D44-I63 WeakPolarHBondContact OD2-CD1 3.3Å; D44-I63 WeakPolarHBondContact OD2-CG1 3.14Å; D61-I63 VanDerWaalsContact C-N 3.25Å; D61-I63 PolarHBondContact O-N 3.29Å; I63-I65 VanDerWaalsContact C-N 3.32Å; I63-I65 PolarHBondContact O-N 3.5Å; I63-C66 WeakPolarHBondContact O-CB 3.26Å; I63-C66 PolarHBondContact O-N 3.49Å; I63-C66 VanDerWaalsContact O-N 3.16Å; I63-L67 HydrophobicContact CG2-CD1 3.97Å; I63-L67 HydrophobicContact CG2-CG 4.36Å; I63-L67 WeakPolarHBondContact O-CG 3.28Å; I63-L67 PolarHBondContact O-N 2.91Å
64G95.2Very high94.2Very high0 Ų047.6 Ų47.60%026%0.257CS..Hα-helixtrans-62.7-37.7-178.500000112.8K56 H58 D61 L67 F68K56-G64 WeakPolarHBondContact O-CA 3.29Å; H58-G64 WeakPolarHBondContact O-CA 3.43Å; D61-G64 WeakPolarHBondContact O-CA 3.22Å; D61-G64 PolarHBondContact O-N 2.79Å; G64-L67 PolarHBondContact O-N 3.39Å; G64-F68 VanDerWaalsContact O-CB 3.27Å; G64-F68 WeakPolarHBondContact O-CB 3.17Å; G64-F68 PolarHBondContact O-N 3.29Å
65I95.6Very high94.4Very high70 Ų7047 Ų4736%0.35925%0.254SS..Hα-helixtrans-64.6-46172.9-64.5170.8000111F59 D61 S62 I63 L67 F68 I69F59-I65 HydrophobicContact CD1-CG1 3.78Å; F59-I65 HydrophobicContact CE1-CB 4.43Å; F59-I65 HydrophobicContact CE1-CG1 3.81Å; D61-I65 PolarHBondContact O-N 3.39Å; S62-I65 PolarHBondContact O-N 3.31Å; I63-I65 VanDerWaalsContact C-N 3.32Å; I63-I65 PolarHBondContact O-N 3.5Å; I65-L67 VanDerWaalsContact C-N 3.32Å; I65-L67 PolarHBondContact O-N 3.04Å; I65-F68 PolarHBondContact O-N 3.49Å; I65-I69 HydrophobicContact CG2-CD1 3.77Å; I65-I69 HydrophobicContact CG2-CG1 4.44Å; I65-I69 WeakPolarHBondContact O-CG1 3.45Å; I65-I69 PolarHBondContact O-N 3.03Å
66C96Very high94.8Very high8 Ų846.3 Ų46.35%0.05424%0.244CC..Hα-helixtrans-59.2-44.5177.1-67.90000111.7L37 L38 S62 I63 G70L37-C66 HydrophobicContact CB-CB 4.06Å; L37-C66 WeakPolarHBondContact CD1-O 3.35Å; L38-C66 HydrophobicContact CD2-CB 3.96Å; L38-C66 HydrophobicContact CG-CB 4.31Å; S62-C66 PolarHBondContact O-N 3.25Å; S62-C66 PolarHBondContact O-SG 2.85Å; I63-C66 WeakPolarHBondContact O-CB 3.26Å; I63-C66 PolarHBondContact O-N 3.49Å; I63-C66 VanDerWaalsContact O-N 3.16Å; C66-G70 PolarHBondContact O-N 2.93Å
67L96.7Very high95.1Very high0 Ų045.9 Ų45.90%025%0.245CC..Hα-helixtrans-65.5-46.5177.2-66.4177.4000111.6L38 M50 K56 I57 I63 G64 I65 I69 G70 F71L38-L67 HydrophobicContact CD1-CD2 4.04Å; M50-L67 HydrophobicContact CB-CD1 4.15Å; M50-L67 HydrophobicContact CB-CD2 3.95Å; M50-L67 WeakPolarHBondContact O-CD1 3.34Å; M50-L67 WeakPolarHBondContact O-CD2 3.38Å; K56-L67 HydrophobicContact CB-CD1 3.87Å; I57-L67 HydrophobicContact CG1-CB 4.18Å; I57-L67 HydrophobicContact CG1-CD1 4.32Å; I63-L67 HydrophobicContact CG2-CD1 3.97Å; I63-L67 HydrophobicContact CG2-CG 4.36Å; I63-L67 WeakPolarHBondContact O-CG 3.28Å; I63-L67 PolarHBondContact O-N 2.91Å; G64-L67 PolarHBondContact O-N 3.39Å; I65-L67 VanDerWaalsContact C-N 3.32Å; I65-L67 PolarHBondContact O-N 3.04Å; L67-I69 VanDerWaalsContact C-N 3.33Å; L67-I69 PolarHBondContact O-N 3.41Å; L67-G70 PolarHBondContact O-N 3.4Å; L67-G70 VanDerWaalsContact O-N 3.15Å; L67-F71 VanDerWaalsContact O-CD2 3.26Å; L67-F71 WeakPolarHBondContact O-CD2 3.5Å; L67-F71 PolarHBondContact O-N 3.47Å
68F96.6Very high95.4Very high37 Ų3745.7 Ų45.716%0.16224%0.244CC..Hα-helixtrans-57.5-47.1178.1-173.2-95.1000111.6I57 F59 G64 I65 L72 I122 V123I57-F68 HydrophobicContact CG2-CB 4.38Å; I57-F68 HydrophobicContact CG2-CD2 4.35Å; F59-F68 HydrophobicContact CE1-CB 3.83Å; F59-F68 HydrophobicContact CE1-CG 4.1Å; F59-F68 HydrophobicContact CZ-CB 3.78Å; F59-F68 AromaticContact CZ-CD1 3.78Å; F59-F68 HydrophobicContact CZ-CD1 3.78Å; F59-F68 AromaticContact CZ-CD2 3.82Å; F59-F68 HydrophobicContact CZ-CD2 3.82Å; F59-F68 HydrophobicContact CZ-CE1 4.27Å; F59-F68 HydrophobicContact CZ-CE2 4.33Å; F59-F68 AromaticContact CZ-CG 3.52Å; F59-F68 HydrophobicContact CZ-CG 3.52Å; G64-F68 VanDerWaalsContact O-CB 3.27Å; G64-F68 WeakPolarHBondContact O-CB 3.17Å; G64-F68 PolarHBondContact O-N 3.29Å; I65-F68 PolarHBondContact O-N 3.49Å; F68-L72 HydrophobicContact CD1-CD1 3.77Å; F68-L72 HydrophobicContact CE1-CD1 3.36Å; F68-L72 HydrophobicContact CE1-CG 4.36Å; F68-L72 HydrophobicContact CZ-CD1 3.97Å; F68-L72 VanDerWaalsContact O-CG 3.31Å; F68-L72 WeakPolarHBondContact O-CG 3.22Å; F68-L72 PolarHBondContact O-N 2.89Å; F68-I122 HydrophobicContact CE2-CG2 4.47Å; F68-V123 HydrophobicContact CD2-CB 3.82Å; F68-V123 HydrophobicContact CD2-CG2 3.9Å; F68-V123 HydrophobicContact CE2-CB 3.78Å; F68-V123 HydrophobicContact CE2-CG2 4.05Å; F68-V123 HydrophobicContact CG-CG2 4.44Å
69I96.7Very high95.8Very high75 Ų7540.8 Ų40.839%0.38522%0.222SC..Hα-helixtrans-64.1-44.1175.5-65.7169.5000110.7L37 I65 L67 F71 L72 L73L37-I69 HydrophobicContact CD1-CB 4.18Å; L37-I69 HydrophobicContact CD1-CG2 3.91Å; I65-I69 HydrophobicContact CG2-CD1 3.77Å; I65-I69 HydrophobicContact CG2-CG1 4.44Å; I65-I69 WeakPolarHBondContact O-CG1 3.45Å; I65-I69 PolarHBondContact O-N 3.03Å; L67-I69 VanDerWaalsContact C-N 3.33Å; L67-I69 PolarHBondContact O-N 3.41Å; I69-F71 PolarHBondContact O-N 3.49Å; I69-L72 PolarHBondContact O-N 3.27Å; I69-L72 VanDerWaalsContact O-N 3.1Å; I69-L73 HydrophobicContact CG2-CD1 3.89Å; I69-L73 HydrophobicContact CG2-CG 4.29Å; I69-L73 WeakPolarHBondContact O-CG 3.42Å; I69-L73 PolarHBondContact O-N 2.96Å
70G97.4Very high96.1Very high0 Ų040.6 Ų40.60%022%0.223CC..Hα-helixtrans-56.4-51.3179.700000112.1C66 L67 L72 L73 T74C66-G70 PolarHBondContact O-N 2.93Å; L67-G70 PolarHBondContact O-N 3.4Å; L67-G70 VanDerWaalsContact O-N 3.15Å; G70-L72 VanDerWaalsContact C-N 3.25Å; G70-L72 PolarHBondContact O-N 3.33Å; G70-L73 PolarHBondContact O-N 3.22Å; G70-L73 VanDerWaalsContact O-N 3.11Å; G70-T74 PolarHBondContact O-N 3.4Å; G70-T74 PolarHBondContact O-OG1 2.9Å
71F97.2Very high96.5Very high4 Ų435.7 Ų35.72%0.01819%0.193CC..Hα-helixtrans-64.7-24.2177-83.5-75.3000113.9F26 A30 I51 I57 L67 I69 P75 H103 V123 S127F26-F71 HydrophobicContact CZ-CD1 4.35Å; F26-F71 HydrophobicContact CZ-CE1 4.14Å; A30-F71 HydrophobicContact CB-CE1 4.44Å; I51-F71 HydrophobicContact CG2-CZ 4.04Å; I57-F71 HydrophobicContact CD1-CD2 4.15Å; I57-F71 HydrophobicContact CD1-CE2 4.2Å; L67-F71 VanDerWaalsContact O-CD2 3.26Å; L67-F71 WeakPolarHBondContact O-CD2 3.5Å; L67-F71 PolarHBondContact O-N 3.47Å; I69-F71 PolarHBondContact O-N 3.49Å; F71-P75 WeakPolarHBondContact O-CD 3.32Å; F71-H103 AromaticContact CE1-NE2 3.96Å; F71-V123 HydrophobicContact CB-CG1 4.47Å; F71-V123 HydrophobicContact CB-CG2 3.6Å; F71-S127 PolarHBondContact O-OG 2.9Å
72L97.2Very high96.7Very high35 Ų3531.6 Ų31.618%0.18317%0.171CC..Hα-helixtrans-81.3-24.2173.1-71.8179.5000113.9F68 I69 G70 P75 V123 L126 I130F68-L72 HydrophobicContact CD1-CD1 3.77Å; F68-L72 HydrophobicContact CE1-CD1 3.36Å; F68-L72 HydrophobicContact CE1-CG 4.36Å; F68-L72 HydrophobicContact CZ-CD1 3.97Å; F68-L72 VanDerWaalsContact O-CG 3.31Å; F68-L72 WeakPolarHBondContact O-CG 3.22Å; F68-L72 PolarHBondContact O-N 2.89Å; I69-L72 PolarHBondContact O-N 3.27Å; I69-L72 VanDerWaalsContact O-N 3.1Å; G70-L72 VanDerWaalsContact C-N 3.25Å; G70-L72 PolarHBondContact O-N 3.33Å; L72-P75 WeakPolarHBondContact O-CD 3.3Å; L72-P75 WeakPolarHBondContact O-CG 3.39Å; L72-V123 HydrophobicContact CD2-CG2 3.96Å; L72-V123 HydrophobicContact CG-CG2 3.95Å; L72-L126 HydrophobicContact CD1-CD2 4.18Å; L72-L126 HydrophobicContact CD2-CB 3.94Å; L72-L126 HydrophobicContact CD2-CD2 3.47Å; L72-L126 VanDerWaalsContact CD2-CD2 3.47Å; L72-L126 HydrophobicContact CD2-CG 3.54Å; L72-L126 HydrophobicContact CG-CD2 4.5Å; L72-I130 HydrophobicContact CD2-CD1 3.97Å
