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Ribosomal RNA small subunit methyltransferase I

Catalyzes the 2'-O-methylation of the ribose of cytidine 1402 (C1402) in 16S rRNA. In vitro, active on the assembled 30S subunit, but not naked 16S rRNA or 70S ribosomes.

AlphaFold DB , UniProt , Accession P67087, Species ECOLI (Escherichia coli (strain K12)), Gene rsmI, Length 286 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
1M38.3Very low57.5Low239 Ų239139.2 Ų139.2100%1.17772%0.724SS**  090.60-167.3174171.400107.7Q3M1-Q3 PolarHBondContact O-N 3.06Å
2K39.2Very low60.8Low204 Ų204127.8 Ų127.889%0.88767%0.665SS**  trans-74.3119.2170.1-77.3-175.5177.4-177.90106.1H4K2-H4 PolarHBondContact O-N 3.44Å
3Q44.5Very low63.7Low181 Ų181120.7 Ų120.785%0.84663%0.627SS**  trans-48.4130174.3-73.8168.8-1800108.3M1 Q5M1-Q3 PolarHBondContact O-N 3.06Å; Q3-Q5 PolarHBondContact O-N 3.27Å
4H47Very low66.2Low189 Ų189112.1 Ų112.188%0.87558%0.582SS**  trans-56.6107.9163.4-82.945.6000105.7K2 S6K2-H4 PolarHBondContact O-N 3.44Å; H4-S6 PolarHBondContact O-N 3.04Å
5Q49.9Very low68.3Low178 Ų178107.5 Ų107.583%0.83256%0.555SS**PPolyproline II helixtrans-50.6117.6160.5-83.3170.4-25.100105.2Q3 A7Q3-Q5 PolarHBondContact O-N 3.27Å; Q5-A7 PolarHBondContact O-N 3.28Å
6S51.6Low70.2Confident111 Ų111101.8 Ų101.878%0.77653%0.525SS*.PPolyproline II helixtrans-50117167.847.20000106.2H4 D8H4-S6 PolarHBondContact O-N 3.04Å; S6-D8 PolarHBondContact O-N 3.46Å; S6-D8 VanDerWaalsContact O-N 3.09Å
7A55.9Low71.9Confident61 Ų6195.8 Ų95.850%0.50449%0.494SS..PPolyproline II helixtrans-50.4123.5176.700000107.7Q5 N9Q5-A7 PolarHBondContact O-N 3.28Å; A7-N9 PolarHBondContact O-N 3.34Å
8D62.7Low73.4Confident90 Ų9090.5 Ų90.548%0.48147%0.467SS..  trans-65.5102.8172.9-177.2-4.1000107.3S6 S10 Q11S6-D8 PolarHBondContact O-N 3.46Å; S6-D8 VanDerWaalsContact O-N 3.09Å; D8-S10 PolarHBondContact O-N 3.32Å; D8-S10 WeakPolarHBondContact OD1-CB 3.3Å; D8-S10 PolarHBondContact OD1-N 3.09Å; D8-S10 VanDerWaalsContact OD1-N 3.1Å; D8-S10 PolarHBondContact OD1-OG 3.42Å; D8-S10 PolarHBondContact OD2-OG 3.49Å; D8-S10 VanDerWaalsContact OD2-OG 3.12Å; D8-Q11 HydrophobicContact CB-CG 4.4Å; D8-Q11 PolarHBondContact O-N 3.03Å; D8-Q11 VanDerWaalsContact O-N 3.1Å
9N68.4Low74.7Confident148 Ų14885.8 Ų85.879%0.79144%0.443SS*.THydrogen-bonded Turntrans-67.4-3.7-177-76.2-17.5000113.1A7 Q11A7-N9 PolarHBondContact O-N 3.34Å; N9-Q11 VanDerWaalsContact C-N 3.29Å
10S84.3Confident75.9Confident80 Ų8082.2 Ų82.256%0.55943%0.425SS*.THydrogen-bonded Turntrans-75.9-19.6171.369.50000112.9D8 G84D8-S10 PolarHBondContact O-N 3.32Å; D8-S10 WeakPolarHBondContact OD1-CB 3.3Å; D8-S10 PolarHBondContact OD1-N 3.09Å; D8-S10 VanDerWaalsContact OD1-N 3.1Å; D8-S10 PolarHBondContact OD1-OG 3.42Å; D8-S10 PolarHBondContact OD2-OG 3.49Å; D8-S10 VanDerWaalsContact OD2-OG 3.12Å; S10-G84 WeakPolarHBondContact O-CA 3.41Å
11Q90.6Very high76.9Confident50 Ų5079 Ų7923%0.23441%0.408CS..SBendtrans-88.5149.4179.9-61-176.7-33.500112.1D8 N9 I114D8-Q11 HydrophobicContact CB-CG 4.4Å; D8-Q11 PolarHBondContact O-N 3.03Å; D8-Q11 VanDerWaalsContact O-N 3.1Å; N9-Q11 VanDerWaalsContact C-N 3.29Å; Q11-I114 HydrophobicContact CB-CD1 4.1Å; Q11-I114 HydrophobicContact CG-CD1 4.43Å
12G97.2Very high79.7Confident2 Ų269.1 Ų69.12%0.02137%0.368CS..  trans-73.3167.6173.200000112.2L81 Q85G12-L81 PolarHBondContact N-O 3.02Å; G12-Q85 WeakPolarHBondContact CA-O 3.42Å
13Q98Very high82.5Confident36 Ų3663.1 Ų63.117%0.16835%0.346CS..  trans-116.3142-178.4-53.8-178.812.400110.7Y15 L81 N86 I87 R115Q13-Y15 HydrophobicContact CB-CD2 4.35Å; Q13-Y15 HydrophobicContact CB-CE2 3.73Å; Q13-Y15 PolarHBondContact OE1-OH 3.33Å; Q13-Y15 VanDerWaalsContact OE1-OH 3.08Å; Q13-L81 VanDerWaalsContact C-CD2 3.41Å; Q13-L81 WeakPolarHBondContact O-CD2 3.38Å; Q13-N86 PolarHBondContact N-OD1 3.25Å; Q13-I87 PolarHBondContact O-N 3.31Å; Q13-R115 HydrophobicContact CG-CB 4.18Å
14L98.5Very high85Confident0 Ų057.5 Ų57.50%032%0.321CS..EExtended strand (participates in β ladder)trans-92.7114.3170.4179.767.3000108.9I16 L81 I87 L89 L105 V106 C109 R115 V116 V117L14-I16 HydrophobicContact CD2-CD1 4.05Å; L14-I16 HydrophobicContact CG-CD1 4.06Å; L14-L81 HydrophobicContact CB-CD1 4.31Å; L14-L81 HydrophobicContact CB-CD2 4.27Å; L14-I87 CarbonylContact C-O 3.43Å; L14-I87 WeakPolarHBondContact CA-O 3.3Å; L14-I87 HydrophobicContact CD1-CB 4.24Å; L14-I87 HydrophobicContact CD1-CG2 4.19Å; L14-L89 HydrophobicContact CD1-CB 4.23Å; L14-L105 HydrophobicContact CD1-CD2 4.05Å; L14-L105 HydrophobicContact CD2-CD2 4.17Å; L14-L105 HydrophobicContact CD2-CG 3.93Å; L14-V106 HydrophobicContact CD2-CG2 4.05Å; L14-C109 HydrophobicContact CD2-CB 4.29Å; L14-R115 PolarHBondContact N-O 3.36Å; L14-V116 HydrophobicContact CB-CG2 4.47Å; L14-V116 HydrophobicContact CD2-CG2 4.31Å; L14-V116 CarbonylContact O-C 3.52Å; L14-V116 WeakPolarHBondContact O-CA 3.1Å; L14-V117 PolarHBondContact O-N 2.75Å
15Y98.7Very high87.4Confident44 Ų4452.1 Ų52.117%0.17331%0.309CS..EExtended strand (participates in β ladder)trans-95.2129175-63.8-91.3000110Q13 V34 V38 N86 I87 A88 L89 V117 L119Q13-Y15 HydrophobicContact CB-CD2 4.35Å; Q13-Y15 HydrophobicContact CB-CE2 3.73Å; Q13-Y15 PolarHBondContact OE1-OH 3.33Å; Q13-Y15 VanDerWaalsContact OE1-OH 3.08Å; Y15-V34 HydrophobicContact CD1-CG1 3.89Å; Y15-V34 HydrophobicContact CD1-CG2 4.1Å; Y15-V34 HydrophobicContact CD2-CG1 4.1Å; Y15-V34 HydrophobicContact CE1-CG2 4.33Å; Y15-V34 HydrophobicContact CG-CG1 3.6Å; Y15-V38 HydrophobicContact CD2-CG1 3.83Å; Y15-V38 HydrophobicContact CE2-CG1 4.25Å; Y15-N86 HydrophobicContact CE2-CB 4.14Å; Y15-I87 PolarHBondContact N-O 2.88Å; Y15-A88 CarbonylContact O-C 3.52Å; Y15-A88 WeakPolarHBondContact O-CA 3.34Å; Y15-L89 PolarHBondContact O-N 2.98Å; Y15-V117 WeakPolarHBondContact CA-O 3.23Å; Y15-V117 HydrophobicContact CD1-CB 3.75Å; Y15-V117 HydrophobicContact CD1-CG1 3.91Å; Y15-V117 HydrophobicContact CD1-CG2 4.39Å; Y15-V117 HydrophobicContact CE1-CB 4.02Å; Y15-V117 HydrophobicContact CE1-CG1 4.03Å; Y15-V117 HydrophobicContact CE1-CG2 4.22Å; Y15-V117 HydrophobicContact CG-CB 4.5Å; Y15-L119 HydrophobicContact CD1-CD1 4.13Å
16I98.6Very high89.7Confident15 Ų1546.5 Ų46.58%0.07729%0.285CS..EExtended strand (participates in β ladder)trans-95.3110.6172.1-46-57.3000106.7L14 P18 L89 P96 L97 V106 V116 V117 L119L14-I16 HydrophobicContact CD2-CD1 4.05Å; L14-I16 HydrophobicContact CG-CD1 4.06Å; I16-P18 WeakPolarHBondContact O-CD 3.4Å; I16-L89 HydrophobicContact CD1-CB 4.19Å; I16-L89 HydrophobicContact CD1-CD2 4.02Å; I16-P96 HydrophobicContact CG2-CB 3.81Å; I16-P96 HydrophobicContact CG2-CG 3.9Å; I16-L97 HydrophobicContact CD1-CD1 4.42Å; I16-L97 HydrophobicContact CG2-CD1 4.23Å; I16-V106 HydrophobicContact CD1-CG2 3.67Å; I16-V116 HydrophobicContact CD1-CG1 4.02Å; I16-V116 HydrophobicContact CG1-CG1 3.83Å; I16-V117 PolarHBondContact N-O 2.96Å; I16-L119 WeakPolarHBondContact O-CB 3.21Å; I16-L119 PolarHBondContact O-N 3.31Å
17V98.6Very high91.9Very high0 Ų041.9 Ų41.90%025%0.252CS..  trans-114.2108.7-168.6-176.60000109.8A31 V34 L35 A88 L89 V90 L119V17-A31 HydrophobicContact CG1-CB 3.59Å; V17-V34 HydrophobicContact CG2-CB 4.48Å; V17-V34 HydrophobicContact CG2-CG1 3.77Å; V17-L35 HydrophobicContact CB-CD2 4.4Å; V17-L35 HydrophobicContact CG1-CD1 4.13Å; V17-L35 HydrophobicContact CG1-CD2 4.1Å; V17-L35 HydrophobicContact CG1-CG 3.99Å; V17-L35 HydrophobicContact CG2-CD2 4.48Å; V17-A88 HydrophobicContact CG2-CB 3.82Å; V17-L89 PolarHBondContact N-O 3.16Å; V17-V90 HydrophobicContact CB-CG1 4Å; V17-V90 HydrophobicContact CG1-CG1 4.43Å; V17-L119 HydrophobicContact CG1-CD2 4.45Å; V17-L119 HydrophobicContact CG2-CD2 4.34Å
18P98.4Very high93.9Very high1 Ų141 Ų411%0.00624%0.24CC..  trans-64.6136.6172.7-2435.8000112.7I16 G94 T95 L119I16-P18 WeakPolarHBondContact O-CD 3.4Å; P18-G94 CarbonylContact C-O 3.52Å; P18-G94 VanDerWaalsContact CA-O 3.32Å; P18-G94 WeakPolarHBondContact CA-O 3.43Å; P18-T95 HydrophobicContact CG-CG2 4.17Å; P18-L119 WeakPolarHBondContact CD-O 3.12Å; P18-L119 WeakPolarHBondContact CG-O 3.2Å
19T98.3Very high95.6Very high2 Ų242.8 Ų42.81%0.01225%0.245CC..BIsolated β-bridgetrans-105.9160.5174.855.60000110.7L52 V90 S91 A93 G94 P122T19-L52 HydrophobicContact CG2-CD2 3.73Å; T19-V90 HydrophobicContact CG2-CB 3.89Å; T19-V90 HydrophobicContact CG2-CG1 4Å; T19-S91 PolarHBondContact OG1-O 3.29Å; T19-A93 WeakPolarHBondContact OG1-CA 3.45Å; T19-G94 PolarHBondContact N-O 3Å; T19-G94 WeakPolarHBondContact O-CA 3.49Å; T19-G94 PolarHBondContact O-N 3.17Å; T19-G94 PolarHBondContact OG1-N 3.01Å; T19-G94 PolarHBondContact OG1-O 3.29Å; T19-P122 WeakPolarHBondContact O-CB 3.23Å; T19-P122 WeakPolarHBondContact O-CG 3.46Å
20P98.3Very high97Very high12 Ų1240.9 Ų40.98%0.07823%0.227CC..  trans-52.4144.8172.6-31.239.2000113.8N23 L24 I27 L52 A93P20-N23 WeakPolarHBondContact CB-O 3.46Å; P20-L24 HydrophobicContact CG-CD2 4.39Å; P20-I27 HydrophobicContact CG-CB 3.86Å; P20-L52 HydrophobicContact CG-CD1 4.27Å; P20-A93 WeakPolarHBondContact O-CA 3.5Å
21I97.3Very high97.7Very high15 Ų1537 Ų378%0.07720%0.2CC..SBendtrans-95.2-4.9170.260.8175.2000113A93 G94 P122 A124 L198 T199 K200I21-A93 HydrophobicContact CG2-CB 4.44Å; I21-G94 VanDerWaalsContact CG2-CA 3.48Å; I21-P122 HydrophobicContact CG1-CB 4.46Å; I21-P122 HydrophobicContact CG2-CB 4.12Å; I21-A124 HydrophobicContact CD1-CB 3.97Å; I21-L198 HydrophobicContact CD1-CB 4.13Å; I21-T199 HydrophobicContact CD1-CG2 4.13Å; I21-T199 HydrophobicContact CG1-CG2 4.06Å; I21-K200 WeakPolarHBondContact O-CE 3.42Å
22G97.1Very high98.1Very high32 Ų3235.7 Ų35.733%0.3320%0.195SC..SBendtrans-176.9-67.2179.900000111.8L24 T199G22-L24 PolarHBondContact O-N 2.65Å; G22-T199 WeakPolarHBondContact CA-OG1 3.25Å; G22-T199 PolarHBondContact N-OG1 3.02Å; G22-T199 VanDerWaalsContact N-OG1 3.17Å
23N97.8Very high98.2Very high78 Ų7840.3 Ų40.342%0.41722%0.216SC..  trans-78.1119178.4-171.9-11.6000110.8P20 A25 D26 T199P20-N23 WeakPolarHBondContact CB-O 3.46Å; N23-A25 PolarHBondContact O-N 3.1Å; N23-A25 WeakPolarHBondContact OD1-CB 3.49Å; N23-A25 PolarHBondContact OD1-N 2.97Å; N23-D26 WeakPolarHBondContact CB-OD2 3.39Å; N23-D26 WeakPolarHBondContact O-CB 3.39Å; N23-D26 PolarHBondContact O-N 3.07Å; N23-T199 WeakPolarHBondContact CB-O 3.31Å; N23-T199 PolarHBondContact N-O 3.09Å; N23-T199 VanDerWaalsContact N-O 3.11Å; N23-T199 PolarHBondContact N-OG1 3.12Å
24L97.4Very high98.2Very high63 Ų6339.4 Ų39.433%0.3321%0.212SC..G310 helixtrans-57.1-26.3178.9-64.4176000113P20 G22 D26 I27 L52 H55 F56P20-L24 HydrophobicContact CG-CD2 4.39Å; G22-L24 PolarHBondContact O-N 2.65Å; L24-D26 PolarHBondContact O-N 2.81Å; L24-I27 WeakPolarHBondContact O-CG2 3.37Å; L24-I27 PolarHBondContact O-N 3.07Å; L24-L52 HydrophobicContact CD2-CD1 3.75Å; L24-H55 HydrophobicContact CD1-CB 4.48Å; L24-H55 VanDerWaalsContact CD1-CE1 3.49Å; L24-H55 WeakPolarHBondContact CD1-CE1 3.32Å; L24-F56 HydrophobicContact CB-CZ 4.28Å; L24-F56 WeakPolarHBondContact O-CZ 3.38Å
25A97.3Very high98.2Very high76 Ų7639.5 Ų39.563%0.62821%0.213SC*.G310 helixtrans-68.5-12.4176.500000114.4N23 I27N23-A25 PolarHBondContact O-N 3.1Å; N23-A25 WeakPolarHBondContact OD1-CB 3.49Å; N23-A25 PolarHBondContact OD1-N 2.97Å; A25-I27 PolarHBondContact O-N 3.1Å
26D98.1Very high98.2Very high60 Ų6043.2 Ų43.232%0.32123%0.232SC..G310 helixtrans-78.7-6.4-179.5-61.7-25.4000112.9N23 L24 P122 T199N23-D26 WeakPolarHBondContact CB-OD2 3.39Å; N23-D26 WeakPolarHBondContact O-CB 3.39Å; N23-D26 PolarHBondContact O-N 3.07Å; L24-D26 PolarHBondContact O-N 2.81Å; D26-P122 HydrophobicContact CB-CG 3.91Å; D26-P122 VanDerWaalsContact O-CG 3.28Å; D26-P122 WeakPolarHBondContact O-CG 3.39Å; D26-T199 VanDerWaalsContact OD2-CB 3.29Å; D26-T199 WeakPolarHBondContact OD2-CB 3.24Å; D26-T199 VanDerWaalsContact OD2-CG2 3.27Å; D26-T199 WeakPolarHBondContact OD2-CG2 3.49Å
27I98.1Very high98.1Very high15 Ų1546.1 Ų46.18%0.07726%0.258CS..SBendtrans-68.7133.9171.3-162.3163.4000110.1P20 L24 A25 A31 L32 L35 F56P20-I27 HydrophobicContact CG-CB 3.86Å; L24-I27 WeakPolarHBondContact O-CG2 3.37Å; L24-I27 PolarHBondContact O-N 3.07Å; A25-I27 PolarHBondContact O-N 3.1Å; I27-A31 HydrophobicContact CD1-CB 4.3Å; I27-A31 HydrophobicContact CG1-CB 3.77Å; I27-L32 HydrophobicContact CD1-CD2 3.81Å; I27-L32 HydrophobicContact CD1-CG 4.34Å; I27-L32 HydrophobicContact CG1-CD2 4.32Å; I27-L32 HydrophobicContact CG1-CG 4.35Å; I27-L32 HydrophobicContact CG2-CD1 4.06Å; I27-L32 HydrophobicContact CG2-CD2 3.93Å; I27-L32 HydrophobicContact CG2-CG 3.97Å; I27-L35 HydrophobicContact CD1-CD1 4.11Å; I27-F56 HydrophobicContact CG2-CE1 4.04Å; I27-F56 HydrophobicContact CG2-CE2 3.83Å; I27-F56 HydrophobicContact CG2-CZ 3.46Å; I27-F56 VanDerWaalsContact CG2-CZ 3.46Å
28T98.3Very high98.1Very high43 Ų4346.7 Ų46.726%0.26426%0.262SS..  trans-76.3151.7-179.970.90000111.4R30 A31 L32T28-R30 PolarHBondContact O-N 2.98Å; T28-A31 WeakPolarHBondContact O-CB 3.41Å; T28-A31 PolarHBondContact O-N 2.78Å; T28-A31 WeakPolarHBondContact OG1-CB 3.36Å; T28-A31 PolarHBondContact OG1-N 3Å; T28-A31 VanDerWaalsContact OG1-N 3.14Å; T28-L32 PolarHBondContact O-N 3.25Å; T28-L32 VanDerWaalsContact O-N 3.17Å
