A0A077Z6A8_TRITR Loading...

Troponin C

AlphaFold DB , UniProt , Accession A0A077Z6A8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M51.2Low72Confident99 Ų9979.6 Ų79.649%0.48845%0.446SS..  0150.80-73.7-163.7153.500109.1E63 F64M1-E63 HydrophobicContact CE-CB 4.26Å; M1-E63 WeakPolarHBondContact CE-OE1 3.33Å; M1-E63 WeakPolarHBondContact CG-O 2.87Å; M1-E63 HydrophobicContact SD-CB 4.38Å; M1-F64 HydrophobicContact SD-CE1 4.49Å; M1-F64 HydrophobicContact SD-CZ 4.39Å
2T55Low72.5Confident93 Ų9383.3 Ų83.357%0.57146%0.457SS*.  trans-77.6152.8174.844.60000109.4E4 A5T2-E4 PolarHBondContact O-N 2.88Å; T2-A5 PolarHBondContact O-N 2.79Å; T2-A5 VanDerWaalsContact O-N 3.1Å
3S69.2Low73.2Confident95 Ų9577.8 Ų77.866%0.66443%0.426SS*.Hα-helixtrans-47.7-32170.1-50.40000112A5 V6 E7S3-A5 PolarHBondContact O-N 3Å; S3-V6 PolarHBondContact O-N 2.91Å; S3-E7 WeakPolarHBondContact O-CB 3.43Å; S3-E7 WeakPolarHBondContact O-CG 3.32Å; S3-E7 PolarHBondContact O-N 3.18Å
4E72.9Confident74Confident145 Ų14577.2 Ų77.268%0.67843%0.431SS*.Hα-helixtrans-59.2-44.6178.4-155.216883.500113.8T2 V6 E7 E8T2-E4 PolarHBondContact O-N 2.88Å; E4-V6 VanDerWaalsContact C-N 3.33Å; E4-V6 PolarHBondContact O-N 3.18Å; E4-E7 PolarHBondContact O-N 3.4Å; E4-E8 WeakPolarHBondContact O-CB 3.43Å; E4-E8 PolarHBondContact O-N 2.86Å
5A69.5Low74.8Confident36 Ų3680.9 Ų80.930%0.29845%0.449SS..Hα-helixtrans-69.3-32.7178.600000112.3T2 S3 A9T2-A5 PolarHBondContact O-N 2.79Å; T2-A5 VanDerWaalsContact O-N 3.1Å; S3-A5 PolarHBondContact O-N 3Å; A5-A9 VanDerWaalsContact O-CB 3.32Å; A5-A9 WeakPolarHBondContact O-CB 2.96Å; A5-A9 PolarHBondContact O-N 2.8Å
6V75.2Confident75.6Confident20 Ų2085.8 Ų85.812%0.12147%0.468CS..Hα-helixtrans-68.3-45.8173.6172.60000109.7S3 E4 E8 A9 L10 F64 E75 A79S3-V6 PolarHBondContact O-N 2.91Å; E4-V6 VanDerWaalsContact C-N 3.33Å; E4-V6 PolarHBondContact O-N 3.18Å; V6-E8 PolarHBondContact O-N 3.35Å; V6-A9 PolarHBondContact O-N 3.5Å; V6-L10 HydrophobicContact CG1-CD1 3.93Å; V6-L10 HydrophobicContact CG1-CG 4.39Å; V6-L10 VanDerWaalsContact O-CB 3.3Å; V6-L10 WeakPolarHBondContact O-CB 3.27Å; V6-L10 WeakPolarHBondContact O-CG 3.43Å; V6-L10 PolarHBondContact O-N 3.42Å; V6-F64 HydrophobicContact CG2-CD1 4.4Å; V6-F64 HydrophobicContact CG2-CE1 4.33Å; V6-E75 HydrophobicContact CG1-CB 3.99Å; V6-A79 HydrophobicContact CB-CB 4.16Å; V6-A79 HydrophobicContact CG1-CB 3.88Å; V6-A79 HydrophobicContact CG2-CB 4.17Å
7E79.8Confident76.1Confident128 Ų12884.4 Ų84.460%0.59846%0.457SS*.Hα-helixtrans-61.4-42.6176.8-73.6178.4128.400111.9S3 E4 L10 S11S3-E7 WeakPolarHBondContact O-CB 3.43Å; S3-E7 WeakPolarHBondContact O-CG 3.32Å; S3-E7 PolarHBondContact O-N 3.18Å; E4-E7 PolarHBondContact O-N 3.4Å; E7-L10 PolarHBondContact O-N 3.25Å; E7-S11 WeakPolarHBondContact O-CB 3.32Å; E7-S11 PolarHBondContact O-N 3.02Å
8E78.3Confident76.8Confident127 Ų12782.3 Ų82.359%0.59345%0.445SS*.Hα-helixtrans-63.5-51.4177.4-170.7174.88400111E4 V6 L10 S11 Q12E4-E8 WeakPolarHBondContact O-CB 3.43Å; E4-E8 PolarHBondContact O-N 2.86Å; V6-E8 PolarHBondContact O-N 3.35Å; E8-L10 VanDerWaalsContact C-N 3.26Å; E8-L10 PolarHBondContact O-N 2.94Å; E8-S11 WeakPolarHBondContact O-CB 3.47Å; E8-S11 PolarHBondContact O-N 2.94Å; E8-S11 PolarHBondContact O-OG 3.02Å; E8-Q12 WeakPolarHBondContact O-CG 3.3Å; E8-Q12 PolarHBondContact O-N 3.39Å
9A77.2Confident77.5Confident18 Ų1885.3 Ų85.315%0.14946%0.456CS..Hα-helixtrans-59.1-38.2176.700000112.2A5 V6 A79 A82A5-A9 VanDerWaalsContact O-CB 3.32Å; A5-A9 WeakPolarHBondContact O-CB 2.96Å; A5-A9 PolarHBondContact O-N 2.8Å; V6-A9 PolarHBondContact O-N 3.5Å; A9-A79 HydrophobicContact CB-CB 3.79Å; A9-A82 HydrophobicContact CB-CB 4.17Å
10L82.1Confident78.1Confident33 Ų3385.9 Ų85.917%0.17346%0.456CS..Hα-helixtrans-68.7-35.1174.9-74.4178.1000112.8V6 E7 E8 Q12 L13 E75 A78V6-L10 HydrophobicContact CG1-CD1 3.93Å; V6-L10 HydrophobicContact CG1-CG 4.39Å; V6-L10 VanDerWaalsContact O-CB 3.3Å; V6-L10 WeakPolarHBondContact O-CB 3.27Å; V6-L10 WeakPolarHBondContact O-CG 3.43Å; V6-L10 PolarHBondContact O-N 3.42Å; E7-L10 PolarHBondContact O-N 3.25Å; E8-L10 VanDerWaalsContact C-N 3.26Å; E8-L10 PolarHBondContact O-N 2.94Å; L10-Q12 PolarHBondContact O-N 3.16Å; L10-L13 HydrophobicContact CD2-CD1 4.04Å; L10-L13 WeakPolarHBondContact O-CB 3.33Å; L10-L13 PolarHBondContact O-N 2.99Å; L10-L13 VanDerWaalsContact O-N 3.15Å; L10-E75 HydrophobicContact CD1-CB 4.05Å; L10-E75 HydrophobicContact CD1-CG 4.22Å; L10-A78 HydrophobicContact CD2-CB 3.43Å; L10-A78 VanDerWaalsContact CD2-CB 3.43Å
11S81.4Confident78.7Confident82 Ų8282.3 Ų82.357%0.57344%0.437SS*.Hα-helixtrans-67-26.5179.576.80000113E7 E8 L13E7-S11 WeakPolarHBondContact O-CB 3.32Å; E7-S11 PolarHBondContact O-N 3.02Å; E8-S11 WeakPolarHBondContact O-CB 3.47Å; E8-S11 PolarHBondContact O-N 2.94Å; E8-S11 PolarHBondContact O-OG 3.02Å; S11-L13 VanDerWaalsContact C-N 3.31Å
12Q77.8Confident80.6Confident123 Ų12384.6 Ų84.658%0.57544%0.44SS*.THydrogen-bonded Turntrans-75.8-20.4175.1-62.2-62.2-37.300112.2E8 L10 M86E8-Q12 WeakPolarHBondContact O-CG 3.3Å; E8-Q12 PolarHBondContact O-N 3.39Å; L10-Q12 PolarHBondContact O-N 3.16Å; Q12-M86 HydrophobicContact CB-CE 3.58Å; Q12-M86 HydrophobicContact CB-SD 3.71Å; Q12-M86 WeakPolarHBondContact O-CE 3.24Å
13L82.1Confident82.3Confident12 Ų1287.8 Ų87.86%0.06345%0.446CS..SBendtrans-79.6132.4-178.8-63.2177000112.2L10 S11 Q17 I18 F21 A78 A82 M86L10-L13 HydrophobicContact CD2-CD1 4.04Å; L10-L13 WeakPolarHBondContact O-CB 3.33Å; L10-L13 PolarHBondContact O-N 2.99Å; L10-L13 VanDerWaalsContact O-N 3.15Å; S11-L13 VanDerWaalsContact C-N 3.31Å; L13-Q17 HydrophobicContact CB-CB 4.4Å; L13-Q17 HydrophobicContact CD2-CB 4.24Å; L13-I18 HydrophobicContact CB-CD1 4.08Å; L13-I18 HydrophobicContact CB-CG1 3.59Å; L13-I18 HydrophobicContact CD1-CG1 4.03Å; L13-F21 HydrophobicContact CD1-CD2 3.7Å; L13-F21 HydrophobicContact CD1-CE2 3.53Å; L13-F21 HydrophobicContact CD2-CE2 3.56Å; L13-F21 HydrophobicContact CD2-CZ 4.15Å; L13-F21 HydrophobicContact CG-CE2 4.18Å; L13-A78 HydrophobicContact CD1-CB 4.37Å; L13-A82 HydrophobicContact CD1-CB 3.99Å; L13-A82 HydrophobicContact CD2-CB 3.71Å; L13-A82 HydrophobicContact CG-CB 3.89Å; L13-M86 HydrophobicContact CD2-CE 3.99Å; L13-M86 HydrophobicContact CD2-SD 4.24Å
14S84.9Confident83.3Confident70 Ų7085.8 Ų85.849%0.4942%0.424SS..  trans-65.3150.7167.2-68.70000111.4E16 Q17 I18S14-E16 PolarHBondContact O-N 2.76Å; S14-E16 VanDerWaalsContact O-N 3.11Å; S14-Q17 WeakPolarHBondContact O-CA 3.34Å; S14-Q17 WeakPolarHBondContact O-CB 3.4Å; S14-Q17 PolarHBondContact O-N 3.35Å; S14-I18 WeakPolarHBondContact O-CG1 3.44Å; S14-I18 PolarHBondContact O-N 2.87Å
15N85.9Confident84.2Confident132 Ų13279.1 Ų79.171%0.70639%0.393SS*.Hα-helixtrans-51.7-38.9175.7-68.2-51.9000112.4I18 E19N15-I18 PolarHBondContact O-N 2.76Å; N15-E19 WeakPolarHBondContact O-CB 3.42Å; N15-E19 WeakPolarHBondContact O-CG 3.31Å; N15-E19 PolarHBondContact O-N 3.09Å
16E86.7Confident85.3Confident160 Ų16080.9 Ų80.975%0.74840%0.397SS*.Hα-helixtrans-63.9-40.7175.9-76.8173.370.400112.9S14 E19 Q20S14-E16 PolarHBondContact O-N 2.76Å; S14-E16 VanDerWaalsContact O-N 3.11Å; E16-E19 PolarHBondContact O-N 3.37Å; E16-Q20 WeakPolarHBondContact O-CB 3.22Å; E16-Q20 PolarHBondContact O-N 3.5Å
17Q85.3Confident86Confident62 Ų6285.4 Ų85.429%0.2942%0.418SS..Hα-helixtrans-65.8-45.4175.4-69.7169-56.300110.6L13 S14 E19 Q20 F21L13-Q17 HydrophobicContact CB-CB 4.4Å; L13-Q17 HydrophobicContact CD2-CB 4.24Å; S14-Q17 WeakPolarHBondContact O-CA 3.34Å; S14-Q17 WeakPolarHBondContact O-CB 3.4Å; S14-Q17 PolarHBondContact O-N 3.35Å; Q17-E19 VanDerWaalsContact C-N 3.35Å; Q17-E19 PolarHBondContact O-N 2.79Å; Q17-Q20 WeakPolarHBondContact O-CB 3.25Å; Q17-Q20 PolarHBondContact O-N 3.38Å; Q17-F21 HydrophobicContact CB-CE2 4.46Å; Q17-F21 HydrophobicContact CB-CZ 4.31Å; Q17-F21 WeakPolarHBondContact O-CB 3.24Å; Q17-F21 WeakPolarHBondContact O-CD1 3.19Å; Q17-F21 WeakPolarHBondContact O-CG 3.27Å; Q17-F21 PolarHBondContact O-N 3.03Å
18I88.2Confident86.4Confident46 Ų4681.1 Ų81.124%0.23640%0.398CS..Hα-helixtrans-58.9-46.5176.4-62.3173.3000110.4L13 S14 N15 Q20 F21 R22 F74L13-I18 HydrophobicContact CB-CD1 4.08Å; L13-I18 HydrophobicContact CB-CG1 3.59Å; L13-I18 HydrophobicContact CD1-CG1 4.03Å; S14-I18 WeakPolarHBondContact O-CG1 3.44Å; S14-I18 PolarHBondContact O-N 2.87Å; N15-I18 PolarHBondContact O-N 2.76Å; I18-Q20 VanDerWaalsContact C-N 3.34Å; I18-Q20 PolarHBondContact O-N 3.35Å; I18-F21 PolarHBondContact O-N 3.07Å; I18-R22 VanDerWaalsContact O-CB 3.24Å; I18-R22 WeakPolarHBondContact O-CB 3.3Å; I18-R22 PolarHBondContact O-N 2.8Å; I18-F74 HydrophobicContact CG2-CE1 4.35Å; I18-F74 HydrophobicContact CG2-CZ 4.03Å
19E90.2Very high87.1Confident140 Ų14075.5 Ų75.565%0.65437%0.372SS*.Hα-helixtrans-62.5-40.5177.2-76.3-16698.300112.3N15 E16 Q17 R22 K23N15-E19 WeakPolarHBondContact O-CB 3.42Å; N15-E19 WeakPolarHBondContact O-CG 3.31Å; N15-E19 PolarHBondContact O-N 3.09Å; E16-E19 PolarHBondContact O-N 3.37Å; Q17-E19 VanDerWaalsContact C-N 3.35Å; Q17-E19 PolarHBondContact O-N 2.79Å; E19-R22 PolarHBondContact O-N 2.81Å; E19-K23 WeakPolarHBondContact O-CB 3.49Å; E19-K23 PolarHBondContact O-N 2.76Å
20Q89.1Confident87.6Confident97 Ų9783.2 Ų83.245%0.45340%0.402SS..Hα-helixtrans-62.6-49.4175.1178.3169.7-26.100111.2E16 Q17 I18 R22 K23 Y24E16-Q20 WeakPolarHBondContact O-CB 3.22Å; E16-Q20 PolarHBondContact O-N 3.5Å; Q17-Q20 WeakPolarHBondContact O-CB 3.25Å; Q17-Q20 PolarHBondContact O-N 3.38Å; I18-Q20 VanDerWaalsContact C-N 3.34Å; I18-Q20 PolarHBondContact O-N 3.35Å; Q20-R22 VanDerWaalsContact C-N 3.28Å; Q20-R22 PolarHBondContact O-N 2.83Å; Q20-K23 WeakPolarHBondContact O-CB 3.34Å; Q20-K23 PolarHBondContact O-N 3.18Å; Q20-K23 VanDerWaalsContact O-N 3.12Å; Q20-Y24 HydrophobicContact CG-CD2 3.92Å; Q20-Y24 HydrophobicContact CG-CE2 3.58Å; Q20-Y24 WeakPolarHBondContact O-CD2 3.26Å; Q20-Y24 PolarHBondContact O-N 3.44Å; Q20-Y24 VanDerWaalsContact O-N 3.07Å
21F90.4Very high87.9Confident11 Ų1188.5 Ų88.55%0.04843%0.426CS..Hα-helixtrans-60.6-41.3177.9-63.2-8.8000110.7L13 Q17 I18 K23 Y24 F25 M48 F74 F77 A78 V81L13-F21 HydrophobicContact CD1-CD2 3.7Å; L13-F21 HydrophobicContact CD1-CE2 3.53Å; L13-F21 HydrophobicContact CD2-CE2 3.56Å; L13-F21 HydrophobicContact CD2-CZ 4.15Å; L13-F21 HydrophobicContact CG-CE2 4.18Å; Q17-F21 HydrophobicContact CB-CE2 4.46Å; Q17-F21 HydrophobicContact CB-CZ 4.31Å; Q17-F21 WeakPolarHBondContact O-CB 3.24Å; Q17-F21 WeakPolarHBondContact O-CD1 3.19Å; Q17-F21 WeakPolarHBondContact O-CG 3.27Å; Q17-F21 PolarHBondContact O-N 3.03Å; I18-F21 PolarHBondContact O-N 3.07Å; F21-K23 VanDerWaalsContact C-N 3.32Å; F21-K23 PolarHBondContact O-N 3.11Å; F21-Y24 PolarHBondContact O-N 2.95Å; F21-F25 WeakPolarHBondContact O-CB 3.35Å; F21-F25 PolarHBondContact O-N 2.75Å; F21-M48 HydrophobicContact CD1-CE 3.58Å; F21-M48 HydrophobicContact CD1-SD 4.44Å; F21-M48 HydrophobicContact CE1-CE 4.22Å; F21-M48 HydrophobicContact CG-CE 4.32Å; F21-F74 HydrophobicContact CB-CE2 4.39Å; F21-F77 HydrophobicContact CB-CE1 4.13Å; F21-A78 HydrophobicContact CD2-CB 4.26Å; F21-V81 HydrophobicContact CD1-CG1 4.03Å; F21-V81 HydrophobicContact CD2-CB 4.35Å; F21-V81 HydrophobicContact CD2-CG1 4.23Å; F21-V81 HydrophobicContact CE1-CG1 3.59Å; F21-V81 HydrophobicContact CE2-CB 4.16Å; F21-V81 HydrophobicContact CE2-CG1 3.79Å; F21-V81 HydrophobicContact CG-CG1 4.34Å; F21-V81 HydrophobicContact CZ-CB 4.34Å; F21-V81 HydrophobicContact CZ-CG1 3.47Å; F21-V81 VanDerWaalsContact CZ-CG1 3.47Å
22R90.8Very high88.1Confident146 Ų14692.9 Ų92.955%0.55144%0.435SS*.Hα-helixtrans-63.3-37.2176-163.6174-170.2-144.15112.5I18 E19 Q20 N26 F74I18-R22 VanDerWaalsContact O-CB 3.24Å; I18-R22 WeakPolarHBondContact O-CB 3.3Å; I18-R22 PolarHBondContact O-N 2.8Å; E19-R22 PolarHBondContact O-N 2.81Å; Q20-R22 VanDerWaalsContact C-N 3.28Å; Q20-R22 PolarHBondContact O-N 2.83Å; R22-N26 VanDerWaalsContact O-CB 3.29Å; R22-N26 WeakPolarHBondContact O-CB 3.39Å; R22-N26 PolarHBondContact O-N 2.82Å; R22-N26 PolarHBondContact O-ND2 3.21Å; R22-F74 HydrophobicContact CB-CD2 4.46Å; R22-F74 HydrophobicContact CB-CE2 3.6Å; R22-F74 HydrophobicContact CB-CZ 3.68Å; R22-F74 HydrophobicContact CG-CD2 4.4Å; R22-F74 HydrophobicContact CG-CE2 3.95Å; R22-F74 HydrophobicContact CG-CZ 4.03Å
23K91.2Very high88.6Confident161 Ų16191.8 Ų91.870%0.743%0.428SS*.Hα-helixtrans-63.7-45.1175.1-176.2-178.6177.9-176.50111.4E19 Q20 F21 M27E19-K23 WeakPolarHBondContact O-CB 3.49Å; E19-K23 PolarHBondContact O-N 2.76Å; Q20-K23 WeakPolarHBondContact O-CB 3.34Å; Q20-K23 PolarHBondContact O-N 3.18Å; Q20-K23 VanDerWaalsContact O-N 3.12Å; F21-K23 VanDerWaalsContact C-N 3.32Å; F21-K23 PolarHBondContact O-N 3.11Å; K23-M27 PolarHBondContact O-N 2.95Å; K23-M27 VanDerWaalsContact O-N 3.12Å