73L98Very high96.8Very high72 Ų7231.9 Ų31.938%0.37716%0.16SC..Hα-helixtrans-85.4-32174.7-67.4176.3000112.2I33 I69 G70 L76I33-L73 HydrophobicContact CD1-CB 4.15Å; I33-L73 HydrophobicContact CG2-CB 4Å; I33-L73 HydrophobicContact CG2-CD1 4.08Å; I69-L73 HydrophobicContact CG2-CD1 3.89Å; I69-L73 HydrophobicContact CG2-CG 4.29Å; I69-L73 WeakPolarHBondContact O-CG 3.42Å; I69-L73 PolarHBondContact O-N 2.96Å; G70-L73 PolarHBondContact O-N 3.22Å; G70-L73 VanDerWaalsContact O-N 3.11Å; L73-L76 HydrophobicContact CD2-CD1 3.97Å; L73-L76 VanDerWaalsContact O-CB 3.29Å; L73-L76 WeakPolarHBondContact O-CB 3.42Å; L73-L76 PolarHBondContact O-N 2.84Å
74T98.3Very high96.8Very high0 Ų035.6 Ų35.60%018%0.175CC..Hα-helixtrans-46-49.1172.7-61.70000115F26 S29 A30 G70 L76 I77 C78F26-T74 HydrophobicContact CD2-CG2 3.62Å; F26-T74 HydrophobicContact CE2-CG2 3.73Å; F26-T74 HydrophobicContact CG-CG2 4.42Å; S29-T74 WeakPolarHBondContact OG-CG2 3.44Å; A30-T74 WeakPolarHBondContact CA-OG1 3.48Å; A30-T74 HydrophobicContact CB-CG2 4.03Å; G70-T74 PolarHBondContact O-N 3.4Å; G70-T74 PolarHBondContact O-OG1 2.9Å; T74-L76 PolarHBondContact O-N 3.5Å; T74-L76 VanDerWaalsContact O-N 3.15Å; T74-I77 PolarHBondContact O-N 3.35Å; T74-I77 VanDerWaalsContact O-N 3.14Å; T74-C78 PolarHBondContact O-N 2.81Å; T74-C78 PolarHBondContact O-SG 3.45Å; T74-C78 VanDerWaalsContact O-SG 3.34Å
75P97.9Very high96.6Very high1 Ų137.3 Ų37.31%0.00618%0.183CC..Hα-helixtrans-62-22.7-179.324.9-38.1000113.4F71 L72 C78 S79 S127 I130 M131F71-P75 WeakPolarHBondContact O-CD 3.32Å; L72-P75 WeakPolarHBondContact O-CD 3.3Å; L72-P75 WeakPolarHBondContact O-CG 3.39Å; P75-C78 PolarHBondContact O-N 2.91Å; P75-S79 VanDerWaalsContact O-CB 3.26Å; P75-S79 WeakPolarHBondContact O-CB 3.41Å; P75-S79 PolarHBondContact O-N 3.4Å; P75-S79 PolarHBondContact O-OG 3.42Å; P75-S127 WeakPolarHBondContact CB-O 3.33Å; P75-I130 HydrophobicContact CB-CB 4.19Å; P75-I130 HydrophobicContact CB-CG2 3.97Å; P75-I130 HydrophobicContact CG-CB 4.04Å; P75-I130 HydrophobicContact CG-CD1 4.5Å; P75-I130 HydrophobicContact CG-CG2 3.81Å; P75-M131 HydrophobicContact CB-CB 3.68Å; P75-M131 HydrophobicContact CB-CG 4.3Å; P75-M131 HydrophobicContact CB-SD 4.43Å
76L97.7Very high96.3Very high66 Ų6634.6 Ų34.635%0.34617%0.17SC..Hα-helixtrans-65.9-47174.8-56.2177.5000110.8L73 T74 S79 I80 I130 M134L73-L76 HydrophobicContact CD2-CD1 3.97Å; L73-L76 VanDerWaalsContact O-CB 3.29Å; L73-L76 WeakPolarHBondContact O-CB 3.42Å; L73-L76 PolarHBondContact O-N 2.84Å; T74-L76 PolarHBondContact O-N 3.5Å; T74-L76 VanDerWaalsContact O-N 3.15Å; L76-S79 PolarHBondContact O-N 2.82Å; L76-S79 PolarHBondContact O-OG 2.68Å; L76-I80 PolarHBondContact O-N 3.38Å; L76-I130 HydrophobicContact CD2-CG2 3.81Å; L76-M134 HydrophobicContact CD2-CE 4.22Å
77I98Very high95.9Very high82 Ų8240.9 Ų40.942%0.42120%0.197SC..Hα-helixtrans-65.7-42.3175.5-57.7-57.6000110.7I25 I33 T74 S79 I80 G81I25-I77 HydrophobicContact CG2-CG2 4.25Å; I33-I77 HydrophobicContact CD1-CG1 4.15Å; T74-I77 PolarHBondContact O-N 3.35Å; T74-I77 VanDerWaalsContact O-N 3.14Å; I77-S79 VanDerWaalsContact C-N 3.32Å; I77-S79 PolarHBondContact O-N 3.41Å; I77-I80 PolarHBondContact O-N 2.99Å; I77-G81 PolarHBondContact O-N 2.93Å; I77-G81 VanDerWaalsContact O-N 3.13Å
78C97.8Very high95.5Very high0 Ų047 Ų470%022%0.219CC..Hα-helixtrans-65.2-34.6178.6-62.70000112.4M22 T74 P75 I80 G81 L82 M131M22-C78 HydrophobicContact CE-CB 4.13Å; M22-C78 WeakPolarHBondContact CE-O 3.35Å; T74-C78 PolarHBondContact O-N 2.81Å; T74-C78 PolarHBondContact O-SG 3.45Å; T74-C78 VanDerWaalsContact O-SG 3.34Å; P75-C78 PolarHBondContact O-N 2.91Å; C78-I80 VanDerWaalsContact C-N 3.3Å; C78-I80 PolarHBondContact O-N 2.94Å; C78-G81 CarbonylContact O-C 3.48Å; C78-G81 WeakPolarHBondContact O-CA 3.35Å; C78-G81 PolarHBondContact O-N 3.47Å; C78-G81 VanDerWaalsContact O-N 3.09Å; C78-L82 WeakPolarHBondContact O-CG 3.25Å; C78-L82 PolarHBondContact O-N 3.42Å; C78-M131 HydrophobicContact CB-CG 4.14Å; C78-M131 HydrophobicContact CB-SD 3.22Å; C78-M131 WeakPolarHBondContact CB-SD 3.32Å
79S97.4Very high95.2Very high2 Ų246 Ų461%0.01422%0.218CC..Hα-helixtrans-63.5-36.2176.773.40000112.6P75 L76 I77 L82 W83 M134P75-S79 VanDerWaalsContact O-CB 3.26Å; P75-S79 WeakPolarHBondContact O-CB 3.41Å; P75-S79 PolarHBondContact O-N 3.4Å; P75-S79 PolarHBondContact O-OG 3.42Å; L76-S79 PolarHBondContact O-N 2.82Å; L76-S79 PolarHBondContact O-OG 2.68Å; I77-S79 VanDerWaalsContact C-N 3.32Å; I77-S79 PolarHBondContact O-N 3.41Å; S79-L82 PolarHBondContact O-N 3.41Å; S79-W83 PolarHBondContact O-N 3.27Å; S79-M134 WeakPolarHBondContact OG-CG 3.32Å
80I97.1Very high94.9Very high75 Ų7550 Ų5039%0.38523%0.232SC..Hα-helixtrans-65.9-42.3172.2-63168.7000109.8L76 I77 C78 W83 F84 L138L76-I80 PolarHBondContact O-N 3.38Å; I77-I80 PolarHBondContact O-N 2.99Å; C78-I80 VanDerWaalsContact C-N 3.3Å; C78-I80 PolarHBondContact O-N 2.94Å; I80-W83 WeakPolarHBondContact O-CB 3.33Å; I80-W83 PolarHBondContact O-N 3.09Å; I80-F84 HydrophobicContact CG2-CD2 3.81Å; I80-F84 HydrophobicContact CG2-CE2 3.51Å; I80-F84 WeakPolarHBondContact O-CD2 3.29Å; I80-F84 PolarHBondContact O-N 2.88Å; I80-F84 VanDerWaalsContact O-N 3.08Å; I80-L138 HydrophobicContact CG1-CD1 4.24Å
81G96.1Very high94.6Very high7 Ų753.4 Ų53.47%0.07225%0.248CC..Hα-helixtrans-58.8-46.7173.500000113I77 C78 W83 F84 I85I77-G81 PolarHBondContact O-N 2.93Å; I77-G81 VanDerWaalsContact O-N 3.13Å; C78-G81 CarbonylContact O-C 3.48Å; C78-G81 WeakPolarHBondContact O-CA 3.35Å; C78-G81 PolarHBondContact O-N 3.47Å; C78-G81 VanDerWaalsContact O-N 3.09Å; G81-W83 VanDerWaalsContact C-N 3.3Å; G81-W83 PolarHBondContact O-N 3.05Å; G81-F84 PolarHBondContact O-N 3.39Å; G81-I85 VanDerWaalsContact O-CG1 3.31Å; G81-I85 WeakPolarHBondContact O-CG1 3.41Å; G81-I85 PolarHBondContact O-N 3.41Å; G81-I85 VanDerWaalsContact O-N 3.09Å
82L95.1Very high94.5Very high0 Ų053.2 Ų53.20%025%0.247CC..Hα-helixtrans-58.1-44.6175.2-73.3177.9000111.3M22 C78 S79 F84 I85 V86 F95 M131M22-L82 HydrophobicContact CE-CD2 3.66Å; M22-L82 HydrophobicContact CE-CG 3.67Å; M22-L82 HydrophobicContact CG-CD2 4.12Å; M22-L82 HydrophobicContact SD-CD2 3.92Å; M22-L82 HydrophobicContact SD-CG 4.26Å; C78-L82 WeakPolarHBondContact O-CG 3.25Å; C78-L82 PolarHBondContact O-N 3.42Å; S79-L82 PolarHBondContact O-N 3.41Å; L82-F84 VanDerWaalsContact C-N 3.35Å; L82-F84 PolarHBondContact O-N 3.41Å; L82-I85 PolarHBondContact O-N 3.34Å; L82-V86 HydrophobicContact CD2-CG2 4.16Å; L82-V86 VanDerWaalsContact O-CB 3.29Å; L82-V86 WeakPolarHBondContact O-CB 3.31Å; L82-V86 PolarHBondContact O-N 2.87Å; L82-F95 HydrophobicContact CD2-CB 3.49Å; L82-F95 VanDerWaalsContact CD2-CB 3.49Å; L82-F95 HydrophobicContact CD2-CG 4.05Å; L82-M131 HydrophobicContact CD1-CG 3.74Å; L82-M131 HydrophobicContact CD1-SD 4.43Å