29Q98.2Very high98.1Very high126 Ų12649.5 Ų49.559%0.58928%0.277SS*.Hα-helixtrans-54.6-41.7173.9-179.657.836.400112.2A31 L32 E33Q29-A31 VanDerWaalsContact C-N 3.34Å; Q29-A31 PolarHBondContact O-N 3.43Å; Q29-L32 PolarHBondContact O-N 3.04Å; Q29-E33 WeakPolarHBondContact CG-OE1 3.38Å; Q29-E33 PolarHBondContact NE2-OE1 3.14Å; Q29-E33 WeakPolarHBondContact O-CG 3.32Å; Q29-E33 PolarHBondContact O-N 3.08Å
30R98.5Very high98.1Very high108 Ų10850.1 Ų50.141%0.40828%0.28SS..Hα-helixtrans-66.1-33.8177.5-176179.2160.6-149.4-11.2112.5T28 V34 L119T28-R30 PolarHBondContact O-N 2.98Å; R30-V34 WeakPolarHBondContact O-CB 3.49Å; R30-V34 VanDerWaalsContact O-CG2 3.31Å; R30-V34 WeakPolarHBondContact O-CG2 3.45Å; R30-V34 PolarHBondContact O-N 3.04Å; R30-L119 HydrophobicContact CB-CD2 4.46Å; R30-L119 HydrophobicContact CG-CD2 3.96Å; R30-L119 HydrophobicContact CG-CG 4.35Å
31A98.6Very high98.2Very high0 Ų049.5 Ų49.50%028%0.276CS..Hα-helixtrans-64-45.2174.500000110.9V17 I27 T28 Q29 E33 V34 L35 L119V17-A31 HydrophobicContact CG1-CB 3.59Å; I27-A31 HydrophobicContact CD1-CB 4.3Å; I27-A31 HydrophobicContact CG1-CB 3.77Å; T28-A31 WeakPolarHBondContact O-CB 3.41Å; T28-A31 PolarHBondContact O-N 2.78Å; T28-A31 WeakPolarHBondContact OG1-CB 3.36Å; T28-A31 PolarHBondContact OG1-N 3Å; T28-A31 VanDerWaalsContact OG1-N 3.14Å; Q29-A31 VanDerWaalsContact C-N 3.34Å; Q29-A31 PolarHBondContact O-N 3.43Å; A31-E33 PolarHBondContact O-N 2.91Å; A31-V34 PolarHBondContact O-N 2.92Å; A31-L35 WeakPolarHBondContact O-CB 3.34Å; A31-L35 VanDerWaalsContact O-CG 3.24Å; A31-L35 WeakPolarHBondContact O-CG 3.36Å; A31-L35 PolarHBondContact O-N 2.95Å; A31-L119 HydrophobicContact CB-CD2 4.1Å
32L98.6Very high98.2Very high21 Ų2148.8 Ų48.811%0.1127%0.272CS..Hα-helixtrans-59.9-46.1175.7-65.5173000112.3I27 T28 Q29 V34 L35 Q36 F56 I58I27-L32 HydrophobicContact CD1-CD2 3.81Å; I27-L32 HydrophobicContact CD1-CG 4.34Å; I27-L32 HydrophobicContact CG1-CD2 4.32Å; I27-L32 HydrophobicContact CG1-CG 4.35Å; I27-L32 HydrophobicContact CG2-CD1 4.06Å; I27-L32 HydrophobicContact CG2-CD2 3.93Å; I27-L32 HydrophobicContact CG2-CG 3.97Å; T28-L32 PolarHBondContact O-N 3.25Å; T28-L32 VanDerWaalsContact O-N 3.17Å; Q29-L32 PolarHBondContact O-N 3.04Å; L32-V34 PolarHBondContact O-N 3.17Å; L32-L35 PolarHBondContact O-N 2.99Å; L32-Q36 VanDerWaalsContact O-CG 3.3Å; L32-Q36 WeakPolarHBondContact O-CG 3.41Å; L32-Q36 PolarHBondContact O-N 3.44Å; L32-F56 HydrophobicContact CD1-CD1 4.13Å; L32-F56 HydrophobicContact CD1-CE1 4.23Å; L32-F56 HydrophobicContact CD2-CB 3.93Å; L32-F56 HydrophobicContact CD2-CD1 3.69Å; L32-F56 HydrophobicContact CD2-CD2 3.8Å; L32-F56 HydrophobicContact CD2-CE1 4.14Å; L32-F56 HydrophobicContact CD2-CE2 4.24Å; L32-F56 HydrophobicContact CD2-CG 3.51Å; L32-F56 HydrophobicContact CD2-CZ 4.41Å; L32-I58 HydrophobicContact CD2-CD1 3.98Å
33E98.5Very high98.2Very high99 Ų9947.3 Ų47.346%0.46326%0.257SS..Hα-helixtrans-59.7-44177.3-72.8165.7-170.700112.2Q29 A31 Q36 A37Q29-E33 WeakPolarHBondContact CG-OE1 3.38Å; Q29-E33 PolarHBondContact NE2-OE1 3.14Å; Q29-E33 WeakPolarHBondContact O-CG 3.32Å; Q29-E33 PolarHBondContact O-N 3.08Å; A31-E33 PolarHBondContact O-N 2.91Å; E33-Q36 PolarHBondContact O-N 3.04Å; E33-A37 VanDerWaalsContact O-CB 3.3Å; E33-A37 WeakPolarHBondContact O-CB 3.39Å; E33-A37 PolarHBondContact O-N 3.06Å; E33-A37 VanDerWaalsContact O-N 3.09Å
34V98.6Very high97.9Very high17 Ų1746.3 Ų46.310%0.10325%0.249CC..Hα-helixtrans-65.1-47.1177.1169.10000110.9Y15 V17 R30 A31 L32 Q36 A37 V38 L119Y15-V34 HydrophobicContact CD1-CG1 3.89Å; Y15-V34 HydrophobicContact CD1-CG2 4.1Å; Y15-V34 HydrophobicContact CD2-CG1 4.1Å; Y15-V34 HydrophobicContact CE1-CG2 4.33Å; Y15-V34 HydrophobicContact CG-CG1 3.6Å; V17-V34 HydrophobicContact CG2-CB 4.48Å; V17-V34 HydrophobicContact CG2-CG1 3.77Å; R30-V34 WeakPolarHBondContact O-CB 3.49Å; R30-V34 VanDerWaalsContact O-CG2 3.31Å; R30-V34 WeakPolarHBondContact O-CG2 3.45Å; R30-V34 PolarHBondContact O-N 3.04Å; A31-V34 PolarHBondContact O-N 2.92Å; L32-V34 PolarHBondContact O-N 3.17Å; V34-Q36 PolarHBondContact O-N 3.38Å; V34-A37 PolarHBondContact O-N 3.46Å; V34-V38 HydrophobicContact CG1-CG1 3.87Å; V34-V38 WeakPolarHBondContact O-CG1 3.46Å; V34-V38 WeakPolarHBondContact O-CG2 3.35Å; V34-V38 PolarHBondContact O-N 3.26Å; V34-L119 HydrophobicContact CB-CD2 4.37Å; V34-L119 HydrophobicContact CG2-CD2 4.06Å
35L98.7Very high97.8Very high2 Ų245 Ų451%0.0124%0.243CC..Hα-helixtrans-61.8-29.9179.7-68170.9000112.7V17 I27 A31 L32 I41 L53 I58 A88 V90V17-L35 HydrophobicContact CB-CD2 4.4Å; V17-L35 HydrophobicContact CG1-CD1 4.13Å; V17-L35 HydrophobicContact CG1-CD2 4.1Å; V17-L35 HydrophobicContact CG1-CG 3.99Å; V17-L35 HydrophobicContact CG2-CD2 4.48Å; I27-L35 HydrophobicContact CD1-CD1 4.11Å; A31-L35 WeakPolarHBondContact O-CB 3.34Å; A31-L35 VanDerWaalsContact O-CG 3.24Å; A31-L35 WeakPolarHBondContact O-CG 3.36Å; A31-L35 PolarHBondContact O-N 2.95Å; L32-L35 PolarHBondContact O-N 2.99Å; L35-I41 HydrophobicContact CB-CD1 4.43Å; L35-I41 HydrophobicContact CD2-CD1 3.8Å; L35-I41 HydrophobicContact CD2-CG1 4.15Å; L35-I41 HydrophobicContact CD2-CG2 4.46Å; L35-L53 HydrophobicContact CB-CD2 4.39Å; L35-L53 HydrophobicContact CD1-CD2 4.35Å; L35-I58 HydrophobicContact CB-CD1 3.94Å; L35-A88 HydrophobicContact CD2-CB 3.92Å; L35-V90 HydrophobicContact CD2-CG1 3.87Å
36Q98.3Very high97.7Very high122 Ų12243.6 Ų43.657%0.5723%0.226SC*.Hα-helixtrans-75.3-30.4172.9-71.9172.524.800113.4L32 E33 V34 I58L32-Q36 VanDerWaalsContact O-CG 3.3Å; L32-Q36 WeakPolarHBondContact O-CG 3.41Å; L32-Q36 PolarHBondContact O-N 3.44Å; E33-Q36 PolarHBondContact O-N 3.04Å; V34-Q36 PolarHBondContact O-N 3.38Å; Q36-I58 HydrophobicContact CG-CB 4.37Å; Q36-I58 HydrophobicContact CG-CD1 3.88Å; Q36-I58 HydrophobicContact CG-CG1 3.68Å; Q36-I58 HydrophobicContact CG-CG2 4Å
37A98Very high97.6Very high76 Ų7649.6 Ų49.663%0.62825%0.245SC*.Hα-helixtrans-94.8-22.2-171.400000114.7E33 V34E33-A37 VanDerWaalsContact O-CB 3.3Å; E33-A37 WeakPolarHBondContact O-CB 3.39Å; E33-A37 PolarHBondContact O-N 3.06Å; E33-A37 VanDerWaalsContact O-N 3.09Å; V34-A37 PolarHBondContact O-N 3.46Å
38V98.6Very high97.5Very high13 Ų1353 Ų538%0.07926%0.26CS..  trans-72.2152.4-179.5-68.20000112.7Y15 V34 I41 N86 A88Y15-V38 HydrophobicContact CD2-CG1 3.83Å; Y15-V38 HydrophobicContact CE2-CG1 4.25Å; V34-V38 HydrophobicContact CG1-CG1 3.87Å; V34-V38 WeakPolarHBondContact O-CG1 3.46Å; V34-V38 WeakPolarHBondContact O-CG2 3.35Å; V34-V38 PolarHBondContact O-N 3.26Å; V38-I41 HydrophobicContact CG2-CG1 3.77Å; V38-N86 HydrophobicContact CB-CB 4.44Å; V38-N86 HydrophobicContact CG1-CB 4.15Å; V38-A88 HydrophobicContact CB-CB 4.47Å; V38-A88 HydrophobicContact CG1-CB 4.12Å; V38-A88 HydrophobicContact CG2-CB 3.87Å
39D98.4Very high97.5Very high60 Ų6051.1 Ų51.132%0.32125%0.248SC..SBendtrans-77.8-25.6-179.5-61.6-73.7000113.2R61 Q85 N86D39-R61 PolarHBondContact O-NE 3.06Å; D39-R61 PolarHBondContact O-NH2 2.99Å; D39-Q85 HydrophobicContact CB-CB 4.12Å; D39-Q85 HydrophobicContact CB-CG 4.4Å; D39-Q85 WeakPolarHBondContact OD2-CA 3.28Å; D39-N86 PolarHBondContact N-O 3.38Å; D39-N86 PolarHBondContact OD2-N 3.03Å
40L98.4Very high97.5Very high14 Ų1446.2 Ų46.27%0.07323%0.232CC..EExtended strand (participates in β ladder)trans-153.2143.7-175-168.370.3000110.7R61 F63 L77 K80 N86 I87 A88L40-R61 HydrophobicContact CD1-CB 3.72Å; L40-F63 HydrophobicContact CD1-CB 4.06Å; L40-F63 HydrophobicContact CD2-CB 3.89Å; L40-F63 HydrophobicContact CD2-CD2 4.33Å; L40-F63 HydrophobicContact CD2-CG 4.29Å; L40-F63 HydrophobicContact CG-CB 4.01Å; L40-L77 HydrophobicContact CD2-CD2 3.81Å; L40-K80 HydrophobicContact CD2-CD 3.92Å; L40-N86 PolarHBondContact N-O 2.98Å; L40-I87 HydrophobicContact CB-CG1 4.32Å; L40-I87 HydrophobicContact CD2-CD1 4.27Å; L40-I87 VanDerWaalsContact O-CA 3.29Å; L40-I87 WeakPolarHBondContact O-CA 3.34Å; L40-A88 PolarHBondContact O-N 2.93Å
41I98.5Very high97.4Very high0 Ų046.7 Ų46.70%024%0.242CC..EExtended strand (participates in β ladder)trans-114.7114.8172-60170000108.4L35 V38 T49 L53 A60 R61 L62 F63 A88 V90L35-I41 HydrophobicContact CB-CD1 4.43Å; L35-I41 HydrophobicContact CD2-CD1 3.8Å; L35-I41 HydrophobicContact CD2-CG1 4.15Å; L35-I41 HydrophobicContact CD2-CG2 4.46Å; V38-I41 HydrophobicContact CG2-CG1 3.77Å; I41-T49 HydrophobicContact CG2-CG2 4.3Å; I41-L53 HydrophobicContact CD1-CD1 3.72Å; I41-L53 HydrophobicContact CD1-CD2 3.88Å; I41-L53 HydrophobicContact CD1-CG 4.45Å; I41-A60 HydrophobicContact CD1-CB 3.41Å; I41-A60 VanDerWaalsContact CD1-CB 3.41Å; I41-A60 HydrophobicContact CG1-CB 4.1Å; I41-R61 PolarHBondContact N-O 3.01Å; I41-L62 HydrophobicContact CB-CD2 3.93Å; I41-L62 HydrophobicContact CG2-CD2 3.95Å; I41-L62 CarbonylContact O-C 3.59Å; I41-L62 WeakPolarHBondContact O-CA 3.28Å; I41-F63 PolarHBondContact O-N 3.34Å; I41-A88 CarbonylContact C-O 3.55Å; I41-A88 WeakPolarHBondContact CA-O 3.39Å; I41-A88 HydrophobicContact CG1-CB 4.26Å; I41-V90 HydrophobicContact CG2-CG1 4.24Å; I41-V90 HydrophobicContact CG2-CG2 3.71Å
42A97.8Very high97.4Very high0 Ų047.3 Ų47.30%025%0.245CC..EExtended strand (participates in β ladder)trans-80.2120.9167.300000109.1F63 L77 I87 A88 L89 V90A42-F63 CarbonylContact C-O 3.58Å; A42-F63 VanDerWaalsContact CA-O 3.28Å; A42-F63 WeakPolarHBondContact CA-O 3.39Å; A42-L77 HydrophobicContact CB-CD1 3.91Å; A42-L77 HydrophobicContact CB-CD2 4.42Å; A42-I87 HydrophobicContact CB-CG2 4.18Å; A42-A88 PolarHBondContact N-O 3.18Å; A42-L89 HydrophobicContact CB-CD1 4.13Å; A42-L89 WeakPolarHBondContact O-CA 3.43Å; A42-V90 PolarHBondContact O-N 3.27Å
43A96.5Very high97.4Very high0 Ų046.6 Ų46.60%024%0.241CC..EExtended strand (participates in β ladder)trans-131.7147.3-173.600000111.5T46 T49 L62 F63 A64 L65 V90A43-T46 HydrophobicContact CB-CG2 4.38Å; A43-T49 HydrophobicContact CB-CG2 4.11Å; A43-T49 WeakPolarHBondContact CB-OG1 3.44Å; A43-L62 HydrophobicContact CB-CD2 4.28Å; A43-F63 PolarHBondContact N-O 3.23Å; A43-A64 CarbonylContact O-C 3.52Å; A43-A64 WeakPolarHBondContact O-CA 3.45Å; A43-L65 PolarHBondContact O-N 3.28Å; A43-V90 HydrophobicContact CB-CG2 3.66Å
44E92.4Very high97.3Very high57 Ų5748.9 Ų48.927%0.26625%0.252SS..SBendtrans-63.6-65.8172.4-176.3-178.4178.500111.8L65 H66 P101E44-L65 WeakPolarHBondContact CA-O 3.32Å; E44-H66 PolarHBondContact O-CE1 2.8Å; E44-H66 PolarHBondContact O-ND1 2.83Å; E44-P101 HydrophobicContact CB-CG 4.13Å; E44-P101 HydrophobicContact CG-CG 3.89Å
45D94.4Very high97.3Very high36 Ų3653.6 Ų53.619%0.19327%0.273CS..  trans-108.2112.5167-167.9-30.4000110.4R47 H48 T49 D92D45-R47 PolarHBondContact O-N 3.45Å; D45-R47 WeakPolarHBondContact OD1-CA 3.42Å; D45-R47 VanDerWaalsContact OD1-CB 3.22Å; D45-R47 WeakPolarHBondContact OD1-CB 3.48Å; D45-R47 PolarHBondContact OD1-N 3Å; D45-R47 IonicContact OD1-NE 3.43Å; D45-R47 PolarHBondContact OD1-NE 3.44Å; D45-R47 IonicContact OD1-NH2 2.78Å; D45-R47 IonicContact OD2-CZ 2.67Å; D45-R47 IonicContact OD2-NE 3.99Å; D45-R47 PolarHBondContact OD2-NE 3.44Å; D45-R47 IonicContact OD2-NH2 3.53Å; D45-R47 PolarHBondContact OD2-NH2 2.93Å; D45-H48 HydrophobicContact CB-CB 3.99Å; D45-H48 PolarHBondContact O-N 3.21Å; D45-H48 PolarHBondContact OD1-N 3.4Å; D45-T49 PolarHBondContact O-N 3.34Å; D45-T49 PolarHBondContact O-OG1 3.26Å; D45-D92 WeakPolarHBondContact CB-OD1 3.44Å; D45-D92 WeakPolarHBondContact CB-OD2 3.17Å; D45-D92 PolarHBondContact N-OD1 3.49Å
46T95.9Very high97.3Very high46 Ų4656.2 Ų56.228%0.28228%0.284SS..Hα-helixtrans-66.7-23.5179.456.70000113A43 G50 L62 A64A43-T46 HydrophobicContact CB-CG2 4.38Å; T46-G50 WeakPolarHBondContact O-CA 3.44Å; T46-G50 PolarHBondContact O-N 2.97Å; T46-L62 HydrophobicContact CG2-CB 4.04Å; T46-L62 WeakPolarHBondContact O-CD1 3.49Å; T46-A64 HydrophobicContact CG2-CB 3.74Å
47R96.3Very high97.3Very high186 Ų18653.7 Ų53.770%0.70229%0.291SS*.Hα-helixtrans-74-44.6174.8-57.3171.8-64166.73.6110.4D45 G50 L51D45-R47 PolarHBondContact O-N 3.45Å; D45-R47 WeakPolarHBondContact OD1-CA 3.42Å; D45-R47 VanDerWaalsContact OD1-CB 3.22Å; D45-R47 WeakPolarHBondContact OD1-CB 3.48Å; D45-R47 PolarHBondContact OD1-N 3Å; D45-R47 IonicContact OD1-NE 3.43Å; D45-R47 PolarHBondContact OD1-NE 3.44Å; D45-R47 IonicContact OD1-NH2 2.78Å; D45-R47 IonicContact OD2-CZ 2.67Å; D45-R47 IonicContact OD2-NE 3.99Å; D45-R47 PolarHBondContact OD2-NE 3.44Å; D45-R47 IonicContact OD2-NH2 3.53Å; D45-R47 PolarHBondContact OD2-NH2 2.93Å; R47-G50 PolarHBondContact O-N 3.38Å; R47-L51 WeakPolarHBondContact O-CG 3.38Å; R47-L51 PolarHBondContact O-N 3.03Å
48H96.1Very high97.3Very high88 Ų8850.7 Ų50.741%0.40726%0.264SS..Hα-helixtrans-60.1-52.4176-172.298000110.2D45 G50 L51 L52 D92D45-H48 HydrophobicContact CB-CB 3.99Å; D45-H48 PolarHBondContact O-N 3.21Å; D45-H48 PolarHBondContact OD1-N 3.4Å; H48-G50 VanDerWaalsContact C-N 3.29Å; H48-G50 PolarHBondContact O-N 3.22Å; H48-L51 PolarHBondContact O-N 3.26Å; H48-L52 PolarHBondContact O-N 2.9Å; H48-D92 PolarHBondContact CD2-O 3.22Å; H48-D92 VanDerWaalsContact CD2-O 3.29Å; H48-D92 PolarHBondContact NE2-O 3.14Å
49T97.7Very high97.2Very high2 Ų257.9 Ų57.91%0.01230%0.302CS..Hα-helixtrans-61.1-38.4177.8-59.10000111.8I41 A43 D45 L51 L52 L53 L62 V90I41-T49 HydrophobicContact CG2-CG2 4.3Å; A43-T49 HydrophobicContact CB-CG2 4.11Å; A43-T49 WeakPolarHBondContact CB-OG1 3.44Å; D45-T49 PolarHBondContact O-N 3.34Å; D45-T49 PolarHBondContact O-OG1 3.26Å; T49-L51 VanDerWaalsContact C-N 3.32Å; T49-L51 PolarHBondContact O-N 2.92Å; T49-L52 WeakPolarHBondContact O-CB 3.37Å; T49-L52 PolarHBondContact O-N 3.03Å; T49-L53 HydrophobicContact CG2-CD1 4.09Å; T49-L53 HydrophobicContact CG2-CG 4.2Å; T49-L53 WeakPolarHBondContact O-CG 3.42Å; T49-L53 PolarHBondContact O-N 3.39Å; T49-L62 HydrophobicContact CG2-CD2 3.58Å; T49-V90 HydrophobicContact CG2-CG2 3.82Å
