A0A096MHG9_POEFO Loading...

Mesenteric estrogen dependent adipogenesis

AlphaFold DB , UniProt , Accession A0A096MHG9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 267 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low59Low210 Ų21067.7 Ų67.7100%1.03439%0.389SS*.  0114.30-74.8176.9-172.900107.4I3M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 HydrophobicContact CB-CG1 4.35Å; M1-I3 PolarHBondContact O-N 3.33Å
2T31.3Very low61.4Low129 Ų12963.1 Ų63.179%0.79136%0.363SS*.  trans-90.479.8173.11.40000107.4N4T2-N4 PolarHBondContact O-N 3.07Å
3I46.5Very low63.6Low102 Ų10261.2 Ų61.252%0.52335%0.353SS..  trans-78.797.9167.4-54.8176.9000105.4M1 T5 T11M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 HydrophobicContact CB-CG1 4.35Å; M1-I3 PolarHBondContact O-N 3.33Å; I3-T5 VanDerWaalsContact C-N 3.33Å; I3-T5 WeakPolarHBondContact CG2-OG1 3.28Å; I3-T5 PolarHBondContact O-N 2.85Å; I3-T5 PolarHBondContact O-OG1 2.79Å; I3-T11 HydrophobicContact CG2-CG2 3.75Å
4N54.3Low65.5Low49 Ų4961.4 Ų61.426%0.26235%0.349SS..  trans-67.492.1176.9-76-2.7000108.6T2 L164T2-N4 PolarHBondContact O-N 3.07Å; N4-L164 HydrophobicContact CB-CB 3.83Å; N4-L164 HydrophobicContact CB-CD1 4.1Å; N4-L164 HydrophobicContact CB-CD2 3.5Å; N4-L164 VanDerWaalsContact CB-CD2 3.5Å; N4-L164 HydrophobicContact CB-CG 3.97Å; N4-L164 VanDerWaalsContact CG-CD2 3.48Å; N4-L164 WeakPolarHBondContact ND2-CA 3.35Å; N4-L164 PolarHBondContact ND2-O 2.88Å
5T53.8Low67.2Low82 Ų8257.5 Ų57.550%0.50333%0.327SS..BIsolated β-bridgetrans-109121.7-171.9-49.40000109.3I3 T11I3-T5 VanDerWaalsContact C-N 3.33Å; I3-T5 WeakPolarHBondContact CG2-OG1 3.28Å; I3-T5 PolarHBondContact O-N 2.85Å; I3-T5 PolarHBondContact O-OG1 2.79Å; T5-T11 HydrophobicContact CG2-CG2 3.82Å
6L61.5Low68.5Low4 Ų455.4 Ų55.42%0.02132%0.322CS..  trans-72.9155.1168.8-113.267.8000111N8 G9 T10 L159 E162 L164 Q208L6-N8 HydrophobicContact CB-CB 4.38Å; L6-N8 PolarHBondContact O-N 2.85Å; L6-G9 PolarHBondContact O-N 3.26Å; L6-T10 PolarHBondContact N-O 2.86Å; L6-L159 HydrophobicContact CD1-CD2 3.41Å; L6-L159 VanDerWaalsContact CD1-CD2 3.41Å; L6-L159 HydrophobicContact CD2-CD2 4.19Å; L6-L159 HydrophobicContact CG-CD2 4.29Å; L6-E162 WeakPolarHBondContact CD1-OE2 3.25Å; L6-L164 HydrophobicContact CD1-CD1 3.33Å; L6-Q208 VanDerWaalsContact CD2-CD 3.44Å
7P57.3Low69.8Low118 Ų11858.2 Ų58.277%0.76633%0.331SS*.THydrogen-bonded Turntrans-51.5-21.9172.2-22.732000113.7G9P7-G9 VanDerWaalsContact C-N 3.27Å; P7-G9 PolarHBondContact O-N 3.28Å
8N64.3Low71Confident13 Ų1355.1 Ų55.17%0.0731%0.313CS..THydrogen-bonded Turntrans-83.2-3.1-172.7-36.437.5000112L6 T10 N123 Q208L6-N8 HydrophobicContact CB-CB 4.38Å; L6-N8 PolarHBondContact O-N 2.85Å; N8-T10 VanDerWaalsContact C-N 3.35Å; N8-N123 PolarHBondContact O-ND2 3.01Å; N8-Q208 WeakPolarHBondContact ND2-CG 3.01Å; N8-Q208 PolarHBondContact ND2-NE2 3.18Å
9G74.6Confident72.1Confident18 Ų1852.9 Ų52.919%0.18630%0.301CS..SBendtrans76.222.1-176.500000113.7L6 P7 N120L6-G9 PolarHBondContact O-N 3.26Å; P7-G9 VanDerWaalsContact C-N 3.27Å; P7-G9 PolarHBondContact O-N 3.28Å; G9-N120 VanDerWaalsContact O-CB 3.25Å; G9-N120 WeakPolarHBondContact O-CB 3.46Å; G9-N120 PolarHBondContact O-N 3.06Å; G9-N120 VanDerWaalsContact O-N 3.08Å
10T83.1Confident73Confident0 Ų058.8 Ų58.80%032%0.323CS..EExtended strand (participates in β ladder)trans-100.8137.9173.9-55.90000110L6 N8 L117 S118 I119 I155 L159L6-T10 PolarHBondContact N-O 2.86Å; N8-T10 VanDerWaalsContact C-N 3.35Å; T10-L117 HydrophobicContact CG2-CD1 3.54Å; T10-S118 CarbonylContact C-O 3.6Å; T10-S118 WeakPolarHBondContact CA-O 3.09Å; T10-S118 WeakPolarHBondContact CG2-O 3.36Å; T10-I119 HydrophobicContact CG2-CG1 4.23Å; T10-I155 HydrophobicContact CG2-CG2 3.8Å; T10-L159 HydrophobicContact CG2-CD1 4.08Å
11T86.4Confident73.8Confident20 Ų2061.6 Ų61.612%0.12334%0.337CS..EExtended strand (participates in β ladder)trans-135.7141.3179.9540000109.9I3 T5 S118I3-T11 HydrophobicContact CG2-CG2 3.75Å; T5-T11 HydrophobicContact CG2-CG2 3.82Å; T11-S118 PolarHBondContact N-O 3.07Å; T11-S118 PolarHBondContact O-N 3.2Å; T11-S118 WeakPolarHBondContact OG1-CB 3.17Å; T11-S118 PolarHBondContact OG1-OG 3.46Å
12V87.2Confident76.4Confident12 Ų1253.9 Ų53.97%0.07330%0.303CS..EExtended strand (participates in β ladder)trans-114.5134169.4158.90000109.4Y115 L117 L156 L159 I165V12-Y115 HydrophobicContact CG1-CD1 3.54Å; V12-Y115 HydrophobicContact CG1-CE1 4.31Å; V12-Y115 HydrophobicContact CG1-CG 4Å; V12-L117 HydrophobicContact CG2-CB 4.35Å; V12-L117 HydrophobicContact CG2-CD1 3.45Å; V12-L117 VanDerWaalsContact CG2-CD1 3.45Å; V12-L156 HydrophobicContact CG2-CD2 4.4Å; V12-L159 HydrophobicContact CB-CD1 4.4Å; V12-L159 HydrophobicContact CG2-CD1 3.46Å; V12-L159 VanDerWaalsContact CG2-CD1 3.46Å; V12-I165 HydrophobicContact CG1-CG1 4.23Å
13T89.8Confident79.2Confident39 Ų3949.8 Ų49.824%0.23928%0.278CS..EExtended strand (participates in β ladder)trans-129.9132.7177.8-52.90000109.2L15 Q17 F18 Y115 V116T13-L15 PolarHBondContact O-N 2.9Å; T13-Q17 HydrophobicContact CG2-CB 4.06Å; T13-F18 HydrophobicContact CG2-CB 4.03Å; T13-Y115 CarbonylContact O-C 3.55Å; T13-Y115 WeakPolarHBondContact O-CA 3.19Å; T13-V116 PolarHBondContact N-O 3.32Å; T13-V116 PolarHBondContact O-N 3.25Å
14E90.9Very high81.1Confident64 Ų6453.6 Ų53.630%0.29929%0.294SS..EExtended strand (participates in β ladder)trans-59.3136.9172.7-167.9-156.6148.500110.1G16 Q17 F18 Q113 Y115E14-G16 VanDerWaalsContact C-N 3.29Å; E14-G16 PolarHBondContact O-N 3.06Å; E14-Q17 HydrophobicContact CB-CB 4.22Å; E14-Q17 HydrophobicContact CB-CG 4.01Å; E14-Q17 WeakPolarHBondContact O-CA 3.36Å; E14-Q17 WeakPolarHBondContact O-CB 3.24Å; E14-Q17 PolarHBondContact O-N 3.26Å; E14-Q17 PolarHBondContact OE2-NE2 2.92Å; E14-F18 PolarHBondContact O-N 2.92Å; E14-Q113 HydrophobicContact CG-CG 4.29Å; E14-Q113 PolarHBondContact OE1-NE2 2.86Å; E14-Q113 VanDerWaalsContact OE1-NE2 3.07Å; E14-Y115 HydrophobicContact CB-CD1 4.39Å; E14-Y115 HydrophobicContact CB-CE1 4.34Å
15L90.6Very high82.7Confident3 Ų352.6 Ų52.62%0.01630%0.295CS..Hα-helixtrans-54.9-44.1-176.9177.764.6000112.6T13 Q17 F18 L19 F50 L90 E114 V116T13-L15 PolarHBondContact O-N 2.9Å; L15-Q17 VanDerWaalsContact C-N 3.26Å; L15-Q17 PolarHBondContact O-N 2.78Å; L15-F18 WeakPolarHBondContact O-CB 3.43Å; L15-F18 PolarHBondContact O-N 3.23Å; L15-L19 HydrophobicContact CD1-CD1 4.25Å; L15-L19 HydrophobicContact CD1-CG 4.18Å; L15-L19 HydrophobicContact CG-CD1 4.16Å; L15-L19 HydrophobicContact CG-CG 4.47Å; L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 2.79Å; L15-F50 HydrophobicContact CD1-CZ 3.97Å; L15-F50 HydrophobicContact CD2-CE2 3.46Å; L15-F50 VanDerWaalsContact CD2-CE2 3.46Å; L15-F50 HydrophobicContact CD2-CZ 3.63Å; L15-F50 HydrophobicContact CG-CZ 4.47Å; L15-L90 HydrophobicContact CD1-CD1 4.27Å; L15-E114 HydrophobicContact CB-CB 4.05Å; L15-E114 WeakPolarHBondContact CB-O 3.24Å; L15-E114 HydrophobicContact CD2-CB 4.02Å; L15-E114 WeakPolarHBondContact CD2-OE2 3.41Å; L15-E114 PolarHBondContact N-O 3.32Å; L15-V116 HydrophobicContact CD1-CG2 4.03Å
16G88.8Confident84.5Confident24 Ų2449.3 Ų49.325%0.24727%0.274CS..Hα-helixtrans-61.1-34.6177.700000113E14 K20E14-G16 VanDerWaalsContact C-N 3.29Å; E14-G16 PolarHBondContact O-N 3.06Å; G16-K20 VanDerWaalsContact O-CG 3.28Å; G16-K20 WeakPolarHBondContact O-CG 3Å; G16-K20 PolarHBondContact O-N 3.08Å
17Q89.8Confident86Confident103 Ų10352.7 Ų52.748%0.48130%0.295SS..Hα-helixtrans-74.9-40.1175.5-65.4-178.913.400111.8T13 E14 L15 L19 K20 N21T13-Q17 HydrophobicContact CG2-CB 4.06Å; E14-Q17 HydrophobicContact CB-CB 4.22Å; E14-Q17 HydrophobicContact CB-CG 4.01Å; E14-Q17 WeakPolarHBondContact O-CA 3.36Å; E14-Q17 WeakPolarHBondContact O-CB 3.24Å; E14-Q17 PolarHBondContact O-N 3.26Å; E14-Q17 PolarHBondContact OE2-NE2 2.92Å; L15-Q17 VanDerWaalsContact C-N 3.26Å; L15-Q17 PolarHBondContact O-N 2.78Å; Q17-L19 VanDerWaalsContact C-N 3.3Å; Q17-L19 PolarHBondContact O-N 2.86Å; Q17-K20 PolarHBondContact O-N 2.95Å; Q17-N21 PolarHBondContact O-N 3.43Å
18F91.9Very high87.7Confident1 Ų148.7 Ų48.70%0.00427%0.268CS..Hα-helixtrans-59.1-41.7175.6-177.6-83.8000111.6T13 E14 L15 N21 P22 P23 F26 V37 F59 Y88 V116T13-F18 HydrophobicContact CG2-CB 4.03Å; E14-F18 PolarHBondContact O-N 2.92Å; L15-F18 WeakPolarHBondContact O-CB 3.43Å; L15-F18 PolarHBondContact O-N 3.23Å; F18-N21 CarbonylContact O-C 3.43Å; F18-P22 WeakPolarHBondContact O-CA 3.36Å; F18-P22 VanDerWaalsContact O-N 3.15Å; F18-P23 HydrophobicContact CD2-CG 4.12Å; F18-P23 HydrophobicContact CE2-CG 3.51Å; F18-P23 HydrophobicContact CZ-CG 4.2Å; F18-F26 HydrophobicContact CE1-CD1 4.34Å; F18-F26 AromaticContact CZ-CD1 3.72Å; F18-F26 HydrophobicContact CZ-CD1 3.72Å; F18-F26 HydrophobicContact CZ-CD2 4.39Å; F18-F26 AromaticContact CZ-CE1 3.92Å; F18-F26 HydrophobicContact CZ-CE1 3.92Å; F18-F26 AromaticContact CZ-CG 3.95Å; F18-F26 HydrophobicContact CZ-CG 3.95Å; F18-F26 HydrophobicContact CZ-CZ 4.35Å; F18-V37 HydrophobicContact CE1-CG1 4.14Å; F18-F59 HydrophobicContact CD1-CZ 4.48Å; F18-F59 AromaticContact CE1-CE1 3.79Å; F18-F59 HydrophobicContact CE1-CE1 3.79Å; F18-F59 AromaticContact CE1-CZ 3.87Å; F18-F59 HydrophobicContact CE1-CZ 3.87Å; F18-F59 HydrophobicContact CZ-CE1 4.07Å; F18-F59 HydrophobicContact CZ-CZ 4.46Å; F18-Y88 HydrophobicContact CE2-CD1 4.22Å; F18-Y88 HydrophobicContact CE2-CE1 4.12Å; F18-V116 HydrophobicContact CB-CG2 4.27Å; F18-V116 HydrophobicContact CD1-CG2 4.31Å; F18-V116 HydrophobicContact CD2-CB 4.02Å; F18-V116 HydrophobicContact CD2-CG1 4.04Å; F18-V116 HydrophobicContact CD2-CG2 4.13Å; F18-V116 HydrophobicContact CE2-CB 4.42Å; F18-V116 HydrophobicContact CE2-CG1 3.94Å; F18-V116 HydrophobicContact CG-CB 4.35Å; F18-V116 HydrophobicContact CG-CG2 3.98Å
19L91.1Very high89.1Confident14 Ų1453.5 Ų53.57%0.07329%0.288CS..Hα-helixtrans-71.1-33.7178.5-66.4175000112.9L15 Q17 V28 Y35 V37 F55 V57L15-L19 HydrophobicContact CD1-CD1 4.25Å; L15-L19 HydrophobicContact CD1-CG 4.18Å; L15-L19 HydrophobicContact CG-CD1 4.16Å; L15-L19 HydrophobicContact CG-CG 4.47Å; L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 2.79Å; Q17-L19 VanDerWaalsContact C-N 3.3Å; Q17-L19 PolarHBondContact O-N 2.86Å; L19-V28 HydrophobicContact CD2-CG1 4.13Å; L19-V28 HydrophobicContact CD2-CG2 4.48Å; L19-Y35 HydrophobicContact CD1-CD2 4Å; L19-Y35 HydrophobicContact CD1-CE2 4.3Å; L19-Y35 HydrophobicContact CD1-CG 4.12Å; L19-Y35 HydrophobicContact CD2-CD1 4.46Å; L19-Y35 HydrophobicContact CD2-CG 4.29Å; L19-V37 HydrophobicContact CD2-CG2 3.76Å; L19-F55 HydrophobicContact CD1-CE2 3.87Å; L19-F55 HydrophobicContact CD1-CZ 4.43Å; L19-V57 HydrophobicContact CD1-CG2 4.25Å; L19-V57 HydrophobicContact CD2-CG1 4.31Å
20K90.8Very high89.8Confident171 Ų17156.1 Ų56.174%0.74331%0.309SS*.Hα-helixtrans-75.4-41.9177.9-73.9173.5-176.7176.80112.5G16 Q17G16-K20 VanDerWaalsContact O-CG 3.28Å; G16-K20 WeakPolarHBondContact O-CG 3Å; G16-K20 PolarHBondContact O-N 3.08Å; Q17-K20 PolarHBondContact O-N 2.95Å
21N90.1Very high89.9Confident117 Ų11759.8 Ų59.863%0.62633%0.331SS*.SBendtrans-131.776.7-176.7-63.5-53.4000109.1Q17 F18Q17-N21 PolarHBondContact O-N 3.43Å; F18-N21 CarbonylContact O-C 3.43Å
22P91.3Very high89.8Confident48 Ų4862.9 Ų62.931%0.31237%0.367SS..PPolyproline II helixtrans-63.9142.8-178.625.2-33.4000111.2F18 F26 V28F18-P22 WeakPolarHBondContact O-CA 3.36Å; F18-P22 VanDerWaalsContact O-N 3.15Å; P22-F26 HydrophobicContact CB-CB 3.79Å; P22-V28 HydrophobicContact CB-CG2 3.81Å; P22-V28 HydrophobicContact CG-CG2 3.92Å
23P88.7Confident89.6Confident43 Ų4366.7 Ų66.728%0.27939%0.394SS..PPolyproline II helixtrans-67.8166.5174.427.2-30.4000111.3F18 G25 F26 Y88F18-P23 HydrophobicContact CD2-CG 4.12Å; F18-P23 HydrophobicContact CE2-CG 3.51Å; F18-P23 HydrophobicContact CZ-CG 4.2Å; P23-G25 PolarHBondContact O-N 3.21Å; P23-F26 HydrophobicContact CG-CD2 3.73Å; P23-F26 HydrophobicContact CG-CE2 4.21Å; P23-F26 HydrophobicContact CG-CG 4.38Å; P23-F26 WeakPolarHBondContact O-CB 3.44Å; P23-F26 PolarHBondContact O-N 3.32Å; P23-F26 VanDerWaalsContact O-N 3.08Å; P23-Y88 HydrophobicContact CG-CE1 4.13Å
24E87.1Confident89.5Confident183 Ų18366 Ų6686%0.85539%0.392SS*.THydrogen-bonded Turntrans-53.2137.6176.7-170.6177.5-172.900111.5F26E24-F26 VanDerWaalsContact C-N 3.34Å
25G86.9Confident89.4Confident27 Ų2766.8 Ų66.828%0.27839%0.393SS..THydrogen-bonded Turntrans87.7-1.5-174.500000115P23 G40 E42P23-G25 PolarHBondContact O-N 3.21Å; G25-G40 PolarHBondContact O-N 2.94Å; G25-E42 WeakPolarHBondContact CA-OE1 3.47Å
26F92.5Very high89.5Confident13 Ų1370 Ų706%0.05741%0.407CS..EExtended strand (participates in β ladder)trans-117.1137.4176-67.9-95.8000111.8F18 P22 P23 E24 V37 Q38 C39 N43 V45 F59 Y88F18-F26 HydrophobicContact CE1-CD1 4.34Å; F18-F26 AromaticContact CZ-CD1 3.72Å; F18-F26 HydrophobicContact CZ-CD1 3.72Å; F18-F26 HydrophobicContact CZ-CD2 4.39Å; F18-F26 AromaticContact CZ-CE1 3.92Å; F18-F26 HydrophobicContact CZ-CE1 3.92Å; F18-F26 AromaticContact CZ-CG 3.95Å; F18-F26 HydrophobicContact CZ-CG 3.95Å; F18-F26 HydrophobicContact CZ-CZ 4.35Å; P22-F26 HydrophobicContact CB-CB 3.79Å; P23-F26 HydrophobicContact CG-CD2 3.73Å; P23-F26 HydrophobicContact CG-CE2 4.21Å; P23-F26 HydrophobicContact CG-CG 4.38Å; P23-F26 WeakPolarHBondContact O-CB 3.44Å; P23-F26 PolarHBondContact O-N 3.32Å; P23-F26 VanDerWaalsContact O-N 3.08Å; E24-F26 VanDerWaalsContact C-N 3.34Å; F26-V37 HydrophobicContact CD1-CG1 3.72Å; F26-V37 HydrophobicContact CE1-CG1 4.5Å; F26-Q38 WeakPolarHBondContact CA-O 3.46Å; F26-C39 HydrophobicContact CD1-CB 4.13Å; F26-C39 HydrophobicContact CE1-CB 3.82Å; F26-C39 WeakPolarHBondContact CE1-SG 3.49Å; F26-C39 HydrophobicContact CZ-CB 4.48Å; F26-C39 WeakPolarHBondContact CZ-SG 3.45Å; F26-N43 HydrophobicContact CE2-CB 4.18Å; F26-N43 WeakPolarHBondContact CE2-ND2 3.19Å; F26-N43 HydrophobicContact CZ-CB 4.13Å; F26-V45 HydrophobicContact CE1-CG2 3.91Å; F26-V45 HydrophobicContact CZ-CG2 4.01Å; F26-F59 HydrophobicContact CE1-CD1 4.41Å; F26-F59 HydrophobicContact CE1-CE1 4.24Å; F26-Y88 HydrophobicContact CE2-CD1 4.21Å; F26-Y88 HydrophobicContact CE2-CD2 4.03Å; F26-Y88 AromaticContact CE2-CE1 3.71Å; F26-Y88 HydrophobicContact CE2-CE1 3.71Å; F26-Y88 AromaticContact CE2-CE2 3.52Å; F26-Y88 HydrophobicContact CE2-CE2 3.52Å; F26-Y88 HydrophobicContact CE2-CG 4.35Å; F26-Y88 AromaticContact CE2-CZ 3.34Å; F26-Y88 AromaticContact CZ-CD1 3.9Å; F26-Y88 HydrophobicContact CZ-CD1 3.9Å; F26-Y88 AromaticContact CZ-CD2 3.64Å; F26-Y88 HydrophobicContact CZ-CD2 3.64Å; F26-Y88 AromaticContact CZ-CE1 3.89Å; F26-Y88 HydrophobicContact CZ-CE1 3.89Å; F26-Y88 AromaticContact CZ-CE2 3.65Å; F26-Y88 HydrophobicContact CZ-CE2 3.65Å; F26-Y88 AromaticContact CZ-CG 3.77Å; F26-Y88 HydrophobicContact CZ-CG 3.77Å; F26-Y88 AromaticContact CZ-CZ 3.78Å
27T92.6Very high89.7Confident75 Ų7568.8 Ų68.846%0.4640%0.396SS..EExtended strand (participates in β ladder)trans-126.9125.3172-61.10000109.1Q38T27-Q38 PolarHBondContact N-O 2.74Å; T27-Q38 PolarHBondContact O-N 2.82Å
28V93.6Very high89.8Confident34 Ų3467.9 Ų67.921%0.20639%0.391CS..EExtended strand (participates in β ladder)trans-107.2129.6-177.7-177.80000109.4L19 P22 Y35 V37L19-V28 HydrophobicContact CD2-CG1 4.13Å; L19-V28 HydrophobicContact CD2-CG2 4.48Å; P22-V28 HydrophobicContact CB-CG2 3.81Å; P22-V28 HydrophobicContact CG-CG2 3.92Å; V28-Y35 HydrophobicContact CG1-CD1 3.7Å; V28-Y35 HydrophobicContact CG1-CE1 4.49Å; V28-V37 HydrophobicContact CG2-CG1 4.23Å; V28-V37 HydrophobicContact CG2-CG2 4.2Å
29K92.6Very high89.8Confident114 Ų11468.2 Ų68.250%0.49639%0.393SS..EExtended strand (participates in β ladder)trans-121.1123.8174.1-66.6177.6-178.4169.50109.4Q36K29-Q36 PolarHBondContact N-O 3.25Å; K29-Q36 PolarHBondContact O-N 3.43Å
30A89.7Confident89.6Confident74 Ų7468.7 Ų68.761%0.61240%0.402SS*.EExtended strand (participates in β ladder)trans-82122.7169.700000109.3Y35A30-Y35 HydrophobicContact CB-CD1 4.3Å; A30-Y35 HydrophobicContact CB-CE1 4.09Å
31V85.6Confident89.4Confident77 Ų7768.7 Ų68.747%0.46741%0.405SS..EExtended strand (participates in β ladder)trans-126.295.2179.1-175.50000107.8S33 A34 Q36V31-S33 PolarHBondContact O-N 2.97Å; V31-A34 PolarHBondContact N-O 3.06Å; V31-A34 PolarHBondContact O-N 2.88Å; V31-A34 VanDerWaalsContact O-N 3.07Å; V31-Q36 HydrophobicContact CG2-CG 4.31Å
32G84.4Confident89.3Confident85 Ų8567.6 Ų67.688%0.87640%0.396SS*.THydrogen-bonded Turntrans62.3-124.2-17400000111.6A34G32-A34 VanDerWaalsContact C-N 3.3Å
33S82.9Confident89.3Confident92 Ų9266.1 Ų66.164%0.64339%0.386SS*.THydrogen-bonded Turntrans-90.217175.3600000113.7V31 F55 D56V31-S33 PolarHBondContact O-N 2.97Å; S33-F55 VanDerWaalsContact O-CA 3.24Å; S33-F55 WeakPolarHBondContact O-CA 3.27Å; S33-F55 WeakPolarHBondContact O-CB 3.13Å; S33-D56 PolarHBondContact O-N 3.5Å