83W95.9Very high94.5Very high83 Ų8355.6 Ų55.631%0.31426%0.26SS..Hα-helixtrans-58.5-45.3177.5172.756.4000112.3S79 I80 G81 I85 K87 L138 S142S79-W83 PolarHBondContact O-N 3.27Å; I80-W83 WeakPolarHBondContact O-CB 3.33Å; I80-W83 PolarHBondContact O-N 3.09Å; G81-W83 VanDerWaalsContact C-N 3.3Å; G81-W83 PolarHBondContact O-N 3.05Å; W83-I85 PolarHBondContact O-N 3.13Å; W83-K87 WeakPolarHBondContact O-CA 3.17Å; W83-K87 WeakPolarHBondContact O-CG 3.35Å; W83-K87 PolarHBondContact O-N 2.91Å; W83-L138 HydrophobicContact CB-CB 3.87Å; W83-L138 HydrophobicContact CB-CD1 4.22Å; W83-L138 HydrophobicContact CD2-CB 4.46Å; W83-L138 HydrophobicContact CG-CB 3.81Å; W83-L138 PolarHBondContact NE1-O 2.95Å; W83-S142 PolarHBondContact NE1-OG 3.34Å
84F94.5Very high94.4Very high130 Ų13056.7 Ų56.757%0.5727%0.266SS*.Hα-helixtrans-65.2-38.2178.6-80.9-64.1000113.7I80 G81 L82 K87I80-F84 HydrophobicContact CG2-CD2 3.81Å; I80-F84 HydrophobicContact CG2-CE2 3.51Å; I80-F84 WeakPolarHBondContact O-CD2 3.29Å; I80-F84 PolarHBondContact O-N 2.88Å; I80-F84 VanDerWaalsContact O-N 3.08Å; G81-F84 PolarHBondContact O-N 3.39Å; L82-F84 VanDerWaalsContact C-N 3.35Å; L82-F84 PolarHBondContact O-N 3.41Å; F84-K87 WeakPolarHBondContact O-CE 3.29Å
85I91.9Very high94.3Very high36 Ų3657.4 Ų57.419%0.18527%0.269CS..Hα-helixtrans-87.6-51.9-171.9-64.9170.5000112.3Q18 F21 M22 G81 L82 W83Q18-I85 HydrophobicContact CB-CG2 3.72Å; Q18-I85 HydrophobicContact CG-CG2 3.36Å; Q18-I85 PolarHBondContact NE2-O 3.36Å; F21-I85 HydrophobicContact CD1-CD1 3.21Å; F21-I85 HydrophobicContact CD1-CG1 4.15Å; F21-I85 HydrophobicContact CE1-CD1 3.6Å; F21-I85 HydrophobicContact CE1-CG1 4.18Å; F21-I85 HydrophobicContact CG-CD1 4.26Å; M22-I85 HydrophobicContact CG-CD1 3.74Å; M22-I85 HydrophobicContact SD-CD1 3.41Å; M22-I85 WeakPolarHBondContact SD-CD1 3.28Å; G81-I85 VanDerWaalsContact O-CG1 3.31Å; G81-I85 WeakPolarHBondContact O-CG1 3.41Å; G81-I85 PolarHBondContact O-N 3.41Å; G81-I85 VanDerWaalsContact O-N 3.09Å; L82-I85 PolarHBondContact O-N 3.34Å; W83-I85 PolarHBondContact O-N 3.13Å
86V89.4Confident94.2Very high13 Ų1357.3 Ų57.38%0.07927%0.269CS..Hα-helixtrans-86.2-40.6-169.5-177.20000109.9L82 R88 Q91 F95L82-V86 HydrophobicContact CD2-CG2 4.16Å; L82-V86 VanDerWaalsContact O-CB 3.29Å; L82-V86 WeakPolarHBondContact O-CB 3.31Å; L82-V86 PolarHBondContact O-N 2.87Å; V86-R88 HydrophobicContact CG1-CB 4.32Å; V86-R88 WeakPolarHBondContact CG1-O 3.37Å; V86-R88 PolarHBondContact O-N 3.45Å; V86-Q91 HydrophobicContact CG1-CB 3.43Å; V86-Q91 VanDerWaalsContact CG1-CB 3.43Å; V86-Q91 HydrophobicContact CG1-CG 4.35Å; V86-F95 HydrophobicContact CG1-CE2 4.46Å; V86-F95 HydrophobicContact CG2-CD2 3.65Å; V86-F95 HydrophobicContact CG2-CE2 3.67Å; V86-F95 HydrophobicContact CG2-CG 4.22Å; V86-F95 HydrophobicContact CG2-CZ 4.26Å
87K86.7Confident94.3Very high141 Ų14156.8 Ų56.861%0.61327%0.27SS*.  trans56.3-8.8-176.3-59.6179.1177.8-179.40115.7W83 F84W83-K87 WeakPolarHBondContact O-CA 3.17Å; W83-K87 WeakPolarHBondContact O-CG 3.35Å; W83-K87 PolarHBondContact O-N 2.91Å; F84-K87 WeakPolarHBondContact O-CE 3.29Å
88R89.2Confident94.2Very high127 Ų12754.9 Ų54.948%0.47926%0.262SS..  trans-116.8120.1-174.6-170.9-180-168.9-170.33.3110.5V86 K90 Q91V86-R88 HydrophobicContact CG1-CB 4.32Å; V86-R88 WeakPolarHBondContact CG1-O 3.37Å; V86-R88 PolarHBondContact O-N 3.45Å; R88-K90 PolarHBondContact O-N 3Å; R88-Q91 PolarHBondContact O-N 3.29Å
89S90.3Very high94.2Very high18 Ų1854.9 Ų54.913%0.12626%0.262CS..G310 helixtrans-52.6-46.8-177.552.50000113.9Q91 C92S89-Q91 PolarHBondContact O-N 3.3Å; S89-C92 WeakPolarHBondContact O-CB 3.48Å; S89-C92 PolarHBondContact O-N 3.43Å; S89-C92 PolarHBondContact O-SG 3.23Å; S89-C92 VanDerWaalsContact O-SG 3.41Å
90K90.4Very high94.3Very high158 Ų15855.3 Ų55.369%0.68726%0.264SS*.G310 helixtrans-59.2-17.5-174.6-66-174.9177.5-179.10115.7R88R88-K90 PolarHBondContact O-N 3Å
91Q91.7Very high94.3Very high71 Ų7157.5 Ų57.533%0.33227%0.271SS..G310 helixtrans-100.4-8.2-178.8-71.7176.4-63.700112.6V86 R88 S89 L93 D94 F95V86-Q91 HydrophobicContact CG1-CB 3.43Å; V86-Q91 VanDerWaalsContact CG1-CB 3.43Å; V86-Q91 HydrophobicContact CG1-CG 4.35Å; R88-Q91 PolarHBondContact O-N 3.29Å; S89-Q91 PolarHBondContact O-N 3.3Å; Q91-L93 VanDerWaalsContact C-N 3.31Å; Q91-L93 PolarHBondContact O-N 3.22Å; Q91-D94 PolarHBondContact O-N 2.88Å; Q91-F95 HydrophobicContact CB-CD2 4.3Å; Q91-F95 HydrophobicContact CB-CE2 4.44Å; Q91-F95 WeakPolarHBondContact O-CD2 3.32Å; Q91-F95 PolarHBondContact O-N 3.33Å; Q91-F95 VanDerWaalsContact O-N 3.16Å
92C94.8Very high94.4Very high0 Ų062.3 Ų62.30%029%0.287CS..Hα-helixtrans-60.9-39.6-176.7-67.20000112.2S89 S96 G135 E136 C139S89-C92 WeakPolarHBondContact O-CB 3.48Å; S89-C92 PolarHBondContact O-N 3.43Å; S89-C92 PolarHBondContact O-SG 3.23Å; S89-C92 VanDerWaalsContact O-SG 3.41Å; C92-S96 VanDerWaalsContact O-CB 3.29Å; C92-S96 WeakPolarHBondContact O-CB 2.98Å; C92-S96 PolarHBondContact O-N 3.49Å; C92-S96 PolarHBondContact O-OG 3.49Å; C92-G135 VanDerWaalsContact SG-C 3.58Å; C92-E136 HydrophobicContact CB-CG 3.9Å; C92-C139 VanDerWaalsContact SG-SG 3.68Å
93L96Very high94.5Very high85 Ų8562.3 Ų62.345%0.44529%0.287SS..Hα-helixtrans-63.2-47.5176-172.8146.7000112.7Q91 F95 S96 C97 T132Q91-L93 VanDerWaalsContact C-N 3.31Å; Q91-L93 PolarHBondContact O-N 3.22Å; L93-F95 PolarHBondContact O-N 3.26Å; L93-S96 PolarHBondContact O-N 2.88Å; L93-S96 VanDerWaalsContact O-N 3.1Å; L93-C97 PolarHBondContact O-N 2.93Å; L93-C97 PolarHBondContact O-SG 3.19Å; L93-T132 HydrophobicContact CB-CG2 4.02Å; L93-T132 HydrophobicContact CG-CG2 4.19Å
94D95.6Very high94.6Very high96 Ų9660.6 Ų60.651%0.51328%0.282SS..Hα-helixtrans-60.1-47.4-178.7-65.2-20.6000111.5Q91 S96 T98Q91-D94 PolarHBondContact O-N 2.88Å; D94-S96 VanDerWaalsContact C-N 3.3Å; D94-S96 PolarHBondContact O-N 3.03Å; D94-T98 VanDerWaalsContact O-CB 3.3Å; D94-T98 WeakPolarHBondContact O-CB 3.47Å; D94-T98 PolarHBondContact O-N 3.42Å; D94-T98 PolarHBondContact O-OG1 3.44Å
95F96.1Very high94.7Very high14 Ų1456.7 Ų56.76%0.06127%0.266CS..Hα-helixtrans-64.5-37.4176-84.4-83.8000111.8Q18 I19 M22 L82 V86 Q91 L93 T98 I99Q18-F95 HydrophobicContact CB-CE1 3.82Å; Q18-F95 HydrophobicContact CB-CZ 3.94Å; I19-F95 HydrophobicContact CG1-CD1 4.22Å; I19-F95 HydrophobicContact CG1-CE1 3.74Å; M22-F95 HydrophobicContact CG-CD1 4.44Å; L82-F95 HydrophobicContact CD2-CB 3.49Å; L82-F95 VanDerWaalsContact CD2-CB 3.49Å; L82-F95 HydrophobicContact CD2-CG 4.05Å; V86-F95 HydrophobicContact CG1-CE2 4.46Å; V86-F95 HydrophobicContact CG2-CD2 3.65Å; V86-F95 HydrophobicContact CG2-CE2 3.67Å; V86-F95 HydrophobicContact CG2-CG 4.22Å; V86-F95 HydrophobicContact CG2-CZ 4.26Å; Q91-F95 HydrophobicContact CB-CD2 4.3Å; Q91-F95 HydrophobicContact CB-CE2 4.44Å; Q91-F95 WeakPolarHBondContact O-CD2 3.32Å; Q91-F95 PolarHBondContact O-N 3.33Å; Q91-F95 VanDerWaalsContact O-N 3.16Å; L93-F95 PolarHBondContact O-N 3.26Å; F95-T98 PolarHBondContact O-N 2.99Å; F95-I99 WeakPolarHBondContact O-CD1 3.4Å; F95-I99 VanDerWaalsContact O-CG1 3.26Å; F95-I99 WeakPolarHBondContact O-CG1 3.39Å; F95-I99 PolarHBondContact O-N 2.96Å
