A0A087XY99_POEFO Loading...

Transport and golgi organization 2 homolog (Drosophila)

AlphaFold DB , UniProt , Accession A0A087XY99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 275 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
1M70.9Confident92.4Very high12 Ų1235.9 Ų35.96%0.05916%0.161CC..  0144.10-71.2-151-161.800105.7D27 M77 N157 Y215 M223 Y233M1-D27 HydrophobicContact CB-CB 4.47Å; M1-D27 PolarHBondContact N-O 2.86Å; M1-D27 CarbonylContact O-C 3.36Å; M1-D27 WeakPolarHBondContact O-CA 3.43Å; M1-D27 WeakPolarHBondContact O-CB 3.34Å; M1-D27 PolarHBondContact O-N 2.68Å; M1-M77 HydrophobicContact CE-CB 4.28Å; M1-M77 HydrophobicContact CE-CE 3.5Å; M1-M77 HydrophobicContact CE-CG 3.83Å; M1-M77 HydrophobicContact CE-SD 4.43Å; M1-M77 HydrophobicContact SD-CE 3.43Å; M1-M77 WeakPolarHBondContact SD-CE 3.43Å; M1-N157 WeakPolarHBondContact CA-ND2 3.41Å; M1-N157 VanDerWaalsContact CB-OD1 3.29Å; M1-N157 WeakPolarHBondContact CB-OD1 3.36Å; M1-N157 HydrophobicContact CG-CB 4.39Å; M1-N157 HydrophobicContact SD-CB 4.03Å; M1-Y215 HydrophobicContact CE-CE1 4.2Å; M1-Y215 HydrophobicContact CE-CE2 4.42Å; M1-M223 HydrophobicContact CE-CE 3.57Å; M1-M223 HydrophobicContact CE-SD 3.17Å; M1-M223 WeakPolarHBondContact CE-SD 3.43Å; M1-M223 HydrophobicContact CG-CE 4.18Å; M1-M223 HydrophobicContact CG-SD 4.36Å; M1-M223 HydrophobicContact SD-CB 4.3Å; M1-M223 HydrophobicContact SD-CE 3.92Å; M1-M223 HydrophobicContact SD-CG 3.96Å; M1-M223 HydrophobicContact SD-SD 3.35Å; M1-Y233 VanDerWaalsContact CA-OH 3.27Å; M1-Y233 WeakPolarHBondContact CA-OH 3.5Å; M1-Y233 WeakPolarHBondContact CB-OH 3Å; M1-Y233 PolarHBondContact N-OH 2.61Å
2C91.9Very high91.6Very high12 Ų1235.2 Ų35.28%0.08116%0.163CC..EExtended strand (participates in β ladder)trans-151158.2-165-59.60000106.7N25 T74 S156 N157C2-N25 VanDerWaalsContact CA-O 3.3Å; C2-N25 WeakPolarHBondContact CA-O 3.41Å; C2-N25 VanDerWaalsContact CB-O 3.25Å; C2-N25 WeakPolarHBondContact CB-O 3.24Å; C2-T74 HydrophobicContact CB-CG2 3.78Å; C2-S156 CarbonylContact O-C 3.47Å; C2-S156 WeakPolarHBondContact O-CA 3.37Å; C2-S156 PolarHBondContact O-OG 3.19Å; C2-N157 PolarHBondContact N-ND2 2.94Å; C2-N157 PolarHBondContact N-OD1 3.22Å; C2-N157 PolarHBondContact O-OD1 3.2Å
3I98.5Very high90.2Very high1 Ų140.8 Ų40.81%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-138.3141.5169.8-164.5166.2000109F5 A24 N25 L155 K166 L167 V226I3-F5 HydrophobicContact CD1-CE1 4.05Å; I3-F5 HydrophobicContact CD1-CE2 4.14Å; I3-F5 HydrophobicContact CD1-CZ 3.44Å; I3-F5 VanDerWaalsContact CD1-CZ 3.44Å; I3-F5 HydrophobicContact CG1-CE1 4.23Å; I3-F5 HydrophobicContact CG1-CE2 4.2Å; I3-F5 HydrophobicContact CG1-CZ 3.81Å; I3-F5 HydrophobicContact CG2-CE2 4.43Å; I3-A24 CarbonylContact O-C 3.59Å; I3-A24 VanDerWaalsContact O-CA 3.23Å; I3-A24 WeakPolarHBondContact O-CA 3.09Å; I3-N25 HydrophobicContact CG2-CB 3.99Å; I3-N25 PolarHBondContact N-O 3.45Å; I3-N25 PolarHBondContact O-N 3.42Å; I3-L155 CarbonylContact C-O 3.6Å; I3-L155 VanDerWaalsContact CA-O 3.29Å; I3-L155 WeakPolarHBondContact CA-O 3.46Å; I3-K166 HydrophobicContact CD1-CG 4.48Å; I3-L167 HydrophobicContact CD1-CD1 3.93Å; I3-L167 HydrophobicContact CG1-CD1 3.94Å; I3-V226 HydrophobicContact CD1-CG2 4.34Å; I3-V226 HydrophobicContact CG2-CG1 4Å
4I98.9Very high88.9Confident5 Ų541.6 Ų41.63%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-132.7129.9179.7-55.9174.3000107L22 A23 A24 A72 T74 G154 L155I4-L22 HydrophobicContact CG2-CD1 4.25Å; I4-L22 HydrophobicContact CG2-CG 4.09Å; I4-A23 CarbonylContact C-O 3.54Å; I4-A23 WeakPolarHBondContact CA-O 3.29Å; I4-A24 HydrophobicContact CB-CB 4.48Å; I4-A24 HydrophobicContact CG1-CB 3.9Å; I4-A72 HydrophobicContact CD1-CB 3.67Å; I4-T74 HydrophobicContact CD1-CG2 3.61Å; I4-T74 HydrophobicContact CG1-CG2 3.87Å; I4-G154 WeakPolarHBondContact O-CA 3.45Å; I4-L155 HydrophobicContact CB-CB 4.35Å; I4-L155 HydrophobicContact CD1-CD2 4.45Å; I4-L155 PolarHBondContact N-O 2.87Å; I4-L155 PolarHBondContact O-N 2.85Å
5F98.9Very high86.7Confident0 Ų052.7 Ų52.70%027%0.274CS..EExtended strand (participates in β ladder)trans-110.9131.3162.6-53.4-69.5000107.6I3 L22 A23 L167 G170 K171 F174 V195 L196 V226I3-F5 HydrophobicContact CD1-CE1 4.05Å; I3-F5 HydrophobicContact CD1-CE2 4.14Å; I3-F5 HydrophobicContact CD1-CZ 3.44Å; I3-F5 VanDerWaalsContact CD1-CZ 3.44Å; I3-F5 HydrophobicContact CG1-CE1 4.23Å; I3-F5 HydrophobicContact CG1-CE2 4.2Å; I3-F5 HydrophobicContact CG1-CZ 3.81Å; I3-F5 HydrophobicContact CG2-CE2 4.43Å; F5-L22 WeakPolarHBondContact O-CA 3.45Å; F5-A23 PolarHBondContact N-O 3.21Å; F5-A23 PolarHBondContact O-N 3Å; F5-L167 HydrophobicContact CE1-CD1 4.02Å; F5-G170 VanDerWaalsContact CE1-C 3.42Å; F5-K171 HydrophobicContact CD1-CB 4.1Å; F5-K171 HydrophobicContact CE1-CB 4.09Å; F5-F174 HydrophobicContact CB-CB 4.04Å; F5-F174 HydrophobicContact CB-CD1 3.91Å; F5-F174 HydrophobicContact CB-CD2 3.47Å; F5-F174 VanDerWaalsContact CB-CD2 3.47Å; F5-F174 HydrophobicContact CB-CE1 4.2Å; F5-F174 HydrophobicContact CB-CE2 3.79Å; F5-F174 HydrophobicContact CB-CG 3.53Å; F5-F174 HydrophobicContact CB-CZ 4.14Å; F5-F174 HydrophobicContact CD2-CB 4.5Å; F5-F174 HydrophobicContact CG-CB 4.1Å; F5-F174 HydrophobicContact CG-CD2 4.26Å; F5-F174 HydrophobicContact CG-CG 4.14Å; F5-V195 HydrophobicContact CD2-CG1 4.37Å; F5-V195 HydrophobicContact CE2-CG1 4.19Å; F5-L196 HydrophobicContact CD2-CD2 4.21Å; F5-L196 HydrophobicContact CE2-CD2 4.32Å; F5-V226 HydrophobicContact CE2-CG1 4.1Å; F5-V226 HydrophobicContact CZ-CG2 4.39Å
6L97.9Very high85.4Confident3 Ų355 Ų552%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-135.9137.4178.977.298.5000110.6F8 I21 I123 I152 Y153L6-F8 HydrophobicContact CD1-CD1 3.61Å; L6-F8 HydrophobicContact CD1-CE1 4.28Å; L6-I21 CarbonylContact C-O 3.58Å; L6-I21 WeakPolarHBondContact CA-O 3.33Å; L6-I123 HydrophobicContact CD2-CD1 3.57Å; L6-I152 CarbonylContact O-C 3.5Å; L6-I152 VanDerWaalsContact O-CA 3.31Å; L6-I152 WeakPolarHBondContact O-CA 3.18Å; L6-Y153 HydrophobicContact CD1-CD2 3.89Å; L6-Y153 HydrophobicContact CG-CD2 4.44Å; L6-Y153 PolarHBondContact N-O 2.89Å; L6-Y153 PolarHBondContact O-N 3.49Å
7K97.4Very high85.3Confident48 Ų4852.2 Ų52.221%0.20927%0.274CS..EExtended strand (participates in β ladder)trans-118128.5163.6175.2179.3173.9-71.90107.1L20 I21 G151 I152 F174 V178K7-L20 WeakPolarHBondContact O-CA 3.45Å; K7-I21 HydrophobicContact CB-CB 4.39Å; K7-I21 HydrophobicContact CD-CD1 4.47Å; K7-I21 PolarHBondContact N-O 3.16Å; K7-I21 PolarHBondContact O-N 3.13Å; K7-G151 WeakPolarHBondContact CA-O 3.29Å; K7-I152 HydrophobicContact CB-CG1 3.99Å; K7-I152 HydrophobicContact CD-CD1 4.38Å; K7-I152 HydrophobicContact CD-CG1 4.26Å; K7-I152 HydrophobicContact CG-CG1 3.95Å; K7-F174 HydrophobicContact CB-CE1 3.96Å; K7-F174 HydrophobicContact CB-CZ 4.15Å; K7-V178 HydrophobicContact CD-CB 4.17Å; K7-V178 HydrophobicContact CD-CG2 3.83Å
8F96Very high85.8Confident5 Ų551.6 Ų51.62%0.02227%0.268CS..EExtended strand (participates in β ladder)trans-132.7144.5168.479.6-82000111.6L6 P10 R19 L20 V134 L148 N149 P150 G151 Y153L6-F8 HydrophobicContact CD1-CD1 3.61Å; L6-F8 HydrophobicContact CD1-CE1 4.28Å; F8-P10 HydrophobicContact CD2-CG 4.44Å; F8-R19 CarbonylContact C-O 3.46Å; F8-R19 WeakPolarHBondContact CA-O 3.3Å; F8-R19 WeakPolarHBondContact CB-O 3.27Å; F8-L20 HydrophobicContact CB-CD1 4.1Å; F8-V134 HydrophobicContact CB-CG2 4.34Å; F8-V134 HydrophobicContact CD1-CB 4.37Å; F8-V134 HydrophobicContact CD1-CG2 4.02Å; F8-V134 HydrophobicContact CD2-CB 4.44Å; F8-V134 HydrophobicContact CD2-CG2 3.64Å; F8-V134 HydrophobicContact CE1-CB 4.05Å; F8-V134 HydrophobicContact CE1-CG1 4.4Å; F8-V134 HydrophobicContact CE1-CG2 4.14Å; F8-V134 HydrophobicContact CE2-CB 4.15Å; F8-V134 HydrophobicContact CE2-CG2 3.8Å; F8-V134 HydrophobicContact CG-CG2 3.74Å; F8-V134 HydrophobicContact CZ-CB 3.92Å; F8-V134 HydrophobicContact CZ-CG2 4.03Å; F8-L148 HydrophobicContact CE1-CB 3.78Å; F8-L148 HydrophobicContact CZ-CB 3.76Å; F8-L148 WeakPolarHBondContact CZ-O 3.37Å; F8-N149 WeakPolarHBondContact CE1-O 3.2Å; F8-N149 WeakPolarHBondContact CZ-O 3.41Å; F8-P150 HydrophobicContact CE2-CB 4.45Å; F8-P150 HydrophobicContact CE2-CG 4.31Å; F8-G151 PolarHBondContact N-O 3.04Å; F8-G151 VanDerWaalsContact N-O 3.08Å; F8-G151 PolarHBondContact O-N 2.78Å; F8-Y153 HydrophobicContact CD1-CE2 4.37Å; F8-Y153 HydrophobicContact CE1-CD2 4.16Å; F8-Y153 AromaticContact CE1-CE2 3.67Å; F8-Y153 HydrophobicContact CE1-CE2 3.67Å
9D93.1Very high86.2Confident50 Ų5050.2 Ų50.227%0.26726%0.258SS..  trans-148.1105.9-179.8-178.5-3.1000108.6R11 P12 R19D9-R11 PolarHBondContact O-N 3.19Å; D9-R11 VanDerWaalsContact O-N 3.12Å; D9-R11 PolarHBondContact OD1-N 2.76Å; D9-P12 HydrophobicContact CB-CB 4.31Å; D9-P12 WeakPolarHBondContact O-CD 3.35Å; D9-P12 WeakPolarHBondContact OD2-CA 3.48Å; D9-R19 PolarHBondContact N-O 2.89Å; D9-R19 WeakPolarHBondContact O-CA 3.16Å
10P88.1Confident86.8Confident42 Ų4247.9 Ų47.927%0.27325%0.247SC..SBendtrans-62.6-18-178-24.234.2000114.7F8 D132 P150F8-P10 HydrophobicContact CD2-CG 4.44Å; P10-D132 HydrophobicContact CB-CB 4.05Å; P10-D132 HydrophobicContact CG-CB 4.13Å; P10-P150 HydrophobicContact CG-CG 4.06Å
11R84.8Confident87.4Confident217 Ų21745.7 Ų45.782%0.81924%0.236SC*.SBendtrans-139.567.5-176.4-67.4178.1-64.6177.60.7110.2D9D9-R11 PolarHBondContact O-N 3.19Å; D9-R11 VanDerWaalsContact O-N 3.12Å; D9-R11 PolarHBondContact OD1-N 2.76Å
12P82.6Confident88.7Confident27 Ų2745.2 Ų45.218%0.17523%0.233CC..  trans-74.4133.7-172.936.1-37.7000110D9 A17 R19 A245D9-P12 HydrophobicContact CB-CB 4.31Å; D9-P12 WeakPolarHBondContact O-CD 3.35Å; D9-P12 WeakPolarHBondContact OD2-CA 3.48Å; P12-A17 HydrophobicContact CB-CB 3.43Å; P12-A17 VanDerWaalsContact CB-CB 3.43Å; P12-A17 HydrophobicContact CG-CB 3.61Å; P12-R19 HydrophobicContact CG-CG 4.26Å; P12-A245 HydrophobicContact CG-CB 4.28Å
13A74.4Confident89Confident108 Ų10844.7 Ų44.789%0.89323%0.229SC*.  trans-96.3-3.8-164.300000115.7
14S70.9Confident89Confident52 Ų5245 Ų4536%0.36423%0.232SC..SBendtrans-105.6166.5-173.763.70000113N16 A17S14-N16 VanDerWaalsContact C-N 3.28Å; S14-N16 PolarHBondContact O-N 3.49Å; S14-A17 WeakPolarHBondContact O-CB 3.37Å; S14-A17 PolarHBondContact O-N 3.41Å
15K56.6Low89Confident208 Ų20844.9 Ų44.990%0.90423%0.232SC*.THydrogen-bonded Turntrans-71.9-19.1-179.3-167.1177.1176.7-1760114
16N66.3Low89Confident90 Ų9045.5 Ų45.548%0.48123%0.234SC..THydrogen-bonded Turntrans-113.140.6175-65.6-18000110.2S14 Y18 Q181S14-N16 VanDerWaalsContact C-N 3.28Å; S14-N16 PolarHBondContact O-N 3.49Å; N16-Y18 WeakPolarHBondContact O-CD2 3.26Å; N16-Q181 PolarHBondContact ND2-O 2.73Å
17A83.6Confident89Confident8 Ų845.4 Ų45.47%0.06623%0.234CC..  trans-82.9127.2-169.900000112.2P12 S14 A245P12-A17 HydrophobicContact CB-CB 3.43Å; P12-A17 VanDerWaalsContact CB-CB 3.43Å; P12-A17 HydrophobicContact CG-CB 3.61Å; S14-A17 WeakPolarHBondContact O-CB 3.37Å; S14-A17 PolarHBondContact O-N 3.41Å; A17-A245 PolarHBondContact O-N 2.96Å
18Y93.6Very high88.9Confident40 Ų4044.2 Ų44.216%0.15723%0.229CC..EExtended strand (participates in β ladder)trans-108.3131.3173.3-64.8-82.4000111N16 L20 I21 G185 L188 L242 I243 D244N16-Y18 WeakPolarHBondContact O-CD2 3.26Å; Y18-L20 VanDerWaalsContact C-N 3.31Å; Y18-I21 HydrophobicContact CD2-CD1 3.77Å; Y18-I21 HydrophobicContact CD2-CG1 3.98Å; Y18-I21 HydrophobicContact CG-CD1 4.09Å; Y18-I21 HydrophobicContact CG-CG1 3.78Å; Y18-G185 WeakPolarHBondContact OH-CA 3.45Å; Y18-L188 HydrophobicContact CD2-CD2 4.01Å; Y18-L188 HydrophobicContact CE2-CD2 3.39Å; Y18-L242 HydrophobicContact CD1-CB 3.85Å; Y18-L242 HydrophobicContact CE1-CB 3.68Å; Y18-L242 HydrophobicContact CE1-CD1 3.92Å; Y18-L242 HydrophobicContact CE1-CG 4.27Å; Y18-I243 CarbonylContact C-O 3.58Å; Y18-I243 VanDerWaalsContact CA-O 3.3Å; Y18-I243 WeakPolarHBondContact CA-O 3.35Å; Y18-D244 HydrophobicContact CD1-CB 4.31Å; Y18-D244 HydrophobicContact CE1-CB 4.44Å
19R94.6Very high88.9Confident25 Ų2549.1 Ų49.19%0.09425%0.25CS..EExtended strand (participates in β ladder)trans-65.3-37.4165.8-72.6167.165.7-167.23.8111.3F8 D9 P12 K128 D132 I243 D244F8-R19 CarbonylContact C-O 3.46Å; F8-R19 WeakPolarHBondContact CA-O 3.3Å; F8-R19 WeakPolarHBondContact CB-O 3.27Å; D9-R19 PolarHBondContact N-O 2.89Å; D9-R19 WeakPolarHBondContact O-CA 3.16Å; P12-R19 HydrophobicContact CG-CG 4.26Å; R19-K128 PolarHBondContact NH2-O 2.94Å; R19-K128 VanDerWaalsContact NH2-O 3.17Å; R19-D132 IonicContact CZ-OD1 3.9Å; R19-D132 IonicContact CZ-OD2 3.71Å; R19-D132 IonicContact NE-OD1 2.74Å; R19-D132 IonicContact NE-OD2 2.8Å; R19-D132 PolarHBondContact NE-OD2 2.93Å; R19-D132 IonicContact NH2-OD1 3.18Å; R19-D132 PolarHBondContact NH2-OD1 2.92Å; R19-D132 IonicContact NH2-OD2 3.63Å; R19-D132 PolarHBondContact NH2-OD2 3.29Å; R19-I243 HydrophobicContact CB-CB 4.47Å; R19-I243 HydrophobicContact CB-CG2 4.32Å; R19-I243 PolarHBondContact N-O 2.82Å; R19-D244 VanDerWaalsContact CD-O 3.24Å; R19-D244 WeakPolarHBondContact CD-O 3.44Å
20L97.5Very high89Confident4 Ų447.5 Ų47.52%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-139.1135174.518070.7000110.9K7 F8 Y18 L22 L70 F127 I241 L242 I243K7-L20 WeakPolarHBondContact O-CA 3.45Å; F8-L20 HydrophobicContact CB-CD1 4.1Å; Y18-L20 VanDerWaalsContact C-N 3.31Å; L20-L22 HydrophobicContact CD1-CB 4.3Å; L20-L22 HydrophobicContact CD2-CB 4.21Å; L20-L22 HydrophobicContact CG-CB 4.22Å; L20-L70 HydrophobicContact CD2-CD1 3.55Å; L20-F127 HydrophobicContact CB-CE1 3.9Å; L20-F127 HydrophobicContact CB-CZ 3.77Å; L20-F127 HydrophobicContact CD1-CZ 4.07Å; L20-F127 HydrophobicContact CD2-CE2 3.85Å; L20-F127 HydrophobicContact CD2-CZ 3.65Å; L20-F127 HydrophobicContact CG-CZ 4.02Å; L20-I241 HydrophobicContact CD2-CG2 4.36Å; L20-L242 WeakPolarHBondContact O-CA 3.11Å; L20-I243 HydrophobicContact CB-CB 4.02Å; L20-I243 HydrophobicContact CB-CD1 3.97Å; L20-I243 HydrophobicContact CB-CG1 3.97Å; L20-I243 HydrophobicContact CD2-CD1 3.82Å; L20-I243 HydrophobicContact CD2-CG1 4.21Å; L20-I243 PolarHBondContact N-O 3.4Å; L20-I243 PolarHBondContact O-N 3.21Å
21I98.4Very high89.4Confident3 Ų351.3 Ų51.32%0.01526%0.258CS..EExtended strand (participates in β ladder)trans-124.2117.6158.7-56.5172.3000106.4L6 K7 Y18 F174 V178 L188 L192 L242L6-I21 CarbonylContact C-O 3.58Å; L6-I21 WeakPolarHBondContact CA-O 3.33Å; K7-I21 HydrophobicContact CB-CB 4.39Å; K7-I21 HydrophobicContact CD-CD1 4.47Å; K7-I21 PolarHBondContact N-O 3.16Å; K7-I21 PolarHBondContact O-N 3.13Å; Y18-I21 HydrophobicContact CD2-CD1 3.77Å; Y18-I21 HydrophobicContact CD2-CG1 3.98Å; Y18-I21 HydrophobicContact CG-CD1 4.09Å; Y18-I21 HydrophobicContact CG-CG1 3.78Å; I21-F174 HydrophobicContact CB-CZ 4.38Å; I21-F174 HydrophobicContact CG2-CE2 3.99Å; I21-F174 HydrophobicContact CG2-CZ 3.97Å; I21-V178 HydrophobicContact CB-CG1 4.35Å; I21-V178 HydrophobicContact CD1-CB 3.87Å; I21-V178 HydrophobicContact CD1-CG1 3.77Å; I21-V178 HydrophobicContact CG2-CG1 3.82Å; I21-L188 HydrophobicContact CD1-CD2 4.08Å; I21-L192 HydrophobicContact CG2-CD1 3.58Å; I21-L192 HydrophobicContact CG2-CD2 4.49Å; I21-L242 HydrophobicContact CB-CD2 4.19Å; I21-L242 HydrophobicContact CG1-CD2 4.08Å; I21-L242 HydrophobicContact CG2-CD2 3.72Å
22L98.8Very high89.9Confident2 Ų243.3 Ų43.31%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-124.6132177-177.7152.9000109.4I4 F5 L20 A24 L62 L70 I240 I241I4-L22 HydrophobicContact CG2-CD1 4.25Å; I4-L22 HydrophobicContact CG2-CG 4.09Å; F5-L22 WeakPolarHBondContact O-CA 3.45Å; L20-L22 HydrophobicContact CD1-CB 4.3Å; L20-L22 HydrophobicContact CD2-CB 4.21Å; L20-L22 HydrophobicContact CG-CB 4.22Å; L22-A24 HydrophobicContact CD2-CB 3.93Å; L22-L62 HydrophobicContact CD1-CD1 4.29Å; L22-L62 HydrophobicContact CD2-CD1 4.12Å; L22-L62 HydrophobicContact CD2-CD2 3.72Å; L22-L70 HydrophobicContact CD1-CD1 4.4Å; L22-L70 HydrophobicContact CD1-CD2 4.18Å; L22-I240 CarbonylContact O-C 3.43Å; L22-I240 VanDerWaalsContact O-CA 3.29Å; L22-I240 WeakPolarHBondContact O-CA 3.46Å; L22-I241 HydrophobicContact CB-CB 4.31Å; L22-I241 HydrophobicContact CD2-CD1 4.46Å; L22-I241 HydrophobicContact CD2-CG1 4.39Å; L22-I241 PolarHBondContact N-O 3.43Å; L22-I241 PolarHBondContact O-N 3.29Å
23A98.9Very high90.5Very high0 Ų044.7 Ų44.70%024%0.237CC..EExtended strand (participates in β ladder)trans-129.5122.5174.700000108.9I4 F5 F174 L192 L196 T239 I240I4-A23 CarbonylContact C-O 3.54Å; I4-A23 WeakPolarHBondContact CA-O 3.29Å; F5-A23 PolarHBondContact N-O 3.21Å; F5-A23 PolarHBondContact O-N 3Å; A23-F174 HydrophobicContact CB-CD2 4.23Å; A23-F174 HydrophobicContact CB-CE2 4.01Å; A23-L192 HydrophobicContact CB-CB 4.42Å; A23-L192 HydrophobicContact CB-CD2 4.3Å; A23-L196 HydrophobicContact CB-CD1 4Å; A23-L196 HydrophobicContact CB-CD2 4.12Å; A23-L196 HydrophobicContact CB-CG 4.1Å; A23-T239 WeakPolarHBondContact CA-O 3.43Å; A23-I240 HydrophobicContact CB-CD1 3.53Å
24A98.8Very high91.5Very high7 Ų741 Ų416%0.05820%0.204CC..EExtended strand (participates in β ladder)trans-136.8142.5-173.900000113.6I3 I4 L22 L62 L196 N238 T239I3-A24 CarbonylContact O-C 3.59Å; I3-A24 VanDerWaalsContact O-CA 3.23Å; I3-A24 WeakPolarHBondContact O-CA 3.09Å; I4-A24 HydrophobicContact CB-CB 4.48Å; I4-A24 HydrophobicContact CG1-CB 3.9Å; L22-A24 HydrophobicContact CD2-CB 3.93Å; A24-L62 HydrophobicContact CB-CD2 3.89Å; A24-L196 WeakPolarHBondContact O-CD1 3.3Å; A24-N238 CarbonylContact O-C 3.59Å; A24-N238 WeakPolarHBondContact O-CA 3.26Å; A24-T239 PolarHBondContact N-O 3.45Å; A24-T239 PolarHBondContact O-N 3.46Å
25N98.7Very high92.7Very high4 Ų442.7 Ų42.72%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-104.4137.4162.2-69.1-16.7000111C2 I3 L196 V226 T235 T237 N238C2-N25 VanDerWaalsContact CA-O 3.3Å; C2-N25 WeakPolarHBondContact CA-O 3.41Å; C2-N25 VanDerWaalsContact CB-O 3.25Å; C2-N25 WeakPolarHBondContact CB-O 3.24Å; I3-N25 HydrophobicContact CG2-CB 3.99Å; I3-N25 PolarHBondContact N-O 3.45Å; I3-N25 PolarHBondContact O-N 3.42Å; N25-L196 PolarHBondContact ND2-O 2.89Å; N25-L196 WeakPolarHBondContact OD1-CB 3.49Å; N25-V226 PolarHBondContact ND2-O 3.33Å; N25-T235 HydrophobicContact CB-CG2 3.74Å; N25-T235 VanDerWaalsContact CG-CG2 3.48Å; N25-T237 WeakPolarHBondContact CA-O 3.12Å; N25-N238 PolarHBondContact OD1-ND2 3.29Å
26R97.9Very high94.6Very high12 Ų1234.5 Ų34.55%0.04518%0.176CC..EExtended strand (participates in β ladder)trans-98.1112.9158.1-178.3-172.4-173.7-104.62.4108.9E28 W61 R236 T237R26-E28 HydrophobicContact CG-CB 4.47Å; R26-E28 IonicContact NH2-OE2 2.74Å; R26-W61 HydrophobicContact CB-CG 4.48Å; R26-W61 VanDerWaalsContact CD-CE2 3.48Å; R26-W61 HydrophobicContact CG-CD2 4.43Å; R26-W61 HydrophobicContact CG-CG 4.24Å; R26-W61 VanDerWaalsContact NE-CE3 3.33Å; R26-R236 PolarHBondContact O-N 3.31Å; R26-T237 PolarHBondContact N-O 3.31Å; R26-T237 PolarHBondContact O-N 3.43Å
27D97.4Very high96.1Very high2 Ų230.4 Ų30.41%0.01116%0.155CC..EExtended strand (participates in β ladder)trans-98.5127.8168.1-29.4-49.5000109.9M1 V228 Y233 G234 T235M1-D27 HydrophobicContact CB-CB 4.47Å; M1-D27 PolarHBondContact N-O 2.86Å; M1-D27 CarbonylContact O-C 3.36Å; M1-D27 WeakPolarHBondContact O-CA 3.43Å; M1-D27 WeakPolarHBondContact O-CB 3.34Å; M1-D27 PolarHBondContact O-N 2.68Å; D27-V228 HydrophobicContact CB-CB 4.39Å; D27-V228 HydrophobicContact CB-CG2 4.48Å; D27-V228 WeakPolarHBondContact OD2-CG2 3.26Å; D27-Y233 HydrophobicContact CB-CE1 3.93Å; D27-Y233 WeakPolarHBondContact CB-OH 3.28Å; D27-Y233 PolarHBondContact O-OH 3.33Å; D27-Y233 VanDerWaalsContact O-OH 3.11Å; D27-G234 CarbonylContact C-O 3.57Å; D27-G234 WeakPolarHBondContact CA-O 3.21Å; D27-T235 VanDerWaalsContact OD1-CA 3.28Å; D27-T235 WeakPolarHBondContact OD1-CA 3.32Å; D27-T235 WeakPolarHBondContact OD1-CB 3.34Å; D27-T235 PolarHBondContact OD1-OG1 3.32Å
28E96.4Very high96.8Very high22 Ų2233.3 Ų33.310%0.10317%0.17CC..EExtended strand (participates in β ladder)trans-156.4163.3-173-177.359.9-80.100110.5R26 Y30 R32 Y233 G234 R236R26-E28 HydrophobicContact CG-CB 4.47Å; R26-E28 IonicContact NH2-OE2 2.74Å; E28-Y30 PolarHBondContact O-N 3.39Å; E28-R32 HydrophobicContact CG-CB 3.92Å; E28-R32 HydrophobicContact CG-CG 4.3Å; E28-R32 WeakPolarHBondContact OE2-CD 3.28Å; E28-R32 IonicContact OE2-CZ 3.38Å; E28-R32 IonicContact OE2-NE 2.62Å; E28-R32 IonicContact OE2-NH1 3.51Å; E28-R32 PolarHBondContact OE2-NH1 2.79Å; E28-Y233 VanDerWaalsContact C-CD2 3.41Å; E28-G234 PolarHBondContact N-O 3.02Å; E28-G234 PolarHBondContact O-N 3.24Å; E28-G234 VanDerWaalsContact O-O 3.14Å; E28-R236 WeakPolarHBondContact O-CD 3.27Å
29F95.8Very high97.1Very high109 Ų10934.1 Ų34.148%0.47817%0.174SC..EExtended strand (participates in β ladder)trans-53.1130.7167.5-65.6-74.3000111N31 R32 H232 Y233 R236F29-N31 WeakPolarHBondContact CB-OD1 3.33Å; F29-N31 PolarHBondContact O-N 3.12Å; F29-R32 HydrophobicContact CB-CB 4.36Å; F29-R32 WeakPolarHBondContact O-CB 3.33Å; F29-R32 PolarHBondContact O-N 3.25Å; F29-R32 VanDerWaalsContact O-N 3.14Å; F29-H232 WeakPolarHBondContact CA-O 3.36Å; F29-Y233 HydrophobicContact CD1-CD2 4Å; F29-Y233 HydrophobicContact CD2-CD2 4.34Å; F29-Y233 HydrophobicContact CE1-CD2 4.17Å; F29-Y233 HydrophobicContact CE2-CD2 4.49Å; F29-Y233 HydrophobicContact CG-CD2 4.09Å; F29-Y233 HydrophobicContact CZ-CD2 4.41Å; F29-R236 VanDerWaalsContact O-CD 3.28Å; F29-R236 WeakPolarHBondContact O-CD 3.36Å; F29-R236 PolarHBondContact O-NH1 3.37Å
30Y95.9Very high97.2Very high16 Ų1635.4 Ų35.46%0.06318%0.179CC..THydrogen-bonded Turntrans-61.5-33.7-175.7-59.9-37.5000112.6E28 S230 H232 Y233 G234 R236 M256 T261E28-Y30 PolarHBondContact O-N 3.39Å; Y30-S230 WeakPolarHBondContact CE2-O 3.24Å; Y30-S230 PolarHBondContact OH-O 3.48Å; Y30-H232 VanDerWaalsContact CD2-C 3.43Å; Y30-H232 PolarHBondContact N-O 2.95Å; Y30-Y233 VanDerWaalsContact CZ-C 3.43Å; Y30-Y233 PolarHBondContact OH-O 2.82Å; Y30-G234 VanDerWaalsContact CE1-N 3.28Å; Y30-R236 HydrophobicContact CD1-CG 3.78Å; Y30-R236 HydrophobicContact CE1-CG 4.28Å; Y30-R236 VanDerWaalsContact O-CZ 3.28Å; Y30-R236 PolarHBondContact O-NE 3.17Å; Y30-R236 PolarHBondContact O-NH2 3.36Å; Y30-M256 HydrophobicContact CD1-CE 4.05Å; Y30-M256 HydrophobicContact CD1-SD 4.06Å; Y30-M256 HydrophobicContact CE1-SD 4.22Å; Y30-M256 HydrophobicContact CG-CE 4.36Å; Y30-T261 HydrophobicContact CD2-CG2 4.3Å; Y30-T261 HydrophobicContact CE1-CG2 4.16Å; Y30-T261 HydrophobicContact CE2-CG2 3.8Å