34A87.6Confident89.5Confident24 Ų2464.7 Ų64.720%0.19838%0.375CS..EExtended strand (participates in β ladder)trans-126.7144.4-178.700000112.2V31 G32 D56V31-A34 PolarHBondContact N-O 3.06Å; V31-A34 PolarHBondContact O-N 2.88Å; V31-A34 VanDerWaalsContact O-N 3.07Å; G32-A34 VanDerWaalsContact C-N 3.3Å; A34-D56 CarbonylContact C-O 3.49Å; A34-D56 VanDerWaalsContact CA-O 3.25Å; A34-D56 WeakPolarHBondContact CA-O 3.15Å; A34-D56 HydrophobicContact CB-CB 3.93Å
35Y90.1Very high89.8Confident80 Ų8056.1 Ų56.131%0.31434%0.335SS..EExtended strand (participates in β ladder)trans-100.4125.5168.9-69.8-85.7000109.9L19 V28 A30 F55 D56 V58L19-Y35 HydrophobicContact CD1-CD2 4Å; L19-Y35 HydrophobicContact CD1-CE2 4.3Å; L19-Y35 HydrophobicContact CD1-CG 4.12Å; L19-Y35 HydrophobicContact CD2-CD1 4.46Å; L19-Y35 HydrophobicContact CD2-CG 4.29Å; V28-Y35 HydrophobicContact CG1-CD1 3.7Å; V28-Y35 HydrophobicContact CG1-CE1 4.49Å; A30-Y35 HydrophobicContact CB-CD1 4.3Å; A30-Y35 HydrophobicContact CB-CE1 4.09Å; Y35-F55 HydrophobicContact CD2-CB 4.4Å; Y35-F55 AromaticContact CD2-CD2 3.57Å; Y35-F55 HydrophobicContact CD2-CD2 3.57Å; Y35-F55 HydrophobicContact CD2-CE2 4.06Å; Y35-F55 HydrophobicContact CD2-CG 4.11Å; Y35-F55 HydrophobicContact CE2-CB 4.41Å; Y35-F55 AromaticContact CE2-CD2 3.82Å; Y35-F55 HydrophobicContact CE2-CD2 3.82Å; Y35-F55 HydrophobicContact CE2-CE2 4.19Å; Y35-F55 HydrophobicContact CE2-CG 4.01Å; Y35-D56 PolarHBondContact N-O 3.07Å; Y35-V58 PolarHBondContact O-N 3.18Å
36Q92.3Very high90.1Very high70 Ų7054.8 Ų54.833%0.32732%0.322SS..EExtended strand (participates in β ladder)trans-101.7117.3167.9-64.6-173.111.900108.6K29 V31 Q60K29-Q36 PolarHBondContact N-O 3.25Å; K29-Q36 PolarHBondContact O-N 3.43Å; V31-Q36 HydrophobicContact CG2-CG 4.31Å; Q36-Q60 VanDerWaalsContact OE1-NE2 3.11Å
37V92.8Very high90.1Very high0 Ų054.3 Ų54.30%032%0.32CS..EExtended strand (participates in β ladder)trans-103.9109.6178.5-174.10000108F18 L19 F26 V28 V57 V58 F59 Q60F18-V37 HydrophobicContact CE1-CG1 4.14Å; L19-V37 HydrophobicContact CD2-CG2 3.76Å; F26-V37 HydrophobicContact CD1-CG1 3.72Å; F26-V37 HydrophobicContact CE1-CG1 4.5Å; V28-V37 HydrophobicContact CG2-CG1 4.23Å; V28-V37 HydrophobicContact CG2-CG2 4.2Å; V37-V57 HydrophobicContact CG2-CG1 4.09Å; V37-V58 PolarHBondContact N-O 3.07Å; V37-F59 HydrophobicContact CB-CD1 3.81Å; V37-F59 HydrophobicContact CB-CE1 3.96Å; V37-F59 HydrophobicContact CB-CG 4.13Å; V37-F59 HydrophobicContact CB-CZ 4.37Å; V37-F59 HydrophobicContact CG1-CD1 3.71Å; V37-F59 HydrophobicContact CG1-CE1 3.62Å; V37-F59 HydrophobicContact CG1-CZ 4.33Å; V37-F59 HydrophobicContact CG2-CD1 4.47Å; V37-F59 HydrophobicContact CG2-CE1 4.26Å; V37-F59 HydrophobicContact CG2-CE2 4.34Å; V37-F59 HydrophobicContact CG2-CZ 4.18Å; V37-F59 CarbonylContact O-C 3.33Å; V37-F59 WeakPolarHBondContact O-CA 3.36Å; V37-Q60 PolarHBondContact O-N 3.01Å
38Q92.4Very high89.9Confident84 Ų8454.4 Ų54.439%0.39332%0.318SS..EExtended strand (participates in β ladder)trans-85.6130.2172.6-170.8172.92.600109.4F26 T27F26-Q38 WeakPolarHBondContact CA-O 3.46Å; T27-Q38 PolarHBondContact N-O 2.74Å; T27-Q38 PolarHBondContact O-N 2.82Å
39C90.5Very high89.6Confident7 Ų759.3 Ų59.35%0.04734%0.336CS..EExtended strand (participates in β ladder)trans-115.2132.9-179.9-171.70000110.3F26 N43 V45F26-C39 HydrophobicContact CD1-CB 4.13Å; F26-C39 HydrophobicContact CE1-CB 3.82Å; F26-C39 WeakPolarHBondContact CE1-SG 3.49Å; F26-C39 HydrophobicContact CZ-CB 4.48Å; F26-C39 WeakPolarHBondContact CZ-SG 3.45Å; C39-N43 WeakPolarHBondContact SG-CB 3.33Å; C39-V45 HydrophobicContact CB-CG2 3.96Å; C39-V45 WeakPolarHBondContact SG-CG2 3.33Å
40G87.3Confident89.3Confident25 Ų2555.2 Ų55.226%0.25832%0.319SS..  trans-70.6162.3173.400000112.9G25 E42 N43G25-G40 PolarHBondContact O-N 2.94Å; G40-E42 VanDerWaalsContact C-OE2 3.22Å; G40-E42 WeakPolarHBondContact CA-OE1 3.35Å; G40-E42 WeakPolarHBondContact CA-OE2 3.16Å; G40-E42 PolarHBondContact O-N 2.84Å; G40-N43 PolarHBondContact O-N 3.39Å
41E86.3Confident89Confident170 Ų17057.4 Ų57.479%0.79432%0.316SS*.THydrogen-bonded Turntrans-69.5-17.1-175-62.8-171.8169.900113.5N43 K85E41-N43 PolarHBondContact O-N 2.78Å; E41-K85 WeakPolarHBondContact O-CE 3.35Å; E41-K85 PolarHBondContact O-NZ 3.48Å
42E87.6Confident88.7Confident94 Ų9454.6 Ų54.644%0.43930%0.3SS..THydrogen-bonded Turntrans-70.8-14.7177.269.5-68.4158.100113.7G25 G40 K85G25-E42 WeakPolarHBondContact CA-OE1 3.47Å; G40-E42 VanDerWaalsContact C-OE2 3.22Å; G40-E42 WeakPolarHBondContact CA-OE1 3.35Å; G40-E42 WeakPolarHBondContact CA-OE2 3.16Å; G40-E42 PolarHBondContact O-N 2.84Å; E42-K85 VanDerWaalsContact O-CB 3.27Å; E42-K85 WeakPolarHBondContact O-CB 3.25Å; E42-K85 WeakPolarHBondContact O-CG 3.39Å
43N91.5Very high88.3Confident18 Ų1853.5 Ų53.510%0.09629%0.289CS..EExtended strand (participates in β ladder)trans-114.2145.6-175.3-68.4-48.7000111.1F26 C39 G40 E41 Y88F26-N43 HydrophobicContact CE2-CB 4.18Å; F26-N43 WeakPolarHBondContact CE2-ND2 3.19Å; F26-N43 HydrophobicContact CZ-CB 4.13Å; C39-N43 WeakPolarHBondContact SG-CB 3.33Å; G40-N43 PolarHBondContact O-N 3.39Å; E41-N43 PolarHBondContact O-N 2.78Å; N43-Y88 HydrophobicContact CB-CD2 4.23Å; N43-Y88 HydrophobicContact CB-CE2 3.99Å; N43-Y88 WeakPolarHBondContact OD1-CE2 3.34Å
44L93.2Very high88Confident12 Ų1256.4 Ų56.46%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-108119.7172.9-66.7176.8000109.3F46 L63 L82 K85 R86 I87 Y88L44-F46 HydrophobicContact CB-CE2 3.92Å; L44-F46 HydrophobicContact CD1-CE2 4.45Å; L44-L63 HydrophobicContact CD2-CD1 3.9Å; L44-L82 HydrophobicContact CD1-CD2 4.04Å; L44-L82 HydrophobicContact CD1-CG 4.32Å; L44-K85 HydrophobicContact CD1-CB 4.17Å; L44-K85 HydrophobicContact CD2-CD 4.12Å; L44-K85 HydrophobicContact CG-CB 3.95Å; L44-K85 HydrophobicContact CG-CD 4.02Å; L44-R86 PolarHBondContact N-O 3.04Å; L44-I87 HydrophobicContact CB-CG1 4.37Å; L44-I87 HydrophobicContact CD1-CG1 4.21Å; L44-I87 CarbonylContact O-C 3.56Å; L44-I87 WeakPolarHBondContact O-CA 3.44Å; L44-Y88 PolarHBondContact O-N 2.89Å
45V94.2Very high87.8Confident3 Ų358 Ų582%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-112.2117.8-179-177.50000109.5F26 C39 I47 F59 S62 L63F26-V45 HydrophobicContact CE1-CG2 3.91Å; F26-V45 HydrophobicContact CZ-CG2 4.01Å; C39-V45 HydrophobicContact CB-CG2 3.96Å; C39-V45 WeakPolarHBondContact SG-CG2 3.33Å; V45-I47 HydrophobicContact CG1-CB 3.74Å; V45-I47 HydrophobicContact CG1-CD1 3.8Å; V45-I47 HydrophobicContact CG1-CG1 3.65Å; V45-F59 HydrophobicContact CG1-CB 4.04Å; V45-F59 HydrophobicContact CG1-CD1 3.75Å; V45-F59 HydrophobicContact CG1-CE1 4.46Å; V45-F59 HydrophobicContact CG1-CG 4.03Å; V45-S62 PolarHBondContact O-OG 3.34Å; V45-S62 VanDerWaalsContact O-OG 3.13Å; V45-L63 PolarHBondContact O-N 2.58Å
46F92.9Very high87.7Confident0 Ų056.4 Ų56.40%030%0.296CS..EExtended strand (participates in β ladder)trans-108.259.5174-63.2-89.6000109.5L44 L63 G64 R65 L67 M78 L82 I87 Y88 V89 F181 L183L44-F46 HydrophobicContact CB-CE2 3.92Å; L44-F46 HydrophobicContact CD1-CE2 4.45Å; F46-L63 HydrophobicContact CD1-CB 4.17Å; F46-L63 HydrophobicContact CE1-CB 4.15Å; F46-L63 HydrophobicContact CE1-CD1 3.85Å; F46-L63 HydrophobicContact CE2-CD1 4.36Å; F46-L63 HydrophobicContact CZ-CD1 3.76Å; F46-G64 VanDerWaalsContact CD1-O 3.3Å; F46-G64 WeakPolarHBondContact CD1-O 3.48Å; F46-R65 WeakPolarHBondContact O-CG 3.38Å; F46-L67 HydrophobicContact CE1-CB 4.46Å; F46-L67 HydrophobicContact CE1-CD2 4.48Å; F46-M78 HydrophobicContact CZ-SD 4.36Å; F46-L82 HydrophobicContact CE2-CD2 3.96Å; F46-L82 HydrophobicContact CZ-CD2 3.94Å; F46-I87 HydrophobicContact CD2-CG2 3.7Å; F46-I87 HydrophobicContact CE2-CG2 3.84Å; F46-Y88 PolarHBondContact N-O 3.45Å; F46-V89 HydrophobicContact CB-CG2 4.36Å; F46-F181 HydrophobicContact CB-CB 4.12Å; F46-F181 HydrophobicContact CB-CG 4.26Å; F46-F181 HydrophobicContact CD1-CB 4.32Å; F46-F181 AromaticContact CD1-CD2 3.72Å; F46-F181 HydrophobicContact CD1-CD2 3.72Å; F46-F181 HydrophobicContact CD1-CE2 4.31Å; F46-F181 HydrophobicContact CD1-CG 4.18Å; F46-F181 HydrophobicContact CD2-CD2 4.28Å; F46-F181 HydrophobicContact CD2-CE2 4.29Å; F46-F181 AromaticContact CE1-CD2 3.86Å; F46-F181 HydrophobicContact CE1-CD2 3.86Å; F46-F181 HydrophobicContact CE1-CE2 4.1Å; F46-F181 HydrophobicContact CE2-CD2 4.39Å; F46-F181 HydrophobicContact CE2-CE2 4.06Å; F46-F181 HydrophobicContact CE2-CZ 4.46Å; F46-F181 HydrophobicContact CG-CB 4.33Å; F46-F181 AromaticContact CG-CD2 3.96Å; F46-F181 HydrophobicContact CG-CD2 3.96Å; F46-F181 HydrophobicContact CG-CE2 4.42Å; F46-F181 HydrophobicContact CG-CG 4.09Å; F46-F181 HydrophobicContact CZ-CD2 4.2Å; F46-F181 AromaticContact CZ-CE2 3.97Å; F46-F181 HydrophobicContact CZ-CE2 3.97Å; F46-L183 HydrophobicContact CE1-CD2 4.08Å; F46-L183 HydrophobicContact CZ-CD2 4.47Å
47I92.3Very high87.6Confident2 Ų253 Ų531%0.0128%0.28CS..  trans-124.8115.3-176.6-56.9178.5000108.7V45 F50 F59 S62 L90 V116V45-I47 HydrophobicContact CG1-CB 3.74Å; V45-I47 HydrophobicContact CG1-CD1 3.8Å; V45-I47 HydrophobicContact CG1-CG1 3.65Å; I47-F50 HydrophobicContact CG2-CD1 4.01Å; I47-F50 HydrophobicContact CG2-CE1 3.83Å; I47-F59 HydrophobicContact CB-CD2 4.08Å; I47-F59 HydrophobicContact CB-CE2 4.47Å; I47-F59 HydrophobicContact CB-CG 4.3Å; I47-F59 HydrophobicContact CD1-CD1 4.27Å; I47-F59 HydrophobicContact CD1-CD2 4.3Å; I47-F59 HydrophobicContact CD1-CE1 3.9Å; I47-F59 HydrophobicContact CD1-CE2 3.96Å; I47-F59 HydrophobicContact CD1-CG 4.45Å; I47-F59 HydrophobicContact CD1-CZ 3.74Å; I47-F59 HydrophobicContact CG2-CD2 3.64Å; I47-F59 HydrophobicContact CG2-CE2 3.85Å; I47-F59 HydrophobicContact CG2-CG 4.35Å; I47-S62 PolarHBondContact N-OG 2.84Å; I47-S62 WeakPolarHBondContact O-CB 3.35Å; I47-S62 PolarHBondContact O-OG 3.13Å; I47-L90 HydrophobicContact CB-CB 4.36Å; I47-L90 HydrophobicContact CD1-CB 4.01Å; I47-L90 HydrophobicContact CG1-CB 3.88Å; I47-L90 HydrophobicContact CG2-CB 3.73Å; I47-L90 HydrophobicContact CG2-CD2 4.23Å; I47-V116 HydrophobicContact CD1-CG1 4.47Å
48D88.9Confident87.5Confident77 Ų7755.4 Ų55.441%0.41230%0.295SS..  trans-72161.2173.3-63.3-39.9000110.2F50 G64 R65D48-F50 WeakPolarHBondContact O-CD1 3.46Å; D48-F50 PolarHBondContact O-N 3.22Å; D48-G64 WeakPolarHBondContact OD1-CA 3.39Å; D48-R65 PolarHBondContact OD1-N 2.55Å; D48-R65 WeakPolarHBondContact OD2-CB 3.42Å; D48-R65 WeakPolarHBondContact OD2-CG 3.49Å
49K86.7Confident87.5Confident137 Ų13752 Ų5260%0.59628%0.278SS*.  trans-58.1132.9168.6175.9176.4-177.7-170.80108.9D56 V58K49-D56 VanDerWaalsContact CE-OD2 3.25Å; K49-D56 WeakPolarHBondContact CE-OD2 3.39Å; K49-D56 IonicContact NZ-OD2 3.82Å; K49-D56 PolarHBondContact NZ-OD2 2.78Å; K49-V58 HydrophobicContact CD-CG2 3.85Å; K49-V58 HydrophobicContact CG-CG2 3.99Å
50F85.6Confident87.5Confident29 Ų2955 Ų5513%0.12729%0.292CS..EExtended strand (participates in β ladder)trans-140.5162.8179.568.9-78.5000111.8L15 I47 D48 V57 F59 L90L15-F50 HydrophobicContact CD1-CZ 3.97Å; L15-F50 HydrophobicContact CD2-CE2 3.46Å; L15-F50 VanDerWaalsContact CD2-CE2 3.46Å; L15-F50 HydrophobicContact CD2-CZ 3.63Å; L15-F50 HydrophobicContact CG-CZ 4.47Å; I47-F50 HydrophobicContact CG2-CD1 4.01Å; I47-F50 HydrophobicContact CG2-CE1 3.83Å; D48-F50 WeakPolarHBondContact O-CD1 3.46Å; D48-F50 PolarHBondContact O-N 3.22Å; F50-V57 HydrophobicContact CD1-CB 4.26Å; F50-V57 HydrophobicContact CE1-CB 3.65Å; F50-V57 HydrophobicContact CE1-CG1 3.83Å; F50-V57 HydrophobicContact CE1-CG2 4.47Å; F50-V57 HydrophobicContact CE2-CB 4.1Å; F50-V57 HydrophobicContact CE2-CG2 4.1Å; F50-V57 HydrophobicContact CZ-CB 3.56Å; F50-V57 HydrophobicContact CZ-CG1 3.85Å; F50-V57 HydrophobicContact CZ-CG2 3.89Å; F50-V57 PolarHBondContact N-O 3.02Å; F50-V57 PolarHBondContact O-N 2.96Å; F50-F59 HydrophobicContact CE1-CD2 4.27Å; F50-F59 AromaticContact CE1-CE2 3.88Å; F50-F59 HydrophobicContact CE1-CE2 3.88Å; F50-F59 HydrophobicContact CZ-CE2 4.46Å; F50-L90 HydrophobicContact CB-CD2 4.45Å; F50-L90 HydrophobicContact CD1-CD2 3.53Å; F50-L90 HydrophobicContact CD2-CD2 3.71Å; F50-L90 HydrophobicContact CE1-CD1 4.27Å; F50-L90 HydrophobicContact CE1-CD2 3.49Å; F50-L90 VanDerWaalsContact CE1-CD2 3.49Å; F50-L90 HydrophobicContact CE1-CG 4.43Å; F50-L90 HydrophobicContact CE2-CD1 4.27Å; F50-L90 HydrophobicContact CE2-CD2 3.66Å; F50-L90 HydrophobicContact CG-CD2 3.63Å; F50-L90 HydrophobicContact CZ-CD1 3.82Å; F50-L90 HydrophobicContact CZ-CD2 3.55Å; F50-L90 HydrophobicContact CZ-CG 4.33Å
51H83.7Confident87.6Confident119 Ų11960 Ų6055%0.55131%0.313SS*.EExtended strand (participates in β ladder)trans-112.4121.4177.7-171.468.7000108.1G53 D56H51-G53 PolarHBondContact CD2-O 2.7Å; H51-G53 PolarHBondContact NE2-O 3.38Å; H51-D56 IonicContact CE1-OD1 3.12Å; H51-D56 IonicContact CG-OD1 2.75Å; H51-D56 IonicContact ND1-OD1 3.14Å; H51-D56 PolarHBondContact ND1-OD1 2.99Å
52S79.3Confident87.8Confident19 Ų1953.6 Ų53.613%0.13329%0.287CS..EExtended strand (participates in β ladder)trans-115.2102.9-178.1-171.60000108.9D54 F55 E114S52-D54 PolarHBondContact O-N 3.31Å; S52-F55 PolarHBondContact N-O 2.97Å; S52-F55 WeakPolarHBondContact O-CD1 3.39Å; S52-F55 WeakPolarHBondContact O-CE1 3.37Å; S52-F55 PolarHBondContact O-N 3.26Å; S52-E114 WeakPolarHBondContact CB-OE2 3.34Å; S52-E114 PolarHBondContact OG-OE2 3.28Å
53G76.3Confident87.9Confident62 Ų6251.8 Ų51.864%0.63928%0.28SS*.THydrogen-bonded Turntrans59-103.6-178.400000112.2H51H51-G53 PolarHBondContact CD2-O 2.7Å; H51-G53 PolarHBondContact NE2-O 3.38Å
54D76.4Confident87.9Confident152 Ų15251.4 Ų51.481%0.81328%0.28SS*.THydrogen-bonded Turntrans-102.5-2.7-175.8-61.5-37.6000113.9S52S52-D54 PolarHBondContact O-N 3.31Å
55F82.8Confident87.6Confident58 Ų5852.4 Ų52.425%0.25428%0.283SS..EExtended strand (participates in β ladder)trans-130.9147.5-173.559-92.2000113.7L19 S33 Y35 S52 V57L19-F55 HydrophobicContact CD1-CE2 3.87Å; L19-F55 HydrophobicContact CD1-CZ 4.43Å; S33-F55 VanDerWaalsContact O-CA 3.24Å; S33-F55 WeakPolarHBondContact O-CA 3.27Å; S33-F55 WeakPolarHBondContact O-CB 3.13Å; Y35-F55 HydrophobicContact CD2-CB 4.4Å; Y35-F55 AromaticContact CD2-CD2 3.57Å; Y35-F55 HydrophobicContact CD2-CD2 3.57Å; Y35-F55 HydrophobicContact CD2-CE2 4.06Å; Y35-F55 HydrophobicContact CD2-CG 4.11Å; Y35-F55 HydrophobicContact CE2-CB 4.41Å; Y35-F55 AromaticContact CE2-CD2 3.82Å; Y35-F55 HydrophobicContact CE2-CD2 3.82Å; Y35-F55 HydrophobicContact CE2-CE2 4.19Å; Y35-F55 HydrophobicContact CE2-CG 4.01Å; S52-F55 PolarHBondContact N-O 2.97Å; S52-F55 WeakPolarHBondContact O-CD1 3.39Å; S52-F55 WeakPolarHBondContact O-CE1 3.37Å; S52-F55 PolarHBondContact O-N 3.26Å; F55-V57 HydrophobicContact CD2-CG2 3.56Å; F55-V57 HydrophobicContact CE2-CG2 3.52Å
56D88.6Confident87.4Confident46 Ų4658.9 Ų58.925%0.24631%0.311CS..EExtended strand (participates in β ladder)trans-86.5139172.6-884.3000110.1S33 A34 Y35 K49 H51S33-D56 PolarHBondContact O-N 3.5Å; A34-D56 CarbonylContact C-O 3.49Å; A34-D56 VanDerWaalsContact CA-O 3.25Å; A34-D56 WeakPolarHBondContact CA-O 3.15Å; A34-D56 HydrophobicContact CB-CB 3.93Å; Y35-D56 PolarHBondContact N-O 3.07Å; K49-D56 VanDerWaalsContact CE-OD2 3.25Å; K49-D56 WeakPolarHBondContact CE-OD2 3.39Å; K49-D56 IonicContact NZ-OD2 3.82Å; K49-D56 PolarHBondContact NZ-OD2 2.78Å; H51-D56 IonicContact CE1-OD1 3.12Å; H51-D56 IonicContact CG-OD1 2.75Å; H51-D56 IonicContact ND1-OD1 3.14Å; H51-D56 PolarHBondContact ND1-OD1 2.99Å
57V90.3Very high87.2Confident0 Ų060.1 Ų60.10%032%0.317CS..EExtended strand (participates in β ladder)trans-120.8125.4171.3-172.80000109.6L19 V37 F50 F55 F59L19-V57 HydrophobicContact CD1-CG2 4.25Å; L19-V57 HydrophobicContact CD2-CG1 4.31Å; V37-V57 HydrophobicContact CG2-CG1 4.09Å; F50-V57 HydrophobicContact CD1-CB 4.26Å; F50-V57 HydrophobicContact CE1-CB 3.65Å; F50-V57 HydrophobicContact CE1-CG1 3.83Å; F50-V57 HydrophobicContact CE1-CG2 4.47Å; F50-V57 HydrophobicContact CE2-CB 4.1Å; F50-V57 HydrophobicContact CE2-CG2 4.1Å; F50-V57 HydrophobicContact CZ-CB 3.56Å; F50-V57 HydrophobicContact CZ-CG1 3.85Å; F50-V57 HydrophobicContact CZ-CG2 3.89Å; F50-V57 PolarHBondContact N-O 3.02Å; F50-V57 PolarHBondContact O-N 2.96Å; F55-V57 HydrophobicContact CD2-CG2 3.56Å; F55-V57 HydrophobicContact CE2-CG2 3.52Å; V57-F59 HydrophobicContact CG1-CD2 4.09Å; V57-F59 HydrophobicContact CG1-CE2 3.69Å
58V91.4Very high87.1Confident49 Ų4965.6 Ų65.630%0.29734%0.341SS..EExtended strand (participates in β ladder)trans-124115.9179.9-174.60000109.5Y35 V37 K49Y35-V58 PolarHBondContact O-N 3.18Å; V37-V58 PolarHBondContact N-O 3.07Å; K49-V58 HydrophobicContact CD-CG2 3.85Å; K49-V58 HydrophobicContact CG-CG2 3.99Å