24Y90.9Very high89Confident53 Ų5393 Ų9321%0.20844%0.443CS..Hα-helixtrans-67.1-43176.1-74.8-71.1000112Q20 F21 N26 M27 F28 I44 T47 M48Q20-Y24 HydrophobicContact CG-CD2 3.92Å; Q20-Y24 HydrophobicContact CG-CE2 3.58Å; Q20-Y24 WeakPolarHBondContact O-CD2 3.26Å; Q20-Y24 PolarHBondContact O-N 3.44Å; Q20-Y24 VanDerWaalsContact O-N 3.07Å; F21-Y24 PolarHBondContact O-N 2.95Å; Y24-N26 PolarHBondContact O-N 3.04Å; Y24-M27 WeakPolarHBondContact O-CB 3.4Å; Y24-M27 PolarHBondContact O-N 3.33Å; Y24-M27 VanDerWaalsContact O-N 3.1Å; Y24-F28 WeakPolarHBondContact O-CD2 3.02Å; Y24-I44 HydrophobicContact CG-CG2 4.22Å; Y24-T47 HydrophobicContact CD1-CG2 4.15Å; Y24-T47 HydrophobicContact CE1-CG2 3.69Å; Y24-M48 HydrophobicContact CD1-CG 4.27Å; Y24-M48 HydrophobicContact CD2-CE 3.31Å; Y24-M48 HydrophobicContact CD2-CG 3.71Å; Y24-M48 HydrophobicContact CD2-SD 4.33Å; Y24-M48 HydrophobicContact CE1-CG 4.23Å; Y24-M48 HydrophobicContact CE2-CE 4.12Å; Y24-M48 HydrophobicContact CE2-CG 3.63Å; Y24-M48 HydrophobicContact CG-CE 3.66Å; Y24-M48 HydrophobicContact CG-CG 4.03Å
25F91.8Very high89.2Confident4 Ų492.9 Ų92.92%0.01843%0.432CS..Hα-helixtrans-56.4-51.8175.1-175.1-86.1000111.6F21 M27 F28 D29 G34 I36 F74 F77F21-F25 WeakPolarHBondContact O-CB 3.35Å; F21-F25 PolarHBondContact O-N 2.75Å; F25-M27 PolarHBondContact O-N 3.4Å; F25-M27 VanDerWaalsContact O-N 3.17Å; F25-F28 PolarHBondContact O-N 2.84Å; F25-D29 HydrophobicContact CD1-CB 4.06Å; F25-D29 HydrophobicContact CE1-CB 3.75Å; F25-D29 HydrophobicContact CZ-CB 4.5Å; F25-D29 PolarHBondContact O-N 2.68Å; F25-G34 WeakPolarHBondContact CZ-O 3.36Å; F25-I36 HydrophobicContact CD2-CD1 3.92Å; F25-I36 HydrophobicContact CD2-CG1 4.1Å; F25-I36 HydrophobicContact CD2-CG2 3.97Å; F25-I36 HydrophobicContact CE1-CG2 4.34Å; F25-I36 HydrophobicContact CE2-CB 4.23Å; F25-I36 HydrophobicContact CE2-CD1 4.07Å; F25-I36 HydrophobicContact CE2-CG1 3.72Å; F25-I36 HydrophobicContact CE2-CG2 3.76Å; F25-I36 HydrophobicContact CG-CG2 4.38Å; F25-I36 HydrophobicContact CZ-CG2 3.96Å; F25-F74 HydrophobicContact CB-CD2 3.9Å; F25-F74 HydrophobicContact CB-CE2 4.41Å; F25-F74 HydrophobicContact CD1-CB 4.26Å; F25-F74 HydrophobicContact CD1-CD2 4.21Å; F25-F74 HydrophobicContact CD2-CB 4.28Å; F25-F74 HydrophobicContact CD2-CD2 4.07Å; F25-F74 HydrophobicContact CE1-CB 4.04Å; F25-F74 VanDerWaalsContact CE2-CA 3.48Å; F25-F74 HydrophobicContact CE2-CB 4.03Å; F25-F74 HydrophobicContact CG-CB 4.37Å; F25-F74 AromaticContact CG-CD2 3.8Å; F25-F74 HydrophobicContact CG-CD2 3.8Å; F25-F74 HydrophobicContact CZ-CB 3.9Å; F25-F77 HydrophobicContact CB-CD1 4.13Å; F25-F77 HydrophobicContact CB-CE1 4.2Å; F25-F77 HydrophobicContact CD2-CB 3.92Å; F25-F77 AromaticContact CD2-CD1 3.74Å; F25-F77 HydrophobicContact CD2-CD1 3.74Å; F25-F77 HydrophobicContact CD2-CE1 4.49Å; F25-F77 AromaticContact CD2-CG 3.84Å; F25-F77 HydrophobicContact CD2-CG 3.84Å; F25-F77 HydrophobicContact CE2-CB 4.1Å; F25-F77 HydrophobicContact CE2-CG 4.47Å; F25-F77 HydrophobicContact CG-CD1 4.41Å
26N91.4Very high89.5Confident73 Ų7386.7 Ų86.739%0.3940%0.399SS..Hα-helixtrans-63.1-22.1177.6-74-38.8000113.7R22 Y24 F28R22-N26 VanDerWaalsContact O-CB 3.29Å; R22-N26 WeakPolarHBondContact O-CB 3.39Å; R22-N26 PolarHBondContact O-N 2.82Å; R22-N26 PolarHBondContact O-ND2 3.21Å; Y24-N26 PolarHBondContact O-N 3.04Å; N26-F28 PolarHBondContact O-N 3.18Å
27M90.6Very high89.7Confident115 Ų11583 Ų8357%0.56738%0.382SS*.Hα-helixtrans-66.7-30.8175.2-169.2179.2176.900111.3K23 Y24 F25K23-M27 PolarHBondContact O-N 2.95Å; K23-M27 VanDerWaalsContact O-N 3.12Å; Y24-M27 WeakPolarHBondContact O-CB 3.4Å; Y24-M27 PolarHBondContact O-N 3.33Å; Y24-M27 VanDerWaalsContact O-N 3.1Å; F25-M27 PolarHBondContact O-N 3.4Å; F25-M27 VanDerWaalsContact O-N 3.17Å
28F88.7Confident89.9Confident39 Ų3981.8 Ų81.817%0.17138%0.379CS..Hα-helixtrans-97.5-38.1178.6-71.7-100.1000112Y24 F25 N26 K30 I36 Q40 Q43 I44Y24-F28 WeakPolarHBondContact O-CD2 3.02Å; F25-F28 PolarHBondContact O-N 2.84Å; N26-F28 PolarHBondContact O-N 3.18Å; F28-K30 VanDerWaalsContact C-N 3.26Å; F28-K30 PolarHBondContact O-N 2.76Å; F28-I36 HydrophobicContact CB-CG2 4.04Å; F28-Q40 HydrophobicContact CD1-CB 3.84Å; F28-Q40 HydrophobicContact CD1-CG 4.17Å; F28-Q40 HydrophobicContact CE1-CB 4.47Å; F28-Q40 HydrophobicContact CG-CB 4.45Å; F28-Q43 HydrophobicContact CE1-CB 3.68Å; F28-Q43 HydrophobicContact CZ-CB 3.77Å; F28-I44 HydrophobicContact CB-CD1 4.3Å; F28-I44 HydrophobicContact CD1-CG1 4.39Å; F28-I44 HydrophobicContact CD2-CD1 3.79Å; F28-I44 HydrophobicContact CD2-CG1 3.26Å; F28-I44 HydrophobicContact CE1-CG1 4.4Å; F28-I44 HydrophobicContact CE2-CB 4.32Å; F28-I44 HydrophobicContact CE2-CD1 4.31Å; F28-I44 HydrophobicContact CE2-CG1 3.29Å; F28-I44 HydrophobicContact CG-CD1 4.05Å; F28-I44 HydrophobicContact CG-CG1 3.85Å; F28-I44 HydrophobicContact CZ-CG1 3.89Å
29D92.3Very high89.8Confident9 Ų983.8 Ų83.85%0.04840%0.397CS..  trans-81.562.7172.4-173.220.3000112.4F25 E31 K32 K33 G34 I36F25-D29 HydrophobicContact CD1-CB 4.06Å; F25-D29 HydrophobicContact CE1-CB 3.75Å; F25-D29 HydrophobicContact CZ-CB 4.5Å; F25-D29 PolarHBondContact O-N 2.68Å; D29-E31 PolarHBondContact O-N 3.39Å; D29-K32 PolarHBondContact O-N 3.01Å; D29-K32 WeakPolarHBondContact OD1-CA 3.48Å; D29-K32 PolarHBondContact OD1-N 3.28Å; D29-K32 VanDerWaalsContact OD2-CA 3.23Å; D29-K32 WeakPolarHBondContact OD2-CA 3.37Å; D29-K33 VanDerWaalsContact CG-N 3.34Å; D29-K33 PolarHBondContact OD1-N 2.9Å; D29-K33 PolarHBondContact OD2-N 3.13Å; D29-K33 VanDerWaalsContact OD2-N 3.07Å; D29-G34 PolarHBondContact OD2-N 3.39Å; D29-I36 HydrophobicContact CB-CG2 3.94Å
30K87Confident89.7Confident179 Ų17979.3 Ų79.378%0.77838%0.376SS*.THydrogen-bonded Turntrans-62.6-27.7179.7-65.3-177.4-178.81760113.3F28 K32F28-K30 VanDerWaalsContact C-N 3.26Å; F28-K30 PolarHBondContact O-N 2.76Å; K30-K32 VanDerWaalsContact C-N 3.32Å
31E88.6Confident89.7Confident145 Ų14574.7 Ų74.768%0.67835%0.354SS*.THydrogen-bonded Turntrans-87.9-3.8-177.7-66.7-177.696.100112.4D29 K33D29-E31 PolarHBondContact O-N 3.39Å; E31-K33 HydrophobicContact CB-CD 4.36Å; E31-K33 HydrophobicContact CB-CG 3.92Å; E31-K33 VanDerWaalsContact CD-CE 3.44Å; E31-K33 PolarHBondContact O-N 3Å; E31-K33 WeakPolarHBondContact OE2-CE 3.46Å; E31-K33 IonicContact OE2-NZ 3.53Å; E31-K33 PolarHBondContact OE2-NZ 3.44Å
32K86.5Confident89.6Confident174 Ų17474.6 Ų74.676%0.75736%0.356SS*.  trans53.942-177-58.6-173.3177.5-174.20112.2D29 K30 G34D29-K32 PolarHBondContact O-N 3.01Å; D29-K32 WeakPolarHBondContact OD1-CA 3.48Å; D29-K32 PolarHBondContact OD1-N 3.28Å; D29-K32 VanDerWaalsContact OD2-CA 3.23Å; D29-K32 WeakPolarHBondContact OD2-CA 3.37Å; K30-K32 VanDerWaalsContact C-N 3.32Å; K32-G34 PolarHBondContact O-N 2.85Å
33K89.1Confident89.6Confident99 Ų9972.8 Ų72.843%0.4335%0.354SS..  trans-67.2-24.7175.9-64.8176.6-175.1166.20111.2D29 E31 Y35D29-K33 VanDerWaalsContact CG-N 3.34Å; D29-K33 PolarHBondContact OD1-N 2.9Å; D29-K33 PolarHBondContact OD2-N 3.13Å; D29-K33 VanDerWaalsContact OD2-N 3.07Å; E31-K33 HydrophobicContact CB-CD 4.36Å; E31-K33 HydrophobicContact CB-CG 3.92Å; E31-K33 VanDerWaalsContact CD-CE 3.44Å; E31-K33 PolarHBondContact O-N 3Å; E31-K33 WeakPolarHBondContact OE2-CE 3.46Å; E31-K33 IonicContact OE2-NZ 3.53Å; E31-K33 PolarHBondContact OE2-NZ 3.44Å; K33-Y35 VanDerWaalsContact C-N 3.35Å; K33-Y35 HydrophobicContact CB-CD1 3.87Å; K33-Y35 HydrophobicContact CB-CD2 4.35Å; K33-Y35 HydrophobicContact CB-CE1 3.64Å; K33-Y35 HydrophobicContact CB-CE2 4.11Å; K33-Y35 HydrophobicContact CB-CG 4.24Å; K33-Y35 HydrophobicContact CD-CE1 4.39Å; K33-Y35 HydrophobicContact CD-CE2 3.72Å; K33-Y35 HydrophobicContact CG-CE1 4.47Å
34G88.7Confident89.5Confident37 Ų3765.1 Ų65.138%0.38132%0.321SS..SBendtrans91.2-0.4-174.100000113.3F25 D29 K32 E73 F74F25-G34 WeakPolarHBondContact CZ-O 3.36Å; D29-G34 PolarHBondContact OD2-N 3.39Å; K32-G34 PolarHBondContact O-N 2.85Å; G34-E73 WeakPolarHBondContact O-CA 3.17Å; G34-F74 PolarHBondContact O-N 3.47Å
35Y90.8Very high89.4Confident68 Ų6862.6 Ų62.627%0.26731%0.311SS..EExtended strand (participates in β ladder)trans-139.9156.9178.359.9-101.3000111.2K33 E71 I72K33-Y35 VanDerWaalsContact C-N 3.35Å; K33-Y35 HydrophobicContact CB-CD1 3.87Å; K33-Y35 HydrophobicContact CB-CD2 4.35Å; K33-Y35 HydrophobicContact CB-CE1 3.64Å; K33-Y35 HydrophobicContact CB-CE2 4.11Å; K33-Y35 HydrophobicContact CB-CG 4.24Å; K33-Y35 HydrophobicContact CD-CE1 4.39Å; K33-Y35 HydrophobicContact CD-CE2 3.72Å; K33-Y35 HydrophobicContact CG-CE1 4.47Å; Y35-E71 HydrophobicContact CD2-CB 3.87Å; Y35-E71 HydrophobicContact CD2-CG 3.86Å; Y35-E71 HydrophobicContact CE2-CB 4.47Å; Y35-E71 VanDerWaalsContact CE2-CD 3.44Å; Y35-E71 HydrophobicContact CE2-CG 3.98Å; Y35-E71 WeakPolarHBondContact CE2-OE1 3.3Å; Y35-E71 HydrophobicContact CG-CB 4.13Å; Y35-E71 PolarHBondContact OH-OE1 2.87Å; Y35-I72 CarbonylContact C-O 3.55Å; Y35-I72 VanDerWaalsContact CA-O 3.25Å; Y35-I72 WeakPolarHBondContact CA-O 3.11Å
36I91.7Very high89.1Confident2 Ų270 Ų701%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-121.5155.5169.658.9173.9000109.5F25 F28 D29 V41 I44 E71 I72 F77F25-I36 HydrophobicContact CD2-CD1 3.92Å; F25-I36 HydrophobicContact CD2-CG1 4.1Å; F25-I36 HydrophobicContact CD2-CG2 3.97Å; F25-I36 HydrophobicContact CE1-CG2 4.34Å; F25-I36 HydrophobicContact CE2-CB 4.23Å; F25-I36 HydrophobicContact CE2-CD1 4.07Å; F25-I36 HydrophobicContact CE2-CG1 3.72Å; F25-I36 HydrophobicContact CE2-CG2 3.76Å; F25-I36 HydrophobicContact CG-CG2 4.38Å; F25-I36 HydrophobicContact CZ-CG2 3.96Å; F28-I36 HydrophobicContact CB-CG2 4.04Å; D29-I36 HydrophobicContact CB-CG2 3.94Å; I36-V41 HydrophobicContact CD1-CG2 3.94Å; I36-V41 HydrophobicContact CG1-CG2 4.43Å; I36-I44 HydrophobicContact CD1-CD1 3.29Å; I36-E71 CarbonylContact O-C 3.49Å; I36-E71 WeakPolarHBondContact O-CA 3.41Å; I36-I72 HydrophobicContact CG1-CB 4.33Å; I36-I72 PolarHBondContact N-O 3.36Å; I36-I72 PolarHBondContact O-N 2.92Å; I36-F77 HydrophobicContact CD1-CD2 3.73Å; I36-F77 HydrophobicContact CD1-CE2 4.21Å; I36-F77 HydrophobicContact CD1-CG 4.19Å
37H91.2Very high89Confident83 Ų8369.8 Ų69.838%0.38434%0.34SS..EExtended strand (participates in β ladder)trans-72.8145.7172.7-78.9-65.9000111.4S39 Q40 V41 G70 E71H37-S39 PolarHBondContact O-N 3.01Å; H37-S39 VanDerWaalsContact O-N 3.09Å; H37-Q40 HydrophobicContact CB-CG 4.25Å; H37-Q40 WeakPolarHBondContact O-CA 3.47Å; H37-Q40 VanDerWaalsContact O-CB 3.25Å; H37-Q40 WeakPolarHBondContact O-CB 3.44Å; H37-Q40 PolarHBondContact O-N 2.88Å; H37-V41 PolarHBondContact O-N 2.86Å; H37-G70 VanDerWaalsContact CA-O 3.31Å; H37-G70 WeakPolarHBondContact CA-O 3.35Å; H37-G70 PolarHBondContact ND1-O 3.45Å; H37-E71 IonicContact CE1-OE1 2.62Å
38T87.7Confident88.7Confident37 Ų3765.8 Ų65.823%0.22732%0.32CS..Hα-helixtrans-51.3-35.2174.752.40000113.4Q40 V41 I61 D65 G70 I72T38-Q40 PolarHBondContact O-N 3.22Å; T38-V41 WeakPolarHBondContact O-CB 3.32Å; T38-V41 PolarHBondContact O-N 3.43Å; T38-I61 HydrophobicContact CG2-CG2 3.28Å; T38-D65 HydrophobicContact CG2-CB 4.44Å; T38-G70 PolarHBondContact N-O 3.34Å; T38-I72 HydrophobicContact CG2-CD1 4.1Å; T38-I72 HydrophobicContact CG2-CG1 3.7Å
39S86.4Confident88.5Confident87 Ų8767 Ų6761%0.60834%0.344SS*.Hα-helixtrans-63.3-19.2173.965.30000114.8H37 Q43H37-S39 PolarHBondContact O-N 3.01Å; H37-S39 VanDerWaalsContact O-N 3.09Å; S39-Q43 PolarHBondContact O-NE2 3.02Å
40Q88.9Confident87.9Confident46 Ų4669 Ų6922%0.21535%0.353CS..Hα-helixtrans-90.2-26177.8-58.4177.4-74.700112F28 H37 T38 G42 Q43 I44F28-Q40 HydrophobicContact CD1-CB 3.84Å; F28-Q40 HydrophobicContact CD1-CG 4.17Å; F28-Q40 HydrophobicContact CE1-CB 4.47Å; F28-Q40 HydrophobicContact CG-CB 4.45Å; H37-Q40 HydrophobicContact CB-CG 4.25Å; H37-Q40 WeakPolarHBondContact O-CA 3.47Å; H37-Q40 VanDerWaalsContact O-CB 3.25Å; H37-Q40 WeakPolarHBondContact O-CB 3.44Å; H37-Q40 PolarHBondContact O-N 2.88Å; T38-Q40 PolarHBondContact O-N 3.22Å; Q40-G42 VanDerWaalsContact C-N 3.31Å; Q40-G42 PolarHBondContact O-N 3.21Å; Q40-Q43 WeakPolarHBondContact O-CB 3.47Å; Q40-Q43 PolarHBondContact O-N 3.48Å; Q40-I44 PolarHBondContact O-N 3.32Å