50G97.7Very high97Very high23 Ų2356 Ų5624%0.23730%0.295CS..Hα-helixtrans-58.7-39.6176.600000113.5T46 R47 H48 L53 Q54T46-G50 WeakPolarHBondContact O-CA 3.44Å; T46-G50 PolarHBondContact O-N 2.97Å; R47-G50 PolarHBondContact O-N 3.38Å; H48-G50 VanDerWaalsContact C-N 3.29Å; H48-G50 PolarHBondContact O-N 3.22Å; G50-L53 PolarHBondContact O-N 3.49Å; G50-Q54 WeakPolarHBondContact O-CB 3.22Å; G50-Q54 PolarHBondContact O-N 3.15Å
51L97.7Very high97Very high118 Ų11862.6 Ų62.662%0.61832%0.319SS*.Hα-helixtrans-66.2-41.1175.7-68.1170.2000111.9R47 H48 T49 Q54 H55R47-L51 WeakPolarHBondContact O-CG 3.38Å; R47-L51 PolarHBondContact O-N 3.03Å; H48-L51 PolarHBondContact O-N 3.26Å; T49-L51 VanDerWaalsContact C-N 3.32Å; T49-L51 PolarHBondContact O-N 2.92Å; L51-Q54 PolarHBondContact O-N 2.99Å; L51-H55 PolarHBondContact O-N 3.25Å
52L98Very high97Very high13 Ų1365.5 Ų65.57%0.06833%0.334CS..Hα-helixtrans-60.5-49.817517868000111.1T19 P20 L24 H48 T49 Q54 H55 F56T19-L52 HydrophobicContact CG2-CD2 3.73Å; P20-L52 HydrophobicContact CG-CD1 4.27Å; L24-L52 HydrophobicContact CD2-CD1 3.75Å; H48-L52 PolarHBondContact O-N 2.9Å; T49-L52 WeakPolarHBondContact O-CB 3.37Å; T49-L52 PolarHBondContact O-N 3.03Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-Q54 PolarHBondContact O-N 3.35Å; L52-H55 WeakPolarHBondContact O-CB 3.29Å; L52-H55 PolarHBondContact O-N 3.47Å; L52-F56 HydrophobicContact CD1-CD2 3.96Å; L52-F56 HydrophobicContact CD1-CE2 3.64Å; L52-F56 HydrophobicContact CG-CD2 4.42Å; L52-F56 WeakPolarHBondContact O-CD2 3.41Å; L52-F56 PolarHBondContact O-N 2.81Å
53L98.4Very high96.9Very high7 Ų767.8 Ų67.84%0.03734%0.344CS..Hα-helixtrans-62.8-40.9179.5-64.9177.3000111.7L35 I41 T49 G50 H55 F56 G57 I58 A60 L62L35-L53 HydrophobicContact CB-CD2 4.39Å; L35-L53 HydrophobicContact CD1-CD2 4.35Å; I41-L53 HydrophobicContact CD1-CD1 3.72Å; I41-L53 HydrophobicContact CD1-CD2 3.88Å; I41-L53 HydrophobicContact CD1-CG 4.45Å; T49-L53 HydrophobicContact CG2-CD1 4.09Å; T49-L53 HydrophobicContact CG2-CG 4.2Å; T49-L53 WeakPolarHBondContact O-CG 3.42Å; T49-L53 PolarHBondContact O-N 3.39Å; G50-L53 PolarHBondContact O-N 3.49Å; L53-H55 VanDerWaalsContact C-N 3.33Å; L53-H55 PolarHBondContact O-N 3.27Å; L53-F56 CarbonylContact O-C 3.48Å; L53-F56 PolarHBondContact O-N 2.81Å; L53-G57 PolarHBondContact O-N 3Å; L53-I58 HydrophobicContact CB-CB 4.24Å; L53-I58 HydrophobicContact CD2-CB 3.89Å; L53-I58 HydrophobicContact CD2-CD1 4.19Å; L53-I58 HydrophobicContact CD2-CG2 3.86Å; L53-I58 PolarHBondContact O-N 2.78Å; L53-A60 HydrophobicContact CD1-CB 4.34Å; L53-L62 HydrophobicContact CD1-CD1 4.37Å; L53-L62 HydrophobicContact CD1-CD2 3.94Å; L53-L62 HydrophobicContact CD1-CG 4.3Å
54Q98Very high96.9Very high147 Ų14769.2 Ų69.269%0.68736%0.356SS*.Hα-helixtrans-59.7-43175.1-178-177.4-10.700111.8G50 L51 L52 F56 G57G50-Q54 WeakPolarHBondContact O-CB 3.22Å; G50-Q54 PolarHBondContact O-N 3.15Å; L51-Q54 PolarHBondContact O-N 2.99Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-Q54 PolarHBondContact O-N 3.35Å; Q54-F56 VanDerWaalsContact C-N 3.26Å; Q54-F56 PolarHBondContact O-N 2.96Å; Q54-G57 PolarHBondContact O-N 2.93Å; Q54-G57 VanDerWaalsContact O-N 3.16Å
55H97.9Very high96.8Very high115 Ų11566.5 Ų66.553%0.53234%0.343SS..Hα-helixtrans-57.7-39.8177.6-179.186.5000112.1L24 L51 L52 L53L24-H55 HydrophobicContact CD1-CB 4.48Å; L24-H55 VanDerWaalsContact CD1-CE1 3.49Å; L24-H55 WeakPolarHBondContact CD1-CE1 3.32Å; L51-H55 PolarHBondContact O-N 3.25Å; L52-H55 WeakPolarHBondContact O-CB 3.29Å; L52-H55 PolarHBondContact O-N 3.47Å; L53-H55 VanDerWaalsContact C-N 3.33Å; L53-H55 PolarHBondContact O-N 3.27Å
56F98.1Very high96.2Very high57 Ų5768.8 Ų68.825%0.2535%0.352CS..THydrogen-bonded Turntrans-91.85.1179.7-70.2-69.7000114.5L24 I27 L32 L52 L53 Q54 I58L24-F56 HydrophobicContact CB-CZ 4.28Å; L24-F56 WeakPolarHBondContact O-CZ 3.38Å; I27-F56 HydrophobicContact CG2-CE1 4.04Å; I27-F56 HydrophobicContact CG2-CE2 3.83Å; I27-F56 HydrophobicContact CG2-CZ 3.46Å; I27-F56 VanDerWaalsContact CG2-CZ 3.46Å; L32-F56 HydrophobicContact CD1-CD1 4.13Å; L32-F56 HydrophobicContact CD1-CE1 4.23Å; L32-F56 HydrophobicContact CD2-CB 3.93Å; L32-F56 HydrophobicContact CD2-CD1 3.69Å; L32-F56 HydrophobicContact CD2-CD2 3.8Å; L32-F56 HydrophobicContact CD2-CE1 4.14Å; L32-F56 HydrophobicContact CD2-CE2 4.24Å; L32-F56 HydrophobicContact CD2-CG 3.51Å; L32-F56 HydrophobicContact CD2-CZ 4.41Å; L52-F56 HydrophobicContact CD1-CD2 3.96Å; L52-F56 HydrophobicContact CD1-CE2 3.64Å; L52-F56 HydrophobicContact CG-CD2 4.42Å; L52-F56 WeakPolarHBondContact O-CD2 3.41Å; L52-F56 PolarHBondContact O-N 2.81Å; L53-F56 CarbonylContact O-C 3.48Å; L53-F56 PolarHBondContact O-N 2.81Å; Q54-F56 VanDerWaalsContact C-N 3.26Å; Q54-F56 PolarHBondContact O-N 2.96Å; F56-I58 HydrophobicContact CB-CD1 3.97Å; F56-I58 HydrophobicContact CB-CG1 3.93Å; F56-I58 PolarHBondContact O-N 2.74Å
57G97.9Very high95.4Very high69 Ų6971.2 Ų71.271%0.71136%0.364SS*.THydrogen-bonded Turntrans64.825.8-179.100000114.1L53 Q54L53-G57 PolarHBondContact O-N 3Å; Q54-G57 PolarHBondContact O-N 2.93Å; Q54-G57 VanDerWaalsContact O-N 3.16Å
58I98.2Very high94.6Very high13 Ų1371.7 Ų71.77%0.06737%0.374CS..  trans-90121.4-179.1-56.2179.7000109.1L32 L35 Q36 L53 F56 A60L32-I58 HydrophobicContact CD2-CD1 3.98Å; L35-I58 HydrophobicContact CB-CD1 3.94Å; Q36-I58 HydrophobicContact CG-CB 4.37Å; Q36-I58 HydrophobicContact CG-CD1 3.88Å; Q36-I58 HydrophobicContact CG-CG1 3.68Å; Q36-I58 HydrophobicContact CG-CG2 4Å; L53-I58 HydrophobicContact CB-CB 4.24Å; L53-I58 HydrophobicContact CD2-CB 3.89Å; L53-I58 HydrophobicContact CD2-CD1 4.19Å; L53-I58 HydrophobicContact CD2-CG2 3.86Å; L53-I58 PolarHBondContact O-N 2.78Å; F56-I58 HydrophobicContact CB-CD1 3.97Å; F56-I58 HydrophobicContact CB-CG1 3.93Å; F56-I58 PolarHBondContact O-N 2.74Å; I58-A60 HydrophobicContact CG2-CB 4.26Å
59N96.1Very high93.7Very high164 Ų16470.2 Ų70.288%0.87737%0.369SS*.  trans-101.7106173-1732.7000109.6
60A95.9Very high93Very high22 Ų2270.9 Ų70.918%0.18237%0.372CS..  trans-138.7152.5-17800000111.1I41 L53 I58I41-A60 HydrophobicContact CD1-CB 3.41Å; I41-A60 VanDerWaalsContact CD1-CB 3.41Å; I41-A60 HydrophobicContact CG1-CB 4.1Å; L53-A60 HydrophobicContact CD1-CB 4.34Å; I58-A60 HydrophobicContact CG2-CB 4.26Å
61R97.7Very high92.5Very high152 Ų15275.9 Ų75.957%0.57439%0.389SS*.  trans-77.4131.4174.6-68-178.6-69.3-174-4.3109.4D39 L40 I41D39-R61 PolarHBondContact O-NE 3.06Å; D39-R61 PolarHBondContact O-NH2 2.99Å; L40-R61 HydrophobicContact CD1-CB 3.72Å; I41-R61 PolarHBondContact N-O 3.01Å
62L98Very high92.1Very high61 Ų6177 Ų7732%0.31939%0.391SS..EExtended strand (participates in β ladder)trans-102.7143.2178.9-70.5165.2000111.5I41 A43 T46 T49 L53I41-L62 HydrophobicContact CB-CD2 3.93Å; I41-L62 HydrophobicContact CG2-CD2 3.95Å; I41-L62 CarbonylContact O-C 3.59Å; I41-L62 WeakPolarHBondContact O-CA 3.28Å; A43-L62 HydrophobicContact CB-CD2 4.28Å; T46-L62 HydrophobicContact CG2-CB 4.04Å; T46-L62 WeakPolarHBondContact O-CD1 3.49Å; T49-L62 HydrophobicContact CG2-CD2 3.58Å; L53-L62 HydrophobicContact CD1-CD1 4.37Å; L53-L62 HydrophobicContact CD1-CD2 3.94Å; L53-L62 HydrophobicContact CD1-CG 4.3Å
63F96.8Very high91.8Very high48 Ų4877.7 Ų77.721%0.21139%0.394CS..EExtended strand (participates in β ladder)trans-130.3120.6174.1-173.5-82.3000108.8L40 I41 A42 A43 K73 T76 L77L40-F63 HydrophobicContact CD1-CB 4.06Å; L40-F63 HydrophobicContact CD2-CB 3.89Å; L40-F63 HydrophobicContact CD2-CD2 4.33Å; L40-F63 HydrophobicContact CD2-CG 4.29Å; L40-F63 HydrophobicContact CG-CB 4.01Å; I41-F63 PolarHBondContact O-N 3.34Å; A42-F63 CarbonylContact C-O 3.58Å; A42-F63 VanDerWaalsContact CA-O 3.28Å; A42-F63 WeakPolarHBondContact CA-O 3.39Å; A43-F63 PolarHBondContact N-O 3.23Å; F63-K73 HydrophobicContact CE1-CB 4.07Å; F63-K73 HydrophobicContact CE1-CD 4.01Å; F63-K73 HydrophobicContact CE1-CG 4.05Å; F63-K73 HydrophobicContact CZ-CG 4.28Å; F63-T76 HydrophobicContact CE2-CG2 4.2Å; F63-T76 HydrophobicContact CZ-CG2 4.13Å; F63-L77 HydrophobicContact CD1-CD1 4.25Å; F63-L77 HydrophobicContact CD1-CD2 3.86Å; F63-L77 HydrophobicContact CD1-CG 4.26Å; F63-L77 HydrophobicContact CD2-CD2 4.49Å; F63-L77 HydrophobicContact CE1-CD1 4.23Å; F63-L77 HydrophobicContact CE1-CD2 4.11Å; F63-L77 HydrophobicContact CE1-CG 4.09Å; F63-L77 HydrophobicContact CG-CD2 4.07Å
64A95.1Very high91.6Very high29 Ų2977.4 Ų77.424%0.2439%0.392CS..EExtended strand (participates in β ladder)trans-74.7129.6-178.900000110.8A43 T46 K73A43-A64 CarbonylContact O-C 3.52Å; A43-A64 WeakPolarHBondContact O-CA 3.45Å; T46-A64 HydrophobicContact CG2-CB 3.74Å; A64-K73 WeakPolarHBondContact O-CD 3.46Å; A64-K73 WeakPolarHBondContact O-CE 3.29Å; A64-K73 PolarHBondContact O-NZ 3.11Å
65L90.3Very high91.4Very high1 Ų177 Ų771%0.00539%0.39CS..  trans-123.6109.4174.6-176.169.9000108.5A43 E44 E70 K73 L77 L89 L105A43-L65 PolarHBondContact O-N 3.28Å; E44-L65 WeakPolarHBondContact CA-O 3.32Å; L65-E70 HydrophobicContact CD1-CG 4.19Å; L65-E70 HydrophobicContact CG-CG 4.47Å; L65-K73 HydrophobicContact CD1-CB 3.51Å; L65-K73 HydrophobicContact CD1-CD 3.99Å; L65-K73 HydrophobicContact CD1-CG 4.44Å; L65-L77 HydrophobicContact CD1-CD1 4.3Å; L65-L89 HydrophobicContact CD2-CD1 3.71Å; L65-L105 HydrophobicContact CD2-CD2 4.08Å
66H83.5Confident91.3Very high83 Ų8374.5 Ų74.538%0.38438%0.383SS..  trans-117.5152.1-178.7-52.7-55.4000109.5E44 H68 N69 E70E44-H66 PolarHBondContact O-CE1 2.8Å; E44-H66 PolarHBondContact O-ND1 2.83Å; H66-H68 VanDerWaalsContact C-N 3.32Å; H66-H68 PolarHBondContact O-N 2.97Å; H66-N69 PolarHBondContact O-N 3.19Å; H66-N69 PolarHBondContact O-OD1 2.88Å; H66-E70 PolarHBondContact O-N 3.34Å; H66-E70 VanDerWaalsContact O-N 3.15Å
67D79.1Confident91.3Very high98 Ų9871.8 Ų71.852%0.52437%0.371SS..G310 helixtrans-51.4-45.9-178.5-73.5-12.6000113.7N69 E70 P101D67-N69 PolarHBondContact O-N 2.91Å; D67-E70 PolarHBondContact O-N 2.94Å; D67-P101 WeakPolarHBondContact OD1-CA 3.38Å; D67-P101 WeakPolarHBondContact OD1-CB 3.29Å
68H77.6Confident91.2Very high195 Ų19569.7 Ų69.790%0.90334%0.343SS*.G310 helixtrans-62.2-18.7-173.8-64.2-50.4000114.7H66H66-H68 VanDerWaalsContact C-N 3.32Å; H66-H68 PolarHBondContact O-N 2.97Å
69N77.4Confident91.2Very high57 Ų5771 Ų7131%0.30536%0.356SS..G310 helixtrans-133.522.5179.957.314.8000113.3H66 D67 Q71 Q72 K73H66-N69 PolarHBondContact O-N 3.19Å; H66-N69 PolarHBondContact O-OD1 2.88Å; D67-N69 PolarHBondContact O-N 2.91Å; N69-Q71 VanDerWaalsContact C-N 3.29Å; N69-Q71 PolarHBondContact O-N 3.48Å; N69-Q72 PolarHBondContact O-N 3.27Å; N69-K73 WeakPolarHBondContact ND2-CE 3.47Å; N69-K73 PolarHBondContact ND2-NZ 3.37Å; N69-K73 PolarHBondContact O-N 3.18Å; N69-K73 VanDerWaalsContact O-N 3.13Å; N69-K73 WeakPolarHBondContact OD1-CD 3.27Å; N69-K73 WeakPolarHBondContact OD1-CE 3.36Å; N69-K73 PolarHBondContact OD1-NZ 3.33Å
70E82.8Confident91.3Very high17 Ų1766 Ų668%0.07933%0.327CS..Hα-helixtrans-56.9-41.5-173.2-162.7-168.4167.200112.2L65 H66 D67 K73 A74 G102 Y103 H104L65-E70 HydrophobicContact CD1-CG 4.19Å; L65-E70 HydrophobicContact CG-CG 4.47Å; H66-E70 PolarHBondContact O-N 3.34Å; H66-E70 VanDerWaalsContact O-N 3.15Å; D67-E70 PolarHBondContact O-N 2.94Å; E70-K73 PolarHBondContact O-N 3.41Å; E70-A74 WeakPolarHBondContact O-CB 3.4Å; E70-A74 PolarHBondContact O-N 2.9Å; E70-G102 WeakPolarHBondContact OE1-CA 3.41Å; E70-G102 PolarHBondContact OE1-N 3.38Å; E70-Y103 PolarHBondContact OE1-N 3.23Å; E70-H104 HydrophobicContact CG-CB 4.09Å; E70-H104 PolarHBondContact OE1-N 3.16Å; E70-H104 IonicContact OE2-CD2 3.88Å; E70-H104 PolarHBondContact OE2-CD2 3.41Å; E70-H104 VanDerWaalsContact OE2-CD2 3.25Å; E70-H104 IonicContact OE2-CG 3.66Å
71Q87.3Confident91.4Very high128 Ų12865 Ų6560%0.59832%0.318SS*.Hα-helixtrans-63.6-50.7-178.7-69.7-177.3-1.200113.2N69 K73 A74 E75N69-Q71 VanDerWaalsContact C-N 3.29Å; N69-Q71 PolarHBondContact O-N 3.48Å; Q71-K73 VanDerWaalsContact C-N 3.31Å; Q71-K73 PolarHBondContact O-N 3.05Å; Q71-A74 WeakPolarHBondContact O-CB 3.33Å; Q71-A74 PolarHBondContact O-N 3.46Å; Q71-E75 PolarHBondContact O-N 3.27Å
72Q89.1Confident91.4Very high140 Ų14062.2 Ų62.265%0.65431%0.312SS*.Hα-helixtrans-63.8-39.4-179.9-174.4-176.42200111.6N69 T76N69-Q72 PolarHBondContact O-N 3.27Å; Q72-T76 PolarHBondContact O-N 3.01Å; Q72-T76 PolarHBondContact O-OG1 3.17Å
73K92.3Very high91.3Very high29 Ų2965.9 Ų65.913%0.12633%0.327CS..Hα-helixtrans-70.6-34177-74.3-176.5173.9171.60112.2F63 A64 L65 N69 E70 Q71 E75 T76 L77F63-K73 HydrophobicContact CE1-CB 4.07Å; F63-K73 HydrophobicContact CE1-CD 4.01Å; F63-K73 HydrophobicContact CE1-CG 4.05Å; F63-K73 HydrophobicContact CZ-CG 4.28Å; A64-K73 WeakPolarHBondContact O-CD 3.46Å; A64-K73 WeakPolarHBondContact O-CE 3.29Å; A64-K73 PolarHBondContact O-NZ 3.11Å; L65-K73 HydrophobicContact CD1-CB 3.51Å; L65-K73 HydrophobicContact CD1-CD 3.99Å; L65-K73 HydrophobicContact CD1-CG 4.44Å; N69-K73 WeakPolarHBondContact ND2-CE 3.47Å; N69-K73 PolarHBondContact ND2-NZ 3.37Å; N69-K73 PolarHBondContact O-N 3.18Å; N69-K73 VanDerWaalsContact O-N 3.13Å; N69-K73 WeakPolarHBondContact OD1-CD 3.27Å; N69-K73 WeakPolarHBondContact OD1-CE 3.36Å; N69-K73 PolarHBondContact OD1-NZ 3.33Å; E70-K73 PolarHBondContact O-N 3.41Å; Q71-K73 VanDerWaalsContact C-N 3.31Å; Q71-K73 PolarHBondContact O-N 3.05Å; K73-E75 VanDerWaalsContact C-N 3.32Å; K73-E75 PolarHBondContact O-N 3.15Å; K73-T76 WeakPolarHBondContact O-CB 3.43Å; K73-T76 PolarHBondContact O-N 3.15Å; K73-L77 WeakPolarHBondContact O-CG 3.36Å; K73-L77 PolarHBondContact O-N 3.5Å