31N95.3Very high97Very high121 Ų12137 Ų3765%0.64720%0.197SC*.THydrogen-bonded Turntrans-83.6-5.9-179.666.7-16.6000114.5F29 P33 V259F29-N31 WeakPolarHBondContact CB-OD1 3.33Å; F29-N31 PolarHBondContact O-N 3.12Å; N31-P33 WeakPolarHBondContact O-CD 3.34Å; N31-V259 HydrophobicContact CB-CG1 4.15Å
32R95.5Very high96.4Very high50 Ų5041.3 Ų41.319%0.18922%0.223CC..SBendtrans-66119.8177.8-176.2177.6-173.6146.214109.7E28 F29 S34 D51 E53 R236E28-R32 HydrophobicContact CG-CB 3.92Å; E28-R32 HydrophobicContact CG-CG 4.3Å; E28-R32 WeakPolarHBondContact OE2-CD 3.28Å; E28-R32 IonicContact OE2-CZ 3.38Å; E28-R32 IonicContact OE2-NE 2.62Å; E28-R32 IonicContact OE2-NH1 3.51Å; E28-R32 PolarHBondContact OE2-NH1 2.79Å; F29-R32 HydrophobicContact CB-CB 4.36Å; F29-R32 WeakPolarHBondContact O-CB 3.33Å; F29-R32 PolarHBondContact O-N 3.25Å; F29-R32 VanDerWaalsContact O-N 3.14Å; R32-S34 PolarHBondContact O-N 2.85Å; R32-D51 IonicContact CZ-OD1 3.91Å; R32-D51 IonicContact CZ-OD2 3.19Å; R32-D51 IonicContact NE-OD1 3.21Å; R32-D51 PolarHBondContact NE-OD1 3.3Å; R32-D51 VanDerWaalsContact NE-OD1 3.15Å; R32-D51 IonicContact NE-OD2 3.8Å; R32-D51 PolarHBondContact NE-OD2 3.28Å; R32-D51 VanDerWaalsContact NE-OD2 3.09Å; R32-D51 IonicContact NH2-OD1 2.93Å; R32-D51 IonicContact NH2-OD2 2.72Å; R32-D51 PolarHBondContact NH2-OD2 2.92Å; R32-E53 HydrophobicContact CG-CB 4.1Å; R32-R236 PolarHBondContact O-NH1 3.27Å; R32-R236 PolarHBondContact O-NH2 3.27Å
33P95.5Very high96Very high56 Ų5648.4 Ų48.436%0.36426%0.261SS..  trans-68.5137.2-178.829.8-34.6000110.4N31 L52 E53N31-P33 WeakPolarHBondContact O-CD 3.34Å; P33-L52 HydrophobicContact CB-CB 3.94Å; P33-L52 HydrophobicContact CG-CB 4.27Å; P33-L52 PolarHBondContact O-N 3.41Å; P33-E53 WeakPolarHBondContact CD-OE2 3.32Å
34S95.6Very high95.7Very high29 Ų2949.3 Ų49.320%0.20327%0.271CS..EExtended strand (participates in β ladder)trans-153.2144.3178.454.90000110R32 L50R32-S34 PolarHBondContact O-N 2.85Å; S34-L50 CarbonylContact C-O 3.48Å; S34-L50 VanDerWaalsContact CA-O 3.26Å; S34-L50 WeakPolarHBondContact CA-O 3.5Å; S34-L50 WeakPolarHBondContact CB-O 3.41Å
35K95.9Very high95.6Very high89 Ų8949.6 Ų49.639%0.38727%0.271SS..EExtended strand (participates in β ladder)trans-84.9133.3170.2-163.1-173.6172.8-168.40109.1D38 G49 L50 L52K35-D38 IonicContact NZ-OD2 3.62Å; K35-D38 PolarHBondContact NZ-OD2 2.88Å; K35-G49 VanDerWaalsContact O-CA 3.3Å; K35-G49 WeakPolarHBondContact O-CA 3.32Å; K35-L50 HydrophobicContact CB-CB 4.2Å; K35-L50 PolarHBondContact N-O 2.57Å; K35-L50 PolarHBondContact O-N 2.79Å; K35-L50 VanDerWaalsContact O-N 3.07Å; K35-L52 HydrophobicContact CB-CD1 4.18Å; K35-L52 HydrophobicContact CB-CD2 4.49Å; K35-L52 HydrophobicContact CB-CG 4.38Å
36A97.1Very high95.6Very high35 Ų3549.5 Ų49.529%0.28927%0.27SS..EExtended strand (participates in β ladder)trans-57.515916800000111D38 E253 T255A36-D38 PolarHBondContact O-N 3.05Å; A36-E253 WeakPolarHBondContact CA-OE1 3.33Å; A36-E253 WeakPolarHBondContact CB-OE1 3.34Å; A36-T255 HydrophobicContact CB-CG2 4.03Å
37A97.9Very high95.6Very high4 Ų448.9 Ų48.93%0.03327%0.268CS..EExtended strand (participates in β ladder)trans-58.8130.6178.900000111.5L47 S48 F251 E253 F269A37-L47 HydrophobicContact CB-CD1 4.4Å; A37-S48 WeakPolarHBondContact CA-O 3.49Å; A37-F251 HydrophobicContact CB-CD1 4.47Å; A37-F251 HydrophobicContact CB-CE1 3.44Å; A37-F251 VanDerWaalsContact CB-CE1 3.44Å; A37-F251 HydrophobicContact CB-CZ 3.82Å; A37-E253 HydrophobicContact CB-CB 4.28Å; A37-E253 WeakPolarHBondContact CB-OE2 3.44Å; A37-E253 PolarHBondContact N-OE1 2.93Å; A37-E253 PolarHBondContact N-OE2 2.92Å; A37-F269 HydrophobicContact CB-CE2 4.44Å; A37-F269 WeakPolarHBondContact O-CE2 3.32Å; A37-F269 WeakPolarHBondContact O-CZ 3.46Å
38D98.2Very high95.6Very high70 Ų7048.9 Ų48.937%0.37427%0.268SS..EExtended strand (participates in β ladder)trans-156.5165.6176.7-167.49.5000108.8K35 A36 L47 S48K35-D38 IonicContact NZ-OD2 3.62Å; K35-D38 PolarHBondContact NZ-OD2 2.88Å; A36-D38 PolarHBondContact O-N 3.05Å; D38-L47 VanDerWaalsContact C-CD1 3.46Å; D38-S48 PolarHBondContact N-O 3.19Å; D38-S48 PolarHBondContact O-N 3.49Å
39F98.3Very high95.7Very high57 Ų5747.9 Ų47.925%0.2526%0.263CS..EExtended strand (participates in β ladder)trans-74.5131.5175-74.7-75.7000111.2G44 I46 L47 K66 F269 F271F39-G44 VanDerWaalsContact CD1-O 3.29Å; F39-G44 WeakPolarHBondContact CD1-O 3.32Å; F39-I46 CarbonylContact C-O 3.56Å; F39-I46 VanDerWaalsContact CA-O 3.26Å; F39-I46 WeakPolarHBondContact CA-O 3.44Å; F39-L47 HydrophobicContact CD1-CB 4.02Å; F39-L47 HydrophobicContact CD2-CD1 4.37Å; F39-L47 HydrophobicContact CE1-CB 3.8Å; F39-L47 HydrophobicContact CE1-CD2 4.48Å; F39-L47 HydrophobicContact CE2-CD1 4.43Å; F39-L47 HydrophobicContact CG-CD1 4.43Å; F39-L47 HydrophobicContact CZ-CB 4.33Å; F39-L47 HydrophobicContact CZ-CD2 4.2Å; F39-K66 VanDerWaalsContact CE1-CE 3.46Å; F39-K66 HydrophobicContact CE1-CG 4.32Å; F39-F269 HydrophobicContact CD2-CD1 4.21Å; F39-F269 HydrophobicContact CE2-CB 4.4Å; F39-F269 AromaticContact CE2-CD1 3.86Å; F39-F269 HydrophobicContact CE2-CD1 3.86Å; F39-F269 HydrophobicContact CE2-CG 4.48Å; F39-F271 HydrophobicContact CE1-CD1 4.26Å; F39-F271 HydrophobicContact CE1-CE1 4.39Å; F39-F271 HydrophobicContact CZ-CB 4.49Å; F39-F271 AromaticContact CZ-CD1 3.69Å; F39-F271 HydrophobicContact CZ-CD1 3.69Å; F39-F271 HydrophobicContact CZ-CE1 4.14Å; F39-F271 HydrophobicContact CZ-CG 4.19Å
40W96.9Very high95.8Very high52 Ų5243.9 Ų43.920%0.19725%0.247CC..EExtended strand (participates in β ladder)trans-145.7-174.3175.163.5-87.2000110.9G44 E45 I46 S48 L50 V97W40-G44 CarbonylContact O-C 3.5Å; W40-G44 WeakPolarHBondContact O-CA 3.46Å; W40-E45 PolarHBondContact O-N 2.95Å; W40-I46 HydrophobicContact CD2-CB 4.18Å; W40-I46 HydrophobicContact CD2-CG2 4.33Å; W40-I46 HydrophobicContact CE3-CD1 4.23Å; W40-I46 HydrophobicContact CH2-CB 4.49Å; W40-I46 HydrophobicContact CH2-CD1 3.7Å; W40-I46 HydrophobicContact CH2-CG2 4.11Å; W40-I46 HydrophobicContact CZ2-CB 4.08Å; W40-I46 HydrophobicContact CZ2-CD1 4.15Å; W40-I46 HydrophobicContact CZ2-CG2 3.42Å; W40-I46 VanDerWaalsContact CZ2-CG2 3.42Å; W40-I46 HydrophobicContact CZ3-CD1 3.76Å; W40-I46 PolarHBondContact N-O 3.46Å; W40-I46 PolarHBondContact O-N 3.41Å; W40-S48 PolarHBondContact NE1-OG 2.76Å; W40-L50 HydrophobicContact CD2-CD1 4.37Å; W40-L50 HydrophobicContact CD2-CD2 4.42Å; W40-L50 HydrophobicContact CG-CD1 4.23Å; W40-L50 HydrophobicContact CZ2-CD2 3.88Å; W40-V97 HydrophobicContact CH2-CG2 3.85Å; W40-V97 HydrophobicContact CZ3-CG2 3.75Å
41G92.8Very high95.8Very high38 Ų3843.8 Ų43.839%0.39225%0.247SC..THydrogen-bonded Turntrans81.8-174.9-17600000112.2N43 G44G41-N43 PolarHBondContact O-N 3.17Å; G41-G44 PolarHBondContact O-N 2.75Å; G41-G44 VanDerWaalsContact O-N 3.13Å
42T87.6Confident95.9Very high92 Ų9242.1 Ų42.156%0.56424%0.238SC*.G310 helixtrans-62.2124.5-179.3-550000109.3G44 E45T42-G44 PolarHBondContact O-N 2.89Å; T42-E45 WeakPolarHBondContact O-CG 3.4Å; T42-E45 VanDerWaalsContact O-OE1 3.09Å
43N88.7Confident95.9Very high151 Ų15143.3 Ų43.381%0.80725%0.246SC*.G310 helixtrans59.819.7-177.1-52.8-33.3000115.6G41 E45G41-N43 PolarHBondContact O-N 3.17Å; N43-E45 PolarHBondContact O-N 3.38Å
44G94.2Very high95.9Very high20 Ų2050.4 Ų50.421%0.20627%0.266CS..G310 helixtrans61.446.1178.800000112.4F39 W40 G41 T42 K66F39-G44 VanDerWaalsContact CD1-O 3.29Å; F39-G44 WeakPolarHBondContact CD1-O 3.32Å; W40-G44 CarbonylContact O-C 3.5Å; W40-G44 WeakPolarHBondContact O-CA 3.46Å; G41-G44 PolarHBondContact O-N 2.75Å; G41-G44 VanDerWaalsContact O-N 3.13Å; T42-G44 PolarHBondContact O-N 2.89Å; G44-K66 WeakPolarHBondContact O-CE 3.49Å; G44-K66 PolarHBondContact O-NZ 3.36Å
45E95.6Very high95.9Very high13 Ų1351.1 Ų51.16%0.06128%0.279CS..  trans-93.4-13.9-175.577.6-163.6131.800113.7W40 T42 N43 S65 K66 R67 K99W40-E45 PolarHBondContact O-N 2.95Å; T42-E45 WeakPolarHBondContact O-CG 3.4Å; T42-E45 VanDerWaalsContact O-OE1 3.09Å; N43-E45 PolarHBondContact O-N 3.38Å; E45-S65 CarbonylContact O-C 3.45Å; E45-S65 VanDerWaalsContact O-CA 3.24Å; E45-S65 WeakPolarHBondContact O-CA 3.35Å; E45-K66 PolarHBondContact O-N 3.35Å; E45-R67 IonicContact OE2-NE 3.16Å; E45-R67 PolarHBondContact OE2-NE 3.41Å; E45-R67 VanDerWaalsContact OE2-NE 3.16Å; E45-K99 WeakPolarHBondContact OE1-CE 3.39Å; E45-K99 IonicContact OE1-NZ 2.61Å; E45-K99 PolarHBondContact OE1-NZ 3.47Å; E45-K99 WeakPolarHBondContact OE2-CE 3.37Å; E45-K99 IonicContact OE2-NZ 2.86Å; E45-K99 PolarHBondContact OE2-NZ 3.36Å
46I98.1Very high95.8Very high1 Ų150.1 Ų50.11%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-110.6128.5-176.6-55.4168.7000109.5F39 W40 L96 V97F39-I46 CarbonylContact C-O 3.56Å; F39-I46 VanDerWaalsContact CA-O 3.26Å; F39-I46 WeakPolarHBondContact CA-O 3.44Å; W40-I46 HydrophobicContact CD2-CB 4.18Å; W40-I46 HydrophobicContact CD2-CG2 4.33Å; W40-I46 HydrophobicContact CE3-CD1 4.23Å; W40-I46 HydrophobicContact CH2-CB 4.49Å; W40-I46 HydrophobicContact CH2-CD1 3.7Å; W40-I46 HydrophobicContact CH2-CG2 4.11Å; W40-I46 HydrophobicContact CZ2-CB 4.08Å; W40-I46 HydrophobicContact CZ2-CD1 4.15Å; W40-I46 HydrophobicContact CZ2-CG2 3.42Å; W40-I46 VanDerWaalsContact CZ2-CG2 3.42Å; W40-I46 HydrophobicContact CZ3-CD1 3.76Å; W40-I46 PolarHBondContact N-O 3.46Å; W40-I46 PolarHBondContact O-N 3.41Å; I46-L96 HydrophobicContact CD1-CB 4.12Å; I46-L96 WeakPolarHBondContact CD1-O 3.43Å; I46-L96 HydrophobicContact CG1-CB 4.41Å; I46-L96 HydrophobicContact CG2-CB 3.88Å; I46-L96 HydrophobicContact CG2-CD1 3.87Å; I46-L96 HydrophobicContact CG2-CG 4.39Å; I46-V97 HydrophobicContact CD1-CB 4.38Å; I46-V97 HydrophobicContact CD1-CG2 3.57Å
47L98.7Very high95.8Very high0 Ų052.9 Ų52.90%028%0.281CS..EExtended strand (participates in β ladder)trans-109112.4172.8-177.961.2000109.5A37 D38 F39 G63 I64 F251 F269 F271A37-L47 HydrophobicContact CB-CD1 4.4Å; D38-L47 VanDerWaalsContact C-CD1 3.46Å; F39-L47 HydrophobicContact CD1-CB 4.02Å; F39-L47 HydrophobicContact CD2-CD1 4.37Å; F39-L47 HydrophobicContact CE1-CB 3.8Å; F39-L47 HydrophobicContact CE1-CD2 4.48Å; F39-L47 HydrophobicContact CE2-CD1 4.43Å; F39-L47 HydrophobicContact CG-CD1 4.43Å; F39-L47 HydrophobicContact CZ-CB 4.33Å; F39-L47 HydrophobicContact CZ-CD2 4.2Å; L47-G63 VanDerWaalsContact O-CA 3.23Å; L47-G63 WeakPolarHBondContact O-CA 3.41Å; L47-I64 HydrophobicContact CB-CG2 4.48Å; L47-I64 PolarHBondContact N-O 3.03Å; L47-I64 PolarHBondContact O-N 3.47Å; L47-F251 HydrophobicContact CD2-CB 3.52Å; L47-F251 HydrophobicContact CD2-CD1 3.75Å; L47-F251 HydrophobicContact CD2-CD2 3.79Å; L47-F251 HydrophobicContact CD2-CE1 4.38Å; L47-F251 HydrophobicContact CD2-CE2 4.42Å; L47-F251 HydrophobicContact CD2-CG 3.42Å; L47-F251 VanDerWaalsContact CD2-CG 3.42Å; L47-F251 HydrophobicContact CG-CD1 4.21Å; L47-F251 HydrophobicContact CG-CD2 4.18Å; L47-F251 HydrophobicContact CG-CE1 4.36Å; L47-F251 HydrophobicContact CG-CE2 4.33Å; L47-F251 HydrophobicContact CG-CG 4.13Å; L47-F251 HydrophobicContact CG-CZ 4.43Å; L47-F269 HydrophobicContact CD1-CD1 4.13Å; L47-F269 HydrophobicContact CD1-CD2 3.99Å; L47-F269 HydrophobicContact CD1-CE1 4.25Å; L47-F269 HydrophobicContact CD1-CE2 4.12Å; L47-F269 HydrophobicContact CD1-CG 3.99Å; L47-F269 HydrophobicContact CD1-CZ 4.25Å; L47-F269 HydrophobicContact CD2-CB 3.63Å; L47-F269 HydrophobicContact CD2-CD2 3.99Å; L47-F269 HydrophobicContact CD2-CG 3.83Å; L47-F271 HydrophobicContact CD2-CE1 3.84Å
48S98.4Very high95.7Very high2 Ų254.1 Ų54.11%0.01429%0.294CS..EExtended strand (participates in β ladder)trans-161.8158.4174.678.60000111.2A37 D38 W40 S60 L62A37-S48 WeakPolarHBondContact CA-O 3.49Å; D38-S48 PolarHBondContact N-O 3.19Å; D38-S48 PolarHBondContact O-N 3.49Å; W40-S48 PolarHBondContact NE1-OG 2.76Å; S48-S60 WeakPolarHBondContact CB-OG 3.27Å; S48-S60 PolarHBondContact OG-OG 2.72Å; S48-L62 WeakPolarHBondContact CB-O 3.4Å
49G97.6Very high95.6Very high0 Ų050.9 Ų50.90%028%0.277CS..EExtended strand (participates in β ladder)trans-70.4158.5159.800000110.8K35 S60K35-G49 VanDerWaalsContact O-CA 3.3Å; K35-G49 WeakPolarHBondContact O-CA 3.32Å; G49-S60 WeakPolarHBondContact O-CB 3.47Å; G49-S60 PolarHBondContact O-OG 2.83Å
50L97.5Very high95.6Very high26 Ų2648.3 Ų48.314%0.13627%0.267CS..EExtended strand (participates in β ladder)trans-127.9138.3179.1-65.3174.7000111S34 K35 W40 G59S34-L50 CarbonylContact C-O 3.48Å; S34-L50 VanDerWaalsContact CA-O 3.26Å; S34-L50 WeakPolarHBondContact CA-O 3.5Å; S34-L50 WeakPolarHBondContact CB-O 3.41Å; K35-L50 HydrophobicContact CB-CB 4.2Å; K35-L50 PolarHBondContact N-O 2.57Å; K35-L50 PolarHBondContact O-N 2.79Å; K35-L50 VanDerWaalsContact O-N 3.07Å; W40-L50 HydrophobicContact CD2-CD1 4.37Å; W40-L50 HydrophobicContact CD2-CD2 4.42Å; W40-L50 HydrophobicContact CG-CD1 4.23Å; W40-L50 HydrophobicContact CZ2-CD2 3.88Å; L50-G59 WeakPolarHBondContact CA-O 3.3Å
51D97.1Very high95.7Very high13 Ų1347 Ų477%0.0726%0.262CS..EExtended strand (participates in β ladder)trans-70.2137.5168.9-157.7-19.8000109.1R32 E53 E57 G58 G59R32-D51 IonicContact CZ-OD1 3.91Å; R32-D51 IonicContact CZ-OD2 3.19Å; R32-D51 IonicContact NE-OD1 3.21Å; R32-D51 PolarHBondContact NE-OD1 3.3Å; R32-D51 VanDerWaalsContact NE-OD1 3.15Å; R32-D51 IonicContact NE-OD2 3.8Å; R32-D51 PolarHBondContact NE-OD2 3.28Å; R32-D51 VanDerWaalsContact NE-OD2 3.09Å; R32-D51 IonicContact NH2-OD1 2.93Å; R32-D51 IonicContact NH2-OD2 2.72Å; R32-D51 PolarHBondContact NH2-OD2 2.92Å; D51-E53 WeakPolarHBondContact OD1-CB 3.49Å; D51-E53 PolarHBondContact OD1-N 2.99Å; D51-E57 WeakPolarHBondContact O-CA 3.49Å; D51-G58 PolarHBondContact O-N 2.65Å; D51-G58 VanDerWaalsContact O-N 3.1Å; D51-G59 WeakPolarHBondContact CB-O 3.43Å; D51-G59 PolarHBondContact N-O 2.89Å
52L96.9Very high96Very high86 Ų8645.4 Ų45.445%0.4524%0.244SC..  trans-119.65.4176.8-59.9177.2000111.4P33 K35P33-L52 HydrophobicContact CB-CB 3.94Å; P33-L52 HydrophobicContact CG-CB 4.27Å; P33-L52 PolarHBondContact O-N 3.41Å; K35-L52 HydrophobicContact CB-CD1 4.18Å; K35-L52 HydrophobicContact CB-CD2 4.49Å; K35-L52 HydrophobicContact CB-CG 4.38Å
53E96.3Very high96.5Very high76 Ų7641 Ų4136%0.35522%0.217SC..SBendtrans-63.1141.3174.7-176.965.4-126.600110.3R32 P33 D51 G55 K56 E57R32-E53 HydrophobicContact CG-CB 4.1Å; P33-E53 WeakPolarHBondContact CD-OE2 3.32Å; D51-E53 WeakPolarHBondContact OD1-CB 3.49Å; D51-E53 PolarHBondContact OD1-N 2.99Å; E53-G55 PolarHBondContact O-N 3.34Å; E53-K56 HydrophobicContact CB-CB 4.21Å; E53-K56 HydrophobicContact CB-CG 4.43Å; E53-K56 HydrophobicContact CG-CG 4.42Å; E53-K56 CarbonylContact O-C 3.48Å; E53-K56 WeakPolarHBondContact O-CA 3.26Å; E53-K56 WeakPolarHBondContact O-CB 3.23Å; E53-K56 PolarHBondContact O-N 2.91Å; E53-E57 VanDerWaalsContact O-CD 3.31Å; E53-E57 PolarHBondContact O-N 3.27Å
54Y94.9Very high97Very high204 Ų20433.8 Ų33.880%0.818%0.179SC*.THydrogen-bonded Turntrans-59.6128.9-176.2-179.7-100.3000112.2K56 E57Y54-K56 PolarHBondContact O-N 3.39Å; Y54-E57 WeakPolarHBondContact CA-OE1 3.24Å
55G94.2Very high97.1Very high45 Ų4533 Ų3346%0.46417%0.169SC..THydrogen-bonded Turntrans74.87.8-174.900000114.6E53 E57E53-G55 PolarHBondContact O-N 3.34Å; G55-E57 VanDerWaalsContact CA-OE2 3.26Å; G55-E57 WeakPolarHBondContact CA-OE2 3.24Å; G55-E57 PolarHBondContact N-OE1 3.32Å; G55-E57 PolarHBondContact N-OE2 3.33Å
56K95.5Very high97.1Very high68 Ų6834.6 Ų34.630%0.29618%0.176SC..  trans-128.23.6176.6-52.8-64.7171-159.70112.1E53 Y54 G58 G59E53-K56 HydrophobicContact CB-CB 4.21Å; E53-K56 HydrophobicContact CB-CG 4.43Å; E53-K56 HydrophobicContact CG-CG 4.42Å; E53-K56 CarbonylContact O-C 3.48Å; E53-K56 WeakPolarHBondContact O-CA 3.26Å; E53-K56 WeakPolarHBondContact O-CB 3.23Å; E53-K56 PolarHBondContact O-N 2.91Å; Y54-K56 PolarHBondContact O-N 3.39Å; K56-G58 PolarHBondContact O-N 3.27Å; K56-G59 PolarHBondContact O-N 3.47Å
57E96.3Very high96.9Very high93 Ų9339.8 Ų39.844%0.43520%0.196SC..THydrogen-bonded Turntrans-57131.3-175.3-58.391.8149.600111.2D51 E53 Y54 G55 G59 F90D51-E57 WeakPolarHBondContact O-CA 3.49Å; E53-E57 VanDerWaalsContact O-CD 3.31Å; E53-E57 PolarHBondContact O-N 3.27Å; Y54-E57 WeakPolarHBondContact CA-OE1 3.24Å; G55-E57 VanDerWaalsContact CA-OE2 3.26Å; G55-E57 WeakPolarHBondContact CA-OE2 3.24Å; G55-E57 PolarHBondContact N-OE1 3.32Å; G55-E57 PolarHBondContact N-OE2 3.33Å; E57-G59 VanDerWaalsContact C-N 3.29Å; E57-G59 PolarHBondContact O-N 3.07Å; E57-F90 VanDerWaalsContact O-CE1 3.28Å; E57-F90 WeakPolarHBondContact O-CE1 3.43Å; E57-F90 VanDerWaalsContact O-CZ 3.27Å; E57-F90 WeakPolarHBondContact O-CZ 3.31Å
58G95.5Very high96.8Very high29 Ų2939.8 Ų39.830%0.29920%0.196SC..THydrogen-bonded Turntrans86-7.5-178.500000114.7D51 K56 S93D51-G58 PolarHBondContact O-N 2.65Å; D51-G58 VanDerWaalsContact O-N 3.1Å; K56-G58 PolarHBondContact O-N 3.27Å; G58-S93 WeakPolarHBondContact O-CB 3.2Å; G58-S93 PolarHBondContact O-OG 3.05Å
59G97.6Very high96.7Very high2 Ų239.9 Ų39.92%0.02120%0.196CC..  trans-64.2154.2165.500000111.5L50 D51 K56 E57L50-G59 WeakPolarHBondContact CA-O 3.3Å; D51-G59 WeakPolarHBondContact CB-O 3.43Å; D51-G59 PolarHBondContact N-O 2.89Å; K56-G59 PolarHBondContact O-N 3.47Å; E57-G59 VanDerWaalsContact C-N 3.29Å; E57-G59 PolarHBondContact O-N 3.07Å
60S98Very high96.8Very high4 Ų440 Ų403%0.02820%0.197CC..  trans-134.2169.4176.1-165.80000112S48 G49 G89S48-S60 WeakPolarHBondContact CB-OG 3.27Å; S48-S60 PolarHBondContact OG-OG 2.72Å; G49-S60 WeakPolarHBondContact O-CB 3.47Å; G49-S60 PolarHBondContact O-OG 2.83Å; S60-G89 PolarHBondContact N-O 2.91Å; S60-G89 WeakPolarHBondContact O-CA 3.17Å
61W98.1Very high96.8Very high24 Ų2438.8 Ų38.89%0.09119%0.19CC..SBendtrans-116.1-29.417855.589.8000113.2R26 A72 I73R26-W61 HydrophobicContact CB-CG 4.48Å; R26-W61 VanDerWaalsContact CD-CE2 3.48Å; R26-W61 HydrophobicContact CG-CD2 4.43Å; R26-W61 HydrophobicContact CG-CG 4.24Å; R26-W61 VanDerWaalsContact NE-CE3 3.33Å; W61-A72 WeakPolarHBondContact O-CA 3.44Å; W61-I73 HydrophobicContact CB-CG2 4.41Å; W61-I73 PolarHBondContact O-N 2.95Å
62L98.8Very high96.9Very high4 Ų438.1 Ų38.12%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-159.1133.8179.4171.462.8000108.2L22 A24 S48 A71 A72 T239 I241L22-L62 HydrophobicContact CD1-CD1 4.29Å; L22-L62 HydrophobicContact CD2-CD1 4.12Å; L22-L62 HydrophobicContact CD2-CD2 3.72Å; A24-L62 HydrophobicContact CB-CD2 3.89Å; S48-L62 WeakPolarHBondContact CB-O 3.4Å; L62-A71 VanDerWaalsContact CA-O 3.31Å; L62-A71 WeakPolarHBondContact CA-O 3.39Å; L62-A72 HydrophobicContact CD1-CB 3.58Å; L62-T239 HydrophobicContact CD2-CG2 3.49Å; L62-T239 VanDerWaalsContact CD2-CG2 3.49Å; L62-T239 HydrophobicContact CG-CG2 4.38Å; L62-I241 HydrophobicContact CD1-CD1 3.93Å; L62-I241 HydrophobicContact CD2-CD1 4.23Å; L62-I241 HydrophobicContact CG-CD1 4.11Å
63G98.4Very high97Very high0 Ų034.6 Ų34.60%017%0.168CC..EExtended strand (participates in β ladder)trans-164.1168174.200000112.7L47 L70 A71L47-G63 VanDerWaalsContact O-CA 3.23Å; L47-G63 WeakPolarHBondContact O-CA 3.41Å; G63-L70 WeakPolarHBondContact O-CA 3.45Å; G63-A71 PolarHBondContact N-O 3.21Å; G63-A71 PolarHBondContact O-N 2.99Å; G63-A71 VanDerWaalsContact O-N 3.11Å
64I98.6Very high97.1Very high0 Ų031 Ų310%015%0.152CC..EExtended strand (participates in β ladder)trans-140139.2176-177165.5000109.9L47 H69 L70 I241 I243 V249 F251 F271 L273L47-I64 HydrophobicContact CB-CG2 4.48Å; L47-I64 PolarHBondContact N-O 3.03Å; L47-I64 PolarHBondContact O-N 3.47Å; I64-H69 CarbonylContact C-O 3.53Å; I64-H69 VanDerWaalsContact CA-O 3.24Å; I64-H69 WeakPolarHBondContact CA-O 3.4Å; I64-L70 HydrophobicContact CB-CB 4.33Å; I64-L70 HydrophobicContact CB-CD1 4.37Å; I64-L70 HydrophobicContact CD1-CB 4.46Å; I64-L70 HydrophobicContact CD1-CD1 4.25Å; I64-L70 HydrophobicContact CG1-CB 4.28Å; I64-I241 HydrophobicContact CD1-CG2 4.4Å; I64-I241 HydrophobicContact CG2-CD1 4.37Å; I64-I243 HydrophobicContact CD1-CD1 3.76Å; I64-I243 HydrophobicContact CD1-CG1 4.45Å; I64-V249 HydrophobicContact CD1-CG1 4.3Å; I64-V249 HydrophobicContact CD1-CG2 4.35Å; I64-F251 HydrophobicContact CG2-CD2 3.95Å; I64-F251 HydrophobicContact CG2-CE2 4.41Å; I64-F271 HydrophobicContact CG1-CZ 4.49Å; I64-F271 HydrophobicContact CG2-CE1 4.48Å; I64-F271 HydrophobicContact CG2-CZ 3.91Å; I64-L273 HydrophobicContact CD1-CD2 4.42Å
65S97.4Very high97.2Very high2 Ų223.4 Ų23.41%0.01413%0.125CC..EExtended strand (participates in β ladder)trans-93.4156.3170.882.50000111.2E45 R67 G68 H69E45-S65 CarbonylContact O-C 3.45Å; E45-S65 VanDerWaalsContact O-CA 3.24Å; E45-S65 WeakPolarHBondContact O-CA 3.35Å; S65-R67 PolarHBondContact O-N 3.36Å; S65-R67 PolarHBondContact OG-N 3.46Å; S65-G68 PolarHBondContact O-N 3.45Å; S65-H69 PolarHBondContact N-O 2.97Å; S65-H69 WeakPolarHBondContact OG-CB 3.29Å; S65-H69 PolarHBondContact OG-N 3.26Å
66K96Very high97.3Very high48 Ų4823.1 Ų23.121%0.20911%0.11CC..THydrogen-bonded Turntrans-57.9-18.8171.9-71.1-179.3-179.7157.60112.5F39 G44 E45 G68 F271 L273 Q274F39-K66 VanDerWaalsContact CE1-CE 3.46Å; F39-K66 HydrophobicContact CE1-CG 4.32Å; G44-K66 WeakPolarHBondContact O-CE 3.49Å; G44-K66 PolarHBondContact O-NZ 3.36Å; E45-K66 PolarHBondContact O-N 3.35Å; K66-G68 VanDerWaalsContact C-N 3.3Å; K66-F271 HydrophobicContact CB-CD2 4.47Å; K66-F271 HydrophobicContact CG-CD2 3.82Å; K66-F271 HydrophobicContact CG-CE2 4.07Å; K66-F271 HydrophobicContact CG-CG 4.48Å; K66-L273 CarbonylContact O-C 3.51Å; K66-L273 WeakPolarHBondContact O-CA 3.38Å; K66-Q274 HydrophobicContact CB-CG 4.11Å; K66-Q274 PolarHBondContact O-N 2.88Å