41V89.3Confident87.5Confident0 Ų064.5 Ų64.50%035%0.349CS..Hα-helixtrans-54.7-47.1179179.90000110.9I36 H37 T38 Q43 I44 L45 L57 I61 I72 F77 L80I36-V41 HydrophobicContact CD1-CG2 3.94Å; I36-V41 HydrophobicContact CG1-CG2 4.43Å; H37-V41 PolarHBondContact O-N 2.86Å; T38-V41 WeakPolarHBondContact O-CB 3.32Å; T38-V41 PolarHBondContact O-N 3.43Å; V41-Q43 VanDerWaalsContact C-N 3.31Å; V41-Q43 PolarHBondContact O-N 3.01Å; V41-I44 WeakPolarHBondContact O-CB 3.41Å; V41-I44 PolarHBondContact O-N 2.81Å; V41-I44 VanDerWaalsContact O-N 3.11Å; V41-L45 HydrophobicContact CG1-CD1 4.34Å; V41-L45 PolarHBondContact O-N 3.41Å; V41-L57 HydrophobicContact CG1-CD1 4.04Å; V41-I61 HydrophobicContact CB-CD1 4.11Å; V41-I61 HydrophobicContact CG1-CD1 4.38Å; V41-I61 HydrophobicContact CG1-CG1 4.5Å; V41-I61 HydrophobicContact CG2-CD1 4.47Å; V41-I72 HydrophobicContact CG2-CB 4.5Å; V41-I72 HydrophobicContact CG2-CG1 4.21Å; V41-F77 HydrophobicContact CG1-CD2 4.34Å; V41-F77 HydrophobicContact CG1-CE2 4.34Å; V41-F77 HydrophobicContact CG2-CD2 4.44Å; V41-L80 HydrophobicContact CG1-CD1 4.34Å; V41-L80 HydrophobicContact CG1-CD2 3.77Å
42G88.9Confident87.2Confident9 Ų959.2 Ų59.29%0.09332%0.324CS..Hα-helixtrans-63.5-34.3177.300000113.6Q40 I44 R46 F52Q40-G42 VanDerWaalsContact C-N 3.31Å; Q40-G42 PolarHBondContact O-N 3.21Å; G42-I44 VanDerWaalsContact C-N 3.33Å; G42-R46 WeakPolarHBondContact O-CG 3.49Å; G42-R46 PolarHBondContact O-N 2.89Å; G42-R46 VanDerWaalsContact O-N 3.07Å; G42-F52 VanDerWaalsContact CA-CZ 3.41Å; G42-F52 VanDerWaalsContact O-CE1 3.31Å; G42-F52 WeakPolarHBondContact O-CE1 3.5Å; G42-F52 WeakPolarHBondContact O-CZ 3.48Å
43Q89.4Confident87.1Confident108 Ų10857.6 Ų57.651%0.50532%0.319SS..Hα-helixtrans-68-37.5174.6-70175.863.700111.3F28 S39 Q40 V41 T47F28-Q43 HydrophobicContact CE1-CB 3.68Å; F28-Q43 HydrophobicContact CZ-CB 3.77Å; S39-Q43 PolarHBondContact O-NE2 3.02Å; Q40-Q43 WeakPolarHBondContact O-CB 3.47Å; Q40-Q43 PolarHBondContact O-N 3.48Å; V41-Q43 VanDerWaalsContact C-N 3.31Å; V41-Q43 PolarHBondContact O-N 3.01Å; Q43-T47 WeakPolarHBondContact O-CB 3.42Å; Q43-T47 PolarHBondContact O-N 3.39Å; Q43-T47 PolarHBondContact O-OG1 3.45Å
44I89.9Confident86.9Confident0 Ų059 Ų590%033%0.327CS..Hα-helixtrans-63.9-50.7175.8-66.3165.6000110.7Y24 F28 I36 Q40 V41 G42 R46 T47 M48 F77Y24-I44 HydrophobicContact CG-CG2 4.22Å; F28-I44 HydrophobicContact CB-CD1 4.3Å; F28-I44 HydrophobicContact CD1-CG1 4.39Å; F28-I44 HydrophobicContact CD2-CD1 3.79Å; F28-I44 HydrophobicContact CD2-CG1 3.26Å; F28-I44 HydrophobicContact CE1-CG1 4.4Å; F28-I44 HydrophobicContact CE2-CB 4.32Å; F28-I44 HydrophobicContact CE2-CD1 4.31Å; F28-I44 HydrophobicContact CE2-CG1 3.29Å; F28-I44 HydrophobicContact CG-CD1 4.05Å; F28-I44 HydrophobicContact CG-CG1 3.85Å; F28-I44 HydrophobicContact CZ-CG1 3.89Å; I36-I44 HydrophobicContact CD1-CD1 3.29Å; Q40-I44 PolarHBondContact O-N 3.32Å; V41-I44 WeakPolarHBondContact O-CB 3.41Å; V41-I44 PolarHBondContact O-N 2.81Å; V41-I44 VanDerWaalsContact O-N 3.11Å; G42-I44 VanDerWaalsContact C-N 3.33Å; I44-R46 VanDerWaalsContact C-N 3.29Å; I44-R46 PolarHBondContact O-N 2.96Å; I44-T47 CarbonylContact O-C 3.58Å; I44-T47 WeakPolarHBondContact O-CA 2.95Å; I44-T47 WeakPolarHBondContact O-CB 3.29Å; I44-T47 PolarHBondContact O-N 2.87Å; I44-M48 HydrophobicContact CG2-CE 3.65Å; I44-M48 HydrophobicContact CG2-CG 4.33Å; I44-M48 HydrophobicContact CG2-SD 4.06Å; I44-M48 WeakPolarHBondContact O-CG 2.88Å; I44-M48 PolarHBondContact O-N 2.73Å; I44-F77 HydrophobicContact CB-CE2 4.1Å; I44-F77 HydrophobicContact CB-CZ 4.17Å; I44-F77 HydrophobicContact CD1-CD2 4.42Å; I44-F77 HydrophobicContact CD1-CE2 3.76Å; I44-F77 HydrophobicContact CD1-CZ 4Å; I44-F77 HydrophobicContact CG2-CE1 4.46Å; I44-F77 HydrophobicContact CG2-CE2 3.81Å; I44-F77 HydrophobicContact CG2-CZ 3.37Å
45L87.7Confident86.6Confident0 Ų067.1 Ų67.10%035%0.346CS..Hα-helixtrans-55.8-44178-73.6175.5000111.6V41 T47 M48 G49 Q50 F52 L57 V81 F84V41-L45 HydrophobicContact CG1-CD1 4.34Å; V41-L45 PolarHBondContact O-N 3.41Å; L45-T47 VanDerWaalsContact C-N 3.3Å; L45-T47 PolarHBondContact O-N 3.29Å; L45-M48 WeakPolarHBondContact O-CB 3.35Å; L45-M48 PolarHBondContact O-N 2.78Å; L45-M48 VanDerWaalsContact O-N 3.16Å; L45-G49 PolarHBondContact O-N 2.98Å; L45-Q50 HydrophobicContact CB-CB 4.29Å; L45-Q50 HydrophobicContact CD2-CB 4.33Å; L45-Q50 HydrophobicContact CD2-CG 4.43Å; L45-Q50 WeakPolarHBondContact O-CB 3.31Å; L45-Q50 PolarHBondContact O-N 3.23Å; L45-F52 HydrophobicContact CB-CD1 3.68Å; L45-F52 HydrophobicContact CB-CE1 3.36Å; L45-F52 HydrophobicContact CB-CZ 4.34Å; L45-F52 HydrophobicContact CD1-CD1 3.95Å; L45-F52 HydrophobicContact CD1-CE1 4.13Å; L45-F52 HydrophobicContact CD1-CG 4.44Å; L45-F52 HydrophobicContact CG-CD1 4.48Å; L45-F52 HydrophobicContact CG-CE1 4.41Å; L45-L57 HydrophobicContact CD1-CD1 3.55Å; L45-L57 HydrophobicContact CD1-CD2 4.42Å; L45-V81 HydrophobicContact CD2-CG1 4.4Å; L45-V81 HydrophobicContact CD2-CG2 3.97Å; L45-F84 HydrophobicContact CD1-CG 4.49Å; L45-F84 HydrophobicContact CD2-CD1 4.28Å
46R87.1Confident86.2Confident161 Ų16167.5 Ų67.561%0.60835%0.353SS*.Hα-helixtrans-62.4-36.6174-71179.2-169.2-171.63.1112.7G42 I44 M48 G49 F52G42-R46 WeakPolarHBondContact O-CG 3.49Å; G42-R46 PolarHBondContact O-N 2.89Å; G42-R46 VanDerWaalsContact O-N 3.07Å; I44-R46 VanDerWaalsContact C-N 3.29Å; I44-R46 PolarHBondContact O-N 2.96Å; R46-M48 VanDerWaalsContact C-N 3.31Å; R46-G49 PolarHBondContact O-N 2.86Å; R46-G49 VanDerWaalsContact O-N 3.15Å; R46-F52 HydrophobicContact CG-CE1 3.59Å; R46-F52 HydrophobicContact CG-CZ 3.75Å
47T87.8Confident85.8Confident68 Ų6868 Ų6842%0.41736%0.355SS..Hα-helixtrans-70.4-31.7177.8-50.50000111.3Y24 Q43 I44 L45 G49Y24-T47 HydrophobicContact CD1-CG2 4.15Å; Y24-T47 HydrophobicContact CE1-CG2 3.69Å; Q43-T47 WeakPolarHBondContact O-CB 3.42Å; Q43-T47 PolarHBondContact O-N 3.39Å; Q43-T47 PolarHBondContact O-OG1 3.45Å; I44-T47 CarbonylContact O-C 3.58Å; I44-T47 WeakPolarHBondContact O-CA 2.95Å; I44-T47 WeakPolarHBondContact O-CB 3.29Å; I44-T47 PolarHBondContact O-N 2.87Å; L45-T47 VanDerWaalsContact C-N 3.3Å; L45-T47 PolarHBondContact O-N 3.29Å; T47-G49 PolarHBondContact O-N 2.82Å
48M85.3Confident85.5Confident30 Ų3070.7 Ų70.715%0.14837%0.366CS..THydrogen-bonded Turntrans-72.7-8171.3-67.1174.9170.300113.2F21 Y24 I44 L45 R46 Q50 F77 V81F21-M48 HydrophobicContact CD1-CE 3.58Å; F21-M48 HydrophobicContact CD1-SD 4.44Å; F21-M48 HydrophobicContact CE1-CE 4.22Å; F21-M48 HydrophobicContact CG-CE 4.32Å; Y24-M48 HydrophobicContact CD1-CG 4.27Å; Y24-M48 HydrophobicContact CD2-CE 3.31Å; Y24-M48 HydrophobicContact CD2-CG 3.71Å; Y24-M48 HydrophobicContact CD2-SD 4.33Å; Y24-M48 HydrophobicContact CE1-CG 4.23Å; Y24-M48 HydrophobicContact CE2-CE 4.12Å; Y24-M48 HydrophobicContact CE2-CG 3.63Å; Y24-M48 HydrophobicContact CG-CE 3.66Å; Y24-M48 HydrophobicContact CG-CG 4.03Å; I44-M48 HydrophobicContact CG2-CE 3.65Å; I44-M48 HydrophobicContact CG2-CG 4.33Å; I44-M48 HydrophobicContact CG2-SD 4.06Å; I44-M48 WeakPolarHBondContact O-CG 2.88Å; I44-M48 PolarHBondContact O-N 2.73Å; L45-M48 WeakPolarHBondContact O-CB 3.35Å; L45-M48 PolarHBondContact O-N 2.78Å; L45-M48 VanDerWaalsContact O-N 3.16Å; R46-M48 VanDerWaalsContact C-N 3.31Å; M48-Q50 HydrophobicContact CB-CG 4.18Å; M48-F77 HydrophobicContact CE-CE1 4.26Å; M48-F77 HydrophobicContact CE-CZ 3.87Å; M48-V81 HydrophobicContact CE-CG1 4.35Å; M48-V81 HydrophobicContact SD-CG1 3.97Å
49G83.9Confident85.3Confident64 Ų6474 Ų7466%0.6638%0.379SS*.THydrogen-bonded Turntrans84.77.3-176.700000114.4L45 R46 T47L45-G49 PolarHBondContact O-N 2.98Å; R46-G49 PolarHBondContact O-N 2.86Å; R46-G49 VanDerWaalsContact O-N 3.15Å; T47-G49 PolarHBondContact O-N 2.82Å
50Q80.4Confident85.1Confident51 Ų5170.5 Ų70.524%0.23835%0.353CS..  trans-78130.1178.3-61.4-62.3-35.900110.1L45 M48 F84 V85L45-Q50 HydrophobicContact CB-CB 4.29Å; L45-Q50 HydrophobicContact CD2-CB 4.33Å; L45-Q50 HydrophobicContact CD2-CG 4.43Å; L45-Q50 WeakPolarHBondContact O-CB 3.31Å; L45-Q50 PolarHBondContact O-N 3.23Å; M48-Q50 HydrophobicContact CB-CG 4.18Å; Q50-F84 HydrophobicContact CB-CE1 4.35Å; Q50-V85 HydrophobicContact CG-CG2 4.16Å
51A79.3Confident84.9Confident85 Ų8569 Ų6970%0.70235%0.347SS*.  trans-92.6136.4172.800000109.1
52F82.2Confident84.6Confident35 Ų3576.1 Ų76.115%0.15438%0.377CS..  trans-151150.4179.957.7-93.8000110G42 L45 R46 L57 F84G42-F52 VanDerWaalsContact CA-CZ 3.41Å; G42-F52 VanDerWaalsContact O-CE1 3.31Å; G42-F52 WeakPolarHBondContact O-CE1 3.5Å; G42-F52 WeakPolarHBondContact O-CZ 3.48Å; L45-F52 HydrophobicContact CB-CD1 3.68Å; L45-F52 HydrophobicContact CB-CE1 3.36Å; L45-F52 HydrophobicContact CB-CZ 4.34Å; L45-F52 HydrophobicContact CD1-CD1 3.95Å; L45-F52 HydrophobicContact CD1-CE1 4.13Å; L45-F52 HydrophobicContact CD1-CG 4.44Å; L45-F52 HydrophobicContact CG-CD1 4.48Å; L45-F52 HydrophobicContact CG-CE1 4.41Å; R46-F52 HydrophobicContact CG-CE1 3.59Å; R46-F52 HydrophobicContact CG-CZ 3.75Å; F52-L57 HydrophobicContact CD2-CB 3.76Å; F52-L57 HydrophobicContact CD2-CD2 3.71Å; F52-L57 HydrophobicContact CD2-CG 4.3Å; F52-L57 HydrophobicContact CE2-CB 4.25Å; F52-L57 HydrophobicContact CE2-CD2 3.34Å; F52-L57 HydrophobicContact CE2-CG 4.38Å; F52-L57 HydrophobicContact CG-CB 4.46Å; F52-L57 HydrophobicContact CZ-CD2 3.88Å; F52-F84 HydrophobicContact CB-CE1 4.08Å; F52-F84 HydrophobicContact CB-CE2 3.82Å; F52-F84 HydrophobicContact CB-CZ 3.29Å; F52-F84 HydrophobicContact CG-CZ 4.42Å
53E84.1Confident84.3Confident140 Ų14078.1 Ų78.165%0.65439%0.385SS*.  trans-81.6140.9166.9-58-15875.900110R55 D56 L57E53-R55 PolarHBondContact O-N 2.98Å; E53-R55 VanDerWaalsContact O-N 3.08Å; E53-D56 WeakPolarHBondContact CB-OD2 3.34Å; E53-D56 PolarHBondContact O-N 3.49Å; E53-L57 PolarHBondContact O-N 3.49Å; E53-L57 VanDerWaalsContact O-N 3.1Å
54E83.8Confident83.8Confident127 Ų12773.3 Ų73.359%0.59336%0.362SS*.Hα-helixtrans-60-23.6178.6-68.8-171.978.900112.7K58E54-K58 WeakPolarHBondContact O-CB 3.36Å; E54-K58 WeakPolarHBondContact O-CD 3.49Å; E54-K58 WeakPolarHBondContact O-CG 3.5Å; E54-K58 PolarHBondContact O-N 3.17Å
55R83.2Confident83.5Confident209 Ų20974.3 Ų74.379%0.78937%0.367SS*.Hα-helixtrans-71.2-50.6177.2-177.3-179.3176178.5-4.7111.4E53 K58 Q59E53-R55 PolarHBondContact O-N 2.98Å; E53-R55 VanDerWaalsContact O-N 3.08Å; R55-K58 PolarHBondContact O-N 3.19Å; R55-Q59 PolarHBondContact O-N 3.4Å
56D81.8Confident82.8Confident75 Ų7578.6 Ų78.640%0.40139%0.393SS..Hα-helixtrans-68.8-40.6-176.7-56.2-36.5000110.8E53 K58 Q59 L60E53-D56 WeakPolarHBondContact CB-OD2 3.34Å; E53-D56 PolarHBondContact O-N 3.49Å; D56-K58 VanDerWaalsContact C-N 3.33Å; D56-K58 PolarHBondContact O-N 3.06Å; D56-Q59 WeakPolarHBondContact O-CB 3.49Å; D56-Q59 PolarHBondContact O-N 3.33Å; D56-Q59 VanDerWaalsContact O-N 3.14Å; D56-L60 PolarHBondContact O-N 2.95Å
57L84.8Confident82.4Confident12 Ų1276.6 Ų76.66%0.06340%0.395CS..Hα-helixtrans-58.9-44.5174.1178.261.5000111.7V41 L45 F52 E53 Q59 L60 I61 L80V41-L57 HydrophobicContact CG1-CD1 4.04Å; L45-L57 HydrophobicContact CD1-CD1 3.55Å; L45-L57 HydrophobicContact CD1-CD2 4.42Å; F52-L57 HydrophobicContact CD2-CB 3.76Å; F52-L57 HydrophobicContact CD2-CD2 3.71Å; F52-L57 HydrophobicContact CD2-CG 4.3Å; F52-L57 HydrophobicContact CE2-CB 4.25Å; F52-L57 HydrophobicContact CE2-CD2 3.34Å; F52-L57 HydrophobicContact CE2-CG 4.38Å; F52-L57 HydrophobicContact CG-CB 4.46Å; F52-L57 HydrophobicContact CZ-CD2 3.88Å; E53-L57 PolarHBondContact O-N 3.49Å; E53-L57 VanDerWaalsContact O-N 3.1Å; L57-Q59 VanDerWaalsContact C-N 3.29Å; L57-Q59 PolarHBondContact O-N 3.37Å; L57-L60 PolarHBondContact O-N 3.26Å; L57-I61 HydrophobicContact CD1-CD1 3.82Å; L57-I61 HydrophobicContact CD1-CG1 3.98Å; L57-I61 HydrophobicContact CD2-CD1 4.25Å; L57-I61 HydrophobicContact CG-CD1 3.69Å; L57-I61 HydrophobicContact CG-CG1 4.27Å; L57-I61 VanDerWaalsContact O-CB 3.3Å; L57-I61 WeakPolarHBondContact O-CB 3.4Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 3.01Å; L57-L80 HydrophobicContact CD1-CD2 4.43Å
58K84.7Confident81.9Confident140 Ų14076 Ų7661%0.60940%0.403SS*.Hα-helixtrans-64.2-36177.9-79.6174.1-174.9173.30112.3E54 R55 D56 K62E54-K58 WeakPolarHBondContact O-CB 3.36Å; E54-K58 WeakPolarHBondContact O-CD 3.49Å; E54-K58 WeakPolarHBondContact O-CG 3.5Å; E54-K58 PolarHBondContact O-N 3.17Å; R55-K58 PolarHBondContact O-N 3.19Å; D56-K58 VanDerWaalsContact C-N 3.33Å; D56-K58 PolarHBondContact O-N 3.06Å; K58-K62 WeakPolarHBondContact O-CB 3.49Å; K58-K62 PolarHBondContact O-N 3.32Å; K58-K62 VanDerWaalsContact O-N 3.1Å
59Q83.4Confident81.8Confident107 Ų10777 Ų7750%0.541%0.412SS..Hα-helixtrans-66.9-48.1178.3-173.656.363.400110.6R55 D56 L57 K62 E63R55-Q59 PolarHBondContact O-N 3.4Å; D56-Q59 WeakPolarHBondContact O-CB 3.49Å; D56-Q59 PolarHBondContact O-N 3.33Å; D56-Q59 VanDerWaalsContact O-N 3.14Å; L57-Q59 VanDerWaalsContact C-N 3.29Å; L57-Q59 PolarHBondContact O-N 3.37Å; Q59-K62 WeakPolarHBondContact O-CB 3.46Å; Q59-K62 PolarHBondContact O-N 2.78Å; Q59-E63 PolarHBondContact O-N 2.74Å