59F92.1Very high87Confident12 Ų1262.2 Ų62.25%0.05332%0.323CS..EExtended strand (participates in β ladder)trans-85.9111.4170.6-75.3-101.8000109.6F18 F26 V37 V45 I47 F50 V57 S62F18-F59 HydrophobicContact CD1-CZ 4.48Å; F18-F59 AromaticContact CE1-CE1 3.79Å; F18-F59 HydrophobicContact CE1-CE1 3.79Å; F18-F59 AromaticContact CE1-CZ 3.87Å; F18-F59 HydrophobicContact CE1-CZ 3.87Å; F18-F59 HydrophobicContact CZ-CE1 4.07Å; F18-F59 HydrophobicContact CZ-CZ 4.46Å; F26-F59 HydrophobicContact CE1-CD1 4.41Å; F26-F59 HydrophobicContact CE1-CE1 4.24Å; V37-F59 HydrophobicContact CB-CD1 3.81Å; V37-F59 HydrophobicContact CB-CE1 3.96Å; V37-F59 HydrophobicContact CB-CG 4.13Å; V37-F59 HydrophobicContact CB-CZ 4.37Å; V37-F59 HydrophobicContact CG1-CD1 3.71Å; V37-F59 HydrophobicContact CG1-CE1 3.62Å; V37-F59 HydrophobicContact CG1-CZ 4.33Å; V37-F59 HydrophobicContact CG2-CD1 4.47Å; V37-F59 HydrophobicContact CG2-CE1 4.26Å; V37-F59 HydrophobicContact CG2-CE2 4.34Å; V37-F59 HydrophobicContact CG2-CZ 4.18Å; V37-F59 CarbonylContact O-C 3.33Å; V37-F59 WeakPolarHBondContact O-CA 3.36Å; V45-F59 HydrophobicContact CG1-CB 4.04Å; V45-F59 HydrophobicContact CG1-CD1 3.75Å; V45-F59 HydrophobicContact CG1-CE1 4.46Å; V45-F59 HydrophobicContact CG1-CG 4.03Å; I47-F59 HydrophobicContact CB-CD2 4.08Å; I47-F59 HydrophobicContact CB-CE2 4.47Å; I47-F59 HydrophobicContact CB-CG 4.3Å; I47-F59 HydrophobicContact CD1-CD1 4.27Å; I47-F59 HydrophobicContact CD1-CD2 4.3Å; I47-F59 HydrophobicContact CD1-CE1 3.9Å; I47-F59 HydrophobicContact CD1-CE2 3.96Å; I47-F59 HydrophobicContact CD1-CG 4.45Å; I47-F59 HydrophobicContact CD1-CZ 3.74Å; I47-F59 HydrophobicContact CG2-CD2 3.64Å; I47-F59 HydrophobicContact CG2-CE2 3.85Å; I47-F59 HydrophobicContact CG2-CG 4.35Å; F50-F59 HydrophobicContact CE1-CD2 4.27Å; F50-F59 AromaticContact CE1-CE2 3.88Å; F50-F59 HydrophobicContact CE1-CE2 3.88Å; F50-F59 HydrophobicContact CZ-CE2 4.46Å; V57-F59 HydrophobicContact CG1-CD2 4.09Å; V57-F59 HydrophobicContact CG1-CE2 3.69Å; F59-S62 WeakPolarHBondContact O-CB 3.31Å; F59-S62 PolarHBondContact O-N 3.07Å
60Q90.4Very high86.8Confident70 Ų7060.4 Ų60.433%0.32732%0.316SS..EExtended strand (participates in β ladder)trans-69.3142.3173-60.7-175.4-16.500109.6Q36 V37 S62Q36-Q60 VanDerWaalsContact OE1-NE2 3.11Å; V37-Q60 PolarHBondContact O-N 3.01Å; Q60-S62 PolarHBondContact O-N 2.91Å
61N88.2Confident86.6Confident131 Ų13161.6 Ų61.670%0.70132%0.324SS*.THydrogen-bonded Turntrans6020-175.4-54-26.1000114.6
62S91.6Very high86.5Confident35 Ų3561.3 Ų61.325%0.24533%0.326CS..  trans-66.9140.1170.2-177.50000111V45 I47 F59 Q60 G64V45-S62 PolarHBondContact O-OG 3.34Å; V45-S62 VanDerWaalsContact O-OG 3.13Å; I47-S62 PolarHBondContact N-OG 2.84Å; I47-S62 WeakPolarHBondContact O-CB 3.35Å; I47-S62 PolarHBondContact O-OG 3.13Å; F59-S62 WeakPolarHBondContact O-CB 3.31Å; F59-S62 PolarHBondContact O-N 3.07Å; Q60-S62 PolarHBondContact O-N 2.91Å; S62-G64 PolarHBondContact O-N 3.49Å; S62-G64 PolarHBondContact OG-N 3.17Å
63L90.6Very high86.7Confident57 Ų5770 Ų7030%0.29836%0.356SS..  trans-76.7-13.4173.1-62.5175.5000112.1L44 V45 F46 L67 M78L44-L63 HydrophobicContact CD2-CD1 3.9Å; V45-L63 PolarHBondContact O-N 2.58Å; F46-L63 HydrophobicContact CD1-CB 4.17Å; F46-L63 HydrophobicContact CE1-CB 4.15Å; F46-L63 HydrophobicContact CE1-CD1 3.85Å; F46-L63 HydrophobicContact CE2-CD1 4.36Å; F46-L63 HydrophobicContact CZ-CD1 3.76Å; L63-L67 HydrophobicContact CB-CD1 4.4Å; L63-L67 HydrophobicContact CD1-CD2 4.48Å; L63-L67 HydrophobicContact CD2-CD1 4.24Å; L63-M78 HydrophobicContact CD1-CE 4.02Å; L63-M78 HydrophobicContact CD1-SD 4.21Å
64G90.6Very high87.2Confident10 Ų1070.4 Ų70.410%0.10334%0.341CS..  trans66.8175.6-170.200000112.2F46 D48 S62 K66F46-G64 VanDerWaalsContact CD1-O 3.3Å; F46-G64 WeakPolarHBondContact CD1-O 3.48Å; D48-G64 WeakPolarHBondContact OD1-CA 3.39Å; S62-G64 PolarHBondContact O-N 3.49Å; S62-G64 PolarHBondContact OG-N 3.17Å; G64-K66 VanDerWaalsContact C-N 3.32Å; G64-K66 PolarHBondContact O-N 3.21Å
65R87.4Confident87.6Confident32 Ų3264 Ų6412%0.12131%0.306CS..SBendtrans-80.7-12.2-175.7-69.8-166-175.4155.89.5115F46 D48 L90 D178 T182F46-R65 WeakPolarHBondContact O-CG 3.38Å; D48-R65 PolarHBondContact OD1-N 2.55Å; D48-R65 WeakPolarHBondContact OD2-CB 3.42Å; D48-R65 WeakPolarHBondContact OD2-CG 3.49Å; R65-L90 PolarHBondContact NH2-O 2.81Å; R65-D178 VanDerWaalsContact CZ-CB 3.43Å; R65-D178 IonicContact CZ-OD1 2.82Å; R65-D178 IonicContact NH1-OD1 3.65Å; R65-D178 PolarHBondContact NH1-OD1 3.2Å; R65-D178 IonicContact NH1-OD2 2.74Å; R65-D178 VanDerWaalsContact NH2-CB 3.29Å; R65-D178 IonicContact NH2-OD2 3.71Å; R65-T182 PolarHBondContact O-N 3.45Å
66K89.1Confident87.8Confident140 Ų14064.7 Ų64.761%0.60932%0.315SS*.EExtended strand (participates in β ladder)trans-125.489.3-179.2-69.2174.6-176.3165.20108.6G64 T182G64-K66 VanDerWaalsContact C-N 3.32Å; G64-K66 PolarHBondContact O-N 3.21Å; K66-T182 WeakPolarHBondContact CA-O 3.29Å
67L89Confident87.9Confident25 Ų2565.3 Ų65.313%0.13132%0.323CS..EExtended strand (participates in β ladder)trans-83.5129.6175.9-176.966.1000110F46 L63 M69 M78 T182 L183 K184F46-L67 HydrophobicContact CE1-CB 4.46Å; F46-L67 HydrophobicContact CE1-CD2 4.48Å; L63-L67 HydrophobicContact CB-CD1 4.4Å; L63-L67 HydrophobicContact CD1-CD2 4.48Å; L63-L67 HydrophobicContact CD2-CD1 4.24Å; L67-M69 HydrophobicContact CD2-CG 4.38Å; L67-M69 HydrophobicContact CD2-SD 4.4Å; L67-M69 HydrophobicContact CG-CG 4.39Å; L67-M78 HydrophobicContact CD2-CE 3.48Å; L67-M78 VanDerWaalsContact CD2-CE 3.48Å; L67-M78 HydrophobicContact CD2-CG 3.73Å; L67-M78 HydrophobicContact CD2-SD 3.56Å; L67-M78 VanDerWaalsContact CD2-SD 3.56Å; L67-T182 PolarHBondContact N-O 2.89Å; L67-L183 HydrophobicContact CB-CD2 4.11Å; L67-L183 HydrophobicContact CD2-CD2 4.09Å; L67-K184 PolarHBondContact O-N 2.88Å
68K89.3Confident87.9Confident118 Ų11866.5 Ų66.551%0.51333%0.329SS..EExtended strand (participates in β ladder)trans-106.7134.5172.2-62.6-178.8-177.5175.70109.2K184 Y186K68-K184 CarbonylContact C-O 3.54Å; K68-K184 WeakPolarHBondContact CA-O 3.35Å; K68-K184 HydrophobicContact CG-CB 4.33Å; K68-K184 HydrophobicContact CG-CD 4.37Å; K68-Y186 HydrophobicContact CB-CE2 4.43Å; K68-Y186 HydrophobicContact CD-CE2 4.18Å; K68-Y186 HydrophobicContact CG-CE2 4.16Å
69M87.4Confident87.8Confident5 Ų567.1 Ų67.13%0.02533%0.326CS..EExtended strand (participates in β ladder)trans-124135.8176.6-62.2167.5-68.700107.7L67 E74 Y75 M78 L183 K184 Y185 Y186L67-M69 HydrophobicContact CD2-CG 4.38Å; L67-M69 HydrophobicContact CD2-SD 4.4Å; L67-M69 HydrophobicContact CG-CG 4.39Å; M69-E74 VanDerWaalsContact CA-OE2 3.3Å; M69-E74 WeakPolarHBondContact CA-OE2 3.28Å; M69-E74 HydrophobicContact CB-CB 4.1Å; M69-E74 HydrophobicContact CG-CB 4.26Å; M69-Y75 HydrophobicContact CE-CD2 4.09Å; M69-Y75 HydrophobicContact SD-CD2 4.26Å; M69-M78 HydrophobicContact SD-CB 3.64Å; M69-M78 HydrophobicContact SD-CG 3.85Å; M69-L183 HydrophobicContact CE-CB 3.9Å; M69-K184 PolarHBondContact N-O 2.76Å; M69-Y185 HydrophobicContact CB-CD2 4.32Å; M69-Y186 PolarHBondContact O-N 3.24Å
70H82.6Confident87.9Confident99 Ų9974 Ų7446%0.45836%0.356SS..  trans-111.2-14.6-171.6-70.2-75.9000113.5E74 Y186H70-E74 PolarHBondContact N-OE2 2.66Å; H70-Y186 CarbonylContact C-O 3.57Å
71N82Confident88Confident55 Ų5571.5 Ų71.529%0.29435%0.346SS..SBendtrans-140.8161.9179.957.763.6000111.4W73 E74 Y75 Y185N71-W73 PolarHBondContact O-N 2.82Å; N71-W73 WeakPolarHBondContact OD1-CB 3.46Å; N71-W73 PolarHBondContact OD1-N 2.88Å; N71-E74 VanDerWaalsContact ND2-CD 3.29Å; N71-E74 PolarHBondContact ND2-OE1 2.91Å; N71-E74 PolarHBondContact O-N 3.45Å; N71-E74 WeakPolarHBondContact OD1-CB 3.36Å; N71-E74 WeakPolarHBondContact OD1-CG 3.44Å; N71-E74 PolarHBondContact OD1-N 2.79Å; N71-Y75 PolarHBondContact O-N 3.48Å; N71-Y185 WeakPolarHBondContact O-CE2 3.23Å
72L80.3Confident88.2Confident112 Ų11265.3 Ų65.359%0.58631%0.313SS*.Hα-helixtrans-60.6-33.7-177.9-175.763.4000111.9Y75 T76L72-Y75 HydrophobicContact CD1-CD1 4.22Å; L72-Y75 PolarHBondContact O-N 3.11Å; L72-T76 PolarHBondContact O-N 2.82Å; L72-T76 PolarHBondContact O-OG1 2.82Å; L72-T76 VanDerWaalsContact O-OG1 3.04Å
73W84.1Confident88.2Confident201 Ų20164.3 Ų64.376%0.76130%0.304SS*.Hα-helixtrans-65-46.5179.6176.6-99.2000112.5N71 Y75 T76 S77N71-W73 PolarHBondContact O-N 2.82Å; N71-W73 WeakPolarHBondContact OD1-CB 3.46Å; N71-W73 PolarHBondContact OD1-N 2.88Å; W73-Y75 VanDerWaalsContact C-N 3.27Å; W73-Y75 PolarHBondContact O-N 2.86Å; W73-T76 PolarHBondContact O-N 2.9Å; W73-S77 VanDerWaalsContact O-CB 3.25Å; W73-S77 WeakPolarHBondContact O-CB 3.44Å; W73-S77 PolarHBondContact O-N 2.84Å
74E87.4Confident88.3Confident72 Ų7264.8 Ų64.834%0.33631%0.313SS..Hα-helixtrans-57.6-43.4173.7-78.7168.6-15600110.8M69 H70 N71 M78M69-E74 VanDerWaalsContact CA-OE2 3.3Å; M69-E74 WeakPolarHBondContact CA-OE2 3.28Å; M69-E74 HydrophobicContact CB-CB 4.1Å; M69-E74 HydrophobicContact CG-CB 4.26Å; H70-E74 PolarHBondContact N-OE2 2.66Å; N71-E74 VanDerWaalsContact ND2-CD 3.29Å; N71-E74 PolarHBondContact ND2-OE1 2.91Å; N71-E74 PolarHBondContact O-N 3.45Å; N71-E74 WeakPolarHBondContact OD1-CB 3.36Å; N71-E74 WeakPolarHBondContact OD1-CG 3.44Å; N71-E74 PolarHBondContact OD1-N 2.79Å; E74-M78 WeakPolarHBondContact O-CB 3.41Å; E74-M78 PolarHBondContact O-N 3.35Å
75Y84.7Confident88.5Confident17 Ų1767.3 Ų67.37%0.06732%0.321CS..Hα-helixtrans-62.6-50.1175.2170.3-100.6000112.5M69 N71 L72 W73 S77 M78 R79 I138 Y146 Y185M69-Y75 HydrophobicContact CE-CD2 4.09Å; M69-Y75 HydrophobicContact SD-CD2 4.26Å; N71-Y75 PolarHBondContact O-N 3.48Å; L72-Y75 HydrophobicContact CD1-CD1 4.22Å; L72-Y75 PolarHBondContact O-N 3.11Å; W73-Y75 VanDerWaalsContact C-N 3.27Å; W73-Y75 PolarHBondContact O-N 2.86Å; Y75-S77 VanDerWaalsContact C-N 3.31Å; Y75-S77 PolarHBondContact O-N 3.06Å; Y75-M78 PolarHBondContact O-N 3.16Å; Y75-R79 HydrophobicContact CE2-CB 4.48Å; Y75-R79 WeakPolarHBondContact O-CB 3.33Å; Y75-R79 PolarHBondContact O-N 2.88Å; Y75-R79 WeakPolarHBondContact OH-CD 3.48Å; Y75-R79 PolarHBondContact OH-NH1 3.3Å; Y75-I138 HydrophobicContact CE1-CD1 3.92Å; Y75-I138 HydrophobicContact CE2-CD1 3.69Å; Y75-I138 WeakPolarHBondContact OH-CD1 3.38Å; Y75-Y146 WeakPolarHBondContact CD2-OH 3.39Å; Y75-Y146 HydrophobicContact CE2-CE2 4.37Å; Y75-Y146 WeakPolarHBondContact CE2-OH 3.48Å; Y75-Y146 VanDerWaalsContact CG-OH 3.28Å; Y75-Y185 HydrophobicContact CG-CD2 4.4Å
76T85.9Confident88.7Confident73 Ų7370.5 Ų70.545%0.44833%0.333SS..Hα-helixtrans-61.7-40.6179.3-59.60000111.5L72 W73 K80L72-T76 PolarHBondContact O-N 2.82Å; L72-T76 PolarHBondContact O-OG1 2.82Å; L72-T76 VanDerWaalsContact O-OG1 3.04Å; W73-T76 PolarHBondContact O-N 2.9Å; T76-K80 WeakPolarHBondContact O-CB 3.33Å; T76-K80 PolarHBondContact O-N 2.79Å
77S90.9Very high89Confident58 Ų5863.9 Ų63.941%0.40630%0.304SS..Hα-helixtrans-64.6-44.3175.8-176.30000111.9W73 Y75 K80 S81W73-S77 VanDerWaalsContact O-CB 3.25Å; W73-S77 WeakPolarHBondContact O-CB 3.44Å; W73-S77 PolarHBondContact O-N 2.84Å; Y75-S77 VanDerWaalsContact C-N 3.31Å; Y75-S77 PolarHBondContact O-N 3.06Å; S77-K80 PolarHBondContact O-N 3.25Å; S77-S81 WeakPolarHBondContact O-CB 3.43Å; S77-S81 PolarHBondContact O-N 3.48Å; S77-S81 PolarHBondContact O-OG 3.02Å
78M91.2Very high89.2Confident26 Ų2662.9 Ų62.913%0.12830%0.299CS..Hα-helixtrans-65.6-44.2177.4-174.354.444.500111.6F46 L63 L67 M69 E74 Y75 K80 S81 L82F46-M78 HydrophobicContact CZ-SD 4.36Å; L63-M78 HydrophobicContact CD1-CE 4.02Å; L63-M78 HydrophobicContact CD1-SD 4.21Å; L67-M78 HydrophobicContact CD2-CE 3.48Å; L67-M78 VanDerWaalsContact CD2-CE 3.48Å; L67-M78 HydrophobicContact CD2-CG 3.73Å; L67-M78 HydrophobicContact CD2-SD 3.56Å; L67-M78 VanDerWaalsContact CD2-SD 3.56Å; M69-M78 HydrophobicContact SD-CB 3.64Å; M69-M78 HydrophobicContact SD-CG 3.85Å; E74-M78 WeakPolarHBondContact O-CB 3.41Å; E74-M78 PolarHBondContact O-N 3.35Å; Y75-M78 PolarHBondContact O-N 3.16Å; M78-K80 PolarHBondContact O-N 3.08Å; M78-S81 WeakPolarHBondContact O-CB 3.13Å; M78-S81 PolarHBondContact O-N 2.86Å; M78-S81 VanDerWaalsContact O-N 3.12Å; M78-L82 HydrophobicContact CG-CD1 4.26Å; M78-L82 WeakPolarHBondContact O-CG 3.48Å; M78-L82 PolarHBondContact O-N 3.41Å; M78-L82 HydrophobicContact SD-CG 4.43Å
79R90.1Very high89.4Confident61 Ų6157.2 Ų57.223%0.2327%0.274CS..Hα-helixtrans-55.6-50.8172.9-178.7-174.8-179.1141.2-4110.6Y75 S81 L82 L83 L134 D135Y75-R79 HydrophobicContact CE2-CB 4.48Å; Y75-R79 WeakPolarHBondContact O-CB 3.33Å; Y75-R79 PolarHBondContact O-N 2.88Å; Y75-R79 WeakPolarHBondContact OH-CD 3.48Å; Y75-R79 PolarHBondContact OH-NH1 3.3Å; R79-S81 VanDerWaalsContact C-N 3.25Å; R79-S81 PolarHBondContact O-N 3.46Å; R79-L82 PolarHBondContact O-N 2.95Å; R79-L83 HydrophobicContact CG-CD1 3.91Å; R79-L83 WeakPolarHBondContact O-CG 3.25Å; R79-L83 PolarHBondContact O-N 2.88Å; R79-L134 HydrophobicContact CG-CD1 4.15Å; R79-D135 IonicContact CZ-OD1 3.67Å; R79-D135 IonicContact NH1-OD1 2.73Å; R79-D135 PolarHBondContact NH1-OD1 3.19Å; R79-D135 IonicContact NH2-OD1 2.67Å; R79-D135 PolarHBondContact NH2-OD1 2.85Å; R79-D135 IonicContact NH2-OD2 3.19Å; R79-D135 PolarHBondContact NH2-OD2 2.81Å
80K92.3Very high89.7Confident158 Ų15857.2 Ų57.269%0.68727%0.274SS*.Hα-helixtrans-58.4-40.7177.2-174.2179.7179.2-176.90111.4T76 S77 M78 L83 S84T76-K80 WeakPolarHBondContact O-CB 3.33Å; T76-K80 PolarHBondContact O-N 2.79Å; S77-K80 PolarHBondContact O-N 3.25Å; M78-K80 PolarHBondContact O-N 3.08Å; K80-L83 PolarHBondContact O-N 3.33Å; K80-S84 WeakPolarHBondContact O-CB 3.32Å; K80-S84 PolarHBondContact O-N 3.24Å; K80-S84 PolarHBondContact O-OG 3.3Å
81S93.5Very high90.1Very high17 Ų1752.5 Ų52.512%0.11925%0.252CS..Hα-helixtrans-66.7-45.5179.7-60.20000112S77 M78 R79 L83 S84 K85S77-S81 WeakPolarHBondContact O-CB 3.43Å; S77-S81 PolarHBondContact O-N 3.48Å; S77-S81 PolarHBondContact O-OG 3.02Å; M78-S81 WeakPolarHBondContact O-CB 3.13Å; M78-S81 PolarHBondContact O-N 2.86Å; M78-S81 VanDerWaalsContact O-N 3.12Å; R79-S81 VanDerWaalsContact C-N 3.25Å; R79-S81 PolarHBondContact O-N 3.46Å; S81-L83 PolarHBondContact O-N 3.24Å; S81-S84 PolarHBondContact O-N 3.43Å; S81-S84 PolarHBondContact O-OG 3.36Å; S81-K85 VanDerWaalsContact O-CB 3.28Å; S81-K85 WeakPolarHBondContact O-CB 2.94Å; S81-K85 PolarHBondContact O-N 3.24Å
82L91.5Very high90.4Very high1 Ų150 Ų501%0.00524%0.239CC..Hα-helixtrans-58.6-28.9176.6-73.8167.6000113L44 F46 M78 R79 I87 G121 L134 F181 L183L44-L82 HydrophobicContact CD1-CD2 4.04Å; L44-L82 HydrophobicContact CD1-CG 4.32Å; F46-L82 HydrophobicContact CE2-CD2 3.96Å; F46-L82 HydrophobicContact CZ-CD2 3.94Å; M78-L82 HydrophobicContact CG-CD1 4.26Å; M78-L82 WeakPolarHBondContact O-CG 3.48Å; M78-L82 PolarHBondContact O-N 3.41Å; M78-L82 HydrophobicContact SD-CG 4.43Å; R79-L82 PolarHBondContact O-N 2.95Å; L82-I87 HydrophobicContact CB-CD1 4.49Å; L82-I87 HydrophobicContact CD2-CD1 3.65Å; L82-I87 HydrophobicContact CD2-CG1 4.18Å; L82-G121 WeakPolarHBondContact O-CA 3.43Å; L82-L134 HydrophobicContact CD1-CD1 4.41Å; L82-F181 HydrophobicContact CD2-CE2 4.26Å; L82-F181 HydrophobicContact CD2-CZ 4.34Å; L82-L183 HydrophobicContact CD1-CD1 3.62Å
83L92.4Very high90.7Very high13 Ų1344.7 Ų44.77%0.06821%0.212CC..THydrogen-bonded Turntrans-97.93-175.4-60.2175.5000114.1R79 K80 S81 G121 K127 M130 E131R79-L83 HydrophobicContact CG-CD1 3.91Å; R79-L83 WeakPolarHBondContact O-CG 3.25Å; R79-L83 PolarHBondContact O-N 2.88Å; K80-L83 PolarHBondContact O-N 3.33Å; S81-L83 PolarHBondContact O-N 3.24Å; L83-G121 CarbonylContact C-O 3.56Å; L83-K127 HydrophobicContact CB-CG 4.17Å; L83-K127 HydrophobicContact CD2-CG 4.14Å; L83-M130 HydrophobicContact CD2-CB 3.63Å; L83-M130 HydrophobicContact CD2-CG 3.76Å; L83-E131 HydrophobicContact CD1-CG 3.36Å; L83-E131 HydrophobicContact CD2-CG 3.69Å; L83-E131 HydrophobicContact CG-CG 4.12Å
84S92.9Very high90.6Very high68 Ų6835.2 Ų35.248%0.47618%0.176SC..THydrogen-bonded Turntrans-134.5-30.5-177.656.90000113.6K80 S81K80-S84 WeakPolarHBondContact O-CB 3.32Å; K80-S84 PolarHBondContact O-N 3.24Å; K80-S84 PolarHBondContact O-OG 3.3Å; S81-S84 PolarHBondContact O-N 3.43Å; S81-S84 PolarHBondContact O-OG 3.36Å
85K93.9Very high90.1Very high62 Ų6233.9 Ų33.927%0.2717%0.169SC..SBendtrans-96163.8-177.8-62.7-172.8-178.4-175.40111.4E41 E42 L44 S81 G121E41-K85 WeakPolarHBondContact O-CE 3.35Å; E41-K85 PolarHBondContact O-NZ 3.48Å; E42-K85 VanDerWaalsContact O-CB 3.27Å; E42-K85 WeakPolarHBondContact O-CB 3.25Å; E42-K85 WeakPolarHBondContact O-CG 3.39Å; L44-K85 HydrophobicContact CD1-CB 4.17Å; L44-K85 HydrophobicContact CD2-CD 4.12Å; L44-K85 HydrophobicContact CG-CB 3.95Å; L44-K85 HydrophobicContact CG-CD 4.02Å; S81-K85 VanDerWaalsContact O-CB 3.28Å; S81-K85 WeakPolarHBondContact O-CB 2.94Å; S81-K85 PolarHBondContact O-N 3.24Å; K85-G121 WeakPolarHBondContact O-CA 3.5Å; K85-G121 PolarHBondContact O-N 3.48Å; K85-G121 VanDerWaalsContact O-N 3.11Å