67R94.1Very high97.3Very high109 Ų10920 Ų2041%0.41110%0.096SC..THydrogen-bonded Turntrans-86.20.2176.3-61.8172.5179.4-92.9-7.4113.4E45 S65E45-R67 IonicContact OE2-NE 3.16Å; E45-R67 PolarHBondContact OE2-NE 3.41Å; E45-R67 VanDerWaalsContact OE2-NE 3.16Å; S65-R67 PolarHBondContact O-N 3.36Å; S65-R67 PolarHBondContact OG-N 3.46Å
68G95.4Very high97.1Very high0 Ų017.3 Ų17.30%08%0.084CC..SBendtrans85.513.6178.600000114.6S65 K66 E126 F127S65-G68 PolarHBondContact O-N 3.45Å; K66-G68 VanDerWaalsContact C-N 3.3Å; G68-E126 CarbonylContact O-C 3.46Å; G68-E126 WeakPolarHBondContact O-CA 3.19Å; G68-F127 WeakPolarHBondContact O-CD2 3.37Å; G68-F127 PolarHBondContact O-N 3.35Å
69H97.3Very high96.6Very high4 Ų417 Ų172%0.0198%0.08CC..EExtended strand (participates in β ladder)trans-78.1121.8167.3-71.5167.4000109.7I64 S65 Y95 L96 D98 A125 E126I64-H69 CarbonylContact C-O 3.53Å; I64-H69 VanDerWaalsContact CA-O 3.24Å; I64-H69 WeakPolarHBondContact CA-O 3.4Å; S65-H69 PolarHBondContact N-O 2.97Å; S65-H69 WeakPolarHBondContact OG-CB 3.29Å; S65-H69 PolarHBondContact OG-N 3.26Å; H69-Y95 HydrophobicContact CB-CD1 4.44Å; H69-Y95 HydrophobicContact CB-CE1 3.86Å; H69-L96 HydrophobicContact CB-CD2 4.5Å; H69-L96 VanDerWaalsContact O-CD2 3.24Å; H69-L96 WeakPolarHBondContact O-CD2 3.41Å; H69-D98 PolarHBondContact CE1-O 2.9Å; H69-D98 VanDerWaalsContact CE1-O 3.31Å; H69-D98 PolarHBondContact ND1-O 2.86Å; H69-A125 WeakPolarHBondContact CA-O 3Å; H69-E126 IonicContact CD2-OE1 3.5Å; H69-E126 IonicContact NE2-OE1 3.15Å; H69-E126 PolarHBondContact NE2-OE1 3.33Å
70L98.6Very high96Very high3 Ų324.8 Ų24.82%0.01612%0.116CC..EExtended strand (participates in β ladder)trans-122.9137175175.3153000109.5L20 L22 G63 I64 Y95 T124 A125 F127 I241L20-L70 HydrophobicContact CD2-CD1 3.55Å; L22-L70 HydrophobicContact CD1-CD1 4.4Å; L22-L70 HydrophobicContact CD1-CD2 4.18Å; G63-L70 WeakPolarHBondContact O-CA 3.45Å; I64-L70 HydrophobicContact CB-CB 4.33Å; I64-L70 HydrophobicContact CB-CD1 4.37Å; I64-L70 HydrophobicContact CD1-CB 4.46Å; I64-L70 HydrophobicContact CD1-CD1 4.25Å; I64-L70 HydrophobicContact CG1-CB 4.28Å; L70-Y95 WeakPolarHBondContact O-CE1 3.35Å; L70-T124 CarbonylContact O-C 3.5Å; L70-T124 WeakPolarHBondContact O-CA 3.48Å; L70-A125 HydrophobicContact CB-CB 4.3Å; L70-A125 HydrophobicContact CD2-CB 4.36Å; L70-A125 PolarHBondContact N-O 3.21Å; L70-A125 PolarHBondContact O-N 3.39Å; L70-F127 HydrophobicContact CB-CE2 4.18Å; L70-F127 HydrophobicContact CD1-CE2 4.39Å; L70-I241 HydrophobicContact CD1-CD1 3.88Å; L70-I241 HydrophobicContact CD1-CG2 4.4Å
71A98.8Very high95.6Very high0 Ų028.1 Ų28.10%014%0.137CC..EExtended strand (participates in β ladder)trans-135.9143171.600000111L62 G63 V92 Y95 I123 T124L62-A71 VanDerWaalsContact CA-O 3.31Å; L62-A71 WeakPolarHBondContact CA-O 3.39Å; G63-A71 PolarHBondContact N-O 3.21Å; G63-A71 PolarHBondContact O-N 2.99Å; G63-A71 VanDerWaalsContact O-N 3.11Å; A71-V92 HydrophobicContact CB-CB 4.4Å; A71-V92 HydrophobicContact CB-CG1 3.86Å; A71-Y95 HydrophobicContact CB-CD1 3.59Å; A71-Y95 HydrophobicContact CB-CE1 4.36Å; A71-Y95 HydrophobicContact CB-CG 4.34Å; A71-I123 VanDerWaalsContact CA-O 3.26Å; A71-I123 WeakPolarHBondContact CA-O 3.3Å; A71-T124 HydrophobicContact CB-CG2 4.5Å
72A98.8Very high95.4Very high0 Ų030.8 Ų30.80%015%0.153CC..EExtended strand (participates in β ladder)trans-143.2136.6179.500000110.3I4 W61 L62 I123I4-A72 HydrophobicContact CD1-CB 3.67Å; W61-A72 WeakPolarHBondContact O-CA 3.44Å; L62-A72 HydrophobicContact CD1-CB 3.58Å; A72-I123 PolarHBondContact N-O 3.18Å; A72-I123 PolarHBondContact O-N 3.21Å
73I98.6Very high95.1Very high12 Ų1236.3 Ų36.36%0.06219%0.189CC..EExtended strand (participates in β ladder)trans-124.4139.3-178.3-164.7163.4000112W61 R88 L91 V92 F120 N121 L122W61-I73 HydrophobicContact CB-CG2 4.41Å; W61-I73 PolarHBondContact O-N 2.95Å; I73-R88 HydrophobicContact CD1-CB 3.54Å; I73-R88 HydrophobicContact CD1-CG 4.48Å; I73-L91 HydrophobicContact CD1-CB 4.47Å; I73-L91 HydrophobicContact CD1-CD1 4.11Å; I73-V92 HydrophobicContact CB-CG2 3.72Å; I73-V92 HydrophobicContact CG2-CG2 3.59Å; I73-F120 HydrophobicContact CD1-CB 4.31Å; I73-F120 HydrophobicContact CD1-CD2 4.15Å; I73-F120 HydrophobicContact CD1-CG 4.42Å; I73-F120 HydrophobicContact CG1-CB 4.41Å; I73-F120 HydrophobicContact CG1-CD2 4.48Å; I73-N121 VanDerWaalsContact CA-O 3.3Å; I73-N121 WeakPolarHBondContact CA-O 3.27Å; I73-N121 VanDerWaalsContact CG1-O 3.27Å; I73-N121 WeakPolarHBondContact CG1-O 3.31Å; I73-L122 HydrophobicContact CB-CD1 4.19Å; I73-L122 HydrophobicContact CD1-CD1 4.5Å; I73-L122 HydrophobicContact CG1-CD1 4.49Å
74T98.3Very high94.9Very high0 Ų043.1 Ų43.10%023%0.226CC..EExtended strand (participates in β ladder)trans-120.4144.9164.575.90000109.8C2 I4 F120 N121 L155 S156C2-T74 HydrophobicContact CB-CG2 3.78Å; I4-T74 HydrophobicContact CD1-CG2 3.61Å; I4-T74 HydrophobicContact CG1-CG2 3.87Å; T74-F120 CarbonylContact O-C 3.59Å; T74-F120 WeakPolarHBondContact O-CA 3.33Å; T74-N121 PolarHBondContact N-O 2.86Å; T74-N121 PolarHBondContact O-N 2.88Å; T74-N121 WeakPolarHBondContact OG1-CB 3.48Å; T74-N121 PolarHBondContact OG1-ND2 3.39Å; T74-N121 VanDerWaalsContact OG1-ND2 3.1Å; T74-L155 HydrophobicContact CG2-CD2 4Å; T74-L155 HydrophobicContact CG2-CG 3.93Å; T74-S156 WeakPolarHBondContact CB-O 3.36Å; T74-S156 PolarHBondContact OG1-O 2.87Å
75N96.9Very high94.7Very high44 Ų4443.9 Ų43.924%0.23523%0.232CC..EExtended strand (participates in β ladder)trans-69.5146168.9-62-18.9000109.1R88 N157N75-R88 PolarHBondContact OD1-NE 3.47Å; N75-R88 PolarHBondContact OD1-NH2 3.27Å; N75-R88 VanDerWaalsContact OD1-NH2 3.1Å; N75-N157 WeakPolarHBondContact O-CA 3.49Å; N75-N157 WeakPolarHBondContact O-CB 3.31Å; N75-N157 PolarHBondContact O-ND2 3.11Å
76Y97.1Very high94.6Very high40 Ų4048.2 Ų48.216%0.15725%0.252CS..PPolyproline II helixtrans-84.3140.2161.5-169.7-83.7000108.5E78 G119 R140 L159 L211Y76-E78 HydrophobicContact CD1-CG 3.73Å; Y76-E78 HydrophobicContact CE1-CG 4.37Å; Y76-E78 PolarHBondContact O-N 2.77Å; Y76-G119 PolarHBondContact N-O 2.98Å; Y76-R140 HydrophobicContact CD1-CB 4.43Å; Y76-R140 HydrophobicContact CD1-CG 3.92Å; Y76-R140 HydrophobicContact CD2-CB 3.95Å; Y76-R140 HydrophobicContact CD2-CG 4.12Å; Y76-R140 HydrophobicContact CE1-CB 4.31Å; Y76-R140 HydrophobicContact CE1-CG 4.14Å; Y76-R140 HydrophobicContact CE2-CB 3.82Å; Y76-R140 HydrophobicContact CE2-CG 4.33Å; Y76-R140 HydrophobicContact CG-CB 4.27Å; Y76-R140 HydrophobicContact CG-CG 3.92Å; Y76-L159 HydrophobicContact CD2-CD2 4.29Å; Y76-L159 HydrophobicContact CE2-CD2 4.02Å; Y76-L159 HydrophobicContact CE2-CG 4.03Å; Y76-L211 HydrophobicContact CE1-CD2 4.1Å
77M95.3Very high94.6Very high2 Ų246.8 Ų46.81%0.0125%0.251CS..PPolyproline II helixtrans-74.9121.6179.5-179.3-178.1-79.800109.2M1 N157 W164 Q208 L211 G212 Y215 M223M1-M77 HydrophobicContact CE-CB 4.28Å; M1-M77 HydrophobicContact CE-CE 3.5Å; M1-M77 HydrophobicContact CE-CG 3.83Å; M1-M77 HydrophobicContact CE-SD 4.43Å; M1-M77 HydrophobicContact SD-CE 3.43Å; M1-M77 WeakPolarHBondContact SD-CE 3.43Å; M77-N157 HydrophobicContact CB-CB 4.02Å; M77-N157 VanDerWaalsContact CB-O 3.29Å; M77-N157 WeakPolarHBondContact CB-O 3.48Å; M77-N157 PolarHBondContact N-O 3Å; M77-W164 HydrophobicContact CB-CH2 3.98Å; M77-W164 HydrophobicContact CE-CH2 3.71Å; M77-W164 HydrophobicContact CE-CZ3 4.1Å; M77-W164 HydrophobicContact SD-CH2 3.78Å; M77-W164 HydrophobicContact SD-CZ2 4.25Å; M77-Q208 HydrophobicContact CE-CG 4Å; M77-Q208 HydrophobicContact SD-CG 4.28Å; M77-L211 HydrophobicContact CB-CB 4.49Å; M77-L211 HydrophobicContact CG-CB 4.35Å; M77-L211 HydrophobicContact SD-CB 4.08Å; M77-G212 VanDerWaalsContact SD-CA 3.56Å; M77-G212 PolarHBondContact SD-N 3.47Å; M77-Y215 HydrophobicContact CG-CE2 4.12Å; M77-M223 HydrophobicContact CE-SD 4.35Å
78E91.3Very high94.7Very high37 Ų3744.2 Ų44.217%0.17324%0.241CC..  trans-140.8128.3179.7-58.7179.4117.900108.7Y76 H80 G119 R140 Y215Y76-E78 HydrophobicContact CD1-CG 3.73Å; Y76-E78 HydrophobicContact CE1-CG 4.37Å; Y76-E78 PolarHBondContact O-N 2.77Å; E78-H80 PolarHBondContact O-N 2.99Å; E78-G119 WeakPolarHBondContact OE2-CA 3.23Å; E78-G119 PolarHBondContact OE2-N 2.86Å; E78-R140 IonicContact OE1-CZ 2.6Å; E78-R140 IonicContact OE1-NE 2.65Å; E78-R140 PolarHBondContact OE1-NE 2.88Å; E78-R140 IonicContact OE1-NH2 2.82Å; E78-R140 PolarHBondContact OE1-NH2 3.36Å; E78-R140 IonicContact OE2-NH2 3.38Å; E78-Y215 VanDerWaalsContact O-CE2 3.3Å; E78-Y215 WeakPolarHBondContact O-CE2 3.44Å; E78-Y215 PolarHBondContact O-OH 3.08Å; E78-Y215 VanDerWaalsContact O-OH 3.08Å
79G85.3Confident94.8Very high21 Ų2145 Ų4522%0.21625%0.25CS..SBendtrans-60.9-30178.800000115.1E213G79-E213 WeakPolarHBondContact CA-O 3.48Å
80H85.4Confident94.8Very high167 Ų16748.3 Ų48.377%0.77327%0.265SS*.SBendtrans-13476-171.9-58.9-58.7000110.9E78E78-H80 PolarHBondContact O-N 2.99Å
81P89.5Confident94.8Very high73 Ų7348.5 Ų48.547%0.47427%0.266SS..  trans-67.8143.9177.528.7-34.4000111.2P83P81-P83 WeakPolarHBondContact O-CD 3.26Å
82N93.4Very high94.8Very high80 Ų8048.5 Ų48.543%0.42827%0.266SS..  trans-71118.2173.21763000109.9N84 A85 N118N82-N84 PolarHBondContact O-N 3.38Å; N82-N84 WeakPolarHBondContact OD1-CB 3.41Å; N82-N84 PolarHBondContact OD1-N 2.82Å; N82-A85 HydrophobicContact CB-CB 4.13Å; N82-A85 WeakPolarHBondContact O-CB 3.11Å; N82-A85 PolarHBondContact O-N 3.43Å; N82-N118 WeakPolarHBondContact CB-OD1 3.18Å; N82-N118 PolarHBondContact N-OD1 2.86Å; N82-N118 PolarHBondContact O-ND2 2.89Å; N82-N118 PolarHBondContact O-OD1 2.62Å
83P92Very high94.8Very high120 Ų12048.8 Ų48.878%0.77927%0.267SS*.THydrogen-bonded Turntrans-68.5-21-178.728.5-35.5000113.3P81P81-P83 WeakPolarHBondContact O-CD 3.26Å
84N94.3Very high94.7Very high143 Ų14352.4 Ų52.477%0.76529%0.287SS*.THydrogen-bonded Turntrans-93.6-0.2-178.8-59-42.3000113N82N82-N84 PolarHBondContact O-N 3.38Å; N82-N84 WeakPolarHBondContact OD1-CB 3.41Å; N82-N84 PolarHBondContact OD1-N 2.82Å
85A95.5Very high94.7Very high17 Ų1752.4 Ų52.414%0.1429%0.287CS..SBendtrans-68.5152179.100000111.8N82 N118N82-A85 HydrophobicContact CB-CB 4.13Å; N82-A85 WeakPolarHBondContact O-CB 3.11Å; N82-A85 PolarHBondContact O-N 3.43Å; A85-N118 HydrophobicContact CB-CB 4.46Å
86Q95.8Very high94.8Very high93 Ų9350.5 Ų50.544%0.43528%0.277SS..BIsolated β-bridgetrans-65.8153179.1-68.4-170.1-3.600112.4M116 Y117Q86-M116 PolarHBondContact N-O 3.04Å; Q86-Y117 HydrophobicContact CB-CD1 3.69Å; Q86-Y117 HydrophobicContact CB-CE1 3.45Å; Q86-Y117 VanDerWaalsContact CB-CE1 3.45Å; Q86-Y117 PolarHBondContact OE1-OH 2.73Å; Q86-Y117 VanDerWaalsContact OE1-OH 3.08Å
87G94.3Very high94.7Very high18 Ų1852.1 Ų52.119%0.18629%0.291CS..PPolyproline II helixtrans-69.5135.6172.800000110.9
88R96.8Very high94.7Very high54 Ų5454.8 Ų54.820%0.20431%0.305CS..SBendtrans-88-16.7-175.4-61.1164.1-74.7-148.5-5.8113.9I73 N75 F90 L91 Y117 G119 F120I73-R88 HydrophobicContact CD1-CB 3.54Å; I73-R88 HydrophobicContact CD1-CG 4.48Å; N75-R88 PolarHBondContact OD1-NE 3.47Å; N75-R88 PolarHBondContact OD1-NH2 3.27Å; N75-R88 VanDerWaalsContact OD1-NH2 3.1Å; R88-F90 PolarHBondContact O-N 3.33Å; R88-L91 HydrophobicContact CB-CD1 4.28Å; R88-L91 VanDerWaalsContact O-CB 3.23Å; R88-L91 WeakPolarHBondContact O-CB 3.46Å; R88-L91 WeakPolarHBondContact O-CG 3.42Å; R88-L91 PolarHBondContact O-N 3.06Å; R88-Y117 HydrophobicContact CG-CD1 3.9Å; R88-Y117 HydrophobicContact CG-CG 4.35Å; R88-G119 PolarHBondContact NH1-O 3.49Å; R88-F120 HydrophobicContact CG-CB 4.37Å; R88-F120 HydrophobicContact CG-CD1 4.36Å
89G97.5Very high94.4Very high18 Ų1856.4 Ų56.419%0.18631%0.312CS..Hα-helixtrans-61.8-28.5-176.800000113.5S60 L91 V92 S93S60-G89 PolarHBondContact N-O 2.91Å; S60-G89 WeakPolarHBondContact O-CA 3.17Å; G89-L91 VanDerWaalsContact C-N 3.26Å; G89-L91 PolarHBondContact O-N 3.41Å; G89-V92 PolarHBondContact O-N 3.1Å; G89-S93 PolarHBondContact O-N 3.3Å
90F98.1Very high94.6Very high73 Ų7363 Ų6332%0.3234%0.341SS..Hα-helixtrans-69-23175.6-65.5-66.2000113.4E57 R88 V92 S93 N94E57-F90 VanDerWaalsContact O-CE1 3.28Å; E57-F90 WeakPolarHBondContact O-CE1 3.43Å; E57-F90 VanDerWaalsContact O-CZ 3.27Å; E57-F90 WeakPolarHBondContact O-CZ 3.31Å; R88-F90 PolarHBondContact O-N 3.33Å; F90-V92 PolarHBondContact O-N 2.71Å; F90-S93 WeakPolarHBondContact CA-OG 3.34Å; F90-S93 PolarHBondContact O-N 2.81Å; F90-S93 PolarHBondContact O-OG 2.99Å; F90-N94 WeakPolarHBondContact O-CB 3.37Å; F90-N94 PolarHBondContact O-N 3.49Å; F90-N94 PolarHBondContact O-ND2 3.07Å; F90-N94 PolarHBondContact O-OD1 3.46Å
91L98.5Very high95Very high7 Ų755.5 Ų55.54%0.03731%0.308CS..Hα-helixtrans-62-29.6173.9-60.9174.9000111.7I73 R88 G89 Y106 V110 Y117 F120 L122I73-L91 HydrophobicContact CD1-CB 4.47Å; I73-L91 HydrophobicContact CD1-CD1 4.11Å; R88-L91 HydrophobicContact CB-CD1 4.28Å; R88-L91 VanDerWaalsContact O-CB 3.23Å; R88-L91 WeakPolarHBondContact O-CB 3.46Å; R88-L91 WeakPolarHBondContact O-CG 3.42Å; R88-L91 PolarHBondContact O-N 3.06Å; G89-L91 VanDerWaalsContact C-N 3.26Å; G89-L91 PolarHBondContact O-N 3.41Å; L91-Y106 WeakPolarHBondContact O-CE1 3.47Å; L91-Y106 PolarHBondContact O-OH 3.29Å; L91-V110 HydrophobicContact CD1-CG1 4.32Å; L91-V110 HydrophobicContact CD2-CG1 4.01Å; L91-V110 HydrophobicContact CD2-CG2 4Å; L91-Y117 HydrophobicContact CD1-CD1 4.4Å; L91-Y117 HydrophobicContact CD1-CE1 4.31Å; L91-Y117 HydrophobicContact CD1-CE2 4.44Å; L91-Y117 HydrophobicContact CD2-CE1 4.28Å; L91-Y117 HydrophobicContact CD2-CE2 4.09Å; L91-Y117 HydrophobicContact CG-CE1 4.29Å; L91-F120 HydrophobicContact CD1-CD1 4.46Å; L91-F120 HydrophobicContact CD1-CD2 4.2Å; L91-F120 HydrophobicContact CD1-CE1 4.08Å; L91-F120 HydrophobicContact CD1-CE2 3.8Å; L91-F120 HydrophobicContact CD1-CZ 3.74Å; L91-L122 HydrophobicContact CB-CD2 4.06Å
92V98.6Very high95.3Very high0 Ų054.7 Ų54.70%030%0.299CS..Hα-helixtrans-80.6-54.7176.3179.20000110.1A71 I73 G89 F90 N94 Y95 L96 L122A71-V92 HydrophobicContact CB-CB 4.4Å; A71-V92 HydrophobicContact CB-CG1 3.86Å; I73-V92 HydrophobicContact CB-CG2 3.72Å; I73-V92 HydrophobicContact CG2-CG2 3.59Å; G89-V92 PolarHBondContact O-N 3.1Å; F90-V92 PolarHBondContact O-N 2.71Å; V92-N94 VanDerWaalsContact C-N 3.33Å; V92-N94 PolarHBondContact O-N 3.05Å; V92-Y95 PolarHBondContact O-N 3.05Å; V92-L96 HydrophobicContact CG1-CD1 3.93Å; V92-L96 WeakPolarHBondContact O-CG 3.3Å; V92-L96 PolarHBondContact O-N 3.23Å; V92-L96 VanDerWaalsContact O-N 3.12Å; V92-L122 HydrophobicContact CG2-CD1 4.16Å
93S97.9Very high95.4Very high5 Ų550.9 Ų50.94%0.03528%0.279CS..Hα-helixtrans-63-38.4-175.760.10000112.6G58 G89 F90 Y95 L96 V97G58-S93 WeakPolarHBondContact O-CB 3.2Å; G58-S93 PolarHBondContact O-OG 3.05Å; G89-S93 PolarHBondContact O-N 3.3Å; F90-S93 WeakPolarHBondContact CA-OG 3.34Å; F90-S93 PolarHBondContact O-N 2.81Å; F90-S93 PolarHBondContact O-OG 2.99Å; S93-Y95 PolarHBondContact O-N 2.91Å; S93-L96 PolarHBondContact O-N 3.38Å; S93-V97 VanDerWaalsContact O-CG2 3.29Å; S93-V97 WeakPolarHBondContact O-CG2 3.45Å; S93-V97 PolarHBondContact O-N 2.8Å
94N97.8Very high95.7Very high89 Ų8948.3 Ų48.348%0.47625%0.254SS..Hα-helixtrans-64.8-40179.5-67-6.8000111.5F90 V92 V97 D98 Y106F90-N94 WeakPolarHBondContact O-CB 3.37Å; F90-N94 PolarHBondContact O-N 3.49Å; F90-N94 PolarHBondContact O-ND2 3.07Å; F90-N94 PolarHBondContact O-OD1 3.46Å; V92-N94 VanDerWaalsContact C-N 3.33Å; V92-N94 PolarHBondContact O-N 3.05Å; N94-V97 PolarHBondContact O-N 2.76Å; N94-D98 WeakPolarHBondContact O-CB 2.88Å; N94-D98 PolarHBondContact O-N 2.8Å; N94-Y106 WeakPolarHBondContact CB-OH 3.42Å
95Y98.3Very high95.9Very high0 Ų043.8 Ų43.80%023%0.234CC..Hα-helixtrans-63.6-42.6174-179.2-109.4000112H69 L70 A71 V92 S93 V97 D98 V101 S103 Y106 T124 A125 E126H69-Y95 HydrophobicContact CB-CD1 4.44Å; H69-Y95 HydrophobicContact CB-CE1 3.86Å; L70-Y95 WeakPolarHBondContact O-CE1 3.35Å; A71-Y95 HydrophobicContact CB-CD1 3.59Å; A71-Y95 HydrophobicContact CB-CE1 4.36Å; A71-Y95 HydrophobicContact CB-CG 4.34Å; V92-Y95 PolarHBondContact O-N 3.05Å; S93-Y95 PolarHBondContact O-N 2.91Å; Y95-V97 VanDerWaalsContact C-N 3.27Å; Y95-V97 PolarHBondContact O-N 3.43Å; Y95-D98 PolarHBondContact O-N 2.9Å; Y95-V101 HydrophobicContact CD2-CG1 4.09Å; Y95-V101 HydrophobicContact CE2-CG1 4.26Å; Y95-S103 PolarHBondContact OH-OG 3.05Å; Y95-Y106 AromaticContact CD2-CD1 3.59Å; Y95-Y106 HydrophobicContact CD2-CD1 3.59Å; Y95-Y106 AromaticContact CD2-CD2 3.87Å; Y95-Y106 HydrophobicContact CD2-CD2 3.87Å; Y95-Y106 HydrophobicContact CD2-CE1 4.13Å; Y95-Y106 HydrophobicContact CD2-CE2 4.38Å; Y95-Y106 AromaticContact CD2-CG 3.43Å; Y95-Y106 HydrophobicContact CD2-CG 3.43Å; Y95-Y106 VanDerWaalsContact CD2-CG 3.43Å; Y95-Y106 HydrophobicContact CE2-CD1 4.45Å; Y95-Y106 HydrophobicContact CE2-CG 4.18Å; Y95-Y106 HydrophobicContact CG-CD1 4.06Å; Y95-Y106 HydrophobicContact CG-CE1 4.18Å; Y95-Y106 HydrophobicContact CG-CG 4.28Å; Y95-Y106 PolarHBondContact N-OH 3.17Å; Y95-T124 HydrophobicContact CD1-CG2 4.06Å; Y95-T124 HydrophobicContact CD2-CG2 4.15Å; Y95-T124 HydrophobicContact CE1-CG2 4.11Å; Y95-T124 HydrophobicContact CE2-CG2 4.21Å; Y95-T124 HydrophobicContact CG-CG2 4.05Å; Y95-A125 PolarHBondContact OH-O 3.36Å; Y95-E126 WeakPolarHBondContact OH-CG 3.39Å
96L97.6Very high96Very high3 Ų343.9 Ų43.92%0.01623%0.23CC..Hα-helixtrans-67.8-28.2-179-65172.9000113I46 H69 V92 S93I46-L96 HydrophobicContact CD1-CB 4.12Å; I46-L96 WeakPolarHBondContact CD1-O 3.43Å; I46-L96 HydrophobicContact CG1-CB 4.41Å; I46-L96 HydrophobicContact CG2-CB 3.88Å; I46-L96 HydrophobicContact CG2-CD1 3.87Å; I46-L96 HydrophobicContact CG2-CG 4.39Å; H69-L96 HydrophobicContact CB-CD2 4.5Å; H69-L96 VanDerWaalsContact O-CD2 3.24Å; H69-L96 WeakPolarHBondContact O-CD2 3.41Å; V92-L96 HydrophobicContact CG1-CD1 3.93Å; V92-L96 WeakPolarHBondContact O-CG 3.3Å; V92-L96 PolarHBondContact O-N 3.23Å; V92-L96 VanDerWaalsContact O-N 3.12Å; S93-L96 PolarHBondContact O-N 3.38Å
97V96.4Very high96.1Very high75 Ų7539.4 Ų39.446%0.45521%0.21SC..Hα-helixtrans-83.7-34.9178.11710000112.1W40 I46 S93 N94 Y95 K99W40-V97 HydrophobicContact CH2-CG2 3.85Å; W40-V97 HydrophobicContact CZ3-CG2 3.75Å; I46-V97 HydrophobicContact CD1-CB 4.38Å; I46-V97 HydrophobicContact CD1-CG2 3.57Å; S93-V97 VanDerWaalsContact O-CG2 3.29Å; S93-V97 WeakPolarHBondContact O-CG2 3.45Å; S93-V97 PolarHBondContact O-N 2.8Å; N94-V97 PolarHBondContact O-N 2.76Å; Y95-V97 VanDerWaalsContact C-N 3.27Å; Y95-V97 PolarHBondContact O-N 3.43Å; V97-K99 PolarHBondContact O-N 3.22Å
98D93.4Very high96.3Very high58 Ų5842.7 Ų42.731%0.3122%0.219SC..  trans-77.5102.1-178.9-171.2-16.2000111H69 N94 Y95 D100 V101H69-D98 PolarHBondContact CE1-O 2.9Å; H69-D98 VanDerWaalsContact CE1-O 3.31Å; H69-D98 PolarHBondContact ND1-O 2.86Å; N94-D98 WeakPolarHBondContact O-CB 2.88Å; N94-D98 PolarHBondContact O-N 2.8Å; Y95-D98 PolarHBondContact O-N 2.9Å; D98-D100 VanDerWaalsContact C-N 3.31Å; D98-D100 PolarHBondContact O-N 3.21Å; D98-D100 PolarHBondContact OD1-N 3.45Å; D98-V101 HydrophobicContact CB-CG1 3.71Å; D98-V101 PolarHBondContact OD1-N 3.47Å; D98-V101 WeakPolarHBondContact OD2-CG1 3.45Å
99K85.6Confident96.4Very high71 Ų7146 Ų4631%0.30924%0.235SC..SBendtrans-77.6-18.3-172.8-54.1-179.7-171.2-160.50113.5E45 V97E45-K99 WeakPolarHBondContact OE1-CE 3.39Å; E45-K99 IonicContact OE1-NZ 2.61Å; E45-K99 PolarHBondContact OE1-NZ 3.47Å; E45-K99 WeakPolarHBondContact OE2-CE 3.37Å; E45-K99 IonicContact OE2-NZ 2.86Å; E45-K99 PolarHBondContact OE2-NZ 3.36Å; V97-K99 PolarHBondContact O-N 3.22Å
100D88.9Confident96.4Very high158 Ų15845.7 Ų45.785%0.84523%0.229SC*.SBendtrans-106.4-13.5-166.2-60.9-43.6000112.3D98D98-D100 VanDerWaalsContact C-N 3.31Å; D98-D100 PolarHBondContact O-N 3.21Å; D98-D100 PolarHBondContact OD1-N 3.45Å
101V94.4Very high96.4Very high10 Ų1043 Ų436%0.06122%0.22CC..  trans-85.7131.217974.40000111.9Y95 D98 Y106Y95-V101 HydrophobicContact CD2-CG1 4.09Å; Y95-V101 HydrophobicContact CE2-CG1 4.26Å; D98-V101 HydrophobicContact CB-CG1 3.71Å; D98-V101 PolarHBondContact OD1-N 3.47Å; D98-V101 WeakPolarHBondContact OD2-CG1 3.45Å; V101-Y106 HydrophobicContact CG1-CD2 3.87Å; V101-Y106 HydrophobicContact CG1-CG 4.36Å; V101-Y106 HydrophobicContact CG2-CD2 4.31Å
102D95.6Very high96.4Very high56 Ų5646 Ų4630%0.29925%0.245SC..  trans-78156.3170.776.185.4000111.7Y104 S105 Y106 E126D102-Y104 VanDerWaalsContact C-N 3.32Å; D102-Y104 PolarHBondContact O-N 3.06Å; D102-Y104 PolarHBondContact OD1-N 3.09Å; D102-S105 VanDerWaalsContact CG-OG 3.27Å; D102-S105 PolarHBondContact O-N 2.65Å; D102-S105 PolarHBondContact OD1-N 3.47Å; D102-S105 PolarHBondContact OD1-OG 2.99Å; D102-S105 WeakPolarHBondContact OD2-CB 3.27Å; D102-S105 PolarHBondContact OD2-OG 2.93Å; D102-Y106 WeakPolarHBondContact O-CB 3.26Å; D102-Y106 PolarHBondContact O-N 2.99Å; D102-E126 VanDerWaalsContact CA-OE2 3.26Å; D102-E126 WeakPolarHBondContact CA-OE2 3.44Å; D102-E126 VanDerWaalsContact CB-OE2 3.3Å; D102-E126 WeakPolarHBondContact CB-OE2 3.46Å
103S96.9Very high96.3Very high0 Ų050.2 Ų50.20%027%0.268CS..Hα-helixtrans-52.6-46.2-176.4-102.90000113.3Y95 L107 T124 A125 E126Y95-S103 PolarHBondContact OH-OG 3.05Å; S103-L107 WeakPolarHBondContact O-CG 3.41Å; S103-L107 PolarHBondContact O-N 3.23Å; S103-T124 WeakPolarHBondContact CB-OG1 3.5Å; S103-T124 PolarHBondContact O-OG1 3.4Å; S103-T124 VanDerWaalsContact OG-C 3.25Å; S103-T124 VanDerWaalsContact OG-CB 3.32Å; S103-T124 WeakPolarHBondContact OG-CB 3.38Å; S103-T124 PolarHBondContact OG-O 3.43Å; S103-T124 PolarHBondContact OG-OG1 3.29Å; S103-A125 WeakPolarHBondContact OG-CA 3.42Å; S103-A125 PolarHBondContact OG-N 3.11Å; S103-E126 PolarHBondContact N-OE2 3.36Å
104Y97.6Very high96.2Very high66 Ų6650.1 Ų50.126%0.25927%0.268SS..Hα-helixtrans-73.4-45.1-174.6-173.6-90.4000110.9D102 Y106 L107 K108 P145 R147D102-Y104 VanDerWaalsContact C-N 3.32Å; D102-Y104 PolarHBondContact O-N 3.06Å; D102-Y104 PolarHBondContact OD1-N 3.09Å; Y104-Y106 VanDerWaalsContact C-N 3.29Å; Y104-Y106 PolarHBondContact O-N 2.81Å; Y104-L107 PolarHBondContact O-N 2.79Å; Y104-K108 WeakPolarHBondContact O-CB 3.49Å; Y104-K108 PolarHBondContact O-N 2.85Å; Y104-P145 HydrophobicContact CD2-CG 4.28Å; Y104-P145 HydrophobicContact CE1-CG 4.45Å; Y104-P145 HydrophobicContact CE2-CB 4.26Å; Y104-P145 HydrophobicContact CE2-CG 3.8Å; Y104-P145 VanDerWaalsContact CE2-O 3.31Å; Y104-P145 WeakPolarHBondContact CE2-O 3.48Å; Y104-P145 PolarHBondContact OH-O 2.6Å; Y104-R147 HydrophobicContact CD2-CG 3.91Å; Y104-R147 HydrophobicContact CE2-CG 4.45Å