96S97.7Very high94.9Very high0 Ų058.6 Ų58.60%027%0.273CS..Hα-helixtrans-66.3-44.8-179.5-60.50000113.3C92 L93 D94 T98 H100 M131 T132C92-S96 VanDerWaalsContact O-CB 3.29Å; C92-S96 WeakPolarHBondContact O-CB 2.98Å; C92-S96 PolarHBondContact O-N 3.49Å; C92-S96 PolarHBondContact O-OG 3.49Å; L93-S96 PolarHBondContact O-N 2.88Å; L93-S96 VanDerWaalsContact O-N 3.1Å; D94-S96 VanDerWaalsContact C-N 3.3Å; D94-S96 PolarHBondContact O-N 3.03Å; S96-T98 VanDerWaalsContact C-N 3.33Å; S96-H100 PolarHBondContact O-N 3.25Å; S96-H100 PolarHBondContact O-ND1 3.5Å; S96-M131 VanDerWaalsContact OG-CE 3.28Å; S96-M131 WeakPolarHBondContact OG-CE 3.31Å; S96-T132 VanDerWaalsContact CB-CG2 3.44Å; S96-T132 WeakPolarHBondContact OG-CG2 3.32Å
97C97.9Very high95.3Very high54 Ų5458 Ų5837%0.36527%0.27SS..Hα-helixtrans-62.7-41.5171.7-68.40000111L93 I99 H100 F101L93-C97 PolarHBondContact O-N 2.93Å; L93-C97 PolarHBondContact O-SG 3.19Å; C97-I99 PolarHBondContact O-N 2.99Å; C97-H100 PolarHBondContact O-N 3.49Å; C97-F101 WeakPolarHBondContact O-CB 3.34Å; C97-F101 PolarHBondContact O-N 3.15Å
98T97.5Very high95.8Very high42 Ų4253.4 Ų53.426%0.25825%0.251SS..Hα-helixtrans-62-44.6179.7-60.50000112.2I19 D94 F95 S96 H100 F101 W102I19-T98 HydrophobicContact CD1-CG2 4.18Å; I19-T98 HydrophobicContact CG1-CG2 4.24Å; I19-T98 HydrophobicContact CG2-CG2 3.91Å; D94-T98 VanDerWaalsContact O-CB 3.3Å; D94-T98 WeakPolarHBondContact O-CB 3.47Å; D94-T98 PolarHBondContact O-N 3.42Å; D94-T98 PolarHBondContact O-OG1 3.44Å; F95-T98 PolarHBondContact O-N 2.99Å; S96-T98 VanDerWaalsContact C-N 3.33Å; T98-H100 PolarHBondContact O-N 3.47Å; T98-F101 PolarHBondContact O-N 2.99Å; T98-W102 VanDerWaalsContact O-CD1 3.23Å; T98-W102 PolarHBondContact O-N 3.38Å
99I98Very high96.1Very high1 Ų152.9 Ų52.91%0.00526%0.257CS..Hα-helixtrans-57.4-51.5177.3-72.6160.1000110.6M22 Q23 F26 F95 C97 W102 H103 M131M22-I99 HydrophobicContact CB-CD1 3.84Å; M22-I99 HydrophobicContact CB-CG1 4.09Å; M22-I99 HydrophobicContact CE-CD1 3.61Å; M22-I99 HydrophobicContact CG-CD1 4.39Å; Q23-I99 VanDerWaalsContact OE1-CA 3.25Å; Q23-I99 PolarHBondContact OE1-O 3.37Å; F26-I99 HydrophobicContact CB-CG2 3.9Å; F26-I99 HydrophobicContact CD1-CG2 4.3Å; F26-I99 HydrophobicContact CD2-CG2 3.61Å; F26-I99 HydrophobicContact CE2-CG2 4.2Å; F26-I99 HydrophobicContact CG-CG2 3.66Å; F95-I99 WeakPolarHBondContact O-CD1 3.4Å; F95-I99 VanDerWaalsContact O-CG1 3.26Å; F95-I99 WeakPolarHBondContact O-CG1 3.39Å; F95-I99 PolarHBondContact O-N 2.96Å; C97-I99 PolarHBondContact O-N 2.99Å; I99-W102 PolarHBondContact O-N 3.19Å; I99-H103 PolarHBondContact O-N 3.44Å; I99-M131 HydrophobicContact CB-CE 4.31Å; I99-M131 HydrophobicContact CD1-CE 3.73Å; I99-M131 HydrophobicContact CD1-SD 4.24Å; I99-M131 HydrophobicContact CG2-CE 4.39Å
100H97.9Very high96.4Very high10 Ų1056.6 Ų56.65%0.04627%0.269CS..Hα-helixtrans-73.1-30-177.6-68.283.2000112.6S96 C97 T98 H103 F104 N124 S127 I128S96-H100 PolarHBondContact O-N 3.25Å; S96-H100 PolarHBondContact O-ND1 3.5Å; C97-H100 PolarHBondContact O-N 3.49Å; T98-H100 PolarHBondContact O-N 3.47Å; H100-H103 PolarHBondContact O-N 3.37Å; H100-F104 WeakPolarHBondContact O-CB 3.16Å; H100-F104 PolarHBondContact O-N 3.07Å; H100-N124 PolarHBondContact CD2-OD1 2.8Å; H100-S127 VanDerWaalsContact NE2-CB 3.32Å; H100-S127 WeakPolarHBondContact NE2-CB 3.19Å; H100-I128 HydrophobicContact CB-CD1 3.8Å; H100-I128 HydrophobicContact CB-CG1 3.83Å; H100-I128 VanDerWaalsContact CG-CG1 3.42Å; H100-I128 VanDerWaalsContact ND1-CG1 3.34Å; H100-I128 WeakPolarHBondContact ND1-CG1 3.47Å
101F98Very high96.6Very high121 Ų12150.7 Ų50.753%0.53125%0.247SC..Hα-helixtrans-62.3-48.9172.2176.5-101.3000111C97 T98 H103 F104 I105C97-F101 WeakPolarHBondContact O-CB 3.34Å; C97-F101 PolarHBondContact O-N 3.15Å; T98-F101 PolarHBondContact O-N 2.99Å; F101-H103 VanDerWaalsContact C-N 3.33Å; F101-H103 PolarHBondContact O-N 3.11Å; F101-F104 WeakPolarHBondContact O-CB 3.26Å; F101-F104 PolarHBondContact O-N 3.2Å; F101-I105 HydrophobicContact CE1-CG1 4.19Å; F101-I105 HydrophobicContact CZ-CD1 4.33Å; F101-I105 HydrophobicContact CZ-CG1 4.25Å; F101-I105 WeakPolarHBondContact O-CG1 3.44Å; F101-I105 PolarHBondContact O-N 2.91Å
102W97.5Very high96.6Very high108 Ų10852.6 Ų52.641%0.40927%0.269SS..Hα-helixtrans-66.6-35.6175.1-80.2110.2000112.5T98 I99 F104 I105 F106T98-W102 VanDerWaalsContact O-CD1 3.23Å; T98-W102 PolarHBondContact O-N 3.38Å; I99-W102 PolarHBondContact O-N 3.19Å; W102-F104 VanDerWaalsContact C-N 3.34Å; W102-F104 PolarHBondContact O-N 2.94Å; W102-I105 PolarHBondContact O-N 3.18Å; W102-F106 HydrophobicContact CB-CE2 4.42Å; W102-F106 HydrophobicContact CE3-CE1 4.24Å; W102-F106 HydrophobicContact CE3-CZ 4.09Å; W102-F106 WeakPolarHBondContact O-CD2 3.46Å; W102-F106 WeakPolarHBondContact O-CG 3.28Å; W102-F106 PolarHBondContact O-N 3.24Å
103H97.4Very high96.5Very high0 Ų054.8 Ų54.80%028%0.284CS..Hα-helixtrans-58.9-45.8172.4179.766.4000111.6F26 Y27 F71 I99 H100 F101 I105 F106 C107 W120 N124F26-H103 HydrophobicContact CE1-CB 4.1Å; F26-H103 AromaticContact CE1-CG 3.81Å; F26-H103 AromaticContact CE1-ND1 3.59Å; F26-H103 HydrophobicContact CZ-CB 4.47Å; Y27-H103 AromaticContact CE1-ND1 3.76Å; Y27-H103 AromaticContact CZ-ND1 3.73Å; Y27-H103 WeakPolarHBondContact OH-CA 3.24Å; Y27-H103 PolarHBondContact OH-ND1 3.1Å; F71-H103 AromaticContact CE1-NE2 3.96Å; I99-H103 PolarHBondContact O-N 3.44Å; H100-H103 PolarHBondContact O-N 3.37Å; F101-H103 VanDerWaalsContact C-N 3.33Å; F101-H103 PolarHBondContact O-N 3.11Å; H103-I105 PolarHBondContact O-N 3.29Å; H103-F106 PolarHBondContact O-N 3.49Å; H103-C107 PolarHBondContact CE1-SG 3.14Å; H103-C107 PolarHBondContact NE2-SG 3.16Å; H103-C107 PolarHBondContact O-N 3.16Å; H103-C107 PolarHBondContact O-SG 3.36Å; H103-W120 AromaticContact CD2-CZ2 3.81Å; H103-W120 AromaticContact NE2-CZ2 3.97Å; H103-W120 AromaticContact NE2-NE1 3.93Å; H103-N124 PolarHBondContact CD2-OD1 2.95Å
104F97.3Very high96.4Very high48 Ų4855.9 Ų55.921%0.21129%0.29CS..Hα-helixtrans-56.3-46.4173172-108.8000112.2H100 F101 W102 F106 C107 I108 L114 P115 W120 W121H100-F104 WeakPolarHBondContact O-CB 3.16Å; H100-F104 PolarHBondContact O-N 3.07Å; F101-F104 WeakPolarHBondContact O-CB 3.26Å; F101-F104 PolarHBondContact O-N 3.2Å; W102-F104 VanDerWaalsContact C-N 3.34Å; W102-F104 PolarHBondContact O-N 2.94Å; F104-F106 PolarHBondContact O-N 2.92Å; F104-C107 PolarHBondContact O-N 2.79Å; F104-I108 HydrophobicContact CD1-CD1 3.9Å; F104-I108 HydrophobicContact CD2-CD1 4.25Å; F104-I108 HydrophobicContact CE1-CD1 3.42Å; F104-I108 VanDerWaalsContact CE1-CD1 3.42Å; F104-I108 HydrophobicContact CE2-CD1 3.82Å; F104-I108 HydrophobicContact CE2-CG1 4.36Å; F104-I108 HydrophobicContact CG-CD1 4.31Å; F104-I108 HydrophobicContact CZ-CD1 3.4Å; F104-I108 VanDerWaalsContact CZ-CD1 3.4Å; F104-I108 HydrophobicContact CZ-CG1 4.39Å; F104-I108 WeakPolarHBondContact O-CG1 3.32Å; F104-I108 PolarHBondContact O-N 2.78Å; F104-L114 HydrophobicContact CZ-CD2 4.42Å; F104-P115 HydrophobicContact CD2-CG 4.05Å; F104-P115 HydrophobicContact CE2-CG 4.08Å; F104-W120 HydrophobicContact CB-CH2 4.02Å; F104-W120 AromaticContact CD2-CH2 3.65Å; F104-W120 HydrophobicContact CD2-CH2 3.65Å; F104-W120 AromaticContact CD2-CZ3 3.98Å; F104-W120 HydrophobicContact CD2-CZ3 3.98Å; F104-W120 HydrophobicContact CG-CH2 4.33Å; F104-W121 AromaticContact CD2-CH2 3.83Å; F104-W121 HydrophobicContact CD2-CH2 3.83Å; F104-W121 HydrophobicContact CD2-CZ2 4.33Å; F104-W121 AromaticContact CE2-CH2 3.4Å; F104-W121 HydrophobicContact CE2-CH2 3.4Å; F104-W121 VanDerWaalsContact CE2-CH2 3.4Å; F104-W121 AromaticContact CE2-CZ2 3.7Å; F104-W121 HydrophobicContact CE2-CZ2 3.7Å; F104-W121 HydrophobicContact CE2-CZ3 4.47Å; F104-W121 HydrophobicContact CZ-CH2 4.05Å; F104-W121 HydrophobicContact CZ-CZ2 4.5Å