86R93Very high89.2Confident100 Ų10036.4 Ų36.438%0.37718%0.182SC..EExtended strand (participates in β ladder)trans-83.7134171.2-170.5171.9-77.91671.1109.7L44 Y88 S118 I119L44-R86 PolarHBondContact N-O 3.04Å; R86-Y88 HydrophobicContact CB-CE2 3.93Å; R86-Y88 WeakPolarHBondContact CD-OH 3.3Å; R86-Y88 HydrophobicContact CG-CD2 4.32Å; R86-Y88 HydrophobicContact CG-CE2 3.55Å; R86-S118 WeakPolarHBondContact CD-OG 3.39Å; R86-I119 CarbonylContact C-O 3.55Å; R86-I119 WeakPolarHBondContact CA-O 3.43Å
87I93.6Very high87.7Confident0 Ų037.5 Ų37.50%019%0.185CC..EExtended strand (participates in β ladder)trans-106.1130.1-174.4-58.5164.1000108.5L44 F46 L82 V89 S118 I119 M130L44-I87 HydrophobicContact CB-CG1 4.37Å; L44-I87 HydrophobicContact CD1-CG1 4.21Å; L44-I87 CarbonylContact O-C 3.56Å; L44-I87 WeakPolarHBondContact O-CA 3.44Å; F46-I87 HydrophobicContact CD2-CG2 3.7Å; F46-I87 HydrophobicContact CE2-CG2 3.84Å; L82-I87 HydrophobicContact CB-CD1 4.49Å; L82-I87 HydrophobicContact CD2-CD1 3.65Å; L82-I87 HydrophobicContact CD2-CG1 4.18Å; I87-V89 HydrophobicContact CG2-CG2 4.13Å; I87-S118 CarbonylContact O-C 3.5Å; I87-S118 WeakPolarHBondContact O-CA 3.03Å; I87-I119 HydrophobicContact CB-CB 4.31Å; I87-I119 PolarHBondContact N-O 3.49Å; I87-I119 PolarHBondContact O-N 2.9Å; I87-M130 HydrophobicContact CD1-CE 4.21Å
88Y94.1Very high85.6Confident4 Ų439.2 Ų39.22%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-117.5127-180-69-99000110.3F18 P23 F26 N43 L44 F46 R86 V116 L117F18-Y88 HydrophobicContact CE2-CD1 4.22Å; F18-Y88 HydrophobicContact CE2-CE1 4.12Å; P23-Y88 HydrophobicContact CG-CE1 4.13Å; F26-Y88 HydrophobicContact CE2-CD1 4.21Å; F26-Y88 HydrophobicContact CE2-CD2 4.03Å; F26-Y88 AromaticContact CE2-CE1 3.71Å; F26-Y88 HydrophobicContact CE2-CE1 3.71Å; F26-Y88 AromaticContact CE2-CE2 3.52Å; F26-Y88 HydrophobicContact CE2-CE2 3.52Å; F26-Y88 HydrophobicContact CE2-CG 4.35Å; F26-Y88 AromaticContact CE2-CZ 3.34Å; F26-Y88 AromaticContact CZ-CD1 3.9Å; F26-Y88 HydrophobicContact CZ-CD1 3.9Å; F26-Y88 AromaticContact CZ-CD2 3.64Å; F26-Y88 HydrophobicContact CZ-CD2 3.64Å; F26-Y88 AromaticContact CZ-CE1 3.89Å; F26-Y88 HydrophobicContact CZ-CE1 3.89Å; F26-Y88 AromaticContact CZ-CE2 3.65Å; F26-Y88 HydrophobicContact CZ-CE2 3.65Å; F26-Y88 AromaticContact CZ-CG 3.77Å; F26-Y88 HydrophobicContact CZ-CG 3.77Å; F26-Y88 AromaticContact CZ-CZ 3.78Å; N43-Y88 HydrophobicContact CB-CD2 4.23Å; N43-Y88 HydrophobicContact CB-CE2 3.99Å; N43-Y88 WeakPolarHBondContact OD1-CE2 3.34Å; L44-Y88 PolarHBondContact O-N 2.89Å; F46-Y88 PolarHBondContact N-O 3.45Å; R86-Y88 HydrophobicContact CB-CE2 3.93Å; R86-Y88 WeakPolarHBondContact CD-OH 3.3Å; R86-Y88 HydrophobicContact CG-CD2 4.32Å; R86-Y88 HydrophobicContact CG-CE2 3.55Å; Y88-V116 HydrophobicContact CD1-CG1 3.82Å; Y88-L117 CarbonylContact C-O 3.54Å; Y88-L117 WeakPolarHBondContact CA-O 3.45Å
89V93.6Very high83.5Confident0 Ų043.7 Ų43.70%021%0.212CC..EExtended strand (participates in β ladder)trans-133135179.5-171.70000109.1F46 I87 V91 L117 L152 F181F46-V89 HydrophobicContact CB-CG2 4.36Å; I87-V89 HydrophobicContact CG2-CG2 4.13Å; V89-V91 HydrophobicContact CG1-CG1 4.24Å; V89-L117 PolarHBondContact N-O 3.17Å; V89-L117 PolarHBondContact O-N 3.45Å; V89-L152 HydrophobicContact CB-CD1 4.11Å; V89-L152 HydrophobicContact CG1-CD1 4.27Å; V89-L152 HydrophobicContact CG2-CD1 3.76Å; V89-F181 HydrophobicContact CG2-CD1 4.03Å; V89-F181 HydrophobicContact CG2-CE1 4.29Å
90L93.2Very high81.3Confident4 Ų450 Ų502%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-87.4125.9173.3-17780.6000108.6L15 I47 F50 R65 E114 V116L15-L90 HydrophobicContact CD1-CD1 4.27Å; I47-L90 HydrophobicContact CB-CB 4.36Å; I47-L90 HydrophobicContact CD1-CB 4.01Å; I47-L90 HydrophobicContact CG1-CB 3.88Å; I47-L90 HydrophobicContact CG2-CB 3.73Å; I47-L90 HydrophobicContact CG2-CD2 4.23Å; F50-L90 HydrophobicContact CB-CD2 4.45Å; F50-L90 HydrophobicContact CD1-CD2 3.53Å; F50-L90 HydrophobicContact CD2-CD2 3.71Å; F50-L90 HydrophobicContact CE1-CD1 4.27Å; F50-L90 HydrophobicContact CE1-CD2 3.49Å; F50-L90 VanDerWaalsContact CE1-CD2 3.49Å; F50-L90 HydrophobicContact CE1-CG 4.43Å; F50-L90 HydrophobicContact CE2-CD1 4.27Å; F50-L90 HydrophobicContact CE2-CD2 3.66Å; F50-L90 HydrophobicContact CG-CD2 3.63Å; F50-L90 HydrophobicContact CZ-CD1 3.82Å; F50-L90 HydrophobicContact CZ-CD2 3.55Å; F50-L90 HydrophobicContact CZ-CG 4.33Å; R65-L90 PolarHBondContact NH2-O 2.81Å; L90-E114 HydrophobicContact CD1-CB 4.4Å; L90-V116 HydrophobicContact CD1-CG2 4.17Å
91V90.9Very high78.9Confident0 Ų045.7 Ų45.70%024%0.237CC..EExtended strand (participates in β ladder)trans-124.9143.3179.4-56.40000109.5V89 Y115 L117 L156 W176V89-V91 HydrophobicContact CG1-CG1 4.24Å; V91-Y115 PolarHBondContact N-O 3.17Å; V91-Y115 PolarHBondContact O-N 3.37Å; V91-L117 HydrophobicContact CG1-CB 4.42Å; V91-L156 HydrophobicContact CB-CD1 4.11Å; V91-L156 HydrophobicContact CG1-CD1 3.92Å; V91-L156 HydrophobicContact CG2-CD1 4.27Å; V91-L156 HydrophobicContact CG2-CD2 3.9Å; V91-W176 HydrophobicContact CB-CE3 4.33Å; V91-W176 HydrophobicContact CG2-CE3 4.07Å; V91-W176 HydrophobicContact CG2-CZ3 3.84Å
92S89.3Confident76.5Confident4 Ų447.7 Ų47.73%0.02825%0.252CS..EExtended strand (participates in β ladder)trans-118.3126.2-175.9-53.50000109.5K177S92-K177 PolarHBondContact N-O 3.1Å; S92-K177 PolarHBondContact O-N 2.92Å
93L86.4Confident74.6Confident0 Ų058.2 Ų58.20%030%0.297CS..EExtended strand (participates in β ladder)trans-86.4119175-166.269.7000108.8L112 Q113 Y115 I165 L169 P174 W176L93-L112 WeakPolarHBondContact O-CB 3.36Å; L93-L112 PolarHBondContact O-N 2.85Å; L93-Q113 WeakPolarHBondContact CB-O 3.45Å; L93-Q113 PolarHBondContact N-O 2.81Å; L93-Q113 PolarHBondContact O-N 3.45Å; L93-Y115 HydrophobicContact CB-CD2 4.47Å; L93-Y115 HydrophobicContact CB-CE2 4.11Å; L93-Y115 HydrophobicContact CD2-CE2 4.23Å; L93-I165 HydrophobicContact CD2-CG2 4.5Å; L93-L169 HydrophobicContact CD2-CB 3.84Å; L93-L169 HydrophobicContact CD2-CD1 3.98Å; L93-L169 HydrophobicContact CD2-CG 4.44Å; L93-P174 HydrophobicContact CD1-CB 3.47Å; L93-P174 VanDerWaalsContact CD1-CB 3.47Å; L93-P174 HydrophobicContact CD1-CG 3.79Å; L93-P174 HydrophobicContact CD2-CB 4.08Å; L93-P174 HydrophobicContact CD2-CG 4.27Å; L93-P174 HydrophobicContact CG-CB 3.61Å; L93-P174 HydrophobicContact CG-CG 4.21Å; L93-W176 HydrophobicContact CB-CZ3 4.27Å; L93-W176 HydrophobicContact CD1-CD2 3.85Å; L93-W176 HydrophobicContact CD1-CE3 3.89Å; L93-W176 HydrophobicContact CD1-CH2 3.75Å; L93-W176 HydrophobicContact CD1-CZ2 3.66Å; L93-W176 HydrophobicContact CD1-CZ3 3.86Å
94C82.8Confident72.5Confident1 Ų166.6 Ų66.61%0.00733%0.333CS..EExtended strand (participates in β ladder)trans-114.6148.2-176.7-59.20000111.7P109 R110 P174 T175C94-P109 HydrophobicContact CB-CB 3.92Å; C94-R110 WeakPolarHBondContact CA-O 3.25Å; C94-P174 CarbonylContact O-C 3.54Å; C94-P174 VanDerWaalsContact O-CA 3.24Å; C94-P174 WeakPolarHBondContact O-CA 3.43Å; C94-T175 PolarHBondContact N-O 3.35Å; C94-T175 PolarHBondContact O-N 2.85Å; C94-T175 PolarHBondContact O-OG1 2.73Å
95E76.9Confident70.4Confident44 Ų4466.2 Ų66.221%0.20634%0.34CS..EExtended strand (participates in β ladder)trans-75.8130.9172.9-164.8179-174.800111.1N97 R110 L112E95-N97 HydrophobicContact CG-CB 4.16Å; E95-N97 PolarHBondContact OE1-ND2 3.37Å; E95-R110 PolarHBondContact N-O 2.86Å; E95-L112 HydrophobicContact CB-CD1 4.05Å; E95-L112 HydrophobicContact CB-CD2 4.24Å; E95-L112 HydrophobicContact CB-CG 4.17Å
96Q64.8Low68Low71 Ų7169.6 Ų69.633%0.33237%0.368SS..G310 helixtrans-77-20.8-176.9-172.5160.9-6.500113.8M98 L99 N173 T175Q96-M98 PolarHBondContact O-N 2.88Å; Q96-L99 PolarHBondContact O-N 2.91Å; Q96-N173 WeakPolarHBondContact CB-O 3.28Å; Q96-N173 PolarHBondContact OE1-ND2 2.87Å; Q96-N173 PolarHBondContact OE1-O 3.42Å; Q96-N173 VanDerWaalsContact OE1-O 3.09Å; Q96-T175 HydrophobicContact CB-CG2 4.11Å; Q96-T175 HydrophobicContact CG-CG2 4.02Å
97N54.3Low66.1Low95 Ų9568.3 Ų68.351%0.50837%0.368SS..G310 helixtrans-61.3-0.5-170.3-72.8-33.4000116.6E95E95-N97 HydrophobicContact CG-CB 4.16Å; E95-N97 PolarHBondContact OE1-ND2 3.37Å
98M47.6Very low64.4Low95 Ų9576.4 Ų76.447%0.46841%0.406SS..G310 helixtrans-122.5-4-177.5-65.9-71.4143.200114.6Q96 E100 I107Q96-M98 PolarHBondContact O-N 2.88Å; M98-E100 VanDerWaalsContact C-N 3.26Å; M98-E100 PolarHBondContact O-N 3.35Å; M98-I107 HydrophobicContact CB-CG2 4.45Å
99L46.9Very low62.9Low120 Ų12078.4 Ų78.463%0.62842%0.419SS*.SBendtrans-71.1-23176.3-75.8169.8000112.7Q96Q96-L99 PolarHBondContact O-N 2.91Å
100E42.9Very low61.8Low193 Ų19387.5 Ų87.590%0.90245%0.453SS*.SBendtrans-101.9-2.7-177.8-63-165.2166.700114.6M98M98-E100 VanDerWaalsContact C-N 3.26Å; M98-E100 PolarHBondContact O-N 3.35Å
101A42.4Very low61Low67 Ų6790.5 Ų90.555%0.55447%0.472SS*.SBendtrans-127.945.5-168.300000115.1
102S42.7Very low60.5Low60 Ų6093.3 Ų93.342%0.4249%0.486SS..  trans-158.3130.9142.9104.80000113.9K104 I107S102-K104 PolarHBondContact O-N 3.45Å; S102-K104 PolarHBondContact OG-N 2.85Å; S102-K104 PolarHBondContact OG-O 3.12Å; S102-I107 WeakPolarHBondContact OG-CD1 3.42Å; S102-I107 VanDerWaalsContact OG-CG1 3.3Å; S102-I107 WeakPolarHBondContact OG-CG1 3.48Å
103K51.5Low60.4Low221 Ų22195.7 Ų95.796%0.96150%0.497SS*.SBendtrans-81.523.9166.7-77.8-176.4172.9177.50112.9
104K49.2Very low60.5Low190 Ų19096.8 Ų96.883%0.82650%0.502SS*.SBendtrans-145.1106.3178.7-79.2-171.7176.3178.70112.5S102S102-K104 PolarHBondContact O-N 3.45Å; S102-K104 PolarHBondContact OG-N 2.85Å; S102-K104 PolarHBondContact OG-O 3.12Å
105G49.6Very low60.9Low59 Ų5997.4 Ų97.461%0.60851%0.505SS*.SBendtrans82.9161.4167.700000115I107G105-I107 PolarHBondContact O-N 3.11Å
106P41.8Very low61.6Low133 Ų13395.4 Ų95.486%0.86450%0.495SS*.  trans-71.195.1177.229.3-30.6000108.7Q108P106-Q108 PolarHBondContact O-N 3.27Å
107I54.1Low62.9Low73 Ų7392 Ų9237%0.37448%0.48SS..  trans-65.4115170.7-52.7170.8000106.8M98 S102 G105M98-I107 HydrophobicContact CB-CG2 4.45Å; S102-I107 WeakPolarHBondContact OG-CD1 3.42Å; S102-I107 VanDerWaalsContact OG-CG1 3.3Å; S102-I107 WeakPolarHBondContact OG-CG1 3.48Å; G105-I107 PolarHBondContact O-N 3.11Å
108Q56.8Low64.6Low171 Ų17187.7 Ų87.780%0.79946%0.457SS*.  trans-70.4128.8170.5-67.2-164.412.600108.6P106 R110P106-Q108 PolarHBondContact O-N 3.27Å; Q108-R110 PolarHBondContact O-N 3.23Å
109P62.9Low66.7Low45 Ų4583.2 Ų83.229%0.29244%0.435SS..  trans-59133.2174.9-410.6000109.1C94 V111C94-P109 HydrophobicContact CB-CB 3.92Å; P109-V111 PolarHBondContact O-N 3.39Å
110R70.3Confident68.8Low191 Ų19179.6 Ų79.672%0.72142%0.416SS*.  trans-69.7115.2173.2-70.7-176177-176.1-1.5108.3C94 E95 Q108 L112C94-R110 WeakPolarHBondContact CA-O 3.25Å; E95-R110 PolarHBondContact N-O 2.86Å; Q108-R110 PolarHBondContact O-N 3.23Å; R110-L112 PolarHBondContact O-N 3.29Å
111V77.3Confident70.9Confident68 Ų6870.5 Ų70.541%0.41237%0.374SS..EExtended strand (participates in β ladder)trans-72.2116.3172.9179.30000107.4P109 E114P109-V111 PolarHBondContact O-N 3.39Å; V111-E114 HydrophobicContact CG1-CG 3.74Å
112L80.7Confident73Confident58 Ų5868.9 Ų68.930%0.30436%0.364SS..EExtended strand (participates in β ladder)trans-76.9-46.5176.4-66173.5000110.4L93 E95 R110 L169L93-L112 WeakPolarHBondContact O-CB 3.36Å; L93-L112 PolarHBondContact O-N 2.85Å; E95-L112 HydrophobicContact CB-CD1 4.05Å; E95-L112 HydrophobicContact CB-CD2 4.24Å; E95-L112 HydrophobicContact CB-CG 4.17Å; R110-L112 PolarHBondContact O-N 3.29Å; L112-L169 HydrophobicContact CB-CD2 4.27Å; L112-L169 HydrophobicContact CD1-CD2 4.46Å
113Q85.8Confident75.2Confident55 Ų5567.5 Ų67.526%0.25735%0.351SS..EExtended strand (participates in β ladder)trans-158145.1-175.4-169.565.346.400110.7E14 L93 Y115 L169E14-Q113 HydrophobicContact CG-CG 4.29Å; E14-Q113 PolarHBondContact OE1-NE2 2.86Å; E14-Q113 VanDerWaalsContact OE1-NE2 3.07Å; L93-Q113 WeakPolarHBondContact CB-O 3.45Å; L93-Q113 PolarHBondContact N-O 2.81Å; L93-Q113 PolarHBondContact O-N 3.45Å; Q113-Y115 HydrophobicContact CB-CE2 3.72Å; Q113-Y115 HydrophobicContact CG-CD2 4.25Å; Q113-Y115 HydrophobicContact CG-CE1 4.21Å; Q113-Y115 HydrophobicContact CG-CE2 3.54Å; Q113-L169 HydrophobicContact CB-CD1 4.05Å; Q113-L169 HydrophobicContact CG-CD1 4.46Å
114E89.9Confident76.9Confident22 Ų2262 Ų6210%0.10334%0.338CS..EExtended strand (participates in β ladder)trans-107.5140.5174.2-64.1179.8122.500111.2L15 S52 L90 V111L15-E114 HydrophobicContact CB-CB 4.05Å; L15-E114 WeakPolarHBondContact CB-O 3.24Å; L15-E114 HydrophobicContact CD2-CB 4.02Å; L15-E114 WeakPolarHBondContact CD2-OE2 3.41Å; L15-E114 PolarHBondContact N-O 3.32Å; S52-E114 WeakPolarHBondContact CB-OE2 3.34Å; S52-E114 PolarHBondContact OG-OE2 3.28Å; L90-E114 HydrophobicContact CD1-CB 4.4Å; V111-E114 HydrophobicContact CG1-CG 3.74Å
115Y90.1Very high78.5Confident15 Ų1556.3 Ų56.36%0.05932%0.316CS..EExtended strand (participates in β ladder)trans-130.4146.3-178.8-63.5-87.8000110.4V12 T13 E14 V91 L93 Q113 I165 L169 W176V12-Y115 HydrophobicContact CG1-CD1 3.54Å; V12-Y115 HydrophobicContact CG1-CE1 4.31Å; V12-Y115 HydrophobicContact CG1-CG 4Å; T13-Y115 CarbonylContact O-C 3.55Å; T13-Y115 WeakPolarHBondContact O-CA 3.19Å; E14-Y115 HydrophobicContact CB-CD1 4.39Å; E14-Y115 HydrophobicContact CB-CE1 4.34Å; V91-Y115 PolarHBondContact N-O 3.17Å; V91-Y115 PolarHBondContact O-N 3.37Å; L93-Y115 HydrophobicContact CB-CD2 4.47Å; L93-Y115 HydrophobicContact CB-CE2 4.11Å; L93-Y115 HydrophobicContact CD2-CE2 4.23Å; Q113-Y115 HydrophobicContact CB-CE2 3.72Å; Q113-Y115 HydrophobicContact CG-CD2 4.25Å; Q113-Y115 HydrophobicContact CG-CE1 4.21Å; Q113-Y115 HydrophobicContact CG-CE2 3.54Å; Y115-I165 HydrophobicContact CE2-CG2 4.42Å; Y115-L169 VanDerWaalsContact OH-CD1 3.31Å; Y115-L169 WeakPolarHBondContact OH-CD1 2.91Å; Y115-W176 HydrophobicContact CD2-CH2 4.3Å; Y115-W176 HydrophobicContact CD2-CZ3 4.03Å; Y115-W176 HydrophobicContact CE2-CH2 4.49Å
116V91.9Very high80.1Confident2 Ų253.6 Ų53.61%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-99.6112.2167-176.70000107.7T13 L15 F18 I47 Y88 L90T13-V116 PolarHBondContact N-O 3.32Å; T13-V116 PolarHBondContact O-N 3.25Å; L15-V116 HydrophobicContact CD1-CG2 4.03Å; F18-V116 HydrophobicContact CB-CG2 4.27Å; F18-V116 HydrophobicContact CD1-CG2 4.31Å; F18-V116 HydrophobicContact CD2-CB 4.02Å; F18-V116 HydrophobicContact CD2-CG1 4.04Å; F18-V116 HydrophobicContact CD2-CG2 4.13Å; F18-V116 HydrophobicContact CE2-CB 4.42Å; F18-V116 HydrophobicContact CE2-CG1 3.94Å; F18-V116 HydrophobicContact CG-CB 4.35Å; F18-V116 HydrophobicContact CG-CG2 3.98Å; I47-V116 HydrophobicContact CD1-CG1 4.47Å; Y88-V116 HydrophobicContact CD1-CG1 3.82Å; L90-V116 HydrophobicContact CD1-CG2 4.17Å
117L91.3Very high82.4Confident0 Ų051.2 Ų51.20%026%0.263CS..EExtended strand (participates in β ladder)trans-84.7127171.8177.265.2000108.6T10 V12 Y88 V89 V91 I119 L152 I155 L156 L159T10-L117 HydrophobicContact CG2-CD1 3.54Å; V12-L117 HydrophobicContact CG2-CB 4.35Å; V12-L117 HydrophobicContact CG2-CD1 3.45Å; V12-L117 VanDerWaalsContact CG2-CD1 3.45Å; Y88-L117 CarbonylContact C-O 3.54Å; Y88-L117 WeakPolarHBondContact CA-O 3.45Å; V89-L117 PolarHBondContact N-O 3.17Å; V89-L117 PolarHBondContact O-N 3.45Å; V91-L117 HydrophobicContact CG1-CB 4.42Å; L117-I119 HydrophobicContact CD1-CG1 4.46Å; L117-I119 HydrophobicContact CD2-CD1 3.98Å; L117-I119 HydrophobicContact CD2-CG1 4.31Å; L117-I119 HydrophobicContact CG-CD1 4.24Å; L117-I119 HydrophobicContact CG-CG1 4.07Å; L117-L152 HydrophobicContact CD2-CB 3.99Å; L117-L152 HydrophobicContact CD2-CD1 3.77Å; L117-L152 HydrophobicContact CD2-CG 4.44Å; L117-I155 HydrophobicContact CD1-CG2 4.46Å; L117-L156 HydrophobicContact CD1-CD2 4.27Å; L117-L156 HydrophobicContact CD2-CD2 3.99Å; L117-L156 HydrophobicContact CD2-CG 4.33Å; L117-L159 HydrophobicContact CD1-CD1 3.85Å
118S91.9Very high83.9Confident4 Ų454.5 Ų54.53%0.02827%0.271CS..EExtended strand (participates in β ladder)trans-116.8126.1175.7144.90000109.6T10 T11 R86 I87T10-S118 CarbonylContact C-O 3.6Å; T10-S118 WeakPolarHBondContact CA-O 3.09Å; T10-S118 WeakPolarHBondContact CG2-O 3.36Å; T11-S118 PolarHBondContact N-O 3.07Å; T11-S118 PolarHBondContact O-N 3.2Å; T11-S118 WeakPolarHBondContact OG1-CB 3.17Å; T11-S118 PolarHBondContact OG1-OG 3.46Å; R86-S118 WeakPolarHBondContact CD-OG 3.39Å; I87-S118 CarbonylContact O-C 3.5Å; I87-S118 WeakPolarHBondContact O-CA 3.03Å