105S97.9Very high96.1Very high48 Ų4852.6 Ų52.634%0.33628%0.276SS..Hα-helixtrans-61.9-37.5177.1-64.40000112.2D102 K108 K109D102-S105 VanDerWaalsContact CG-OG 3.27Å; D102-S105 PolarHBondContact O-N 2.65Å; D102-S105 PolarHBondContact OD1-N 3.47Å; D102-S105 PolarHBondContact OD1-OG 2.99Å; D102-S105 WeakPolarHBondContact OD2-CB 3.27Å; D102-S105 PolarHBondContact OD2-OG 2.93Å; S105-K108 PolarHBondContact O-N 3.08Å; S105-K109 WeakPolarHBondContact O-CG 3.44Å; S105-K109 PolarHBondContact O-N 3.12Å; S105-K109 VanDerWaalsContact O-N 3.09Å
106Y98.4Very high96Very high19 Ų1956.4 Ų56.48%0.07530%0.295CS..Hα-helixtrans-62.1-51.8174.3-175.2-98.3000111.4L91 N94 Y95 V101 D102 Y104 K108 K109 V110 L122 T124L91-Y106 WeakPolarHBondContact O-CE1 3.47Å; L91-Y106 PolarHBondContact O-OH 3.29Å; N94-Y106 WeakPolarHBondContact CB-OH 3.42Å; Y95-Y106 AromaticContact CD2-CD1 3.59Å; Y95-Y106 HydrophobicContact CD2-CD1 3.59Å; Y95-Y106 AromaticContact CD2-CD2 3.87Å; Y95-Y106 HydrophobicContact CD2-CD2 3.87Å; Y95-Y106 HydrophobicContact CD2-CE1 4.13Å; Y95-Y106 HydrophobicContact CD2-CE2 4.38Å; Y95-Y106 AromaticContact CD2-CG 3.43Å; Y95-Y106 HydrophobicContact CD2-CG 3.43Å; Y95-Y106 VanDerWaalsContact CD2-CG 3.43Å; Y95-Y106 HydrophobicContact CE2-CD1 4.45Å; Y95-Y106 HydrophobicContact CE2-CG 4.18Å; Y95-Y106 HydrophobicContact CG-CD1 4.06Å; Y95-Y106 HydrophobicContact CG-CE1 4.18Å; Y95-Y106 HydrophobicContact CG-CG 4.28Å; Y95-Y106 PolarHBondContact N-OH 3.17Å; V101-Y106 HydrophobicContact CG1-CD2 3.87Å; V101-Y106 HydrophobicContact CG1-CG 4.36Å; V101-Y106 HydrophobicContact CG2-CD2 4.31Å; D102-Y106 WeakPolarHBondContact O-CB 3.26Å; D102-Y106 PolarHBondContact O-N 2.99Å; Y104-Y106 VanDerWaalsContact C-N 3.29Å; Y104-Y106 PolarHBondContact O-N 2.81Å; Y106-K108 PolarHBondContact O-N 3.33Å; Y106-K109 WeakPolarHBondContact O-CB 3.26Å; Y106-K109 PolarHBondContact O-N 2.64Å; Y106-K109 VanDerWaalsContact O-N 3.11Å; Y106-V110 HydrophobicContact CD1-CG2 3.99Å; Y106-V110 HydrophobicContact CE1-CG2 3.61Å; Y106-V110 WeakPolarHBondContact O-CG2 3.43Å; Y106-V110 PolarHBondContact O-N 2.9Å; Y106-L122 HydrophobicContact CE1-CD2 4.17Å; Y106-T124 HydrophobicContact CD1-CG2 4.02Å
107L98.6Very high96Very high0 Ų057.7 Ų57.70%030%0.3CS..Hα-helixtrans-62.3-31.8178.2-70-175.3000112.9S103 Y104 V110 S111 L122 T124 C135 P145S103-L107 WeakPolarHBondContact O-CG 3.41Å; S103-L107 PolarHBondContact O-N 3.23Å; Y104-L107 PolarHBondContact O-N 2.79Å; L107-V110 PolarHBondContact O-N 3.15Å; L107-S111 WeakPolarHBondContact O-CB 3.45Å; L107-S111 PolarHBondContact O-N 3.23Å; L107-L122 HydrophobicContact CD2-CB 4.09Å; L107-L122 HydrophobicContact CD2-CD2 3.49Å; L107-L122 VanDerWaalsContact CD2-CD2 3.49Å; L107-L122 HydrophobicContact CD2-CG 3.7Å; L107-T124 HydrophobicContact CD2-CG2 3.74Å; L107-T124 HydrophobicContact CG-CG2 3.98Å; L107-C135 HydrophobicContact CD1-CB 3.43Å; L107-C135 VanDerWaalsContact CD1-CB 3.43Å; L107-P145 HydrophobicContact CB-CB 3.62Å; L107-P145 HydrophobicContact CB-CG 4.05Å; L107-P145 HydrophobicContact CD1-CB 4.08Å
108K98.3Very high96.1Very high87 Ų8755.3 Ų55.338%0.37828%0.284SS..Hα-helixtrans-66.8-36.8175.5-176.864.3179.4-172.70112.3Y104 S105 Y106 S111 A112 E144 P145Y104-K108 WeakPolarHBondContact O-CB 3.49Å; Y104-K108 PolarHBondContact O-N 2.85Å; S105-K108 PolarHBondContact O-N 3.08Å; Y106-K108 PolarHBondContact O-N 3.33Å; K108-S111 PolarHBondContact O-OG 2.75Å; K108-S111 VanDerWaalsContact O-OG 3.06Å; K108-A112 PolarHBondContact O-N 2.86Å; K108-E144 WeakPolarHBondContact CD-OE2 3.3Å; K108-E144 IonicContact NZ-OE1 3.89Å; K108-E144 PolarHBondContact NZ-OE1 2.96Å; K108-E144 IonicContact NZ-OE2 3.32Å; K108-E144 PolarHBondContact NZ-OE2 3.07Å; K108-P145 HydrophobicContact CB-CG 4.29Å
109K97.7Very high96.3Very high124 Ų12452.5 Ų52.554%0.53927%0.269SS..Hα-helixtrans-65.4-48170.6-67.5173.2-174.6176.10110.4S105 Y106 S111 A112S105-K109 WeakPolarHBondContact O-CG 3.44Å; S105-K109 PolarHBondContact O-N 3.12Å; S105-K109 VanDerWaalsContact O-N 3.09Å; Y106-K109 WeakPolarHBondContact O-CB 3.26Å; Y106-K109 PolarHBondContact O-N 2.64Å; Y106-K109 VanDerWaalsContact O-N 3.11Å; K109-S111 VanDerWaalsContact C-N 3.25Å; K109-S111 PolarHBondContact O-N 3.09Å; K109-A112 WeakPolarHBondContact O-CB 3.21Å; K109-A112 PolarHBondContact O-N 2.87Å
110V98.3Very high96.9Very high10 Ų1049.1 Ų49.16%0.06126%0.255CS..Hα-helixtrans-59.2-36.2177.7173.40000111.9L91 Y106 L107 A112 D113 G114 F120 L122 Y137L91-V110 HydrophobicContact CD1-CG1 4.32Å; L91-V110 HydrophobicContact CD2-CG1 4.01Å; L91-V110 HydrophobicContact CD2-CG2 4Å; Y106-V110 HydrophobicContact CD1-CG2 3.99Å; Y106-V110 HydrophobicContact CE1-CG2 3.61Å; Y106-V110 WeakPolarHBondContact O-CG2 3.43Å; Y106-V110 PolarHBondContact O-N 2.9Å; L107-V110 PolarHBondContact O-N 3.15Å; V110-A112 VanDerWaalsContact C-N 3.34Å; V110-A112 PolarHBondContact O-N 2.91Å; V110-D113 CarbonylContact O-C 3.55Å; V110-D113 PolarHBondContact O-N 3.4Å; V110-G114 PolarHBondContact O-N 2.99Å; V110-F120 HydrophobicContact CG1-CE2 4.12Å; V110-F120 HydrophobicContact CG1-CZ 3.71Å; V110-L122 HydrophobicContact CG1-CD2 4.31Å; V110-L122 HydrophobicContact CG2-CD2 4.43Å; V110-Y137 HydrophobicContact CG1-CD1 4.25Å; V110-Y137 HydrophobicContact CG1-CE1 4.32Å
111S98.2Very high97.4Very high18 Ų1841.6 Ų41.613%0.12621%0.214CC..Hα-helixtrans-70-29.3-178.777.60000113.4L107 K108 K109 D113 G114 Y137 S143L107-S111 WeakPolarHBondContact O-CB 3.45Å; L107-S111 PolarHBondContact O-N 3.23Å; K108-S111 PolarHBondContact O-OG 2.75Å; K108-S111 VanDerWaalsContact O-OG 3.06Å; K109-S111 VanDerWaalsContact C-N 3.25Å; K109-S111 PolarHBondContact O-N 3.09Å; S111-D113 VanDerWaalsContact C-N 3.28Å; S111-D113 PolarHBondContact O-N 2.91Å; S111-G114 PolarHBondContact O-N 2.96Å; S111-Y137 VanDerWaalsContact CB-CE2 3.42Å; S111-Y137 VanDerWaalsContact CB-CZ 3.42Å; S111-S143 WeakPolarHBondContact CB-O 3.29Å; S111-S143 PolarHBondContact OG-O 2.86Å
112A97.6Very high97.6Very high69 Ų6941.1 Ų41.157%0.5721%0.212SC*.Hα-helixtrans-63.5-36.9172.200000111.8K108 K109 V110 H115K108-A112 PolarHBondContact O-N 2.86Å; K109-A112 WeakPolarHBondContact O-CB 3.21Å; K109-A112 PolarHBondContact O-N 2.87Å; V110-A112 VanDerWaalsContact C-N 3.34Å; V110-A112 PolarHBondContact O-N 2.91Å; A112-H115 PolarHBondContact O-ND1 3.39Å
113D96.9Very high97.7Very high89 Ų8938.6 Ų38.648%0.47620%0.198SC..THydrogen-bonded Turntrans-989-179.1-61.9-34.1000113.3V110 S111 H115 M116 Y117V110-D113 CarbonylContact O-C 3.55Å; V110-D113 PolarHBondContact O-N 3.4Å; S111-D113 VanDerWaalsContact C-N 3.28Å; S111-D113 PolarHBondContact O-N 2.91Å; D113-H115 PolarHBondContact O-N 3.36Å; D113-M116 HydrophobicContact CB-CG 4.43Å; D113-M116 VanDerWaalsContact O-CB 3.31Å; D113-M116 WeakPolarHBondContact O-CB 3.47Å; D113-M116 WeakPolarHBondContact O-CG 3.42Å; D113-M116 PolarHBondContact O-N 3.48Å; D113-Y117 WeakPolarHBondContact O-CD2 3.39Å
114G96.3Very high97.8Very high3 Ų338.6 Ų38.63%0.03120%0.198CC..G310 helixtrans-58.4-24.7-172.700000114.4V110 S111 M116 Y117 N139V110-G114 PolarHBondContact O-N 2.99Å; S111-G114 PolarHBondContact O-N 2.96Å; G114-M116 VanDerWaalsContact C-N 3.28Å; G114-M116 PolarHBondContact O-N 2.67Å; G114-Y117 PolarHBondContact O-N 3.31Å; G114-N139 PolarHBondContact O-ND2 3.36Å
115H95.5Very high97.9Very high141 Ų14135.6 Ų35.665%0.65319%0.186SC*.G310 helixtrans-70.8-18.5177.268.1-82000113.9A112 D113 Y117A112-H115 PolarHBondContact O-ND1 3.39Å; D113-H115 PolarHBondContact O-N 3.36Å; H115-Y117 PolarHBondContact O-N 2.88Å
116M97Very high97.7Very high80 Ų8033.8 Ų33.839%0.39417%0.173SC..G310 helixtrans-75.5-10.2178.5-60.2-65-70.400113.1Q86 D113 G114Q86-M116 PolarHBondContact N-O 3.04Å; D113-M116 HydrophobicContact CB-CG 4.43Å; D113-M116 VanDerWaalsContact O-CB 3.31Å; D113-M116 WeakPolarHBondContact O-CB 3.47Å; D113-M116 WeakPolarHBondContact O-CG 3.42Å; D113-M116 PolarHBondContact O-N 3.48Å; G114-M116 VanDerWaalsContact C-N 3.28Å; G114-M116 PolarHBondContact O-N 2.67Å
117Y97.7Very high97.6Very high30 Ų3033 Ų3312%0.11817%0.17CC..BIsolated β-bridgetrans-118148.9-173.6-55-83.2000112.3Q86 R88 L91 D113 G114 H115 F120 N139Q86-Y117 HydrophobicContact CB-CD1 3.69Å; Q86-Y117 HydrophobicContact CB-CE1 3.45Å; Q86-Y117 VanDerWaalsContact CB-CE1 3.45Å; Q86-Y117 PolarHBondContact OE1-OH 2.73Å; Q86-Y117 VanDerWaalsContact OE1-OH 3.08Å; R88-Y117 HydrophobicContact CG-CD1 3.9Å; R88-Y117 HydrophobicContact CG-CG 4.35Å; L91-Y117 HydrophobicContact CD1-CD1 4.4Å; L91-Y117 HydrophobicContact CD1-CE1 4.31Å; L91-Y117 HydrophobicContact CD1-CE2 4.44Å; L91-Y117 HydrophobicContact CD2-CE1 4.28Å; L91-Y117 HydrophobicContact CD2-CE2 4.09Å; L91-Y117 HydrophobicContact CG-CE1 4.29Å; D113-Y117 WeakPolarHBondContact O-CD2 3.39Å; G114-Y117 PolarHBondContact O-N 3.31Å; H115-Y117 PolarHBondContact O-N 2.88Å; Y117-F120 AromaticContact CD2-CE1 3.91Å; Y117-F120 HydrophobicContact CD2-CE1 3.91Å; Y117-F120 HydrophobicContact CG-CD1 4.39Å; Y117-F120 AromaticContact CG-CE1 3.99Å; Y117-F120 HydrophobicContact CG-CE1 3.99Å; Y117-N139 PolarHBondContact O-ND2 2.85Å
118N97.6Very high97Very high24 Ų2437.8 Ų37.813%0.12819%0.191CC..SBendtrans-59.7161.2158.8-73.4-40.6000110.3N82 A85 F120 N139N82-N118 WeakPolarHBondContact CB-OD1 3.18Å; N82-N118 PolarHBondContact N-OD1 2.86Å; N82-N118 PolarHBondContact O-ND2 2.89Å; N82-N118 PolarHBondContact O-OD1 2.62Å; A85-N118 HydrophobicContact CB-CB 4.46Å; N118-F120 WeakPolarHBondContact O-CD1 3.49Å; N118-F120 PolarHBondContact O-N 2.83Å; N118-N139 PolarHBondContact O-ND2 3.1Å
119G97.5Very high95.9Very high0 Ų038 Ų380%021%0.209CC..SBendtrans-54.3134.3-172.300000112.7Y76 E78 R88 N139 R140Y76-G119 PolarHBondContact N-O 2.98Å; E78-G119 WeakPolarHBondContact OE2-CA 3.23Å; E78-G119 PolarHBondContact OE2-N 2.86Å; R88-G119 PolarHBondContact NH1-O 3.49Å; G119-N139 VanDerWaalsContact CA-OD1 3.24Å; G119-N139 WeakPolarHBondContact CA-OD1 3.23Å; G119-R140 VanDerWaalsContact N-NH2 3.16Å
120F98.3Very high94.6Very high0 Ų042.1 Ų42.10%023%0.227CC..EExtended strand (participates in β ladder)trans-154.1164.7-17874.1-93000112.4I73 T74 R88 L91 V110 Y117 N118 L122 Y137 G138 N139I73-F120 HydrophobicContact CD1-CB 4.31Å; I73-F120 HydrophobicContact CD1-CD2 4.15Å; I73-F120 HydrophobicContact CD1-CG 4.42Å; I73-F120 HydrophobicContact CG1-CB 4.41Å; I73-F120 HydrophobicContact CG1-CD2 4.48Å; T74-F120 CarbonylContact O-C 3.59Å; T74-F120 WeakPolarHBondContact O-CA 3.33Å; R88-F120 HydrophobicContact CG-CB 4.37Å; R88-F120 HydrophobicContact CG-CD1 4.36Å; L91-F120 HydrophobicContact CD1-CD1 4.46Å; L91-F120 HydrophobicContact CD1-CD2 4.2Å; L91-F120 HydrophobicContact CD1-CE1 4.08Å; L91-F120 HydrophobicContact CD1-CE2 3.8Å; L91-F120 HydrophobicContact CD1-CZ 3.74Å; V110-F120 HydrophobicContact CG1-CE2 4.12Å; V110-F120 HydrophobicContact CG1-CZ 3.71Å; Y117-F120 AromaticContact CD2-CE1 3.91Å; Y117-F120 HydrophobicContact CD2-CE1 3.91Å; Y117-F120 HydrophobicContact CG-CD1 4.39Å; Y117-F120 AromaticContact CG-CE1 3.99Å; Y117-F120 HydrophobicContact CG-CE1 3.99Å; N118-F120 WeakPolarHBondContact O-CD1 3.49Å; N118-F120 PolarHBondContact O-N 2.83Å; F120-L122 HydrophobicContact CD2-CB 4.04Å; F120-L122 HydrophobicContact CE2-CB 3.87Å; F120-Y137 AromaticContact CE2-CD1 3.98Å; F120-Y137 HydrophobicContact CE2-CD1 3.98Å; F120-Y137 HydrophobicContact CE2-CE1 4.18Å; F120-Y137 HydrophobicContact CZ-CD1 4.07Å; F120-Y137 AromaticContact CZ-CE1 3.82Å; F120-Y137 HydrophobicContact CZ-CE1 3.82Å; F120-G138 VanDerWaalsContact O-CA 3.28Å; F120-G138 WeakPolarHBondContact O-CA 3.37Å; F120-N139 HydrophobicContact CD1-CB 4.06Å; F120-N139 VanDerWaalsContact CD1-ND2 3.26Å; F120-N139 WeakPolarHBondContact CD1-ND2 3.49Å; F120-N139 HydrophobicContact CE1-CB 3.65Å; F120-N139 VanDerWaalsContact CE1-CG 3.43Å; F120-N139 VanDerWaalsContact CE1-ND2 3.3Å; F120-N139 WeakPolarHBondContact CE1-ND2 3.46Å; F120-N139 HydrophobicContact CZ-CB 4.04Å; F120-N139 PolarHBondContact N-OD1 3.34Å; F120-N139 PolarHBondContact O-N 3.06Å; F120-N139 VanDerWaalsContact O-N 3.16Å; F120-N139 PolarHBondContact O-OD1 2.96Å
121N98.7Very high94Very high0 Ų047.8 Ų47.80%025%0.252CS..EExtended strand (participates in β ladder)trans-126.9132.7168.4-61.1-74.3000109.1I73 T74 Y136 Y137 L155 S158I73-N121 VanDerWaalsContact CA-O 3.3Å; I73-N121 WeakPolarHBondContact CA-O 3.27Å; I73-N121 VanDerWaalsContact CG1-O 3.27Å; I73-N121 WeakPolarHBondContact CG1-O 3.31Å; T74-N121 PolarHBondContact N-O 2.86Å; T74-N121 PolarHBondContact O-N 2.88Å; T74-N121 WeakPolarHBondContact OG1-CB 3.48Å; T74-N121 PolarHBondContact OG1-ND2 3.39Å; T74-N121 VanDerWaalsContact OG1-ND2 3.1Å; N121-Y136 HydrophobicContact CB-CE2 3.88Å; N121-Y136 PolarHBondContact OD1-OH 3.06Å; N121-Y137 CarbonylContact C-O 3.45Å; N121-Y137 WeakPolarHBondContact CA-O 3.35Å; N121-L155 HydrophobicContact CB-CD1 3.83Å; N121-L155 HydrophobicContact CB-CD2 3.75Å; N121-L155 HydrophobicContact CB-CG 4.23Å; N121-S158 PolarHBondContact ND2-O 3.38Å; N121-S158 PolarHBondContact OD1-O 3.3Å
122L98.8Very high93.7Very high0 Ų047.8 Ų47.80%025%0.251CS..EExtended strand (participates in β ladder)trans-124.4125.9179.2-176.161.2000109.5I73 L91 V92 Y106 L107 V110 F120 T124 Y136 Y137I73-L122 HydrophobicContact CB-CD1 4.19Å; I73-L122 HydrophobicContact CD1-CD1 4.5Å; I73-L122 HydrophobicContact CG1-CD1 4.49Å; L91-L122 HydrophobicContact CB-CD2 4.06Å; V92-L122 HydrophobicContact CG2-CD1 4.16Å; Y106-L122 HydrophobicContact CE1-CD2 4.17Å; L107-L122 HydrophobicContact CD2-CB 4.09Å; L107-L122 HydrophobicContact CD2-CD2 3.49Å; L107-L122 VanDerWaalsContact CD2-CD2 3.49Å; L107-L122 HydrophobicContact CD2-CG 3.7Å; V110-L122 HydrophobicContact CG1-CD2 4.31Å; V110-L122 HydrophobicContact CG2-CD2 4.43Å; F120-L122 HydrophobicContact CD2-CB 4.04Å; F120-L122 HydrophobicContact CE2-CB 3.87Å; L122-T124 HydrophobicContact CG-CG2 4.31Å; L122-Y136 WeakPolarHBondContact O-CA 3.36Å; L122-Y137 PolarHBondContact N-O 2.94Å; L122-Y137 PolarHBondContact O-N 2.86Å
123I98.9Very high93.6Very high3 Ų345.3 Ų45.32%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-103.6131.6167.6-66.4165.5000107.1L6 A71 A72 V134 C135 Y136 L155L6-I123 HydrophobicContact CD2-CD1 3.57Å; A71-I123 VanDerWaalsContact CA-O 3.26Å; A71-I123 WeakPolarHBondContact CA-O 3.3Å; A72-I123 PolarHBondContact N-O 3.18Å; A72-I123 PolarHBondContact O-N 3.21Å; I123-V134 HydrophobicContact CG2-CG1 3.96Å; I123-C135 WeakPolarHBondContact CA-O 3.45Å; I123-Y136 HydrophobicContact CG1-CD2 4.21Å; I123-L155 HydrophobicContact CD1-CD2 3.58Å; I123-L155 HydrophobicContact CG1-CD2 4.03Å
124T98.8Very high93.7Very high0 Ų041.4 Ų41.40%021%0.208CC..EExtended strand (participates in β ladder)trans-120.7146.2166.1610000108.9L70 A71 Y95 S103 Y106 L107 L122 C135L70-T124 CarbonylContact O-C 3.5Å; L70-T124 WeakPolarHBondContact O-CA 3.48Å; A71-T124 HydrophobicContact CB-CG2 4.5Å; Y95-T124 HydrophobicContact CD1-CG2 4.06Å; Y95-T124 HydrophobicContact CD2-CG2 4.15Å; Y95-T124 HydrophobicContact CE1-CG2 4.11Å; Y95-T124 HydrophobicContact CE2-CG2 4.21Å; Y95-T124 HydrophobicContact CG-CG2 4.05Å; S103-T124 WeakPolarHBondContact CB-OG1 3.5Å; S103-T124 PolarHBondContact O-OG1 3.4Å; S103-T124 VanDerWaalsContact OG-C 3.25Å; S103-T124 VanDerWaalsContact OG-CB 3.32Å; S103-T124 WeakPolarHBondContact OG-CB 3.38Å; S103-T124 PolarHBondContact OG-O 3.43Å; S103-T124 PolarHBondContact OG-OG1 3.29Å; Y106-T124 HydrophobicContact CD1-CG2 4.02Å; L107-T124 HydrophobicContact CD2-CG2 3.74Å; L107-T124 HydrophobicContact CG-CG2 3.98Å; L122-T124 HydrophobicContact CG-CG2 4.31Å; T124-C135 PolarHBondContact N-O 3.43Å; T124-C135 PolarHBondContact O-N 3.5Å
125A98.1Very high93.8Very high2 Ų241.2 Ų41.22%0.01721%0.207CC..EExtended strand (participates in β ladder)trans-140156173.100000111.8H69 L70 Y95 S103 F127 T133 V134H69-A125 WeakPolarHBondContact CA-O 3Å; L70-A125 HydrophobicContact CB-CB 4.3Å; L70-A125 HydrophobicContact CD2-CB 4.36Å; L70-A125 PolarHBondContact N-O 3.21Å; L70-A125 PolarHBondContact O-N 3.39Å; Y95-A125 PolarHBondContact OH-O 3.36Å; S103-A125 WeakPolarHBondContact OG-CA 3.42Å; S103-A125 PolarHBondContact OG-N 3.11Å; A125-F127 HydrophobicContact CB-CD2 4.39Å; A125-F127 HydrophobicContact CB-CE2 3.62Å; A125-F127 HydrophobicContact CB-CZ 3.95Å; A125-T133 CarbonylContact C-O 3.55Å; A125-T133 WeakPolarHBondContact CA-O 3.34Å; A125-T133 WeakPolarHBondContact CB-O 3.49Å; A125-V134 HydrophobicContact CB-CB 4.42Å; A125-V134 HydrophobicContact CB-CG1 4.38Å; A125-V134 HydrophobicContact CB-CG2 3.98Å
126E95.5Very high94Very high11 Ų1135.5 Ų35.55%0.05118%0.179CC..EExtended strand (participates in β ladder)trans-129.8121.6171.3-57.7-173.981.400108.5G68 H69 Y95 D102 S103 K128 D132 T133G68-E126 CarbonylContact O-C 3.46Å; G68-E126 WeakPolarHBondContact O-CA 3.19Å; H69-E126 IonicContact CD2-OE1 3.5Å; H69-E126 IonicContact NE2-OE1 3.15Å; H69-E126 PolarHBondContact NE2-OE1 3.33Å; Y95-E126 WeakPolarHBondContact OH-CG 3.39Å; D102-E126 VanDerWaalsContact CA-OE2 3.26Å; D102-E126 WeakPolarHBondContact CA-OE2 3.44Å; D102-E126 VanDerWaalsContact CB-OE2 3.3Å; D102-E126 WeakPolarHBondContact CB-OE2 3.46Å; S103-E126 PolarHBondContact N-OE2 3.36Å; E126-K128 WeakPolarHBondContact OE1-CE 3.3Å; E126-K128 IonicContact OE1-NZ 2.68Å; E126-K128 PolarHBondContact OE1-NZ 3.45Å; E126-D132 VanDerWaalsContact O-CA 3.32Å; E126-D132 WeakPolarHBondContact O-CA 3.18Å; E126-T133 PolarHBondContact N-O 3.27Å; E126-T133 PolarHBondContact O-N 3.3Å
127F94.6Very high94.1Very high2 Ų232.2 Ų32.21%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-10997176.1-64-78.8000109.4L20 G68 L70 A125 D132 I243 L273L20-F127 HydrophobicContact CB-CE1 3.9Å; L20-F127 HydrophobicContact CB-CZ 3.77Å; L20-F127 HydrophobicContact CD1-CZ 4.07Å; L20-F127 HydrophobicContact CD2-CE2 3.85Å; L20-F127 HydrophobicContact CD2-CZ 3.65Å; L20-F127 HydrophobicContact CG-CZ 4.02Å; G68-F127 WeakPolarHBondContact O-CD2 3.37Å; G68-F127 PolarHBondContact O-N 3.35Å; L70-F127 HydrophobicContact CB-CE2 4.18Å; L70-F127 HydrophobicContact CD1-CE2 4.39Å; A125-F127 HydrophobicContact CB-CD2 4.39Å; A125-F127 HydrophobicContact CB-CE2 3.62Å; A125-F127 HydrophobicContact CB-CZ 3.95Å; F127-D132 WeakPolarHBondContact CA-OD1 3.34Å; F127-D132 HydrophobicContact CD1-CB 4.23Å; F127-I243 HydrophobicContact CB-CD1 4.39Å; F127-I243 HydrophobicContact CD1-CD1 4.02Å; F127-I243 HydrophobicContact CD2-CD1 3.44Å; F127-I243 VanDerWaalsContact CD2-CD1 3.44Å; F127-I243 HydrophobicContact CE1-CD1 4.18Å; F127-I243 HydrophobicContact CE2-CD1 3.62Å; F127-I243 HydrophobicContact CG-CD1 3.67Å; F127-I243 HydrophobicContact CZ-CD1 4.01Å; F127-L273 HydrophobicContact CB-CD1 3.58Å
128K87.2Confident94.1Very high101 Ų10131 Ų3144%0.43916%0.159SC..  trans-117.5160-178-63.8179.9-175.2168.30110.4R19 E126 K130 Q131 D132R19-K128 PolarHBondContact NH2-O 2.94Å; R19-K128 VanDerWaalsContact NH2-O 3.17Å; E126-K128 WeakPolarHBondContact OE1-CE 3.3Å; E126-K128 IonicContact OE1-NZ 2.68Å; E126-K128 PolarHBondContact OE1-NZ 3.45Å; K128-K130 PolarHBondContact O-N 2.94Å; K128-Q131 PolarHBondContact O-N 3.4Å; K128-D132 PolarHBondContact N-OD1 3.48Å
129A74.8Confident94.1Very high92 Ų9230.7 Ų30.776%0.7616%0.158SC*.SBendtrans-55.4-22.9-176.100000115.2
130K71.1Confident94.1Very high210 Ų21035.2 Ų35.291%0.91318%0.175SC*.SBendtrans-118.6-19.4-173.8-64.1-176.6-179.3177.60115K128K128-K130 PolarHBondContact O-N 2.94Å
131Q84.7Confident93.9Very high128 Ų12837 Ų3760%0.59819%0.193SC*.  trans-158.6118-174.5-172.8169.930.100110.7K128K128-Q131 PolarHBondContact O-N 3.4Å
132D93.3Very high93.7Very high19 Ų1941.4 Ų41.410%0.10222%0.224CC..EExtended strand (participates in β ladder)trans-90.5132.8168.7-65.7-12.9000109.2P10 R19 E126 F127 K128P10-D132 HydrophobicContact CB-CB 4.05Å; P10-D132 HydrophobicContact CG-CB 4.13Å; R19-D132 IonicContact CZ-OD1 3.9Å; R19-D132 IonicContact CZ-OD2 3.71Å; R19-D132 IonicContact NE-OD1 2.74Å; R19-D132 IonicContact NE-OD2 2.8Å; R19-D132 PolarHBondContact NE-OD2 2.93Å; R19-D132 IonicContact NH2-OD1 3.18Å; R19-D132 PolarHBondContact NH2-OD1 2.92Å; R19-D132 IonicContact NH2-OD2 3.63Å; R19-D132 PolarHBondContact NH2-OD2 3.29Å; E126-D132 VanDerWaalsContact O-CA 3.32Å; E126-D132 WeakPolarHBondContact O-CA 3.18Å; F127-D132 WeakPolarHBondContact CA-OD1 3.34Å; F127-D132 HydrophobicContact CD1-CB 4.23Å; K128-D132 PolarHBondContact N-OD1 3.48Å
133T95.4Very high93.5Very high17 Ų1745.6 Ų45.610%0.10425%0.253CS..EExtended strand (participates in β ladder)trans-126.2130.8175.6-60.40000108.3A125 E126 C135A125-T133 CarbonylContact C-O 3.55Å; A125-T133 WeakPolarHBondContact CA-O 3.34Å; A125-T133 WeakPolarHBondContact CB-O 3.49Å; E126-T133 PolarHBondContact N-O 3.27Å; E126-T133 PolarHBondContact O-N 3.3Å; T133-C135 VanDerWaalsContact CG2-SG 3.55Å
134V98.2Very high93.4Very high6 Ų649.2 Ų49.24%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-124126.8169.7-173.30000107.2F8 I123 A125 L148F8-V134 HydrophobicContact CB-CG2 4.34Å; F8-V134 HydrophobicContact CD1-CB 4.37Å; F8-V134 HydrophobicContact CD1-CG2 4.02Å; F8-V134 HydrophobicContact CD2-CB 4.44Å; F8-V134 HydrophobicContact CD2-CG2 3.64Å; F8-V134 HydrophobicContact CE1-CB 4.05Å; F8-V134 HydrophobicContact CE1-CG1 4.4Å; F8-V134 HydrophobicContact CE1-CG2 4.14Å; F8-V134 HydrophobicContact CE2-CB 4.15Å; F8-V134 HydrophobicContact CE2-CG2 3.8Å; F8-V134 HydrophobicContact CG-CG2 3.74Å; F8-V134 HydrophobicContact CZ-CB 3.92Å; F8-V134 HydrophobicContact CZ-CG2 4.03Å; I123-V134 HydrophobicContact CG2-CG1 3.96Å; A125-V134 HydrophobicContact CB-CB 4.42Å; A125-V134 HydrophobicContact CB-CG1 4.38Å; A125-V134 HydrophobicContact CB-CG2 3.98Å; V134-L148 HydrophobicContact CB-CB 4.47Å; V134-L148 HydrophobicContact CG1-CD1 4Å; V134-L148 PolarHBondContact O-N 2.86Å