60L81.6Confident81.9Confident13 Ų1374.6 Ų74.67%0.06839%0.388CS..Hα-helixtrans-62.8-47.5176.3-74.7171.6000111.7D56 L57 K62 E63 F64 F84D56-L60 PolarHBondContact O-N 2.95Å; L57-L60 PolarHBondContact O-N 3.26Å; L60-K62 PolarHBondContact O-N 2.96Å; L60-E63 WeakPolarHBondContact O-CA 3.33Å; L60-E63 WeakPolarHBondContact O-CB 3.44Å; L60-E63 PolarHBondContact O-N 3.28Å; L60-F64 VanDerWaalsContact O-CD2 3.31Å; L60-F64 WeakPolarHBondContact O-CD2 3.43Å; L60-F64 PolarHBondContact O-N 3.42Å; L60-F84 HydrophobicContact CD1-CD2 3.5Å; L60-F84 VanDerWaalsContact CD1-CD2 3.5Å; L60-F84 HydrophobicContact CD1-CE2 4.05Å
61I85.1Confident82.4Confident16 Ų1674.9 Ų74.98%0.08239%0.389CS..Hα-helixtrans-52.3-45.4175.7-77.3171.9000110.6T38 V41 L57 E63 F64 D65 L80T38-I61 HydrophobicContact CG2-CG2 3.28Å; V41-I61 HydrophobicContact CB-CD1 4.11Å; V41-I61 HydrophobicContact CG1-CD1 4.38Å; V41-I61 HydrophobicContact CG1-CG1 4.5Å; V41-I61 HydrophobicContact CG2-CD1 4.47Å; L57-I61 HydrophobicContact CD1-CD1 3.82Å; L57-I61 HydrophobicContact CD1-CG1 3.98Å; L57-I61 HydrophobicContact CD2-CD1 4.25Å; L57-I61 HydrophobicContact CG-CD1 3.69Å; L57-I61 HydrophobicContact CG-CG1 4.27Å; L57-I61 VanDerWaalsContact O-CB 3.3Å; L57-I61 WeakPolarHBondContact O-CB 3.4Å; L57-I61 WeakPolarHBondContact O-CG1 3.47Å; L57-I61 PolarHBondContact O-N 3.01Å; I61-E63 PolarHBondContact O-N 3.09Å; I61-F64 PolarHBondContact O-N 2.68Å; I61-F64 VanDerWaalsContact O-N 3.17Å; I61-D65 HydrophobicContact CG2-CB 4.27Å; I61-D65 WeakPolarHBondContact O-CB 3.49Å; I61-D65 PolarHBondContact O-N 2.62Å; I61-L80 HydrophobicContact CB-CD1 4.48Å; I61-L80 HydrophobicContact CG1-CD1 3.77Å
62K83Confident82.9Confident148 Ų14870.8 Ų70.864%0.64336%0.356SS*.Hα-helixtrans-65.1-25.6179.2-173.4-177.5176-170.90113.3K58 Q59 L60K58-K62 WeakPolarHBondContact O-CB 3.49Å; K58-K62 PolarHBondContact O-N 3.32Å; K58-K62 VanDerWaalsContact O-N 3.1Å; Q59-K62 WeakPolarHBondContact O-CB 3.46Å; Q59-K62 PolarHBondContact O-N 2.78Å; L60-K62 PolarHBondContact O-N 2.96Å
63E81.2Confident83.2Confident52 Ų5273.5 Ų73.524%0.24337%0.368CS..Hα-helixtrans-73.1-34.5174.9-69.7173.568.100112.2M1 Q59 L60 I61 T66 R83M1-E63 HydrophobicContact CE-CB 4.26Å; M1-E63 WeakPolarHBondContact CE-OE1 3.33Å; M1-E63 WeakPolarHBondContact CG-O 2.87Å; M1-E63 HydrophobicContact SD-CB 4.38Å; Q59-E63 PolarHBondContact O-N 2.74Å; L60-E63 WeakPolarHBondContact O-CA 3.33Å; L60-E63 WeakPolarHBondContact O-CB 3.44Å; L60-E63 PolarHBondContact O-N 3.28Å; I61-E63 PolarHBondContact O-N 3.09Å; E63-T66 WeakPolarHBondContact O-CG2 3.38Å; E63-R83 IonicContact OE1-CZ 3.6Å; E63-R83 IonicContact OE1-NH1 3.85Å; E63-R83 PolarHBondContact OE1-NH1 3Å; E63-R83 IonicContact OE1-NH2 2.74Å; E63-R83 PolarHBondContact OE1-NH2 3.37Å
64F80.3Confident83.5Confident7 Ų768.9 Ų68.93%0.03135%0.347CS..Hα-helixtrans-84.7-49.5177-73-86.7000112M1 V6 L60 I61 T66 I72 E76 A79 L80 R83M1-F64 HydrophobicContact SD-CE1 4.49Å; M1-F64 HydrophobicContact SD-CZ 4.39Å; V6-F64 HydrophobicContact CG2-CD1 4.4Å; V6-F64 HydrophobicContact CG2-CE1 4.33Å; L60-F64 VanDerWaalsContact O-CD2 3.31Å; L60-F64 WeakPolarHBondContact O-CD2 3.43Å; L60-F64 PolarHBondContact O-N 3.42Å; I61-F64 PolarHBondContact O-N 2.68Å; I61-F64 VanDerWaalsContact O-N 3.17Å; F64-T66 WeakPolarHBondContact O-CG2 3.1Å; F64-T66 PolarHBondContact O-N 3.41Å; F64-I72 HydrophobicContact CB-CD1 4.34Å; F64-E76 HydrophobicContact CD1-CB 4.49Å; F64-A79 HydrophobicContact CD1-CB 4.38Å; F64-A79 HydrophobicContact CE1-CB 3.56Å; F64-A79 HydrophobicContact CZ-CB 4.27Å; F64-L80 HydrophobicContact CB-CD1 4.36Å; F64-L80 HydrophobicContact CD1-CB 4.33Å; F64-L80 HydrophobicContact CD2-CB 3.77Å; F64-L80 HydrophobicContact CD2-CD1 3.9Å; F64-L80 HydrophobicContact CD2-CG 3.91Å; F64-L80 HydrophobicContact CE1-CB 4.41Å; F64-L80 HydrophobicContact CE2-CB 3.87Å; F64-L80 HydrophobicContact CE2-CG 4.13Å; F64-L80 HydrophobicContact CG-CB 4.04Å; F64-L80 HydrophobicContact CG-CD1 4.29Å; F64-L80 HydrophobicContact CZ-CB 4.19Å; F64-R83 HydrophobicContact CZ-CB 4.25Å
65D83.6Confident83.7Confident20 Ų2068.6 Ų68.611%0.10735%0.345CS..  trans-71.267.2173.9-175.113.9000111.6T38 I61 D67 G68 S69 G70 I72T38-D65 HydrophobicContact CG2-CB 4.44Å; I61-D65 HydrophobicContact CG2-CB 4.27Å; I61-D65 WeakPolarHBondContact O-CB 3.49Å; I61-D65 PolarHBondContact O-N 2.62Å; D65-D67 VanDerWaalsContact C-N 3.34Å; D65-D67 VanDerWaalsContact OD1-OD1 3.05Å; D65-G68 PolarHBondContact O-N 2.86Å; D65-G68 VanDerWaalsContact OD1-C 3.32Å; D65-G68 WeakPolarHBondContact OD1-CA 3.48Å; D65-G68 PolarHBondContact OD1-N 2.87Å; D65-S69 PolarHBondContact OD1-N 2.6Å; D65-S69 PolarHBondContact OD1-OG 3.44Å; D65-G70 PolarHBondContact OD1-N 2.99Å; D65-G70 WeakPolarHBondContact OD2-CA 3.43Å; D65-G70 PolarHBondContact OD2-N 3.03Å; D65-I72 HydrophobicContact CB-CD1 3.75Å
66T72.5Confident83.9Confident90 Ų9060.1 Ų60.155%0.55231%0.314SS*.SBendtrans-73.5-26.8-17359.60000113.6E63 F64 G68E63-T66 WeakPolarHBondContact O-CG2 3.38Å; F64-T66 WeakPolarHBondContact O-CG2 3.1Å; F64-T66 PolarHBondContact O-N 3.41Å; T66-G68 VanDerWaalsContact C-N 3.31Å
67D78.8Confident84.3Confident119 Ų11956.5 Ų56.564%0.63630%0.295SS*.SBendtrans-83.4-13.4174.377.5-23.2000111.9D65 S69D65-D67 VanDerWaalsContact C-N 3.34Å; D65-D67 VanDerWaalsContact OD1-OD1 3.05Å; D67-S69 PolarHBondContact O-N 3.34Å; D67-S69 VanDerWaalsContact OD1-CB 3.25Å; D67-S69 WeakPolarHBondContact OD1-CB 3.08Å; D67-S69 PolarHBondContact OD1-N 2.9Å; D67-S69 PolarHBondContact OD1-OG 2.98Å; D67-S69 VanDerWaalsContact OD2-CB 3.31Å; D67-S69 WeakPolarHBondContact OD2-CB 3.27Å; D67-S69 PolarHBondContact OD2-OG 3.46Å
68G77.6Confident84.5Confident57 Ų5756 Ų5659%0.58829%0.292SS*.  trans66.324-179.300000112.1D65 T66 G70D65-G68 PolarHBondContact O-N 2.86Å; D65-G68 VanDerWaalsContact OD1-C 3.32Å; D65-G68 WeakPolarHBondContact OD1-CA 3.48Å; D65-G68 PolarHBondContact OD1-N 2.87Å; T66-G68 VanDerWaalsContact C-N 3.31Å; G68-G70 PolarHBondContact O-N 3.36Å
69S83.1Confident84.5Confident49 Ų4949.3 Ų49.334%0.34326%0.263SS..  trans-61.1-26.5174.457.60000111.2D65 D67 E71D65-S69 PolarHBondContact OD1-N 2.6Å; D65-S69 PolarHBondContact OD1-OG 3.44Å; D67-S69 PolarHBondContact O-N 3.34Å; D67-S69 VanDerWaalsContact OD1-CB 3.25Å; D67-S69 WeakPolarHBondContact OD1-CB 3.08Å; D67-S69 PolarHBondContact OD1-N 2.9Å; D67-S69 PolarHBondContact OD1-OG 2.98Å; D67-S69 VanDerWaalsContact OD2-CB 3.31Å; D67-S69 WeakPolarHBondContact OD2-CB 3.27Å; D67-S69 PolarHBondContact OD2-OG 3.46Å; S69-E71 PolarHBondContact O-N 3.1Å; S69-E71 PolarHBondContact OG-N 3.14Å; S69-E71 VanDerWaalsContact OG-N 3.08Å; S69-E71 PolarHBondContact OG-O 3.37Å
70G86.4Confident84.7Confident14 Ų1444.2 Ų44.214%0.14424%0.239CC..SBendtrans71.916-168.500000112.1H37 T38 D65 G68H37-G70 VanDerWaalsContact CA-O 3.31Å; H37-G70 WeakPolarHBondContact CA-O 3.35Å; H37-G70 PolarHBondContact ND1-O 3.45Å; T38-G70 PolarHBondContact N-O 3.34Å; D65-G70 PolarHBondContact OD1-N 2.99Å; D65-G70 WeakPolarHBondContact OD2-CA 3.43Å; D65-G70 PolarHBondContact OD2-N 3.03Å; G68-G70 PolarHBondContact O-N 3.36Å
71E89.9Confident84.8Confident57 Ų5743.6 Ų43.627%0.26624%0.236SC..EExtended strand (participates in β ladder)trans-114.6131175.5-59.8-178.7146.300107.3Y35 I36 H37 S69Y35-E71 HydrophobicContact CD2-CB 3.87Å; Y35-E71 HydrophobicContact CD2-CG 3.86Å; Y35-E71 HydrophobicContact CE2-CB 4.47Å; Y35-E71 VanDerWaalsContact CE2-CD 3.44Å; Y35-E71 HydrophobicContact CE2-CG 3.98Å; Y35-E71 WeakPolarHBondContact CE2-OE1 3.3Å; Y35-E71 HydrophobicContact CG-CB 4.13Å; Y35-E71 PolarHBondContact OH-OE1 2.87Å; I36-E71 CarbonylContact O-C 3.49Å; I36-E71 WeakPolarHBondContact O-CA 3.41Å; H37-E71 IonicContact CE1-OE1 2.62Å; S69-E71 PolarHBondContact O-N 3.1Å; S69-E71 PolarHBondContact OG-N 3.14Å; S69-E71 VanDerWaalsContact OG-N 3.08Å; S69-E71 PolarHBondContact OG-O 3.37Å
72I89.2Confident84.8Confident0 Ų042.9 Ų42.90%023%0.233CC..EExtended strand (participates in β ladder)trans-118.7121.5-179.9-62.8-70.1000107Y35 I36 T38 V41 F64 D65 E76 F77Y35-I72 CarbonylContact C-O 3.55Å; Y35-I72 VanDerWaalsContact CA-O 3.25Å; Y35-I72 WeakPolarHBondContact CA-O 3.11Å; I36-I72 HydrophobicContact CG1-CB 4.33Å; I36-I72 PolarHBondContact N-O 3.36Å; I36-I72 PolarHBondContact O-N 2.92Å; T38-I72 HydrophobicContact CG2-CD1 4.1Å; T38-I72 HydrophobicContact CG2-CG1 3.7Å; V41-I72 HydrophobicContact CG2-CB 4.5Å; V41-I72 HydrophobicContact CG2-CG1 4.21Å; F64-I72 HydrophobicContact CB-CD1 4.34Å; D65-I72 HydrophobicContact CB-CD1 3.75Å; I72-E76 WeakPolarHBondContact CA-OE2 3.45Å; I72-E76 HydrophobicContact CG2-CB 3.8Å; I72-F77 HydrophobicContact CG2-CB 3.7Å
73E90Very high84.5Confident91 Ų9139.1 Ų39.143%0.42521%0.214SC..EExtended strand (participates in β ladder)trans-72.9166.5175.5-68.7115.6-17100112.3G34 E75 E76 F77G34-E73 WeakPolarHBondContact O-CA 3.17Å; E73-E75 VanDerWaalsContact C-N 3.3Å; E73-E75 PolarHBondContact O-N 2.93Å; E73-E76 HydrophobicContact CB-CG 4.42Å; E73-E76 PolarHBondContact N-OE2 3.08Å; E73-E76 PolarHBondContact O-N 3.21Å; E73-E76 VanDerWaalsContact OE2-CD 3.3Å; E73-F77 VanDerWaalsContact O-CB 3.23Å; E73-F77 WeakPolarHBondContact O-CB 3.35Å; E73-F77 PolarHBondContact O-N 3.44Å
74F89.8Confident84.2Confident44 Ų4437.8 Ų37.819%0.19321%0.208CC..Hα-helixtrans-58.2-41.7179.4172.4-107.7000112.9I18 F21 R22 F25 G34 F77 A78I18-F74 HydrophobicContact CG2-CE1 4.35Å; I18-F74 HydrophobicContact CG2-CZ 4.03Å; F21-F74 HydrophobicContact CB-CE2 4.39Å; R22-F74 HydrophobicContact CB-CD2 4.46Å; R22-F74 HydrophobicContact CB-CE2 3.6Å; R22-F74 HydrophobicContact CB-CZ 3.68Å; R22-F74 HydrophobicContact CG-CD2 4.4Å; R22-F74 HydrophobicContact CG-CE2 3.95Å; R22-F74 HydrophobicContact CG-CZ 4.03Å; F25-F74 HydrophobicContact CB-CD2 3.9Å; F25-F74 HydrophobicContact CB-CE2 4.41Å; F25-F74 HydrophobicContact CD1-CB 4.26Å; F25-F74 HydrophobicContact CD1-CD2 4.21Å; F25-F74 HydrophobicContact CD2-CB 4.28Å; F25-F74 HydrophobicContact CD2-CD2 4.07Å; F25-F74 HydrophobicContact CE1-CB 4.04Å; F25-F74 VanDerWaalsContact CE2-CA 3.48Å; F25-F74 HydrophobicContact CE2-CB 4.03Å; F25-F74 HydrophobicContact CG-CB 4.37Å; F25-F74 AromaticContact CG-CD2 3.8Å; F25-F74 HydrophobicContact CG-CD2 3.8Å; F25-F74 HydrophobicContact CZ-CB 3.9Å; G34-F74 PolarHBondContact O-N 3.47Å; F74-F77 PolarHBondContact O-N 3.28Å; F74-A78 HydrophobicContact CE2-CB 4.24Å; F74-A78 HydrophobicContact CZ-CB 4.19Å; F74-A78 WeakPolarHBondContact O-CB 3.49Å; F74-A78 PolarHBondContact O-N 3.06Å
75E88.2Confident83.7Confident121 Ų12139 Ų3957%0.56522%0.216SC*.Hα-helixtrans-64.7-46.6-179.2-67174.6110.800110.8V6 L10 E73 A78 A79V6-E75 HydrophobicContact CG1-CB 3.99Å; L10-E75 HydrophobicContact CD1-CB 4.05Å; L10-E75 HydrophobicContact CD1-CG 4.22Å; E73-E75 VanDerWaalsContact C-N 3.3Å; E73-E75 PolarHBondContact O-N 2.93Å; E75-A78 PolarHBondContact O-N 3.3Å; E75-A79 WeakPolarHBondContact O-CB 3.49Å; E75-A79 PolarHBondContact O-N 3.23Å
76E87Confident82.8Confident30 Ų3039.9 Ų39.914%0.1422%0.22CC..Hα-helixtrans-64.7-41.1174.7-60.4-178.612300112.3F64 I72 E73 A79 L80F64-E76 HydrophobicContact CD1-CB 4.49Å; I72-E76 WeakPolarHBondContact CA-OE2 3.45Å; I72-E76 HydrophobicContact CG2-CB 3.8Å; E73-E76 HydrophobicContact CB-CG 4.42Å; E73-E76 PolarHBondContact N-OE2 3.08Å; E73-E76 PolarHBondContact O-N 3.21Å; E73-E76 VanDerWaalsContact OE2-CD 3.3Å; E76-A79 PolarHBondContact O-N 2.89Å; E76-L80 WeakPolarHBondContact O-CB 3.42Å; E76-L80 PolarHBondContact O-N 3.29Å