119I90.8Very high85.1Confident1 Ų147.2 Ų47.21%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-122.1121.7-176.3-61.5166000108.2T10 R86 I87 L117 G121 M126 L152 I155T10-I119 HydrophobicContact CG2-CG1 4.23Å; R86-I119 CarbonylContact C-O 3.55Å; R86-I119 WeakPolarHBondContact CA-O 3.43Å; I87-I119 HydrophobicContact CB-CB 4.31Å; I87-I119 PolarHBondContact N-O 3.49Å; I87-I119 PolarHBondContact O-N 2.9Å; L117-I119 HydrophobicContact CD1-CG1 4.46Å; L117-I119 HydrophobicContact CD2-CD1 3.98Å; L117-I119 HydrophobicContact CD2-CG1 4.31Å; L117-I119 HydrophobicContact CG-CD1 4.24Å; L117-I119 HydrophobicContact CG-CG1 4.07Å; I119-G121 PolarHBondContact O-N 3.03Å; I119-G121 VanDerWaalsContact O-N 3.16Å; I119-M126 HydrophobicContact CG2-CE 3.87Å; I119-M126 HydrophobicContact CG2-CG 3.5Å; I119-M126 HydrophobicContact CG2-SD 3.64Å; I119-L152 HydrophobicContact CD1-CD1 3.86Å; I119-L152 HydrophobicContact CD1-CD2 3.69Å; I119-L152 HydrophobicContact CD1-CG 4.37Å; I119-I155 HydrophobicContact CD1-CD1 4.29Å
120N90.7Very high86.3Confident44 Ų4445.2 Ų45.224%0.23522%0.224CC..EExtended strand (participates in β ladder)trans-78.897.4173.4-173.72000111.2G9 G122 N123 M126G9-N120 VanDerWaalsContact O-CB 3.25Å; G9-N120 WeakPolarHBondContact O-CB 3.46Å; G9-N120 PolarHBondContact O-N 3.06Å; G9-N120 VanDerWaalsContact O-N 3.08Å; N120-G122 PolarHBondContact O-N 3.42Å; N120-G122 PolarHBondContact OD1-N 2.92Å; N120-N123 HydrophobicContact CB-CB 4.17Å; N120-N123 VanDerWaalsContact O-CB 3.31Å; N120-N123 WeakPolarHBondContact O-CB 3.31Å; N120-N123 PolarHBondContact O-N 3.29Å; N120-N123 VanDerWaalsContact O-N 3.07Å; N120-N123 PolarHBondContact OD1-N 2.93Å; N120-M126 WeakPolarHBondContact O-CB 3.3Å
121G87.3Confident87.1Confident1 Ų139 Ų391%0.0120%0.203CC..THydrogen-bonded Turntrans-63-23.6176.300000114.1L82 L83 K85 I119 N123 K127L82-G121 WeakPolarHBondContact O-CA 3.43Å; L83-G121 CarbonylContact C-O 3.56Å; K85-G121 WeakPolarHBondContact O-CA 3.5Å; K85-G121 PolarHBondContact O-N 3.48Å; K85-G121 VanDerWaalsContact O-N 3.11Å; I119-G121 PolarHBondContact O-N 3.03Å; I119-G121 VanDerWaalsContact O-N 3.16Å; G121-N123 VanDerWaalsContact C-N 3.35Å; G121-K127 WeakPolarHBondContact O-CB 2.98Å
122G87.1Confident87.5Confident34 Ų3440.5 Ų40.535%0.35120%0.204SC..THydrogen-bonded Turntrans-81.1-8.2174.600000114.5N120N120-G122 PolarHBondContact O-N 3.42Å; N120-G122 PolarHBondContact OD1-N 2.92Å
123N89Confident87.5Confident30 Ų3038 Ų3816%0.1619%0.193CC..SBendtrans-65.2131.5174.3177.5-78.4000109.4N8 N120 G121 M125 M126 K127N8-N123 PolarHBondContact O-ND2 3.01Å; N120-N123 HydrophobicContact CB-CB 4.17Å; N120-N123 VanDerWaalsContact O-CB 3.31Å; N120-N123 WeakPolarHBondContact O-CB 3.31Å; N120-N123 PolarHBondContact O-N 3.29Å; N120-N123 VanDerWaalsContact O-N 3.07Å; N120-N123 PolarHBondContact OD1-N 2.93Å; G121-N123 VanDerWaalsContact C-N 3.35Å; N123-M125 PolarHBondContact O-N 3.37Å; N123-M125 VanDerWaalsContact O-N 3.12Å; N123-M125 WeakPolarHBondContact OD1-CB 3.45Å; N123-M125 PolarHBondContact OD1-N 3.12Å; N123-M126 HydrophobicContact CB-CB 4.16Å; N123-M126 PolarHBondContact O-N 3.3Å; N123-M126 PolarHBondContact OD1-N 2.8Å; N123-K127 WeakPolarHBondContact O-CB 3.31Å; N123-K127 PolarHBondContact O-N 2.97Å
124P86.4Confident87.3Confident105 Ų10535.5 Ų35.568%0.68218%0.181SC*.Hα-helixtrans-53.1-38.6-175-2935000114.6W128P124-W128 WeakPolarHBondContact O-CB 3.4Å; P124-W128 PolarHBondContact O-N 2.75Å; P124-W128 VanDerWaalsContact O-N 3.1Å
125M81.9Confident87Confident72 Ų7238 Ų3836%0.35520%0.195SC..Hα-helixtrans-70.9-52.5-179.8-171.964.3176.300110.9N123 K127 W128 Q129N123-M125 PolarHBondContact O-N 3.37Å; N123-M125 VanDerWaalsContact O-N 3.12Å; N123-M125 WeakPolarHBondContact OD1-CB 3.45Å; N123-M125 PolarHBondContact OD1-N 3.12Å; M125-K127 VanDerWaalsContact C-N 3.3Å; M125-K127 PolarHBondContact O-N 3.2Å; M125-W128 PolarHBondContact O-N 3.01Å; M125-Q129 WeakPolarHBondContact O-CG 3.49Å; M125-Q129 PolarHBondContact O-N 3.15Å; M125-Q129 VanDerWaalsContact O-N 3.07Å
126M83.8Confident86.1Confident2 Ų247.3 Ų47.31%0.0123%0.23CC..Hα-helixtrans-61.2-41.6179.2-175.255.957.200111.7I119 N120 N123 W128 Q129 M130 I155I119-M126 HydrophobicContact CG2-CE 3.87Å; I119-M126 HydrophobicContact CG2-CG 3.5Å; I119-M126 HydrophobicContact CG2-SD 3.64Å; N120-M126 WeakPolarHBondContact O-CB 3.3Å; N123-M126 HydrophobicContact CB-CB 4.16Å; N123-M126 PolarHBondContact O-N 3.3Å; N123-M126 PolarHBondContact OD1-N 2.8Å; M126-W128 PolarHBondContact O-N 3.39Å; M126-Q129 PolarHBondContact O-N 3.12Å; M126-M130 VanDerWaalsContact O-CB 3.3Å; M126-M130 WeakPolarHBondContact O-CB 3.48Å; M126-M130 PolarHBondContact O-N 3.31Å; M126-M130 HydrophobicContact SD-CE 4.34Å; M126-I155 HydrophobicContact CE-CD1 4.1Å
127K89.4Confident84.8Confident83 Ų8347.6 Ų47.636%0.36123%0.232SC..Hα-helixtrans-57-51176.1-175.1176.6175.5-179.70111.3L83 G121 N123 M125 Q129 M130 E131L83-K127 HydrophobicContact CB-CG 4.17Å; L83-K127 HydrophobicContact CD2-CG 4.14Å; G121-K127 WeakPolarHBondContact O-CB 2.98Å; N123-K127 WeakPolarHBondContact O-CB 3.31Å; N123-K127 PolarHBondContact O-N 2.97Å; M125-K127 VanDerWaalsContact C-N 3.3Å; M125-K127 PolarHBondContact O-N 3.2Å; K127-Q129 VanDerWaalsContact C-N 3.34Å; K127-Q129 PolarHBondContact O-N 3.44Å; K127-M130 PolarHBondContact O-N 3.23Å; K127-E131 WeakPolarHBondContact CE-OE1 3.36Å; K127-E131 WeakPolarHBondContact O-CB 3.16Å; K127-E131 WeakPolarHBondContact O-CG 3.41Å; K127-E131 PolarHBondContact O-N 3.18Å
128W85.9Confident83.5Confident141 Ų14149.4 Ų49.453%0.53424%0.241SC..Hα-helixtrans-61.1-42.9179.7179.589.6000111.9P124 M125 M126 E131 K132P124-W128 WeakPolarHBondContact O-CB 3.4Å; P124-W128 PolarHBondContact O-N 2.75Å; P124-W128 VanDerWaalsContact O-N 3.1Å; M125-W128 PolarHBondContact O-N 3.01Å; M126-W128 PolarHBondContact O-N 3.39Å; W128-E131 PolarHBondContact O-N 2.84Å; W128-K132 HydrophobicContact CD2-CG 4.06Å; W128-K132 HydrophobicContact CE3-CG 4.4Å; W128-K132 HydrophobicContact CH2-CG 4.25Å; W128-K132 HydrophobicContact CZ2-CD 4.41Å; W128-K132 HydrophobicContact CZ2-CG 3.9Å; W128-K132 HydrophobicContact CZ3-CG 4.48Å; W128-K132 WeakPolarHBondContact O-CB 3.03Å; W128-K132 VanDerWaalsContact O-CG 3.28Å; W128-K132 WeakPolarHBondContact O-CG 3.46Å; W128-K132 PolarHBondContact O-N 2.77Å
129Q83.7Confident81.6Confident19 Ų1950.7 Ų50.79%0.08925%0.25CS..Hα-helixtrans-64.8-45.2178.9-68178.1-41.100112M125 M126 K127 K132 G133 S207M125-Q129 WeakPolarHBondContact O-CG 3.49Å; M125-Q129 PolarHBondContact O-N 3.15Å; M125-Q129 VanDerWaalsContact O-N 3.07Å; M126-Q129 PolarHBondContact O-N 3.12Å; K127-Q129 VanDerWaalsContact C-N 3.34Å; K127-Q129 PolarHBondContact O-N 3.44Å; Q129-K132 PolarHBondContact O-N 2.94Å; Q129-G133 PolarHBondContact O-N 3.28Å; Q129-S207 PolarHBondContact NE2-O 2.99Å; Q129-S207 PolarHBondContact OE1-O 2.95Å
130M86.3Confident79.7Confident3 Ų356.9 Ų56.92%0.01529%0.294CS..Hα-helixtrans-65.9-41.3177.9-166.173.568.300111.3L83 I87 M126 K127 G133 L134 I150 F204L83-M130 HydrophobicContact CD2-CB 3.63Å; L83-M130 HydrophobicContact CD2-CG 3.76Å; I87-M130 HydrophobicContact CD1-CE 4.21Å; M126-M130 VanDerWaalsContact O-CB 3.3Å; M126-M130 WeakPolarHBondContact O-CB 3.48Å; M126-M130 PolarHBondContact O-N 3.31Å; M126-M130 HydrophobicContact SD-CE 4.34Å; K127-M130 PolarHBondContact O-N 3.23Å; M130-G133 PolarHBondContact O-N 3.3Å; M130-L134 HydrophobicContact CG-CD1 4.1Å; M130-L134 WeakPolarHBondContact O-CB 3.43Å; M130-L134 WeakPolarHBondContact O-CG 3.19Å; M130-L134 PolarHBondContact O-N 3.28Å; M130-I150 HydrophobicContact SD-CD1 3.97Å; M130-I150 HydrophobicContact SD-CG2 4.46Å; M130-F204 HydrophobicContact SD-CE2 4.27Å; M130-F204 HydrophobicContact SD-CZ 4Å
131E87.8Confident77.6Confident61 Ų6157.7 Ų57.729%0.28530%0.3SS..Hα-helixtrans-58.7-50.8173.4-81.4173.5170.800111.3L83 K127 W128 G133 L134 D135L83-E131 HydrophobicContact CD1-CG 3.36Å; L83-E131 HydrophobicContact CD2-CG 3.69Å; L83-E131 HydrophobicContact CG-CG 4.12Å; K127-E131 WeakPolarHBondContact CE-OE1 3.36Å; K127-E131 WeakPolarHBondContact O-CB 3.16Å; K127-E131 WeakPolarHBondContact O-CG 3.41Å; K127-E131 PolarHBondContact O-N 3.18Å; W128-E131 PolarHBondContact O-N 2.84Å; E131-G133 PolarHBondContact O-N 2.82Å; E131-L134 PolarHBondContact O-N 3.22Å; E131-D135 WeakPolarHBondContact O-CB 3.3Å; E131-D135 VanDerWaalsContact O-CG 3.3Å; E131-D135 PolarHBondContact O-N 3.33Å
132K85.3Confident76Confident98 Ų9862.5 Ų62.543%0.42634%0.34SS..Hα-helixtrans-61.4-44178.7-72.3-65.4-179.6-170.10112.4W128 Q129 D135 W136W128-K132 HydrophobicContact CD2-CG 4.06Å; W128-K132 HydrophobicContact CE3-CG 4.4Å; W128-K132 HydrophobicContact CH2-CG 4.25Å; W128-K132 HydrophobicContact CZ2-CD 4.41Å; W128-K132 HydrophobicContact CZ2-CG 3.9Å; W128-K132 HydrophobicContact CZ3-CG 4.48Å; W128-K132 WeakPolarHBondContact O-CB 3.03Å; W128-K132 VanDerWaalsContact O-CG 3.28Å; W128-K132 WeakPolarHBondContact O-CG 3.46Å; W128-K132 PolarHBondContact O-N 2.77Å; Q129-K132 PolarHBondContact O-N 2.94Å; K132-D135 PolarHBondContact O-N 3.41Å; K132-W136 WeakPolarHBondContact O-CB 3.3Å; K132-W136 PolarHBondContact O-N 2.97Å
133G81.1Confident74.6Confident7 Ų762.4 Ų62.47%0.07234%0.339CS..Hα-helixtrans-62.1-45.9177.100000112.1Q129 M130 E131 T137 F204Q129-G133 PolarHBondContact O-N 3.28Å; M130-G133 PolarHBondContact O-N 3.3Å; E131-G133 PolarHBondContact O-N 2.82Å; G133-T137 WeakPolarHBondContact O-CB 3.33Å; G133-T137 PolarHBondContact O-N 2.8Å; G133-T137 VanDerWaalsContact O-N 3.1Å; G133-T137 PolarHBondContact O-OG1 3.33Å; G133-F204 VanDerWaalsContact C-CE1 3.48Å
134L82.5Confident73.5Confident1 Ų163.5 Ų63.51%0.00534%0.343CS..Hα-helixtrans-64-42.9176.9-70.4171.9000112R79 L82 M130 E131 T137 I138 V148 L183 F204R79-L134 HydrophobicContact CG-CD1 4.15Å; L82-L134 HydrophobicContact CD1-CD1 4.41Å; M130-L134 HydrophobicContact CG-CD1 4.1Å; M130-L134 WeakPolarHBondContact O-CB 3.43Å; M130-L134 WeakPolarHBondContact O-CG 3.19Å; M130-L134 PolarHBondContact O-N 3.28Å; E131-L134 PolarHBondContact O-N 3.22Å; L134-T137 PolarHBondContact O-N 2.78Å; L134-I138 WeakPolarHBondContact O-CD1 3.43Å; L134-I138 WeakPolarHBondContact O-CG1 3.34Å; L134-I138 PolarHBondContact O-N 3.27Å; L134-I138 VanDerWaalsContact O-N 3.08Å; L134-V148 HydrophobicContact CD2-CG1 4.37Å; L134-L183 HydrophobicContact CD2-CD1 4.26Å; L134-F204 HydrophobicContact CD2-CE1 4.23Å; L134-F204 HydrophobicContact CD2-CZ 4.43Å; L134-F204 HydrophobicContact CG-CE1 4.46Å; L134-F204 HydrophobicContact CG-CZ 4.34Å
135D81.9Confident72.6Confident75 Ų7558.7 Ų58.740%0.40131%0.312SS..Hα-helixtrans-67.4-39179.7-75.5-24.1000113.1R79 E131 K132 T137R79-D135 IonicContact CZ-OD1 3.67Å; R79-D135 IonicContact NH1-OD1 2.73Å; R79-D135 PolarHBondContact NH1-OD1 3.19Å; R79-D135 IonicContact NH2-OD1 2.67Å; R79-D135 PolarHBondContact NH2-OD1 2.85Å; R79-D135 IonicContact NH2-OD2 3.19Å; R79-D135 PolarHBondContact NH2-OD2 2.81Å; E131-D135 WeakPolarHBondContact O-CB 3.3Å; E131-D135 VanDerWaalsContact O-CG 3.3Å; E131-D135 PolarHBondContact O-N 3.33Å; K132-D135 PolarHBondContact O-N 3.41Å; D135-T137 VanDerWaalsContact C-N 3.26Å; D135-T137 PolarHBondContact O-N 3.24Å
136W71.3Confident72.1Confident211 Ų21156.5 Ų56.580%0.79930%0.3SS*.Hα-helixtrans-66.1-32.1172.7-82.13.8000112.7K132 R202K132-W136 WeakPolarHBondContact O-CB 3.3Å; K132-W136 PolarHBondContact O-N 2.97Å; W136-R202 PolarHBondContact O-NH1 2.8Å
137T65.6Low71.8Confident7 Ų759.3 Ų59.34%0.04331%0.31CS..Hα-helixtrans-78.4-27.3-176.2-53.60000112G133 L134 D135 S139 V148 R202 F204G133-T137 WeakPolarHBondContact O-CB 3.33Å; G133-T137 PolarHBondContact O-N 2.8Å; G133-T137 VanDerWaalsContact O-N 3.1Å; G133-T137 PolarHBondContact O-OG1 3.33Å; L134-T137 PolarHBondContact O-N 2.78Å; D135-T137 VanDerWaalsContact C-N 3.26Å; D135-T137 PolarHBondContact O-N 3.24Å; T137-S139 PolarHBondContact O-N 3.42Å; T137-V148 HydrophobicContact CG2-CB 4.09Å; T137-V148 HydrophobicContact CG2-CG1 3.96Å; T137-V148 HydrophobicContact CG2-CG2 3.5Å; T137-V148 VanDerWaalsContact CG2-CG2 3.5Å; T137-R202 HydrophobicContact CG2-CB 3.4Å; T137-R202 HydrophobicContact CG2-CG 4.27Å; T137-R202 VanDerWaalsContact O-CD 3.28Å; T137-R202 WeakPolarHBondContact O-CD 3.46Å; T137-R202 PolarHBondContact O-NH1 2.83Å; T137-R202 VanDerWaalsContact O-NH1 3.07Å; T137-F204 WeakPolarHBondContact OG1-CD1 3.11Å
138I63Low71.3Confident38 Ų3855.4 Ų55.420%0.19529%0.293CS..SBendtrans-90.3111.2-178.4-65.8164.7000108.8Y75 L134 S140 Y146Y75-I138 HydrophobicContact CE1-CD1 3.92Å; Y75-I138 HydrophobicContact CE2-CD1 3.69Å; Y75-I138 WeakPolarHBondContact OH-CD1 3.38Å; L134-I138 WeakPolarHBondContact O-CD1 3.43Å; L134-I138 WeakPolarHBondContact O-CG1 3.34Å; L134-I138 PolarHBondContact O-N 3.27Å; L134-I138 VanDerWaalsContact O-N 3.08Å; I138-S140 PolarHBondContact O-N 2.81Å; I138-Y146 HydrophobicContact CD1-CE2 4.13Å; I138-Y146 HydrophobicContact CG1-CD2 4.28Å; I138-Y146 HydrophobicContact CG1-CE1 4.21Å; I138-Y146 HydrophobicContact CG1-CE2 3.76Å; I138-Y146 HydrophobicContact CG2-CE1 4.4Å
139S53.2Low71.3Confident32 Ų3251.4 Ų51.422%0.22428%0.28CS..  trans-56.4130.5168.1-167.60000108.7T137 V141 E144T137-S139 PolarHBondContact O-N 3.42Å; S139-V141 PolarHBondContact O-N 3.26Å; S139-E144 WeakPolarHBondContact CB-OE2 3.33Å; S139-E144 PolarHBondContact OG-OE2 2.95Å
140S50.5Low71.3Confident131 Ų13150.5 Ų50.592%0.91628%0.276SS*.SBendtrans-63.712.2176.6-48.60000114.3I138I138-S140 PolarHBondContact O-N 2.81Å
141V47.3Very low71.2Confident60 Ų6052.1 Ų52.136%0.36429%0.285SS..  trans-99.8107.8-176.3-171.60000108.3S139 G143 E144S139-V141 PolarHBondContact O-N 3.26Å; V141-G143 PolarHBondContact O-N 3.4Å; V141-E144 HydrophobicContact CB-CG 4.34Å; V141-E144 HydrophobicContact CG1-CG 4.36Å
142A53.6Low71.1Confident103 Ų10349.2 Ų49.285%0.85127%0.272SS*.THydrogen-bonded Turntrans-58.5129.2171.500000109.9
143G57.7Low71Confident32 Ų3245.9 Ų45.933%0.3326%0.261SS..THydrogen-bonded Turntrans115-4.9175.400000116.2V141 S187 A189V141-G143 PolarHBondContact O-N 3.4Å; G143-S187 VanDerWaalsContact CA-OG 3.29Å; G143-S187 WeakPolarHBondContact CA-OG 3.28Å; G143-S187 WeakPolarHBondContact O-CB 3.33Å; G143-S187 PolarHBondContact O-OG 3.13Å; G143-A189 WeakPolarHBondContact O-CB 3.44Å
144E64.6Low71Confident52 Ų5248.5 Ų48.524%0.24327%0.271CS..  trans-94.5137.3-177.2-59.8-174.9153.500112.7S139 V141S139-E144 WeakPolarHBondContact CB-OE2 3.33Å; S139-E144 PolarHBondContact OG-OE2 2.95Å; V141-E144 HydrophobicContact CB-CG 4.34Å; V141-E144 HydrophobicContact CG1-CG 4.36Å
145S68.9Low70.9Confident4 Ų448.4 Ų48.43%0.02827%0.271CS..  trans-80.9130.6164.9-57.60000110.2Y185 Y186 S187 D192 S200S145-Y185 CarbonylContact C-O 3.5Å; S145-Y185 VanDerWaalsContact CA-O 3.23Å; S145-Y185 WeakPolarHBondContact CA-O 3.32Å; S145-Y185 VanDerWaalsContact CB-O 3.27Å; S145-Y185 WeakPolarHBondContact CB-O 3.3Å; S145-Y186 WeakPolarHBondContact OG-CA 3.22Å; S145-S187 PolarHBondContact OG-N 3.03Å; S145-D192 WeakPolarHBondContact CB-OD2 3.2Å; S145-D192 PolarHBondContact N-OD1 3.45Å; S145-D192 PolarHBondContact OG-OD2 2.84Å; S145-S200 WeakPolarHBondContact O-CB 3.2Å
146Y71.6Confident70.9Confident26 Ų2644.9 Ų44.910%0.10225%0.251CS..EExtended strand (participates in β ladder)trans-127.9148.7-179.658.2-93.3000112.1Y75 I138 V148 Y185Y75-Y146 WeakPolarHBondContact CD2-OH 3.39Å; Y75-Y146 HydrophobicContact CE2-CE2 4.37Å; Y75-Y146 WeakPolarHBondContact CE2-OH 3.48Å; Y75-Y146 VanDerWaalsContact CG-OH 3.28Å; I138-Y146 HydrophobicContact CD1-CE2 4.13Å; I138-Y146 HydrophobicContact CG1-CD2 4.28Å; I138-Y146 HydrophobicContact CG1-CE1 4.21Å; I138-Y146 HydrophobicContact CG1-CE2 3.76Å; I138-Y146 HydrophobicContact CG2-CE1 4.4Å; Y146-V148 HydrophobicContact CD2-CG2 3.58Å; Y146-V148 HydrophobicContact CE2-CG2 3.84Å; Y146-Y185 AromaticContact CD1-CD1 3.59Å; Y146-Y185 HydrophobicContact CD1-CD1 3.59Å; Y146-Y185 HydrophobicContact CD1-CE1 4.48Å; Y146-Y185 HydrophobicContact CD1-CG 4.15Å; Y146-Y185 AromaticContact CE1-CD1 3.14Å; Y146-Y185 HydrophobicContact CE1-CD1 3.14Å; Y146-Y185 AromaticContact CE1-CE1 3.9Å; Y146-Y185 HydrophobicContact CE1-CE1 3.9Å; Y146-Y185 AromaticContact CE1-CG 3.52Å; Y146-Y185 HydrophobicContact CE1-CG 3.52Å; Y146-Y185 HydrophobicContact CE2-CG 4.3Å; Y146-Y185 AromaticContact CZ-CD1 3.76Å; Y146-Y185 AromaticContact CZ-CG 3.59Å; Y146-Y185 PolarHBondContact N-O 2.54Å; Y146-Y185 PolarHBondContact O-N 3Å
147R76.9Confident71.3Confident62 Ų6240.5 Ų40.523%0.23424%0.24CC..EExtended strand (participates in β ladder)trans-114.7115.9172.7179.3179.1178.9-140.7-12.5108.2E149 T182 K184 S200 R202R147-E149 IonicContact CZ-OE2 3.84Å; R147-E149 IonicContact NH2-OE2 3.96Å; R147-E149 PolarHBondContact NH2-OE2 2.92Å; R147-E149 VanDerWaalsContact NH2-OE2 3.12Å; R147-T182 HydrophobicContact CG-CG2 3.61Å; R147-T182 PolarHBondContact NH2-OG1 3Å; R147-K184 HydrophobicContact CG-CG 4.15Å; R147-S200 PolarHBondContact N-O 3.26Å; R147-S200 VanDerWaalsContact N-O 3.13Å; R147-R202 PolarHBondContact O-N 3.09Å