105I97.6Very high96.3Very high47 Ų4751.7 Ų51.724%0.24127%0.267CS..Hα-helixtrans-61.2-44.8176.4-63.7-57.5000111.5F101 W102 H103 C107 I108 I109F101-I105 HydrophobicContact CE1-CG1 4.19Å; F101-I105 HydrophobicContact CZ-CD1 4.33Å; F101-I105 HydrophobicContact CZ-CG1 4.25Å; F101-I105 WeakPolarHBondContact O-CG1 3.44Å; F101-I105 PolarHBondContact O-N 2.91Å; W102-I105 PolarHBondContact O-N 3.18Å; H103-I105 PolarHBondContact O-N 3.29Å; I105-C107 PolarHBondContact O-N 2.95Å; I105-I108 PolarHBondContact O-N 2.97Å; I105-I109 HydrophobicContact CG2-CD1 3.79Å; I105-I109 HydrophobicContact CG2-CG1 4.45Å; I105-I109 WeakPolarHBondContact O-CG1 3.18Å; I105-I109 PolarHBondContact O-N 3.5Å
106F96.7Very high96.1Very high77 Ų7759.2 Ų59.234%0.33830%0.3SS..Hα-helixtrans-66.5-35.9178.5-65.5-33.4000112.6Y27 F52 W102 H103 F104 I109 Y110Y27-F106 AromaticContact CE2-CD2 3.88Å; Y27-F106 HydrophobicContact CE2-CD2 3.88Å; Y27-F106 HydrophobicContact CE2-CE2 4.16Å; Y27-F106 AromaticContact CZ-CD2 3.89Å; Y27-F106 VanDerWaalsContact OH-CD2 3.29Å; Y27-F106 WeakPolarHBondContact OH-CD2 3.4Å; F52-F106 HydrophobicContact CD1-CB 4.27Å; F52-F106 HydrophobicContact CE1-CB 3.87Å; W102-F106 HydrophobicContact CB-CE2 4.42Å; W102-F106 HydrophobicContact CE3-CE1 4.24Å; W102-F106 HydrophobicContact CE3-CZ 4.09Å; W102-F106 WeakPolarHBondContact O-CD2 3.46Å; W102-F106 WeakPolarHBondContact O-CG 3.28Å; W102-F106 PolarHBondContact O-N 3.24Å; H103-F106 PolarHBondContact O-N 3.49Å; F104-F106 PolarHBondContact O-N 2.92Å; F106-I109 HydrophobicContact CD1-CD1 4.37Å; F106-I109 PolarHBondContact O-N 2.82Å; F106-Y110 VanDerWaalsContact O-CB 3.31Å; F106-Y110 WeakPolarHBondContact O-CB 3.21Å; F106-Y110 PolarHBondContact O-N 3.12Å
107C96.7Very high95.9Very high1 Ų160.3 Ų60.31%0.00731%0.308CS..Hα-helixtrans-63.1-41.4171.8-68.60000112H103 F104 I105 Y110 S111 P115 W120H103-C107 PolarHBondContact CE1-SG 3.14Å; H103-C107 PolarHBondContact NE2-SG 3.16Å; H103-C107 PolarHBondContact O-N 3.16Å; H103-C107 PolarHBondContact O-SG 3.36Å; F104-C107 PolarHBondContact O-N 2.79Å; I105-C107 PolarHBondContact O-N 2.95Å; C107-Y110 PolarHBondContact O-N 3.46Å; C107-S111 WeakPolarHBondContact O-CB 3.27Å; C107-S111 PolarHBondContact O-N 3.5Å; C107-P115 HydrophobicContact CB-CG 4.4Å; C107-W120 HydrophobicContact CB-CZ2 4.4Å
108I96.8Very high95.7Very high44 Ų4463.8 Ų63.823%0.22632%0.321CS..Hα-helixtrans-62.5-46.4174.8-69.5168.4000110.9F104 I105 Y110 S112 L114F104-I108 HydrophobicContact CD1-CD1 3.9Å; F104-I108 HydrophobicContact CD2-CD1 4.25Å; F104-I108 HydrophobicContact CE1-CD1 3.42Å; F104-I108 VanDerWaalsContact CE1-CD1 3.42Å; F104-I108 HydrophobicContact CE2-CD1 3.82Å; F104-I108 HydrophobicContact CE2-CG1 4.36Å; F104-I108 HydrophobicContact CG-CD1 4.31Å; F104-I108 HydrophobicContact CZ-CD1 3.4Å; F104-I108 VanDerWaalsContact CZ-CD1 3.4Å; F104-I108 HydrophobicContact CZ-CG1 4.39Å; F104-I108 WeakPolarHBondContact O-CG1 3.32Å; F104-I108 PolarHBondContact O-N 2.78Å; I105-I108 PolarHBondContact O-N 2.97Å; I108-Y110 VanDerWaalsContact C-N 3.32Å; I108-Y110 PolarHBondContact O-N 2.66Å; I108-S112 WeakPolarHBondContact O-CA 3.31Å; I108-S112 PolarHBondContact O-N 2.91Å; I108-L114 HydrophobicContact CD1-CD2 3.68Å; I108-L114 HydrophobicContact CG1-CD2 4.06Å
109I96.8Very high95.6Very high116 Ų11663.5 Ų63.560%0.59532%0.318SS*.Hα-helixtrans-62.4-42.6-179.6-68.9168.2000110.5I105 F106I105-I109 HydrophobicContact CG2-CD1 3.79Å; I105-I109 HydrophobicContact CG2-CG1 4.45Å; I105-I109 WeakPolarHBondContact O-CG1 3.18Å; I105-I109 PolarHBondContact O-N 3.5Å; F106-I109 HydrophobicContact CD1-CD1 4.37Å; F106-I109 PolarHBondContact O-N 2.82Å
110Y96.2Very high95.5Very high96 Ų9663.7 Ų63.738%0.37632%0.319SS..Hα-helixtrans-72.9-48.2-178.5-169.2-90.9000112.7L48 D49 F52 I53 F106 C107 I108 S112L48-Y110 HydrophobicContact CB-CE2 4.44Å; D49-Y110 VanDerWaalsContact OD1-CE1 3.28Å; D49-Y110 WeakPolarHBondContact OD1-CE1 3.41Å; D49-Y110 VanDerWaalsContact OD1-CZ 3.3Å; D49-Y110 PolarHBondContact OD1-OH 2.88Å; F52-Y110 HydrophobicContact CB-CD1 3.44Å; F52-Y110 VanDerWaalsContact CB-CD1 3.44Å; F52-Y110 HydrophobicContact CB-CD2 4.26Å; F52-Y110 HydrophobicContact CB-CE1 4.08Å; F52-Y110 HydrophobicContact CB-CG 3.55Å; F52-Y110 HydrophobicContact CD2-CD2 4.31Å; F52-Y110 HydrophobicContact CD2-CG 4.43Å; F52-Y110 HydrophobicContact CG-CD1 4.39Å; F52-Y110 HydrophobicContact CG-CD2 4.38Å; F52-Y110 HydrophobicContact CG-CG 4.08Å; I53-Y110 HydrophobicContact CD1-CE1 4.06Å; I53-Y110 HydrophobicContact CG1-CD1 3.95Å; I53-Y110 HydrophobicContact CG1-CE1 3.84Å; F106-Y110 VanDerWaalsContact O-CB 3.31Å; F106-Y110 WeakPolarHBondContact O-CB 3.21Å; F106-Y110 PolarHBondContact O-N 3.12Å; C107-Y110 PolarHBondContact O-N 3.46Å; I108-Y110 VanDerWaalsContact C-N 3.32Å; I108-Y110 PolarHBondContact O-N 2.66Å; Y110-S112 VanDerWaalsContact C-N 3.34Å
111S93.7Very high95.5Very high33 Ų3368.2 Ų68.223%0.23134%0.335CS..Hα-helixtrans-79.2-17-177.4-174.60000113.1C107 S113C107-S111 WeakPolarHBondContact O-CB 3.27Å; C107-S111 PolarHBondContact O-N 3.5Å; S111-S113 PolarHBondContact O-N 3.09Å; S111-S113 PolarHBondContact OG-OG 2.84Å
112S93Very high95.4Very high112 Ų11266.3 Ų66.378%0.78333%0.33SS*.SBendtrans51.821.5-167.3-610000113.3I108 Y110I108-S112 WeakPolarHBondContact O-CA 3.31Å; I108-S112 PolarHBondContact O-N 2.91Å; Y110-S112 VanDerWaalsContact C-N 3.34Å
113S92.6Very high95.4Very high45 Ų4561.2 Ų61.232%0.31531%0.311SS..SBendtrans-142.8147.8-175.986.60000109.7S111S111-S113 PolarHBondContact O-N 3.09Å; S111-S113 PolarHBondContact OG-OG 2.84Å
114L92.8Very high95.4Very high109 Ų10961.7 Ų61.757%0.57131%0.313SS*.  trans-71132.4173.9-69173.2000108.8F104 I108 K116F104-L114 HydrophobicContact CZ-CD2 4.42Å; I108-L114 HydrophobicContact CD1-CD2 3.68Å; I108-L114 HydrophobicContact CG1-CD2 4.06Å; L114-K116 VanDerWaalsContact O-CG 3.28Å; L114-K116 WeakPolarHBondContact O-CG 3.47Å; L114-K116 PolarHBondContact O-N 3.42Å; L114-K116 VanDerWaalsContact O-N 3.09Å
115P93.8Very high95.4Very high7 Ų764.8 Ų64.85%0.04533%0.332CS..  trans-54.2115.2172.7-27.334.6000111.2D54 F104 C107 W120 W121D54-P115 HydrophobicContact CB-CB 3.92Å; D54-P115 WeakPolarHBondContact OD2-CA 3.26Å; F104-P115 HydrophobicContact CD2-CG 4.05Å; F104-P115 HydrophobicContact CE2-CG 4.08Å; C107-P115 HydrophobicContact CB-CG 4.4Å; P115-W120 HydrophobicContact CB-CD2 3.81Å; P115-W120 HydrophobicContact CB-CE3 3.49Å; P115-W120 VanDerWaalsContact CB-CE3 3.49Å; P115-W120 HydrophobicContact CB-CG 4.48Å; P115-W120 HydrophobicContact CB-CH2 4.34Å; P115-W120 HydrophobicContact CB-CZ3 3.79Å; P115-W120 HydrophobicContact CG-CD2 4.35Å; P115-W120 HydrophobicContact CG-CE3 4.15Å; P115-W120 HydrophobicContact CG-CH2 4.1Å; P115-W120 HydrophobicContact CG-CZ2 4.24Å; P115-W120 HydrophobicContact CG-CZ3 4.02Å; P115-W121 HydrophobicContact CB-CZ2 4.47Å; P115-W121 PolarHBondContact O-NE1 3.15Å