74A93.6Very high91.3Very high0 Ų065 Ų650%033%0.331CS..Hα-helixtrans-60.2-41.7175.400000111.8E70 Q71 T76 L77 L78 L105E70-A74 WeakPolarHBondContact O-CB 3.4Å; E70-A74 PolarHBondContact O-N 2.9Å; Q71-A74 WeakPolarHBondContact O-CB 3.33Å; Q71-A74 PolarHBondContact O-N 3.46Å; A74-T76 VanDerWaalsContact C-N 3.34Å; A74-T76 PolarHBondContact O-N 2.97Å; A74-L77 PolarHBondContact O-N 3.01Å; A74-L78 WeakPolarHBondContact O-CB 3.41Å; A74-L78 PolarHBondContact O-N 3.47Å; A74-L105 HydrophobicContact CB-CB 4.19Å; A74-L105 HydrophobicContact CB-CD1 4.22Å
75E94.3Very high91.5Very high139 Ų13965.4 Ų65.465%0.6533%0.328SS*.Hα-helixtrans-63.2-40.6174.5-67.3-179.217200112.1Q71 K73 L77 L78 A79Q71-E75 PolarHBondContact O-N 3.27Å; K73-E75 VanDerWaalsContact C-N 3.32Å; K73-E75 PolarHBondContact O-N 3.15Å; E75-L77 PolarHBondContact O-N 3.5Å; E75-L78 PolarHBondContact O-N 3.26Å; E75-A79 PolarHBondContact O-N 3.35Å
76T96Very high91.9Very high63 Ų6367.6 Ų67.639%0.38734%0.34SS..Hα-helixtrans-63.4-41.9177.6-580000111.7F63 Q72 K73 A74 K80F63-T76 HydrophobicContact CE2-CG2 4.2Å; F63-T76 HydrophobicContact CZ-CG2 4.13Å; Q72-T76 PolarHBondContact O-N 3.01Å; Q72-T76 PolarHBondContact O-OG1 3.17Å; K73-T76 WeakPolarHBondContact O-CB 3.43Å; K73-T76 PolarHBondContact O-N 3.15Å; A74-T76 VanDerWaalsContact C-N 3.34Å; A74-T76 PolarHBondContact O-N 2.97Å; T76-K80 PolarHBondContact O-N 3.16Å
77L97.5Very high92.6Very high0 Ų063.7 Ų63.70%032%0.322CS..Hα-helixtrans-71.3-38.3177-68.3170.4000111.6L40 A42 F63 L65 K73 A74 E75 A79 K80 L81 I87 L105L40-L77 HydrophobicContact CD2-CD2 3.81Å; A42-L77 HydrophobicContact CB-CD1 3.91Å; A42-L77 HydrophobicContact CB-CD2 4.42Å; F63-L77 HydrophobicContact CD1-CD1 4.25Å; F63-L77 HydrophobicContact CD1-CD2 3.86Å; F63-L77 HydrophobicContact CD1-CG 4.26Å; F63-L77 HydrophobicContact CD2-CD2 4.49Å; F63-L77 HydrophobicContact CE1-CD1 4.23Å; F63-L77 HydrophobicContact CE1-CD2 4.11Å; F63-L77 HydrophobicContact CE1-CG 4.09Å; F63-L77 HydrophobicContact CG-CD2 4.07Å; L65-L77 HydrophobicContact CD1-CD1 4.3Å; K73-L77 WeakPolarHBondContact O-CG 3.36Å; K73-L77 PolarHBondContact O-N 3.5Å; A74-L77 PolarHBondContact O-N 3.01Å; E75-L77 PolarHBondContact O-N 3.5Å; L77-A79 PolarHBondContact O-N 3.48Å; L77-K80 PolarHBondContact O-N 2.85Å; L77-L81 WeakPolarHBondContact O-CD1 3.41Å; L77-L81 WeakPolarHBondContact O-CG 3.47Å; L77-L81 PolarHBondContact O-N 2.94Å; L77-I87 HydrophobicContact CB-CD1 4.24Å; L77-I87 HydrophobicContact CD2-CD1 3.82Å; L77-I87 HydrophobicContact CD2-CG2 4.43Å; L77-L105 HydrophobicContact CB-CD1 3.81Å; L77-L105 HydrophobicContact CD1-CD1 4.06Å; L77-L105 HydrophobicContact CD1-CD2 3.72Å
78L97.2Very high93.5Very high24 Ų2459 Ų5913%0.12630%0.297CS..Hα-helixtrans-58.8-45.7175.1174.962.4000111.5A74 E75 K80 L81 Q82 T108 A112 I114A74-L78 WeakPolarHBondContact O-CB 3.41Å; A74-L78 PolarHBondContact O-N 3.47Å; E75-L78 PolarHBondContact O-N 3.26Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 3.37Å; L78-L81 WeakPolarHBondContact O-CB 3.32Å; L78-L81 PolarHBondContact O-N 2.8Å; L78-L81 VanDerWaalsContact O-N 3.15Å; L78-Q82 HydrophobicContact CD1-CG 4.13Å; L78-Q82 HydrophobicContact CG-CG 4.43Å; L78-Q82 WeakPolarHBondContact O-CG 3.28Å; L78-Q82 PolarHBondContact O-N 3.47Å; L78-T108 HydrophobicContact CB-CG2 4.36Å; L78-T108 HydrophobicContact CD2-CG2 3.64Å; L78-T108 HydrophobicContact CG-CG2 4.48Å; L78-A112 HydrophobicContact CD1-CB 3.66Å; L78-A112 HydrophobicContact CD2-CB 3.93Å; L78-A112 HydrophobicContact CG-CB 4.45Å; L78-I114 HydrophobicContact CD1-CD1 4.36Å; L78-I114 HydrophobicContact CD1-CG1 3.57Å
79A97.1Very high94.5Very high40 Ų4049.9 Ų49.933%0.33126%0.255SS..Hα-helixtrans-57.5-43.2177.900000111.6E75 L77 L81 Q82 E83E75-A79 PolarHBondContact O-N 3.35Å; L77-A79 PolarHBondContact O-N 3.48Å; A79-L81 PolarHBondContact O-N 2.96Å; A79-Q82 PolarHBondContact O-N 2.93Å; A79-E83 WeakPolarHBondContact O-CG 3.24Å; A79-E83 PolarHBondContact O-N 2.96Å
80K98Very high95.5Very high60 Ų6047.3 Ų47.326%0.26124%0.241SC..Hα-helixtrans-63.9-40.8176.1-66.8-179.6-176.5-56.90112.8L40 T76 L77 L78 Q82 E83 G84 Q85 I87L40-K80 HydrophobicContact CD2-CD 3.92Å; T76-K80 PolarHBondContact O-N 3.16Å; L77-K80 PolarHBondContact O-N 2.85Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 3.37Å; K80-Q82 VanDerWaalsContact C-N 3.34Å; K80-E83 WeakPolarHBondContact O-CB 3.44Å; K80-E83 PolarHBondContact O-N 3.38Å; K80-G84 PolarHBondContact O-N 3.28Å; K80-Q85 HydrophobicContact CB-CB 4.39Å; K80-Q85 WeakPolarHBondContact O-CB 3.36Å; K80-Q85 PolarHBondContact O-N 3.06Å; K80-Q85 VanDerWaalsContact O-N 3.07Å; K80-I87 HydrophobicContact CB-CD1 4.06Å
81L98.2Very high96.1Very high0 Ų046.6 Ų46.60%024%0.238CC..Hα-helixtrans-62.5-41.7175-75154.7000111.1G12 Q13 L14 L77 L78 A79 E83 G84 Q85 I87 I114G12-L81 PolarHBondContact N-O 3.02Å; Q13-L81 VanDerWaalsContact C-CD2 3.41Å; Q13-L81 WeakPolarHBondContact O-CD2 3.38Å; L14-L81 HydrophobicContact CB-CD1 4.31Å; L14-L81 HydrophobicContact CB-CD2 4.27Å; L77-L81 WeakPolarHBondContact O-CD1 3.41Å; L77-L81 WeakPolarHBondContact O-CG 3.47Å; L77-L81 PolarHBondContact O-N 2.94Å; L78-L81 WeakPolarHBondContact O-CB 3.32Å; L78-L81 PolarHBondContact O-N 2.8Å; L78-L81 VanDerWaalsContact O-N 3.15Å; A79-L81 PolarHBondContact O-N 2.96Å; L81-E83 VanDerWaalsContact C-N 3.26Å; L81-E83 PolarHBondContact O-N 2.88Å; L81-G84 PolarHBondContact O-N 3.16Å; L81-Q85 WeakPolarHBondContact CD2-O 3.5Å; L81-I87 HydrophobicContact CD1-CD1 4.15Å; L81-I87 HydrophobicContact CD2-CB 4.17Å; L81-I87 HydrophobicContact CD2-CD1 4.24Å; L81-I87 HydrophobicContact CD2-CG1 3.98Å; L81-I87 HydrophobicContact CG-CD1 3.73Å; L81-I87 HydrophobicContact CG-CG1 4.04Å; L81-I114 HydrophobicContact CB-CD1 4Å; L81-I114 HydrophobicContact CB-CG1 4.25Å; L81-I114 HydrophobicContact CB-CG2 4.25Å; L81-I114 HydrophobicContact CD1-CG2 4.23Å; L81-I114 HydrophobicContact CD2-CG2 4.1Å; L81-I114 HydrophobicContact CG-CG2 4.43Å
82Q97.4Very high96.5Very high95 Ų9542.4 Ų42.444%0.44422%0.219SC..Hα-helixtrans-66.1-27.8175.7-71175.1-30.900112.9L78 A79 K80 G84 I114L78-Q82 HydrophobicContact CD1-CG 4.13Å; L78-Q82 HydrophobicContact CG-CG 4.43Å; L78-Q82 WeakPolarHBondContact O-CG 3.28Å; L78-Q82 PolarHBondContact O-N 3.47Å; A79-Q82 PolarHBondContact O-N 2.93Å; K80-Q82 VanDerWaalsContact C-N 3.34Å; Q82-G84 PolarHBondContact O-N 3.48Å; Q82-I114 HydrophobicContact CG-CD1 4.11Å
83E97Very high96.8Very high138 Ų13837.4 Ų37.465%0.64520%0.202SC*.THydrogen-bonded Turntrans-76.7-0.4171.9-69.4167.7-176.900113.8A79 K80 L81 Q85A79-E83 WeakPolarHBondContact O-CG 3.24Å; A79-E83 PolarHBondContact O-N 2.96Å; K80-E83 WeakPolarHBondContact O-CB 3.44Å; K80-E83 PolarHBondContact O-N 3.38Å; L81-E83 VanDerWaalsContact C-N 3.26Å; L81-E83 PolarHBondContact O-N 2.88Å; E83-Q85 PolarHBondContact OE2-NE2 3.47Å
84G97.2Very high97.1Very high28 Ų2836.2 Ų36.229%0.28920%0.198SC..THydrogen-bonded Turntrans99-0.3177.700000115.3S10 K80 L81 Q82S10-G84 WeakPolarHBondContact O-CA 3.41Å; K80-G84 PolarHBondContact O-N 3.28Å; L81-G84 PolarHBondContact O-N 3.16Å; Q82-G84 PolarHBondContact O-N 3.48Å
85Q98.2Very high97.2Very high39 Ų3937.9 Ų37.918%0.18221%0.208CC..  trans-77.1130.8-178.4-65.3175.564.300111.4G12 D39 K80 L81 E83G12-Q85 WeakPolarHBondContact CA-O 3.42Å; D39-Q85 HydrophobicContact CB-CB 4.12Å; D39-Q85 HydrophobicContact CB-CG 4.4Å; D39-Q85 WeakPolarHBondContact OD2-CA 3.28Å; K80-Q85 HydrophobicContact CB-CB 4.39Å; K80-Q85 WeakPolarHBondContact O-CB 3.36Å; K80-Q85 PolarHBondContact O-N 3.06Å; K80-Q85 VanDerWaalsContact O-N 3.07Å; L81-Q85 WeakPolarHBondContact CD2-O 3.5Å; E83-Q85 PolarHBondContact OE2-NE2 3.47Å
86N98.5Very high97.3Very high47 Ų4731.4 Ų31.425%0.25118%0.178SC..  trans-81133.4171.5-65.7-60.8000110.3Q13 Y15 V38 D39 L40Q13-N86 PolarHBondContact N-OD1 3.25Å; Y15-N86 HydrophobicContact CE2-CB 4.14Å; V38-N86 HydrophobicContact CB-CB 4.44Å; V38-N86 HydrophobicContact CG1-CB 4.15Å; D39-N86 PolarHBondContact N-O 3.38Å; D39-N86 PolarHBondContact OD2-N 3.03Å; L40-N86 PolarHBondContact N-O 2.98Å
87I98.7Very high97.2Very high0 Ų030.9 Ų30.90%017%0.173CC..EExtended strand (participates in β ladder)trans-126131.6-177-54.7-173.3000109.5Q13 L14 Y15 L40 A42 L77 K80 L81Q13-I87 PolarHBondContact O-N 3.31Å; L14-I87 CarbonylContact C-O 3.43Å; L14-I87 WeakPolarHBondContact CA-O 3.3Å; L14-I87 HydrophobicContact CD1-CB 4.24Å; L14-I87 HydrophobicContact CD1-CG2 4.19Å; Y15-I87 PolarHBondContact N-O 2.88Å; L40-I87 HydrophobicContact CB-CG1 4.32Å; L40-I87 HydrophobicContact CD2-CD1 4.27Å; L40-I87 VanDerWaalsContact O-CA 3.29Å; L40-I87 WeakPolarHBondContact O-CA 3.34Å; A42-I87 HydrophobicContact CB-CG2 4.18Å; L77-I87 HydrophobicContact CB-CD1 4.24Å; L77-I87 HydrophobicContact CD2-CD1 3.82Å; L77-I87 HydrophobicContact CD2-CG2 4.43Å; K80-I87 HydrophobicContact CB-CD1 4.06Å; L81-I87 HydrophobicContact CD1-CD1 4.15Å; L81-I87 HydrophobicContact CD2-CB 4.17Å; L81-I87 HydrophobicContact CD2-CD1 4.24Å; L81-I87 HydrophobicContact CD2-CG1 3.98Å; L81-I87 HydrophobicContact CG-CD1 3.73Å; L81-I87 HydrophobicContact CG-CG1 4.04Å
88A98.7Very high97.1Very high0 Ų034 Ų340%019%0.189CC..EExtended strand (participates in β ladder)trans-94.7137.1165.100000110.1Y15 V17 L35 V38 L40 I41 A42Y15-A88 CarbonylContact O-C 3.52Å; Y15-A88 WeakPolarHBondContact O-CA 3.34Å; V17-A88 HydrophobicContact CG2-CB 3.82Å; L35-A88 HydrophobicContact CD2-CB 3.92Å; V38-A88 HydrophobicContact CB-CB 4.47Å; V38-A88 HydrophobicContact CG1-CB 4.12Å; V38-A88 HydrophobicContact CG2-CB 3.87Å; L40-A88 PolarHBondContact O-N 2.93Å; I41-A88 CarbonylContact C-O 3.55Å; I41-A88 WeakPolarHBondContact CA-O 3.39Å; I41-A88 HydrophobicContact CG1-CB 4.26Å; A42-A88 PolarHBondContact N-O 3.18Å
89L98.3Very high96.9Very high4 Ų436.4 Ų36.42%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-101.7129.9165.517666.9000108.7L14 Y15 I16 V17 A42 L65 P96 L97 L105L14-L89 HydrophobicContact CD1-CB 4.23Å; Y15-L89 PolarHBondContact O-N 2.98Å; I16-L89 HydrophobicContact CD1-CB 4.19Å; I16-L89 HydrophobicContact CD1-CD2 4.02Å; V17-L89 PolarHBondContact N-O 3.16Å; A42-L89 HydrophobicContact CB-CD1 4.13Å; A42-L89 WeakPolarHBondContact O-CA 3.43Å; L65-L89 HydrophobicContact CD2-CD1 3.71Å; L89-P96 HydrophobicContact CD2-CB 4.17Å; L89-P96 HydrophobicContact CG-CB 4.15Å; L89-P96 WeakPolarHBondContact O-CG 3.49Å; L89-L97 HydrophobicContact CD2-CD1 3.56Å; L89-L105 HydrophobicContact CD1-CD2 4.4Å; L89-L105 HydrophobicContact CD2-CD2 4.46Å
90V98Very high96.7Very high3 Ų336.6 Ų36.62%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-130.8149.8175.6-61.60000110.7V17 T19 L35 I41 A42 A43 T49V17-V90 HydrophobicContact CB-CG1 4Å; V17-V90 HydrophobicContact CG1-CG1 4.43Å; T19-V90 HydrophobicContact CG2-CB 3.89Å; T19-V90 HydrophobicContact CG2-CG1 4Å; L35-V90 HydrophobicContact CD2-CG1 3.87Å; I41-V90 HydrophobicContact CG2-CG1 4.24Å; I41-V90 HydrophobicContact CG2-CG2 3.71Å; A42-V90 PolarHBondContact O-N 3.27Å; A43-V90 HydrophobicContact CB-CG2 3.66Å; T49-V90 HydrophobicContact CG2-CG2 3.82Å
91S95.9Very high96.4Very high2 Ų234.2 Ų34.21%0.01419%0.188CC..  trans-100.6167163.7-61.20000109.6T19 A93 P96 D100T19-S91 PolarHBondContact OG1-O 3.29Å; S91-A93 PolarHBondContact O-N 2.76Å; S91-P96 VanDerWaalsContact OG-CA 3.28Å; S91-P96 WeakPolarHBondContact OG-CA 3.17Å; S91-D100 WeakPolarHBondContact CB-OD2 3.43Å; S91-D100 VanDerWaalsContact OG-CB 3.23Å; S91-D100 WeakPolarHBondContact OG-CB 3.18Å; S91-D100 PolarHBondContact OG-OD2 3.01Å
92D95.3Very high96.1Very high39 Ų3934.2 Ų34.221%0.20919%0.188CC..SBendtrans-57.8-38.1173.7-73-1.6000111.4D45 H48D45-D92 WeakPolarHBondContact CB-OD1 3.44Å; D45-D92 WeakPolarHBondContact CB-OD2 3.17Å; D45-D92 PolarHBondContact N-OD1 3.49Å; H48-D92 PolarHBondContact CD2-O 3.22Å; H48-D92 VanDerWaalsContact CD2-O 3.29Å; H48-D92 PolarHBondContact NE2-O 3.14Å
93A95.8Very high96Very high35 Ų3535.6 Ų35.629%0.28919%0.19SC..SBendtrans-145.513717700000112.7T19 P20 I21 S91T19-A93 WeakPolarHBondContact OG1-CA 3.45Å; P20-A93 WeakPolarHBondContact O-CA 3.5Å; I21-A93 HydrophobicContact CG2-CB 4.44Å; S91-A93 PolarHBondContact O-N 2.76Å
94G97.2Very high95.8Very high4 Ų432 Ų324%0.04117%0.173CC..BIsolated β-bridgetrans79.2-158.8172.200000114.4P18 T19 I21 P122P18-G94 CarbonylContact C-O 3.52Å; P18-G94 VanDerWaalsContact CA-O 3.32Å; P18-G94 WeakPolarHBondContact CA-O 3.43Å; T19-G94 PolarHBondContact N-O 3Å; T19-G94 WeakPolarHBondContact O-CA 3.49Å; T19-G94 PolarHBondContact O-N 3.17Å; T19-G94 PolarHBondContact OG1-N 3.01Å; T19-G94 PolarHBondContact OG1-O 3.29Å; I21-G94 VanDerWaalsContact CG2-CA 3.48Å; G94-P122 CarbonylContact C-O 3.56Å; G94-P122 WeakPolarHBondContact CA-O 3.18Å
95T97.3Very high95.8Very high35 Ų3530.7 Ų30.722%0.21516%0.159CC..SBendtrans-82.4124-176.4-630000110.3P18 I98 P122P18-T95 HydrophobicContact CG-CG2 4.17Å; T95-I98 HydrophobicContact CG2-CG1 4.41Å; T95-P122 PolarHBondContact N-O 3.31Å; T95-P122 PolarHBondContact OG1-O 3.46Å