148V79.8Confident71.8Confident1 Ų141.5 Ų41.51%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-100.2125.7172.6-174.20000108.6L134 T137 Y146 I150 T182 L183 R202 F204L134-V148 HydrophobicContact CD2-CG1 4.37Å; T137-V148 HydrophobicContact CG2-CB 4.09Å; T137-V148 HydrophobicContact CG2-CG1 3.96Å; T137-V148 HydrophobicContact CG2-CG2 3.5Å; T137-V148 VanDerWaalsContact CG2-CG2 3.5Å; Y146-V148 HydrophobicContact CD2-CG2 3.58Å; Y146-V148 HydrophobicContact CE2-CG2 3.84Å; V148-I150 HydrophobicContact CG1-CG1 4.11Å; V148-T182 CarbonylContact O-C 3.49Å; V148-T182 WeakPolarHBondContact O-CA 3.27Å; V148-L183 HydrophobicContact CB-CB 4.29Å; V148-L183 PolarHBondContact N-O 2.91Å; V148-L183 PolarHBondContact O-N 3.48Å; V148-R202 WeakPolarHBondContact CA-O 3.46Å; V148-F204 HydrophobicContact CG1-CD1 3.9Å; V148-F204 HydrophobicContact CG1-CE1 3.54Å
149E84.5Confident72.5Confident56 Ų5639.7 Ų39.726%0.26224%0.238SC..EExtended strand (participates in β ladder)trans-110.5124.6168-173.8163175.700109.3R147 S180 R202 S203 F204R147-E149 IonicContact CZ-OE2 3.84Å; R147-E149 IonicContact NH2-OE2 3.96Å; R147-E149 PolarHBondContact NH2-OE2 2.92Å; R147-E149 VanDerWaalsContact NH2-OE2 3.12Å; E149-S180 PolarHBondContact OE1-OG 2.93Å; E149-R202 PolarHBondContact N-O 3.18Å; E149-S203 VanDerWaalsContact O-CA 3.28Å; E149-S203 WeakPolarHBondContact O-CA 3.23Å; E149-F204 PolarHBondContact O-N 3.42Å
150I83.6Confident73.6Confident0 Ų038.5 Ų38.50%023%0.23CC..EExtended strand (participates in β ladder)trans-102.7111.5-179.9-61.5169.3000106.6M130 V148 L152 S180 F181 L183 F204 A206M130-I150 HydrophobicContact SD-CD1 3.97Å; M130-I150 HydrophobicContact SD-CG2 4.46Å; V148-I150 HydrophobicContact CG1-CG1 4.11Å; I150-L152 HydrophobicContact CG2-CD2 3.96Å; I150-S180 WeakPolarHBondContact O-CA 3.39Å; I150-S180 VanDerWaalsContact O-CB 3.3Å; I150-S180 WeakPolarHBondContact O-CB 2.94Å; I150-F181 HydrophobicContact CB-CD1 4.35Å; I150-F181 HydrophobicContact CB-CE1 3.94Å; I150-F181 HydrophobicContact CB-CE2 4.26Å; I150-F181 HydrophobicContact CB-CZ 3.89Å; I150-F181 HydrophobicContact CD1-CD2 4.38Å; I150-F181 HydrophobicContact CD1-CE1 4.4Å; I150-F181 HydrophobicContact CD1-CE2 3.48Å; I150-F181 VanDerWaalsContact CD1-CE2 3.48Å; I150-F181 HydrophobicContact CD1-CZ 3.49Å; I150-F181 VanDerWaalsContact CD1-CZ 3.49Å; I150-F181 HydrophobicContact CG1-CE2 4.34Å; I150-F181 HydrophobicContact CG1-CZ 4.25Å; I150-F181 HydrophobicContact CG2-CE1 3.84Å; I150-F181 HydrophobicContact CG2-CZ 3.94Å; I150-F181 PolarHBondContact N-O 3.47Å; I150-F181 PolarHBondContact O-N 3.41Å; I150-L183 HydrophobicContact CD1-CD1 3.88Å; I150-L183 HydrophobicContact CD1-CG 4.41Å; I150-F204 HydrophobicContact CD1-CE1 4.42Å; I150-F204 HydrophobicContact CD1-CZ 4.08Å; I150-F204 HydrophobicContact CG1-CE1 3.8Å; I150-F204 HydrophobicContact CG1-CE2 4.34Å; I150-F204 HydrophobicContact CG1-CZ 3.66Å; I150-F204 HydrophobicContact CG2-CE2 4.4Å; I150-F204 HydrophobicContact CG2-CZ 4.48Å; I150-A206 HydrophobicContact CG2-CB 4.44Å
151D85.1Confident74.7Confident38 Ų3836.5 Ų36.520%0.20322%0.221CC..EExtended strand (participates in β ladder)trans-96.9126179.7-177.312.8000110.6S153 F204 Q205 A206D151-S153 VanDerWaalsContact OD1-CB 3.23Å; D151-S153 WeakPolarHBondContact OD1-CB 3.34Å; D151-S153 PolarHBondContact OD1-N 3.05Å; D151-S153 PolarHBondContact OD1-OG 2.95Å; D151-F204 PolarHBondContact N-O 2.84Å; D151-Q205 HydrophobicContact CB-CG 4.04Å; D151-Q205 WeakPolarHBondContact O-CA 3.02Å; D151-A206 PolarHBondContact O-N 2.82Å
152L85.4Confident75.9Confident0 Ų038.7 Ų38.70%023%0.228CC..  trans-1065.3-177.7-49.4172.9000112V89 L117 I119 I150 E154 I155 L156 A179 F181 A206V89-L152 HydrophobicContact CB-CD1 4.11Å; V89-L152 HydrophobicContact CG1-CD1 4.27Å; V89-L152 HydrophobicContact CG2-CD1 3.76Å; L117-L152 HydrophobicContact CD2-CB 3.99Å; L117-L152 HydrophobicContact CD2-CD1 3.77Å; L117-L152 HydrophobicContact CD2-CG 4.44Å; I119-L152 HydrophobicContact CD1-CD1 3.86Å; I119-L152 HydrophobicContact CD1-CD2 3.69Å; I119-L152 HydrophobicContact CD1-CG 4.37Å; I150-L152 HydrophobicContact CG2-CD2 3.96Å; L152-E154 VanDerWaalsContact C-N 3.26Å; L152-E154 PolarHBondContact O-N 2.85Å; L152-I155 HydrophobicContact CD2-CD1 4.07Å; L152-I155 WeakPolarHBondContact O-CB 3.33Å; L152-I155 PolarHBondContact O-N 2.63Å; L152-I155 VanDerWaalsContact O-N 3.12Å; L152-L156 WeakPolarHBondContact O-CG 2.97Å; L152-L156 PolarHBondContact O-N 3.45Å; L152-A179 WeakPolarHBondContact CA-O 3.43Å; L152-A179 WeakPolarHBondContact CB-O 3.35Å; L152-A179 WeakPolarHBondContact CG-O 3.3Å; L152-A179 PolarHBondContact N-O 2.67Å; L152-F181 HydrophobicContact CD1-CD1 4.24Å; L152-F181 HydrophobicContact CD1-CE1 4.14Å; L152-F181 HydrophobicContact CD2-CE1 4.49Å; L152-A206 HydrophobicContact CD2-CB 3.9Å
153S83.1Confident76.7Confident28 Ų2835.4 Ų35.420%0.19620%0.203CC..Hα-helixtrans-56.7-38.2-177.1-600000112.8D151 L156 Q157D151-S153 VanDerWaalsContact OD1-CB 3.23Å; D151-S153 WeakPolarHBondContact OD1-CB 3.34Å; D151-S153 PolarHBondContact OD1-N 3.05Å; D151-S153 PolarHBondContact OD1-OG 2.95Å; S153-L156 PolarHBondContact O-N 3.44Å; S153-Q157 VanDerWaalsContact O-CG 3.31Å; S153-Q157 WeakPolarHBondContact O-CG 3.38Å; S153-Q157 PolarHBondContact O-N 3.33Å
154E80.3Confident77.4Confident61 Ų6135.8 Ų35.829%0.28520%0.198SC..Hα-helixtrans-67.7-38.8178.1-64.7-170.8162.200112.8L152 L156 Q157 S158 Q205 S207L152-E154 VanDerWaalsContact C-N 3.26Å; L152-E154 PolarHBondContact O-N 2.85Å; E154-L156 VanDerWaalsContact C-N 3.28Å; E154-L156 PolarHBondContact O-N 3.37Å; E154-Q157 PolarHBondContact O-N 3.5Å; E154-S158 PolarHBondContact O-N 2.94Å; E154-Q205 HydrophobicContact CG-CB 4.45Å; E154-Q205 VanDerWaalsContact OE1-CD 3.26Å; E154-Q205 PolarHBondContact OE1-NE2 3.37Å; E154-Q205 PolarHBondContact OE1-OE1 3.15Å; E154-S207 WeakPolarHBondContact OE2-CA 3.31Å; E154-S207 WeakPolarHBondContact OE2-CB 3.39Å
155I81.3Confident77.7Confident0 Ų033.4 Ų33.40%019%0.187CC..Hα-helixtrans-62.1-42.1173.8-57.1-175.8000109.7T10 L117 I119 M126 L152 Q157 S158 L159 A206T10-I155 HydrophobicContact CG2-CG2 3.8Å; L117-I155 HydrophobicContact CD1-CG2 4.46Å; I119-I155 HydrophobicContact CD1-CD1 4.29Å; M126-I155 HydrophobicContact CE-CD1 4.1Å; L152-I155 HydrophobicContact CD2-CD1 4.07Å; L152-I155 WeakPolarHBondContact O-CB 3.33Å; L152-I155 PolarHBondContact O-N 2.63Å; L152-I155 VanDerWaalsContact O-N 3.12Å; I155-Q157 VanDerWaalsContact C-N 3.34Å; I155-S158 PolarHBondContact O-N 2.96Å; I155-S158 PolarHBondContact O-OG 3.09Å; I155-L159 HydrophobicContact CG2-CD1 3.93Å; I155-L159 HydrophobicContact CG2-CG 4.41Å; I155-L159 WeakPolarHBondContact O-CB 2.76Å; I155-L159 WeakPolarHBondContact O-CD1 3.18Å; I155-L159 WeakPolarHBondContact O-CG 3.44Å; I155-L159 PolarHBondContact O-N 2.85Å; I155-A206 HydrophobicContact CD1-CB 3.84Å; I155-A206 VanDerWaalsContact CD1-O 3.3Å; I155-A206 WeakPolarHBondContact CD1-O 3.09Å; I155-A206 WeakPolarHBondContact CG1-O 3.5Å
156L81.4Confident77.6Confident0 Ų035.5 Ų35.50%020%0.204CC..Hα-helixtrans-67.5-37.1179.2-66168.3000111.9V12 V91 L117 L152 S153 E154 A160 W176 A179V12-L156 HydrophobicContact CG2-CD2 4.4Å; V91-L156 HydrophobicContact CB-CD1 4.11Å; V91-L156 HydrophobicContact CG1-CD1 3.92Å; V91-L156 HydrophobicContact CG2-CD1 4.27Å; V91-L156 HydrophobicContact CG2-CD2 3.9Å; L117-L156 HydrophobicContact CD1-CD2 4.27Å; L117-L156 HydrophobicContact CD2-CD2 3.99Å; L117-L156 HydrophobicContact CD2-CG 4.33Å; L152-L156 WeakPolarHBondContact O-CG 2.97Å; L152-L156 PolarHBondContact O-N 3.45Å; S153-L156 PolarHBondContact O-N 3.44Å; E154-L156 VanDerWaalsContact C-N 3.28Å; E154-L156 PolarHBondContact O-N 3.37Å; L156-A160 VanDerWaalsContact O-CB 3.31Å; L156-A160 WeakPolarHBondContact O-CB 3.33Å; L156-A160 PolarHBondContact O-N 2.9Å; L156-W176 HydrophobicContact CB-CD2 3.76Å; L156-W176 HydrophobicContact CB-CE3 4.32Å; L156-W176 HydrophobicContact CB-CG 3.99Å; L156-W176 HydrophobicContact CB-CZ2 4.07Å; L156-W176 HydrophobicContact CD1-CB 4.11Å; L156-W176 HydrophobicContact CD1-CD2 3.77Å; L156-W176 HydrophobicContact CD1-CE3 3.79Å; L156-W176 HydrophobicContact CD1-CG 3.91Å; L156-W176 HydrophobicContact CD1-CZ3 4.48Å; L156-W176 HydrophobicContact CD2-CE3 4.24Å; L156-W176 HydrophobicContact CD2-CH2 4.3Å; L156-W176 HydrophobicContact CD2-CZ3 4.12Å; L156-W176 HydrophobicContact CG-CD2 4.23Å; L156-W176 HydrophobicContact CG-CE3 4.35Å; L156-A179 HydrophobicContact CD1-CB 3.46Å; L156-A179 VanDerWaalsContact CD1-CB 3.46Å
157Q79.8Confident77.1Confident120 Ų12041.5 Ų41.556%0.56123%0.233SC*.Hα-helixtrans-65.9-42.2174.5-74173.27.100112.1S153 E154 I155 A160 A161S153-Q157 VanDerWaalsContact O-CG 3.31Å; S153-Q157 WeakPolarHBondContact O-CG 3.38Å; S153-Q157 PolarHBondContact O-N 3.33Å; E154-Q157 PolarHBondContact O-N 3.5Å; I155-Q157 VanDerWaalsContact C-N 3.34Å; Q157-A160 PolarHBondContact O-N 3.12Å; Q157-A161 PolarHBondContact O-N 3.1Å
158S77.1Confident76.3Confident28 Ų2845 Ų4520%0.19626%0.256CS..Hα-helixtrans-64.4-44.2176.568.20000111.6E154 I155 A160 A161 E162 Q208E154-S158 PolarHBondContact O-N 2.94Å; I155-S158 PolarHBondContact O-N 2.96Å; I155-S158 PolarHBondContact O-OG 3.09Å; S158-A160 VanDerWaalsContact C-N 3.26Å; S158-A160 PolarHBondContact O-N 2.94Å; S158-A161 WeakPolarHBondContact O-CB 3.34Å; S158-A161 PolarHBondContact O-N 3.27Å; S158-A161 VanDerWaalsContact O-N 3.15Å; S158-E162 WeakPolarHBondContact O-CG 3.39Å; S158-E162 PolarHBondContact O-N 3.25Å; S158-Q208 PolarHBondContact OG-OE1 3.03Å
159L77.5Confident75.4Confident0 Ų046.6 Ų46.60%027%0.265CS..Hα-helixtrans-59.4-37.5175.2-70.4170000112.8L6 T10 V12 L117 I155 E162 L164 I165L6-L159 HydrophobicContact CD1-CD2 3.41Å; L6-L159 VanDerWaalsContact CD1-CD2 3.41Å; L6-L159 HydrophobicContact CD2-CD2 4.19Å; L6-L159 HydrophobicContact CG-CD2 4.29Å; T10-L159 HydrophobicContact CG2-CD1 4.08Å; V12-L159 HydrophobicContact CB-CD1 4.4Å; V12-L159 HydrophobicContact CG2-CD1 3.46Å; V12-L159 VanDerWaalsContact CG2-CD1 3.46Å; L117-L159 HydrophobicContact CD1-CD1 3.85Å; I155-L159 HydrophobicContact CG2-CD1 3.93Å; I155-L159 HydrophobicContact CG2-CG 4.41Å; I155-L159 WeakPolarHBondContact O-CB 2.76Å; I155-L159 WeakPolarHBondContact O-CD1 3.18Å; I155-L159 WeakPolarHBondContact O-CG 3.44Å; I155-L159 PolarHBondContact O-N 2.85Å; L159-E162 PolarHBondContact O-N 2.96Å; L159-L164 HydrophobicContact CD2-CD1 3.72Å; L159-L164 WeakPolarHBondContact O-CB 3.28Å; L159-L164 PolarHBondContact O-N 2.63Å; L159-I165 HydrophobicContact CB-CD1 4.08Å
160A76.5Confident74.5Confident7 Ų747.5 Ų47.56%0.05827%0.27CS..Hα-helixtrans-73.1-35.7178.300000111.9L156 Q157 S158 E162 G163 I165 M170 W176L156-A160 VanDerWaalsContact O-CB 3.31Å; L156-A160 WeakPolarHBondContact O-CB 3.33Å; L156-A160 PolarHBondContact O-N 2.9Å; Q157-A160 PolarHBondContact O-N 3.12Å; S158-A160 VanDerWaalsContact C-N 3.26Å; S158-A160 PolarHBondContact O-N 2.94Å; A160-E162 VanDerWaalsContact C-N 3.3Å; A160-E162 PolarHBondContact O-N 3.25Å; A160-G163 PolarHBondContact O-N 3.07Å; A160-I165 HydrophobicContact CB-CD1 3.83Å; A160-M170 HydrophobicContact CB-CE 3.33Å; A160-M170 HydrophobicContact CB-SD 3.77Å; A160-W176 HydrophobicContact CB-CZ2 4.43Å
161A73.6Confident73.4Confident88 Ų8855.8 Ų55.873%0.72731%0.306SS*.Hα-helixtrans-66.6-30.5173.700000112.7Q157 S158 G163Q157-A161 PolarHBondContact O-N 3.1Å; S158-A161 WeakPolarHBondContact O-CB 3.34Å; S158-A161 PolarHBondContact O-N 3.27Å; S158-A161 VanDerWaalsContact O-N 3.15Å; A161-G163 PolarHBondContact O-N 3.35Å
162E72.3Confident72.2Confident107 Ų10759.4 Ų59.450%0.532%0.318SS..THydrogen-bonded Turntrans-79.23.3175.3-69.7-174.8-147.600113.9L6 S158 L159 A160 L164L6-E162 WeakPolarHBondContact CD1-OE2 3.25Å; S158-E162 WeakPolarHBondContact O-CG 3.39Å; S158-E162 PolarHBondContact O-N 3.25Å; L159-E162 PolarHBondContact O-N 2.96Å; A160-E162 VanDerWaalsContact C-N 3.3Å; A160-E162 PolarHBondContact O-N 3.25Å; E162-L164 HydrophobicContact CB-CD1 4.29Å; E162-L164 HydrophobicContact CB-CG 4.1Å; E162-L164 PolarHBondContact O-N 3.12Å
163G69.7Low71.3Confident33 Ų3364.4 Ų64.434%0.3434%0.344SS..THydrogen-bonded Turntrans71.914177.700000114.1A160 A161 I165A160-G163 PolarHBondContact O-N 3.07Å; A161-G163 PolarHBondContact O-N 3.35Å; G163-I165 PolarHBondContact O-N 3.34Å
164L71.7Confident70.7Confident40 Ų4064 Ų6421%0.20934%0.341CS..  trans-77.9-12.9-178.8-60.1178.6000113.2N4 L6 L159 E162N4-L164 HydrophobicContact CB-CB 3.83Å; N4-L164 HydrophobicContact CB-CD1 4.1Å; N4-L164 HydrophobicContact CB-CD2 3.5Å; N4-L164 VanDerWaalsContact CB-CD2 3.5Å; N4-L164 HydrophobicContact CB-CG 3.97Å; N4-L164 VanDerWaalsContact CG-CD2 3.48Å; N4-L164 WeakPolarHBondContact ND2-CA 3.35Å; N4-L164 PolarHBondContact ND2-O 2.88Å; L6-L164 HydrophobicContact CD1-CD1 3.33Å; L159-L164 HydrophobicContact CD2-CD1 3.72Å; L159-L164 WeakPolarHBondContact O-CB 3.28Å; L159-L164 PolarHBondContact O-N 2.63Å; E162-L164 HydrophobicContact CB-CD1 4.29Å; E162-L164 HydrophobicContact CB-CG 4.1Å; E162-L164 PolarHBondContact O-N 3.12Å
165I72.3Confident70.6Confident2 Ų263 Ų631%0.0134%0.34CS..SBendtrans-109.6140.3172.5-68.8146.4000107.4V12 L93 Y115 L159 A160 G163 E167 W176V12-I165 HydrophobicContact CG1-CG1 4.23Å; L93-I165 HydrophobicContact CD2-CG2 4.5Å; Y115-I165 HydrophobicContact CE2-CG2 4.42Å; L159-I165 HydrophobicContact CB-CD1 4.08Å; A160-I165 HydrophobicContact CB-CD1 3.83Å; G163-I165 PolarHBondContact O-N 3.34Å; I165-E167 PolarHBondContact O-N 2.87Å; I165-E167 VanDerWaalsContact O-N 3.07Å; I165-W176 HydrophobicContact CD1-CH2 3.49Å; I165-W176 VanDerWaalsContact CD1-CH2 3.49Å; I165-W176 HydrophobicContact CD1-CZ2 3.51Å; I165-W176 HydrophobicContact CG1-CH2 4.23Å; I165-W176 HydrophobicContact CG2-CH2 4.48Å
166A66.3Low70.6Confident49 Ų4964.9 Ų64.941%0.40535%0.347SS..  trans-50.6117.6-170.200000112.3N168 L169A166-N168 PolarHBondContact O-N 2.83Å; A166-L169 HydrophobicContact CB-CD1 4.12Å; A166-L169 HydrophobicContact CB-CG 4.36Å; A166-L169 WeakPolarHBondContact O-CB 3.36Å; A166-L169 PolarHBondContact O-N 3.27Å
167E61.5Low70.8Confident152 Ų15269.2 Ų69.271%0.7137%0.365SS*.Hα-helixtrans-53.6-32.3-178.4-64.6178.5174.900112.5I165 L169 M170I165-E167 PolarHBondContact O-N 2.87Å; I165-E167 VanDerWaalsContact O-N 3.07Å; E167-L169 PolarHBondContact O-N 3.19Å; E167-M170 PolarHBondContact O-N 3.04Å
168N59.6Low71Confident134 Ų13466 Ų6672%0.71735%0.352SS*.Hα-helixtrans-60-29.2176.7-66.7-31.1000113.3A166 Y172A166-N168 PolarHBondContact O-N 2.83Å; N168-Y172 WeakPolarHBondContact O-CE2 3.21Å
169L62Low71.3Confident35 Ų3564.9 Ų64.918%0.18334%0.344CS..Hα-helixtrans-84.2-28.5179.3-66.7170.2000112.2L93 L112 Q113 Y115 A166 E167 K171 Y172L93-L169 HydrophobicContact CD2-CB 3.84Å; L93-L169 HydrophobicContact CD2-CD1 3.98Å; L93-L169 HydrophobicContact CD2-CG 4.44Å; L112-L169 HydrophobicContact CB-CD2 4.27Å; L112-L169 HydrophobicContact CD1-CD2 4.46Å; Q113-L169 HydrophobicContact CB-CD1 4.05Å; Q113-L169 HydrophobicContact CG-CD1 4.46Å; Y115-L169 VanDerWaalsContact OH-CD1 3.31Å; Y115-L169 WeakPolarHBondContact OH-CD1 2.91Å; A166-L169 HydrophobicContact CB-CD1 4.12Å; A166-L169 HydrophobicContact CB-CG 4.36Å; A166-L169 WeakPolarHBondContact O-CB 3.36Å; A166-L169 PolarHBondContact O-N 3.27Å; E167-L169 PolarHBondContact O-N 3.19Å; L169-K171 PolarHBondContact O-N 3.02Å; L169-Y172 PolarHBondContact O-N 3.12Å
170M63.6Low71.7Confident76 Ų7666.3 Ų66.337%0.37436%0.355SS..Hα-helixtrans-68.8-20.5178.8-68.2-66.1-84.300112.8A160 E167 Y172 N173 P174A160-M170 HydrophobicContact CB-CE 3.33Å; A160-M170 HydrophobicContact CB-SD 3.77Å; E167-M170 PolarHBondContact O-N 3.04Å; M170-Y172 PolarHBondContact O-N 3.38Å; M170-Y172 VanDerWaalsContact O-N 3.12Å; M170-N173 PolarHBondContact O-N 2.75Å; M170-P174 HydrophobicContact SD-CG 3.82Å
171K61.3Low72.1Confident174 Ų17466 Ų6676%0.75735%0.352SS*.THydrogen-bonded Turntrans-58.2-21.5174.5-170.1176.3179.1-1790113.8L169L169-K171 PolarHBondContact O-N 3.02Å
172Y59.8Low72.7Confident114 Ų11462.1 Ų62.145%0.44732%0.319SS..THydrogen-bonded Turntrans-10115.5-173.5-62.9-83.7000114.5N168 L169 M170N168-Y172 WeakPolarHBondContact O-CE2 3.21Å; L169-Y172 PolarHBondContact O-N 3.12Å; M170-Y172 PolarHBondContact O-N 3.38Å; M170-Y172 VanDerWaalsContact O-N 3.12Å
173N66.2Low73.2Confident104 Ų10457.1 Ų57.156%0.55630%0.296SS*.  trans46.863-174.6-164.430.5000111.9Q96 M170Q96-N173 WeakPolarHBondContact CB-O 3.28Å; Q96-N173 PolarHBondContact OE1-ND2 2.87Å; Q96-N173 PolarHBondContact OE1-O 3.42Å; Q96-N173 VanDerWaalsContact OE1-O 3.09Å; M170-N173 PolarHBondContact O-N 2.75Å
174P70.2Confident73.9Confident20 Ų2057.8 Ų57.813%0.1329%0.289CS..EExtended strand (participates in β ladder)trans-75.9146.7-169.631.9-36.1000112.2L93 C94 M170L93-P174 HydrophobicContact CD1-CB 3.47Å; L93-P174 VanDerWaalsContact CD1-CB 3.47Å; L93-P174 HydrophobicContact CD1-CG 3.79Å; L93-P174 HydrophobicContact CD2-CB 4.08Å; L93-P174 HydrophobicContact CD2-CG 4.27Å; L93-P174 HydrophobicContact CG-CB 3.61Å; L93-P174 HydrophobicContact CG-CG 4.21Å; C94-P174 CarbonylContact O-C 3.54Å; C94-P174 VanDerWaalsContact O-CA 3.24Å; C94-P174 WeakPolarHBondContact O-CA 3.43Å; M170-P174 HydrophobicContact SD-CG 3.82Å