116K92.7Very high95.4Very high173 Ų17366.1 Ų66.175%0.75234%0.338SS*.  trans-103.7-21.3179.6-58.2-177.5-171.2169.10111.8D54 L114 I118D54-K116 PolarHBondContact OD2-N 3.48Å; L114-K116 VanDerWaalsContact O-CG 3.28Å; L114-K116 WeakPolarHBondContact O-CG 3.47Å; L114-K116 PolarHBondContact O-N 3.42Å; L114-K116 VanDerWaalsContact O-N 3.09Å; K116-I118 PolarHBondContact O-N 3.04Å
117S93Very high95.5Very high22 Ų2262.5 Ų62.515%0.15432%0.323CS..  trans-60.7118.8-179.6179.50000111.1D54 I57 L119 W120 W121D54-S117 WeakPolarHBondContact O-CB 3.16Å; D54-S117 WeakPolarHBondContact OD2-CB 3.25Å; D54-S117 PolarHBondContact OD2-N 2.93Å; I57-S117 PolarHBondContact O-OG 2.78Å; S117-L119 PolarHBondContact O-N 2.85Å; S117-W120 WeakPolarHBondContact O-CB 3.46Å; S117-W120 PolarHBondContact O-N 3.46Å; S117-W120 VanDerWaalsContact O-N 3.16Å; S117-W120 PolarHBondContact OG-N 3.44Å; S117-W121 PolarHBondContact O-N 3.45Å
118I94.2Very high95.6Very high128 Ų12864.1 Ų64.166%0.65633%0.331SS*.Hα-helixtrans-60.8-37.3176.6-63.8172000110.4K116 W120 W121 I122K116-I118 PolarHBondContact O-N 3.04Å; I118-W120 VanDerWaalsContact C-N 3.3Å; I118-W120 PolarHBondContact O-N 2.92Å; I118-W121 PolarHBondContact O-N 3.1Å; I118-I122 HydrophobicContact CG2-CD1 3.76Å; I118-I122 HydrophobicContact CG2-CG1 4.24Å; I118-I122 WeakPolarHBondContact O-CG1 3.44Å; I118-I122 PolarHBondContact O-N 2.84Å
119L94.9Very high95.7Very high36 Ų3664.1 Ų64.119%0.18834%0.338CS..Hα-helixtrans-64.5-37.1178-67.6176.9000111.8I57 F59 S117 W121 I122 V123I57-L119 HydrophobicContact CG2-CB 3.89Å; F59-L119 HydrophobicContact CB-CD1 4.09Å; F59-L119 HydrophobicContact CD1-CD1 4.08Å; F59-L119 HydrophobicContact CD2-CD1 3.79Å; F59-L119 HydrophobicContact CD2-CD2 3.96Å; F59-L119 HydrophobicContact CE1-CD1 4.48Å; F59-L119 HydrophobicContact CE2-CD1 4.24Å; F59-L119 HydrophobicContact CE2-CD2 3.91Å; F59-L119 HydrophobicContact CG-CD1 3.7Å; S117-L119 PolarHBondContact O-N 2.85Å; L119-W121 VanDerWaalsContact C-N 3.34Å; L119-I122 PolarHBondContact O-N 3.4Å; L119-V123 WeakPolarHBondContact O-CG1 3.49Å; L119-V123 PolarHBondContact O-N 2.88Å
120W96Very high95.7Very high4 Ų460.9 Ų60.92%0.01532%0.321CS..Hα-helixtrans-61.9-42.7173.9-174.892.7000111.2D54 H103 F104 C107 P115 S117 I118 V123 N124D54-W120 HydrophobicContact CB-CB 3.94Å; D54-W120 HydrophobicContact CB-CD2 4.39Å; D54-W120 HydrophobicContact CB-CG 3.75Å; H103-W120 AromaticContact CD2-CZ2 3.81Å; H103-W120 AromaticContact NE2-CZ2 3.97Å; H103-W120 AromaticContact NE2-NE1 3.93Å; F104-W120 HydrophobicContact CB-CH2 4.02Å; F104-W120 AromaticContact CD2-CH2 3.65Å; F104-W120 HydrophobicContact CD2-CH2 3.65Å; F104-W120 AromaticContact CD2-CZ3 3.98Å; F104-W120 HydrophobicContact CD2-CZ3 3.98Å; F104-W120 HydrophobicContact CG-CH2 4.33Å; C107-W120 HydrophobicContact CB-CZ2 4.4Å; P115-W120 HydrophobicContact CB-CD2 3.81Å; P115-W120 HydrophobicContact CB-CE3 3.49Å; P115-W120 VanDerWaalsContact CB-CE3 3.49Å; P115-W120 HydrophobicContact CB-CG 4.48Å; P115-W120 HydrophobicContact CB-CH2 4.34Å; P115-W120 HydrophobicContact CB-CZ3 3.79Å; P115-W120 HydrophobicContact CG-CD2 4.35Å; P115-W120 HydrophobicContact CG-CE3 4.15Å; P115-W120 HydrophobicContact CG-CH2 4.1Å; P115-W120 HydrophobicContact CG-CZ2 4.24Å; P115-W120 HydrophobicContact CG-CZ3 4.02Å; S117-W120 WeakPolarHBondContact O-CB 3.46Å; S117-W120 PolarHBondContact O-N 3.46Å; S117-W120 VanDerWaalsContact O-N 3.16Å; S117-W120 PolarHBondContact OG-N 3.44Å; I118-W120 VanDerWaalsContact C-N 3.3Å; I118-W120 PolarHBondContact O-N 2.92Å; W120-V123 WeakPolarHBondContact O-CG1 3.37Å; W120-N124 WeakPolarHBondContact CZ2-ND2 3.06Å; W120-N124 PolarHBondContact O-N 3.13Å; W120-N124 VanDerWaalsContact O-N 3.16Å; W120-N124 PolarHBondContact O-ND2 2.85Å
121W96.9Very high95.8Very high106 Ų10656.3 Ų56.340%0.40230%0.303SS..Hα-helixtrans-65.8-44.2175.6-72.9105.4000112.7F104 P115 S117 I118 L119 N124 L125F104-W121 AromaticContact CD2-CH2 3.83Å; F104-W121 HydrophobicContact CD2-CH2 3.83Å; F104-W121 HydrophobicContact CD2-CZ2 4.33Å; F104-W121 AromaticContact CE2-CH2 3.4Å; F104-W121 HydrophobicContact CE2-CH2 3.4Å; F104-W121 VanDerWaalsContact CE2-CH2 3.4Å; F104-W121 AromaticContact CE2-CZ2 3.7Å; F104-W121 HydrophobicContact CE2-CZ2 3.7Å; F104-W121 HydrophobicContact CE2-CZ3 4.47Å; F104-W121 HydrophobicContact CZ-CH2 4.05Å; F104-W121 HydrophobicContact CZ-CZ2 4.5Å; P115-W121 HydrophobicContact CB-CZ2 4.47Å; P115-W121 PolarHBondContact O-NE1 3.15Å; S117-W121 PolarHBondContact O-N 3.45Å; I118-W121 PolarHBondContact O-N 3.1Å; L119-W121 VanDerWaalsContact C-N 3.34Å; W121-N124 PolarHBondContact O-N 2.88Å; W121-L125 WeakPolarHBondContact O-CB 3.25Å; W121-L125 WeakPolarHBondContact O-CG 3.33Å; W121-L125 PolarHBondContact O-N 2.9Å
122I97.2Very high96Very high80 Ų8055.3 Ų55.341%0.4130%0.296SS..Hα-helixtrans-60.5-47.9178.7-70.5170.6000110.7F68 I118 L119 N124 L125 L126F68-I122 HydrophobicContact CE2-CG2 4.47Å; I118-I122 HydrophobicContact CG2-CD1 3.76Å; I118-I122 HydrophobicContact CG2-CG1 4.24Å; I118-I122 WeakPolarHBondContact O-CG1 3.44Å; I118-I122 PolarHBondContact O-N 2.84Å; L119-I122 PolarHBondContact O-N 3.4Å; I122-N124 PolarHBondContact O-N 2.95Å; I122-L125 PolarHBondContact O-N 3.32Å; I122-L126 VanDerWaalsContact O-CB 3.3Å; I122-L126 WeakPolarHBondContact O-CB 3.16Å; I122-L126 PolarHBondContact O-N 2.91Å
123V96.9Very high96.2Very high1 Ų154.8 Ų54.81%0.00629%0.288CS..Hα-helixtrans-64.9-40.8-177.875.60000111.2I57 F68 F71 L72 L119 W120 L126 S127I57-V123 HydrophobicContact CD1-CG1 4.11Å; F68-V123 HydrophobicContact CD2-CB 3.82Å; F68-V123 HydrophobicContact CD2-CG2 3.9Å; F68-V123 HydrophobicContact CE2-CB 3.78Å; F68-V123 HydrophobicContact CE2-CG2 4.05Å; F68-V123 HydrophobicContact CG-CG2 4.44Å; F71-V123 HydrophobicContact CB-CG1 4.47Å; F71-V123 HydrophobicContact CB-CG2 3.6Å; L72-V123 HydrophobicContact CD2-CG2 3.96Å; L72-V123 HydrophobicContact CG-CG2 3.95Å; L119-V123 WeakPolarHBondContact O-CG1 3.49Å; L119-V123 PolarHBondContact O-N 2.88Å; W120-V123 WeakPolarHBondContact O-CG1 3.37Å; V123-L126 PolarHBondContact O-N 3.18Å; V123-S127 VanDerWaalsContact O-CB 3.3Å; V123-S127 WeakPolarHBondContact O-CB 3.48Å; V123-S127 PolarHBondContact O-N 2.71Å; V123-S127 PolarHBondContact O-OG 3.3Å
124N97.4Very high96.5Very high10 Ų1056 Ų565%0.05329%0.29CS..Hα-helixtrans-64.8-43.9176.9-82.6-88.8000112.3H100 H103 W120 W121 I122 S127 I128H100-N124 PolarHBondContact CD2-OD1 2.8Å; H103-N124 PolarHBondContact CD2-OD1 2.95Å; W120-N124 WeakPolarHBondContact CZ2-ND2 3.06Å; W120-N124 PolarHBondContact O-N 3.13Å; W120-N124 VanDerWaalsContact O-N 3.16Å; W120-N124 PolarHBondContact O-ND2 2.85Å; W121-N124 PolarHBondContact O-N 2.88Å; I122-N124 PolarHBondContact O-N 2.95Å; N124-S127 PolarHBondContact O-N 3.49Å; N124-I128 VanDerWaalsContact O-CG1 3.31Å; N124-I128 WeakPolarHBondContact O-CG1 3.5Å; N124-I128 PolarHBondContact O-N 3.18Å
125L98Very high96.7Very high114 Ų11450.9 Ų50.960%0.59726%0.262SS*.Hα-helixtrans-64.1-42176.8-72175000111.9W121 I122 I128 A129W121-L125 WeakPolarHBondContact O-CB 3.25Å; W121-L125 WeakPolarHBondContact O-CG 3.33Å; W121-L125 PolarHBondContact O-N 2.9Å; I122-L125 PolarHBondContact O-N 3.32Å; L125-I128 PolarHBondContact O-N 3.47Å; L125-A129 PolarHBondContact O-N 3.14Å