96P96.4Very high95.7Very high4 Ų429.9 Ų29.93%0.02616%0.157CC..THydrogen-bonded Turntrans-55.7155.6179.8-25.532.7000114.4I16 L89 S91 I98I16-P96 HydrophobicContact CG2-CB 3.81Å; I16-P96 HydrophobicContact CG2-CG 3.9Å; L89-P96 HydrophobicContact CD2-CB 4.17Å; L89-P96 HydrophobicContact CG-CB 4.15Å; L89-P96 WeakPolarHBondContact O-CG 3.49Å; S91-P96 VanDerWaalsContact OG-CA 3.28Å; S91-P96 WeakPolarHBondContact OG-CA 3.17Å; P96-I98 PolarHBondContact O-N 2.74Å
97L94.3Very high95.6Very high51 Ų5133.4 Ų33.427%0.26717%0.167SC..THydrogen-bonded Turntrans72.4-6.1-176.7-62.678.2000116I16 L89 N99 D100 V106I16-L97 HydrophobicContact CD1-CD1 4.42Å; I16-L97 HydrophobicContact CG2-CD1 4.23Å; L89-L97 HydrophobicContact CD2-CD1 3.56Å; L97-N99 PolarHBondContact O-N 2.77Å; L97-D100 WeakPolarHBondContact CA-O 3.22Å; L97-V106 HydrophobicContact CD1-CG2 4.03Å; L97-V106 HydrophobicContact CD2-CB 3.96Å; L97-V106 HydrophobicContact CD2-CG1 4.47Å; L97-V106 HydrophobicContact CD2-CG2 3.68Å; L97-V106 HydrophobicContact CG-CG2 4.46Å
98I95Very high95.5Very high65 Ų6535.2 Ų35.233%0.33318%0.178SC..SBendtrans-92.192.5178.8-52.7-55.6000109.1T95 P96 D100 Y141T95-I98 HydrophobicContact CG2-CG1 4.41Å; P96-I98 PolarHBondContact O-N 2.74Å; I98-D100 PolarHBondContact O-N 3.2Å; I98-Y141 HydrophobicContact CG2-CE1 3.87Å; I98-Y141 HydrophobicContact CG2-CE2 4.49Å
99N93Very high95.4Very high75 Ų7535.2 Ų35.240%0.40118%0.178SC..SBendtrans62.318.7-167-84.7-14.9000114.6L97 Y141 G143 F144 Y169L97-N99 PolarHBondContact O-N 2.77Å; N99-Y141 PolarHBondContact ND2-OH 2.99Å; N99-G143 WeakPolarHBondContact ND2-CA 3.43Å; N99-F144 HydrophobicContact CB-CE2 4.33Å; N99-F144 WeakPolarHBondContact ND2-CD2 3.44Å; N99-Y169 HydrophobicContact CB-CD2 4.41Å; N99-Y169 HydrophobicContact CB-CE2 4.46Å
100D92.5Very high95.3Very high44 Ų4443.2 Ų43.224%0.23521%0.208CC..SBendtrans-125.1162.3-179.7-61.7-30.7000111.4S91 L97 I98S91-D100 WeakPolarHBondContact CB-OD2 3.43Å; S91-D100 VanDerWaalsContact OG-CB 3.23Å; S91-D100 WeakPolarHBondContact OG-CB 3.18Å; S91-D100 PolarHBondContact OG-OD2 3.01Å; L97-D100 WeakPolarHBondContact CA-O 3.22Å; I98-D100 PolarHBondContact O-N 3.2Å
101P90.6Very high95.2Very high10 Ų1049.4 Ų49.47%0.06524%0.237CC..SBendtrans-54.8160.7170.913.1-26.1000114.1E44 D67E44-P101 HydrophobicContact CB-CG 4.13Å; E44-P101 HydrophobicContact CG-CG 3.89Å; D67-P101 WeakPolarHBondContact OD1-CA 3.38Å; D67-P101 WeakPolarHBondContact OD1-CB 3.29Å
102G93.4Very high95.3Very high0 Ų051.1 Ų51.10%025%0.251CS..  trans123.6-9.5168.700000114.5E70 H104 L105 V106E70-G102 WeakPolarHBondContact OE1-CA 3.41Å; E70-G102 PolarHBondContact OE1-N 3.38Å; G102-H104 VanDerWaalsContact C-N 3.33Å; G102-H104 PolarHBondContact O-N 2.9Å; G102-L105 PolarHBondContact O-N 3.4Å; G102-V106 WeakPolarHBondContact O-CG2 3.49Å; G102-V106 PolarHBondContact O-N 3.44Å
103Y94.1Very high95.3Very high125 Ų12551.4 Ų51.449%0.4926%0.263SS..Hα-helixtrans-54.3-48.2177168.7-100.5000112E70 V106 R107E70-Y103 PolarHBondContact OE1-N 3.23Å; Y103-V106 PolarHBondContact O-N 2.91Å; Y103-R107 WeakPolarHBondContact O-CB 3.33Å; Y103-R107 PolarHBondContact O-N 3.41Å; Y103-R107 PolarHBondContact OH-NH1 3.45Å
104H93.8Very high95.4Very high62 Ų6250 Ų5029%0.28725%0.251SS..Hα-helixtrans-67.2-40.4-178.5-75.2-62.4000111.2E70 G102 R107 T108E70-H104 HydrophobicContact CG-CB 4.09Å; E70-H104 PolarHBondContact OE1-N 3.16Å; E70-H104 IonicContact OE2-CD2 3.88Å; E70-H104 PolarHBondContact OE2-CD2 3.41Å; E70-H104 VanDerWaalsContact OE2-CD2 3.25Å; E70-H104 IonicContact OE2-CG 3.66Å; G102-H104 VanDerWaalsContact C-N 3.33Å; G102-H104 PolarHBondContact O-N 2.9Å; H104-R107 PolarHBondContact O-N 2.91Å; H104-T108 VanDerWaalsContact O-CB 3.3Å; H104-T108 WeakPolarHBondContact O-CB 3.3Å; H104-T108 PolarHBondContact O-N 3.4Å; H104-T108 PolarHBondContact O-OG1 3.45Å
105L96Very high95.4Very high0 Ų056.5 Ų56.50%027%0.274CS..Hα-helixtrans-59.8-50.4175.6174.761.9000111.8L14 L65 A74 L77 L89 G102 R107 T108 C109L14-L105 HydrophobicContact CD1-CD2 4.05Å; L14-L105 HydrophobicContact CD2-CD2 4.17Å; L14-L105 HydrophobicContact CD2-CG 3.93Å; L65-L105 HydrophobicContact CD2-CD2 4.08Å; A74-L105 HydrophobicContact CB-CB 4.19Å; A74-L105 HydrophobicContact CB-CD1 4.22Å; L77-L105 HydrophobicContact CB-CD1 3.81Å; L77-L105 HydrophobicContact CD1-CD1 4.06Å; L77-L105 HydrophobicContact CD1-CD2 3.72Å; L89-L105 HydrophobicContact CD1-CD2 4.4Å; L89-L105 HydrophobicContact CD2-CD2 4.46Å; G102-L105 PolarHBondContact O-N 3.4Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.01Å; L105-T108 PolarHBondContact O-N 2.95Å; L105-C109 WeakPolarHBondContact O-CB 3.48Å; L105-C109 PolarHBondContact O-N 2.94Å; L105-C109 PolarHBondContact O-SG 3.17Å
106V97Very high95.4Very high23 Ų2356.2 Ų56.214%0.13927%0.272CS..Hα-helixtrans-61.6-44179.6169.10000110.8L14 I16 L97 G102 Y103 C109 R110 V116L14-V106 HydrophobicContact CD2-CG2 4.05Å; I16-V106 HydrophobicContact CD1-CG2 3.67Å; L97-V106 HydrophobicContact CD1-CG2 4.03Å; L97-V106 HydrophobicContact CD2-CB 3.96Å; L97-V106 HydrophobicContact CD2-CG1 4.47Å; L97-V106 HydrophobicContact CD2-CG2 3.68Å; L97-V106 HydrophobicContact CG-CG2 4.46Å; G102-V106 WeakPolarHBondContact O-CG2 3.49Å; G102-V106 PolarHBondContact O-N 3.44Å; Y103-V106 PolarHBondContact O-N 2.91Å; V106-C109 PolarHBondContact O-N 3.27Å; V106-R110 HydrophobicContact CG1-CG 4.41Å; V106-R110 WeakPolarHBondContact O-CB 3.44Å; V106-R110 VanDerWaalsContact O-CG 3.24Å; V106-R110 WeakPolarHBondContact O-CG 3.2Å; V106-R110 PolarHBondContact O-N 3.34Å; V106-V116 HydrophobicContact CG1-CG1 4.27Å; V106-V116 HydrophobicContact CG2-CG1 4.49Å
107R96.4Very high95.5Very high121 Ų12156.7 Ų56.746%0.45728%0.275SS..Hα-helixtrans-60-52.5177.6-180171.2-179.2165.5-3.5111.7Y103 H104 L105 C109 R110 E111Y103-R107 WeakPolarHBondContact O-CB 3.33Å; Y103-R107 PolarHBondContact O-N 3.41Å; Y103-R107 PolarHBondContact OH-NH1 3.45Å; H104-R107 PolarHBondContact O-N 2.91Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.01Å; R107-C109 VanDerWaalsContact C-N 3.32Å; R107-C109 PolarHBondContact O-N 3.49Å; R107-R110 PolarHBondContact O-N 3.45Å; R107-R110 VanDerWaalsContact O-N 3.15Å; R107-E111 HydrophobicContact CG-CG 4.42Å; R107-E111 WeakPolarHBondContact CG-OE1 3.46Å; R107-E111 IonicContact CZ-OE1 3.98Å; R107-E111 IonicContact NE-OE1 2.76Å; R107-E111 PolarHBondContact NE-OE1 3.41Å; R107-E111 IonicContact NH2-OE1 3.92Å; R107-E111 WeakPolarHBondContact O-CG 3.44Å; R107-E111 PolarHBondContact O-N 3.22Å
108T95.6Very high95.7Very high38 Ų3858.5 Ų58.523%0.23329%0.29CS..Hα-helixtrans-58.9-42.5179.2-65.80000111.6L78 H104 L105 R110 E111 A112L78-T108 HydrophobicContact CB-CG2 4.36Å; L78-T108 HydrophobicContact CD2-CG2 3.64Å; L78-T108 HydrophobicContact CG-CG2 4.48Å; H104-T108 VanDerWaalsContact O-CB 3.3Å; H104-T108 WeakPolarHBondContact O-CB 3.3Å; H104-T108 PolarHBondContact O-N 3.4Å; H104-T108 PolarHBondContact O-OG1 3.45Å; L105-T108 PolarHBondContact O-N 2.95Å; T108-R110 PolarHBondContact O-N 3.25Å; T108-E111 PolarHBondContact O-N 2.81Å; T108-A112 WeakPolarHBondContact O-CB 3.06Å; T108-A112 PolarHBondContact O-N 3.48Å
109C97Very high95.9Very high0 Ų055.9 Ų55.90%028%0.276CS..Hα-helixtrans-60.6-46.4174.6-71.70000112.2L14 L105 V106 R107 A112 G113 I114 V116L14-C109 HydrophobicContact CD2-CB 4.29Å; L105-C109 WeakPolarHBondContact O-CB 3.48Å; L105-C109 PolarHBondContact O-N 2.94Å; L105-C109 PolarHBondContact O-SG 3.17Å; V106-C109 PolarHBondContact O-N 3.27Å; R107-C109 VanDerWaalsContact C-N 3.32Å; R107-C109 PolarHBondContact O-N 3.49Å; C109-A112 CarbonylContact O-C 3.55Å; C109-A112 PolarHBondContact O-N 3.13Å; C109-G113 PolarHBondContact O-N 3Å; C109-G113 VanDerWaalsContact O-N 3.15Å; C109-I114 HydrophobicContact CB-CB 3.93Å; C109-I114 HydrophobicContact CB-CG2 4.19Å; C109-I114 WeakPolarHBondContact O-CB 3.13Å; C109-I114 PolarHBondContact O-N 2.67Å; C109-V116 HydrophobicContact CB-CG2 3.96Å
110R96.8Very high96.1Very high172 Ų17256.7 Ų56.765%0.64929%0.286SS*.Hα-helixtrans-65-40.2179.1-71-178.36872.15.9112.5V106 R107 T108 A112 G113 V116V106-R110 HydrophobicContact CG1-CG 4.41Å; V106-R110 WeakPolarHBondContact O-CB 3.44Å; V106-R110 VanDerWaalsContact O-CG 3.24Å; V106-R110 WeakPolarHBondContact O-CG 3.2Å; V106-R110 PolarHBondContact O-N 3.34Å; R107-R110 PolarHBondContact O-N 3.45Å; R107-R110 VanDerWaalsContact O-N 3.15Å; T108-R110 PolarHBondContact O-N 3.25Å; R110-A112 VanDerWaalsContact C-N 3.29Å; R110-A112 PolarHBondContact O-N 3.22Å; R110-G113 PolarHBondContact O-N 2.85Å; R110-V116 HydrophobicContact CG-CG2 3.85Å
111E96.9Very high96.3Very high132 Ų13256.2 Ų56.262%0.61729%0.291SS*.Hα-helixtrans-65.3-33.6176.5-72.8173.8-18000111.6R107 T108 G113R107-E111 HydrophobicContact CG-CG 4.42Å; R107-E111 WeakPolarHBondContact CG-OE1 3.46Å; R107-E111 IonicContact CZ-OE1 3.98Å; R107-E111 IonicContact NE-OE1 2.76Å; R107-E111 PolarHBondContact NE-OE1 3.41Å; R107-E111 IonicContact NH2-OE1 3.92Å; R107-E111 WeakPolarHBondContact O-CG 3.44Å; R107-E111 PolarHBondContact O-N 3.22Å; T108-E111 PolarHBondContact O-N 2.81Å; E111-G113 VanDerWaalsContact C-N 3.34Å
112A96.3Very high96.7Very high38 Ų3856.4 Ų56.431%0.31429%0.293SS..THydrogen-bonded Turntrans-84.30.3176.100000114.8L78 T108 C109 R110 I114L78-A112 HydrophobicContact CD1-CB 3.66Å; L78-A112 HydrophobicContact CD2-CB 3.93Å; L78-A112 HydrophobicContact CG-CB 4.45Å; T108-A112 WeakPolarHBondContact O-CB 3.06Å; T108-A112 PolarHBondContact O-N 3.48Å; C109-A112 CarbonylContact O-C 3.55Å; C109-A112 PolarHBondContact O-N 3.13Å; R110-A112 VanDerWaalsContact C-N 3.29Å; R110-A112 PolarHBondContact O-N 3.22Å; A112-I114 VanDerWaalsContact C-N 3.31Å; A112-I114 HydrophobicContact CB-CG1 4.48Å; A112-I114 PolarHBondContact O-N 3.39Å
113G96.1Very high96.9Very high45 Ų4557.6 Ų57.646%0.46430%0.3SS..THydrogen-bonded Turntrans78.86.9-179.300000115.3C109 R110 E111C109-G113 PolarHBondContact O-N 3Å; C109-G113 VanDerWaalsContact O-N 3.15Å; R110-G113 PolarHBondContact O-N 2.85Å; E111-G113 VanDerWaalsContact C-N 3.34Å
114I97.5Very high97.1Very high6 Ų652.6 Ų52.63%0.03129%0.285CS..PPolyproline II helixtrans-65.8134.8173.5-61.5-61000109.8Q11 L78 L81 Q82 C109 A112 V116Q11-I114 HydrophobicContact CB-CD1 4.1Å; Q11-I114 HydrophobicContact CG-CD1 4.43Å; L78-I114 HydrophobicContact CD1-CD1 4.36Å; L78-I114 HydrophobicContact CD1-CG1 3.57Å; L81-I114 HydrophobicContact CB-CD1 4Å; L81-I114 HydrophobicContact CB-CG1 4.25Å; L81-I114 HydrophobicContact CB-CG2 4.25Å; L81-I114 HydrophobicContact CD1-CG2 4.23Å; L81-I114 HydrophobicContact CD2-CG2 4.1Å; L81-I114 HydrophobicContact CG-CG2 4.43Å; Q82-I114 HydrophobicContact CG-CD1 4.11Å; C109-I114 HydrophobicContact CB-CB 3.93Å; C109-I114 HydrophobicContact CB-CG2 4.19Å; C109-I114 WeakPolarHBondContact O-CB 3.13Å; C109-I114 PolarHBondContact O-N 2.67Å; A112-I114 VanDerWaalsContact C-N 3.31Å; A112-I114 HydrophobicContact CB-CG1 4.48Å; A112-I114 PolarHBondContact O-N 3.39Å; I114-V116 PolarHBondContact O-N 2.8Å
115R97.4Very high97.3Very high141 Ų14149.8 Ų49.853%0.53227%0.273SS..PPolyproline II helixtrans-69.8119176.6-171.8-176.7-179.7-168.71.6110.1Q13 L14 V117Q13-R115 HydrophobicContact CG-CB 4.18Å; L14-R115 PolarHBondContact N-O 3.36Å; R115-V117 HydrophobicContact CG-CG2 3.86Å
116V98.2Very high97.4Very high28 Ų2853.8 Ų53.817%0.1729%0.293CS..EExtended strand (participates in β ladder)trans-99.8121.5171.2-176.70000109.2L14 I16 V106 C109 R110 I114L14-V116 HydrophobicContact CB-CG2 4.47Å; L14-V116 HydrophobicContact CD2-CG2 4.31Å; L14-V116 CarbonylContact O-C 3.52Å; L14-V116 WeakPolarHBondContact O-CA 3.1Å; I16-V116 HydrophobicContact CD1-CG1 4.02Å; I16-V116 HydrophobicContact CG1-CG1 3.83Å; V106-V116 HydrophobicContact CG1-CG1 4.27Å; V106-V116 HydrophobicContact CG2-CG1 4.49Å; C109-V116 HydrophobicContact CB-CG2 3.96Å; R110-V116 HydrophobicContact CG-CG2 3.85Å; I114-V116 PolarHBondContact O-N 2.8Å
117V98.2Very high97.5Very high14 Ų1455 Ų559%0.08530%0.3CS..EExtended strand (participates in β ladder)trans-115.5101.8-174.7-176.10000109.6L14 Y15 I16 R115 L119L14-V117 PolarHBondContact O-N 2.75Å; Y15-V117 WeakPolarHBondContact CA-O 3.23Å; Y15-V117 HydrophobicContact CD1-CB 3.75Å; Y15-V117 HydrophobicContact CD1-CG1 3.91Å; Y15-V117 HydrophobicContact CD1-CG2 4.39Å; Y15-V117 HydrophobicContact CE1-CB 4.02Å; Y15-V117 HydrophobicContact CE1-CG1 4.03Å; Y15-V117 HydrophobicContact CE1-CG2 4.22Å; Y15-V117 HydrophobicContact CG-CB 4.5Å; I16-V117 PolarHBondContact N-O 2.96Å; R115-V117 HydrophobicContact CG-CG2 3.86Å; V117-L119 HydrophobicContact CG1-CD1 4.39Å
118P98.2Very high97.6Very high90 Ų9049.2 Ų49.258%0.58428%0.279SS*.EExtended strand (participates in β ladder)trans-74.2142.2173.530.6-33.7000111.5
119L98.6Very high97.7Very high10 Ų1047.9 Ų47.95%0.05227%0.27CS..  trans-105.9142.5166.9-81.566.8000109.7Y15 I16 V17 P18 R30 A31 V34 V117Y15-L119 HydrophobicContact CD1-CD1 4.13Å; I16-L119 WeakPolarHBondContact O-CB 3.21Å; I16-L119 PolarHBondContact O-N 3.31Å; V17-L119 HydrophobicContact CG1-CD2 4.45Å; V17-L119 HydrophobicContact CG2-CD2 4.34Å; P18-L119 WeakPolarHBondContact CD-O 3.12Å; P18-L119 WeakPolarHBondContact CG-O 3.2Å; R30-L119 HydrophobicContact CB-CD2 4.46Å; R30-L119 HydrophobicContact CG-CD2 3.96Å; R30-L119 HydrophobicContact CG-CG 4.35Å; A31-L119 HydrophobicContact CB-CD2 4.1Å; V34-L119 HydrophobicContact CB-CD2 4.37Å; V34-L119 HydrophobicContact CG2-CD2 4.06Å; V117-L119 HydrophobicContact CG1-CD1 4.39Å