175T79.4Confident74.2Confident41 Ų4157.2 Ų57.225%0.25228%0.284SS..EExtended strand (participates in β ladder)trans-102.7133.917445.70000110.3C94 Q96 K177C94-T175 PolarHBondContact N-O 3.35Å; C94-T175 PolarHBondContact O-N 2.85Å; C94-T175 PolarHBondContact O-OG1 2.73Å; Q96-T175 HydrophobicContact CB-CG2 4.11Å; Q96-T175 HydrophobicContact CG-CG2 4.02Å; T175-K177 PolarHBondContact O-N 2.63Å
176W81.7Confident74.2Confident39 Ų3960.2 Ų60.215%0.14830%0.296CS..EExtended strand (participates in β ladder)trans-77.5117.1171.4-64.5101.2000109V91 L93 Y115 L156 A160 I165 A179V91-W176 HydrophobicContact CB-CE3 4.33Å; V91-W176 HydrophobicContact CG2-CE3 4.07Å; V91-W176 HydrophobicContact CG2-CZ3 3.84Å; L93-W176 HydrophobicContact CB-CZ3 4.27Å; L93-W176 HydrophobicContact CD1-CD2 3.85Å; L93-W176 HydrophobicContact CD1-CE3 3.89Å; L93-W176 HydrophobicContact CD1-CH2 3.75Å; L93-W176 HydrophobicContact CD1-CZ2 3.66Å; L93-W176 HydrophobicContact CD1-CZ3 3.86Å; Y115-W176 HydrophobicContact CD2-CH2 4.3Å; Y115-W176 HydrophobicContact CD2-CZ3 4.03Å; Y115-W176 HydrophobicContact CE2-CH2 4.49Å; L156-W176 HydrophobicContact CB-CD2 3.76Å; L156-W176 HydrophobicContact CB-CE3 4.32Å; L156-W176 HydrophobicContact CB-CG 3.99Å; L156-W176 HydrophobicContact CB-CZ2 4.07Å; L156-W176 HydrophobicContact CD1-CB 4.11Å; L156-W176 HydrophobicContact CD1-CD2 3.77Å; L156-W176 HydrophobicContact CD1-CE3 3.79Å; L156-W176 HydrophobicContact CD1-CG 3.91Å; L156-W176 HydrophobicContact CD1-CZ3 4.48Å; L156-W176 HydrophobicContact CD2-CE3 4.24Å; L156-W176 HydrophobicContact CD2-CH2 4.3Å; L156-W176 HydrophobicContact CD2-CZ3 4.12Å; L156-W176 HydrophobicContact CG-CD2 4.23Å; L156-W176 HydrophobicContact CG-CE3 4.35Å; A160-W176 HydrophobicContact CB-CZ2 4.43Å; I165-W176 HydrophobicContact CD1-CH2 3.49Å; I165-W176 VanDerWaalsContact CD1-CH2 3.49Å; I165-W176 HydrophobicContact CD1-CZ2 3.51Å; I165-W176 HydrophobicContact CG1-CH2 4.23Å; I165-W176 HydrophobicContact CG2-CH2 4.48Å; W176-A179 HydrophobicContact CB-CB 4.32Å
177K84.2Confident74.2Confident90 Ų9059 Ų5939%0.39128%0.284SS..EExtended strand (participates in β ladder)trans-92.1154.2165.2-162.5-170.6170.1-165.80107.6S92 T175 A179S92-K177 PolarHBondContact N-O 3.1Å; S92-K177 PolarHBondContact O-N 2.92Å; T175-K177 PolarHBondContact O-N 2.63Å; K177-A179 PolarHBondContact O-N 3.19Å; K177-A179 VanDerWaalsContact O-N 3.11Å
178D84.3Confident74.1Confident53 Ų5358.6 Ų58.628%0.28329%0.287SS..SBendtrans68.619.9160.1-74.9-31.6000114.2R65 S180R65-D178 VanDerWaalsContact CZ-CB 3.43Å; R65-D178 IonicContact CZ-OD1 2.82Å; R65-D178 IonicContact NH1-OD1 3.65Å; R65-D178 PolarHBondContact NH1-OD1 3.2Å; R65-D178 IonicContact NH1-OD2 2.74Å; R65-D178 VanDerWaalsContact NH2-CB 3.29Å; R65-D178 IonicContact NH2-OD2 3.71Å; D178-S180 PolarHBondContact O-N 3.01Å
179A83.9Confident74Confident4 Ų453.9 Ų53.93%0.03327%0.267CS..  trans-80.310.6-17900000114.5L152 L156 W176 K177L152-A179 WeakPolarHBondContact CA-O 3.43Å; L152-A179 WeakPolarHBondContact CB-O 3.35Å; L152-A179 WeakPolarHBondContact CG-O 3.3Å; L152-A179 PolarHBondContact N-O 2.67Å; L156-A179 HydrophobicContact CD1-CB 3.46Å; L156-A179 VanDerWaalsContact CD1-CB 3.46Å; W176-A179 HydrophobicContact CB-CB 4.32Å; K177-A179 PolarHBondContact O-N 3.19Å; K177-A179 VanDerWaalsContact O-N 3.11Å
180S85.1Confident73.5Confident31 Ų3160.2 Ų60.222%0.21730%0.3CS..EExtended strand (participates in β ladder)trans-129.4150.6179.474.90000112.6E149 I150 D178E149-S180 PolarHBondContact OE1-OG 2.93Å; I150-S180 WeakPolarHBondContact O-CA 3.39Å; I150-S180 VanDerWaalsContact O-CB 3.3Å; I150-S180 WeakPolarHBondContact O-CB 2.94Å; D178-S180 PolarHBondContact O-N 3.01Å
181F85.2Confident72.9Confident1 Ų163.7 Ų63.70%0.00431%0.313CS..EExtended strand (participates in β ladder)trans-128.6152.716765.8-85000110.3F46 L82 V89 I150 L152 L183F46-F181 HydrophobicContact CB-CB 4.12Å; F46-F181 HydrophobicContact CB-CG 4.26Å; F46-F181 HydrophobicContact CD1-CB 4.32Å; F46-F181 AromaticContact CD1-CD2 3.72Å; F46-F181 HydrophobicContact CD1-CD2 3.72Å; F46-F181 HydrophobicContact CD1-CE2 4.31Å; F46-F181 HydrophobicContact CD1-CG 4.18Å; F46-F181 HydrophobicContact CD2-CD2 4.28Å; F46-F181 HydrophobicContact CD2-CE2 4.29Å; F46-F181 AromaticContact CE1-CD2 3.86Å; F46-F181 HydrophobicContact CE1-CD2 3.86Å; F46-F181 HydrophobicContact CE1-CE2 4.1Å; F46-F181 HydrophobicContact CE2-CD2 4.39Å; F46-F181 HydrophobicContact CE2-CE2 4.06Å; F46-F181 HydrophobicContact CE2-CZ 4.46Å; F46-F181 HydrophobicContact CG-CB 4.33Å; F46-F181 AromaticContact CG-CD2 3.96Å; F46-F181 HydrophobicContact CG-CD2 3.96Å; F46-F181 HydrophobicContact CG-CE2 4.42Å; F46-F181 HydrophobicContact CG-CG 4.09Å; F46-F181 HydrophobicContact CZ-CD2 4.2Å; F46-F181 AromaticContact CZ-CE2 3.97Å; F46-F181 HydrophobicContact CZ-CE2 3.97Å; L82-F181 HydrophobicContact CD2-CE2 4.26Å; L82-F181 HydrophobicContact CD2-CZ 4.34Å; V89-F181 HydrophobicContact CG2-CD1 4.03Å; V89-F181 HydrophobicContact CG2-CE1 4.29Å; I150-F181 HydrophobicContact CB-CD1 4.35Å; I150-F181 HydrophobicContact CB-CE1 3.94Å; I150-F181 HydrophobicContact CB-CE2 4.26Å; I150-F181 HydrophobicContact CB-CZ 3.89Å; I150-F181 HydrophobicContact CD1-CD2 4.38Å; I150-F181 HydrophobicContact CD1-CE1 4.4Å; I150-F181 HydrophobicContact CD1-CE2 3.48Å; I150-F181 VanDerWaalsContact CD1-CE2 3.48Å; I150-F181 HydrophobicContact CD1-CZ 3.49Å; I150-F181 VanDerWaalsContact CD1-CZ 3.49Å; I150-F181 HydrophobicContact CG1-CE2 4.34Å; I150-F181 HydrophobicContact CG1-CZ 4.25Å; I150-F181 HydrophobicContact CG2-CE1 3.84Å; I150-F181 HydrophobicContact CG2-CZ 3.94Å; I150-F181 PolarHBondContact N-O 3.47Å; I150-F181 PolarHBondContact O-N 3.41Å; L152-F181 HydrophobicContact CD1-CD1 4.24Å; L152-F181 HydrophobicContact CD1-CE1 4.14Å; L152-F181 HydrophobicContact CD2-CE1 4.49Å; F181-L183 HydrophobicContact CD2-CD2 4.27Å; F181-L183 HydrophobicContact CE2-CD2 4.24Å; F181-L183 HydrophobicContact CE2-CG 4.43Å
182T86Confident72.6Confident5 Ų556.9 Ų56.93%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-115.8130.4-173.6-62.70000110.7R65 K66 L67 R147 V148 K184R65-T182 PolarHBondContact O-N 3.45Å; K66-T182 WeakPolarHBondContact CA-O 3.29Å; L67-T182 PolarHBondContact N-O 2.89Å; R147-T182 HydrophobicContact CG-CG2 3.61Å; R147-T182 PolarHBondContact NH2-OG1 3Å; V148-T182 CarbonylContact O-C 3.49Å; V148-T182 WeakPolarHBondContact O-CA 3.27Å; T182-K184 HydrophobicContact CG2-CG 3.81Å
183L82.8Confident72.1Confident3 Ų355.6 Ų55.62%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-103.6123.9166.2-50.6174.9000108.6F46 L67 M69 L82 L134 V148 I150 F181F46-L183 HydrophobicContact CE1-CD2 4.08Å; F46-L183 HydrophobicContact CZ-CD2 4.47Å; L67-L183 HydrophobicContact CB-CD2 4.11Å; L67-L183 HydrophobicContact CD2-CD2 4.09Å; M69-L183 HydrophobicContact CE-CB 3.9Å; L82-L183 HydrophobicContact CD1-CD1 3.62Å; L134-L183 HydrophobicContact CD2-CD1 4.26Å; V148-L183 HydrophobicContact CB-CB 4.29Å; V148-L183 PolarHBondContact N-O 2.91Å; V148-L183 PolarHBondContact O-N 3.48Å; I150-L183 HydrophobicContact CD1-CD1 3.88Å; I150-L183 HydrophobicContact CD1-CG 4.41Å; F181-L183 HydrophobicContact CD2-CD2 4.27Å; F181-L183 HydrophobicContact CE2-CD2 4.24Å; F181-L183 HydrophobicContact CE2-CG 4.43Å
184K83.9Confident71.4Confident46 Ų4652.8 Ų52.820%0.227%0.27CS..EExtended strand (participates in β ladder)trans-113.1118.7175.6-64.1-175.8177.4-174.80108.7L67 K68 M69 R147 T182 Y186L67-K184 PolarHBondContact O-N 2.88Å; K68-K184 CarbonylContact C-O 3.54Å; K68-K184 WeakPolarHBondContact CA-O 3.35Å; K68-K184 HydrophobicContact CG-CB 4.33Å; K68-K184 HydrophobicContact CG-CD 4.37Å; M69-K184 PolarHBondContact N-O 2.76Å; R147-K184 HydrophobicContact CG-CG 4.15Å; T182-K184 HydrophobicContact CG2-CG 3.81Å; K184-Y186 HydrophobicContact CB-CE2 3.9Å; K184-Y186 HydrophobicContact CD-CE2 4.37Å
185Y79.8Confident70.5Confident28 Ų2855.3 Ų55.311%0.1128%0.279CS..EExtended strand (participates in β ladder)trans-103125.1170177.4-101.1000108.9M69 N71 Y75 S145 Y146M69-Y185 HydrophobicContact CB-CD2 4.32Å; N71-Y185 WeakPolarHBondContact O-CE2 3.23Å; Y75-Y185 HydrophobicContact CG-CD2 4.4Å; S145-Y185 CarbonylContact C-O 3.5Å; S145-Y185 VanDerWaalsContact CA-O 3.23Å; S145-Y185 WeakPolarHBondContact CA-O 3.32Å; S145-Y185 VanDerWaalsContact CB-O 3.27Å; S145-Y185 WeakPolarHBondContact CB-O 3.3Å; Y146-Y185 AromaticContact CD1-CD1 3.59Å; Y146-Y185 HydrophobicContact CD1-CD1 3.59Å; Y146-Y185 HydrophobicContact CD1-CE1 4.48Å; Y146-Y185 HydrophobicContact CD1-CG 4.15Å; Y146-Y185 AromaticContact CE1-CD1 3.14Å; Y146-Y185 HydrophobicContact CE1-CD1 3.14Å; Y146-Y185 AromaticContact CE1-CE1 3.9Å; Y146-Y185 HydrophobicContact CE1-CE1 3.9Å; Y146-Y185 AromaticContact CE1-CG 3.52Å; Y146-Y185 HydrophobicContact CE1-CG 3.52Å; Y146-Y185 HydrophobicContact CE2-CG 4.3Å; Y146-Y185 AromaticContact CZ-CD1 3.76Å; Y146-Y185 AromaticContact CZ-CG 3.59Å; Y146-Y185 PolarHBondContact N-O 2.54Å; Y146-Y185 PolarHBondContact O-N 3Å
186Y71.6Confident69.2Low66 Ų6663.6 Ų63.626%0.25931%0.306SS..  trans-105125.8170.5-67-81.3000108.4K68 M69 H70 S145 K184 H195K68-Y186 HydrophobicContact CB-CE2 4.43Å; K68-Y186 HydrophobicContact CD-CE2 4.18Å; K68-Y186 HydrophobicContact CG-CE2 4.16Å; M69-Y186 PolarHBondContact O-N 3.24Å; H70-Y186 CarbonylContact C-O 3.57Å; S145-Y186 WeakPolarHBondContact OG-CA 3.22Å; K184-Y186 HydrophobicContact CB-CE2 3.9Å; K184-Y186 HydrophobicContact CD-CE2 4.37Å; Y186-H195 AromaticContact CE1-CE1 3.92Å; Y186-H195 AromaticContact CE1-NE2 3.93Å
187S67.1Low67.7Low22 Ų2269.3 Ų69.315%0.15433%0.332CS..  trans-90.4137.9173.1178.40000109G143 S145 A189G143-S187 VanDerWaalsContact CA-OG 3.29Å; G143-S187 WeakPolarHBondContact CA-OG 3.28Å; G143-S187 WeakPolarHBondContact O-CB 3.33Å; G143-S187 PolarHBondContact O-OG 3.13Å; S145-S187 PolarHBondContact OG-N 3.03Å; S187-A189 PolarHBondContact O-N 2.98Å; S187-A189 PolarHBondContact OG-N 3.07Å
188D58.3Low66.1Low144 Ų14467.3 Ų67.377%0.7734%0.338SS*.  trans-70.217.9173.5-69.3-32.6000113.4L190D188-L190 PolarHBondContact O-N 2.98Å
189A56.9Low64.5Low35 Ų3574.8 Ų74.829%0.28936%0.362SS..  trans-71.3119.6177.700000109.9G143 S187 F191G143-A189 WeakPolarHBondContact O-CB 3.44Å; S187-A189 PolarHBondContact O-N 2.98Å; S187-A189 PolarHBondContact OG-N 3.07Å; A189-F191 PolarHBondContact O-N 3.42Å
190L52Low62.9Low168 Ų16875.5 Ų75.588%0.8837%0.366SS*.SBendtrans-56-8173.1-84.2149.9000114.4D188D188-L190 PolarHBondContact O-N 2.98Å
191F51.2Low61.5Low150 Ų15081 Ų8166%0.65839%0.387SS*.  trans-13671.2-176.2-73-68.3000112.2A189 F193A189-F191 PolarHBondContact O-N 3.42Å; F191-F193 VanDerWaalsContact C-N 3.27Å; F191-F193 HydrophobicContact CB-CD2 3.95Å; F191-F193 HydrophobicContact CB-CE2 3.57Å; F191-F193 HydrophobicContact CB-CZ 4.29Å; F191-F193 HydrophobicContact CD1-CD2 4.44Å; F191-F193 HydrophobicContact CD1-CE1 4.2Å; F191-F193 AromaticContact CD1-CE2 3.42Å; F191-F193 HydrophobicContact CD1-CE2 3.42Å; F191-F193 VanDerWaalsContact CD1-CE2 3.42Å; F191-F193 AromaticContact CD1-CZ 3.27Å; F191-F193 HydrophobicContact CD1-CZ 3.27Å; F191-F193 HydrophobicContact CE1-CE2 4.37Å; F191-F193 AromaticContact CE1-CZ 3.91Å; F191-F193 HydrophobicContact CE1-CZ 3.91Å; F191-F193 AromaticContact CG-CE2 3.79Å; F191-F193 HydrophobicContact CG-CE2 3.79Å; F191-F193 HydrophobicContact CG-CZ 4.13Å; F191-F193 PolarHBondContact O-N 3.4Å
192D54.4Low60.4Low30 Ų3086 Ų8616%0.1641%0.405CS..  trans-91.456.1178.7-157.44.7000111.9S145 P194 H195 W196S145-D192 WeakPolarHBondContact CB-OD2 3.2Å; S145-D192 PolarHBondContact N-OD1 3.45Å; S145-D192 PolarHBondContact OG-OD2 2.84Å; D192-P194 VanDerWaalsContact C-CD 3.46Å; D192-H195 HydrophobicContact CB-CB 4.2Å; D192-H195 PolarHBondContact O-N 3.18Å; D192-H195 VanDerWaalsContact OD1-CB 3.31Å; D192-H195 WeakPolarHBondContact OD1-CB 3.14Å; D192-H195 WeakPolarHBondContact OD2-CB 3.31Å; D192-H195 IonicContact OD2-CG 3.56Å; D192-W196 PolarHBondContact O-N 3.08Å; D192-W196 VanDerWaalsContact O-N 3.07Å
193F50.4Low59.1Low88 Ų8890.2 Ų90.239%0.38644%0.435SS..Hα-helixtrans-54.7-44-177.3-63.1-73.1000113.1F191 H195 W196 F197F191-F193 VanDerWaalsContact C-N 3.27Å; F191-F193 HydrophobicContact CB-CD2 3.95Å; F191-F193 HydrophobicContact CB-CE2 3.57Å; F191-F193 HydrophobicContact CB-CZ 4.29Å; F191-F193 HydrophobicContact CD1-CD2 4.44Å; F191-F193 HydrophobicContact CD1-CE1 4.2Å; F191-F193 AromaticContact CD1-CE2 3.42Å; F191-F193 HydrophobicContact CD1-CE2 3.42Å; F191-F193 VanDerWaalsContact CD1-CE2 3.42Å; F191-F193 AromaticContact CD1-CZ 3.27Å; F191-F193 HydrophobicContact CD1-CZ 3.27Å; F191-F193 HydrophobicContact CE1-CE2 4.37Å; F191-F193 AromaticContact CE1-CZ 3.91Å; F191-F193 HydrophobicContact CE1-CZ 3.91Å; F191-F193 AromaticContact CG-CE2 3.79Å; F191-F193 HydrophobicContact CG-CE2 3.79Å; F191-F193 HydrophobicContact CG-CZ 4.13Å; F191-F193 PolarHBondContact O-N 3.4Å; F193-H195 VanDerWaalsContact C-N 3.34Å; F193-H195 PolarHBondContact O-N 2.95Å; F193-W196 PolarHBondContact O-N 3.47Å; F193-F197 HydrophobicContact CB-CD2 4.42Å; F193-F197 HydrophobicContact CB-CE2 4.3Å; F193-F197 HydrophobicContact CD1-CE2 4.48Å; F193-F197 WeakPolarHBondContact O-CD2 3.07Å; F193-F197 PolarHBondContact O-N 3.22Å
194P50.6Low58.3Low45 Ų4591.3 Ų91.329%0.29244%0.44SS..Hα-helixtrans-66.1-32.6-180-20.133.7000113.9D192 G198 R199D192-P194 VanDerWaalsContact C-CD 3.46Å; P194-G198 PolarHBondContact O-N 3.4Å; P194-R199 PolarHBondContact O-N 3.07Å; P194-R199 VanDerWaalsContact O-N 3.15Å
195H51.9Low57.4Low72 Ų7293.9 Ų93.933%0.33345%0.452SS..Hα-helixtrans-68.9-43173.8-170.385.5000111.3Y186 D192 F193 F197 G198 S200Y186-H195 AromaticContact CE1-CE1 3.92Å; Y186-H195 AromaticContact CE1-NE2 3.93Å; D192-H195 HydrophobicContact CB-CB 4.2Å; D192-H195 PolarHBondContact O-N 3.18Å; D192-H195 VanDerWaalsContact OD1-CB 3.31Å; D192-H195 WeakPolarHBondContact OD1-CB 3.14Å; D192-H195 WeakPolarHBondContact OD2-CB 3.31Å; D192-H195 IonicContact OD2-CG 3.56Å; F193-H195 VanDerWaalsContact C-N 3.34Å; F193-H195 PolarHBondContact O-N 2.95Å; H195-F197 VanDerWaalsContact C-N 3.32Å; H195-F197 PolarHBondContact O-N 2.89Å; H195-G198 PolarHBondContact O-N 3.26Å; H195-G198 VanDerWaalsContact O-N 3.09Å; H195-S200 PolarHBondContact ND1-OG 2.9Å
196W51.1Low56.2Low216 Ų21692.8 Ų92.882%0.81845%0.449SS*.Hα-helixtrans-63.8-36.3177.9-158-10.1000112.2D192 F193 G198D192-W196 PolarHBondContact O-N 3.08Å; D192-W196 VanDerWaalsContact O-N 3.07Å; F193-W196 PolarHBondContact O-N 3.47Å; W196-G198 VanDerWaalsContact C-N 3.28Å; W196-G198 PolarHBondContact O-N 3.27Å
197F51.8Low55.2Low158 Ų15891.1 Ų91.169%0.69345%0.447SS*.THydrogen-bonded Turntrans-83.57.2175.1-66.1-64.9000114.5F193 H195 R199F193-F197 HydrophobicContact CB-CD2 4.42Å; F193-F197 HydrophobicContact CB-CE2 4.3Å; F193-F197 HydrophobicContact CD1-CE2 4.48Å; F193-F197 WeakPolarHBondContact O-CD2 3.07Å; F193-F197 PolarHBondContact O-N 3.22Å; H195-F197 VanDerWaalsContact C-N 3.32Å; H195-F197 PolarHBondContact O-N 2.89Å; F197-R199 VanDerWaalsContact C-N 3.34Å; F197-R199 PolarHBondContact O-N 3.24Å
198G50Low53.7Low49 Ų4991.8 Ų91.851%0.50545%0.448SS..THydrogen-bonded Turntrans73.314.1170.400000116.3P194 H195 W196P194-G198 PolarHBondContact O-N 3.4Å; H195-G198 PolarHBondContact O-N 3.26Å; H195-G198 VanDerWaalsContact O-N 3.09Å; W196-G198 VanDerWaalsContact C-N 3.28Å; W196-G198 PolarHBondContact O-N 3.27Å
199R49.7Very low52.6Low210 Ų21089 Ų8979%0.79243%0.432SS*.  trans-93.23.1-178.5-71-173.6178.2162.60.5114.8P194 F197P194-R199 PolarHBondContact O-N 3.07Å; P194-R199 VanDerWaalsContact O-N 3.15Å; F197-R199 VanDerWaalsContact C-N 3.34Å; F197-R199 PolarHBondContact O-N 3.24Å
200S51.9Low51.3Low18 Ų1895.4 Ų95.413%0.12645%0.454CS..  trans-89.35.4-175.763.30000115.5S145 R147 H195S145-S200 WeakPolarHBondContact O-CB 3.2Å; R147-S200 PolarHBondContact N-O 3.26Å; R147-S200 VanDerWaalsContact N-O 3.13Å; H195-S200 PolarHBondContact ND1-OG 2.9Å
201K55.4Low50.2Low148 Ų14895 Ų9564%0.64345%0.452SS*.EExtended strand (participates in β ladder)trans-83.8120.2176.9-63.8179.4-173.5172.10109.4
202R61.9Low48.9Very low105 Ų10592.8 Ų92.840%0.39645%0.454SS..EExtended strand (participates in β ladder)trans-134.4140.7173.3-63.8-172.3-170.5-178.26.2109.6W136 T137 R147 V148 E149W136-R202 PolarHBondContact O-NH1 2.8Å; T137-R202 HydrophobicContact CG2-CB 3.4Å; T137-R202 HydrophobicContact CG2-CG 4.27Å; T137-R202 VanDerWaalsContact O-CD 3.28Å; T137-R202 WeakPolarHBondContact O-CD 3.46Å; T137-R202 PolarHBondContact O-NH1 2.83Å; T137-R202 VanDerWaalsContact O-NH1 3.07Å; R147-R202 PolarHBondContact O-N 3.09Å; V148-R202 WeakPolarHBondContact CA-O 3.46Å; E149-R202 PolarHBondContact N-O 3.18Å