77F89.1Confident81.9Confident0 Ų040.8 Ų40.80%022%0.218CC..Hα-helixtrans-62.4-46.7175.9168.3-100.9000110.6F21 F25 I36 V41 I44 M48 I72 E73 F74 L80 V81F21-F77 HydrophobicContact CB-CE1 4.13Å; F25-F77 HydrophobicContact CB-CD1 4.13Å; F25-F77 HydrophobicContact CB-CE1 4.2Å; F25-F77 HydrophobicContact CD2-CB 3.92Å; F25-F77 AromaticContact CD2-CD1 3.74Å; F25-F77 HydrophobicContact CD2-CD1 3.74Å; F25-F77 HydrophobicContact CD2-CE1 4.49Å; F25-F77 AromaticContact CD2-CG 3.84Å; F25-F77 HydrophobicContact CD2-CG 3.84Å; F25-F77 HydrophobicContact CE2-CB 4.1Å; F25-F77 HydrophobicContact CE2-CG 4.47Å; F25-F77 HydrophobicContact CG-CD1 4.41Å; I36-F77 HydrophobicContact CD1-CD2 3.73Å; I36-F77 HydrophobicContact CD1-CE2 4.21Å; I36-F77 HydrophobicContact CD1-CG 4.19Å; V41-F77 HydrophobicContact CG1-CD2 4.34Å; V41-F77 HydrophobicContact CG1-CE2 4.34Å; V41-F77 HydrophobicContact CG2-CD2 4.44Å; I44-F77 HydrophobicContact CB-CE2 4.1Å; I44-F77 HydrophobicContact CB-CZ 4.17Å; I44-F77 HydrophobicContact CD1-CD2 4.42Å; I44-F77 HydrophobicContact CD1-CE2 3.76Å; I44-F77 HydrophobicContact CD1-CZ 4Å; I44-F77 HydrophobicContact CG2-CE1 4.46Å; I44-F77 HydrophobicContact CG2-CE2 3.81Å; I44-F77 HydrophobicContact CG2-CZ 3.37Å; M48-F77 HydrophobicContact CE-CE1 4.26Å; M48-F77 HydrophobicContact CE-CZ 3.87Å; I72-F77 HydrophobicContact CG2-CB 3.7Å; E73-F77 VanDerWaalsContact O-CB 3.23Å; E73-F77 WeakPolarHBondContact O-CB 3.35Å; E73-F77 PolarHBondContact O-N 3.44Å; F74-F77 PolarHBondContact O-N 3.28Å; F77-L80 PolarHBondContact O-N 3.35Å; F77-V81 HydrophobicContact CD1-CG2 4.43Å; F77-V81 HydrophobicContact CD2-CG2 3.99Å; F77-V81 HydrophobicContact CE1-CG2 3.94Å; F77-V81 HydrophobicContact CE2-CG2 3.43Å; F77-V81 VanDerWaalsContact CE2-CG2 3.43Å; F77-V81 HydrophobicContact CG-CG2 4.45Å; F77-V81 HydrophobicContact CZ-CG2 3.38Å; F77-V81 WeakPolarHBondContact O-CB 3.25Å; F77-V81 VanDerWaalsContact O-CG2 3.28Å; F77-V81 WeakPolarHBondContact O-CG2 3.4Å; F77-V81 PolarHBondContact O-N 3.15Å
78A89.5Confident80.4Confident0 Ų041.1 Ų41.10%022%0.215CC..Hα-helixtrans-66.4-38.9179.900000111.1L10 L13 F21 F74 E75 A82L10-A78 HydrophobicContact CD2-CB 3.43Å; L10-A78 VanDerWaalsContact CD2-CB 3.43Å; L13-A78 HydrophobicContact CD1-CB 4.37Å; F21-A78 HydrophobicContact CD2-CB 4.26Å; F74-A78 HydrophobicContact CE2-CB 4.24Å; F74-A78 HydrophobicContact CZ-CB 4.19Å; F74-A78 WeakPolarHBondContact O-CB 3.49Å; F74-A78 PolarHBondContact O-N 3.06Å; E75-A78 PolarHBondContact O-N 3.3Å; A78-A82 WeakPolarHBondContact O-CA 3.41Å; A78-A82 WeakPolarHBondContact O-CB 3.19Å; A78-A82 PolarHBondContact O-N 2.87Å
79A85.6Confident78.8Confident0 Ų042.5 Ų42.50%021%0.209CC..Hα-helixtrans-68.3-35.717200000112.9V6 A9 F64 E75 E76 A82 R83V6-A79 HydrophobicContact CB-CB 4.16Å; V6-A79 HydrophobicContact CG1-CB 3.88Å; V6-A79 HydrophobicContact CG2-CB 4.17Å; A9-A79 HydrophobicContact CB-CB 3.79Å; F64-A79 HydrophobicContact CD1-CB 4.38Å; F64-A79 HydrophobicContact CE1-CB 3.56Å; F64-A79 HydrophobicContact CZ-CB 4.27Å; E75-A79 WeakPolarHBondContact O-CB 3.49Å; E75-A79 PolarHBondContact O-N 3.23Å; E76-A79 PolarHBondContact O-N 2.89Å; A79-A82 PolarHBondContact O-N 2.7Å; A79-R83 VanDerWaalsContact O-CB 3.26Å; A79-R83 WeakPolarHBondContact O-CB 3.41Å; A79-R83 PolarHBondContact O-N 2.93Å
80L86.4Confident76.8Confident0 Ų044.9 Ų44.90%022%0.218CC..Hα-helixtrans-65.1-46.9174-177.4157000110.8V41 L57 I61 F64 E76 F77 R83 F84V41-L80 HydrophobicContact CG1-CD1 4.34Å; V41-L80 HydrophobicContact CG1-CD2 3.77Å; L57-L80 HydrophobicContact CD1-CD2 4.43Å; I61-L80 HydrophobicContact CB-CD1 4.48Å; I61-L80 HydrophobicContact CG1-CD1 3.77Å; F64-L80 HydrophobicContact CB-CD1 4.36Å; F64-L80 HydrophobicContact CD1-CB 4.33Å; F64-L80 HydrophobicContact CD2-CB 3.77Å; F64-L80 HydrophobicContact CD2-CD1 3.9Å; F64-L80 HydrophobicContact CD2-CG 3.91Å; F64-L80 HydrophobicContact CE1-CB 4.41Å; F64-L80 HydrophobicContact CE2-CB 3.87Å; F64-L80 HydrophobicContact CE2-CG 4.13Å; F64-L80 HydrophobicContact CG-CB 4.04Å; F64-L80 HydrophobicContact CG-CD1 4.29Å; F64-L80 HydrophobicContact CZ-CB 4.19Å; E76-L80 WeakPolarHBondContact O-CB 3.42Å; E76-L80 PolarHBondContact O-N 3.29Å; F77-L80 PolarHBondContact O-N 3.35Å; L80-R83 PolarHBondContact O-N 3.37Å; L80-F84 VanDerWaalsContact O-CB 3.25Å; L80-F84 WeakPolarHBondContact O-CB 3.35Å; L80-F84 PolarHBondContact O-N 3.22Å
81V85.4Confident74.8Confident0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-68.6-39.8176.7177.90000110.6F21 L45 M48 F77 F84 V85F21-V81 HydrophobicContact CD1-CG1 4.03Å; F21-V81 HydrophobicContact CD2-CB 4.35Å; F21-V81 HydrophobicContact CD2-CG1 4.23Å; F21-V81 HydrophobicContact CE1-CG1 3.59Å; F21-V81 HydrophobicContact CE2-CB 4.16Å; F21-V81 HydrophobicContact CE2-CG1 3.79Å; F21-V81 HydrophobicContact CG-CG1 4.34Å; F21-V81 HydrophobicContact CZ-CB 4.34Å; F21-V81 HydrophobicContact CZ-CG1 3.47Å; F21-V81 VanDerWaalsContact CZ-CG1 3.47Å; L45-V81 HydrophobicContact CD2-CG1 4.4Å; L45-V81 HydrophobicContact CD2-CG2 3.97Å; M48-V81 HydrophobicContact CE-CG1 4.35Å; M48-V81 HydrophobicContact SD-CG1 3.97Å; F77-V81 HydrophobicContact CD1-CG2 4.43Å; F77-V81 HydrophobicContact CD2-CG2 3.99Å; F77-V81 HydrophobicContact CE1-CG2 3.94Å; F77-V81 HydrophobicContact CE2-CG2 3.43Å; F77-V81 VanDerWaalsContact CE2-CG2 3.43Å; F77-V81 HydrophobicContact CG-CG2 4.45Å; F77-V81 HydrophobicContact CZ-CG2 3.38Å; F77-V81 WeakPolarHBondContact O-CB 3.25Å; F77-V81 VanDerWaalsContact O-CG2 3.28Å; F77-V81 WeakPolarHBondContact O-CG2 3.4Å; F77-V81 PolarHBondContact O-N 3.15Å; V81-F84 PolarHBondContact O-N 3.16Å; V81-V85 HydrophobicContact CG1-CG2 3.75Å; V81-V85 VanDerWaalsContact O-CB 3.28Å; V81-V85 WeakPolarHBondContact O-CB 3.36Å; V81-V85 VanDerWaalsContact O-CG2 3.24Å; V81-V85 WeakPolarHBondContact O-CG2 3.49Å; V81-V85 PolarHBondContact O-N 3.07Å
82A83.7Confident72.7Confident1 Ų147.6 Ų47.61%0.00824%0.244CC..Hα-helixtrans-55.4-5617200000109.2A9 L13 A78 A79 F84 V85 M86A9-A82 HydrophobicContact CB-CB 4.17Å; L13-A82 HydrophobicContact CD1-CB 3.99Å; L13-A82 HydrophobicContact CD2-CB 3.71Å; L13-A82 HydrophobicContact CG-CB 3.89Å; A78-A82 WeakPolarHBondContact O-CA 3.41Å; A78-A82 WeakPolarHBondContact O-CB 3.19Å; A78-A82 PolarHBondContact O-N 2.87Å; A79-A82 PolarHBondContact O-N 2.7Å; A82-F84 VanDerWaalsContact C-N 3.28Å; A82-F84 PolarHBondContact O-N 3.32Å; A82-V85 PolarHBondContact O-N 2.95Å; A82-M86 HydrophobicContact CB-SD 4.07Å; A82-M86 VanDerWaalsContact O-CA 3.29Å; A82-M86 WeakPolarHBondContact O-CA 3.4Å; A82-M86 WeakPolarHBondContact O-CB 3.45Å; A82-M86 WeakPolarHBondContact O-CG 3.44Å; A82-M86 PolarHBondContact O-N 3.35Å
83R76.8Confident70.8Confident69 Ų6951.6 Ų51.626%0.2627%0.265SS..Hα-helixtrans-61-35.2178.2-168.3172.1178.2-152.6-1.5112.8E63 F64 A79 L80 Q87E63-R83 IonicContact OE1-CZ 3.6Å; E63-R83 IonicContact OE1-NH1 3.85Å; E63-R83 PolarHBondContact OE1-NH1 3Å; E63-R83 IonicContact OE1-NH2 2.74Å; E63-R83 PolarHBondContact OE1-NH2 3.37Å; F64-R83 HydrophobicContact CZ-CB 4.25Å; A79-R83 VanDerWaalsContact O-CB 3.26Å; A79-R83 WeakPolarHBondContact O-CB 3.41Å; A79-R83 PolarHBondContact O-N 2.93Å; L80-R83 PolarHBondContact O-N 3.37Å; R83-Q87 HydrophobicContact CG-CG 4.26Å; R83-Q87 WeakPolarHBondContact O-CB 3.28Å; R83-Q87 WeakPolarHBondContact O-CG 3.14Å; R83-Q87 PolarHBondContact O-N 3Å
84F74.6Confident69Low25 Ų2550.2 Ų50.211%0.1126%0.26CS..Hα-helixtrans-70.3-47.6178.4-164.4-84.8000112.3L45 Q50 F52 L60 L80 V81 A82L45-F84 HydrophobicContact CD1-CG 4.49Å; L45-F84 HydrophobicContact CD2-CD1 4.28Å; Q50-F84 HydrophobicContact CB-CE1 4.35Å; F52-F84 HydrophobicContact CB-CE1 4.08Å; F52-F84 HydrophobicContact CB-CE2 3.82Å; F52-F84 HydrophobicContact CB-CZ 3.29Å; F52-F84 HydrophobicContact CG-CZ 4.42Å; L60-F84 HydrophobicContact CD1-CD2 3.5Å; L60-F84 VanDerWaalsContact CD1-CD2 3.5Å; L60-F84 HydrophobicContact CD1-CE2 4.05Å; L80-F84 VanDerWaalsContact O-CB 3.25Å; L80-F84 WeakPolarHBondContact O-CB 3.35Å; L80-F84 PolarHBondContact O-N 3.22Å; V81-F84 PolarHBondContact O-N 3.16Å; A82-F84 VanDerWaalsContact C-N 3.28Å; A82-F84 PolarHBondContact O-N 3.32Å
85V70.8Confident67.5Low31 Ų3151.3 Ų51.319%0.18827%0.265CS..Hα-helixtrans-78.5-39.2-177.3177.60000110.7Q50 V81 A82 E88 D89Q50-V85 HydrophobicContact CG-CG2 4.16Å; V81-V85 HydrophobicContact CG1-CG2 3.75Å; V81-V85 VanDerWaalsContact O-CB 3.28Å; V81-V85 WeakPolarHBondContact O-CB 3.36Å; V81-V85 VanDerWaalsContact O-CG2 3.24Å; V81-V85 WeakPolarHBondContact O-CG2 3.49Å; V81-V85 PolarHBondContact O-N 3.07Å; A82-V85 PolarHBondContact O-N 2.95Å; V85-E88 PolarHBondContact O-N 2.66Å; V85-D89 PolarHBondContact O-N 2.78Å
86M63.6Low66.3Low40 Ų4051.1 Ų51.120%0.19727%0.265CS..Hα-helixtrans-76.5-22.4175.8-61.2177.9141.600112.2Q12 L13 A82 E88 D89 D90Q12-M86 HydrophobicContact CB-CE 3.58Å; Q12-M86 HydrophobicContact CB-SD 3.71Å; Q12-M86 WeakPolarHBondContact O-CE 3.24Å; L13-M86 HydrophobicContact CD2-CE 3.99Å; L13-M86 HydrophobicContact CD2-SD 4.24Å; A82-M86 HydrophobicContact CB-SD 4.07Å; A82-M86 VanDerWaalsContact O-CA 3.29Å; A82-M86 WeakPolarHBondContact O-CA 3.4Å; A82-M86 WeakPolarHBondContact O-CB 3.45Å; A82-M86 WeakPolarHBondContact O-CG 3.44Å; A82-M86 PolarHBondContact O-N 3.35Å; M86-E88 VanDerWaalsContact C-N 3.26Å; M86-E88 PolarHBondContact O-N 3.32Å; M86-D89 CarbonylContact O-C 3.59Å; M86-D89 PolarHBondContact O-N 3.33Å; M86-D89 VanDerWaalsContact O-N 3.09Å; M86-D90 WeakPolarHBondContact O-CA 3.29Å; M86-D90 VanDerWaalsContact O-CB 3.27Å; M86-D90 WeakPolarHBondContact O-CB 3.35Å; M86-D90 PolarHBondContact O-N 2.81Å
87Q54.1Low65.3Low108 Ų10854.3 Ų54.351%0.50528%0.28SS..Hα-helixtrans-68-26.6169.7-86.5-176.5-700112.9R83R83-Q87 HydrophobicContact CG-CG 4.26Å; R83-Q87 WeakPolarHBondContact O-CB 3.28Å; R83-Q87 WeakPolarHBondContact O-CG 3.14Å; R83-Q87 PolarHBondContact O-N 3Å
88E47.2Very low64.3Low126 Ų12655.6 Ų55.659%0.58929%0.286SS*.Hα-helixtrans-74.4-33.2167.1-77.8-170.480.600111.6V85 M86V85-E88 PolarHBondContact O-N 2.66Å; M86-E88 VanDerWaalsContact C-N 3.26Å; M86-E88 PolarHBondContact O-N 3.32Å
89D43.5Very low63.4Low87 Ų8760.2 Ų60.247%0.46530%0.304SS..Hα-helixtrans-87.7-18-178.7-120-86.2000114.2V85 M86 S91 A92 N93V85-D89 PolarHBondContact O-N 2.78Å; M86-D89 CarbonylContact O-C 3.59Å; M86-D89 PolarHBondContact O-N 3.33Å; M86-D89 VanDerWaalsContact O-N 3.09Å; D89-S91 VanDerWaalsContact C-N 3.31Å; D89-S91 PolarHBondContact O-N 3.24Å; D89-A92 CarbonylContact O-C 3.49Å; D89-A92 WeakPolarHBondContact O-CA 3.21Å; D89-A92 PolarHBondContact O-N 2.81Å; D89-N93 WeakPolarHBondContact O-CB 2.97Å; D89-N93 PolarHBondContact O-N 3.43Å
90D43.1Very low62.7Low99 Ų9965.8 Ų65.853%0.52933%0.33SS..Hα-helixtrans-68.5-38.2-178.5-121.8-93.9000108.7M86 A92 M94M86-D90 WeakPolarHBondContact O-CA 3.29Å; M86-D90 VanDerWaalsContact O-CB 3.27Å; M86-D90 WeakPolarHBondContact O-CB 3.35Å; M86-D90 PolarHBondContact O-N 2.81Å; D90-A92 VanDerWaalsContact C-N 3.29Å; D90-A92 PolarHBondContact O-N 2.86Å; D90-M94 WeakPolarHBondContact O-CA 3.12Å; D90-M94 WeakPolarHBondContact O-CB 3.31Å; D90-M94 PolarHBondContact O-N 3.45Å
91S44.3Very low62.1Low78 Ų7866.7 Ų66.755%0.54534%0.337SS..Hα-helixtrans-62-36166.9-99.50000112.3D89 E95D89-S91 VanDerWaalsContact C-N 3.31Å; D89-S91 PolarHBondContact O-N 3.24Å; S91-E95 WeakPolarHBondContact O-CA 3.25Å; S91-E95 WeakPolarHBondContact O-CB 3.26Å; S91-E95 PolarHBondContact O-N 3.25Å
92A44.6Very low61.5Low49 Ų4967.1 Ų67.141%0.40534%0.339SS..Hα-helixtrans-79.9-42.3-177.300000113.5D89 D90 E95 E96D89-A92 CarbonylContact O-C 3.49Å; D89-A92 WeakPolarHBondContact O-CA 3.21Å; D89-A92 PolarHBondContact O-N 2.81Å; D90-A92 VanDerWaalsContact C-N 3.29Å; D90-A92 PolarHBondContact O-N 2.86Å; A92-E95 PolarHBondContact O-N 2.75Å; A92-E96 WeakPolarHBondContact O-CB 3.48Å; A92-E96 PolarHBondContact O-N 2.82Å
93N48.9Very low61Low84 Ų8474.6 Ų74.645%0.44937%0.367SS..Hα-helixtrans-78.3-41.1-178.3-151.479.7000110.1D89 E96 E97D89-N93 WeakPolarHBondContact O-CB 2.97Å; D89-N93 PolarHBondContact O-N 3.43Å; N93-E96 PolarHBondContact O-N 3.1Å; N93-E97 WeakPolarHBondContact O-CB 3.3Å; N93-E97 WeakPolarHBondContact O-CG 3.38Å; N93-E97 PolarHBondContact O-N 2.93Å
94M52.8Low61Low63 Ų6377.1 Ų77.131%0.3139%0.385SS..Hα-helixtrans-64.4-40.3167.3-161-177.3-137.700110.1D90 E96 E97 L98 L125D90-M94 WeakPolarHBondContact O-CA 3.12Å; D90-M94 WeakPolarHBondContact O-CB 3.31Å; D90-M94 PolarHBondContact O-N 3.45Å; M94-E96 VanDerWaalsContact C-N 3.32Å; M94-E96 PolarHBondContact O-N 3.21Å; M94-E97 PolarHBondContact O-N 3.47Å; M94-L98 HydrophobicContact CG-CD1 4.4Å; M94-L98 WeakPolarHBondContact O-CA 3.34Å; M94-L98 WeakPolarHBondContact O-CB 3.41Å; M94-L98 PolarHBondContact O-N 3.44Å; M94-L125 HydrophobicContact CG-CD1 4.37Å
95E58.5Low61.1Low66 Ų6680 Ų8031%0.30840%0.396SS..Hα-helixtrans-62.5-36.9174.5-175.3-174.9105.600112.2S91 A92 R99 F151S91-E95 WeakPolarHBondContact O-CA 3.25Å; S91-E95 WeakPolarHBondContact O-CB 3.26Å; S91-E95 PolarHBondContact O-N 3.25Å; A92-E95 PolarHBondContact O-N 2.75Å; E95-R99 VanDerWaalsContact O-CB 3.26Å; E95-R99 WeakPolarHBondContact O-CB 3.32Å; E95-R99 VanDerWaalsContact O-CG 3.3Å; E95-R99 WeakPolarHBondContact O-CG 3.34Å; E95-R99 PolarHBondContact O-N 3Å; E95-R99 IonicContact OE1-CZ 3.08Å; E95-R99 IonicContact OE1-NH1 2.68Å; E95-R99 PolarHBondContact OE1-NH1 3.43Å; E95-R99 IonicContact OE1-NH2 2.75Å; E95-R99 PolarHBondContact OE1-NH2 2.91Å; E95-F151 HydrophobicContact CG-CE1 4.38Å; E95-F151 HydrophobicContact CG-CZ 3.89Å