120P97.7Very high97.8Very high92 Ų9252.5 Ų52.560%0.59730%0.302SS*.  trans-70.6151.7166.631.9-34.2000110.3
121G97.3Very high97.8Very high34 Ų3446.9 Ų46.935%0.35129%0.293SS..  trans169.9-162.3176.700000113.3
122P97.9Very high97.9Very high14 Ų1441.1 Ų41.19%0.09127%0.268CS..  trans-60.1139.6-170.6-26.836.9000113.9T19 I21 D26 G94 T95T19-P122 WeakPolarHBondContact O-CB 3.23Å; T19-P122 WeakPolarHBondContact O-CG 3.46Å; I21-P122 HydrophobicContact CG1-CB 4.46Å; I21-P122 HydrophobicContact CG2-CB 4.12Å; D26-P122 HydrophobicContact CB-CG 3.91Å; D26-P122 VanDerWaalsContact O-CG 3.28Å; D26-P122 WeakPolarHBondContact O-CG 3.39Å; G94-P122 CarbonylContact C-O 3.56Å; G94-P122 WeakPolarHBondContact CA-O 3.18Å; T95-P122 PolarHBondContact N-O 3.31Å; T95-P122 PolarHBondContact OG1-O 3.46Å
123C97.6Very high98Very high24 Ų2443.1 Ų43.116%0.16229%0.292CS..  trans-151.5111.7175.41780000109.4A125 I126 T127C123-A125 VanDerWaalsContact C-N 3.3Å; C123-A125 PolarHBondContact O-N 3.4Å; C123-I126 HydrophobicContact CB-CB 4.26Å; C123-I126 HydrophobicContact CB-CG1 4.27Å; C123-I126 PolarHBondContact O-N 3.47Å; C123-I126 VanDerWaalsContact O-N 3.16Å; C123-T127 PolarHBondContact O-N 3.06Å; C123-T127 PolarHBondContact O-OG1 2.99Å; C123-T127 VanDerWaalsContact O-OG1 3.06Å
124A97.9Very high98.1Very high20 Ų2041.7 Ų41.717%0.16527%0.274CS..Hα-helixtrans-57.9-41-17400000112.8I21 I126 T127 A128 Y169 L198 V229I21-A124 HydrophobicContact CD1-CB 3.97Å; A124-I126 PolarHBondContact O-N 2.96Å; A124-T127 PolarHBondContact O-N 2.89Å; A124-A128 VanDerWaalsContact O-CB 3.26Å; A124-A128 WeakPolarHBondContact O-CB 3.37Å; A124-A128 PolarHBondContact O-N 2.67Å; A124-Y169 HydrophobicContact CB-CE1 4.16Å; A124-L198 HydrophobicContact CB-CD1 4.36Å; A124-L198 WeakPolarHBondContact O-CD1 3.4Å; A124-V229 HydrophobicContact CB-CG2 3.97Å
125A98.3Very high98.1Very high4 Ų444.8 Ų44.83%0.03329%0.294CS..Hα-helixtrans-56.8-48.5176.400000112.8C123 L129 Y141 I167 Y169C123-A125 VanDerWaalsContact C-N 3.3Å; C123-A125 PolarHBondContact O-N 3.4Å; A125-L129 WeakPolarHBondContact O-CB 3.4Å; A125-L129 PolarHBondContact O-N 3.34Å; A125-Y141 HydrophobicContact CB-CD2 4.09Å; A125-Y141 HydrophobicContact CB-CE2 4.05Å; A125-I167 HydrophobicContact CB-CG2 3.86Å; A125-Y169 HydrophobicContact CB-CE1 3.86Å; A125-Y169 PolarHBondContact N-OH 2.91Å
126I98.2Very high98.1Very high84 Ų8441.5 Ų41.543%0.43129%0.293SS..Hα-helixtrans-74-40-177.7-59.9-57.4000111.1C123 A124 A128 L129 S130 F139C123-I126 HydrophobicContact CB-CB 4.26Å; C123-I126 HydrophobicContact CB-CG1 4.27Å; C123-I126 PolarHBondContact O-N 3.47Å; C123-I126 VanDerWaalsContact O-N 3.16Å; A124-I126 PolarHBondContact O-N 2.96Å; I126-A128 PolarHBondContact O-N 2.93Å; I126-L129 PolarHBondContact O-N 3.29Å; I126-S130 WeakPolarHBondContact O-CB 3.34Å; I126-S130 PolarHBondContact O-N 3.42Å; I126-S130 PolarHBondContact O-OG 3.21Å; I126-F139 HydrophobicContact CD1-CE2 4.09Å; I126-F139 HydrophobicContact CD1-CZ 3.78Å
127T98.5Very high98.1Very high47 Ų4746.4 Ų46.429%0.28832%0.318SS..Hα-helixtrans-57.5-49.1173.7-58.40000110.6C123 A124 S130 A131 L198C123-T127 PolarHBondContact O-N 3.06Å; C123-T127 PolarHBondContact O-OG1 2.99Å; C123-T127 VanDerWaalsContact O-OG1 3.06Å; A124-T127 PolarHBondContact O-N 2.89Å; T127-S130 PolarHBondContact O-N 2.78Å; T127-S130 PolarHBondContact O-OG 3.28Å; T127-A131 PolarHBondContact O-N 2.78Å; T127-L198 HydrophobicContact CG2-CD1 4.44Å; T127-L198 HydrophobicContact CG2-CD2 4.34Å
128A98.7Very high98Very high0 Ų053 Ų530%034%0.341CS..Hα-helixtrans-59.3-51.4176.300000112.4A124 I126 S130 A131 A132 A195 L198 V229 I231A124-A128 VanDerWaalsContact O-CB 3.26Å; A124-A128 WeakPolarHBondContact O-CB 3.37Å; A124-A128 PolarHBondContact O-N 2.67Å; I126-A128 PolarHBondContact O-N 2.93Å; A128-S130 VanDerWaalsContact C-N 3.27Å; A128-S130 PolarHBondContact O-N 3.43Å; A128-A131 PolarHBondContact O-N 3.24Å; A128-A131 VanDerWaalsContact O-N 3.14Å; A128-A132 WeakPolarHBondContact O-CB 3.47Å; A128-A132 PolarHBondContact O-N 2.96Å; A128-A195 HydrophobicContact CB-CB 3.78Å; A128-L198 HydrophobicContact CB-CD1 3.88Å; A128-V229 HydrophobicContact CB-CB 3.76Å; A128-V229 HydrophobicContact CB-CG1 3.69Å; A128-V229 HydrophobicContact CB-CG2 4.18Å; A128-I231 HydrophobicContact CB-CD1 3.82Å; A128-I231 HydrophobicContact CB-CG1 4.05Å
129L98.7Very high98Very high10 Ų1052.4 Ų52.45%0.05233%0.33CS..Hα-helixtrans-57.2-42-179.2179.565.9000111.5A125 I126 A131 A132 F139 T165 I167 I231A125-L129 WeakPolarHBondContact O-CB 3.4Å; A125-L129 PolarHBondContact O-N 3.34Å; I126-L129 PolarHBondContact O-N 3.29Å; L129-A131 PolarHBondContact O-N 2.85Å; L129-A132 PolarHBondContact O-N 2.97Å; L129-F139 HydrophobicContact CD2-CB 4.36Å; L129-F139 HydrophobicContact CD2-CD1 3.58Å; L129-F139 HydrophobicContact CD2-CD2 4.38Å; L129-F139 HydrophobicContact CD2-CE1 3.87Å; L129-F139 HydrophobicContact CD2-CG 3.86Å; L129-F139 HydrophobicContact CD2-CZ 4.39Å; L129-T165 HydrophobicContact CD1-CG2 3.8Å; L129-I167 HydrophobicContact CB-CD1 4.06Å; L129-I167 HydrophobicContact CD1-CD1 4.37Å; L129-I167 HydrophobicContact CD2-CD1 4.08Å; L129-I167 HydrophobicContact CG-CD1 4.39Å; L129-I231 HydrophobicContact CB-CD1 4.41Å; L129-I231 HydrophobicContact CD1-CG2 3.96Å
130S98.2Very high98Very high97 Ų9752.3 Ų52.368%0.67833%0.33SS*.Hα-helixtrans-63.6-24.1-178.275.50000113.9I126 T127 A128I126-S130 WeakPolarHBondContact O-CB 3.34Å; I126-S130 PolarHBondContact O-N 3.42Å; I126-S130 PolarHBondContact O-OG 3.21Å; T127-S130 PolarHBondContact O-N 2.78Å; T127-S130 PolarHBondContact O-OG 3.28Å; A128-S130 VanDerWaalsContact C-N 3.27Å; A128-S130 PolarHBondContact O-N 3.43Å
131A98.3Very high98Very high54 Ų5451.5 Ų51.545%0.44632%0.315SS..Hα-helixtrans-104-6.4179.100000113.6T127 A128 L129 G133 I205T127-A131 PolarHBondContact O-N 2.78Å; A128-A131 PolarHBondContact O-N 3.24Å; A128-A131 VanDerWaalsContact O-N 3.14Å; L129-A131 PolarHBondContact O-N 2.85Å; A131-G133 PolarHBondContact O-N 2.87Å; A131-I205 HydrophobicContact CB-CD1 3.56Å
132A98.5Very high98Very high11 Ų1153.9 Ų53.99%0.09132%0.317CS..SBendtrans-74.9-19.4-17200000114.5A128 L129 L134 V193 I231A128-A132 WeakPolarHBondContact O-CB 3.47Å; A128-A132 PolarHBondContact O-N 2.96Å; L129-A132 PolarHBondContact O-N 2.97Å; A132-L134 HydrophobicContact CB-CB 4.47Å; A132-L134 PolarHBondContact O-N 3.28Å; A132-V193 HydrophobicContact CB-CB 4.17Å; A132-V193 HydrophobicContact CB-CG1 4.23Å; A132-V193 HydrophobicContact CB-CG2 4.04Å; A132-I231 HydrophobicContact CB-CB 4.08Å; A132-I231 HydrophobicContact CB-CG1 4.05Å; A132-I231 HydrophobicContact CB-CG2 4Å
133G98Very high98Very high80 Ų8053.3 Ų53.383%0.82531%0.314SS*.  trans67.317.4-174.700000114.2A131A131-G133 PolarHBondContact O-N 2.87Å
134L98.1Very high98Very high16 Ų1656.7 Ų56.78%0.08433%0.326CS..SBendtrans-102.4160.4175.7-69.3179000111.4A132 S136 T165 Y191 V193 I231 E233A132-L134 HydrophobicContact CB-CB 4.47Å; A132-L134 PolarHBondContact O-N 3.28Å; L134-S136 PolarHBondContact O-N 2.93Å; L134-T165 HydrophobicContact CB-CG2 4.3Å; L134-T165 HydrophobicContact CD1-CG2 4.45Å; L134-Y191 HydrophobicContact CD1-CD1 4.46Å; L134-Y191 HydrophobicContact CD2-CD1 3.91Å; L134-Y191 HydrophobicContact CD2-CE1 4.41Å; L134-V193 HydrophobicContact CD1-CG2 4.11Å; L134-V193 HydrophobicContact CG-CG2 4.43Å; L134-I231 HydrophobicContact CD1-CB 4.33Å; L134-I231 HydrophobicContact CD1-CG2 3.76Å; L134-E233 HydrophobicContact CD1-CB 4.2Å; L134-E233 HydrophobicContact CD2-CB 3.86Å; L134-E233 HydrophobicContact CD2-CG 3.9Å
135P97.7Very high97.9Very high70 Ų7056.1 Ų56.146%0.45532%0.32SS..  trans-53.6130.1176.3-2635.1000112T165P135-T165 VanDerWaalsContact O-CB 3.28Å; P135-T165 WeakPolarHBondContact O-CB 3.35Å; P135-T165 PolarHBondContact O-OG1 3.34Å
136S97.7Very high97.9Very high72 Ų7258.7 Ų58.750%0.50334%0.337SS..  trans-125.33-174.557.40000113.4L134 R138L134-S136 PolarHBondContact O-N 2.93Å; S136-R138 VanDerWaalsContact C-N 3.32Å
137D96.7Very high97.7Very high132 Ų13257.7 Ų57.771%0.70634%0.341SS*.SBendtrans-68.3-33.4173.964.4-56.1000111.8
138R97.4Very high97.6Very high151 Ų15163.6 Ų63.657%0.5736%0.363SS*.SBendtrans-143.3126.2174.7-60.4178.167-153.7-1.9110.2S136 R164 T165S136-R138 VanDerWaalsContact C-N 3.32Å; R138-R164 HydrophobicContact CB-CG 3.81Å; R138-T165 PolarHBondContact O-N 3.35Å
139F98.4Very high97.6Very high78 Ų7865.4 Ų65.434%0.34238%0.375SS..EExtended strand (participates in β ladder)trans-141.4165178.959.5-89000111.5I126 L129 T165 I167I126-F139 HydrophobicContact CD1-CE2 4.09Å; I126-F139 HydrophobicContact CD1-CZ 3.78Å; L129-F139 HydrophobicContact CD2-CB 4.36Å; L129-F139 HydrophobicContact CD2-CD1 3.58Å; L129-F139 HydrophobicContact CD2-CD2 4.38Å; L129-F139 HydrophobicContact CD2-CE1 3.87Å; L129-F139 HydrophobicContact CD2-CG 3.86Å; L129-F139 HydrophobicContact CD2-CZ 4.39Å; F139-T165 CarbonylContact C-O 3.5Å; F139-T165 WeakPolarHBondContact CA-O 3.39Å; F139-T165 VanDerWaalsContact CB-O 3.29Å; F139-T165 WeakPolarHBondContact CB-O 3.3Å; F139-I167 HydrophobicContact CB-CD1 4.47Å; F139-I167 HydrophobicContact CD2-CD1 3.78Å; F139-I167 HydrophobicContact CE2-CD1 4.35Å; F139-I167 HydrophobicContact CG-CD1 4.3Å
140C98Very high97.6Very high8 Ų871.8 Ų71.85%0.05440%0.402CS..EExtended strand (participates in β ladder)trans-117.7132.1172-560000109.2E142 R164 T165 L166 I167C140-E142 HydrophobicContact CB-CG 4.42Å; C140-E142 WeakPolarHBondContact CB-OE1 3.48Å; C140-R164 PolarHBondContact SG-NE 3.32Å; C140-R164 PolarHBondContact SG-NH1 2.92Å; C140-R164 VanDerWaalsContact SG-NH1 3.37Å; C140-R164 PolarHBondContact SG-NH2 3.5Å; C140-T165 PolarHBondContact N-O 3.42Å; C140-L166 HydrophobicContact CB-CD2 3.75Å; C140-L166 CarbonylContact O-C 3.54Å; C140-I167 PolarHBondContact O-N 2.72Å
141Y98.1Very high97.6Very high75 Ų7568.5 Ų68.529%0.29438%0.384SS..EExtended strand (participates in β ladder)trans-99.6117.3167.4178-106.4000109I98 N99 A125 I167 Y169I98-Y141 HydrophobicContact CG2-CE1 3.87Å; I98-Y141 HydrophobicContact CG2-CE2 4.49Å; N99-Y141 PolarHBondContact ND2-OH 2.99Å; A125-Y141 HydrophobicContact CB-CD2 4.09Å; A125-Y141 HydrophobicContact CB-CE2 4.05Å; Y141-I167 HydrophobicContact CD2-CB 4.26Å; Y141-I167 HydrophobicContact CD2-CG2 4.05Å; Y141-I167 HydrophobicContact CE2-CG2 4.49Å; Y141-Y169 HydrophobicContact CE2-CD1 4.28Å; Y141-Y169 AromaticContact CE2-CE1 3.96Å; Y141-Y169 HydrophobicContact CE2-CE1 3.96Å; Y141-Y169 HydrophobicContact CE2-CE2 4.21Å; Y141-Y169 AromaticContact CE2-CZ 3.92Å; Y141-Y169 WeakPolarHBondContact OH-CD2 3.15Å; Y141-Y169 WeakPolarHBondContact OH-CE2 3.24Å
142E97.6Very high97.6Very high84 Ų8466.2 Ų66.239%0.39336%0.364SS..EExtended strand (participates in β ladder)trans-108.60.9-174.7-64.1-60140.100112.4C140 F144 I159 I167 F168C140-E142 HydrophobicContact CB-CG 4.42Å; C140-E142 WeakPolarHBondContact CB-OE1 3.48Å; E142-F144 PolarHBondContact O-N 3.01Å; E142-I159 HydrophobicContact CG-CD1 4.28Å; E142-I167 PolarHBondContact N-O 2.85Å; E142-F168 HydrophobicContact CB-CD1 3.51Å; E142-F168 HydrophobicContact CB-CE1 3.24Å; E142-F168 HydrophobicContact CB-CG 4.44Å; E142-F168 HydrophobicContact CB-CZ 3.98Å; E142-F168 HydrophobicContact CG-CD1 4.37Å; E142-F168 HydrophobicContact CG-CE1 3.67Å; E142-F168 HydrophobicContact CG-CZ 3.93Å
143G96.9Very high97.6Very high2 Ų270.2 Ų70.22%0.02138%0.377CS..EExtended strand (participates in β ladder)trans60.9-130.9-178.900000112.5N99 F168 Y169N99-G143 WeakPolarHBondContact ND2-CA 3.43Å; G143-F168 CarbonylContact O-C 3.58Å; G143-F168 WeakPolarHBondContact O-CA 3.49Å; G143-Y169 PolarHBondContact O-N 2.82Å
144F97.1Very high97.6Very high95 Ų9570 Ų7042%0.41736%0.357SS..EExtended strand (participates in β ladder)trans-96.6136.5177.4-69.4-81.9000111.4N99 E142 Y169N99-F144 HydrophobicContact CB-CE2 4.33Å; N99-F144 WeakPolarHBondContact ND2-CD2 3.44Å; E142-F144 PolarHBondContact O-N 3.01Å; F144-Y169 VanDerWaalsContact CD1-C 3.48Å; F144-Y169 WeakPolarHBondContact CD1-O 3.33Å; F144-Y169 HydrophobicContact CE2-CD2 4.03Å; F144-Y169 VanDerWaalsContact CZ-CB 3.49Å; F144-Y169 HydrophobicContact CZ-CD2 4.1Å; F144-Y169 HydrophobicContact CZ-CG 4.3Å
145L96.9Very high97.6Very high8 Ų871 Ų714%0.04237%0.367CS..PPolyproline II helixtrans-64.6150.3169.8-73.9169.8000111.1A147 R152 A155 L156 F168L145-A147 PolarHBondContact O-N 3.4Å; L145-R152 HydrophobicContact CB-CG 3.95Å; L145-R152 HydrophobicContact CD1-CG 3.94Å; L145-R152 HydrophobicContact CD2-CG 4.37Å; L145-R152 HydrophobicContact CG-CG 4.31Å; L145-A155 HydrophobicContact CD2-CB 4.46Å; L145-L156 HydrophobicContact CD1-CD2 4.25Å; L145-L156 HydrophobicContact CD2-CD2 4.15Å; L145-L156 HydrophobicContact CD2-CG 4.19Å; L145-F168 HydrophobicContact CD1-CD1 4.26Å; L145-F168 HydrophobicContact CD1-CE1 4.48Å; L145-F168 HydrophobicContact CD2-CD1 3.86Å; L145-F168 HydrophobicContact CD2-CE1 3.58Å; L145-F168 HydrophobicContact CD2-CZ 4.46Å; L145-F168 HydrophobicContact CG-CD1 3.69Å; L145-F168 HydrophobicContact CG-CE1 3.95Å; L145-F168 HydrophobicContact CG-CG 4.43Å