203S58.1Low47.5Very low93 Ų9396.9 Ų96.965%0.6548%0.48SS*.EExtended strand (participates in β ladder)trans-129.3141.7179.953.20000109E149E149-S203 VanDerWaalsContact O-CA 3.28Å; E149-S203 WeakPolarHBondContact O-CA 3.23Å
204F66.4Low46.3Very low26 Ų2698.5 Ų98.511%0.11450%0.499CS..EExtended strand (participates in β ladder)trans-133.3148.4168.672.8-93.8000110.1M130 G133 L134 T137 V148 E149 I150 D151M130-F204 HydrophobicContact SD-CE2 4.27Å; M130-F204 HydrophobicContact SD-CZ 4Å; G133-F204 VanDerWaalsContact C-CE1 3.48Å; L134-F204 HydrophobicContact CD2-CE1 4.23Å; L134-F204 HydrophobicContact CD2-CZ 4.43Å; L134-F204 HydrophobicContact CG-CE1 4.46Å; L134-F204 HydrophobicContact CG-CZ 4.34Å; T137-F204 WeakPolarHBondContact OG1-CD1 3.11Å; V148-F204 HydrophobicContact CG1-CD1 3.9Å; V148-F204 HydrophobicContact CG1-CE1 3.54Å; E149-F204 PolarHBondContact O-N 3.42Å; I150-F204 HydrophobicContact CD1-CE1 4.42Å; I150-F204 HydrophobicContact CD1-CZ 4.08Å; I150-F204 HydrophobicContact CG1-CE1 3.8Å; I150-F204 HydrophobicContact CG1-CE2 4.34Å; I150-F204 HydrophobicContact CG1-CZ 3.66Å; I150-F204 HydrophobicContact CG2-CE2 4.4Å; I150-F204 HydrophobicContact CG2-CZ 4.48Å; D151-F204 PolarHBondContact N-O 2.84Å
205Q65.9Low45.1Very low101 Ų101103.2 Ų103.247%0.47252%0.522SS..EExtended strand (participates in β ladder)trans-89.2133.2175.3-70.8165.9-43.400108.7D151 E154 S207D151-Q205 HydrophobicContact CB-CG 4.04Å; D151-Q205 WeakPolarHBondContact O-CA 3.02Å; E154-Q205 HydrophobicContact CG-CB 4.45Å; E154-Q205 VanDerWaalsContact OE1-CD 3.26Å; E154-Q205 PolarHBondContact OE1-NE2 3.37Å; E154-Q205 PolarHBondContact OE1-OE1 3.15Å; Q205-S207 PolarHBondContact O-N 2.81Å
206A52.8Low43.8Very low4 Ų4108.3 Ų108.33%0.03355%0.546CS..  trans-78.672.2169.500000108.2I150 D151 L152 I155I150-A206 HydrophobicContact CG2-CB 4.44Å; D151-A206 PolarHBondContact O-N 2.82Å; L152-A206 HydrophobicContact CD2-CB 3.9Å; I155-A206 HydrophobicContact CD1-CB 3.84Å; I155-A206 VanDerWaalsContact CD1-O 3.3Å; I155-A206 WeakPolarHBondContact CD1-O 3.09Å; I155-A206 WeakPolarHBondContact CG1-O 3.5Å
207S50.4Low42.7Very low32 Ų32108 Ų10822%0.22455%0.55CS.*  trans-69.3138.3-174.657.90000111.2Q129 E154 Q205 L209Q129-S207 PolarHBondContact NE2-O 2.99Å; Q129-S207 PolarHBondContact OE1-O 2.95Å; E154-S207 WeakPolarHBondContact OE2-CA 3.31Å; E154-S207 WeakPolarHBondContact OE2-CB 3.39Å; Q205-S207 PolarHBondContact O-N 2.81Å; S207-L209 PolarHBondContact O-N 3.4Å
208Q37.1Very low41.6Very low35 Ų35107.6 Ų107.616%0.16455%0.554CS.*  trans-84.995.8161.3-77.9-178.1-9.600108.2L6 N8 S158 F210L6-Q208 VanDerWaalsContact CD2-CD 3.44Å; N8-Q208 WeakPolarHBondContact ND2-CG 3.01Å; N8-Q208 PolarHBondContact ND2-NE2 3.18Å; S158-Q208 PolarHBondContact OG-OE1 3.03Å; Q208-F210 PolarHBondContact O-N 2.94Å; Q208-F210 VanDerWaalsContact O-N 3.12Å
209L34.8Very low40.3Very low86 Ų86112.4 Ų112.445%0.4557%0.568SS.*  trans-90.977.2-176-134.6138.8000109.8S207 C212S207-L209 PolarHBondContact O-N 3.4Å; L209-C212 HydrophobicContact CD2-CB 3.63Å
210F30.3Very low39.3Very low169 Ų169109.4 Ų109.474%0.74157%0.566SS**  trans-91.3127.3139.9-84.3-87.4000106Q208Q208-F210 PolarHBondContact O-N 2.94Å; Q208-F210 VanDerWaalsContact O-N 3.12Å
211L27.2Very low38.1Very low159 Ų159117.2 Ų117.283%0.83260%0.6SS**  trans89.675.6-176.6-49171.2000116
212C25Very low36.9Very low104 Ų104116 Ų11670%0.70361%0.605SS**  trans-129.698.3133.5-82.50000108.4L209L209-C212 HydrophobicContact CD2-CB 3.63Å
213T23.7Very low35.4Very low116 Ų116120.3 Ų120.371%0.71263%0.627SS**  trans-58.6148.8152.242.50000109.1N215T213-N215 VanDerWaalsContact C-N 3.31Å; T213-N215 PolarHBondContact O-N 3.34Å
214P25.5Very low33.8Very low122 Ų122124 Ų12479%0.79263%0.632SS**SBendtrans-81.675.3-169.534.4-34.2000109.6
215N25.5Very low31.9Very low144 Ų144130.7 Ų130.777%0.7766%0.661SS**  trans-154.770.5173-92.6-42.1000111.3T213T213-N215 VanDerWaalsContact C-N 3.31Å; T213-N215 PolarHBondContact O-N 3.34Å
216H24.8Very low30.1Very low179 Ų179130 Ų13083%0.82967%0.667SS**  trans-146.1120.6147.1-119.4-81000109I218H216-I218 PolarHBondContact O-N 3.32Å
217K28.7Very low29Very low210 Ų210133.9 Ų133.991%0.91369%0.693SS**  trans-57.2102.2170.6-81175.9173.8175.20108.3N219K217-N219 PolarHBondContact O-N 3.11Å
218I27.8Very low28.1Very low150 Ų150135.1 Ų135.177%0.76970%0.7SS**  trans-79.7115.3168-63.6171.5000106.3H216 I220H216-I218 PolarHBondContact O-N 3.32Å; I218-I220 PolarHBondContact O-N 3.46Å; I218-I220 VanDerWaalsContact O-N 3.11Å
219N22.4Very low27.7Very low150 Ų150139.4 Ų139.480%0.80272%0.719SS**  trans-70.8104.4179.3-145.2-26.4000108.1K217 Q221K217-N219 PolarHBondContact O-N 3.11Å; N219-Q221 PolarHBondContact O-N 3.44Å
220I29.5Very low27.8Very low146 Ų146140 Ų14075%0.74973%0.726SS**  trans-72.293.1175.9-61.3170.3000107.4I218I218-I220 PolarHBondContact O-N 3.46Å; I218-I220 VanDerWaalsContact O-N 3.11Å
221Q26.1Very low28Very low182 Ų182137.6 Ų137.685%0.8572%0.715SS**  trans-119.758.9159.8-99-166-17.800109.6N219N219-Q221 PolarHBondContact O-N 3.44Å
222V31.1Very low28.3Very low123 Ų123134.8 Ų134.875%0.74570%0.701SS**  trans-137.490.5161.2-178.10000106.6
223F30Very low28.8Very low196 Ų196134.2 Ų134.286%0.8669%0.691SS**SBendtrans-173.9101.8154-107.4-76000105.8
224F25.4Very low29.3Very low170 Ų170132.8 Ų132.875%0.74668%0.682SS**SBendtrans172.6-3.8148.6-111.4-83.5000113.8C228F224-C228 PolarHBondContact O-SG 3.39Å; F224-C228 VanDerWaalsContact O-SG 3.38Å
225F25.7Very low29.6Very low167 Ų167131.2 Ų131.273%0.73267%0.666SS**Hα-helixtrans-88.5-22-174.7-123.4-92.4000115.3
226C27.5Very low29.8Very low86 Ų86129 Ų12958%0.58166%0.661SS**Hα-helixtrans-81.6-35.4-176.1-155.70000113.2C228C226-C228 VanDerWaalsContact C-N 3.32Å; C226-C228 PolarHBondContact O-N 3Å
227C30Very low29.9Very low86 Ų86129 Ų12958%0.58166%0.658SS**Hα-helixtrans-68.3-30.1172.7-81.20000112.8F231C227-F231 WeakPolarHBondContact O-CB 3.39Å; C227-F231 PolarHBondContact O-N 3.44Å
228C31.3Very low29.9Very low57 Ų57125.3 Ų125.339%0.38565%0.647SS.*Hα-helixtrans-75.3-23.4-177.8-69.20000113.8F224 C226 N232F224-C228 PolarHBondContact O-SG 3.39Å; F224-C228 VanDerWaalsContact O-SG 3.38Å; C226-C228 VanDerWaalsContact C-N 3.32Å; C226-C228 PolarHBondContact O-N 3Å; C228-N232 WeakPolarHBondContact O-CB 3.24Å; C228-N232 PolarHBondContact O-N 3.2Å; C228-N232 PolarHBondContact O-ND2 3.24Å
229F30.2Very low29.9Very low125 Ų125126.1 Ų126.155%0.54865%0.646SS.*Hα-helixtrans-82.3-37.1-179-143.2-95.9000112.2F231 N232 L233F229-F231 VanDerWaalsContact C-N 3.34Å; F229-N232 PolarHBondContact O-N 3.31Å; F229-L233 HydrophobicContact CD1-CD1 4.14Å; F229-L233 HydrophobicContact CE1-CD1 3.98Å; F229-L233 PolarHBondContact O-N 3.44Å
230V36.2Very low30.4Very low99 Ų99125.9 Ų125.960%0.665%0.65SS**Hα-helixtrans-68.7-35.4171.1-175.20000110.9T234V230-T234 PolarHBondContact O-N 3.33Å; V230-T234 PolarHBondContact O-OG1 3.41Å
231F35.3Very low30.4Very low118 Ų118123.6 Ų123.652%0.51865%0.653SS.*Hα-helixtrans-70.2-33.5174-100.9-92.2000113.6C227 F229 T234 L235C227-F231 WeakPolarHBondContact O-CB 3.39Å; C227-F231 PolarHBondContact O-N 3.44Å; F229-F231 VanDerWaalsContact C-N 3.34Å; F231-T234 PolarHBondContact O-N 2.98Å; F231-L235 HydrophobicContact CD1-CD1 4.05Å; F231-L235 WeakPolarHBondContact O-CB 3.45Å; F231-L235 VanDerWaalsContact O-CD1 3.24Å; F231-L235 WeakPolarHBondContact O-CD1 3.42Å; F231-L235 PolarHBondContact O-N 3.02Å
232N33.6Very low31Very low100 Ų100123.5 Ų123.554%0.53565%0.653SS.*Hα-helixtrans-72.1-33.3178.9-99.1-61.8000113.7C228 F229 C236C228-N232 WeakPolarHBondContact O-CB 3.24Å; C228-N232 PolarHBondContact O-N 3.2Å; C228-N232 PolarHBondContact O-ND2 3.24Å; F229-N232 PolarHBondContact O-N 3.31Å; N232-C236 WeakPolarHBondContact O-CB 3.5Å; N232-C236 PolarHBondContact O-N 2.77Å; N232-C236 PolarHBondContact O-SG 3.17Å; N232-C236 VanDerWaalsContact O-SG 3.34Å
233L33.8Very low31.1Very low93 Ų93124.2 Ų124.249%0.48766%0.657SS.*Hα-helixtrans-74.1-33.1173-95.5104.7000112.4F229 L235 C236 F237F229-L233 HydrophobicContact CD1-CD1 4.14Å; F229-L233 HydrophobicContact CE1-CD1 3.98Å; F229-L233 PolarHBondContact O-N 3.44Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-C236 PolarHBondContact O-N 3.32Å; L233-F237 PolarHBondContact O-N 3.21Å
234T34.6Very low31.4Very low85 Ų85121.3 Ų121.352%0.52165%0.651SS.*Hα-helixtrans-72.9-29.3175.1-40.30000111.7V230 F231V230-T234 PolarHBondContact O-N 3.33Å; V230-T234 PolarHBondContact O-OG1 3.41Å; F231-T234 PolarHBondContact O-N 2.98Å
235L32.4Very low32.1Very low90 Ų90122.1 Ų122.147%0.47165%0.654SS.*Hα-helixtrans-74.5-30.8169.2-97.999.8000113.4F231 L233 F237 I238F231-L235 HydrophobicContact CD1-CD1 4.05Å; F231-L235 WeakPolarHBondContact O-CB 3.45Å; F231-L235 VanDerWaalsContact O-CD1 3.24Å; F231-L235 WeakPolarHBondContact O-CD1 3.42Å; F231-L235 PolarHBondContact O-N 3.02Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L235-F237 PolarHBondContact O-N 3.38Å; L235-I238 PolarHBondContact O-N 3.28Å
236C28.5Very low32.8Very low96 Ų96122.8 Ų122.865%0.64966%0.657SS**Hα-helixtrans-66.5-24.7177.6-83.20000113.4N232 L233 I238N232-C236 WeakPolarHBondContact O-CB 3.5Å; N232-C236 PolarHBondContact O-N 2.77Å; N232-C236 PolarHBondContact O-SG 3.17Å; N232-C236 VanDerWaalsContact O-SG 3.34Å; L233-C236 PolarHBondContact O-N 3.32Å; C236-I238 VanDerWaalsContact C-N 3.33Å
237F27Very low33.3Very low179 Ų179126 Ų12679%0.78566%0.663SS**THydrogen-bonded Turntrans-84.6-3.1176.3-88.5-81.4000114.4L233 L235L233-F237 PolarHBondContact O-N 3.21Å; L235-F237 PolarHBondContact O-N 3.38Å
238I29.8Very low33.7Very low133 Ų133128.1 Ų128.168%0.68267%0.666SS**SBendtrans-118.851.6177-45177000109.4L235 C236L235-I238 PolarHBondContact O-N 3.28Å; C236-I238 VanDerWaalsContact C-N 3.33Å
239F27.1Very low34Very low168 Ų168134.8 Ų134.874%0.73768%0.683SS**  trans-138.855.8169.6-94.7-80.6000110.7
240T33.4Very low34.6Very low144 Ų144133.8 Ų133.888%0.88368%0.68SS**SBendtrans-151.358.316123.10000109.2
241A29.8Very low34.8Very low99 Ų99132.9 Ų132.982%0.81867%0.674SS**  trans-159.9115.7159.700000108.9
242E37.9Very low35.2Very low180 Ų180132 Ų13284%0.84167%0.674SS**  trans-68.3147.8174.1-159.1153.7-168.400109.7
243T34.5Very low35.6Very low138 Ų138135.8 Ų135.885%0.84768%0.681SS**  trans103.8128.4162.271.80000120.9
244D36Very low36.2Very low135 Ų135136.2 Ų136.272%0.72268%0.683SS**  trans88.2105.9152.6-136.4-19.7000121.8K246D244-K246 VanDerWaalsContact C-N 3.29Å; D244-K246 PolarHBondContact O-N 3.19Å
245K40Very low36.5Very low186 Ų186135.9 Ų135.981%0.80968%0.681SS**THydrogen-bonded Turntrans-75.1-3.3-172.5-76.6178.6176.8174.10114.8
246K39.3Very low36.8Very low182 Ų182135.6 Ų135.679%0.79169%0.686SS**THydrogen-bonded Turntrans-92.4-22.2-172.7-144.4173.7-178.6-178.20114.1D244D244-K246 VanDerWaalsContact C-N 3.29Å; D244-K246 PolarHBondContact O-N 3.19Å
247H38.6Very low37.2Very low154 Ų154134.3 Ų134.371%0.71368%0.682SS**SBendtrans-88.5-13.3-179.6-136.334000114.2T251H247-T251 PolarHBondContact O-OG1 3.33Å
248M37.4Very low37.6Very low129 Ų129132.8 Ų132.864%0.63568%0.675SS**Hα-helixtrans-72.1-29.8-178.8-170.7-179.8154.800113.2I252M248-I252 HydrophobicContact CE-CD1 4.2Å; M248-I252 HydrophobicContact CG-CD1 4.13Å; M248-I252 WeakPolarHBondContact O-CD1 3.47Å; M248-I252 VanDerWaalsContact O-CG1 3.27Å; M248-I252 WeakPolarHBondContact O-CG1 3.34Å; M248-I252 PolarHBondContact O-N 3.47Å
249R39.2Very low37.7Very low198 Ų198132.2 Ų132.275%0.74767%0.668SS**Hα-helixtrans-75.9-30.6-178.1-101.8-175.8-81.1-147.8-2.7114R253R249-R253 PolarHBondContact O-N 2.92Å
250E41.3Very low38.1Very low103 Ų103128.3 Ų128.348%0.48166%0.661SS.*Hα-helixtrans-78.3-38.1-179.7-146.362.8-151.700111.3I252 R253 I254E250-I252 PolarHBondContact O-N 3.44Å; E250-R253 PolarHBondContact O-N 3.35Å; E250-I254 WeakPolarHBondContact O-CG1 3.41Å; E250-I254 PolarHBondContact O-N 3.43Å; E250-I254 VanDerWaalsContact O-N 3.15Å
251T41.2Very low38Very low80 Ų80125.2 Ų125.249%0.49165%0.646SS.*Hα-helixtrans-65.5-37.7177.9-51.70000112.1H247 R253 I254 V255H247-T251 PolarHBondContact O-OG1 3.33Å; T251-R253 VanDerWaalsContact C-N 3.34Å; T251-R253 PolarHBondContact O-N 3.15Å; T251-I254 PolarHBondContact O-N 3.2Å; T251-V255 WeakPolarHBondContact O-CG2 3.37Å; T251-V255 PolarHBondContact O-N 3.25Å; T251-V255 VanDerWaalsContact O-N 3.15Å
252I44.4Very low38.2Very low100 Ų100125.5 Ų125.551%0.51363%0.633SS.*Hα-helixtrans-66.2-35.3176-68.2169.2000111.6M248 E250 S256M248-I252 HydrophobicContact CE-CD1 4.2Å; M248-I252 HydrophobicContact CG-CD1 4.13Å; M248-I252 WeakPolarHBondContact O-CD1 3.47Å; M248-I252 VanDerWaalsContact O-CG1 3.27Å; M248-I252 WeakPolarHBondContact O-CG1 3.34Å; M248-I252 PolarHBondContact O-N 3.47Å; E250-I252 PolarHBondContact O-N 3.44Å; I252-S256 WeakPolarHBondContact O-CB 3.46Å; I252-S256 PolarHBondContact O-N 3.34Å; I252-S256 VanDerWaalsContact O-N 3.11Å
253R41.6Very low37.9Very low180 Ų180120.9 Ų120.968%0.67962%0.619SS**Hα-helixtrans-67.8-41.3175.2-90.5-176178.5155.5-2.6112.6R249 E250 T251 S256 A257R249-R253 PolarHBondContact O-N 2.92Å; E250-R253 PolarHBondContact O-N 3.35Å; T251-R253 VanDerWaalsContact C-N 3.34Å; T251-R253 PolarHBondContact O-N 3.15Å; R253-S256 PolarHBondContact O-N 3.48Å; R253-A257 WeakPolarHBondContact O-CB 3.36Å; R253-A257 PolarHBondContact O-N 3.29Å
254I45.5Very low37.7Very low101 Ų101119.5 Ų119.552%0.51861%0.614SS.*Hα-helixtrans-67.1-38.5-179-65.7168.4000111.1E250 T251 K258E250-I254 WeakPolarHBondContact O-CG1 3.41Å; E250-I254 PolarHBondContact O-N 3.43Å; E250-I254 VanDerWaalsContact O-N 3.15Å; T251-I254 PolarHBondContact O-N 3.2Å; I254-K258 PolarHBondContact O-N 3.41Å
255V40.9Very low37.5Very low79 Ų79118.2 Ų118.248%0.47961%0.614SS.*Hα-helixtrans-71.2-38.4177.6176.70000111.4T251 K258 F259T251-V255 WeakPolarHBondContact O-CG2 3.37Å; T251-V255 PolarHBondContact O-N 3.25Å; T251-V255 VanDerWaalsContact O-N 3.15Å; V255-K258 PolarHBondContact O-N 3.16Å; V255-F259 PolarHBondContact O-N 3.45Å
256S38.8Very low37.4Very low83 Ų83115.7 Ų115.758%0.5861%0.608SS**Hα-helixtrans-66.3-39.9176.2-171.70000112.9I252 R253 F259 S260I252-S256 WeakPolarHBondContact O-CB 3.46Å; I252-S256 PolarHBondContact O-N 3.34Å; I252-S256 VanDerWaalsContact O-N 3.11Å; R253-S256 PolarHBondContact O-N 3.48Å; S256-F259 PolarHBondContact O-N 3.47Å; S256-S260 PolarHBondContact O-N 3.01Å
257A37.2Very low37.2Very low69 Ų69119.7 Ų119.757%0.5763%0.626SS**Hα-helixtrans-67.5-35.6177.700000113R253R253-A257 WeakPolarHBondContact O-CB 3.36Å; R253-A257 PolarHBondContact O-N 3.29Å
258K36.4Very low37.1Very low147 Ų147118 Ų11864%0.63962%0.622SS**Hα-helixtrans-70.1-30.6174.1-95.8175.9175.2178.20112.9I254 V255 S261 I262I254-K258 PolarHBondContact O-N 3.41Å; V255-K258 PolarHBondContact O-N 3.16Å; K258-S261 PolarHBondContact O-N 3.15Å; K258-I262 WeakPolarHBondContact O-CG1 3.27Å; K258-I262 PolarHBondContact O-N 3.22Å
259F32.1Very low37.1Very low121 Ų121117.4 Ų117.453%0.53162%0.621SS.*Hα-helixtrans-71.9-35.2179.2-138.9-94.2000112.7V255 S256 S261 I262 C263V255-F259 PolarHBondContact O-N 3.45Å; S256-F259 PolarHBondContact O-N 3.47Å; F259-S261 VanDerWaalsContact C-N 3.31Å; F259-S261 PolarHBondContact O-N 3.49Å; F259-I262 PolarHBondContact O-N 3.11Å; F259-C263 PolarHBondContact O-N 3.43Å
260S33.9Very low37Very low86 Ų86112.9 Ų112.960%0.60161%0.614SS**Hα-helixtrans-62.7-36.8173.9-169.80000112.4S256S256-S260 PolarHBondContact O-N 3.01Å
261S32.1Very low36.7Very low79 Ų79113.5 Ų113.555%0.55262%0.622SS**Hα-helixtrans-73-27.6178.4-170.20000113.7K258 F259K258-S261 PolarHBondContact O-N 3.15Å; F259-S261 VanDerWaalsContact C-N 3.31Å; F259-S261 PolarHBondContact O-N 3.49Å
262I34Very low36.4Very low106 Ų106115.6 Ų115.654%0.54463%0.63SS.*Hα-helixtrans-83.4-34-178-66.8167.4000110.9K258 F259 C264 C265K258-I262 WeakPolarHBondContact O-CG1 3.27Å; K258-I262 PolarHBondContact O-N 3.22Å; F259-I262 PolarHBondContact O-N 3.11Å; I262-C264 VanDerWaalsContact C-N 3.31Å; I262-C264 PolarHBondContact O-N 3.38Å; I262-C265 PolarHBondContact O-N 3.24Å
263C30.8Very low35.9Very low83 Ų83116.7 Ų116.756%0.56164%0.638SS**Hα-helixtrans-70.6-22174.8-92.80000114F259F259-C263 PolarHBondContact O-N 3.43Å
264C30.7Very low35.5Very low108 Ų108112.1 Ų112.173%0.7364%0.635SS**THydrogen-bonded Turntrans-80.7-12.7175.6-105.30000114.2I262I262-C264 VanDerWaalsContact C-N 3.31Å; I262-C264 PolarHBondContact O-N 3.38Å
265C31.2Very low34.7Very low108 Ų108113 Ų11373%0.7364%0.644SS**THydrogen-bonded Turntrans-94.63.4178-69.20000113.6I262I262-C265 PolarHBondContact O-N 3.24Å
266I38.8Very low34.2Very low134 Ų134115.8 Ų115.869%0.68766%0.658SS**  trans-127.561.1177.5-47.7177.6000108.1
267F34.6Very low33.8Very low266 Ų266118.8 Ų118.8100%1.16767%0.665SS**  trans-152.50158.2-102.3-76.5000108.6

Retrieved 267 of 267 residues in 110.2 ms (Link to these results)

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