96E63.8Low61.5Low118 Ų11879.8 Ų79.855%0.55139%0.394SS*.Hα-helixtrans-69.4-48.1175.8-169.9164.2107.500112A92 N93 M94 L98 R99 E100A92-E96 WeakPolarHBondContact O-CB 3.48Å; A92-E96 PolarHBondContact O-N 2.82Å; N93-E96 PolarHBondContact O-N 3.1Å; M94-E96 VanDerWaalsContact C-N 3.32Å; M94-E96 PolarHBondContact O-N 3.21Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.24Å; E96-R99 WeakPolarHBondContact O-CB 3.15Å; E96-R99 PolarHBondContact O-N 3.02Å; E96-E100 WeakPolarHBondContact O-CG 3.17Å; E96-E100 PolarHBondContact O-N 3.11Å
97E65.6Low62Low97 Ų9786.9 Ų86.945%0.45342%0.424SS..Hα-helixtrans-64.6-39.5176.4-70.6-160.798.800111.8N93 M94 E100 A101 L125N93-E97 WeakPolarHBondContact O-CB 3.3Å; N93-E97 WeakPolarHBondContact O-CG 3.38Å; N93-E97 PolarHBondContact O-N 2.93Å; M94-E97 PolarHBondContact O-N 3.47Å; E97-E100 PolarHBondContact O-N 2.98Å; E97-A101 VanDerWaalsContact O-CB 3.29Å; E97-A101 WeakPolarHBondContact O-CB 3.48Å; E97-A101 PolarHBondContact O-N 3.15Å; E97-L125 HydrophobicContact CB-CD2 3.79Å
98L68.6Low63Low27 Ų2790.3 Ų90.314%0.14144%0.439CS..Hα-helixtrans-69.4-34.6176.2-149.6145.4000110M94 E96 F102 L118 I121 L122 L125 F151M94-L98 HydrophobicContact CG-CD1 4.4Å; M94-L98 WeakPolarHBondContact O-CA 3.34Å; M94-L98 WeakPolarHBondContact O-CB 3.41Å; M94-L98 PolarHBondContact O-N 3.44Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.24Å; L98-F102 WeakPolarHBondContact O-CA 3.48Å; L98-F102 WeakPolarHBondContact O-CB 3.44Å; L98-F102 PolarHBondContact O-N 2.83Å; L98-L118 HydrophobicContact CD2-CD1 4.04Å; L98-I121 HydrophobicContact CG-CG2 4.15Å; L98-L122 HydrophobicContact CD1-CD2 3.87Å; L98-L125 HydrophobicContact CB-CD1 4.2Å; L98-L125 HydrophobicContact CD1-CD1 4.07Å; L98-L125 HydrophobicContact CG-CD1 4.23Å; L98-F151 HydrophobicContact CD2-CD2 4.16Å; L98-F151 HydrophobicContact CD2-CE2 3.56Å
99R69.1Low64Low96 Ų9687.2 Ų87.236%0.36244%0.442SS..Hα-helixtrans-61.9-44.1167.4-89.5-170.5-174.6106.814.8112.5E95 E96 R103 F151E95-R99 VanDerWaalsContact O-CB 3.26Å; E95-R99 WeakPolarHBondContact O-CB 3.32Å; E95-R99 VanDerWaalsContact O-CG 3.3Å; E95-R99 WeakPolarHBondContact O-CG 3.34Å; E95-R99 PolarHBondContact O-N 3Å; E95-R99 IonicContact OE1-CZ 3.08Å; E95-R99 IonicContact OE1-NH1 2.68Å; E95-R99 PolarHBondContact OE1-NH1 3.43Å; E95-R99 IonicContact OE1-NH2 2.75Å; E95-R99 PolarHBondContact OE1-NH2 2.91Å; E96-R99 WeakPolarHBondContact O-CB 3.15Å; E96-R99 PolarHBondContact O-N 3.02Å; R99-R103 WeakPolarHBondContact O-CB 3.47Å; R99-R103 WeakPolarHBondContact O-CG 3.49Å; R99-R103 PolarHBondContact O-N 3.19Å; R99-F151 HydrophobicContact CB-CE1 4.3Å; R99-F151 HydrophobicContact CB-CZ 4.3Å; R99-F151 HydrophobicContact CG-CD1 3.76Å; R99-F151 HydrophobicContact CG-CE1 3.02Å; R99-F151 HydrophobicContact CG-CE2 4.31Å; R99-F151 HydrophobicContact CG-CZ 3.33Å
100E71.9Confident65.6Low117 Ų11785.6 Ų85.655%0.54743%0.433SS..Hα-helixtrans-66.5-47.1180-72.7-158.1106.300111.5E96 E97 F102 R103 L104E96-E100 WeakPolarHBondContact O-CG 3.17Å; E96-E100 PolarHBondContact O-N 3.11Å; E97-E100 PolarHBondContact O-N 2.98Å; E100-F102 VanDerWaalsContact C-N 3.35Å; E100-R103 PolarHBondContact O-N 3.5Å; E100-L104 PolarHBondContact O-N 2.82Å
101A72.9Confident67.2Low19 Ų1982.1 Ų82.116%0.15742%0.421CS..Hα-helixtrans-62-43.3174.200000110.9E97 R103 L104 Y105 I121E97-A101 VanDerWaalsContact O-CB 3.29Å; E97-A101 WeakPolarHBondContact O-CB 3.48Å; E97-A101 PolarHBondContact O-N 3.15Å; A101-R103 PolarHBondContact O-N 3.21Å; A101-L104 WeakPolarHBondContact O-CA 3.48Å; A101-L104 VanDerWaalsContact O-CB 3.32Å; A101-L104 WeakPolarHBondContact O-CB 3.42Å; A101-L104 PolarHBondContact O-N 3.28Å; A101-Y105 VanDerWaalsContact O-CD2 3.31Å; A101-Y105 WeakPolarHBondContact O-CD2 3.42Å; A101-Y105 PolarHBondContact O-N 3.4Å; A101-I121 HydrophobicContact CB-CB 4.28Å; A101-I121 HydrophobicContact CB-CD1 4.09Å; A101-I121 HydrophobicContact CB-CG1 3.93Å; A101-I121 HydrophobicContact CB-CG2 3.45Å; A101-I121 VanDerWaalsContact CB-CG2 3.45Å
102F73.9Confident68.9Low9 Ų983.8 Ų83.84%0.03942%0.416CS..Hα-helixtrans-58.9-46.3176-168.3-77.8000111.6L98 E100 L104 Y105 D106 G111 I113 V149 F151L98-F102 WeakPolarHBondContact O-CA 3.48Å; L98-F102 WeakPolarHBondContact O-CB 3.44Å; L98-F102 PolarHBondContact O-N 2.83Å; E100-F102 VanDerWaalsContact C-N 3.35Å; F102-L104 PolarHBondContact O-N 2.76Å; F102-Y105 PolarHBondContact O-N 3.23Å; F102-D106 HydrophobicContact CD1-CB 4.15Å; F102-D106 HydrophobicContact CE1-CB 4.09Å; F102-D106 WeakPolarHBondContact O-CB 3.41Å; F102-D106 PolarHBondContact O-N 3.45Å; F102-G111 WeakPolarHBondContact CZ-O 3.49Å; F102-I113 HydrophobicContact CD1-CG2 4.04Å; F102-I113 HydrophobicContact CD2-CB 4.37Å; F102-I113 HydrophobicContact CD2-CD1 3.39Å; F102-I113 HydrophobicContact CD2-CG1 3.72Å; F102-I113 HydrophobicContact CD2-CG2 3.86Å; F102-I113 HydrophobicContact CE1-CG2 3.89Å; F102-I113 HydrophobicContact CE2-CB 4Å; F102-I113 HydrophobicContact CE2-CD1 3.66Å; F102-I113 HydrophobicContact CE2-CG1 3.4Å; F102-I113 VanDerWaalsContact CE2-CG1 3.4Å; F102-I113 HydrophobicContact CE2-CG2 3.74Å; F102-I113 HydrophobicContact CG-CD1 4.26Å; F102-I113 HydrophobicContact CG-CG2 4.02Å; F102-I113 HydrophobicContact CZ-CB 4.28Å; F102-I113 HydrophobicContact CZ-CG1 4.14Å; F102-I113 HydrophobicContact CZ-CG2 3.75Å; F102-V149 WeakPolarHBondContact CE2-O 3.49Å; F102-V149 WeakPolarHBondContact CZ-O 3.5Å; F102-F151 HydrophobicContact CB-CD2 4.42Å; F102-F151 HydrophobicContact CD1-CB 4.09Å; F102-F151 HydrophobicContact CD2-CB 3.96Å; F102-F151 AromaticContact CD2-CD2 3.79Å; F102-F151 HydrophobicContact CD2-CD2 3.79Å; F102-F151 HydrophobicContact CD2-CG 4.21Å; F102-F151 HydrophobicContact CE1-CB 3.82Å; F102-F151 HydrophobicContact CE2-CB 3.66Å; F102-F151 HydrophobicContact CE2-CD2 4.18Å; F102-F151 HydrophobicContact CE2-CG 4.36Å; F102-F151 HydrophobicContact CG-CB 4.15Å; F102-F151 HydrophobicContact CG-CD2 4.14Å; F102-F151 HydrophobicContact CG-CG 4.3Å; F102-F151 HydrophobicContact CZ-CB 3.57Å
103R72.5Confident70.7Confident158 Ų15881.6 Ų81.660%0.59640%0.397SS*.Hα-helixtrans-62.7-29.5174.4-76.7-175-70.7-124.91.6113.3R99 E100 A101R99-R103 WeakPolarHBondContact O-CB 3.47Å; R99-R103 WeakPolarHBondContact O-CG 3.49Å; R99-R103 PolarHBondContact O-N 3.19Å; E100-R103 PolarHBondContact O-N 3.5Å; A101-R103 PolarHBondContact O-N 3.21Å
104L77.5Confident72.4Confident122 Ų12281.6 Ų81.664%0.63940%0.397SS*.Hα-helixtrans-71.9-35.9176.1-173.867.4000111.8E100 A101 F102E100-L104 PolarHBondContact O-N 2.82Å; A101-L104 WeakPolarHBondContact O-CA 3.48Å; A101-L104 VanDerWaalsContact O-CB 3.32Å; A101-L104 WeakPolarHBondContact O-CB 3.42Å; A101-L104 PolarHBondContact O-N 3.28Å; F102-L104 PolarHBondContact O-N 2.76Å
105Y76.7Confident73.9Confident86 Ų8680 Ų8034%0.33739%0.391SS..Hα-helixtrans-84.2-37.9179-83.1-98.5000112.8A101 F102 K107 D117 D120 I121A101-Y105 VanDerWaalsContact O-CD2 3.31Å; A101-Y105 WeakPolarHBondContact O-CD2 3.42Å; A101-Y105 PolarHBondContact O-N 3.4Å; F102-Y105 PolarHBondContact O-N 3.23Å; Y105-K107 PolarHBondContact O-N 3.44Å; Y105-D117 HydrophobicContact CD1-CB 3.7Å; Y105-D117 HydrophobicContact CE1-CB 4.33Å; Y105-D117 HydrophobicContact CG-CB 4.36Å; Y105-D120 HydrophobicContact CE1-CB 4.14Å; Y105-D120 WeakPolarHBondContact OH-CB 3.25Å; Y105-I121 HydrophobicContact CD2-CD1 3.78Å; Y105-I121 HydrophobicContact CD2-CG1 3.54Å; Y105-I121 HydrophobicContact CE2-CD1 4.37Å; Y105-I121 HydrophobicContact CE2-CG1 3.62Å; Y105-I121 HydrophobicContact CG-CD1 4.06Å; Y105-I121 HydrophobicContact CG-CG1 4.14Å
106D79.2Confident75Confident26 Ų2680.5 Ų80.514%0.13940%0.402CS..  trans-73.367.7170.5-17715.7000111.3F102 E108 G109 N110 G111 I113F102-D106 HydrophobicContact CD1-CB 4.15Å; F102-D106 HydrophobicContact CE1-CB 4.09Å; F102-D106 WeakPolarHBondContact O-CB 3.41Å; F102-D106 PolarHBondContact O-N 3.45Å; D106-E108 PolarHBondContact O-N 3.47Å; D106-E108 PolarHBondContact OD1-N 3.05Å; D106-G109 PolarHBondContact O-N 3.28Å; D106-G109 WeakPolarHBondContact OD1-CA 3.28Å; D106-G109 PolarHBondContact OD1-N 2.64Å; D106-G109 VanDerWaalsContact OD2-CA 3.3Å; D106-G109 WeakPolarHBondContact OD2-CA 3.44Å; D106-N110 PolarHBondContact OD1-N 3.22Å; D106-N110 PolarHBondContact OD1-OD1 3.49Å; D106-N110 PolarHBondContact OD2-N 2.75Å; D106-N110 VanDerWaalsContact OD2-N 3.16Å; D106-N110 PolarHBondContact OD2-OD1 2.88Å; D106-G111 PolarHBondContact OD2-N 2.78Å; D106-I113 HydrophobicContact CB-CG2 3.98Å
107K72.6Confident76Confident190 Ų19076.9 Ų76.983%0.82639%0.387SS*.THydrogen-bonded Turntrans-67.5-22.1176.8-65.6177-175.1166.70112.8Y105Y105-K107 PolarHBondContact O-N 3.44Å
108E75.1Confident76.7Confident179 Ų17972.3 Ų72.384%0.83637%0.365SS*.THydrogen-bonded Turntrans-87-16.1-178.5-62.6-168.59400112D106 N110D106-E108 PolarHBondContact O-N 3.47Å; D106-E108 PolarHBondContact OD1-N 3.05Å; E108-N110 VanDerWaalsContact C-N 3.29Å
109G69.9Low77.4Confident62 Ų6274.6 Ų74.664%0.63937%0.372SS*.  trans67.332.2-178.500000112.2D106 G111D106-G109 PolarHBondContact O-N 3.28Å; D106-G109 WeakPolarHBondContact OD1-CA 3.28Å; D106-G109 PolarHBondContact OD1-N 2.64Å; D106-G109 VanDerWaalsContact OD2-CA 3.3Å; D106-G109 WeakPolarHBondContact OD2-CA 3.44Å; G109-G111 VanDerWaalsContact C-N 3.35Å
110N75.9Confident78.1Confident52 Ų5274 Ų7428%0.27838%0.376SS..  trans-83.6-14.1-176.166.9-0.9000112.3D106 E108 Y112D106-N110 PolarHBondContact OD1-N 3.22Å; D106-N110 PolarHBondContact OD1-OD1 3.49Å; D106-N110 PolarHBondContact OD2-N 2.75Å; D106-N110 VanDerWaalsContact OD2-N 3.16Å; D106-N110 PolarHBondContact OD2-OD1 2.88Å; E108-N110 VanDerWaalsContact C-N 3.29Å; N110-Y112 HydrophobicContact CB-CD1 3.93Å; N110-Y112 HydrophobicContact CB-CE1 3.46Å; N110-Y112 VanDerWaalsContact CB-CE1 3.46Å; N110-Y112 HydrophobicContact CB-CE2 4.43Å; N110-Y112 VanDerWaalsContact ND2-CD2 3.27Å; N110-Y112 WeakPolarHBondContact ND2-CD2 3.37Å; N110-Y112 WeakPolarHBondContact ND2-CE2 3.31Å; N110-Y112 PolarHBondContact ND2-O 3.21Å; N110-Y112 VanDerWaalsContact ND2-O 3.09Å; N110-Y112 VanDerWaalsContact O-CD1 3.32Å; N110-Y112 WeakPolarHBondContact O-CD1 3.14Å; N110-Y112 PolarHBondContact OD1-N 3.09Å; N110-Y112 PolarHBondContact OD1-O 3.17Å
111G76.7Confident78.6Confident27 Ų2768.5 Ų68.528%0.27835%0.35SS..SBendtrans86.5-0.6-177.300000115F102 D106 G109 F151F102-G111 WeakPolarHBondContact CZ-O 3.49Å; D106-G111 PolarHBondContact OD2-N 2.78Å; G109-G111 VanDerWaalsContact C-N 3.35Å; G111-F151 PolarHBondContact O-N 2.81Å
112Y80.2Confident79Confident112 Ų11267.7 Ų67.744%0.43934%0.343SS..EExtended strand (participates in β ladder)trans-136.6134.4-178.458.4-91000112.6N110 T148 V149N110-Y112 HydrophobicContact CB-CD1 3.93Å; N110-Y112 HydrophobicContact CB-CE1 3.46Å; N110-Y112 VanDerWaalsContact CB-CE1 3.46Å; N110-Y112 HydrophobicContact CB-CE2 4.43Å; N110-Y112 VanDerWaalsContact ND2-CD2 3.27Å; N110-Y112 WeakPolarHBondContact ND2-CD2 3.37Å; N110-Y112 WeakPolarHBondContact ND2-CE2 3.31Å; N110-Y112 PolarHBondContact ND2-O 3.21Å; N110-Y112 VanDerWaalsContact ND2-O 3.09Å; N110-Y112 VanDerWaalsContact O-CD1 3.32Å; N110-Y112 WeakPolarHBondContact O-CD1 3.14Å; N110-Y112 PolarHBondContact OD1-N 3.09Å; N110-Y112 PolarHBondContact OD1-O 3.17Å; Y112-T148 HydrophobicContact CD2-CG2 4.03Å; Y112-V149 CarbonylContact C-O 3.48Å; Y112-V149 WeakPolarHBondContact CA-O 3.32Å
113I82.7Confident79.2Confident3 Ų373 Ų732%0.01536%0.363CS..EExtended strand (participates in β ladder)trans-106.2160.7171.568.7-179.6000110.7F102 D106 D117 L118 I121 T148 V149F102-I113 HydrophobicContact CD1-CG2 4.04Å; F102-I113 HydrophobicContact CD2-CB 4.37Å; F102-I113 HydrophobicContact CD2-CD1 3.39Å; F102-I113 HydrophobicContact CD2-CG1 3.72Å; F102-I113 HydrophobicContact CD2-CG2 3.86Å; F102-I113 HydrophobicContact CE1-CG2 3.89Å; F102-I113 HydrophobicContact CE2-CB 4Å; F102-I113 HydrophobicContact CE2-CD1 3.66Å; F102-I113 HydrophobicContact CE2-CG1 3.4Å; F102-I113 VanDerWaalsContact CE2-CG1 3.4Å; F102-I113 HydrophobicContact CE2-CG2 3.74Å; F102-I113 HydrophobicContact CG-CD1 4.26Å; F102-I113 HydrophobicContact CG-CG2 4.02Å; F102-I113 HydrophobicContact CZ-CB 4.28Å; F102-I113 HydrophobicContact CZ-CG1 4.14Å; F102-I113 HydrophobicContact CZ-CG2 3.75Å; D106-I113 HydrophobicContact CB-CG2 3.98Å; I113-D117 HydrophobicContact CB-CB 4.11Å; I113-D117 HydrophobicContact CD1-CB 4.37Å; I113-D117 HydrophobicContact CG1-CB 4.47Å; I113-L118 HydrophobicContact CD1-CB 3.81Å; I113-L118 HydrophobicContact CD1-CD1 4.24Å; I113-L118 HydrophobicContact CG1-CB 4.32Å; I113-I121 HydrophobicContact CD1-CD1 3.48Å; I113-I121 VanDerWaalsContact CD1-CD1 3.48Å; I113-T148 CarbonylContact O-C 3.38Å; I113-T148 VanDerWaalsContact O-CA 3.24Å; I113-T148 WeakPolarHBondContact O-CA 3.25Å; I113-V149 PolarHBondContact N-O 3.18Å; I113-V149 PolarHBondContact O-N 3.47Å