135C98.6Very high93.4Very high0 Ų049.4 Ų49.40%027%0.271CS..EExtended strand (participates in β ladder)trans-122.3153.3179.4-59.90000111L107 I123 T124 T133 I146L107-C135 HydrophobicContact CD1-CB 3.43Å; L107-C135 VanDerWaalsContact CD1-CB 3.43Å; I123-C135 WeakPolarHBondContact CA-O 3.45Å; T124-C135 PolarHBondContact N-O 3.43Å; T124-C135 PolarHBondContact O-N 3.5Å; T133-C135 VanDerWaalsContact CG2-SG 3.55Å; C135-I146 CarbonylContact C-O 3.54Å; C135-I146 WeakPolarHBondContact CA-O 3.41Å; C135-I146 WeakPolarHBondContact CB-O 3.25Å
136Y98.8Very high93.4Very high20 Ų2053.1 Ų53.18%0.07829%0.29CS..EExtended strand (participates in β ladder)trans-133140.9178.6165.1-98.2000110.4N121 L122 I123 P145 I146 L155 L159 L160N121-Y136 HydrophobicContact CB-CE2 3.88Å; N121-Y136 PolarHBondContact OD1-OH 3.06Å; L122-Y136 WeakPolarHBondContact O-CA 3.36Å; I123-Y136 HydrophobicContact CG1-CD2 4.21Å; Y136-P145 WeakPolarHBondContact O-CA 3.46Å; Y136-I146 HydrophobicContact CD1-CD1 3.94Å; Y136-I146 HydrophobicContact CD1-CG1 3.93Å; Y136-I146 PolarHBondContact N-O 2.84Å; Y136-I146 PolarHBondContact O-N 3.08Å; Y136-L155 HydrophobicContact CE2-CD1 4.12Å; Y136-L155 HydrophobicContact CE2-CD2 4.36Å; Y136-L159 WeakPolarHBondContact OH-CA 3.28Å; Y136-L160 HydrophobicContact CD1-CB 4.11Å; Y136-L160 HydrophobicContact CD1-CD2 4.02Å; Y136-L160 HydrophobicContact CD2-CB 4.2Å; Y136-L160 HydrophobicContact CD2-CD1 4.29Å; Y136-L160 HydrophobicContact CD2-CD2 4.37Å; Y136-L160 HydrophobicContact CE1-CB 3.73Å; Y136-L160 HydrophobicContact CE1-CD2 4.47Å; Y136-L160 HydrophobicContact CE2-CB 3.81Å; Y136-L160 HydrophobicContact CE2-CD1 4.45Å; Y136-L160 HydrophobicContact CG-CB 4.34Å; Y136-L160 HydrophobicContact CG-CD2 3.97Å; Y136-L160 PolarHBondContact OH-N 2.78Å; Y136-L160 VanDerWaalsContact OH-N 3.1Å
137Y98.8Very high93.5Very high12 Ų1259 Ų595%0.04731%0.312CS..EExtended strand (participates in β ladder)trans-141.1138.2168.6175.9-114000110.3V110 S111 F120 N121 L122 N139 P145V110-Y137 HydrophobicContact CG1-CD1 4.25Å; V110-Y137 HydrophobicContact CG1-CE1 4.32Å; S111-Y137 VanDerWaalsContact CB-CE2 3.42Å; S111-Y137 VanDerWaalsContact CB-CZ 3.42Å; F120-Y137 AromaticContact CE2-CD1 3.98Å; F120-Y137 HydrophobicContact CE2-CD1 3.98Å; F120-Y137 HydrophobicContact CE2-CE1 4.18Å; F120-Y137 HydrophobicContact CZ-CD1 4.07Å; F120-Y137 AromaticContact CZ-CE1 3.82Å; F120-Y137 HydrophobicContact CZ-CE1 3.82Å; N121-Y137 CarbonylContact C-O 3.45Å; N121-Y137 WeakPolarHBondContact CA-O 3.35Å; L122-Y137 PolarHBondContact N-O 2.94Å; L122-Y137 PolarHBondContact O-N 2.86Å; Y137-N139 HydrophobicContact CE1-CB 3.87Å; Y137-P145 HydrophobicContact CD2-CB 4.49Å
138G98.5Very high93.7Very high4 Ų459.7 Ų59.74%0.04132%0.315CS..EExtended strand (participates in β ladder)trans-130.7123.6169.100000110.1F120 R140 G141F120-G138 VanDerWaalsContact O-CA 3.28Å; F120-G138 WeakPolarHBondContact O-CA 3.37Å; G138-R140 PolarHBondContact O-N 2.94Å; G138-G141 PolarHBondContact O-N 3.05Å
139N97.9Very high94.1Very high18 Ų1860.7 Ų60.710%0.09633%0.325CS..THydrogen-bonded Turntrans-75.89.4-173.876.4-23.7000114.5G114 Y117 N118 G119 F120 Y137G114-N139 PolarHBondContact O-ND2 3.36Å; Y117-N139 PolarHBondContact O-ND2 2.85Å; N118-N139 PolarHBondContact O-ND2 3.1Å; G119-N139 VanDerWaalsContact CA-OD1 3.24Å; G119-N139 WeakPolarHBondContact CA-OD1 3.23Å; F120-N139 HydrophobicContact CD1-CB 4.06Å; F120-N139 VanDerWaalsContact CD1-ND2 3.26Å; F120-N139 WeakPolarHBondContact CD1-ND2 3.49Å; F120-N139 HydrophobicContact CE1-CB 3.65Å; F120-N139 VanDerWaalsContact CE1-CG 3.43Å; F120-N139 VanDerWaalsContact CE1-ND2 3.3Å; F120-N139 WeakPolarHBondContact CE1-ND2 3.46Å; F120-N139 HydrophobicContact CZ-CB 4.04Å; F120-N139 PolarHBondContact N-OD1 3.34Å; F120-N139 PolarHBondContact O-N 3.06Å; F120-N139 VanDerWaalsContact O-N 3.16Å; F120-N139 PolarHBondContact O-OD1 2.96Å; Y137-N139 HydrophobicContact CE1-CB 3.87Å
140R96.8Very high95.1Very high95 Ų9560 Ų6036%0.35831%0.313SS..THydrogen-bonded Turntrans-115.53.4168.4-61-61179-100.10112.6Y76 E78 G119 G138 L159Y76-R140 HydrophobicContact CD1-CB 4.43Å; Y76-R140 HydrophobicContact CD1-CG 3.92Å; Y76-R140 HydrophobicContact CD2-CB 3.95Å; Y76-R140 HydrophobicContact CD2-CG 4.12Å; Y76-R140 HydrophobicContact CE1-CB 4.31Å; Y76-R140 HydrophobicContact CE1-CG 4.14Å; Y76-R140 HydrophobicContact CE2-CB 3.82Å; Y76-R140 HydrophobicContact CE2-CG 4.33Å; Y76-R140 HydrophobicContact CG-CB 4.27Å; Y76-R140 HydrophobicContact CG-CG 3.92Å; E78-R140 IonicContact OE1-CZ 2.6Å; E78-R140 IonicContact OE1-NE 2.65Å; E78-R140 PolarHBondContact OE1-NE 2.88Å; E78-R140 IonicContact OE1-NH2 2.82Å; E78-R140 PolarHBondContact OE1-NH2 3.36Å; E78-R140 IonicContact OE2-NH2 3.38Å; G119-R140 VanDerWaalsContact N-NH2 3.16Å; G138-R140 PolarHBondContact O-N 2.94Å; R140-L159 HydrophobicContact CB-CD2 4.39Å
141G95.6Very high96.3Very high38 Ų3851.3 Ų51.339%0.39228%0.283SS..SBendtrans-106.9-139.617700000111.3G138G138-G141 PolarHBondContact O-N 3.05Å
142S94.3Very high97Very high91 Ų9147.4 Ų47.464%0.63627%0.266SS*.  trans-63.3151176.7-59.70000111.8E144S142-E144 PolarHBondContact O-N 2.74Å
143S93.4Very high97.2Very high89 Ų8948.3 Ų48.362%0.62227%0.268SS*.SBendtrans-65.7-21.8176.557.80000113.4S111S111-S143 WeakPolarHBondContact CB-O 3.29Å; S111-S143 PolarHBondContact OG-O 2.86Å
144E96.7Very high97.4Very high78 Ų7847.5 Ų47.536%0.36426%0.263SS..SBendtrans-106.6139.9-175.5-65.7-59.1134.200112.2K108 S142K108-E144 WeakPolarHBondContact CD-OE2 3.3Å; K108-E144 IonicContact NZ-OE1 3.89Å; K108-E144 PolarHBondContact NZ-OE1 2.96Å; K108-E144 IonicContact NZ-OE2 3.32Å; K108-E144 PolarHBondContact NZ-OE2 3.07Å; S142-E144 PolarHBondContact O-N 2.74Å
145P98.3Very high97.4Very high4 Ų447.2 Ų47.23%0.02626%0.261CS..  trans-67.8156167.830.8-34.5000111Y104 L107 K108 Y136 Y137Y104-P145 HydrophobicContact CD2-CG 4.28Å; Y104-P145 HydrophobicContact CE1-CG 4.45Å; Y104-P145 HydrophobicContact CE2-CB 4.26Å; Y104-P145 HydrophobicContact CE2-CG 3.8Å; Y104-P145 VanDerWaalsContact CE2-O 3.31Å; Y104-P145 WeakPolarHBondContact CE2-O 3.48Å; Y104-P145 PolarHBondContact OH-O 2.6Å; L107-P145 HydrophobicContact CB-CB 3.62Å; L107-P145 HydrophobicContact CB-CG 4.05Å; L107-P145 HydrophobicContact CD1-CB 4.08Å; K108-P145 HydrophobicContact CB-CG 4.29Å; Y136-P145 WeakPolarHBondContact O-CA 3.46Å; Y137-P145 HydrophobicContact CD2-CB 4.49Å
146I98.3Very high97.3Very high80 Ų8047.4 Ų47.441%0.4126%0.263SS..EExtended strand (participates in β ladder)trans-120.3150.3177.563.5173.2000111.1C135 Y136 L148C135-I146 CarbonylContact C-O 3.54Å; C135-I146 WeakPolarHBondContact CA-O 3.41Å; C135-I146 WeakPolarHBondContact CB-O 3.25Å; Y136-I146 HydrophobicContact CD1-CD1 3.94Å; Y136-I146 HydrophobicContact CD1-CG1 3.93Å; Y136-I146 PolarHBondContact N-O 2.84Å; Y136-I146 PolarHBondContact O-N 3.08Å; I146-L148 HydrophobicContact CD1-CD2 3.8Å; I146-L148 HydrophobicContact CG1-CD2 4.06Å
147R98.2Very high97.3Very high136 Ų13646.4 Ų46.451%0.51326%0.259SS..EExtended strand (participates in β ladder)trans-87.3129.7164.7-63.4179.7-178.5-134.4-1.8108Y104Y104-R147 HydrophobicContact CD2-CG 3.91Å; Y104-R147 HydrophobicContact CE2-CG 4.45Å
148L98.1Very high97.2Very high16 Ų1646.2 Ų46.28%0.08426%0.259CS..PPolyproline II helixtrans-80.3146.4176.2-59-173.3000109.8F8 V134 I146 Y153 L160F8-L148 HydrophobicContact CE1-CB 3.78Å; F8-L148 HydrophobicContact CZ-CB 3.76Å; F8-L148 WeakPolarHBondContact CZ-O 3.37Å; V134-L148 HydrophobicContact CB-CB 4.47Å; V134-L148 HydrophobicContact CG1-CD1 4Å; V134-L148 PolarHBondContact O-N 2.86Å; I146-L148 HydrophobicContact CD1-CD2 3.8Å; I146-L148 HydrophobicContact CG1-CD2 4.06Å; L148-Y153 HydrophobicContact CB-CE2 4.19Å; L148-Y153 HydrophobicContact CD1-CD1 4.48Å; L148-Y153 HydrophobicContact CD1-CD2 4.24Å; L148-Y153 HydrophobicContact CD1-CE1 4.47Å; L148-Y153 HydrophobicContact CD1-CE2 4.25Å; L148-Y153 HydrophobicContact CD1-CG 4.35Å; L148-Y153 HydrophobicContact CD2-CE1 4.19Å; L148-L160 HydrophobicContact CD1-CD2 4.25Å; L148-L160 HydrophobicContact CD2-CD2 3.61Å
149N97.1Very high97.2Very high121 Ų12148.4 Ų48.465%0.64727%0.27SS*.PPolyproline II helixtrans-84.4154.6168.7-69.5-43.8000109.4F8 G151 Y153F8-N149 WeakPolarHBondContact CE1-O 3.2Å; F8-N149 WeakPolarHBondContact CZ-O 3.41Å; N149-G151 PolarHBondContact O-N 3.14Å; N149-Y153 PolarHBondContact N-OH 2.82Å; N149-Y153 VanDerWaalsContact O-CE2 3.3Å; N149-Y153 WeakPolarHBondContact O-CE2 3.4Å; N149-Y153 PolarHBondContact O-OH 2.92Å
150P96.1Very high97.2Very high78 Ų7849 Ų4951%0.50627%0.273SS..SBendtrans-51.9134.9173.7-26.435.9000111.5F8 P10F8-P150 HydrophobicContact CE2-CB 4.45Å; F8-P150 HydrophobicContact CE2-CG 4.31Å; P10-P150 HydrophobicContact CG-CG 4.06Å
151G96.1Very high97.2Very high27 Ų2747.4 Ų47.428%0.27827%0.271SS..EExtended strand (participates in β ladder)trans161-168.5-173.700000114.2K7 F8 N149K7-G151 WeakPolarHBondContact CA-O 3.29Å; F8-G151 PolarHBondContact N-O 3.04Å; F8-G151 VanDerWaalsContact N-O 3.08Å; F8-G151 PolarHBondContact O-N 2.78Å; N149-G151 PolarHBondContact O-N 3.14Å
152I98.2Very high97.4Very high46 Ų4647 Ų4724%0.23626%0.261CS..EExtended strand (participates in β ladder)trans-112.7126.8179.2-57.2179.8000109.4L6 K7 K171 F174 T175 V178L6-I152 CarbonylContact O-C 3.5Å; L6-I152 VanDerWaalsContact O-CA 3.31Å; L6-I152 WeakPolarHBondContact O-CA 3.18Å; K7-I152 HydrophobicContact CB-CG1 3.99Å; K7-I152 HydrophobicContact CD-CD1 4.38Å; K7-I152 HydrophobicContact CD-CG1 4.26Å; K7-I152 HydrophobicContact CG-CG1 3.95Å; I152-K171 HydrophobicContact CG2-CG 4.19Å; I152-K171 WeakPolarHBondContact O-CE 3.49Å; I152-K171 PolarHBondContact O-NZ 3.26Å; I152-F174 HydrophobicContact CG2-CD1 3.87Å; I152-F174 HydrophobicContact CG2-CE1 3.87Å; I152-T175 HydrophobicContact CD1-CG2 3.8Å; I152-V178 HydrophobicContact CD1-CG2 4.05Å
153Y98.7Very high97.5Very high38 Ų3845.9 Ų45.915%0.14925%0.252CS..EExtended strand (participates in β ladder)trans-126.1149.3-179.1-60.9-92.3000111.4L6 F8 L148 N149 L160 D161L6-Y153 HydrophobicContact CD1-CD2 3.89Å; L6-Y153 HydrophobicContact CG-CD2 4.44Å; L6-Y153 PolarHBondContact N-O 2.89Å; L6-Y153 PolarHBondContact O-N 3.49Å; F8-Y153 HydrophobicContact CD1-CE2 4.37Å; F8-Y153 HydrophobicContact CE1-CD2 4.16Å; F8-Y153 AromaticContact CE1-CE2 3.67Å; F8-Y153 HydrophobicContact CE1-CE2 3.67Å; L148-Y153 HydrophobicContact CB-CE2 4.19Å; L148-Y153 HydrophobicContact CD1-CD1 4.48Å; L148-Y153 HydrophobicContact CD1-CD2 4.24Å; L148-Y153 HydrophobicContact CD1-CE1 4.47Å; L148-Y153 HydrophobicContact CD1-CE2 4.25Å; L148-Y153 HydrophobicContact CD1-CG 4.35Å; L148-Y153 HydrophobicContact CD2-CE1 4.19Å; N149-Y153 PolarHBondContact N-OH 2.82Å; N149-Y153 VanDerWaalsContact O-CE2 3.3Å; N149-Y153 WeakPolarHBondContact O-CE2 3.4Å; N149-Y153 PolarHBondContact O-OH 2.92Å; Y153-L160 HydrophobicContact CD1-CD1 4.36Å; Y153-L160 HydrophobicContact CD1-CD2 3.86Å; Y153-L160 HydrophobicContact CD1-CG 4.18Å; Y153-L160 HydrophobicContact CE1-CD2 4.21Å; Y153-D161 WeakPolarHBondContact CD1-OD2 3.29Å
154G98.6Very high97.7Very high0 Ų041.7 Ų41.70%022%0.222CC..EExtended strand (participates in β ladder)trans-118.1136.8168.600000110I4 D161I4-G154 WeakPolarHBondContact O-CA 3.45Å; G154-D161 PolarHBondContact N-OD1 2.79Å; G154-D161 PolarHBondContact O-N 2.84Å
155L98.6Very high97.8Very high0 Ų042.3 Ų42.30%022%0.224CC..EExtended strand (participates in β ladder)trans-135.1121.3175.9-179.860.2000109.2I3 I4 T74 N121 I123 Y136 L160I3-L155 CarbonylContact C-O 3.6Å; I3-L155 VanDerWaalsContact CA-O 3.29Å; I3-L155 WeakPolarHBondContact CA-O 3.46Å; I4-L155 HydrophobicContact CB-CB 4.35Å; I4-L155 HydrophobicContact CD1-CD2 4.45Å; I4-L155 PolarHBondContact N-O 2.87Å; I4-L155 PolarHBondContact O-N 2.85Å; T74-L155 HydrophobicContact CG2-CD2 4Å; T74-L155 HydrophobicContact CG2-CG 3.93Å; N121-L155 HydrophobicContact CB-CD1 3.83Å; N121-L155 HydrophobicContact CB-CD2 3.75Å; N121-L155 HydrophobicContact CB-CG 4.23Å; I123-L155 HydrophobicContact CD1-CD2 3.58Å; I123-L155 HydrophobicContact CG1-CD2 4.03Å; Y136-L155 HydrophobicContact CE2-CD1 4.12Å; Y136-L155 HydrophobicContact CE2-CD2 4.36Å; L155-L160 HydrophobicContact CB-CD1 4.12Å; L155-L160 HydrophobicContact CD1-CD1 4.3Å
156S97.4Very high97.8Very high4 Ų442.1 Ų42.13%0.02822%0.223CC..SBendtrans-121.7-134.3171.8-169.10000109.9C2 T74 S158 K166C2-S156 CarbonylContact O-C 3.47Å; C2-S156 WeakPolarHBondContact O-CA 3.37Å; C2-S156 PolarHBondContact O-OG 3.19Å; T74-S156 WeakPolarHBondContact CB-O 3.36Å; T74-S156 PolarHBondContact OG1-O 2.87Å; S156-S158 VanDerWaalsContact C-N 3.32Å; S156-S158 PolarHBondContact O-N 3.48Å; S156-K166 WeakPolarHBondContact OG-CE 3.24Å; S156-K166 PolarHBondContact OG-NZ 3.45Å
157N97.3Very high97.8Very high0 Ų038.5 Ų38.50%020%0.204CC..SBendtrans-98.432.3-174.9-51.4101.4000113.4M1 C2 N75 M77 W164M1-N157 WeakPolarHBondContact CA-ND2 3.41Å; M1-N157 VanDerWaalsContact CB-OD1 3.29Å; M1-N157 WeakPolarHBondContact CB-OD1 3.36Å; M1-N157 HydrophobicContact CG-CB 4.39Å; M1-N157 HydrophobicContact SD-CB 4.03Å; C2-N157 PolarHBondContact N-ND2 2.94Å; C2-N157 PolarHBondContact N-OD1 3.22Å; C2-N157 PolarHBondContact O-OD1 3.2Å; N75-N157 WeakPolarHBondContact O-CA 3.49Å; N75-N157 WeakPolarHBondContact O-CB 3.31Å; N75-N157 PolarHBondContact O-ND2 3.11Å; M77-N157 HydrophobicContact CB-CB 4.02Å; M77-N157 VanDerWaalsContact CB-O 3.29Å; M77-N157 WeakPolarHBondContact CB-O 3.48Å; M77-N157 PolarHBondContact N-O 3Å; N157-W164 HydrophobicContact CB-CH2 3.9Å; N157-W164 HydrophobicContact CB-CZ3 3.89Å; N157-W164 WeakPolarHBondContact O-CH2 3.07Å
158S97.4Very high97.8Very high7 Ų736.5 Ų36.55%0.04920%0.203CC..SBendtrans-139.2-167.1166.7-171.10000108.1N121 S156 T162N121-S158 PolarHBondContact ND2-O 3.38Å; N121-S158 PolarHBondContact OD1-O 3.3Å; S156-S158 VanDerWaalsContact C-N 3.32Å; S156-S158 PolarHBondContact O-N 3.48Å; S158-T162 PolarHBondContact OG-OG1 3.22Å
159L98.1Very high97.8Very high51 Ų5138.9 Ų38.927%0.26721%0.213SC..SBendtrans-65.2160.6176.6-58.3179.9000111.8Y76 Y136 R140 D161 T162Y76-L159 HydrophobicContact CD2-CD2 4.29Å; Y76-L159 HydrophobicContact CE2-CD2 4.02Å; Y76-L159 HydrophobicContact CE2-CG 4.03Å; Y136-L159 WeakPolarHBondContact OH-CA 3.28Å; R140-L159 HydrophobicContact CB-CD2 4.39Å; L159-D161 PolarHBondContact O-N 3.39Å; L159-T162 PolarHBondContact N-OG1 2.8Å; L159-T162 VanDerWaalsContact O-CB 3.3Å; L159-T162 WeakPolarHBondContact O-CB 3.47Å; L159-T162 PolarHBondContact O-N 2.77Å; L159-T162 PolarHBondContact O-OG1 2.93Å
160L98.3Very high97.9Very high31 Ų3133.2 Ų33.216%0.16218%0.183CC..THydrogen-bonded Turntrans-48.3131.9179.9-169.968.4000112Y136 L148 Y153 L155 T162Y136-L160 HydrophobicContact CD1-CB 4.11Å; Y136-L160 HydrophobicContact CD1-CD2 4.02Å; Y136-L160 HydrophobicContact CD2-CB 4.2Å; Y136-L160 HydrophobicContact CD2-CD1 4.29Å; Y136-L160 HydrophobicContact CD2-CD2 4.37Å; Y136-L160 HydrophobicContact CE1-CB 3.73Å; Y136-L160 HydrophobicContact CE1-CD2 4.47Å; Y136-L160 HydrophobicContact CE2-CB 3.81Å; Y136-L160 HydrophobicContact CE2-CD1 4.45Å; Y136-L160 HydrophobicContact CG-CB 4.34Å; Y136-L160 HydrophobicContact CG-CD2 3.97Å; Y136-L160 PolarHBondContact OH-N 2.78Å; Y136-L160 VanDerWaalsContact OH-N 3.1Å; L148-L160 HydrophobicContact CD1-CD2 4.25Å; L148-L160 HydrophobicContact CD2-CD2 3.61Å; Y153-L160 HydrophobicContact CD1-CD1 4.36Å; Y153-L160 HydrophobicContact CD1-CD2 3.86Å; Y153-L160 HydrophobicContact CD1-CG 4.18Å; Y153-L160 HydrophobicContact CE1-CD2 4.21Å; L155-L160 HydrophobicContact CB-CD1 4.12Å; L155-L160 HydrophobicContact CD1-CD1 4.3Å; L160-T162 PolarHBondContact O-N 2.71Å
161D97.8Very high98Very high60 Ų6031.6 Ų31.632%0.32117%0.168SC..THydrogen-bonded Turntrans55.519.3-179.6-76-29.8000115.7Y153 G154 L159 K171Y153-D161 WeakPolarHBondContact CD1-OD2 3.29Å; G154-D161 PolarHBondContact N-OD1 2.79Å; G154-D161 PolarHBondContact O-N 2.84Å; L159-D161 PolarHBondContact O-N 3.39Å; D161-K171 VanDerWaalsContact CG-NZ 3.28Å; D161-K171 IonicContact OD1-NZ 3.75Å; D161-K171 PolarHBondContact OD1-NZ 2.63Å; D161-K171 IonicContact OD2-NZ 3.87Å; D161-K171 PolarHBondContact OD2-NZ 2.91Å
162T97.9Very high98.1Very high29 Ų2936.8 Ų36.818%0.17819%0.185CC..  trans-56126.5169.6-60.80000109.3S158 L159 L160 W164 L167S158-T162 PolarHBondContact OG-OG1 3.22Å; L159-T162 PolarHBondContact N-OG1 2.8Å; L159-T162 VanDerWaalsContact O-CB 3.3Å; L159-T162 WeakPolarHBondContact O-CB 3.47Å; L159-T162 PolarHBondContact O-N 2.77Å; L159-T162 PolarHBondContact O-OG1 2.93Å; L160-T162 PolarHBondContact O-N 2.71Å; T162-W164 PolarHBondContact O-N 3.24Å; T162-L167 WeakPolarHBondContact O-CD2 3.29Å
163P97.7Very high98.1Very high69 Ų6938.2 Ų38.245%0.44819%0.191SC..  trans-81.350.1-164.634.4-38.7000113.4L168 L207P163-L168 HydrophobicContact CB-CD1 4.07Å; P163-L168 HydrophobicContact CB-CD2 4.18Å; P163-L168 HydrophobicContact CB-CG 4.32Å; P163-L207 HydrophobicContact CG-CD1 3.91Å
164W97.8Very high98.1Very high1 Ų136.4 Ų36.40%0.00418%0.183CC..  trans-61.7138.3167.2-69.3-0.1000109.4M77 N157 T162 K166 L167 L168 D205 Q208 L211M77-W164 HydrophobicContact CB-CH2 3.98Å; M77-W164 HydrophobicContact CE-CH2 3.71Å; M77-W164 HydrophobicContact CE-CZ3 4.1Å; M77-W164 HydrophobicContact SD-CH2 3.78Å; M77-W164 HydrophobicContact SD-CZ2 4.25Å; N157-W164 HydrophobicContact CB-CH2 3.9Å; N157-W164 HydrophobicContact CB-CZ3 3.89Å; N157-W164 WeakPolarHBondContact O-CH2 3.07Å; T162-W164 PolarHBondContact O-N 3.24Å; W164-K166 HydrophobicContact CB-CG 4.5Å; W164-K166 PolarHBondContact O-N 3.08Å; W164-L167 HydrophobicContact CB-CB 4.33Å; W164-L167 WeakPolarHBondContact O-CA 3.28Å; W164-L167 WeakPolarHBondContact O-CB 3.47Å; W164-L167 PolarHBondContact O-N 3.3Å; W164-L168 PolarHBondContact O-N 2.95Å; W164-D205 VanDerWaalsContact CA-OD2 3.26Å; W164-D205 WeakPolarHBondContact CA-OD2 3.32Å; W164-Q208 HydrophobicContact CD2-CB 4.01Å; W164-Q208 HydrophobicContact CD2-CG 4.29Å; W164-Q208 HydrophobicContact CE3-CB 4.39Å; W164-Q208 HydrophobicContact CE3-CG 4.18Å; W164-Q208 HydrophobicContact CG-CB 4.32Å; W164-Q208 HydrophobicContact CH2-CG 4.13Å; W164-Q208 HydrophobicContact CZ2-CB 4.26Å; W164-Q208 HydrophobicContact CZ2-CG 4.22Å; W164-Q208 HydrophobicContact CZ3-CG 4.1Å; W164-L211 HydrophobicContact CZ2-CB 4.31Å; W164-L211 HydrophobicContact CZ2-CD1 3.71Å
165K98.4Very high98.1Very high90 Ų9039.2 Ų39.239%0.39120%0.2SC..Hα-helixtrans-54.3-41.1-175.6-71.6-177.6175.1-176.30112L167 L168 K169 N202 P204 D205K165-L167 VanDerWaalsContact C-N 3.33Å; K165-L167 PolarHBondContact O-N 3.38Å; K165-L168 PolarHBondContact O-N 3.43Å; K165-K169 PolarHBondContact O-N 3.24Å; K165-N202 HydrophobicContact CB-CB 3.75Å; K165-N202 WeakPolarHBondContact CD-O 3.39Å; K165-P204 WeakPolarHBondContact CD-O 3.41Å; K165-P204 VanDerWaalsContact CE-O 3.23Å; K165-P204 WeakPolarHBondContact CE-O 3.41Å; K165-P204 PolarHBondContact NZ-O 3.48Å; K165-D205 HydrophobicContact CD-CB 4.26Å; K165-D205 HydrophobicContact CG-CB 4.4Å; K165-D205 PolarHBondContact N-OD2 2.92Å
166K97.8Very high98.1Very high1 Ų147.1 Ų47.10%0.00424%0.235CC..Hα-helixtrans-61.9-39.3175.980.6173.4-179.9166.90113.2I3 S156 W164 G170 N202 M223 S224 A225I3-K166 HydrophobicContact CD1-CG 4.48Å; S156-K166 WeakPolarHBondContact OG-CE 3.24Å; S156-K166 PolarHBondContact OG-NZ 3.45Å; W164-K166 HydrophobicContact CB-CG 4.5Å; W164-K166 PolarHBondContact O-N 3.08Å; K166-G170 PolarHBondContact O-N 2.83Å; K166-N202 HydrophobicContact CB-CB 4.08Å; K166-M223 VanDerWaalsContact CD-O 3.26Å; K166-M223 WeakPolarHBondContact CD-O 3.42Å; K166-M223 WeakPolarHBondContact CE-O 3.36Å; K166-M223 PolarHBondContact NZ-O 2.98Å; K166-S224 WeakPolarHBondContact CB-O 3.34Å; K166-A225 WeakPolarHBondContact CD-O 3.24Å
167L98.5Very high98.1Very high4 Ų447.7 Ų47.72%0.02124%0.238CC..Hα-helixtrans-70.1-44.2-180-169.975.3000109.5I3 F5 T162 W164 K165 K171I3-L167 HydrophobicContact CD1-CD1 3.93Å; I3-L167 HydrophobicContact CG1-CD1 3.94Å; F5-L167 HydrophobicContact CE1-CD1 4.02Å; T162-L167 WeakPolarHBondContact O-CD2 3.29Å; W164-L167 HydrophobicContact CB-CB 4.33Å; W164-L167 WeakPolarHBondContact O-CA 3.28Å; W164-L167 WeakPolarHBondContact O-CB 3.47Å; W164-L167 PolarHBondContact O-N 3.3Å; K165-L167 VanDerWaalsContact C-N 3.33Å; K165-L167 PolarHBondContact O-N 3.38Å; L167-K171 WeakPolarHBondContact O-CB 3.36Å; L167-K171 PolarHBondContact O-N 3.22Å
168L98.4Very high98Very high94 Ų9448.9 Ų48.949%0.49225%0.245SC..Hα-helixtrans-61.4-50.5178.4-65.5178.4000111.9P163 W164 K165 K171 Q172P163-L168 HydrophobicContact CB-CD1 4.07Å; P163-L168 HydrophobicContact CB-CD2 4.18Å; P163-L168 HydrophobicContact CB-CG 4.32Å; W164-L168 PolarHBondContact O-N 2.95Å; K165-L168 PolarHBondContact O-N 3.43Å; L168-K171 PolarHBondContact O-N 3.01Å; L168-Q172 WeakPolarHBondContact O-CB 3.41Å; L168-Q172 PolarHBondContact O-N 3.02Å
169K98.1Very high97.8Very high66 Ų6651.1 Ų51.129%0.28727%0.27SS..Hα-helixtrans-63.6-47.1177.7-69.4-162.7-165.6159.90112.1K165 K171 Q172 H173 E200 N202K165-K169 PolarHBondContact O-N 3.24Å; K169-K171 PolarHBondContact O-N 3.21Å; K169-Q172 WeakPolarHBondContact O-CB 3.45Å; K169-Q172 PolarHBondContact O-N 3.05Å; K169-H173 PolarHBondContact O-CD2 3.46Å; K169-H173 PolarHBondContact O-N 2.72Å; K169-E200 IonicContact NZ-OE1 2.64Å; K169-E200 PolarHBondContact NZ-OE1 3.4Å; K169-E200 IonicContact NZ-OE2 4Å; K169-N202 WeakPolarHBondContact CD-OD1 3.47Å; K169-N202 WeakPolarHBondContact CE-OD1 3.16Å; K169-N202 PolarHBondContact NZ-OD1 2.98Å
170G98.5Very high97.5Very high2 Ų252.3 Ų52.32%0.02128%0.276CS..Hα-helixtrans-60.7-43177.600000112.6F5 K166 Q172 H173 F174F5-G170 VanDerWaalsContact CE1-C 3.42Å; K166-G170 PolarHBondContact O-N 2.83Å; G170-Q172 VanDerWaalsContact C-N 3.32Å; G170-Q172 PolarHBondContact O-N 2.92Å; G170-H173 PolarHBondContact O-N 2.92Å; G170-F174 VanDerWaalsContact O-CB 3.32Å; G170-F174 WeakPolarHBondContact O-CB 3.34Å; G170-F174 PolarHBondContact O-N 3.02Å