146P97.3Very high97.6Very high58 Ų5867.7 Ų67.738%0.37735%0.346SS..PPolyproline II helixtrans-53.4138.1172.9-2734000112.1K148 R152 A155P146-K148 VanDerWaalsContact C-N 3.31Å; P146-K148 PolarHBondContact O-N 2.86Å; P146-R152 WeakPolarHBondContact O-CB 3.26Å; P146-R152 PolarHBondContact O-NH1 3.25Å; P146-A155 HydrophobicContact CG-CB 4.19Å
147A95.6Very high97.6Very high63 Ų6370 Ų7052%0.52135%0.347SS..SBendtrans-64.8-33.8-174.300000113.5L145 R152L145-A147 PolarHBondContact O-N 3.4Å; A147-R152 PolarHBondContact O-NH1 3.21Å
148K96.8Very high97.6Very high172 Ų17267.8 Ų67.875%0.74835%0.347SS*.SBendtrans-88.8133.8-178.2-65.1-176.9-179.3178.70110.7P146 K150 G151 R152P146-K148 VanDerWaalsContact C-N 3.31Å; P146-K148 PolarHBondContact O-N 2.86Å; K148-K150 VanDerWaalsContact C-N 3.33Å; K148-K150 PolarHBondContact O-N 3.37Å; K148-K150 VanDerWaalsContact O-N 3.16Å; K148-G151 PolarHBondContact O-N 3.25Å; K148-R152 PolarHBondContact O-N 3.02Å
149S97.4Very high97.6Very high38 Ų3861.9 Ų61.927%0.26633%0.326SS..Hα-helixtrans-51.8-41.7-175179.50000114.9G151 R152 R153 D181S149-G151 PolarHBondContact O-N 3.32Å; S149-R152 PolarHBondContact O-N 3.15Å; S149-R153 WeakPolarHBondContact O-CB 3.4Å; S149-R153 WeakPolarHBondContact O-CG 3.28Å; S149-R153 PolarHBondContact O-N 3.33Å; S149-R153 PolarHBondContact OG-NH1 2.81Å; S149-R153 PolarHBondContact OG-NH2 2.82Å; S149-D181 WeakPolarHBondContact CA-OD2 3.41Å; S149-D181 WeakPolarHBondContact CB-OD2 3.44Å; S149-D181 PolarHBondContact OG-OD1 2.88Å; S149-D181 PolarHBondContact OG-OD2 2.78Å
150K98.3Very high97.5Very high143 Ų14362.5 Ų62.562%0.62233%0.33SS*.Hα-helixtrans-57.2-52.6174.2178.3176.5168.952.20112K148 R152 R153 D154K148-K150 VanDerWaalsContact C-N 3.33Å; K148-K150 PolarHBondContact O-N 3.37Å; K148-K150 VanDerWaalsContact O-N 3.16Å; K150-R152 VanDerWaalsContact C-N 3.31Å; K150-R152 PolarHBondContact O-N 2.99Å; K150-R153 PolarHBondContact O-N 3.46Å; K150-D154 WeakPolarHBondContact CG-OD2 3.29Å; K150-D154 IonicContact NZ-OD2 3.61Å; K150-D154 PolarHBondContact NZ-OD2 2.81Å; K150-D154 VanDerWaalsContact NZ-OD2 3.11Å; K150-D154 WeakPolarHBondContact O-CB 3.38Å; K150-D154 PolarHBondContact O-N 2.65Å
151G98.2Very high97.2Very high29 Ų2965.4 Ų65.430%0.29936%0.355SS..Hα-helixtrans-63.9-37.9179.700000112.1K148 S149 D154 A155K148-G151 PolarHBondContact O-N 3.25Å; S149-G151 PolarHBondContact O-N 3.32Å; G151-D154 PolarHBondContact O-N 3.27Å; G151-A155 WeakPolarHBondContact O-CB 3.11Å; G151-A155 PolarHBondContact O-N 2.86Å
152R98.2Very high97.2Very high5 Ų563.5 Ų63.52%0.01935%0.349CS..Hα-helixtrans-62.3-49.2176.3-176.3160.556.4-111.8-2.5112.1L145 P146 A147 K148 S149 K150 A155 L156 D177 D181L145-R152 HydrophobicContact CB-CG 3.95Å; L145-R152 HydrophobicContact CD1-CG 3.94Å; L145-R152 HydrophobicContact CD2-CG 4.37Å; L145-R152 HydrophobicContact CG-CG 4.31Å; P146-R152 WeakPolarHBondContact O-CB 3.26Å; P146-R152 PolarHBondContact O-NH1 3.25Å; A147-R152 PolarHBondContact O-NH1 3.21Å; K148-R152 PolarHBondContact O-N 3.02Å; S149-R152 PolarHBondContact O-N 3.15Å; K150-R152 VanDerWaalsContact C-N 3.31Å; K150-R152 PolarHBondContact O-N 2.99Å; R152-A155 PolarHBondContact O-N 2.81Å; R152-L156 HydrophobicContact CG-CD1 4Å; R152-L156 WeakPolarHBondContact O-CG 3.47Å; R152-L156 PolarHBondContact O-N 2.91Å; R152-D177 PolarHBondContact NE-O 2.98Å; R152-D177 PolarHBondContact NH2-O 3.24Å; R152-D181 HydrophobicContact CG-CB 4.2Å; R152-D181 IonicContact CZ-OD2 2.73Å; R152-D181 IonicContact NE-OD2 2.73Å; R152-D181 PolarHBondContact NE-OD2 3.04Å; R152-D181 IonicContact NH2-OD2 3.12Å; R152-D181 PolarHBondContact NH2-OD2 3.25Å
153R98.5Very high97.1Very high95 Ų9563.7 Ų63.736%0.35836%0.357SS..Hα-helixtrans-65.1-39.2176.5-71.8-167.8-70.2-107.90.9112.6S149 K150 A155 L156 K157 D181 V185S149-R153 WeakPolarHBondContact O-CB 3.4Å; S149-R153 WeakPolarHBondContact O-CG 3.28Å; S149-R153 PolarHBondContact O-N 3.33Å; S149-R153 PolarHBondContact OG-NH1 2.81Å; S149-R153 PolarHBondContact OG-NH2 2.82Å; K150-R153 PolarHBondContact O-N 3.46Å; R153-A155 VanDerWaalsContact C-N 3.31Å; R153-A155 PolarHBondContact O-N 2.87Å; R153-L156 PolarHBondContact O-N 3.07Å; R153-K157 WeakPolarHBondContact O-CB 3.35Å; R153-K157 VanDerWaalsContact O-CG 3.25Å; R153-K157 WeakPolarHBondContact O-CG 3.49Å; R153-K157 PolarHBondContact O-N 2.83Å; R153-D181 VanDerWaalsContact CD-OD1 3.25Å; R153-D181 WeakPolarHBondContact CD-OD1 3.39Å; R153-D181 HydrophobicContact CG-CB 3.87Å; R153-D181 VanDerWaalsContact CG-OD1 3.23Å; R153-D181 WeakPolarHBondContact CG-OD1 3.21Å; R153-D181 IonicContact CZ-OD1 2.94Å; R153-D181 IonicContact NE-OD1 2.79Å; R153-D181 IonicContact NH1-OD1 3.87Å; R153-D181 PolarHBondContact NH1-OD1 3.4Å; R153-V185 HydrophobicContact CB-CG2 3.97Å; R153-V185 HydrophobicContact CG-CG2 3.78Å
154D98.3Very high97.2Very high77 Ų7767.5 Ų67.541%0.41237%0.371SS..Hα-helixtrans-63.5-40177-68.2-16.3000110.3K150 G151 A158K150-D154 WeakPolarHBondContact CG-OD2 3.29Å; K150-D154 IonicContact NZ-OD2 3.61Å; K150-D154 PolarHBondContact NZ-OD2 2.81Å; K150-D154 VanDerWaalsContact NZ-OD2 3.11Å; K150-D154 WeakPolarHBondContact O-CB 3.38Å; K150-D154 PolarHBondContact O-N 2.65Å; G151-D154 PolarHBondContact O-N 3.27Å; D154-A158 PolarHBondContact O-N 2.94Å
155A98.2Very high97.2Very high36 Ų3663 Ų6330%0.29835%0.351SS..Hα-helixtrans-65.3-46.517300000112.6L145 P146 G151 R152 R153 K157 A158L145-A155 HydrophobicContact CD2-CB 4.46Å; P146-A155 HydrophobicContact CG-CB 4.19Å; G151-A155 WeakPolarHBondContact O-CB 3.11Å; G151-A155 PolarHBondContact O-N 2.86Å; R152-A155 PolarHBondContact O-N 2.81Å; R153-A155 VanDerWaalsContact C-N 3.31Å; R153-A155 PolarHBondContact O-N 2.87Å; A155-K157 VanDerWaalsContact C-N 3.35Å; A155-K157 PolarHBondContact O-N 2.82Å; A155-A158 WeakPolarHBondContact O-CB 3.28Å; A155-A158 PolarHBondContact O-N 2.96Å
156L98.5Very high97.3Very high0 Ų062.7 Ų62.70%035%0.349CS..Hα-helixtrans-61.8-40.3177.6-72.6166.6000112.3L145 R152 R153 A158 I159 E160 D181 I182 V185 L186L145-L156 HydrophobicContact CD1-CD2 4.25Å; L145-L156 HydrophobicContact CD2-CD2 4.15Å; L145-L156 HydrophobicContact CD2-CG 4.19Å; R152-L156 HydrophobicContact CG-CD1 4Å; R152-L156 WeakPolarHBondContact O-CG 3.47Å; R152-L156 PolarHBondContact O-N 2.91Å; R153-L156 PolarHBondContact O-N 3.07Å; L156-A158 VanDerWaalsContact C-N 3.28Å; L156-A158 PolarHBondContact O-N 2.9Å; L156-I159 CarbonylContact O-C 3.48Å; L156-I159 WeakPolarHBondContact O-CG1 3.43Å; L156-I159 PolarHBondContact O-N 3.25Å; L156-E160 PolarHBondContact O-N 2.93Å; L156-D181 HydrophobicContact CD1-CB 4.05Å; L156-I182 HydrophobicContact CD1-CG1 4Å; L156-I182 HydrophobicContact CD2-CG1 3.94Å; L156-V185 HydrophobicContact CB-CB 4.05Å; L156-V185 HydrophobicContact CB-CG1 3.74Å; L156-V185 HydrophobicContact CB-CG2 4.33Å; L156-L186 HydrophobicContact CD2-CD1 4.35Å
157K97.5Very high97.4Very high121 Ų12159.9 Ų59.953%0.52633%0.331SS..Hα-helixtrans-62.6-35.4176.7-78.1176-179.6-176.90112.4R153 A155 I159 E160 V185R153-K157 WeakPolarHBondContact O-CB 3.35Å; R153-K157 VanDerWaalsContact O-CG 3.25Å; R153-K157 WeakPolarHBondContact O-CG 3.49Å; R153-K157 PolarHBondContact O-N 2.83Å; A155-K157 VanDerWaalsContact C-N 3.35Å; A155-K157 PolarHBondContact O-N 2.82Å; K157-I159 PolarHBondContact O-N 3.11Å; K157-E160 PolarHBondContact O-N 2.88Å; K157-V185 HydrophobicContact CB-CG1 4.33Å; K157-V185 HydrophobicContact CG-CG1 3.55Å; K157-V185 HydrophobicContact CG-CG2 4.38Å
158A97.3Very high97.5Very high85 Ų8557 Ų5770%0.70231%0.307SS*.Hα-helixtrans-65.1-21.6178.700000113.1D154 A155 L156D154-A158 PolarHBondContact O-N 2.94Å; A155-A158 WeakPolarHBondContact O-CB 3.28Å; A155-A158 PolarHBondContact O-N 2.96Å; L156-A158 VanDerWaalsContact C-N 3.28Å; L156-A158 PolarHBondContact O-N 2.9Å
159I96.3Very high97.6Very high27 Ų2750.3 Ų50.314%0.13828%0.277CS..THydrogen-bonded Turntrans-120.514.2-177.463.5-177.8000112.7E142 L156 K157 A161 E162 L166 F168E142-I159 HydrophobicContact CG-CD1 4.28Å; L156-I159 CarbonylContact O-C 3.48Å; L156-I159 WeakPolarHBondContact O-CG1 3.43Å; L156-I159 PolarHBondContact O-N 3.25Å; K157-I159 PolarHBondContact O-N 3.11Å; I159-A161 VanDerWaalsContact C-N 3.28Å; I159-A161 PolarHBondContact O-N 3.39Å; I159-E162 HydrophobicContact CB-CB 4.27Å; I159-E162 VanDerWaalsContact O-CB 3.23Å; I159-E162 WeakPolarHBondContact O-CB 2.99Å; I159-E162 PolarHBondContact O-N 2.98Å; I159-L166 HydrophobicContact CD1-CD1 4.06Å; I159-L166 HydrophobicContact CD1-CD2 4.38Å; I159-L166 HydrophobicContact CG1-CD1 4.36Å; I159-F168 HydrophobicContact CD1-CE1 4.18Å; I159-F168 HydrophobicContact CD1-CZ 3.7Å
160E95.9Very high97.6Very high92 Ų9248.7 Ų48.743%0.4327%0.266SS..THydrogen-bonded Turntrans-57.8-40.9-173.8-178.9-178.6172.500112.9L156 K157 L186 R190L156-E160 PolarHBondContact O-N 2.93Å; K157-E160 PolarHBondContact O-N 2.88Å; E160-L186 HydrophobicContact CB-CD2 4.05Å; E160-L186 HydrophobicContact CG-CD2 4.02Å; E160-R190 PolarHBondContact O-NH2 3.12Å
161A93.4Very high97.4Very high69 Ų6943.6 Ų43.657%0.5725%0.248SC*.THydrogen-bonded Turntrans-93.810.918000000113.7I159 P163I159-A161 VanDerWaalsContact C-N 3.28Å; I159-A161 PolarHBondContact O-N 3.39Å; A161-P163 WeakPolarHBondContact O-CD 3.15Å
162E96.6Very high97.2Very high35 Ų3544 Ų4416%0.16425%0.245CC..  trans-66.3117.6179.6175.253.9-112.400110.6I159 R164 L166 H235I159-E162 HydrophobicContact CB-CB 4.27Å; I159-E162 VanDerWaalsContact O-CB 3.23Å; I159-E162 WeakPolarHBondContact O-CB 2.99Å; I159-E162 PolarHBondContact O-N 2.98Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 VanDerWaalsContact CD-NE 3.28Å; E162-R164 HydrophobicContact CG-CB 4.18Å; E162-R164 PolarHBondContact O-N 3.24Å; E162-R164 WeakPolarHBondContact OE1-CB 3.45Å; E162-R164 WeakPolarHBondContact OE1-CG 3.47Å; E162-R164 IonicContact OE1-CZ 3.25Å; E162-R164 PolarHBondContact OE1-N 3.37Å; E162-R164 IonicContact OE1-NE 3.66Å; E162-R164 PolarHBondContact OE1-NE 2.78Å; E162-R164 IonicContact OE1-NH2 3.98Å; E162-R164 IonicContact OE2-CZ 2.85Å; E162-R164 IonicContact OE2-NE 3.42Å; E162-R164 PolarHBondContact OE2-NE 3.43Å; E162-R164 IonicContact OE2-NH2 3.93Å; E162-R164 PolarHBondContact OE2-NH2 2.93Å; E162-L166 HydrophobicContact CB-CD2 4.09Å; E162-L166 HydrophobicContact CG-CD2 3.56Å; E162-L166 HydrophobicContact CG-CG 4.46Å; E162-H235 WeakPolarHBondContact O-CB 3.32Å; E162-H235 PolarHBondContact O-N 2.7Å
163P95.9Very high97Very high88 Ų8852.1 Ų52.157%0.57128%0.282SS*.  trans-77-14.8-178.831.3-39.2000114.5A161 G234A161-P163 WeakPolarHBondContact O-CD 3.15Å; P163-G234 WeakPolarHBondContact O-CA 3.37Å
164R98.2Very high96.8Very high82 Ų8250.6 Ų50.631%0.30928%0.277SS..SBendtrans-78.7153.9177.2-65.6174.9-75.4162.82111.3R138 C140 E162 L166 G234R138-R164 HydrophobicContact CB-CG 3.81Å; C140-R164 PolarHBondContact SG-NE 3.32Å; C140-R164 PolarHBondContact SG-NH1 2.92Å; C140-R164 VanDerWaalsContact SG-NH1 3.37Å; C140-R164 PolarHBondContact SG-NH2 3.5Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 VanDerWaalsContact CD-NE 3.28Å; E162-R164 HydrophobicContact CG-CB 4.18Å; E162-R164 PolarHBondContact O-N 3.24Å; E162-R164 WeakPolarHBondContact OE1-CB 3.45Å; E162-R164 WeakPolarHBondContact OE1-CG 3.47Å; E162-R164 IonicContact OE1-CZ 3.25Å; E162-R164 PolarHBondContact OE1-N 3.37Å; E162-R164 IonicContact OE1-NE 3.66Å; E162-R164 PolarHBondContact OE1-NE 2.78Å; E162-R164 IonicContact OE1-NH2 3.98Å; E162-R164 IonicContact OE2-CZ 2.85Å; E162-R164 IonicContact OE2-NE 3.42Å; E162-R164 PolarHBondContact OE2-NE 3.43Å; E162-R164 IonicContact OE2-NH2 3.93Å; E162-R164 PolarHBondContact OE2-NH2 2.93Å; R164-L166 PolarHBondContact O-N 3.33Å; R164-G234 VanDerWaalsContact O-CA 3.24Å; R164-G234 WeakPolarHBondContact O-CA 3.3Å
165T98.6Very high96.8Very high1 Ų147 Ų471%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-61.8131.3169.6-63.50000109.9L129 L134 P135 R138 F139 C140 I231 V232L129-T165 HydrophobicContact CD1-CG2 3.8Å; L134-T165 HydrophobicContact CB-CG2 4.3Å; L134-T165 HydrophobicContact CD1-CG2 4.45Å; P135-T165 VanDerWaalsContact O-CB 3.28Å; P135-T165 WeakPolarHBondContact O-CB 3.35Å; P135-T165 PolarHBondContact O-OG1 3.34Å; R138-T165 PolarHBondContact O-N 3.35Å; F139-T165 CarbonylContact C-O 3.5Å; F139-T165 WeakPolarHBondContact CA-O 3.39Å; F139-T165 VanDerWaalsContact CB-O 3.29Å; F139-T165 WeakPolarHBondContact CB-O 3.3Å; C140-T165 PolarHBondContact N-O 3.42Å; T165-I231 HydrophobicContact CG2-CG2 3.32Å; T165-V232 WeakPolarHBondContact CA-O 3.4Å
166L98.7Very high96.8Very high0 Ų046.7 Ų46.70%025%0.25CS..EExtended strand (participates in β ladder)trans-102.8141.4-179.4-52.6164.7000110.2C140 I159 E162 R164 F168 I231 V232C140-L166 HydrophobicContact CB-CD2 3.75Å; C140-L166 CarbonylContact O-C 3.54Å; I159-L166 HydrophobicContact CD1-CD1 4.06Å; I159-L166 HydrophobicContact CD1-CD2 4.38Å; I159-L166 HydrophobicContact CG1-CD1 4.36Å; E162-L166 HydrophobicContact CB-CD2 4.09Å; E162-L166 HydrophobicContact CG-CD2 3.56Å; E162-L166 HydrophobicContact CG-CG 4.46Å; R164-L166 PolarHBondContact O-N 3.33Å; L166-F168 HydrophobicContact CB-CD2 4.49Å; L166-F168 HydrophobicContact CB-CE2 3.6Å; L166-F168 HydrophobicContact CB-CZ 4.04Å; L166-F168 HydrophobicContact CD1-CE2 4.31Å; L166-F168 HydrophobicContact CD1-CZ 4.33Å; L166-I231 CarbonylContact O-C 3.58Å; L166-I231 WeakPolarHBondContact O-CA 3.25Å; L166-V232 HydrophobicContact CB-CB 4.16Å; L166-V232 HydrophobicContact CD1-CG1 4.44Å; L166-V232 PolarHBondContact N-O 3.45Å; L166-V232 PolarHBondContact O-N 2.88Å