114N84.2Confident79.4Confident84 Ų8469.4 Ų69.445%0.44937%0.368SS..EExtended strand (participates in β ladder)trans-74.2152.4173.5-52.6-73.7000110.1S116 D117 L118N114-S116 PolarHBondContact O-N 2.9Å; N114-S116 VanDerWaalsContact O-N 3.13Å; N114-D117 VanDerWaalsContact CB-OD2 3.27Å; N114-D117 WeakPolarHBondContact CB-OD2 3.34Å; N114-D117 PolarHBondContact N-OD2 3.3Å; N114-D117 PolarHBondContact ND2-OD2 2.73Å; N114-D117 WeakPolarHBondContact O-CA 3.33Å; N114-D117 WeakPolarHBondContact O-CB 3.46Å; N114-D117 PolarHBondContact O-N 3.17Å; N114-L118 PolarHBondContact O-N 3.12Å
115V83.8Confident79.3Confident30 Ų3066.2 Ų66.218%0.18235%0.351CS..Hα-helixtrans-54.5-33173.4-69.70000112.6L118 R119 I138 D142 G147 V149V115-L118 PolarHBondContact O-N 3.07Å; V115-R119 VanDerWaalsContact O-CG 3.3Å; V115-R119 WeakPolarHBondContact O-CG 3.36Å; V115-R119 PolarHBondContact O-N 3.11Å; V115-I138 HydrophobicContact CB-CG2 3.93Å; V115-I138 HydrophobicContact CG1-CG2 3.7Å; V115-D142 HydrophobicContact CG1-CB 4.03Å; V115-G147 PolarHBondContact N-O 3.07Å; V115-V149 HydrophobicContact CG1-CG2 4.13Å
116S83.1Confident79.3Confident76 Ų7665.4 Ų65.453%0.53135%0.352SS..Hα-helixtrans-62.4-42.4173.6-54.90000112.3N114 R119 D120N114-S116 PolarHBondContact O-N 2.9Å; N114-S116 VanDerWaalsContact O-N 3.13Å; S116-R119 WeakPolarHBondContact O-CB 3.35Å; S116-R119 PolarHBondContact O-N 3.12Å; S116-D120 PolarHBondContact O-N 2.91Å
117D83.5Confident79.1Confident43 Ų4372.7 Ų72.723%0.2339%0.385CS..Hα-helixtrans-68-40.2178-60.9-56.4000110.4Y105 I113 N114 R119 D120 I121Y105-D117 HydrophobicContact CD1-CB 3.7Å; Y105-D117 HydrophobicContact CE1-CB 4.33Å; Y105-D117 HydrophobicContact CG-CB 4.36Å; I113-D117 HydrophobicContact CB-CB 4.11Å; I113-D117 HydrophobicContact CD1-CB 4.37Å; I113-D117 HydrophobicContact CG1-CB 4.47Å; N114-D117 VanDerWaalsContact CB-OD2 3.27Å; N114-D117 WeakPolarHBondContact CB-OD2 3.34Å; N114-D117 PolarHBondContact N-OD2 3.3Å; N114-D117 PolarHBondContact ND2-OD2 2.73Å; N114-D117 WeakPolarHBondContact O-CA 3.33Å; N114-D117 WeakPolarHBondContact O-CB 3.46Å; N114-D117 PolarHBondContact O-N 3.17Å; D117-R119 VanDerWaalsContact C-N 3.29Å; D117-R119 PolarHBondContact O-N 3.1Å; D117-D120 WeakPolarHBondContact O-CB 3.36Å; D117-D120 PolarHBondContact O-N 2.98Å; D117-I121 WeakPolarHBondContact O-CG1 3.29Å; D117-I121 PolarHBondContact O-N 2.92Å
118L81.7Confident79.3Confident1 Ų169.8 Ų69.81%0.00538%0.379CS..Hα-helixtrans-61.1-38.4174.8-178.858.5000111.8L98 I113 N114 V115 D120 I121 L122 I138 I141 V149L98-L118 HydrophobicContact CD2-CD1 4.04Å; I113-L118 HydrophobicContact CD1-CB 3.81Å; I113-L118 HydrophobicContact CD1-CD1 4.24Å; I113-L118 HydrophobicContact CG1-CB 4.32Å; N114-L118 PolarHBondContact O-N 3.12Å; V115-L118 PolarHBondContact O-N 3.07Å; L118-D120 VanDerWaalsContact C-N 3.34Å; L118-D120 PolarHBondContact O-N 3.24Å; L118-I121 WeakPolarHBondContact O-CB 3.45Å; L118-I121 PolarHBondContact O-N 3.38Å; L118-L122 HydrophobicContact CD1-CD1 4.4Å; L118-L122 HydrophobicContact CD1-CG 4.21Å; L118-L122 HydrophobicContact CG-CD1 4.11Å; L118-L122 HydrophobicContact CG-CG 4.38Å; L118-L122 WeakPolarHBondContact O-CG 3.19Å; L118-L122 PolarHBondContact O-N 2.85Å; L118-I138 HydrophobicContact CB-CD1 3.95Å; L118-I138 HydrophobicContact CD2-CD1 3.35Å; L118-I138 HydrophobicContact CG-CD1 3.63Å; L118-I141 HydrophobicContact CD2-CD1 3.99Å; L118-I141 HydrophobicContact CD2-CG2 4.38Å; L118-V149 HydrophobicContact CD2-CB 4.1Å; L118-V149 HydrophobicContact CD2-CG1 4.12Å; L118-V149 HydrophobicContact CD2-CG2 3.58Å
119R83.4Confident79.5Confident74 Ų7462.5 Ų62.528%0.27935%0.346SS..Hα-helixtrans-63.3-39.6174.8-71.7174.670.1170.62.9112.4V115 S116 D117 I121 R123 E131 I138V115-R119 VanDerWaalsContact O-CG 3.3Å; V115-R119 WeakPolarHBondContact O-CG 3.36Å; V115-R119 PolarHBondContact O-N 3.11Å; S116-R119 WeakPolarHBondContact O-CB 3.35Å; S116-R119 PolarHBondContact O-N 3.12Å; D117-R119 VanDerWaalsContact C-N 3.29Å; D117-R119 PolarHBondContact O-N 3.1Å; R119-I121 VanDerWaalsContact C-N 3.34Å; R119-R123 WeakPolarHBondContact O-CB 3.45Å; R119-R123 WeakPolarHBondContact O-CG 3.21Å; R119-R123 PolarHBondContact O-N 3.41Å; R119-E131 IonicContact CZ-OE1 2.75Å; R119-E131 IonicContact NH2-OE1 3.02Å; R119-E131 PolarHBondContact NH2-OE1 3.02Å; R119-E131 IonicContact NH2-OE2 3.72Å; R119-E131 PolarHBondContact NH2-OE2 3.38Å; R119-I138 HydrophobicContact CG-CD1 4.1Å; R119-I138 HydrophobicContact CG-CG1 3.95Å
120D83.5Confident80.1Confident84 Ų8462.9 Ų62.945%0.44934%0.335SS..Hα-helixtrans-65.1-39174.3-75.6-55.3000111.4Y105 S116 D117 L118 A124Y105-D120 HydrophobicContact CE1-CB 4.14Å; Y105-D120 WeakPolarHBondContact OH-CB 3.25Å; S116-D120 PolarHBondContact O-N 2.91Å; D117-D120 WeakPolarHBondContact O-CB 3.36Å; D117-D120 PolarHBondContact O-N 2.98Å; L118-D120 VanDerWaalsContact C-N 3.34Å; L118-D120 PolarHBondContact O-N 3.24Å; D120-A124 WeakPolarHBondContact O-CB 3.49Å; D120-A124 PolarHBondContact O-N 3.36Å
121I81.3Confident80.4Confident1 Ų164.7 Ų64.71%0.00534%0.342CS..Hα-helixtrans-63.2-51.5174.9-65.9170.4000111L98 A101 Y105 I113 D117 L118 R119 R123 A124 L125L98-I121 HydrophobicContact CG-CG2 4.15Å; A101-I121 HydrophobicContact CB-CB 4.28Å; A101-I121 HydrophobicContact CB-CD1 4.09Å; A101-I121 HydrophobicContact CB-CG1 3.93Å; A101-I121 HydrophobicContact CB-CG2 3.45Å; A101-I121 VanDerWaalsContact CB-CG2 3.45Å; Y105-I121 HydrophobicContact CD2-CD1 3.78Å; Y105-I121 HydrophobicContact CD2-CG1 3.54Å; Y105-I121 HydrophobicContact CE2-CD1 4.37Å; Y105-I121 HydrophobicContact CE2-CG1 3.62Å; Y105-I121 HydrophobicContact CG-CD1 4.06Å; Y105-I121 HydrophobicContact CG-CG1 4.14Å; I113-I121 HydrophobicContact CD1-CD1 3.48Å; I113-I121 VanDerWaalsContact CD1-CD1 3.48Å; D117-I121 WeakPolarHBondContact O-CG1 3.29Å; D117-I121 PolarHBondContact O-N 2.92Å; L118-I121 WeakPolarHBondContact O-CB 3.45Å; L118-I121 PolarHBondContact O-N 3.38Å; R119-I121 VanDerWaalsContact C-N 3.34Å; I121-R123 VanDerWaalsContact C-N 3.3Å; I121-R123 PolarHBondContact O-N 3.42Å; I121-A124 WeakPolarHBondContact O-CA 3.24Å; I121-A124 WeakPolarHBondContact O-CB 3.4Å; I121-A124 PolarHBondContact O-N 3.46Å; I121-L125 HydrophobicContact CG2-CD1 3.99Å; I121-L125 HydrophobicContact CG2-CG 4.42Å; I121-L125 WeakPolarHBondContact O-CG 3.35Å; I121-L125 PolarHBondContact O-N 3.4Å
122L81.3Confident80.6Confident3 Ų370 Ų702%0.01636%0.364CS..Hα-helixtrans-59.9-40.9-178.6-72.4172.2000111.6L98 L118 A124 L125 D126 L134 M137 I138L98-L122 HydrophobicContact CD1-CD2 3.87Å; L118-L122 HydrophobicContact CD1-CD1 4.4Å; L118-L122 HydrophobicContact CD1-CG 4.21Å; L118-L122 HydrophobicContact CG-CD1 4.11Å; L118-L122 HydrophobicContact CG-CG 4.38Å; L118-L122 WeakPolarHBondContact O-CG 3.19Å; L118-L122 PolarHBondContact O-N 2.85Å; L122-A124 VanDerWaalsContact C-N 3.31Å; L122-A124 PolarHBondContact O-N 2.89Å; L122-L125 PolarHBondContact O-N 2.95Å; L122-D126 PolarHBondContact O-N 3.01Å; L122-L134 HydrophobicContact CB-CD2 3.44Å; L122-L134 VanDerWaalsContact CB-CD2 3.44Å; L122-L134 HydrophobicContact CD1-CD2 3.65Å; L122-L134 HydrophobicContact CG-CD2 4.2Å; L122-M137 HydrophobicContact CD1-CB 4.48Å; L122-M137 HydrophobicContact CD1-CE 4.35Å; L122-M137 HydrophobicContact CD1-SD 4.35Å; L122-M137 HydrophobicContact CD2-CE 3.84Å; L122-I138 HydrophobicContact CD1-CD1 4.43Å
123R79.1Confident80.6Confident119 Ų11969.6 Ų69.645%0.44937%0.366SS..Hα-helixtrans-67.1-29173.2-76.7-179.6178-123.614.8114.2R119 I121 D126 I129 E131 L134R119-R123 WeakPolarHBondContact O-CB 3.45Å; R119-R123 WeakPolarHBondContact O-CG 3.21Å; R119-R123 PolarHBondContact O-N 3.41Å; I121-R123 VanDerWaalsContact C-N 3.3Å; I121-R123 PolarHBondContact O-N 3.42Å; R123-D126 CarbonylContact C-O 3.54Å; R123-D126 WeakPolarHBondContact CA-O 3.21Å; R123-D126 CarbonylContact O-C 3.6Å; R123-I129 HydrophobicContact CG-CG2 4.12Å; R123-E131 IonicContact CZ-OE1 2.71Å; R123-E131 IonicContact NE-OE1 2.78Å; R123-E131 IonicContact NH2-OE1 3.87Å; R123-E131 PolarHBondContact NH2-OE1 2.82Å; R123-E131 IonicContact NH2-OE2 3.36Å; R123-L134 HydrophobicContact CG-CD1 3.86Å
124A77.2Confident80.6Confident84 Ų8469.4 Ų69.469%0.69437%0.366SS*.Hα-helixtrans-75.5-30.5177.200000111.7D120 I121 L122D120-A124 WeakPolarHBondContact O-CB 3.49Å; D120-A124 PolarHBondContact O-N 3.36Å; I121-A124 WeakPolarHBondContact O-CA 3.24Å; I121-A124 WeakPolarHBondContact O-CB 3.4Å; I121-A124 PolarHBondContact O-N 3.46Å; L122-A124 VanDerWaalsContact C-N 3.31Å; L122-A124 PolarHBondContact O-N 2.89Å
125L75.1Confident80.5Confident55 Ų5570.3 Ų70.329%0.28837%0.37SS..Hα-helixtrans-80.4-42175.1-64.3175.3000111.8M94 E97 L98 I121 L122M94-L125 HydrophobicContact CG-CD1 4.37Å; E97-L125 HydrophobicContact CB-CD2 3.79Å; L98-L125 HydrophobicContact CB-CD1 4.2Å; L98-L125 HydrophobicContact CD1-CD1 4.07Å; L98-L125 HydrophobicContact CG-CD1 4.23Å; I121-L125 HydrophobicContact CG2-CD1 3.99Å; I121-L125 HydrophobicContact CG2-CG 4.42Å; I121-L125 WeakPolarHBondContact O-CG 3.35Å; I121-L125 PolarHBondContact O-N 3.4Å; L122-L125 PolarHBondContact O-N 2.95Å
126D75.3Confident80.4Confident69 Ų6975.8 Ų75.837%0.36939%0.394SS..  trans-131109.6177.9-167.7-55000110.6L122 R123 N128 I129L122-D126 PolarHBondContact O-N 3.01Å; R123-D126 CarbonylContact C-O 3.54Å; R123-D126 WeakPolarHBondContact CA-O 3.21Å; R123-D126 CarbonylContact O-C 3.6Å; D126-N128 VanDerWaalsContact C-N 3.28Å; D126-N128 PolarHBondContact O-N 3.46Å; D126-N128 WeakPolarHBondContact OD1-CA 3.35Å; D126-N128 WeakPolarHBondContact OD1-CB 3.45Å; D126-N128 PolarHBondContact OD1-N 2.84Å; D126-I129 HydrophobicContact CB-CB 4.41Å; D126-I129 VanDerWaalsContact O-CG2 3.25Å; D126-I129 WeakPolarHBondContact O-CG2 3.23Å; D126-I129 PolarHBondContact OD1-N 3.47Å
127E75.4Confident80.3Confident178 Ų17875.4 Ų75.483%0.83238%0.384SS*.THydrogen-bonded Turntrans-76.5-13.2-179.564.317994.200113.9
128N77.8Confident80.1Confident130 Ų13074.1 Ų74.170%0.69538%0.378SS*.THydrogen-bonded Turntrans-92.7-11.9-178.6-63.2-57.5000112.9D126 T130D126-N128 VanDerWaalsContact C-N 3.28Å; D126-N128 PolarHBondContact O-N 3.46Å; D126-N128 WeakPolarHBondContact OD1-CA 3.35Å; D126-N128 WeakPolarHBondContact OD1-CB 3.45Å; D126-N128 PolarHBondContact OD1-N 2.84Å; N128-T130 PolarHBondContact O-N 2.81Å
129I78.7Confident79.9Confident26 Ų2676.8 Ų76.813%0.13340%0.399CS..  trans-59.3126.6179.7-161169000111.5R123 D126 E133 L134 M137R123-I129 HydrophobicContact CG-CG2 4.12Å; D126-I129 HydrophobicContact CB-CB 4.41Å; D126-I129 VanDerWaalsContact O-CG2 3.25Å; D126-I129 WeakPolarHBondContact O-CG2 3.23Å; D126-I129 PolarHBondContact OD1-N 3.47Å; I129-E133 HydrophobicContact CD1-CB 4.38Å; I129-E133 HydrophobicContact CG1-CB 3.79Å; I129-L134 HydrophobicContact CD1-CD2 3.69Å; I129-L134 HydrophobicContact CD1-CG 4Å; I129-L134 HydrophobicContact CG1-CD2 4.23Å; I129-L134 HydrophobicContact CG1-CG 4.03Å; I129-L134 HydrophobicContact CG2-CD1 4.09Å; I129-L134 HydrophobicContact CG2-CD2 3.88Å; I129-L134 HydrophobicContact CG2-CG 3.88Å; I129-M137 HydrophobicContact CD1-SD 3.49Å; I129-M137 WeakPolarHBondContact CD1-SD 3.5Å
130T82Confident79.6Confident69 Ų6980.4 Ų80.442%0.42342%0.42SS..  trans-80.2160.6-179.3610000111.9N128 D132 E133 L134N128-T130 PolarHBondContact O-N 2.81Å; T130-D132 PolarHBondContact O-N 2.84Å; T130-E133 PolarHBondContact N-OE2 3.34Å; T130-E133 PolarHBondContact O-N 3.4Å; T130-E133 WeakPolarHBondContact OG1-CG 3.36Å; T130-E133 PolarHBondContact OG1-N 2.8Å; T130-E133 PolarHBondContact OG1-OE2 3.37Å; T130-L134 WeakPolarHBondContact O-CG 3.15Å; T130-L134 PolarHBondContact O-N 2.92Å
131E81.9Confident79.1Confident90 Ų9080.2 Ų80.242%0.42142%0.418SS..Hα-helixtrans-60.4-35.2175.6-72.1-78.283.200112.4R119 R123 D135R119-E131 IonicContact CZ-OE1 2.75Å; R119-E131 IonicContact NH2-OE1 3.02Å; R119-E131 PolarHBondContact NH2-OE1 3.02Å; R119-E131 IonicContact NH2-OE2 3.72Å; R119-E131 PolarHBondContact NH2-OE2 3.38Å; R123-E131 IonicContact CZ-OE1 2.71Å; R123-E131 IonicContact NE-OE1 2.78Å; R123-E131 IonicContact NH2-OE1 3.87Å; R123-E131 PolarHBondContact NH2-OE1 2.82Å; R123-E131 IonicContact NH2-OE2 3.36Å; E131-D135 WeakPolarHBondContact O-CB 3.17Å; E131-D135 PolarHBondContact O-N 3.5Å
132D82.7Confident78.9Confident139 Ų13981.2 Ų81.274%0.74342%0.423SS*.Hα-helixtrans-67.2-42.7176.2-75.4-94.8000111.8T130 D135 E136T130-D132 PolarHBondContact O-N 2.84Å; D132-D135 PolarHBondContact O-N 2.84Å; D132-E136 PolarHBondContact O-N 3Å