171K98.7Very high97Very high44 Ų4457.4 Ų57.419%0.19130%0.299CS..Hα-helixtrans-65.1-35.3176.3-170.7177.1-175.8177.60111.4F5 I152 D161 L167 L168 K169 T175F5-K171 HydrophobicContact CD1-CB 4.1Å; F5-K171 HydrophobicContact CE1-CB 4.09Å; I152-K171 HydrophobicContact CG2-CG 4.19Å; I152-K171 WeakPolarHBondContact O-CE 3.49Å; I152-K171 PolarHBondContact O-NZ 3.26Å; D161-K171 VanDerWaalsContact CG-NZ 3.28Å; D161-K171 IonicContact OD1-NZ 3.75Å; D161-K171 PolarHBondContact OD1-NZ 2.63Å; D161-K171 IonicContact OD2-NZ 3.87Å; D161-K171 PolarHBondContact OD2-NZ 2.91Å; L167-K171 WeakPolarHBondContact O-CB 3.36Å; L167-K171 PolarHBondContact O-N 3.22Å; L168-K171 PolarHBondContact O-N 3.01Å; K169-K171 PolarHBondContact O-N 3.21Å; K171-T175 VanDerWaalsContact O-CB 3.26Å; K171-T175 WeakPolarHBondContact O-CB 3.18Å; K171-T175 PolarHBondContact O-N 3.05Å; K171-T175 PolarHBondContact O-OG1 3.28Å
172Q98.6Very high96.7Very high135 Ų13559.3 Ų59.363%0.63132%0.317SS*.Hα-helixtrans-63.6-49173.6-176.6-175.511.200111.5L168 K169 G170 T175 K176L168-Q172 WeakPolarHBondContact O-CB 3.41Å; L168-Q172 PolarHBondContact O-N 3.02Å; K169-Q172 WeakPolarHBondContact O-CB 3.45Å; K169-Q172 PolarHBondContact O-N 3.05Å; G170-Q172 VanDerWaalsContact C-N 3.32Å; G170-Q172 PolarHBondContact O-N 2.92Å; Q172-T175 PolarHBondContact O-N 2.78Å; Q172-K176 PolarHBondContact O-N 2.8Å
173H98.5Very high96.4Very high77 Ų7759.8 Ų59.836%0.35632%0.318SS..Hα-helixtrans-63-46.4177.3-69.6-64.3000111.9K169 G170 T175 K176 V177 V195K169-H173 PolarHBondContact O-CD2 3.46Å; K169-H173 PolarHBondContact O-N 2.72Å; G170-H173 PolarHBondContact O-N 2.92Å; H173-T175 VanDerWaalsContact C-N 3.33Å; H173-T175 PolarHBondContact O-N 3.29Å; H173-K176 WeakPolarHBondContact O-CB 3.06Å; H173-K176 PolarHBondContact O-N 2.71Å; H173-V177 WeakPolarHBondContact O-CG2 3.25Å; H173-V177 PolarHBondContact O-N 3.4Å; H173-V195 HydrophobicContact CB-CG1 4.25Å; H173-V195 HydrophobicContact CB-CG2 3.94Å
174F98.7Very high96.2Very high0 Ų060 Ų600%032%0.321CS..Hα-helixtrans-54.1-49173.3177.2-95.2000111.7F5 K7 I21 A23 I152 G170 K176 V177 V178 L192 V195F5-F174 HydrophobicContact CB-CB 4.04Å; F5-F174 HydrophobicContact CB-CD1 3.91Å; F5-F174 HydrophobicContact CB-CD2 3.47Å; F5-F174 VanDerWaalsContact CB-CD2 3.47Å; F5-F174 HydrophobicContact CB-CE1 4.2Å; F5-F174 HydrophobicContact CB-CE2 3.79Å; F5-F174 HydrophobicContact CB-CG 3.53Å; F5-F174 HydrophobicContact CB-CZ 4.14Å; F5-F174 HydrophobicContact CD2-CB 4.5Å; F5-F174 HydrophobicContact CG-CB 4.1Å; F5-F174 HydrophobicContact CG-CD2 4.26Å; F5-F174 HydrophobicContact CG-CG 4.14Å; K7-F174 HydrophobicContact CB-CE1 3.96Å; K7-F174 HydrophobicContact CB-CZ 4.15Å; I21-F174 HydrophobicContact CB-CZ 4.38Å; I21-F174 HydrophobicContact CG2-CE2 3.99Å; I21-F174 HydrophobicContact CG2-CZ 3.97Å; A23-F174 HydrophobicContact CB-CD2 4.23Å; A23-F174 HydrophobicContact CB-CE2 4.01Å; I152-F174 HydrophobicContact CG2-CD1 3.87Å; I152-F174 HydrophobicContact CG2-CE1 3.87Å; G170-F174 VanDerWaalsContact O-CB 3.32Å; G170-F174 WeakPolarHBondContact O-CB 3.34Å; G170-F174 PolarHBondContact O-N 3.02Å; F174-K176 VanDerWaalsContact C-N 3.3Å; F174-K176 PolarHBondContact O-N 3.16Å; F174-V177 PolarHBondContact O-N 2.78Å; F174-V178 HydrophobicContact CD1-CG1 4.22Å; F174-V178 HydrophobicContact CD1-CG2 4.41Å; F174-V178 HydrophobicContact CD2-CG1 4.21Å; F174-V178 HydrophobicContact CE1-CG1 3.83Å; F174-V178 HydrophobicContact CE1-CG2 4.24Å; F174-V178 HydrophobicContact CE2-CG1 3.82Å; F174-V178 HydrophobicContact CG-CG1 4.4Å; F174-V178 HydrophobicContact CZ-CG1 3.62Å; F174-V178 WeakPolarHBondContact O-CG1 3.29Å; F174-V178 WeakPolarHBondContact O-CG2 3.09Å; F174-V178 PolarHBondContact O-N 2.72Å; F174-L192 HydrophobicContact CD2-CD2 3.42Å; F174-L192 VanDerWaalsContact CD2-CD2 3.42Å; F174-L192 HydrophobicContact CE2-CD2 3.54Å; F174-V195 HydrophobicContact CB-CG1 4.43Å
175T98.3Very high95.9Very high58 Ų5861.3 Ų61.336%0.35634%0.336SS..Hα-helixtrans-59.2-40179.5-60.20000112I152 K171 Q172 H173 G179I152-T175 HydrophobicContact CD1-CG2 3.8Å; K171-T175 VanDerWaalsContact O-CB 3.26Å; K171-T175 WeakPolarHBondContact O-CB 3.18Å; K171-T175 PolarHBondContact O-N 3.05Å; K171-T175 PolarHBondContact O-OG1 3.28Å; Q172-T175 PolarHBondContact O-N 2.78Å; H173-T175 VanDerWaalsContact C-N 3.33Å; H173-T175 PolarHBondContact O-N 3.29Å; T175-G179 PolarHBondContact O-N 2.87Å; T175-G179 VanDerWaalsContact O-N 3.17Å
176K97.7Very high95.7Very high167 Ų16762.6 Ų62.673%0.72635%0.347SS*.Hα-helixtrans-63.2-47.6175.9-176.2-177.3175.8-172.30111.3Q172 H173 F174 G179 D180Q172-K176 PolarHBondContact O-N 2.8Å; H173-K176 WeakPolarHBondContact O-CB 3.06Å; H173-K176 PolarHBondContact O-N 2.71Å; F174-K176 VanDerWaalsContact C-N 3.3Å; F174-K176 PolarHBondContact O-N 3.16Å; K176-G179 PolarHBondContact O-N 2.92Å; K176-D180 PolarHBondContact O-N 3.48Å
177V97.4Very high95.7Very high16 Ų1663.5 Ų63.510%0.09736%0.357CS..Hα-helixtrans-63.1-48.3-178.9169.10000111.4H173 F174 G179 D180 L183 L188 E191 L192 V195H173-V177 WeakPolarHBondContact O-CG2 3.25Å; H173-V177 PolarHBondContact O-N 3.4Å; F174-V177 PolarHBondContact O-N 2.78Å; V177-G179 PolarHBondContact O-N 2.68Å; V177-D180 PolarHBondContact O-N 3.1Å; V177-D180 VanDerWaalsContact O-N 3.17Å; V177-L183 HydrophobicContact CG1-CD1 4.18Å; V177-L188 HydrophobicContact CG1-CD1 3.64Å; V177-E191 HydrophobicContact CB-CB 4.4Å; V177-E191 HydrophobicContact CG1-CB 3.53Å; V177-E191 HydrophobicContact CG2-CB 3.93Å; V177-L192 HydrophobicContact CG1-CD2 3.9Å; V177-L192 HydrophobicContact CG1-CG 4.04Å; V177-V195 HydrophobicContact CG2-CG2 4.05Å
178V95.3Very high95.6Very high24 Ų2463.8 Ų63.815%0.14536%0.358CS..Hα-helixtrans-71.8-15.1-179.3-560000114K7 I21 I152 F174 L192K7-V178 HydrophobicContact CD-CB 4.17Å; K7-V178 HydrophobicContact CD-CG2 3.83Å; I21-V178 HydrophobicContact CB-CG1 4.35Å; I21-V178 HydrophobicContact CD1-CB 3.87Å; I21-V178 HydrophobicContact CD1-CG1 3.77Å; I21-V178 HydrophobicContact CG2-CG1 3.82Å; I152-V178 HydrophobicContact CD1-CG2 4.05Å; F174-V178 HydrophobicContact CD1-CG1 4.22Å; F174-V178 HydrophobicContact CD1-CG2 4.41Å; F174-V178 HydrophobicContact CD2-CG1 4.21Å; F174-V178 HydrophobicContact CE1-CG1 3.83Å; F174-V178 HydrophobicContact CE1-CG2 4.24Å; F174-V178 HydrophobicContact CE2-CG1 3.82Å; F174-V178 HydrophobicContact CG-CG1 4.4Å; F174-V178 HydrophobicContact CZ-CG1 3.62Å; F174-V178 WeakPolarHBondContact O-CG1 3.29Å; F174-V178 WeakPolarHBondContact O-CG2 3.09Å; F174-V178 PolarHBondContact O-N 2.72Å; V178-L192 HydrophobicContact CG1-CD2 4.23Å
179G93.1Very high95.6Very high55 Ų5559.6 Ų59.657%0.56734%0.336SS*.Hα-helixtrans-86-12.917400000113.7T175 K176 V177 Q181T175-G179 PolarHBondContact O-N 2.87Å; T175-G179 VanDerWaalsContact O-N 3.17Å; K176-G179 PolarHBondContact O-N 2.92Å; V177-G179 PolarHBondContact O-N 2.68Å; G179-Q181 PolarHBondContact O-N 3.45Å
180D92.4Very high95.7Very high75 Ų7562 Ų6240%0.40135%0.349SS..  trans-82.2100.5-179-168.6-16.9000111.1K176 V177 S182 L183K176-D180 PolarHBondContact O-N 3.48Å; V177-D180 PolarHBondContact O-N 3.1Å; V177-D180 VanDerWaalsContact O-N 3.17Å; D180-S182 PolarHBondContact O-N 2.76Å; D180-S182 VanDerWaalsContact OD1-CB 3.27Å; D180-S182 WeakPolarHBondContact OD1-CB 3.27Å; D180-S182 PolarHBondContact OD1-N 2.72Å; D180-S182 PolarHBondContact OD1-OG 3.1Å; D180-S182 PolarHBondContact OD2-OG 2.78Å; D180-L183 HydrophobicContact CB-CD1 3.95Å; D180-L183 HydrophobicContact CB-CG 4.09Å
181Q87.6Confident95.7Very high139 Ų13966 Ų6665%0.6537%0.366SS*.THydrogen-bonded Turntrans-74-7.5-179.7-62.2-171.4-10.500113.8N16 G179N16-Q181 PolarHBondContact ND2-O 2.73Å; G179-Q181 PolarHBondContact O-N 3.45Å
182S90.8Very high95.7Very high99 Ų9963.9 Ų63.969%0.69236%0.357SS*.THydrogen-bonded Turntrans-81.2-16.9178.775.50000113.3D180D180-S182 PolarHBondContact O-N 2.76Å; D180-S182 VanDerWaalsContact OD1-CB 3.27Å; D180-S182 WeakPolarHBondContact OD1-CB 3.27Å; D180-S182 PolarHBondContact OD1-N 2.72Å; D180-S182 PolarHBondContact OD1-OG 3.1Å; D180-S182 PolarHBondContact OD2-OG 2.78Å
183L92.1Very high95.7Very high39 Ų3958 Ų5820%0.20433%0.33CS..  trans-71.9135.7-179.7-63.9175000111.7V177 D180 L188 E191V177-L183 HydrophobicContact CG1-CD1 4.18Å; D180-L183 HydrophobicContact CB-CD1 3.95Å; D180-L183 HydrophobicContact CB-CG 4.09Å; L183-L188 HydrophobicContact CB-CB 4.39Å; L183-L188 HydrophobicContact CD1-CD1 4.4Å; L183-E191 HydrophobicContact CD1-CB 4.42Å; L183-E191 HydrophobicContact CD1-CG 4.15Å; L183-E191 HydrophobicContact CD2-CG 4.26Å
184S93.1Very high95.7Very high73 Ų7360.8 Ų60.851%0.5134%0.343SS..  trans-70.1168.8163.166.70000110.5D186 G187 L188S184-D186 VanDerWaalsContact C-N 3.31Å; S184-D186 PolarHBondContact O-N 3.03Å; S184-G187 PolarHBondContact O-N 2.97Å; S184-G187 PolarHBondContact OG-N 2.61Å; S184-L188 WeakPolarHBondContact O-CB 3.25Å; S184-L188 PolarHBondContact O-N 3.2Å
185G92.1Very high95.7Very high30 Ų3061.1 Ų61.131%0.30935%0.345SS..Hα-helixtrans-55.2-45.8173.900000112.7Y18 L188 V189Y18-G185 WeakPolarHBondContact OH-CA 3.45Å; G185-L188 WeakPolarHBondContact O-CB 3.3Å; G185-L188 PolarHBondContact O-N 2.93Å; G185-V189 WeakPolarHBondContact O-CG2 3.48Å; G185-V189 PolarHBondContact O-N 2.88Å
186D95Very high95.7Very high117 Ų11758.4 Ų58.463%0.62633%0.328SS*.Hα-helixtrans-67.3-40.3176.7-66.1-23.7000112.2S184 L188 V189 Q190S184-D186 VanDerWaalsContact C-N 3.31Å; S184-D186 PolarHBondContact O-N 3.03Å; D186-L188 VanDerWaalsContact C-N 3.32Å; D186-L188 PolarHBondContact O-N 3.27Å; D186-V189 PolarHBondContact O-N 2.84Å; D186-Q190 WeakPolarHBondContact O-CG 3.29Å; D186-Q190 PolarHBondContact O-N 3Å
187G96.9Very high95.7Very high20 Ų2052.4 Ų52.421%0.20631%0.305CS..Hα-helixtrans-60.6-42.1175.400000112S184 Q190 E191S184-G187 PolarHBondContact O-N 2.97Å; S184-G187 PolarHBondContact OG-N 2.61Å; G187-Q190 PolarHBondContact O-N 2.83Å; G187-E191 WeakPolarHBondContact O-CG 3.34Å; G187-E191 PolarHBondContact O-N 3.26Å
188L97.3Very high95.7Very high9 Ų953.7 Ų53.75%0.04731%0.311CS..Hα-helixtrans-60.5-45.5173.9176.761.6000111.4Y18 I21 V177 L183 S184 G185 D186 Q190 E191 L192 L242Y18-L188 HydrophobicContact CD2-CD2 4.01Å; Y18-L188 HydrophobicContact CE2-CD2 3.39Å; I21-L188 HydrophobicContact CD1-CD2 4.08Å; V177-L188 HydrophobicContact CG1-CD1 3.64Å; L183-L188 HydrophobicContact CB-CB 4.39Å; L183-L188 HydrophobicContact CD1-CD1 4.4Å; S184-L188 WeakPolarHBondContact O-CB 3.25Å; S184-L188 PolarHBondContact O-N 3.2Å; G185-L188 WeakPolarHBondContact O-CB 3.3Å; G185-L188 PolarHBondContact O-N 2.93Å; D186-L188 VanDerWaalsContact C-N 3.32Å; D186-L188 PolarHBondContact O-N 3.27Å; L188-Q190 VanDerWaalsContact C-N 3.35Å; L188-Q190 PolarHBondContact O-N 3.11Å; L188-E191 PolarHBondContact O-N 3.14Å; L188-L192 HydrophobicContact CD1-CD1 3.92Å; L188-L192 HydrophobicContact CD1-CG 4.02Å; L188-L192 HydrophobicContact CG-CD1 3.91Å; L188-L192 HydrophobicContact CG-CG 4.42Å; L188-L192 WeakPolarHBondContact O-CB 3.43Å; L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 2.76Å; L188-L242 HydrophobicContact CD2-CD1 4.12Å; L188-L242 HydrophobicContact CD2-CD2 4.03Å
189V98.3Very high95.8Very high6 Ų657.6 Ų57.64%0.03633%0.327CS..Hα-helixtrans-59.2-45.2176.3171.20000111.3G185 D186 L192 L193 I240 L242 T252G185-V189 WeakPolarHBondContact O-CG2 3.48Å; G185-V189 PolarHBondContact O-N 2.88Å; D186-V189 PolarHBondContact O-N 2.84Å; V189-L192 PolarHBondContact O-N 2.83Å; V189-L193 HydrophobicContact CG1-CD1 4.16Å; V189-L193 HydrophobicContact CG1-CG 4.49Å; V189-L193 WeakPolarHBondContact O-CG 3.43Å; V189-L193 PolarHBondContact O-N 2.94Å; V189-I240 HydrophobicContact CG1-CG1 4.41Å; V189-I240 HydrophobicContact CG2-CG2 4.21Å; V189-L242 HydrophobicContact CG2-CD1 3.77Å; V189-T252 HydrophobicContact CG1-CG2 3.9Å
190Q98.4Very high96.1Very high118 Ų11859 Ų5955%0.55132%0.319SS*.Hα-helixtrans-63.4-45.4179.7-66.8-53.7-41.800112.4D186 G187 L188 L192 L193 H194D186-Q190 WeakPolarHBondContact O-CG 3.29Å; D186-Q190 PolarHBondContact O-N 3Å; G187-Q190 PolarHBondContact O-N 2.83Å; L188-Q190 VanDerWaalsContact C-N 3.35Å; L188-Q190 PolarHBondContact O-N 3.11Å; Q190-L192 VanDerWaalsContact C-N 3.35Å; Q190-L192 PolarHBondContact O-N 3.18Å; Q190-L193 WeakPolarHBondContact O-CB 3.49Å; Q190-L193 PolarHBondContact O-N 2.57Å; Q190-H194 PolarHBondContact O-N 2.78Å
191E98.5Very high96.3Very high84 Ų8460.1 Ų60.139%0.39333%0.325SS..Hα-helixtrans-65.5-38.1177.9-71.5-59.4129.500111.8V177 L183 G187 L188 H194 V195V177-E191 HydrophobicContact CB-CB 4.4Å; V177-E191 HydrophobicContact CG1-CB 3.53Å; V177-E191 HydrophobicContact CG2-CB 3.93Å; L183-E191 HydrophobicContact CD1-CB 4.42Å; L183-E191 HydrophobicContact CD1-CG 4.15Å; L183-E191 HydrophobicContact CD2-CG 4.26Å; G187-E191 WeakPolarHBondContact O-CG 3.34Å; G187-E191 PolarHBondContact O-N 3.26Å; L188-E191 PolarHBondContact O-N 3.14Å; E191-H194 WeakPolarHBondContact O-CB 3.35Å; E191-H194 PolarHBondContact O-N 3.34Å; E191-H194 VanDerWaalsContact O-N 3.17Å; E191-V195 WeakPolarHBondContact O-CG2 3.28Å; E191-V195 PolarHBondContact O-N 2.94Å
192L98.8Very high96.8Very high0 Ų053.9 Ų53.90%030%0.296CS..Hα-helixtrans-66.2-38174.1-69172.7000112.2I21 A23 F174 V177 V178 L188 V189 Q190 H194 V195 L196 I240 L242I21-L192 HydrophobicContact CG2-CD1 3.58Å; I21-L192 HydrophobicContact CG2-CD2 4.49Å; A23-L192 HydrophobicContact CB-CB 4.42Å; A23-L192 HydrophobicContact CB-CD2 4.3Å; F174-L192 HydrophobicContact CD2-CD2 3.42Å; F174-L192 VanDerWaalsContact CD2-CD2 3.42Å; F174-L192 HydrophobicContact CE2-CD2 3.54Å; V177-L192 HydrophobicContact CG1-CD2 3.9Å; V177-L192 HydrophobicContact CG1-CG 4.04Å; V178-L192 HydrophobicContact CG1-CD2 4.23Å; L188-L192 HydrophobicContact CD1-CD1 3.92Å; L188-L192 HydrophobicContact CD1-CG 4.02Å; L188-L192 HydrophobicContact CG-CD1 3.91Å; L188-L192 HydrophobicContact CG-CG 4.42Å; L188-L192 WeakPolarHBondContact O-CB 3.43Å; L188-L192 WeakPolarHBondContact O-CG 3.47Å; L188-L192 PolarHBondContact O-N 2.76Å; V189-L192 PolarHBondContact O-N 2.83Å; Q190-L192 VanDerWaalsContact C-N 3.35Å; Q190-L192 PolarHBondContact O-N 3.18Å; L192-H194 VanDerWaalsContact C-N 3.29Å; L192-H194 PolarHBondContact O-N 3.36Å; L192-V195 WeakPolarHBondContact O-CB 3.31Å; L192-V195 PolarHBondContact O-N 3.17Å; L192-L196 WeakPolarHBondContact O-CG 3.05Å; L192-L196 PolarHBondContact O-N 3.4Å; L192-I240 HydrophobicContact CB-CD1 3.58Å; L192-I240 HydrophobicContact CB-CG1 4.24Å; L192-I240 HydrophobicContact CD1-CD1 4.43Å; L192-I240 HydrophobicContact CD1-CG2 3.79Å; L192-L242 HydrophobicContact CD1-CD2 4.23Å
193L98.7Very high97Very high12 Ų1251.3 Ų51.36%0.06328%0.276CS..Hα-helixtrans-62.7-37.1171.1-73.4173.4000111.4V189 Q190 L196 N197 N238 I240 R254V189-L193 HydrophobicContact CG1-CD1 4.16Å; V189-L193 HydrophobicContact CG1-CG 4.49Å; V189-L193 WeakPolarHBondContact O-CG 3.43Å; V189-L193 PolarHBondContact O-N 2.94Å; Q190-L193 WeakPolarHBondContact O-CB 3.49Å; Q190-L193 PolarHBondContact O-N 2.57Å; L193-L196 PolarHBondContact O-N 3.15Å; L193-N197 WeakPolarHBondContact O-CB 3.21Å; L193-N197 PolarHBondContact O-N 2.81Å; L193-N197 PolarHBondContact O-ND2 2.83Å; L193-N238 HydrophobicContact CD2-CB 3.65Å; L193-I240 HydrophobicContact CD2-CG1 4.13Å; L193-I240 HydrophobicContact CG-CG1 4.23Å; L193-R254 HydrophobicContact CD2-CB 4.19Å
194H98.5Very high97.1Very high135 Ų13553.5 Ų53.563%0.62529%0.292SS*.Hα-helixtrans-62-44.5173.8-17670.3000111.7Q190 E191 L192 L196 N197 N198Q190-H194 PolarHBondContact O-N 2.78Å; E191-H194 WeakPolarHBondContact O-CB 3.35Å; E191-H194 PolarHBondContact O-N 3.34Å; E191-H194 VanDerWaalsContact O-N 3.17Å; L192-H194 VanDerWaalsContact C-N 3.29Å; L192-H194 PolarHBondContact O-N 3.36Å; H194-L196 VanDerWaalsContact C-N 3.32Å; H194-L196 PolarHBondContact O-N 2.95Å; H194-N197 PolarHBondContact O-N 2.88Å; H194-N198 PolarHBondContact O-N 3.39Å
195V98.7Very high97.3Very high8 Ų850.2 Ų50.25%0.04827%0.269CS..Hα-helixtrans-56.3-47.3173.1176.50000111.1F5 H173 F174 V177 E191 L192 N197 N198 V226F5-V195 HydrophobicContact CD2-CG1 4.37Å; F5-V195 HydrophobicContact CE2-CG1 4.19Å; H173-V195 HydrophobicContact CB-CG1 4.25Å; H173-V195 HydrophobicContact CB-CG2 3.94Å; F174-V195 HydrophobicContact CB-CG1 4.43Å; V177-V195 HydrophobicContact CG2-CG2 4.05Å; E191-V195 WeakPolarHBondContact O-CG2 3.28Å; E191-V195 PolarHBondContact O-N 2.94Å; L192-V195 WeakPolarHBondContact O-CB 3.31Å; L192-V195 PolarHBondContact O-N 3.17Å; V195-N197 VanDerWaalsContact C-N 3.29Å; V195-N197 PolarHBondContact O-N 3.13Å; V195-N198 WeakPolarHBondContact O-CB 3.32Å; V195-N198 PolarHBondContact O-N 3.23Å; V195-V226 WeakPolarHBondContact O-CG1 3.41Å
196L98.8Very high97.5Very high0 Ų052.9 Ų52.90%028%0.281CS..Hα-helixtrans-69.5-22.7-178.3-72.5-175.6000114.1F5 A23 A24 N25 L192 L193 H194 C227 N238 I240F5-L196 HydrophobicContact CD2-CD2 4.21Å; F5-L196 HydrophobicContact CE2-CD2 4.32Å; A23-L196 HydrophobicContact CB-CD1 4Å; A23-L196 HydrophobicContact CB-CD2 4.12Å; A23-L196 HydrophobicContact CB-CG 4.1Å; A24-L196 WeakPolarHBondContact O-CD1 3.3Å; N25-L196 PolarHBondContact ND2-O 2.89Å; N25-L196 WeakPolarHBondContact OD1-CB 3.49Å; L192-L196 WeakPolarHBondContact O-CG 3.05Å; L192-L196 PolarHBondContact O-N 3.4Å; L193-L196 PolarHBondContact O-N 3.15Å; H194-L196 VanDerWaalsContact C-N 3.32Å; H194-L196 PolarHBondContact O-N 2.95Å; L196-C227 WeakPolarHBondContact O-CB 2.87Å; L196-N238 HydrophobicContact CD1-CB 3.91Å; L196-I240 HydrophobicContact CD1-CD1 3.56Å; L196-I240 HydrophobicContact CG-CD1 4.48Å
197N98Very high97.5Very high42 Ų4251 Ų5123%0.22527%0.271CS..THydrogen-bonded Turntrans-96.813.7178.1-75.2-88.4000113L193 H194 V195 E199 C227 N238 R254L193-N197 WeakPolarHBondContact O-CB 3.21Å; L193-N197 PolarHBondContact O-N 2.81Å; L193-N197 PolarHBondContact O-ND2 2.83Å; H194-N197 PolarHBondContact O-N 2.88Å; V195-N197 VanDerWaalsContact C-N 3.29Å; V195-N197 PolarHBondContact O-N 3.13Å; N197-E199 PolarHBondContact O-N 2.95Å; N197-C227 VanDerWaalsContact C-CB 3.48Å; N197-N238 PolarHBondContact ND2-OD1 2.87Å; N197-N238 VanDerWaalsContact ND2-OD1 3.08Å; N197-R254 PolarHBondContact OD1-NH1 3.42Å
198N98.1Very high97.4Very high42 Ų4250 Ų5023%0.22526%0.261CS..  trans-72112.4175.2-174.6-18.5000111.7H194 V195 E200 V226 C227H194-N198 PolarHBondContact O-N 3.39Å; V195-N198 WeakPolarHBondContact O-CB 3.32Å; V195-N198 PolarHBondContact O-N 3.23Å; N198-E200 WeakPolarHBondContact OD1-CB 3.41Å; N198-E200 PolarHBondContact OD1-N 3Å; N198-V226 HydrophobicContact CB-CB 4.48Å; N198-V226 PolarHBondContact O-N 3.17Å; N198-C227 VanDerWaalsContact O-CB 3.29Å; N198-C227 WeakPolarHBondContact O-CB 3.47Å; N198-C227 PolarHBondContact O-N 3.41Å
199E97.4Very high97.3Very high106 Ų10653.5 Ų53.550%0.49528%0.277SS..  trans-91.87.2-179.6-60.4-172.8176.800113.7N197 L201 C227 R229N197-E199 PolarHBondContact O-N 2.95Å; E199-L201 PolarHBondContact O-N 3.29Å; E199-C227 HydrophobicContact CG-CB 3.79Å; E199-R229 HydrophobicContact CG-CG 4.24Å; E199-R229 WeakPolarHBondContact OE1-CG 3.37Å; E199-R229 IonicContact OE1-CZ 3.09Å; E199-R229 IonicContact OE1-NE 3.09Å; E199-R229 PolarHBondContact OE1-NE 3.25Å; E199-R229 IonicContact OE1-NH2 2.64Å
200E98.1Very high97.1Very high86 Ų8659.4 Ų59.440%0.40230%0.304SS..  trans-59.6121.8178.3-172.6-172.4168.700110.9K169 N198 N202 A225K169-E200 IonicContact NZ-OE1 2.64Å; K169-E200 PolarHBondContact NZ-OE1 3.4Å; K169-E200 IonicContact NZ-OE2 4Å; N198-E200 WeakPolarHBondContact OD1-CB 3.41Å; N198-E200 PolarHBondContact OD1-N 3Å; E200-N202 PolarHBondContact O-ND2 3.29Å; E200-A225 WeakPolarHBondContact O-CA 3.45Å
201L98Very high96.8Very high98 Ų9856 Ų5651%0.51329%0.289SS..  trans-73.3135.7174.8-59.2179.3000110.4E199 Q221 A225E199-L201 PolarHBondContact O-N 3.29Å; L201-Q221 WeakPolarHBondContact CD2-O 3.45Å; L201-A225 HydrophobicContact CD2-CB 4.29Å
202N97.4Very high96.4Very high7 Ų752.1 Ų52.14%0.03727%0.272CS..  trans-111.526.3-177.6-68-78.6000113.2K165 K166 K169 E200 S224K165-N202 HydrophobicContact CB-CB 3.75Å; K165-N202 WeakPolarHBondContact CD-O 3.39Å; K166-N202 HydrophobicContact CB-CB 4.08Å; K169-N202 WeakPolarHBondContact CD-OD1 3.47Å; K169-N202 WeakPolarHBondContact CE-OD1 3.16Å; K169-N202 PolarHBondContact NZ-OD1 2.98Å; E200-N202 PolarHBondContact O-ND2 3.29Å; N202-S224 VanDerWaalsContact CB-O 3.29Å; N202-S224 WeakPolarHBondContact CB-O 3.09Å; N202-S224 PolarHBondContact N-O 2.67Å; N202-S224 PolarHBondContact N-OG 3.44Å; N202-S224 PolarHBondContact ND2-O 2.88Å
203T94.6Very high96Very high45 Ų4558.6 Ų58.628%0.27630%0.302SS..  trans-87.8151.3175.956.70000112.9Q221 S224T203-Q221 HydrophobicContact CG2-CB 4.21Å; T203-Q221 HydrophobicContact CG2-CG 3.86Å; T203-S224 WeakPolarHBondContact CG2-OG 3.37Å
204P95.5Very high95.6Very high85 Ų8560.9 Ų60.955%0.55233%0.328SS*.  cis-73.3145.1-2.330.1-34.7000111.7K165 E209K165-P204 WeakPolarHBondContact CD-O 3.41Å; K165-P204 VanDerWaalsContact CE-O 3.23Å; K165-P204 WeakPolarHBondContact CE-O 3.41Å; K165-P204 PolarHBondContact NZ-O 3.48Å; P204-E209 WeakPolarHBondContact CA-OE1 3.42Å; P204-E209 WeakPolarHBondContact CB-OE1 3.41Å
205D96.9Very high95.2Very high4 Ų458.3 Ų58.32%0.02131%0.313CS..  trans-13495.3173.7-174.6-17.7000109.1W164 K165 L207 Q208 E209W164-D205 VanDerWaalsContact CA-OD2 3.26Å; W164-D205 WeakPolarHBondContact CA-OD2 3.32Å; K165-D205 HydrophobicContact CD-CB 4.26Å; K165-D205 HydrophobicContact CG-CB 4.4Å; K165-D205 PolarHBondContact N-OD2 2.92Å; D205-L207 VanDerWaalsContact C-N 3.26Å; D205-L207 PolarHBondContact O-N 3.17Å; D205-L207 PolarHBondContact OD1-N 3.26Å; D205-Q208 HydrophobicContact CB-CB 3.96Å; D205-Q208 PolarHBondContact O-N 3.04Å; D205-Q208 VanDerWaalsContact O-N 3.1Å; D205-Q208 PolarHBondContact OD1-N 3.25Å; D205-E209 PolarHBondContact N-OE1 2.93Å; D205-E209 WeakPolarHBondContact O-CB 3.13Å; D205-E209 VanDerWaalsContact O-CG 3.31Å; D205-E209 WeakPolarHBondContact O-CG 3.45Å; D205-E209 PolarHBondContact O-N 3.34Å