126L98.2Very high96.8Very high74 Ų7453.7 Ų53.739%0.38728%0.275SS..Hα-helixtrans-66.9-38.9177.1-175.252.9000111.1L72 I122 V123 A129 I130L72-L126 HydrophobicContact CD1-CD2 4.18Å; L72-L126 HydrophobicContact CD2-CB 3.94Å; L72-L126 HydrophobicContact CD2-CD2 3.47Å; L72-L126 VanDerWaalsContact CD2-CD2 3.47Å; L72-L126 HydrophobicContact CD2-CG 3.54Å; L72-L126 HydrophobicContact CG-CD2 4.5Å; I122-L126 VanDerWaalsContact O-CB 3.3Å; I122-L126 WeakPolarHBondContact O-CB 3.16Å; I122-L126 PolarHBondContact O-N 2.91Å; V123-L126 PolarHBondContact O-N 3.18Å; L126-A129 PolarHBondContact O-N 2.99Å; L126-I130 HydrophobicContact CD1-CD1 4.12Å; L126-I130 HydrophobicContact CD1-CG1 4.21Å; L126-I130 HydrophobicContact CG-CD1 3.89Å; L126-I130 HydrophobicContact CG-CG1 4.44Å; L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.36Å; L126-I130 PolarHBondContact O-N 2.53Å
127S98Very high97Very high2 Ų250.4 Ų50.41%0.01426%0.261CS..Hα-helixtrans-65.9-38.8175.6-65.20000112.5F71 P75 H100 V123 N124 I130 M131F71-S127 PolarHBondContact O-OG 2.9Å; P75-S127 WeakPolarHBondContact CB-O 3.33Å; H100-S127 VanDerWaalsContact NE2-CB 3.32Å; H100-S127 WeakPolarHBondContact NE2-CB 3.19Å; V123-S127 VanDerWaalsContact O-CB 3.3Å; V123-S127 WeakPolarHBondContact O-CB 3.48Å; V123-S127 PolarHBondContact O-N 2.71Å; V123-S127 PolarHBondContact O-OG 3.3Å; N124-S127 PolarHBondContact O-N 3.49Å; S127-I130 PolarHBondContact O-N 3.41Å; S127-M131 WeakPolarHBondContact O-CB 3.28Å; S127-M131 PolarHBondContact O-N 2.95Å
128I98.3Very high97.1Very high34 Ų3451.4 Ų51.417%0.17426%0.264CS..Hα-helixtrans-58.1-50.1169.4-67.6162000109.8H100 N124 L125 I130 M131 T132H100-I128 HydrophobicContact CB-CD1 3.8Å; H100-I128 HydrophobicContact CB-CG1 3.83Å; H100-I128 VanDerWaalsContact CG-CG1 3.42Å; H100-I128 VanDerWaalsContact ND1-CG1 3.34Å; H100-I128 WeakPolarHBondContact ND1-CG1 3.47Å; N124-I128 VanDerWaalsContact O-CG1 3.31Å; N124-I128 WeakPolarHBondContact O-CG1 3.5Å; N124-I128 PolarHBondContact O-N 3.18Å; L125-I128 PolarHBondContact O-N 3.47Å; I128-I130 PolarHBondContact O-N 3.35Å; I128-M131 PolarHBondContact O-N 2.96Å; I128-T132 HydrophobicContact CG2-CG2 4.24Å; I128-T132 WeakPolarHBondContact O-CB 3.32Å; I128-T132 VanDerWaalsContact O-CG2 3.23Å; I128-T132 WeakPolarHBondContact O-CG2 3.21Å; I128-T132 PolarHBondContact O-N 3.37Å; I128-T132 PolarHBondContact O-OG1 3.43Å
129A98.3Very high97.1Very high45 Ų4545.3 Ų45.337%0.37223%0.233SC..Hα-helixtrans-61.1-45-17900000112.7L125 L126 T132 V133L125-A129 PolarHBondContact O-N 3.14Å; L126-A129 PolarHBondContact O-N 2.99Å; A129-T132 WeakPolarHBondContact CA-OG1 3.34Å; A129-T132 PolarHBondContact O-OG1 2.91Å; A129-V133 WeakPolarHBondContact O-CB 3.18Å; A129-V133 VanDerWaalsContact O-CG2 3.29Å; A129-V133 WeakPolarHBondContact O-CG2 3.47Å; A129-V133 PolarHBondContact O-N 3.08Å
130I98.2Very high97.1Very high47 Ų4747.8 Ų47.824%0.24125%0.245CC..Hα-helixtrans-63.6-47.1178.1-68.4166.6000110.5L72 P75 L76 L126 S127 I128 T132 M134L72-I130 HydrophobicContact CD2-CD1 3.97Å; P75-I130 HydrophobicContact CB-CB 4.19Å; P75-I130 HydrophobicContact CB-CG2 3.97Å; P75-I130 HydrophobicContact CG-CB 4.04Å; P75-I130 HydrophobicContact CG-CD1 4.5Å; P75-I130 HydrophobicContact CG-CG2 3.81Å; L76-I130 HydrophobicContact CD2-CG2 3.81Å; L126-I130 HydrophobicContact CD1-CD1 4.12Å; L126-I130 HydrophobicContact CD1-CG1 4.21Å; L126-I130 HydrophobicContact CG-CD1 3.89Å; L126-I130 HydrophobicContact CG-CG1 4.44Å; L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.36Å; L126-I130 PolarHBondContact O-N 2.53Å; S127-I130 PolarHBondContact O-N 3.41Å; I128-I130 PolarHBondContact O-N 3.35Å; I130-T132 VanDerWaalsContact C-N 3.35Å; I130-T132 PolarHBondContact O-N 3.39Å; I130-M134 WeakPolarHBondContact O-CB 3.44Å; I130-M134 PolarHBondContact O-N 2.98Å
131M97.9Very high96.9Very high0 Ų055.1 Ų55.10%027%0.272CS..Hα-helixtrans-66-38.7-176.7-165.1160.869.500112.3P75 C78 L82 S96 I99 S127 I128 G135P75-M131 HydrophobicContact CB-CB 3.68Å; P75-M131 HydrophobicContact CB-CG 4.3Å; P75-M131 HydrophobicContact CB-SD 4.43Å; C78-M131 HydrophobicContact CB-CG 4.14Å; C78-M131 HydrophobicContact CB-SD 3.22Å; C78-M131 WeakPolarHBondContact CB-SD 3.32Å; L82-M131 HydrophobicContact CD1-CG 3.74Å; L82-M131 HydrophobicContact CD1-SD 4.43Å; S96-M131 VanDerWaalsContact OG-CE 3.28Å; S96-M131 WeakPolarHBondContact OG-CE 3.31Å; I99-M131 HydrophobicContact CB-CE 4.31Å; I99-M131 HydrophobicContact CD1-CE 3.73Å; I99-M131 HydrophobicContact CD1-SD 4.24Å; I99-M131 HydrophobicContact CG2-CE 4.39Å; S127-M131 WeakPolarHBondContact O-CB 3.28Å; S127-M131 PolarHBondContact O-N 2.95Å; I128-M131 PolarHBondContact O-N 2.96Å; M131-G135 WeakPolarHBondContact O-CA 3.46Å; M131-G135 PolarHBondContact O-N 3.43Å
132T97.6Very high96.6Very high13 Ų1352.3 Ų52.38%0.0827%0.269CS..Hα-helixtrans-66.7-54.6176.548.60000111.7L93 S96 I128 A129 I130 M134 G135 E136L93-T132 HydrophobicContact CB-CG2 4.02Å; L93-T132 HydrophobicContact CG-CG2 4.19Å; S96-T132 VanDerWaalsContact CB-CG2 3.44Å; S96-T132 WeakPolarHBondContact OG-CG2 3.32Å; I128-T132 HydrophobicContact CG2-CG2 4.24Å; I128-T132 WeakPolarHBondContact O-CB 3.32Å; I128-T132 VanDerWaalsContact O-CG2 3.23Å; I128-T132 WeakPolarHBondContact O-CG2 3.21Å; I128-T132 PolarHBondContact O-N 3.37Å; I128-T132 PolarHBondContact O-OG1 3.43Å; A129-T132 WeakPolarHBondContact CA-OG1 3.34Å; A129-T132 PolarHBondContact O-OG1 2.91Å; I130-T132 VanDerWaalsContact C-N 3.35Å; I130-T132 PolarHBondContact O-N 3.39Å; T132-M134 PolarHBondContact O-N 2.97Å; T132-G135 PolarHBondContact O-N 3.49Å; T132-E136 VanDerWaalsContact O-CB 3.31Å; T132-E136 WeakPolarHBondContact O-CB 3.33Å; T132-E136 VanDerWaalsContact O-CG 3.28Å; T132-E136 WeakPolarHBondContact O-CG 3.35Å; T132-E136 PolarHBondContact O-N 2.99Å
133V97.8Very high96.1Very high100 Ų10054.1 Ų54.161%0.60628%0.276SS*.Hα-helixtrans-60-46.2-179172.40000111.3A129 F137A129-V133 WeakPolarHBondContact O-CB 3.18Å; A129-V133 VanDerWaalsContact O-CG2 3.29Å; A129-V133 WeakPolarHBondContact O-CG2 3.47Å; A129-V133 PolarHBondContact O-N 3.08Å; V133-F137 VanDerWaalsContact O-CB 3.31Å; V133-F137 WeakPolarHBondContact O-CB 3.34Å; V133-F137 PolarHBondContact O-N 3.16Å
134M97.6Very high95.7Very high72 Ų7259.6 Ų59.636%0.35530%0.302SS..Hα-helixtrans-69.3-41.7179.9-168.664.869.600111.7L76 S79 I130 T132 F137 L138L76-M134 HydrophobicContact CD2-CE 4.22Å; S79-M134 WeakPolarHBondContact OG-CG 3.32Å; I130-M134 WeakPolarHBondContact O-CB 3.44Å; I130-M134 PolarHBondContact O-N 2.98Å; T132-M134 PolarHBondContact O-N 2.97Å; M134-F137 PolarHBondContact O-N 3.18Å; M134-L138 HydrophobicContact CG-CD1 4.25Å; M134-L138 VanDerWaalsContact O-CG 3.29Å; M134-L138 WeakPolarHBondContact O-CG 3.17Å; M134-L138 PolarHBondContact O-N 2.87Å
135G97.4Very high95.1Very high0 Ų062.3 Ų62.30%033%0.326CS..Hα-helixtrans-63-44.6177.400000112.2C92 M131 T132 L138 C139C92-G135 VanDerWaalsContact SG-C 3.58Å; M131-G135 WeakPolarHBondContact O-CA 3.46Å; M131-G135 PolarHBondContact O-N 3.43Å; T132-G135 PolarHBondContact O-N 3.49Å; G135-L138 PolarHBondContact O-N 3.49Å; G135-C139 WeakPolarHBondContact O-CB 3.18Å; G135-C139 PolarHBondContact O-N 3.18Å; G135-C139 PolarHBondContact O-SG 3.39Å