133E80Confident78.6Confident103 Ų10386.7 Ų86.748%0.48146%0.457SS..Hα-helixtrans-67-39.9176-74.8173.6124.900112.2I129 T130 D135 E136 M137I129-E133 HydrophobicContact CD1-CB 4.38Å; I129-E133 HydrophobicContact CG1-CB 3.79Å; T130-E133 PolarHBondContact N-OE2 3.34Å; T130-E133 PolarHBondContact O-N 3.4Å; T130-E133 WeakPolarHBondContact OG1-CG 3.36Å; T130-E133 PolarHBondContact OG1-N 2.8Å; T130-E133 PolarHBondContact OG1-OE2 3.37Å; E133-D135 VanDerWaalsContact C-N 3.34Å; E133-D135 PolarHBondContact O-N 3.38Å; E133-E136 PolarHBondContact O-N 3.18Å; E133-M137 WeakPolarHBondContact O-CG 3.3Å; E133-M137 PolarHBondContact O-N 3.22Å
134L81.8Confident78.6Confident0 Ų087 Ų870%047%0.467CS..Hα-helixtrans-58.7-46.5171.9-75.5170000111L122 R123 I129 T130 E136 M137 I138L122-L134 HydrophobicContact CB-CD2 3.44Å; L122-L134 VanDerWaalsContact CB-CD2 3.44Å; L122-L134 HydrophobicContact CD1-CD2 3.65Å; L122-L134 HydrophobicContact CG-CD2 4.2Å; R123-L134 HydrophobicContact CG-CD1 3.86Å; I129-L134 HydrophobicContact CD1-CD2 3.69Å; I129-L134 HydrophobicContact CD1-CG 4Å; I129-L134 HydrophobicContact CG1-CD2 4.23Å; I129-L134 HydrophobicContact CG1-CG 4.03Å; I129-L134 HydrophobicContact CG2-CD1 4.09Å; I129-L134 HydrophobicContact CG2-CD2 3.88Å; I129-L134 HydrophobicContact CG2-CG 3.88Å; T130-L134 WeakPolarHBondContact O-CG 3.15Å; T130-L134 PolarHBondContact O-N 2.92Å; L134-E136 VanDerWaalsContact C-N 3.32Å; L134-E136 PolarHBondContact O-N 2.79Å; L134-M137 PolarHBondContact O-N 2.92Å; L134-I138 WeakPolarHBondContact O-CB 3.31Å; L134-I138 WeakPolarHBondContact O-CG1 3.47Å; L134-I138 PolarHBondContact O-N 2.88Å
135D82.6Confident78.5Confident103 Ų10385.8 Ų85.855%0.55146%0.463SS*.Hα-helixtrans-63.5-39.1-179.7-149.8-100.9000111.5E131 D132 E133 I138 A139E131-D135 WeakPolarHBondContact O-CB 3.17Å; E131-D135 PolarHBondContact O-N 3.5Å; D132-D135 PolarHBondContact O-N 2.84Å; E133-D135 VanDerWaalsContact C-N 3.34Å; E133-D135 PolarHBondContact O-N 3.38Å; D135-I138 PolarHBondContact O-N 3.45Å; D135-A139 VanDerWaalsContact O-CB 3.25Å; D135-A139 WeakPolarHBondContact O-CB 3.21Å; D135-A139 PolarHBondContact O-N 3.1Å
136E81.6Confident78.8Confident144 Ų14485.8 Ų85.867%0.67347%0.467SS*.Hα-helixtrans-63.3-48.7174.6-167.7177.7100.300111.8D132 E133 L134 I138 A139 E140D132-E136 PolarHBondContact O-N 3Å; E133-E136 PolarHBondContact O-N 3.18Å; L134-E136 VanDerWaalsContact C-N 3.32Å; L134-E136 PolarHBondContact O-N 2.79Å; E136-I138 VanDerWaalsContact C-N 3.35Å; E136-I138 PolarHBondContact O-N 3.25Å; E136-A139 PolarHBondContact O-N 3.04Å; E136-E140 WeakPolarHBondContact O-CG 3.49Å; E136-E140 PolarHBondContact O-N 3.5Å
137M79.7Confident79.1Confident68 Ų6883.6 Ų83.634%0.33546%0.462SS..Hα-helixtrans-61.2-43.7176.9-70.5-178.678.100111.7L122 I129 E133 L134 E140 I141L122-M137 HydrophobicContact CD1-CB 4.48Å; L122-M137 HydrophobicContact CD1-CE 4.35Å; L122-M137 HydrophobicContact CD1-SD 4.35Å; L122-M137 HydrophobicContact CD2-CE 3.84Å; I129-M137 HydrophobicContact CD1-SD 3.49Å; I129-M137 WeakPolarHBondContact CD1-SD 3.5Å; E133-M137 WeakPolarHBondContact O-CG 3.3Å; E133-M137 PolarHBondContact O-N 3.22Å; L134-M137 PolarHBondContact O-N 2.92Å; M137-E140 PolarHBondContact O-N 3.3Å; M137-I141 WeakPolarHBondContact O-CD1 3.45Å; M137-I141 WeakPolarHBondContact O-CG1 3.25Å; M137-I141 PolarHBondContact O-N 3.08Å; M137-I141 VanDerWaalsContact O-N 3.11Å
138I79.4Confident79.4Confident17 Ų1777.1 Ų77.19%0.08743%0.434CS..Hα-helixtrans-65.6-41.1178.4-66-64.1000110.8V115 L118 R119 L122 L134 D135 E136 E140 I141 D142V115-I138 HydrophobicContact CB-CG2 3.93Å; V115-I138 HydrophobicContact CG1-CG2 3.7Å; L118-I138 HydrophobicContact CB-CD1 3.95Å; L118-I138 HydrophobicContact CD2-CD1 3.35Å; L118-I138 HydrophobicContact CG-CD1 3.63Å; R119-I138 HydrophobicContact CG-CD1 4.1Å; R119-I138 HydrophobicContact CG-CG1 3.95Å; L122-I138 HydrophobicContact CD1-CD1 4.43Å; L134-I138 WeakPolarHBondContact O-CB 3.31Å; L134-I138 WeakPolarHBondContact O-CG1 3.47Å; L134-I138 PolarHBondContact O-N 2.88Å; D135-I138 PolarHBondContact O-N 3.45Å; E136-I138 VanDerWaalsContact C-N 3.35Å; E136-I138 PolarHBondContact O-N 3.25Å; I138-E140 VanDerWaalsContact C-N 3.3Å; I138-E140 PolarHBondContact O-N 3.48Å; I138-I141 PolarHBondContact O-N 3.3Å; I138-D142 HydrophobicContact CG2-CB 4.49Å; I138-D142 WeakPolarHBondContact O-CB 3.46Å; I138-D142 PolarHBondContact O-N 3.01Å
139A77.6Confident79.3Confident56 Ų5671.5 Ų71.546%0.46340%0.404SS..Hα-helixtrans-64.6-35178.200000112.6D135 E136 I141D135-A139 VanDerWaalsContact O-CB 3.25Å; D135-A139 WeakPolarHBondContact O-CB 3.21Å; D135-A139 PolarHBondContact O-N 3.1Å; E136-A139 PolarHBondContact O-N 3.04Å; A139-I141 VanDerWaalsContact C-N 3.34Å
140E76.7Confident79Confident151 Ų15174 Ų7471%0.70642%0.418SS*.Hα-helixtrans-70.5-29.9174.4-71.5-69.3103.700112.4E136 M137 I138 T143E136-E140 WeakPolarHBondContact O-CG 3.49Å; E136-E140 PolarHBondContact O-N 3.5Å; M137-E140 PolarHBondContact O-N 3.3Å; I138-E140 VanDerWaalsContact C-N 3.3Å; I138-E140 PolarHBondContact O-N 3.48Å; E140-T143 WeakPolarHBondContact O-CG2 3.16Å
141I73.4Confident78.2Confident79 Ų7973.4 Ų73.441%0.40541%0.41SS..Hα-helixtrans-87.6-48.2-179-63.9165.9000111.4L118 M137 I138 A139 T143 V149L118-I141 HydrophobicContact CD2-CD1 3.99Å; L118-I141 HydrophobicContact CD2-CG2 4.38Å; M137-I141 WeakPolarHBondContact O-CD1 3.45Å; M137-I141 WeakPolarHBondContact O-CG1 3.25Å; M137-I141 PolarHBondContact O-N 3.08Å; M137-I141 VanDerWaalsContact O-N 3.11Å; I138-I141 PolarHBondContact O-N 3.3Å; A139-I141 VanDerWaalsContact C-N 3.34Å; I141-T143 VanDerWaalsContact C-N 3.29Å; I141-T143 PolarHBondContact O-N 3.31Å; I141-V149 HydrophobicContact CG2-CB 4.07Å; I141-V149 HydrophobicContact CG2-CG1 3.32Å; I141-V149 HydrophobicContact CG2-CG2 3.6Å
142D78.6Confident77.1Confident23 Ų2376 Ų7612%0.12343%0.426CS..  trans-89.356.4178.2-173.328.4000111.3V115 I138 D144 G145 S146 G147V115-D142 HydrophobicContact CG1-CB 4.03Å; I138-D142 HydrophobicContact CG2-CB 4.49Å; I138-D142 WeakPolarHBondContact O-CB 3.46Å; I138-D142 PolarHBondContact O-N 3.01Å; D142-D144 PolarHBondContact O-N 2.96Å; D142-G145 PolarHBondContact O-N 3.04Å; D142-G145 WeakPolarHBondContact OD1-CA 3.49Å; D142-G145 PolarHBondContact OD1-N 3.24Å; D142-G145 WeakPolarHBondContact OD2-CA 3.32Å; D142-S146 PolarHBondContact OD1-N 2.81Å; D142-S146 PolarHBondContact OD1-OG 3.02Å; D142-S146 PolarHBondContact OD2-N 3.38Å; D142-G147 PolarHBondContact OD1-N 3.25Å; D142-G147 VanDerWaalsContact OD2-CA 3.31Å; D142-G147 WeakPolarHBondContact OD2-CA 3.06Å; D142-G147 PolarHBondContact OD2-N 2.71Å
143T73.7Confident75.3Confident118 Ų11871.9 Ų71.972%0.72442%0.417SS*.THydrogen-bonded Turntrans-63-22.8-17760.30000113.9E140 I141E140-T143 WeakPolarHBondContact O-CG2 3.16Å; I141-T143 VanDerWaalsContact C-N 3.29Å; I141-T143 PolarHBondContact O-N 3.31Å
144D78.5Confident73.6Confident125 Ų12574.4 Ų74.467%0.66843%0.429SS*.THydrogen-bonded Turntrans-91.8-5.4176.778.2-66.2000113.4D142 S146D142-D144 PolarHBondContact O-N 2.96Å; D144-S146 PolarHBondContact O-N 3.24Å; D144-S146 VanDerWaalsContact OD2-CB 3.32Å; D144-S146 WeakPolarHBondContact OD2-CB 3.31Å
145G76.9Confident71.4Confident58 Ų5880.7 Ų80.760%0.59846%0.462SS*.  trans63.931179.800000112.6D142 G147D142-G145 PolarHBondContact O-N 3.04Å; D142-G145 WeakPolarHBondContact OD1-CA 3.49Å; D142-G145 PolarHBondContact OD1-N 3.24Å; D142-G145 WeakPolarHBondContact OD2-CA 3.32Å; G145-G147 PolarHBondContact O-N 2.88Å
146S81.2Confident69.1Low55 Ų5584 Ų8439%0.38547%0.472SS..  trans-65.4-23.2176.165.20000111.9D142 D144 T148D142-S146 PolarHBondContact OD1-N 2.81Å; D142-S146 PolarHBondContact OD1-OG 3.02Å; D142-S146 PolarHBondContact OD2-N 3.38Å; D144-S146 PolarHBondContact O-N 3.24Å; D144-S146 VanDerWaalsContact OD2-CB 3.32Å; D144-S146 WeakPolarHBondContact OD2-CB 3.31Å; S146-T148 WeakPolarHBondContact CB-OG1 3.23Å; S146-T148 PolarHBondContact OG-N 3.17Å; S146-T148 PolarHBondContact OG-O 2.87Å; S146-T148 PolarHBondContact OG-OG1 2.83Å
147G81.7Confident67.1Low24 Ų2488.2 Ų88.225%0.24750%0.496CS..SBendtrans73.511.3-168.300000112.7V115 D142 G145V115-G147 PolarHBondContact N-O 3.07Å; D142-G147 PolarHBondContact OD1-N 3.25Å; D142-G147 VanDerWaalsContact OD2-CA 3.31Å; D142-G147 WeakPolarHBondContact OD2-CA 3.06Å; D142-G147 PolarHBondContact OD2-N 2.71Å; G145-G147 PolarHBondContact O-N 2.88Å
148T81Confident66.5Low41 Ų4189.2 Ų89.225%0.25250%0.504SS..EExtended strand (participates in β ladder)trans-133.3144.4179.3520000110.7Y112 I113 S146Y112-T148 HydrophobicContact CD2-CG2 4.03Å; I113-T148 CarbonylContact O-C 3.38Å; I113-T148 VanDerWaalsContact O-CA 3.24Å; I113-T148 WeakPolarHBondContact O-CA 3.25Å; S146-T148 WeakPolarHBondContact CB-OG1 3.23Å; S146-T148 PolarHBondContact OG-N 3.17Å; S146-T148 PolarHBondContact OG-O 2.87Å; S146-T148 PolarHBondContact OG-OG1 2.83Å
149V75.8Confident65.8Low12 Ų1293 Ų937%0.07353%0.526CS..EExtended strand (participates in β ladder)trans-114.6121.2178.6175.50000109.1F102 Y112 I113 V115 L118 I141F102-V149 WeakPolarHBondContact CE2-O 3.49Å; F102-V149 WeakPolarHBondContact CZ-O 3.5Å; Y112-V149 CarbonylContact C-O 3.48Å; Y112-V149 WeakPolarHBondContact CA-O 3.32Å; I113-V149 PolarHBondContact N-O 3.18Å; I113-V149 PolarHBondContact O-N 3.47Å; V115-V149 HydrophobicContact CG1-CG2 4.13Å; L118-V149 HydrophobicContact CD2-CB 4.1Å; L118-V149 HydrophobicContact CD2-CG1 4.12Å; L118-V149 HydrophobicContact CD2-CG2 3.58Å; I141-V149 HydrophobicContact CG2-CB 4.07Å; I141-V149 HydrophobicContact CG2-CG1 3.32Å; I141-V149 HydrophobicContact CG2-CG2 3.6Å
150D72.8Confident65.1Low80 Ų8095.1 Ų95.143%0.42853%0.53SS..EExtended strand (participates in β ladder)trans-91.6125.5173.6-177.4-88.3000110D152 G153D150-D152 WeakPolarHBondContact OD1-CA 3.44Å; D150-D152 WeakPolarHBondContact OD1-CB 2.96Å; D150-D152 PolarHBondContact OD1-N 3.49Å; D150-G153 PolarHBondContact OD1-N 3.04Å
151F65.1Low64.4Low56 Ų5691.8 Ų91.825%0.24652%0.519CS..SBendtrans-87.7-14.9-178.1-157.5-83.4000113.1E95 L98 R99 F102 G111E95-F151 HydrophobicContact CG-CE1 4.38Å; E95-F151 HydrophobicContact CG-CZ 3.89Å; L98-F151 HydrophobicContact CD2-CD2 4.16Å; L98-F151 HydrophobicContact CD2-CE2 3.56Å; R99-F151 HydrophobicContact CB-CE1 4.3Å; R99-F151 HydrophobicContact CB-CZ 4.3Å; R99-F151 HydrophobicContact CG-CD1 3.76Å; R99-F151 HydrophobicContact CG-CE1 3.02Å; R99-F151 HydrophobicContact CG-CE2 4.31Å; R99-F151 HydrophobicContact CG-CZ 3.33Å; F102-F151 HydrophobicContact CB-CD2 4.42Å; F102-F151 HydrophobicContact CD1-CB 4.09Å; F102-F151 HydrophobicContact CD2-CB 3.96Å; F102-F151 AromaticContact CD2-CD2 3.79Å; F102-F151 HydrophobicContact CD2-CD2 3.79Å; F102-F151 HydrophobicContact CD2-CG 4.21Å; F102-F151 HydrophobicContact CE1-CB 3.82Å; F102-F151 HydrophobicContact CE2-CB 3.66Å; F102-F151 HydrophobicContact CE2-CD2 4.18Å; F102-F151 HydrophobicContact CE2-CG 4.36Å; F102-F151 HydrophobicContact CG-CB 4.15Å; F102-F151 HydrophobicContact CG-CD2 4.14Å; F102-F151 HydrophobicContact CG-CG 4.3Å; F102-F151 HydrophobicContact CZ-CB 3.57Å; G111-F151 PolarHBondContact O-N 2.81Å
152D58.6Low63.9Low143 Ų14392.6 Ų92.677%0.76553%0.526SS*.SBendtrans-75.8-20176.2-163.5-110.8000111.7D150 Q154D150-D152 WeakPolarHBondContact OD1-CA 3.44Å; D150-D152 WeakPolarHBondContact OD1-CB 2.96Å; D150-D152 PolarHBondContact OD1-N 3.49Å; D152-Q154 VanDerWaalsContact C-N 3.25Å; D152-Q154 PolarHBondContact O-N 3Å
153G45.1Very low62.9Low54 Ų5497.2 Ų97.256%0.55755%0.553SS**SBendtrans-64.377.8170.500000112.7D150 L155D150-G153 PolarHBondContact OD1-N 3.04Å; G153-L155 PolarHBondContact O-N 3.38Å; G153-L155 VanDerWaalsContact O-N 3.07Å
154Q43.3Very low62.1Low156 Ų15695.7 Ų95.773%0.72954%0.541SS*.  trans-18.6107.8167.3-68.3176.612.600112.6D152 K156D152-Q154 VanDerWaalsContact C-N 3.25Å; D152-Q154 PolarHBondContact O-N 3Å; Q154-K156 VanDerWaalsContact C-N 3.28Å; Q154-K156 HydrophobicContact CB-CG 4.41Å; Q154-K156 PolarHBondContact O-N 3.41Å
155L36.8Very low60.9Low132 Ų13293.5 Ų93.569%0.69153%0.531SS*.  trans-55.9100.2158.6-16873.5000106.4G153 I157G153-L155 PolarHBondContact O-N 3.38Å; G153-L155 VanDerWaalsContact O-N 3.07Å; L155-I157 PolarHBondContact O-N 3.38Å
156K33.5Very low59.5Low173 Ų17396.4 Ų96.475%0.75253%0.526SS*.  trans-82.2108.8174.4-73.8-173.5-179.6177.20106.9Q154Q154-K156 VanDerWaalsContact C-N 3.28Å; Q154-K156 HydrophobicContact CB-CG 4.41Å; Q154-K156 PolarHBondContact O-N 3.41Å
157I39.2Very low57.5Low231 Ų231100.2 Ų100.2100%1.18554%0.538SS*.  trans-52.80164.4-48.1-176.8000109.9L155L155-I157 PolarHBondContact O-N 3.38Å

Retrieved 157 of 157 residues in 194.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).