206P95.7Very high94.9Very high87 Ų8762.9 Ų62.957%0.56534%0.338SS*.Hα-helixtrans-57.2-35-172.6-2835.5000114.4Q210P206-Q210 VanDerWaalsContact O-CB 3.25Å; P206-Q210 WeakPolarHBondContact O-CB 3.38Å; P206-Q210 PolarHBondContact O-N 2.81Å
207L94.8Very high94.6Very high77 Ų7770.3 Ų70.340%0.40337%0.37SS..Hα-helixtrans-70.9-37.7180-67.2178.6000111.7P163 D205 L211P163-L207 HydrophobicContact CG-CD1 3.91Å; D205-L207 VanDerWaalsContact C-N 3.26Å; D205-L207 PolarHBondContact O-N 3.17Å; D205-L207 PolarHBondContact OD1-N 3.26Å; L207-L211 PolarHBondContact O-N 3.17Å
208Q95.6Very high94.4Very high0 Ų071.5 Ų71.50%038%0.382CS..Hα-helixtrans-71.8-44.8174.8-177.617845.900111M77 W164 D205 Q210 L211 G212 V220 M223M77-Q208 HydrophobicContact CE-CG 4Å; M77-Q208 HydrophobicContact SD-CG 4.28Å; W164-Q208 HydrophobicContact CD2-CB 4.01Å; W164-Q208 HydrophobicContact CD2-CG 4.29Å; W164-Q208 HydrophobicContact CE3-CB 4.39Å; W164-Q208 HydrophobicContact CE3-CG 4.18Å; W164-Q208 HydrophobicContact CG-CB 4.32Å; W164-Q208 HydrophobicContact CH2-CG 4.13Å; W164-Q208 HydrophobicContact CZ2-CB 4.26Å; W164-Q208 HydrophobicContact CZ2-CG 4.22Å; W164-Q208 HydrophobicContact CZ3-CG 4.1Å; D205-Q208 HydrophobicContact CB-CB 3.96Å; D205-Q208 PolarHBondContact O-N 3.04Å; D205-Q208 VanDerWaalsContact O-N 3.1Å; D205-Q208 PolarHBondContact OD1-N 3.25Å; Q208-Q210 VanDerWaalsContact C-N 3.33Å; Q208-Q210 PolarHBondContact O-N 3.29Å; Q208-L211 PolarHBondContact O-N 2.92Å; Q208-G212 PolarHBondContact O-N 3.49Å; Q208-V220 HydrophobicContact CG-CG1 4.39Å; Q208-M223 PolarHBondContact NE2-O 3.37Å
209E94.8Very high94.2Very high82 Ų8271.6 Ų71.638%0.38338%0.383SS..Hα-helixtrans-62.4-39.6-178.7-72.7169.2-159.300111.8P204 D205 G212 E213 V220P204-E209 WeakPolarHBondContact CA-OE1 3.42Å; P204-E209 WeakPolarHBondContact CB-OE1 3.41Å; D205-E209 PolarHBondContact N-OE1 2.93Å; D205-E209 WeakPolarHBondContact O-CB 3.13Å; D205-E209 VanDerWaalsContact O-CG 3.31Å; D205-E209 WeakPolarHBondContact O-CG 3.45Å; D205-E209 PolarHBondContact O-N 3.34Å; E209-G212 CarbonylContact O-C 3.51Å; E209-G212 PolarHBondContact O-N 2.59Å; E209-E213 PolarHBondContact O-N 3.29Å; E209-V220 HydrophobicContact CG-CG1 4.12Å
210Q93.6Very high94Very high129 Ų12967 Ų6760%0.60336%0.363SS*.Hα-helixtrans-63.5-45.6174.9-176.2-175.8-11.100112.3P206 Q208 G212 E213P206-Q210 VanDerWaalsContact O-CB 3.25Å; P206-Q210 WeakPolarHBondContact O-CB 3.38Å; P206-Q210 PolarHBondContact O-N 2.81Å; Q208-Q210 VanDerWaalsContact C-N 3.33Å; Q208-Q210 PolarHBondContact O-N 3.29Å; Q210-G212 PolarHBondContact O-N 2.91Å; Q210-E213 WeakPolarHBondContact O-CG 3.48Å; Q210-E213 PolarHBondContact O-N 3.29Å
211L92Very high93.9Very high47 Ų4766.5 Ų66.525%0.24636%0.361CS..Hα-helixtrans-71.2-23.5176.8-74.1174000112.7Y76 M77 W164 L207 Q208 E213Y76-L211 HydrophobicContact CE1-CD2 4.1Å; M77-L211 HydrophobicContact CB-CB 4.49Å; M77-L211 HydrophobicContact CG-CB 4.35Å; M77-L211 HydrophobicContact SD-CB 4.08Å; W164-L211 HydrophobicContact CZ2-CB 4.31Å; W164-L211 HydrophobicContact CZ2-CD1 3.71Å; L207-L211 PolarHBondContact O-N 3.17Å; Q208-L211 PolarHBondContact O-N 2.92Å; L211-E213 VanDerWaalsContact C-N 3.3Å
212G91.4Very high93.9Very high2 Ų262.5 Ų62.52%0.02134%0.341CS..THydrogen-bonded Turntrans-84.56.1176.200000114.5M77 Q208 E209 Q210 G214 Y215M77-G212 VanDerWaalsContact SD-CA 3.56Å; M77-G212 PolarHBondContact SD-N 3.47Å; Q208-G212 PolarHBondContact O-N 3.49Å; E209-G212 CarbonylContact O-C 3.51Å; E209-G212 PolarHBondContact O-N 2.59Å; Q210-G212 PolarHBondContact O-N 2.91Å; G212-G214 PolarHBondContact O-N 3.21Å; G212-Y215 WeakPolarHBondContact O-CB 3.39Å; G212-Y215 WeakPolarHBondContact O-CD2 3.44Å; G212-Y215 PolarHBondContact O-N 3.07Å
213E89.6Confident93.8Very high137 Ų13762.6 Ų62.664%0.6434%0.342SS*.THydrogen-bonded Turntrans-53.2132.4171.5-77.3179.9-166.900110.1G79 E209 Q210 L211G79-E213 WeakPolarHBondContact CA-O 3.48Å; E209-E213 PolarHBondContact O-N 3.29Å; Q210-E213 WeakPolarHBondContact O-CG 3.48Å; Q210-E213 PolarHBondContact O-N 3.29Å; L211-E213 VanDerWaalsContact C-N 3.3Å
214G89Confident93.9Very high59 Ų5960.4 Ų60.461%0.60833%0.328SS*.THydrogen-bonded Turntrans95.1-17-173.700000114.9G212G212-G214 PolarHBondContact O-N 3.21Å
215Y91.1Very high94Very high81 Ų8156.5 Ų56.532%0.31830%0.303SS..SBendtrans-85.6157.9168.5-68.5-92.3000111.7M1 M77 E78 G212 V219M1-Y215 HydrophobicContact CE-CE1 4.2Å; M1-Y215 HydrophobicContact CE-CE2 4.42Å; M77-Y215 HydrophobicContact CG-CE2 4.12Å; E78-Y215 VanDerWaalsContact O-CE2 3.3Å; E78-Y215 WeakPolarHBondContact O-CE2 3.44Å; E78-Y215 PolarHBondContact O-OH 3.08Å; E78-Y215 VanDerWaalsContact O-OH 3.08Å; G212-Y215 WeakPolarHBondContact O-CB 3.39Å; G212-Y215 WeakPolarHBondContact O-CD2 3.44Å; G212-Y215 PolarHBondContact O-N 3.07Å; Y215-V219 HydrophobicContact CD1-CG1 4.2Å
216N92.8Very high94.1Very high104 Ų10456.5 Ų56.556%0.55630%0.303SS*.  trans-65.3139.3168.2-171-67.1000110.2S218 V219 V220N216-S218 VanDerWaalsContact C-N 3.26Å; N216-S218 PolarHBondContact O-N 2.76Å; N216-S218 PolarHBondContact OD1-N 3.38Å; N216-S218 PolarHBondContact OD1-OG 2.74Å; N216-V219 HydrophobicContact CB-CB 4.42Å; N216-V219 HydrophobicContact CB-CG2 4.09Å; N216-V219 WeakPolarHBondContact O-CA 3.43Å; N216-V219 WeakPolarHBondContact O-CB 3.35Å; N216-V219 PolarHBondContact O-N 2.69Å; N216-V220 PolarHBondContact O-N 3.05Å
217K92.8Very high94.2Very high157 Ų15752.4 Ų52.468%0.68328%0.276SS*.Hα-helixtrans-53.3-40.1179.2-173176.7-177.8176.60113.4V219 V220 Q221K217-V219 VanDerWaalsContact C-N 3.28Å; K217-V219 PolarHBondContact O-N 2.83Å; K217-V220 PolarHBondContact O-N 2.82Å; K217-Q221 WeakPolarHBondContact O-CB 3.3Å; K217-Q221 VanDerWaalsContact O-CG 3.32Å; K217-Q221 WeakPolarHBondContact O-CG 3.29Å; K217-Q221 PolarHBondContact O-N 2.86Å
218S94.1Very high94.3Very high67 Ų6748.8 Ų48.847%0.46926%0.258SS..Hα-helixtrans-66.3-32.5178.765.80000112.3N216 A222N216-S218 VanDerWaalsContact C-N 3.26Å; N216-S218 PolarHBondContact O-N 2.76Å; N216-S218 PolarHBondContact OD1-N 3.38Å; N216-S218 PolarHBondContact OD1-OG 2.74Å; S218-A222 WeakPolarHBondContact O-CB 3.27Å; S218-A222 PolarHBondContact O-N 3.21Å
219V92.4Very high94.3Very high43 Ų4351.8 Ų51.826%0.26127%0.269SS..Hα-helixtrans-70.1-46.4176.1173.80000110.3Y215 N216 K217 Q221 A222 M223Y215-V219 HydrophobicContact CD1-CG1 4.2Å; N216-V219 HydrophobicContact CB-CB 4.42Å; N216-V219 HydrophobicContact CB-CG2 4.09Å; N216-V219 WeakPolarHBondContact O-CA 3.43Å; N216-V219 WeakPolarHBondContact O-CB 3.35Å; N216-V219 PolarHBondContact O-N 2.69Å; K217-V219 VanDerWaalsContact C-N 3.28Å; K217-V219 PolarHBondContact O-N 2.83Å; V219-Q221 VanDerWaalsContact C-N 3.29Å; V219-Q221 PolarHBondContact O-N 2.96Å; V219-A222 PolarHBondContact O-N 3.24Å; V219-M223 HydrophobicContact CG1-CE 3.42Å; V219-M223 VanDerWaalsContact CG1-CE 3.42Å; V219-M223 HydrophobicContact CG1-CG 4.49Å; V219-M223 HydrophobicContact CG1-SD 3.62Å; V219-M223 WeakPolarHBondContact O-CB 3.3Å; V219-M223 VanDerWaalsContact O-CG 3.24Å; V219-M223 WeakPolarHBondContact O-CG 3.17Å; V219-M223 PolarHBondContact O-N 2.75Å
220V94.5Very high94.3Very high11 Ų1149.4 Ų49.47%0.06726%0.261CS..Hα-helixtrans-59.5-42.9175179.80000110.7Q208 E209 N216 K217 M223 S224Q208-V220 HydrophobicContact CG-CG1 4.39Å; E209-V220 HydrophobicContact CG-CG1 4.12Å; N216-V220 PolarHBondContact O-N 3.05Å; K217-V220 PolarHBondContact O-N 2.82Å; V220-M223 PolarHBondContact O-N 3.3Å; V220-S224 PolarHBondContact O-N 3.44Å
221Q95.9Very high94.2Very high75 Ų7548.5 Ų48.535%0.3527%0.267SS..Hα-helixtrans-60.3-50.1175.1-76.8175.3-19.400112.1L201 T203 K217 V219 M223 S224L201-Q221 WeakPolarHBondContact CD2-O 3.45Å; T203-Q221 HydrophobicContact CG2-CB 4.21Å; T203-Q221 HydrophobicContact CG2-CG 3.86Å; K217-Q221 WeakPolarHBondContact O-CB 3.3Å; K217-Q221 VanDerWaalsContact O-CG 3.32Å; K217-Q221 WeakPolarHBondContact O-CG 3.29Å; K217-Q221 PolarHBondContact O-N 2.86Å; V219-Q221 VanDerWaalsContact C-N 3.29Å; V219-Q221 PolarHBondContact O-N 2.96Å; Q221-M223 PolarHBondContact O-N 2.99Å; Q221-S224 WeakPolarHBondContact O-CB 3.07Å; Q221-S224 PolarHBondContact O-N 3.19Å; Q221-S224 PolarHBondContact O-OG 3.44Å
222A96.3Very high94.2Very high13 Ų1353 Ų5311%0.10729%0.286CS..Hα-helixtrans-58.9-38177.200000112.2S218 V219 S224 A225 V228 R229S218-A222 WeakPolarHBondContact O-CB 3.27Å; S218-A222 PolarHBondContact O-N 3.21Å; V219-A222 PolarHBondContact O-N 3.24Å; A222-S224 PolarHBondContact O-N 2.92Å; A222-A225 PolarHBondContact O-N 2.87Å; A222-V228 HydrophobicContact CB-CG1 4.45Å; A222-R229 WeakPolarHBondContact CB-O 3.26Å
223M95.8Very high94.4Very high9 Ų954 Ų544%0.04429%0.29CS..THydrogen-bonded Turntrans-71.5-4.7176.9-70.3166.9172.500113.6M1 M77 K166 Q208 V219 V220 Q221 A225 V228 Y233M1-M223 HydrophobicContact CE-CE 3.57Å; M1-M223 HydrophobicContact CE-SD 3.17Å; M1-M223 WeakPolarHBondContact CE-SD 3.43Å; M1-M223 HydrophobicContact CG-CE 4.18Å; M1-M223 HydrophobicContact CG-SD 4.36Å; M1-M223 HydrophobicContact SD-CB 4.3Å; M1-M223 HydrophobicContact SD-CE 3.92Å; M1-M223 HydrophobicContact SD-CG 3.96Å; M1-M223 HydrophobicContact SD-SD 3.35Å; M77-M223 HydrophobicContact CE-SD 4.35Å; K166-M223 VanDerWaalsContact CD-O 3.26Å; K166-M223 WeakPolarHBondContact CD-O 3.42Å; K166-M223 WeakPolarHBondContact CE-O 3.36Å; K166-M223 PolarHBondContact NZ-O 2.98Å; Q208-M223 PolarHBondContact NE2-O 3.37Å; V219-M223 HydrophobicContact CG1-CE 3.42Å; V219-M223 VanDerWaalsContact CG1-CE 3.42Å; V219-M223 HydrophobicContact CG1-CG 4.49Å; V219-M223 HydrophobicContact CG1-SD 3.62Å; V219-M223 WeakPolarHBondContact O-CB 3.3Å; V219-M223 VanDerWaalsContact O-CG 3.24Å; V219-M223 WeakPolarHBondContact O-CG 3.17Å; V219-M223 PolarHBondContact O-N 2.75Å; V220-M223 PolarHBondContact O-N 3.3Å; Q221-M223 PolarHBondContact O-N 2.99Å; M223-A225 VanDerWaalsContact C-N 3.3Å; M223-V228 HydrophobicContact CG-CG1 4.3Å; M223-Y233 HydrophobicContact CE-CD1 4.08Å; M223-Y233 HydrophobicContact CE-CE1 3.65Å
224S97.1Very high94.8Very high0 Ų047.5 Ų47.50%026%0.259CS..THydrogen-bonded Turntrans-81.2-4172.480.60000113.6K166 N202 T203 V220 Q221 A222K166-S224 WeakPolarHBondContact CB-O 3.34Å; N202-S224 VanDerWaalsContact CB-O 3.29Å; N202-S224 WeakPolarHBondContact CB-O 3.09Å; N202-S224 PolarHBondContact N-O 2.67Å; N202-S224 PolarHBondContact N-OG 3.44Å; N202-S224 PolarHBondContact ND2-O 2.88Å; T203-S224 WeakPolarHBondContact CG2-OG 3.37Å; V220-S224 PolarHBondContact O-N 3.44Å; Q221-S224 WeakPolarHBondContact O-CB 3.07Å; Q221-S224 PolarHBondContact O-N 3.19Å; Q221-S224 PolarHBondContact O-OG 3.44Å; A222-S224 PolarHBondContact O-N 2.92Å
225A98.2Very high95.2Very high2 Ų244.7 Ų44.72%0.01723%0.23CC..SBendtrans-89.2158.8170.600000111.8K166 E200 L201 A222 M223 C227K166-A225 WeakPolarHBondContact CD-O 3.24Å; E200-A225 WeakPolarHBondContact O-CA 3.45Å; L201-A225 HydrophobicContact CD2-CB 4.29Å; A222-A225 PolarHBondContact O-N 2.87Å; M223-A225 VanDerWaalsContact C-N 3.3Å; A225-C227 VanDerWaalsContact CB-O 3.28Å; A225-C227 WeakPolarHBondContact CB-O 3.26Å
226V98.3Very high95.4Very high4 Ų441.6 Ų41.62%0.02422%0.218CC..SBendtrans-69.7-47.4168174.20000109.2I3 F5 N25 V195 N198I3-V226 HydrophobicContact CD1-CG2 4.34Å; I3-V226 HydrophobicContact CG2-CG1 4Å; F5-V226 HydrophobicContact CE2-CG1 4.1Å; F5-V226 HydrophobicContact CZ-CG2 4.39Å; N25-V226 PolarHBondContact ND2-O 3.33Å; V195-V226 WeakPolarHBondContact O-CG1 3.41Å; N198-V226 HydrophobicContact CB-CB 4.48Å; N198-V226 PolarHBondContact O-N 3.17Å
227C98.1Very high95.7Very high1 Ų136.7 Ų36.71%0.00719%0.192CC..SBendtrans-94.8100.9171.7-172.10000109.4L196 N197 N198 E199 A225 R229 T235L196-C227 WeakPolarHBondContact O-CB 2.87Å; N197-C227 VanDerWaalsContact C-CB 3.48Å; N198-C227 VanDerWaalsContact O-CB 3.29Å; N198-C227 WeakPolarHBondContact O-CB 3.47Å; N198-C227 PolarHBondContact O-N 3.41Å; E199-C227 HydrophobicContact CG-CB 3.79Å; A225-C227 VanDerWaalsContact CB-O 3.28Å; A225-C227 WeakPolarHBondContact CB-O 3.26Å; C227-R229 PolarHBondContact SG-NH2 3.06Å; C227-T235 WeakPolarHBondContact CA-OG1 3.4Å
228V97.5Very high95.9Very high1 Ų129.2 Ų29.21%0.00616%0.159CC..  trans-78132.5-175.9-178.90000110.1D27 A222 M223 Y233 G234 T235D27-V228 HydrophobicContact CB-CB 4.39Å; D27-V228 HydrophobicContact CB-CG2 4.48Å; D27-V228 WeakPolarHBondContact OD2-CG2 3.26Å; A222-V228 HydrophobicContact CB-CG1 4.45Å; M223-V228 HydrophobicContact CG-CG1 4.3Å; V228-Y233 HydrophobicContact CG1-CD1 4.29Å; V228-Y233 HydrophobicContact CG1-CE1 4.19Å; V228-G234 CarbonylContact O-C 3.5Å; V228-G234 WeakPolarHBondContact O-CA 3.29Å; V228-T235 PolarHBondContact N-OG1 3.26Å; V228-T235 PolarHBondContact O-N 3.38Å
229R95.4Very high96.2Very high63 Ų6326.1 Ų26.124%0.23814%0.138CC..BIsolated β-bridgetrans-131.7120.9174.9-61.4-66.6172.4-126.813.4110.7E199 A222 C227 T235E199-R229 HydrophobicContact CG-CG 4.24Å; E199-R229 WeakPolarHBondContact OE1-CG 3.37Å; E199-R229 IonicContact OE1-CZ 3.09Å; E199-R229 IonicContact OE1-NE 3.09Å; E199-R229 PolarHBondContact OE1-NE 3.25Å; E199-R229 IonicContact OE1-NH2 2.64Å; A222-R229 WeakPolarHBondContact CB-O 3.26Å; C227-R229 PolarHBondContact SG-NH2 3.06Å; R229-T235 PolarHBondContact NH1-O 3.19Å
230S94.2Very high96.5Very high32 Ų3224.1 Ų24.122%0.22413%0.125CC..  trans-148.5172.3169.283.20000109.7Y30 H232 Y233Y30-S230 WeakPolarHBondContact CE2-O 3.24Å; Y30-S230 PolarHBondContact OH-O 3.48Å; S230-H232 VanDerWaalsContact C-N 3.34Å; S230-H232 PolarHBondContact O-N 2.58Å; S230-Y233 WeakPolarHBondContact CB-O 3.43Å; S230-Y233 PolarHBondContact N-O 2.86Å; S230-Y233 VanDerWaalsContact N-O 3.07Å; S230-Y233 PolarHBondContact OG-N 3.07Å; S230-Y233 PolarHBondContact OG-O 3.42Å
231P92.4Very high96.7Very high111 Ų11123.6 Ų23.672%0.72112%0.122SC*.SBendtrans-57.9-34.9-173.4-29.336.9000116.4
232H92.4Very high96.8Very high140 Ų14020.1 Ų20.165%0.64811%0.106SC*.SBendtrans-127.3-1.4-174.2-58-51000113.9F29 Y30 S230F29-H232 WeakPolarHBondContact CA-O 3.36Å; Y30-H232 VanDerWaalsContact CD2-C 3.43Å; Y30-H232 PolarHBondContact N-O 2.95Å; S230-H232 VanDerWaalsContact C-N 3.34Å; S230-H232 PolarHBondContact O-N 2.58Å
233Y95Very high96.8Very high25 Ų2519.5 Ų19.510%0.09810%0.101CC..EExtended strand (participates in β ladder)trans-149.8139.1-168.7177.1-80.6000110.1M1 D27 E28 F29 Y30 M223 V228 S230M1-Y233 VanDerWaalsContact CA-OH 3.27Å; M1-Y233 WeakPolarHBondContact CA-OH 3.5Å; M1-Y233 WeakPolarHBondContact CB-OH 3Å; M1-Y233 PolarHBondContact N-OH 2.61Å; D27-Y233 HydrophobicContact CB-CE1 3.93Å; D27-Y233 WeakPolarHBondContact CB-OH 3.28Å; D27-Y233 PolarHBondContact O-OH 3.33Å; D27-Y233 VanDerWaalsContact O-OH 3.11Å; E28-Y233 VanDerWaalsContact C-CD2 3.41Å; F29-Y233 HydrophobicContact CD1-CD2 4Å; F29-Y233 HydrophobicContact CD2-CD2 4.34Å; F29-Y233 HydrophobicContact CE1-CD2 4.17Å; F29-Y233 HydrophobicContact CE2-CD2 4.49Å; F29-Y233 HydrophobicContact CG-CD2 4.09Å; F29-Y233 HydrophobicContact CZ-CD2 4.41Å; Y30-Y233 VanDerWaalsContact CZ-C 3.43Å; Y30-Y233 PolarHBondContact OH-O 2.82Å; M223-Y233 HydrophobicContact CE-CD1 4.08Å; M223-Y233 HydrophobicContact CE-CE1 3.65Å; V228-Y233 HydrophobicContact CG1-CD1 4.29Å; V228-Y233 HydrophobicContact CG1-CE1 4.19Å; S230-Y233 WeakPolarHBondContact CB-O 3.43Å; S230-Y233 PolarHBondContact N-O 2.86Å; S230-Y233 VanDerWaalsContact N-O 3.07Å; S230-Y233 PolarHBondContact OG-N 3.07Å; S230-Y233 PolarHBondContact OG-O 3.42Å
234G96.8Very high96.7Very high0 Ų020.7 Ų20.70%011%0.108CC..EExtended strand (participates in β ladder)trans170.1-173177.300000112.4D27 E28 Y30 V228 R236D27-G234 CarbonylContact C-O 3.57Å; D27-G234 WeakPolarHBondContact CA-O 3.21Å; E28-G234 PolarHBondContact N-O 3.02Å; E28-G234 PolarHBondContact O-N 3.24Å; E28-G234 VanDerWaalsContact O-O 3.14Å; Y30-G234 VanDerWaalsContact CE1-N 3.28Å; V228-G234 CarbonylContact O-C 3.5Å; V228-G234 WeakPolarHBondContact O-CA 3.29Å; G234-R236 PolarHBondContact O-N 3.02Å
235T97.6Very high96.4Very high0 Ų023 Ų230%013%0.126CC..EExtended strand (participates in β ladder)trans-63.1118176.3-580000109.9N25 D27 C227 V228 R229 W264N25-T235 HydrophobicContact CB-CG2 3.74Å; N25-T235 VanDerWaalsContact CG-CG2 3.48Å; D27-T235 VanDerWaalsContact OD1-CA 3.28Å; D27-T235 WeakPolarHBondContact OD1-CA 3.32Å; D27-T235 WeakPolarHBondContact OD1-CB 3.34Å; D27-T235 PolarHBondContact OD1-OG1 3.32Å; C227-T235 WeakPolarHBondContact CA-OG1 3.4Å; V228-T235 PolarHBondContact N-OG1 3.26Å; V228-T235 PolarHBondContact O-N 3.38Å; R229-T235 PolarHBondContact NH1-O 3.19Å; T235-W264 WeakPolarHBondContact O-CH2 3.46Å
236R96.5Very high96.1Very high15 Ų1529.4 Ų29.46%0.05716%0.156CC..EExtended strand (participates in β ladder)trans-107-25.5-179.8-71-177.769.7-160.2-6.7113.7R26 E28 F29 Y30 R32 G234 T255 M256 W264R26-R236 PolarHBondContact O-N 3.31Å; E28-R236 WeakPolarHBondContact O-CD 3.27Å; F29-R236 VanDerWaalsContact O-CD 3.28Å; F29-R236 WeakPolarHBondContact O-CD 3.36Å; F29-R236 PolarHBondContact O-NH1 3.37Å; Y30-R236 HydrophobicContact CD1-CG 3.78Å; Y30-R236 HydrophobicContact CE1-CG 4.28Å; Y30-R236 VanDerWaalsContact O-CZ 3.28Å; Y30-R236 PolarHBondContact O-NE 3.17Å; Y30-R236 PolarHBondContact O-NH2 3.36Å; R32-R236 PolarHBondContact O-NH1 3.27Å; R32-R236 PolarHBondContact O-NH2 3.27Å; G234-R236 PolarHBondContact O-N 3.02Å; R236-T255 WeakPolarHBondContact O-CA 3.48Å; R236-T255 PolarHBondContact O-OG1 2.97Å; R236-M256 HydrophobicContact CB-SD 4.24Å; R236-M256 HydrophobicContact CG-SD 3.87Å; R236-M256 PolarHBondContact O-N 3.35Å; R236-W264 VanDerWaalsContact O-CZ3 3.25Å; R236-W264 WeakPolarHBondContact O-CZ3 3.48Å
237T97.9Very high95.8Very high1 Ų129.3 Ų29.31%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-142.4126.7-173.5-49.30000108.9N25 R26 E253 R254 T255N25-T237 WeakPolarHBondContact CA-O 3.12Å; R26-T237 PolarHBondContact N-O 3.31Å; R26-T237 PolarHBondContact O-N 3.43Å; T237-E253 HydrophobicContact CG2-CG 3.53Å; T237-E253 WeakPolarHBondContact CG2-OE2 3.39Å; T237-R254 CarbonylContact C-O 3.58Å; T237-R254 WeakPolarHBondContact CA-O 3Å; T237-T255 PolarHBondContact OG1-OG1 3.21Å; T237-T255 VanDerWaalsContact OG1-OG1 3.04Å
238N98.5Very high95.7Very high0 Ų032.5 Ų32.50%017%0.173CC..EExtended strand (participates in β ladder)trans-101134.3164-46.8122.3000107.7A24 N25 L193 L196 N197 E253 R254A24-N238 CarbonylContact O-C 3.59Å; A24-N238 WeakPolarHBondContact O-CA 3.26Å; N25-N238 PolarHBondContact OD1-ND2 3.29Å; L193-N238 HydrophobicContact CD2-CB 3.65Å; L196-N238 HydrophobicContact CD1-CB 3.91Å; N197-N238 PolarHBondContact ND2-OD1 2.87Å; N197-N238 VanDerWaalsContact ND2-OD1 3.08Å; N238-E253 WeakPolarHBondContact O-CA 3.38Å; N238-R254 HydrophobicContact CB-CB 4.29Å; N238-R254 PolarHBondContact N-O 3.28Å; N238-R254 PolarHBondContact O-N 3.42Å; N238-R254 PolarHBondContact OD1-NH1 2.94Å
239T98.8Very high95.7Very high3 Ų332.5 Ų32.52%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-130.1127.6175-52.30000109.9A23 A24 L62 I241 F251 T252A23-T239 WeakPolarHBondContact CA-O 3.43Å; A24-T239 PolarHBondContact N-O 3.45Å; A24-T239 PolarHBondContact O-N 3.46Å; L62-T239 HydrophobicContact CD2-CG2 3.49Å; L62-T239 VanDerWaalsContact CD2-CG2 3.49Å; L62-T239 HydrophobicContact CG-CG2 4.38Å; T239-I241 HydrophobicContact CG2-CD1 4.45Å; T239-I241 HydrophobicContact CG2-CG1 4.06Å; T239-F251 HydrophobicContact CG2-CD2 4.38Å; T239-F251 HydrophobicContact CG2-CE1 3.91Å; T239-F251 HydrophobicContact CG2-CE2 3.71Å; T239-F251 HydrophobicContact CG2-CZ 3.44Å; T239-F251 VanDerWaalsContact CG2-CZ 3.44Å; T239-T252 CarbonylContact C-O 3.51Å; T239-T252 WeakPolarHBondContact CA-O 3.29Å
240I98.9Very high95.9Very high0 Ų031 Ų310%017%0.171CC..EExtended strand (participates in β ladder)trans-111.4130.1171.1-52.1-54.8000108.5L22 A23 V189 L192 L193 L196 L242 F251 T252L22-I240 CarbonylContact O-C 3.43Å; L22-I240 VanDerWaalsContact O-CA 3.29Å; L22-I240 WeakPolarHBondContact O-CA 3.46Å; A23-I240 HydrophobicContact CB-CD1 3.53Å; V189-I240 HydrophobicContact CG1-CG1 4.41Å; V189-I240 HydrophobicContact CG2-CG2 4.21Å; L192-I240 HydrophobicContact CB-CD1 3.58Å; L192-I240 HydrophobicContact CB-CG1 4.24Å; L192-I240 HydrophobicContact CD1-CD1 4.43Å; L192-I240 HydrophobicContact CD1-CG2 3.79Å; L193-I240 HydrophobicContact CD2-CG1 4.13Å; L193-I240 HydrophobicContact CG-CG1 4.23Å; L196-I240 HydrophobicContact CD1-CD1 3.56Å; L196-I240 HydrophobicContact CG-CD1 4.48Å; I240-L242 HydrophobicContact CG2-CD2 3.91Å; I240-L242 HydrophobicContact CG2-CG 4.1Å; I240-F251 CarbonylContact O-C 3.55Å; I240-F251 WeakPolarHBondContact O-CA 3.22Å; I240-T252 PolarHBondContact N-O 2.93Å; I240-T252 PolarHBondContact O-N 3.41Å
241I98.8Very high96.1Very high0 Ų029.6 Ų29.60%016%0.161CC..EExtended strand (participates in β ladder)trans-125.2120.1172.3-50.2-178.2000108.2L20 L22 L62 I64 L70 T239 I243 V249 T250 F251L20-I241 HydrophobicContact CD2-CG2 4.36Å; L22-I241 HydrophobicContact CB-CB 4.31Å; L22-I241 HydrophobicContact CD2-CD1 4.46Å; L22-I241 HydrophobicContact CD2-CG1 4.39Å; L22-I241 PolarHBondContact N-O 3.43Å; L22-I241 PolarHBondContact O-N 3.29Å; L62-I241 HydrophobicContact CD1-CD1 3.93Å; L62-I241 HydrophobicContact CD2-CD1 4.23Å; L62-I241 HydrophobicContact CG-CD1 4.11Å; I64-I241 HydrophobicContact CD1-CG2 4.4Å; I64-I241 HydrophobicContact CG2-CD1 4.37Å; L70-I241 HydrophobicContact CD1-CD1 3.88Å; L70-I241 HydrophobicContact CD1-CG2 4.4Å; T239-I241 HydrophobicContact CG2-CD1 4.45Å; T239-I241 HydrophobicContact CG2-CG1 4.06Å; I241-I243 HydrophobicContact CG2-CG1 4.41Å; I241-V249 HydrophobicContact CG2-CG1 4.12Å; I241-T250 WeakPolarHBondContact CA-O 3.38Å; I241-F251 HydrophobicContact CD1-CD2 3.69Å; I241-F251 HydrophobicContact CD1-CE2 3.67Å; I241-F251 HydrophobicContact CG1-CD2 3.61Å; I241-F251 HydrophobicContact CG1-CE2 3.92Å; I241-F251 HydrophobicContact CG1-CG 4.43Å