136E97Very high93.9Very high67 Ų6764.3 Ų64.331%0.31334%0.338SS..Hα-helixtrans-61.1-47.7174.6-75.9178.8177.800111C92 T132 L138 C139 M140C92-E136 HydrophobicContact CB-CG 3.9Å; T132-E136 VanDerWaalsContact O-CB 3.31Å; T132-E136 WeakPolarHBondContact O-CB 3.33Å; T132-E136 VanDerWaalsContact O-CG 3.28Å; T132-E136 WeakPolarHBondContact O-CG 3.35Å; T132-E136 PolarHBondContact O-N 2.99Å; E136-L138 PolarHBondContact O-N 3.27Å; E136-C139 PolarHBondContact O-N 3.41Å; E136-M140 VanDerWaalsContact O-CB 3.29Å; E136-M140 WeakPolarHBondContact O-CB 3.35Å; E136-M140 WeakPolarHBondContact O-CG 3.16Å; E136-M140 PolarHBondContact O-N 3.33Å
137F96Very high92.8Very high104 Ų10467.9 Ų67.946%0.45636%0.355SS..Hα-helixtrans-56.6-48.9178.1177.8-98.9000111.9V133 M134 R141V133-F137 VanDerWaalsContact O-CB 3.31Å; V133-F137 WeakPolarHBondContact O-CB 3.34Å; V133-F137 PolarHBondContact O-N 3.16Å; M134-F137 PolarHBondContact O-N 3.18Å; F137-R141 HydrophobicContact CE1-CG 4.23Å; F137-R141 HydrophobicContact CE2-CG 4.4Å; F137-R141 HydrophobicContact CZ-CG 4.16Å; F137-R141 WeakPolarHBondContact O-CB 3.39Å; F137-R141 VanDerWaalsContact O-CG 3.23Å; F137-R141 WeakPolarHBondContact O-CG 3.11Å; F137-R141 PolarHBondContact O-N 3.29Å
138L95.7Very high91.6Very high42 Ų4272.9 Ų72.922%0.2239%0.388CS..Hα-helixtrans-63.7-45.7178.8-69172.2000111.8I80 W83 M134 G135 E136 R141 S142I80-L138 HydrophobicContact CG1-CD1 4.24Å; W83-L138 HydrophobicContact CB-CB 3.87Å; W83-L138 HydrophobicContact CB-CD1 4.22Å; W83-L138 HydrophobicContact CD2-CB 4.46Å; W83-L138 HydrophobicContact CG-CB 3.81Å; W83-L138 PolarHBondContact NE1-O 2.95Å; M134-L138 HydrophobicContact CG-CD1 4.25Å; M134-L138 VanDerWaalsContact O-CG 3.29Å; M134-L138 WeakPolarHBondContact O-CG 3.17Å; M134-L138 PolarHBondContact O-N 2.87Å; G135-L138 PolarHBondContact O-N 3.49Å; E136-L138 PolarHBondContact O-N 3.27Å; L138-R141 PolarHBondContact O-N 3.25Å; L138-S142 PolarHBondContact O-N 2.95Å; L138-S142 PolarHBondContact O-OG 2.99Å
139C94.3Very high90.3Very high0 Ų078.5 Ų78.50%042%0.418CS..Hα-helixtrans-64.7-44.3178.8-67.30000112.3C92 G135 E136 R141 S142 E143C92-C139 VanDerWaalsContact SG-SG 3.68Å; G135-C139 WeakPolarHBondContact O-CB 3.18Å; G135-C139 PolarHBondContact O-N 3.18Å; G135-C139 PolarHBondContact O-SG 3.39Å; E136-C139 PolarHBondContact O-N 3.41Å; C139-R141 VanDerWaalsContact C-N 3.31Å; C139-R141 PolarHBondContact O-N 3.13Å; C139-S142 WeakPolarHBondContact CA-OG 3.28Å; C139-S142 PolarHBondContact O-N 2.86Å; C139-S142 PolarHBondContact O-OG 3.18Å; C139-E143 WeakPolarHBondContact O-CB 3.39Å; C139-E143 PolarHBondContact O-N 3.01Å
140M94.2Very high88.7Confident88 Ų8887.9 Ų87.943%0.43344%0.443SS..Hα-helixtrans-61-41.6177.3-74.1179.867.600111.2E136 S142 E143 M144E136-M140 VanDerWaalsContact O-CB 3.29Å; E136-M140 WeakPolarHBondContact O-CB 3.35Å; E136-M140 WeakPolarHBondContact O-CG 3.16Å; E136-M140 PolarHBondContact O-N 3.33Å; M140-S142 VanDerWaalsContact C-N 3.29Å; M140-S142 PolarHBondContact O-N 3.41Å; M140-E143 PolarHBondContact O-N 3.45Å; M140-M144 HydrophobicContact CB-CE 4.21Å; M140-M144 WeakPolarHBondContact O-CB 3.47Å; M140-M144 WeakPolarHBondContact O-CE 3.2Å; M140-M144 VanDerWaalsContact O-CG 3.29Å; M140-M144 WeakPolarHBondContact O-CG 3.26Å; M140-M144 PolarHBondContact O-N 2.9Å
141R92.3Very high87.1Confident158 Ų15888.9 Ų88.960%0.59646%0.455SS*.Hα-helixtrans-60-39.3176-74.3-71.4-176-1791.1112.2F137 L138 C139 A145F137-R141 HydrophobicContact CE1-CG 4.23Å; F137-R141 HydrophobicContact CE2-CG 4.4Å; F137-R141 HydrophobicContact CZ-CG 4.16Å; F137-R141 WeakPolarHBondContact O-CB 3.39Å; F137-R141 VanDerWaalsContact O-CG 3.23Å; F137-R141 WeakPolarHBondContact O-CG 3.11Å; F137-R141 PolarHBondContact O-N 3.29Å; L138-R141 PolarHBondContact O-N 3.25Å; C139-R141 VanDerWaalsContact C-N 3.31Å; C139-R141 PolarHBondContact O-N 3.13Å; R141-A145 PolarHBondContact O-N 3.45Å
142S89.5Confident85.3Confident47 Ų4793.7 Ų93.733%0.32948%0.484SS..Hα-helixtrans-74.9-31.1174.850.30000114.1W83 L138 C139 M140W83-S142 PolarHBondContact NE1-OG 3.34Å; L138-S142 PolarHBondContact O-N 2.95Å; L138-S142 PolarHBondContact O-OG 2.99Å; C139-S142 WeakPolarHBondContact CA-OG 3.28Å; C139-S142 PolarHBondContact O-N 2.86Å; C139-S142 PolarHBondContact O-OG 3.18Å; M140-S142 VanDerWaalsContact C-N 3.29Å; M140-S142 PolarHBondContact O-N 3.41Å
143E88.3Confident83.6Confident119 Ų119103.1 Ų103.156%0.55652%0.52SS*.Hα-helixtrans-73.3-32.3178.2-172171.9-171.700111.8C139 M140C139-E143 WeakPolarHBondContact O-CB 3.39Å; C139-E143 PolarHBondContact O-N 3.01Å; M140-E143 PolarHBondContact O-N 3.45Å
144M87.1Confident81.9Confident115 Ų115103.4 Ų103.457%0.56753%0.526SS*.SBendtrans-83.9-7.1176.2-67-175.3-65.200114M140 D146M140-M144 HydrophobicContact CB-CE 4.21Å; M140-M144 WeakPolarHBondContact O-CB 3.47Å; M140-M144 WeakPolarHBondContact O-CE 3.2Å; M140-M144 VanDerWaalsContact O-CG 3.29Å; M140-M144 WeakPolarHBondContact O-CG 3.26Å; M140-M144 PolarHBondContact O-N 2.9Å; M144-D146 PolarHBondContact O-N 3.42Å
145A85.8Confident80.1Confident67 Ų67107 Ų10755%0.55455%0.546SS*.SBendtrans-64.9121.5175.300000108.9R141 I147R141-A145 PolarHBondContact O-N 3.45Å; A145-I147 PolarHBondContact O-N 2.8Å
146D72.8Confident78.2Confident157 Ų157115.9 Ų115.984%0.8461%0.607SS**PPolyproline II helixtrans-51.4133.9-170.1-69.4-45000112.5M144 P148M144-D146 PolarHBondContact O-N 3.42Å; D146-P148 WeakPolarHBondContact O-CD 3.46Å
147I75.5Confident77.2Confident148 Ų148118.3 Ų118.376%0.75962%0.622SS**PPolyproline II helixtrans-61.4120.8167.2-60.8168.2000106.1A145 L149A145-I147 PolarHBondContact O-N 2.8Å; I147-L149 PolarHBondContact O-N 3.37Å
148P71.3Confident76.2Confident108 Ų108119.1 Ų119.170%0.70163%0.631SS**  trans-61.6108.5173.924.6-31.4000107.2D146 R150D146-P148 WeakPolarHBondContact O-CD 3.46Å; P148-R150 PolarHBondContact O-N 3.1Å
149L72.6Confident75.2Confident152 Ų152123.3 Ų123.380%0.79665%0.653SS**  trans-61.994.6167.4-67.8173.1000105.7I147 S151I147-L149 PolarHBondContact O-N 3.37Å; L149-S151 PolarHBondContact O-N 3.04Å
150R64.8Low74Confident241 Ų241130.6 Ų130.691%0.90969%0.692SS**  trans-67.661.2153.4-74.8-172.7-178-134.52.3107.2P148 T152P148-R150 PolarHBondContact O-N 3.1Å; R150-T152 PolarHBondContact O-N 2.87Å
151S63.8Low72.8Confident68 Ų68133.3 Ų133.348%0.47671%0.708SS.*  trans-71.192.9165.255.90000105.8L149 Y153L149-S151 PolarHBondContact O-N 3.04Å; S151-Y153 PolarHBondContact O-N 3.23Å
152T60.7Low71.5Confident102 Ų102131.6 Ų131.663%0.62672%0.715SS**  29.950.9128-36.70000116.5R150 I155R150-T152 PolarHBondContact O-N 2.87Å; T152-I155 HydrophobicContact CG2-CD1 4.08Å; T152-I155 HydrophobicContact CG2-CG1 4.11Å
153Y60.8Low70.2Confident211 Ų211137.6 Ų137.683%0.82774%0.743SS**  trans-844.9157.2-89.4-79.7000111.5S151 I155S151-Y153 PolarHBondContact O-N 3.23Å; Y153-I155 VanDerWaalsContact C-N 3.26Å; Y153-I155 PolarHBondContact O-N 3.17Å
154S61.9Low68.8Low105 Ų105139.1 Ų139.173%0.73476%0.757SS**  trans-90.948.7168.869.10000111.7
155I59.6Low67.3Low149 Ų149141.1 Ų141.176%0.76477%0.773SS**  trans-141.976.5154.7-48177.7000107.6T152 Y153T152-I155 HydrophobicContact CG2-CD1 4.08Å; T152-I155 HydrophobicContact CG2-CG1 4.11Å; Y153-I155 VanDerWaalsContact C-N 3.26Å; Y153-I155 PolarHBondContact O-N 3.17Å
156S57.6Low65.6Low185 Ų185147.8 Ų147.8100%1.29479%0.793SS**  trans-142.30149.368.10000108.1

Retrieved 156 of 156 residues in 71.1 ms (Link to these results)

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