242L98.2Very high96.4Very high2 Ų224.4 Ų24.41%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-112.6133.5173.3-51.4-178.4000108.5Y18 L20 I21 L188 V189 L192 I240 V249 T250Y18-L242 HydrophobicContact CD1-CB 3.85Å; Y18-L242 HydrophobicContact CE1-CB 3.68Å; Y18-L242 HydrophobicContact CE1-CD1 3.92Å; Y18-L242 HydrophobicContact CE1-CG 4.27Å; L20-L242 WeakPolarHBondContact O-CA 3.11Å; I21-L242 HydrophobicContact CB-CD2 4.19Å; I21-L242 HydrophobicContact CG1-CD2 4.08Å; I21-L242 HydrophobicContact CG2-CD2 3.72Å; L188-L242 HydrophobicContact CD2-CD1 4.12Å; L188-L242 HydrophobicContact CD2-CD2 4.03Å; V189-L242 HydrophobicContact CG2-CD1 3.77Å; L192-L242 HydrophobicContact CD1-CD2 4.23Å; I240-L242 HydrophobicContact CG2-CD2 3.91Å; I240-L242 HydrophobicContact CG2-CG 4.1Å; L242-V249 CarbonylContact O-C 3.56Å; L242-V249 VanDerWaalsContact O-CA 3.27Å; L242-V249 WeakPolarHBondContact O-CA 3.35Å; L242-T250 PolarHBondContact N-O 3.44Å; L242-T250 PolarHBondContact O-N 2.79Å
243I96.8Very high96.7Very high0 Ų017.8 Ų17.80%010%0.096CC..EExtended strand (participates in β ladder)trans-124.3113.7169.4-51.9178.9000106.8Y18 R19 L20 I64 F127 I241 N248 V249 L273Y18-I243 CarbonylContact C-O 3.58Å; Y18-I243 VanDerWaalsContact CA-O 3.3Å; Y18-I243 WeakPolarHBondContact CA-O 3.35Å; R19-I243 HydrophobicContact CB-CB 4.47Å; R19-I243 HydrophobicContact CB-CG2 4.32Å; R19-I243 PolarHBondContact N-O 2.82Å; L20-I243 HydrophobicContact CB-CB 4.02Å; L20-I243 HydrophobicContact CB-CD1 3.97Å; L20-I243 HydrophobicContact CB-CG1 3.97Å; L20-I243 HydrophobicContact CD2-CD1 3.82Å; L20-I243 HydrophobicContact CD2-CG1 4.21Å; L20-I243 PolarHBondContact N-O 3.4Å; L20-I243 PolarHBondContact O-N 3.21Å; I64-I243 HydrophobicContact CD1-CD1 3.76Å; I64-I243 HydrophobicContact CD1-CG1 4.45Å; F127-I243 HydrophobicContact CB-CD1 4.39Å; F127-I243 HydrophobicContact CD1-CD1 4.02Å; F127-I243 HydrophobicContact CD2-CD1 3.44Å; F127-I243 VanDerWaalsContact CD2-CD1 3.44Å; F127-I243 HydrophobicContact CE1-CD1 4.18Å; F127-I243 HydrophobicContact CE2-CD1 3.62Å; F127-I243 HydrophobicContact CG-CD1 3.67Å; F127-I243 HydrophobicContact CZ-CD1 4.01Å; I241-I243 HydrophobicContact CG2-CG1 4.41Å; I243-N248 WeakPolarHBondContact CA-O 3.44Å; I243-V249 HydrophobicContact CG1-CG2 4.23Å; I243-L273 HydrophobicContact CG2-CD1 3.86Å
244D94Very high96.9Very high35 Ų3519.3 Ų19.319%0.18710%0.102CC..EExtended strand (participates in β ladder)trans-77.6178.5178.271.113.3000112.5Y18 R19 E246 G247 N248Y18-D244 HydrophobicContact CD1-CB 4.31Å; Y18-D244 HydrophobicContact CE1-CB 4.44Å; R19-D244 VanDerWaalsContact CD-O 3.24Å; R19-D244 WeakPolarHBondContact CD-O 3.44Å; D244-E246 PolarHBondContact O-N 2.97Å; D244-E246 WeakPolarHBondContact OD1-CA 3.48Å; D244-E246 PolarHBondContact OD1-N 3.37Å; D244-G247 PolarHBondContact O-N 2.9Å; D244-G247 VanDerWaalsContact O-N 3.17Å; D244-G247 PolarHBondContact OD1-N 3.45Å; D244-N248 PolarHBondContact N-O 3.18Å; D244-N248 PolarHBondContact OD1-N 2.71Å; D244-N248 PolarHBondContact OD1-ND2 3.07Å; D244-N248 VanDerWaalsContact OD2-CB 3.27Å; D244-N248 WeakPolarHBondContact OD2-CB 3.26Å; D244-N248 PolarHBondContact OD2-ND2 2.9Å
245A91.3Very high96.9Very high47 Ų4719.8 Ų19.839%0.38811%0.105SC..THydrogen-bonded Turntrans-62.8-31-179.600000112.7P12 A17 G247P12-A245 HydrophobicContact CG-CB 4.28Å; A17-A245 PolarHBondContact O-N 2.96Å; A245-G247 VanDerWaalsContact C-N 3.28Å; A245-G247 PolarHBondContact O-N 2.9Å
246E90.8Very high96.8Very high137 Ų13720.3 Ų20.364%0.6411%0.107SC*.THydrogen-bonded Turntrans-82.1-4.1178.7-63.573.2-160.300113.2D244 N272D244-E246 PolarHBondContact O-N 2.97Å; D244-E246 WeakPolarHBondContact OD1-CA 3.48Å; D244-E246 PolarHBondContact OD1-N 3.37Å; E246-N272 PolarHBondContact O-ND2 2.97Å
247G92.7Very high96.5Very high2 Ų225 Ų252%0.02113%0.133CC..  trans7918.3-179.100000113.8D244 A245 N272 L273D244-G247 PolarHBondContact O-N 2.9Å; D244-G247 VanDerWaalsContact O-N 3.17Å; D244-G247 PolarHBondContact OD1-N 3.45Å; A245-G247 VanDerWaalsContact C-N 3.28Å; A245-G247 PolarHBondContact O-N 2.9Å; G247-N272 PolarHBondContact O-ND2 2.94Å; G247-L273 WeakPolarHBondContact O-CG 3.12Å; G247-L273 PolarHBondContact O-N 2.64Å
248N95.6Very high96Very high69 Ų6928.2 Ų28.237%0.36915%0.15SC..EExtended strand (participates in β ladder)trans-75.2131.4167.2-48.2-59.8000109.3I243 D244 N272I243-N248 WeakPolarHBondContact CA-O 3.44Å; D244-N248 PolarHBondContact N-O 3.18Å; D244-N248 PolarHBondContact OD1-N 2.71Å; D244-N248 PolarHBondContact OD1-ND2 3.07Å; D244-N248 VanDerWaalsContact OD2-CB 3.27Å; D244-N248 WeakPolarHBondContact OD2-CB 3.26Å; D244-N248 PolarHBondContact OD2-ND2 2.9Å; N248-N272 PolarHBondContact OD1-ND2 2.83Å
249V98Very high95.5Very high1 Ų132.6 Ų32.61%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-103.2127.4179.3-174.40000109I64 I241 L242 I243 Q270 F271 L273I64-V249 HydrophobicContact CD1-CG1 4.3Å; I64-V249 HydrophobicContact CD1-CG2 4.35Å; I241-V249 HydrophobicContact CG2-CG1 4.12Å; L242-V249 CarbonylContact O-C 3.56Å; L242-V249 VanDerWaalsContact O-CA 3.27Å; L242-V249 WeakPolarHBondContact O-CA 3.35Å; I243-V249 HydrophobicContact CG1-CG2 4.23Å; V249-Q270 VanDerWaalsContact O-CA 3.3Å; V249-Q270 WeakPolarHBondContact O-CA 3.09Å; V249-F271 HydrophobicContact CB-CD1 4.1Å; V249-F271 HydrophobicContact CB-CD2 4.17Å; V249-F271 HydrophobicContact CB-CE1 3.77Å; V249-F271 HydrophobicContact CB-CE2 3.84Å; V249-F271 HydrophobicContact CB-CG 4.31Å; V249-F271 HydrophobicContact CB-CZ 3.64Å; V249-F271 HydrophobicContact CG1-CD1 4.37Å; V249-F271 HydrophobicContact CG1-CE1 3.61Å; V249-F271 HydrophobicContact CG1-CE2 4.25Å; V249-F271 HydrophobicContact CG1-CZ 3.55Å; V249-F271 HydrophobicContact CG2-CD2 4.13Å; V249-F271 HydrophobicContact CG2-CE1 4.43Å; V249-F271 HydrophobicContact CG2-CE2 3.62Å; V249-F271 HydrophobicContact CG2-CZ 3.81Å; V249-F271 PolarHBondContact N-O 3.18Å; V249-F271 PolarHBondContact O-N 3.32Å; V249-L273 HydrophobicContact CG2-CD2 3.59Å; V249-L273 HydrophobicContact CG2-CG 3.77Å
250T98.5Very high94.9Very high32 Ų3235.4 Ų35.420%0.19619%0.191CC..EExtended strand (participates in β ladder)trans-109.5117.7162-63.10000108.1I241 L242I241-T250 WeakPolarHBondContact CA-O 3.38Å; L242-T250 PolarHBondContact N-O 3.44Å; L242-T250 PolarHBondContact O-N 2.79Å
251F98.8Very high94.3Very high1 Ų138.5 Ų38.50%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-114113.8175.6-176.6-72.5000108.4A37 L47 I64 T239 I240 I241 E253 S268 F269A37-F251 HydrophobicContact CB-CD1 4.47Å; A37-F251 HydrophobicContact CB-CE1 3.44Å; A37-F251 VanDerWaalsContact CB-CE1 3.44Å; A37-F251 HydrophobicContact CB-CZ 3.82Å; L47-F251 HydrophobicContact CD2-CB 3.52Å; L47-F251 HydrophobicContact CD2-CD1 3.75Å; L47-F251 HydrophobicContact CD2-CD2 3.79Å; L47-F251 HydrophobicContact CD2-CE1 4.38Å; L47-F251 HydrophobicContact CD2-CE2 4.42Å; L47-F251 HydrophobicContact CD2-CG 3.42Å; L47-F251 VanDerWaalsContact CD2-CG 3.42Å; L47-F251 HydrophobicContact CG-CD1 4.21Å; L47-F251 HydrophobicContact CG-CD2 4.18Å; L47-F251 HydrophobicContact CG-CE1 4.36Å; L47-F251 HydrophobicContact CG-CE2 4.33Å; L47-F251 HydrophobicContact CG-CG 4.13Å; L47-F251 HydrophobicContact CG-CZ 4.43Å; I64-F251 HydrophobicContact CG2-CD2 3.95Å; I64-F251 HydrophobicContact CG2-CE2 4.41Å; T239-F251 HydrophobicContact CG2-CD2 4.38Å; T239-F251 HydrophobicContact CG2-CE1 3.91Å; T239-F251 HydrophobicContact CG2-CE2 3.71Å; T239-F251 HydrophobicContact CG2-CZ 3.44Å; T239-F251 VanDerWaalsContact CG2-CZ 3.44Å; I240-F251 CarbonylContact O-C 3.55Å; I240-F251 WeakPolarHBondContact O-CA 3.22Å; I241-F251 HydrophobicContact CD1-CD2 3.69Å; I241-F251 HydrophobicContact CD1-CE2 3.67Å; I241-F251 HydrophobicContact CG1-CD2 3.61Å; I241-F251 HydrophobicContact CG1-CE2 3.92Å; I241-F251 HydrophobicContact CG1-CG 4.43Å; F251-E253 HydrophobicContact CE1-CB 3.95Å; F251-S268 CarbonylContact O-C 3.54Å; F251-S268 VanDerWaalsContact O-CA 3.29Å; F251-S268 WeakPolarHBondContact O-CA 3.47Å; F251-F269 HydrophobicContact CB-CB 4.4Å; F251-F269 AromaticContact CD1-CD2 3.99Å; F251-F269 HydrophobicContact CD1-CD2 3.99Å; F251-F269 PolarHBondContact N-O 3.1Å; F251-F269 PolarHBondContact O-N 3.47Å
252T98.9Very high93.9Very high3 Ų342.6 Ų42.62%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-113.1123.1175.7-60.60000109.4V189 T239 I240 T266 N267 S268V189-T252 HydrophobicContact CG1-CG2 3.9Å; T239-T252 CarbonylContact C-O 3.51Å; T239-T252 WeakPolarHBondContact CA-O 3.29Å; I240-T252 PolarHBondContact N-O 2.93Å; I240-T252 PolarHBondContact O-N 3.41Å; T252-T266 HydrophobicContact CG2-CG2 3.76Å; T252-N267 WeakPolarHBondContact CA-O 3.08Å; T252-S268 PolarHBondContact OG1-OG 2.84Å
253E98.7Very high93.7Very high1 Ų147 Ų471%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-111.7126.9170.7-175.5178.682.200109.9A36 A37 T237 N238 F251 T255 T266 N267A36-E253 WeakPolarHBondContact CA-OE1 3.33Å; A36-E253 WeakPolarHBondContact CB-OE1 3.34Å; A37-E253 HydrophobicContact CB-CB 4.28Å; A37-E253 WeakPolarHBondContact CB-OE2 3.44Å; A37-E253 PolarHBondContact N-OE1 2.93Å; A37-E253 PolarHBondContact N-OE2 2.92Å; T237-E253 HydrophobicContact CG2-CG 3.53Å; T237-E253 WeakPolarHBondContact CG2-OE2 3.39Å; N238-E253 WeakPolarHBondContact O-CA 3.38Å; F251-E253 HydrophobicContact CE1-CB 3.95Å; E253-T255 HydrophobicContact CG-CG2 4.45Å; E253-T266 CarbonylContact O-C 3.52Å; E253-T266 VanDerWaalsContact O-CA 3.27Å; E253-T266 WeakPolarHBondContact O-CA 3.36Å; E253-N267 PolarHBondContact N-O 3.38Å; E253-N267 PolarHBondContact O-N 2.97Å
254R98.1Very high93.6Very high57 Ų5749 Ų4922%0.21527%0.266CS..EExtended strand (participates in β ladder)trans-110.6113.1165177.4173.8177.9-92.93108.5L193 N197 T237 N238 W264 S265 T266L193-R254 HydrophobicContact CD2-CB 4.19Å; N197-R254 PolarHBondContact OD1-NH1 3.42Å; T237-R254 CarbonylContact C-O 3.58Å; T237-R254 WeakPolarHBondContact CA-O 3Å; N238-R254 HydrophobicContact CB-CB 4.29Å; N238-R254 PolarHBondContact N-O 3.28Å; N238-R254 PolarHBondContact O-N 3.42Å; N238-R254 PolarHBondContact OD1-NH1 2.94Å; R254-W264 HydrophobicContact CG-CB 4.46Å; R254-W264 HydrophobicContact CG-CD2 4.49Å; R254-W264 HydrophobicContact CG-CE3 3.75Å; R254-W264 HydrophobicContact CG-CZ3 4.42Å; R254-S265 CarbonylContact C-O 3.59Å; R254-S265 VanDerWaalsContact CA-O 3.26Å; R254-S265 WeakPolarHBondContact CA-O 3.41Å; R254-T266 HydrophobicContact CB-CG2 4.37Å; R254-T266 WeakPolarHBondContact CG-OG1 3.33Å
255T97Very high93.8Very high9 Ų948.8 Ų48.86%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-132.9148.1-172.9-1650000112.6A36 R236 T237 E253 W264 S265A36-T255 HydrophobicContact CB-CG2 4.03Å; R236-T255 WeakPolarHBondContact O-CA 3.48Å; R236-T255 PolarHBondContact O-OG1 2.97Å; T237-T255 PolarHBondContact OG1-OG1 3.21Å; T237-T255 VanDerWaalsContact OG1-OG1 3.04Å; E253-T255 HydrophobicContact CG-CG2 4.45Å; T255-W264 VanDerWaalsContact C-CE3 3.43Å; T255-W264 WeakPolarHBondContact O-CA 3.44Å; T255-S265 PolarHBondContact N-O 3.22Å; T255-S265 PolarHBondContact O-N 2.62Å; T255-S265 PolarHBondContact O-OG 2.83Å
256M95.6Very high94.1Very high12 Ų1249.9 Ų49.96%0.05927%0.269CS..EExtended strand (participates in β ladder)trans-61.9139.3172.5-69.7177.256.400110.8Y30 R236 D258 T261 K263 W264Y30-M256 HydrophobicContact CD1-CE 4.05Å; Y30-M256 HydrophobicContact CD1-SD 4.06Å; Y30-M256 HydrophobicContact CE1-SD 4.22Å; Y30-M256 HydrophobicContact CG-CE 4.36Å; R236-M256 HydrophobicContact CB-SD 4.24Å; R236-M256 HydrophobicContact CG-SD 3.87Å; R236-M256 PolarHBondContact O-N 3.35Å; M256-D258 VanDerWaalsContact CE-O 3.29Å; M256-D258 WeakPolarHBondContact CE-O 3.32Å; M256-T261 HydrophobicContact CE-CG2 3.81Å; M256-T261 HydrophobicContact SD-CG2 4.37Å; M256-K263 WeakPolarHBondContact CA-O 3.05Å; M256-W264 HydrophobicContact CG-CD2 3.95Å; M256-W264 HydrophobicContact CG-CE3 4.04Å; M256-W264 HydrophobicContact CG-CH2 3.63Å; M256-W264 HydrophobicContact CG-CZ2 3.47Å; M256-W264 VanDerWaalsContact CG-CZ2 3.47Å; M256-W264 HydrophobicContact CG-CZ3 3.92Å; M256-W264 HydrophobicContact SD-CH2 4.26Å; M256-W264 HydrophobicContact SD-CZ2 4.01Å
257L90.1Very high94.4Very high114 Ų11446.9 Ų46.960%0.59726%0.257SS*.SBendtrans-80.9-33.5178.9-73.7176.3000113.1K263 S265L257-K263 HydrophobicContact CB-CB 4.23Å; L257-K263 HydrophobicContact CD1-CB 4.38Å; L257-K263 PolarHBondContact N-O 2.97Å; L257-S265 WeakPolarHBondContact CD2-OG 3.23Å
258D87.4Confident94.7Very high67 Ų6750.3 Ų50.336%0.35828%0.281SS..SBendtrans-150-154.817960.617.7000109.1M256 D260 K263M256-D258 VanDerWaalsContact CE-O 3.29Å; M256-D258 WeakPolarHBondContact CE-O 3.32Å; D258-D260 VanDerWaalsContact C-N 3.27Å; D258-D260 WeakPolarHBondContact OD1-CA 3.25Å; D258-D260 WeakPolarHBondContact OD1-CB 3.47Å; D258-D260 PolarHBondContact OD1-N 3.31Å; D258-K263 IonicContact OD2-NZ 3.52Å; D258-K263 PolarHBondContact OD2-NZ 2.99Å
259V88.6Confident94.8Very high93 Ų9348.9 Ų48.956%0.56427%0.271SS*.SBendtrans-77.7-9.5176.8-61.30000113.6N31 T261N31-V259 HydrophobicContact CB-CG1 4.15Å; V259-T261 PolarHBondContact O-N 3.25Å
260D87.3Confident94.8Very high61 Ų6156 Ų5633%0.32631%0.305SS..  trans-78.3110.6177.5-174.9-16.9000109.9D258 S262 K263D258-D260 VanDerWaalsContact C-N 3.27Å; D258-D260 WeakPolarHBondContact OD1-CA 3.25Å; D258-D260 WeakPolarHBondContact OD1-CB 3.47Å; D258-D260 PolarHBondContact OD1-N 3.31Å; D260-S262 PolarHBondContact O-N 3.29Å; D260-S262 WeakPolarHBondContact OD1-CB 3.18Å; D260-S262 PolarHBondContact OD1-N 2.9Å; D260-S262 PolarHBondContact OD1-OG 3.35Å; D260-S262 PolarHBondContact OD2-OG 2.95Å; D260-K263 HydrophobicContact CB-CB 4.49Å; D260-K263 HydrophobicContact CB-CD 4.16Å; D260-K263 HydrophobicContact CB-CG 4.19Å; D260-K263 PolarHBondContact O-N 3.31Å; D260-K263 VanDerWaalsContact OD2-CE 3.29Å; D260-K263 WeakPolarHBondContact OD2-CE 3.31Å; D260-K263 IonicContact OD2-NZ 3.64Å
261T85.8Confident94.8Very high65 Ų6555.7 Ų55.740%0.39930%0.301SS..THydrogen-bonded Turntrans-65.3-7.1-178.456.20000114Y30 M256 V259 W264Y30-T261 HydrophobicContact CD2-CG2 4.3Å; Y30-T261 HydrophobicContact CE1-CG2 4.16Å; Y30-T261 HydrophobicContact CE2-CG2 3.8Å; M256-T261 HydrophobicContact CE-CG2 3.81Å; M256-T261 HydrophobicContact SD-CG2 4.37Å; V259-T261 PolarHBondContact O-N 3.25Å; T261-W264 PolarHBondContact O-NE1 3.1Å
262S89.4Confident94.6Very high87 Ų8759.7 Ų59.761%0.60832%0.322SS*.THydrogen-bonded Turntrans-88.8-17.4174.172.60000113.6D260D260-S262 PolarHBondContact O-N 3.29Å; D260-S262 WeakPolarHBondContact OD1-CB 3.18Å; D260-S262 PolarHBondContact OD1-N 2.9Å; D260-S262 PolarHBondContact OD1-OG 3.35Å; D260-S262 PolarHBondContact OD2-OG 2.95Å
263K93.7Very high94.4Very high93 Ų9360.2 Ų60.240%0.40433%0.325SS..  trans-100.9110.8-174.2-65.5-176.3-166.1162.10111.8M256 L257 D258 D260M256-K263 WeakPolarHBondContact CA-O 3.05Å; L257-K263 HydrophobicContact CB-CB 4.23Å; L257-K263 HydrophobicContact CD1-CB 4.38Å; L257-K263 PolarHBondContact N-O 2.97Å; D258-K263 IonicContact OD2-NZ 3.52Å; D258-K263 PolarHBondContact OD2-NZ 2.99Å; D260-K263 HydrophobicContact CB-CB 4.49Å; D260-K263 HydrophobicContact CB-CD 4.16Å; D260-K263 HydrophobicContact CB-CG 4.19Å; D260-K263 PolarHBondContact O-N 3.31Å; D260-K263 VanDerWaalsContact OD2-CE 3.29Å; D260-K263 WeakPolarHBondContact OD2-CE 3.31Å; D260-K263 IonicContact OD2-NZ 3.64Å
264W96.4Very high93.9Very high44 Ų4464.6 Ų64.617%0.16735%0.345CS..EExtended strand (participates in β ladder)trans-126.1149.1-179.1-64.476.7000110.9T235 R236 R254 T255 M256 T261T235-W264 WeakPolarHBondContact O-CH2 3.46Å; R236-W264 VanDerWaalsContact O-CZ3 3.25Å; R236-W264 WeakPolarHBondContact O-CZ3 3.48Å; R254-W264 HydrophobicContact CG-CB 4.46Å; R254-W264 HydrophobicContact CG-CD2 4.49Å; R254-W264 HydrophobicContact CG-CE3 3.75Å; R254-W264 HydrophobicContact CG-CZ3 4.42Å; T255-W264 VanDerWaalsContact C-CE3 3.43Å; T255-W264 WeakPolarHBondContact O-CA 3.44Å; M256-W264 HydrophobicContact CG-CD2 3.95Å; M256-W264 HydrophobicContact CG-CE3 4.04Å; M256-W264 HydrophobicContact CG-CH2 3.63Å; M256-W264 HydrophobicContact CG-CZ2 3.47Å; M256-W264 VanDerWaalsContact CG-CZ2 3.47Å; M256-W264 HydrophobicContact CG-CZ3 3.92Å; M256-W264 HydrophobicContact SD-CH2 4.26Å; M256-W264 HydrophobicContact SD-CZ2 4.01Å; T261-W264 PolarHBondContact O-NE1 3.1Å
265S96.4Very high92.3Very high29 Ų2969 Ų6920%0.20339%0.394CS..EExtended strand (participates in β ladder)trans-118.1147.3164.5590000109.3R254 T255 L257R254-S265 CarbonylContact C-O 3.59Å; R254-S265 VanDerWaalsContact CA-O 3.26Å; R254-S265 WeakPolarHBondContact CA-O 3.41Å; T255-S265 PolarHBondContact N-O 3.22Å; T255-S265 PolarHBondContact O-N 2.62Å; T255-S265 PolarHBondContact O-OG 2.83Å; L257-S265 WeakPolarHBondContact CD2-OG 3.23Å
266T97.9Very high92.1Very high71 Ų7172.1 Ų72.144%0.43641%0.411SS..EExtended strand (participates in β ladder)trans-122.7122.3172.4-56.80000108.3T252 E253 R254T252-T266 HydrophobicContact CG2-CG2 3.76Å; E253-T266 CarbonylContact O-C 3.52Å; E253-T266 VanDerWaalsContact O-CA 3.27Å; E253-T266 WeakPolarHBondContact O-CA 3.36Å; R254-T266 HydrophobicContact CB-CG2 4.37Å; R254-T266 WeakPolarHBondContact CG-OG1 3.33Å
267N97.5Very high91.9Very high73 Ų7375.2 Ų75.239%0.3943%0.43SS..EExtended strand (participates in β ladder)trans-122.3140.6175.9-66-43.1000109.3T252 E253 F269T252-N267 WeakPolarHBondContact CA-O 3.08Å; E253-N267 PolarHBondContact N-O 3.38Å; E253-N267 PolarHBondContact O-N 2.97Å; N267-F269 HydrophobicContact CB-CE2 4.11Å; N267-F269 HydrophobicContact CB-CZ 4.47Å
268S98.1Very high92Very high74 Ų7473.1 Ų73.152%0.51742%0.42SS..EExtended strand (participates in β ladder)trans-123137.9175.8-66.40000110.2F251 T252F251-S268 CarbonylContact O-C 3.54Å; F251-S268 VanDerWaalsContact O-CA 3.29Å; F251-S268 WeakPolarHBondContact O-CA 3.47Å; T252-S268 PolarHBondContact OG1-OG 2.84Å
269F98.5Very high92.2Very high39 Ų3973.4 Ų73.417%0.17142%0.424CS..EExtended strand (participates in β ladder)trans-121.1140.4176.3-56-96000108.9A37 F39 L47 F251 N267A37-F269 HydrophobicContact CB-CE2 4.44Å; A37-F269 WeakPolarHBondContact O-CE2 3.32Å; A37-F269 WeakPolarHBondContact O-CZ 3.46Å; F39-F269 HydrophobicContact CD2-CD1 4.21Å; F39-F269 HydrophobicContact CE2-CB 4.4Å; F39-F269 AromaticContact CE2-CD1 3.86Å; F39-F269 HydrophobicContact CE2-CD1 3.86Å; F39-F269 HydrophobicContact CE2-CG 4.48Å; L47-F269 HydrophobicContact CD1-CD1 4.13Å; L47-F269 HydrophobicContact CD1-CD2 3.99Å; L47-F269 HydrophobicContact CD1-CE1 4.25Å; L47-F269 HydrophobicContact CD1-CE2 4.12Å; L47-F269 HydrophobicContact CD1-CG 3.99Å; L47-F269 HydrophobicContact CD1-CZ 4.25Å; L47-F269 HydrophobicContact CD2-CB 3.63Å; L47-F269 HydrophobicContact CD2-CD2 3.99Å; L47-F269 HydrophobicContact CD2-CG 3.83Å; F251-F269 HydrophobicContact CB-CB 4.4Å; F251-F269 AromaticContact CD1-CD2 3.99Å; F251-F269 HydrophobicContact CD1-CD2 3.99Å; F251-F269 PolarHBondContact N-O 3.1Å; F251-F269 PolarHBondContact O-N 3.47Å; N267-F269 HydrophobicContact CB-CE2 4.11Å; N267-F269 HydrophobicContact CB-CZ 4.47Å
270Q98.1Very high92.5Very high150 Ų15072.2 Ų72.270%0.70142%0.415SS*.EExtended strand (participates in β ladder)trans-127.7132.9175.5-70.4178.5-14.900109.7V249V249-Q270 VanDerWaalsContact O-CA 3.3Å; V249-Q270 WeakPolarHBondContact O-CA 3.09Å
271F97.6Very high92.8Very high27 Ų2772.9 Ų72.912%0.11842%0.421CS..EExtended strand (participates in β ladder)trans-157.4162.9175.562.4-84000110.2F39 L47 I64 K66 V249 L273F39-F271 HydrophobicContact CE1-CD1 4.26Å; F39-F271 HydrophobicContact CE1-CE1 4.39Å; F39-F271 HydrophobicContact CZ-CB 4.49Å; F39-F271 AromaticContact CZ-CD1 3.69Å; F39-F271 HydrophobicContact CZ-CD1 3.69Å; F39-F271 HydrophobicContact CZ-CE1 4.14Å; F39-F271 HydrophobicContact CZ-CG 4.19Å; L47-F271 HydrophobicContact CD2-CE1 3.84Å; I64-F271 HydrophobicContact CG1-CZ 4.49Å; I64-F271 HydrophobicContact CG2-CE1 4.48Å; I64-F271 HydrophobicContact CG2-CZ 3.91Å; K66-F271 HydrophobicContact CB-CD2 4.47Å; K66-F271 HydrophobicContact CG-CD2 3.82Å; K66-F271 HydrophobicContact CG-CE2 4.07Å; K66-F271 HydrophobicContact CG-CG 4.48Å; V249-F271 HydrophobicContact CB-CD1 4.1Å; V249-F271 HydrophobicContact CB-CD2 4.17Å; V249-F271 HydrophobicContact CB-CE1 3.77Å; V249-F271 HydrophobicContact CB-CE2 3.84Å; V249-F271 HydrophobicContact CB-CG 4.31Å; V249-F271 HydrophobicContact CB-CZ 3.64Å; V249-F271 HydrophobicContact CG1-CD1 4.37Å; V249-F271 HydrophobicContact CG1-CE1 3.61Å; V249-F271 HydrophobicContact CG1-CE2 4.25Å; V249-F271 HydrophobicContact CG1-CZ 3.55Å; V249-F271 HydrophobicContact CG2-CD2 4.13Å; V249-F271 HydrophobicContact CG2-CE1 4.43Å; V249-F271 HydrophobicContact CG2-CE2 3.62Å; V249-F271 HydrophobicContact CG2-CZ 3.81Å; V249-F271 PolarHBondContact N-O 3.18Å; V249-F271 PolarHBondContact O-N 3.32Å; F271-L273 HydrophobicContact CE2-CD2 4.24Å
272N96.2Very high93.3Very high84 Ų8473.5 Ų73.545%0.44942%0.423SS..EExtended strand (participates in β ladder)trans-99.7142.6174.5-173.7-99.1000110.3E246 G247 N248 Q274E246-N272 PolarHBondContact O-ND2 2.97Å; G247-N272 PolarHBondContact O-ND2 2.94Å; N248-N272 PolarHBondContact OD1-ND2 2.83Å; N272-Q274 PolarHBondContact O-N 2.68Å
273L94.9Very high93.6Very high15 Ų1572.5 Ų72.58%0.07941%0.408CS..PPolyproline II helixtrans-64.2126.2172.2-67.4-178.2000110.3I64 K66 F127 I243 G247 V249 F271I64-L273 HydrophobicContact CD1-CD2 4.42Å; K66-L273 CarbonylContact O-C 3.51Å; K66-L273 WeakPolarHBondContact O-CA 3.38Å; F127-L273 HydrophobicContact CB-CD1 3.58Å; I243-L273 HydrophobicContact CG2-CD1 3.86Å; G247-L273 WeakPolarHBondContact O-CG 3.12Å; G247-L273 PolarHBondContact O-N 2.64Å; V249-L273 HydrophobicContact CG2-CD2 3.59Å; V249-L273 HydrophobicContact CG2-CG 3.77Å; F271-L273 HydrophobicContact CE2-CD2 4.24Å
274Q88.4Confident93.6Very high93 Ų9370.8 Ų70.844%0.43541%0.409SS..PPolyproline II helixtrans-69137.1173.6-65177.5-9.100109.7K66 N272K66-Q274 HydrophobicContact CB-CG 4.11Å; K66-Q274 PolarHBondContact O-N 2.88Å; N272-Q274 PolarHBondContact O-N 2.68Å
275A63.3Low93.4Very high150 Ų15073.2 Ų73.2100%1.2443%0.431SS*.  trans-660176.300000112.9

Retrieved 275 of 275 residues in 230.2 ms (Link to these results)

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