167I98.8Very high96.7Very high0 Ų050.4 Ų50.40%027%0.27CS..EExtended strand (participates in β ladder)trans-124.3125-179.6-54-179.4000109.7A125 L129 F139 C140 Y141 E142 V229 L230 I231A125-I167 HydrophobicContact CB-CG2 3.86Å; L129-I167 HydrophobicContact CB-CD1 4.06Å; L129-I167 HydrophobicContact CD1-CD1 4.37Å; L129-I167 HydrophobicContact CD2-CD1 4.08Å; L129-I167 HydrophobicContact CG-CD1 4.39Å; F139-I167 HydrophobicContact CB-CD1 4.47Å; F139-I167 HydrophobicContact CD2-CD1 3.78Å; F139-I167 HydrophobicContact CE2-CD1 4.35Å; F139-I167 HydrophobicContact CG-CD1 4.3Å; C140-I167 PolarHBondContact O-N 2.72Å; Y141-I167 HydrophobicContact CD2-CB 4.26Å; Y141-I167 HydrophobicContact CD2-CG2 4.05Å; Y141-I167 HydrophobicContact CE2-CG2 4.49Å; E142-I167 PolarHBondContact N-O 2.85Å; I167-V229 HydrophobicContact CG2-CG1 3.65Å; I167-L230 WeakPolarHBondContact CA-O 3.27Å; I167-I231 HydrophobicContact CB-CD1 4.17Å; I167-I231 HydrophobicContact CD1-CD1 4.12Å; I167-I231 HydrophobicContact CG1-CD1 3.72Å; I167-I231 HydrophobicContact CG2-CD1 3.75Å
168F98.6Very high96.8Very high1 Ų144.6 Ų44.60%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-124.3145.9174.6-52.6-91.7000110.6E142 G143 L145 I159 L166 V229 L230 V232E142-F168 HydrophobicContact CB-CD1 3.51Å; E142-F168 HydrophobicContact CB-CE1 3.24Å; E142-F168 HydrophobicContact CB-CG 4.44Å; E142-F168 HydrophobicContact CB-CZ 3.98Å; E142-F168 HydrophobicContact CG-CD1 4.37Å; E142-F168 HydrophobicContact CG-CE1 3.67Å; E142-F168 HydrophobicContact CG-CZ 3.93Å; G143-F168 CarbonylContact O-C 3.58Å; G143-F168 WeakPolarHBondContact O-CA 3.49Å; L145-F168 HydrophobicContact CD1-CD1 4.26Å; L145-F168 HydrophobicContact CD1-CE1 4.48Å; L145-F168 HydrophobicContact CD2-CD1 3.86Å; L145-F168 HydrophobicContact CD2-CE1 3.58Å; L145-F168 HydrophobicContact CD2-CZ 4.46Å; L145-F168 HydrophobicContact CG-CD1 3.69Å; L145-F168 HydrophobicContact CG-CE1 3.95Å; L145-F168 HydrophobicContact CG-CG 4.43Å; I159-F168 HydrophobicContact CD1-CE1 4.18Å; I159-F168 HydrophobicContact CD1-CZ 3.7Å; L166-F168 HydrophobicContact CB-CD2 4.49Å; L166-F168 HydrophobicContact CB-CE2 3.6Å; L166-F168 HydrophobicContact CB-CZ 4.04Å; L166-F168 HydrophobicContact CD1-CE2 4.31Å; L166-F168 HydrophobicContact CD1-CZ 4.33Å; F168-V229 CarbonylContact O-C 3.57Å; F168-V229 VanDerWaalsContact O-CA 3.3Å; F168-V229 WeakPolarHBondContact O-CA 3.47Å; F168-V229 WeakPolarHBondContact O-CG1 3.32Å; F168-L230 HydrophobicContact CB-CB 4.35Å; F168-L230 PolarHBondContact N-O 2.91Å; F168-L230 PolarHBondContact O-N 3.33Å; F168-V232 HydrophobicContact CD2-CG2 4.05Å; F168-V232 HydrophobicContact CE2-CG2 3.88Å
169Y98.2Very high96.8Very high33 Ų3340.6 Ų40.613%0.12921%0.212CC..EExtended strand (participates in β ladder)trans-88.5148.1159.9-67-13.9000109.4N99 A124 A125 Y141 G143 F144 M228 V229N99-Y169 HydrophobicContact CB-CD2 4.41Å; N99-Y169 HydrophobicContact CB-CE2 4.46Å; A124-Y169 HydrophobicContact CB-CE1 4.16Å; A125-Y169 HydrophobicContact CB-CE1 3.86Å; A125-Y169 PolarHBondContact N-OH 2.91Å; Y141-Y169 HydrophobicContact CE2-CD1 4.28Å; Y141-Y169 AromaticContact CE2-CE1 3.96Å; Y141-Y169 HydrophobicContact CE2-CE1 3.96Å; Y141-Y169 HydrophobicContact CE2-CE2 4.21Å; Y141-Y169 AromaticContact CE2-CZ 3.92Å; Y141-Y169 WeakPolarHBondContact OH-CD2 3.15Å; Y141-Y169 WeakPolarHBondContact OH-CE2 3.24Å; G143-Y169 PolarHBondContact O-N 2.82Å; F144-Y169 VanDerWaalsContact CD1-C 3.48Å; F144-Y169 WeakPolarHBondContact CD1-O 3.33Å; F144-Y169 HydrophobicContact CE2-CD2 4.03Å; F144-Y169 VanDerWaalsContact CZ-CB 3.49Å; F144-Y169 HydrophobicContact CZ-CD2 4.1Å; F144-Y169 HydrophobicContact CZ-CG 4.3Å; Y169-M228 WeakPolarHBondContact CA-O 3.42Å; Y169-V229 HydrophobicContact CD1-CB 4.43Å; Y169-V229 HydrophobicContact CD1-CG1 4.17Å; Y169-V229 HydrophobicContact CD1-CG2 3.83Å; Y169-V229 HydrophobicContact CE1-CG1 4.3Å; Y169-V229 HydrophobicContact CE1-CG2 3.82Å
170E97.1Very high96.9Very high4 Ų443 Ų432%0.01922%0.223CC..EExtended strand (participates in β ladder)trans-147.7154.2174.3-157.544.1-89.200113R174 L175 S178 M228 L230E170-R174 HydrophobicContact CG-CB 4.42Å; E170-R174 WeakPolarHBondContact OE1-CB 3.19Å; E170-R174 IonicContact OE1-CZ 3.13Å; E170-R174 VanDerWaalsContact OE1-CZ 3.23Å; E170-R174 IonicContact OE1-NE 2.68Å; E170-R174 PolarHBondContact OE1-NE 2.85Å; E170-R174 IonicContact OE1-NH2 3.33Å; E170-R174 PolarHBondContact OE1-NH2 3.27Å; E170-R174 IonicContact OE2-NE 2.85Å; E170-R174 IonicContact OE2-NH2 2.78Å; E170-L175 HydrophobicContact CG-CD1 4.46Å; E170-S178 PolarHBondContact OE2-OG 2.71Å; E170-M228 PolarHBondContact N-O 2.85Å; E170-M228 PolarHBondContact O-N 2.81Å; E170-L230 HydrophobicContact CB-CD1 4.36Å
171S93.7Very high97.1Very high36 Ų3639 Ų3925%0.25220%0.204SC..EExtended strand (participates in β ladder)trans-105.9157.2-177.765.10000112.2H173 R174 L175 M228S171-H173 PolarHBondContact O-N 2.8Å; S171-H173 VanDerWaalsContact O-N 3.11Å; S171-R174 PolarHBondContact O-N 2.68Å; S171-R174 PolarHBondContact OG-NE 2.76Å; S171-L175 PolarHBondContact O-N 2.87Å; S171-L175 VanDerWaalsContact O-N 3.1Å; S171-M228 WeakPolarHBondContact O-CE 3.33Å
172T95.3Very high97.3Very high38 Ų3835.8 Ų35.823%0.23318%0.177CC..THydrogen-bonded Turntrans-48.8-41.4179.4-63.10000113.6R174 R224 G226 M228T172-R174 VanDerWaalsContact C-N 3.34Å; T172-R174 PolarHBondContact O-N 2.81Å; T172-R224 WeakPolarHBondContact CA-O 3.41Å; T172-R224 VanDerWaalsContact CB-O 3.31Å; T172-R224 WeakPolarHBondContact CB-O 3.31Å; T172-R224 VanDerWaalsContact CG2-O 3.27Å; T172-R224 WeakPolarHBondContact CG2-O 3.39Å; T172-R224 PolarHBondContact OG1-O 3.18Å; T172-R224 VanDerWaalsContact OG1-O 3.11Å; T172-G226 PolarHBondContact OG1-N 3.42Å; T172-G226 PolarHBondContact OG1-O 2.68Å; T172-M228 VanDerWaalsContact N-CE 3.32Å
173H93.1Very high97.4Very high174 Ų17435.2 Ų35.281%0.80618%0.176SC*.THydrogen-bonded Turntrans-79.7-13.9-174.2-60.2-58.9000114.3S171S171-H173 PolarHBondContact O-N 2.8Å; S171-H173 VanDerWaalsContact O-N 3.11Å
174R95.1Very high97.5Very high64 Ų6434.5 Ų34.524%0.24218%0.178CC..THydrogen-bonded Turntrans-119.2-7.3-172.8-62-168.6-45.7-1500113.7E170 S171 T172 L176 D177 S178E170-R174 HydrophobicContact CG-CB 4.42Å; E170-R174 WeakPolarHBondContact OE1-CB 3.19Å; E170-R174 IonicContact OE1-CZ 3.13Å; E170-R174 VanDerWaalsContact OE1-CZ 3.23Å; E170-R174 IonicContact OE1-NE 2.68Å; E170-R174 PolarHBondContact OE1-NE 2.85Å; E170-R174 IonicContact OE1-NH2 3.33Å; E170-R174 PolarHBondContact OE1-NH2 3.27Å; E170-R174 IonicContact OE2-NE 2.85Å; E170-R174 IonicContact OE2-NH2 2.78Å; S171-R174 PolarHBondContact O-N 2.68Å; S171-R174 PolarHBondContact OG-NE 2.76Å; T172-R174 VanDerWaalsContact C-N 3.34Å; T172-R174 PolarHBondContact O-N 2.81Å; R174-L176 PolarHBondContact O-N 2.93Å; R174-D177 PolarHBondContact O-N 3.06Å; R174-S178 WeakPolarHBondContact O-CB 3.23Å; R174-S178 PolarHBondContact O-N 3.05Å; R174-S178 PolarHBondContact O-OG 2.83Å
175L97.6Very high97.5Very high0 Ų031.2 Ų31.20%017%0.167CC..Hα-helixtrans-56.8-51-176.9179.771.2000112.4E170 S171 D177 S178 L179 L194 V217 R224 M228 L230E170-L175 HydrophobicContact CG-CD1 4.46Å; S171-L175 PolarHBondContact O-N 2.87Å; S171-L175 VanDerWaalsContact O-N 3.1Å; L175-D177 PolarHBondContact O-N 3.11Å; L175-S178 PolarHBondContact O-N 3.1Å; L175-S178 VanDerWaalsContact O-N 3.15Å; L175-L179 HydrophobicContact CD1-CD1 4.09Å; L175-L179 HydrophobicContact CD1-CG 4.12Å; L175-L179 HydrophobicContact CD2-CD1 4.4Å; L175-L179 HydrophobicContact CG-CD1 3.94Å; L175-L179 HydrophobicContact CG-CG 4.3Å; L175-L179 WeakPolarHBondContact O-CG 3.47Å; L175-L179 PolarHBondContact O-N 3.38Å; L175-L194 HydrophobicContact CD1-CD1 4.08Å; L175-L194 HydrophobicContact CD2-CD2 4.11Å; L175-V217 HydrophobicContact CD2-CG1 3.65Å; L175-V217 HydrophobicContact CD2-CG2 4.24Å; L175-R224 HydrophobicContact CD2-CB 3.63Å; L175-M228 HydrophobicContact CB-CE 4.04Å; L175-M228 HydrophobicContact CB-SD 4.42Å; L175-M228 HydrophobicContact CD1-SD 4.15Å; L175-M228 HydrophobicContact CD2-CE 4.29Å; L175-M228 HydrophobicContact CD2-SD 3.61Å; L175-M228 HydrophobicContact CG-SD 4.26Å; L175-L230 HydrophobicContact CD1-CD1 4.28Å; L175-L230 HydrophobicContact CD1-CD2 4.05Å; L175-L230 HydrophobicContact CD1-CG 4.46Å
176L97.8Very high97.4Very high30 Ų3031.8 Ų31.816%0.15717%0.17CC..Hα-helixtrans-60.3-50.2-177.5-73.2-172.9000111.5R174 S178 L179 E180 L214 V217 K218R174-L176 PolarHBondContact O-N 2.93Å; L176-S178 PolarHBondContact O-N 2.87Å; L176-L179 PolarHBondContact O-N 3.43Å; L176-E180 WeakPolarHBondContact O-CB 3.47Å; L176-E180 WeakPolarHBondContact O-CG 3.36Å; L176-E180 PolarHBondContact O-N 3.4Å; L176-L214 HydrophobicContact CD2-CD1 4.01Å; L176-V217 HydrophobicContact CD2-CB 4.31Å; L176-V217 HydrophobicContact CD2-CG1 3.64Å; L176-K218 HydrophobicContact CD1-CG 4.42Å; L176-K218 HydrophobicContact CD2-CG 3.76Å
177D97.9Very high97.3Very high78 Ų7833.1 Ų33.142%0.41718%0.184SC..Hα-helixtrans-58.9-32.7177.7-65.34.1000112.4R152 R174 L175 D181R152-D177 PolarHBondContact NE-O 2.98Å; R152-D177 PolarHBondContact NH2-O 3.24Å; R174-D177 PolarHBondContact O-N 3.06Å; L175-D177 PolarHBondContact O-N 3.11Å; D177-D181 PolarHBondContact O-N 3.45Å; D177-D181 VanDerWaalsContact O-N 3.13Å
178S98.2Very high97.3Very high0 Ų039.6 Ų39.60%021%0.214CC..Hα-helixtrans-75.3-45.4178.6-57.80000111.7E170 R174 L175 L176 E180 D181 I182E170-S178 PolarHBondContact OE2-OG 2.71Å; R174-S178 WeakPolarHBondContact O-CB 3.23Å; R174-S178 PolarHBondContact O-N 3.05Å; R174-S178 PolarHBondContact O-OG 2.83Å; L175-S178 PolarHBondContact O-N 3.1Å; L175-S178 VanDerWaalsContact O-N 3.15Å; L176-S178 PolarHBondContact O-N 2.87Å; S178-E180 VanDerWaalsContact C-N 3.32Å; S178-E180 PolarHBondContact O-N 3.33Å; S178-D181 PolarHBondContact O-N 3.35Å; S178-I182 WeakPolarHBondContact O-CB 3.1Å; S178-I182 WeakPolarHBondContact O-CG1 3.21Å; S178-I182 PolarHBondContact O-N 3.22Å
179L98.6Very high97.2Very high0 Ų044.6 Ų44.60%025%0.249CC..Hα-helixtrans-62.3-39.3174.3-68.6177.3000111.6L175 L176 I182 V183 V210 L213 L214 V217 L230L175-L179 HydrophobicContact CD1-CD1 4.09Å; L175-L179 HydrophobicContact CD1-CG 4.12Å; L175-L179 HydrophobicContact CD2-CD1 4.4Å; L175-L179 HydrophobicContact CG-CD1 3.94Å; L175-L179 HydrophobicContact CG-CG 4.3Å; L175-L179 WeakPolarHBondContact O-CG 3.47Å; L175-L179 PolarHBondContact O-N 3.38Å; L176-L179 PolarHBondContact O-N 3.43Å; L179-I182 PolarHBondContact O-N 3.5Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.41Å; L179-V210 HydrophobicContact CD2-CG2 4.04Å; L179-L213 HydrophobicContact CD1-CG 4.5Å; L179-L213 HydrophobicContact CD2-CD2 3.96Å; L179-L214 HydrophobicContact CB-CB 4.32Å; L179-L214 HydrophobicContact CB-CD1 3.83Å; L179-L214 HydrophobicContact CD1-CD1 4.44Å; L179-V217 HydrophobicContact CD1-CB 4.28Å; L179-V217 HydrophobicContact CD1-CG2 3.92Å; L179-L230 HydrophobicContact CD2-CD1 4.37Å; L179-L230 HydrophobicContact CD2-CD2 4.17Å
180E98.5Very high97.2Very high79 Ų7944 Ų4437%0.36925%0.246SC..Hα-helixtrans-61.6-45.1174.5-76.4176.8-18000112.3L176 S178 V183 A184 L214 K218L176-E180 WeakPolarHBondContact O-CB 3.47Å; L176-E180 WeakPolarHBondContact O-CG 3.36Å; L176-E180 PolarHBondContact O-N 3.4Å; S178-E180 VanDerWaalsContact C-N 3.32Å; S178-E180 PolarHBondContact O-N 3.33Å; E180-V183 PolarHBondContact O-N 2.84Å; E180-A184 WeakPolarHBondContact O-CB 3.45Å; E180-A184 PolarHBondContact O-N 3.31Å; E180-L214 HydrophobicContact CG-CD1 3.98Å; E180-L214 HydrophobicContact CG-CD2 3.68Å; E180-L214 HydrophobicContact CG-CG 4.49Å; E180-K218 WeakPolarHBondContact OE1-CE 3.3Å; E180-K218 IonicContact OE1-NZ 3.23Å; E180-K218 PolarHBondContact OE1-NZ 3.32Å
181D98.6Very high97.3Very high8 Ų847.6 Ų47.64%0.04326%0.26CS..Hα-helixtrans-73-30.1177.3-79-37.7000112.4S149 R152 R153 L156 D177 S178 A184 V185S149-D181 WeakPolarHBondContact CA-OD2 3.41Å; S149-D181 WeakPolarHBondContact CB-OD2 3.44Å; S149-D181 PolarHBondContact OG-OD1 2.88Å; S149-D181 PolarHBondContact OG-OD2 2.78Å; R152-D181 HydrophobicContact CG-CB 4.2Å; R152-D181 IonicContact CZ-OD2 2.73Å; R152-D181 IonicContact NE-OD2 2.73Å; R152-D181 PolarHBondContact NE-OD2 3.04Å; R152-D181 IonicContact NH2-OD2 3.12Å; R152-D181 PolarHBondContact NH2-OD2 3.25Å; R153-D181 VanDerWaalsContact CD-OD1 3.25Å; R153-D181 WeakPolarHBondContact CD-OD1 3.39Å; R153-D181 HydrophobicContact CG-CB 3.87Å; R153-D181 VanDerWaalsContact CG-OD1 3.23Å; R153-D181 WeakPolarHBondContact CG-OD1 3.21Å; R153-D181 IonicContact CZ-OD1 2.94Å; R153-D181 IonicContact NE-OD1 2.79Å; R153-D181 IonicContact NH1-OD1 3.87Å; R153-D181 PolarHBondContact NH1-OD1 3.4Å; L156-D181 HydrophobicContact CD1-CB 4.05Å; D177-D181 PolarHBondContact O-N 3.45Å; D177-D181 VanDerWaalsContact O-N 3.13Å; S178-D181 PolarHBondContact O-N 3.35Å; D181-A184 PolarHBondContact O-N 3.07Å; D181-V185 WeakPolarHBondContact O-CB 3.21Å; D181-V185 WeakPolarHBondContact O-CG2 3.42Å; D181-V185 PolarHBondContact O-N 3.47Å
182I98.5Very high97.5Very high0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-65-46.5171.4-70.1164.4000110.1L156 S178 L179 A184 V185 L186 V192 V210 L230L156-I182 HydrophobicContact CD1-CG1 4Å; L156-I182 HydrophobicContact CD2-CG1 3.94Å; S178-I182 WeakPolarHBondContact O-CB 3.1Å; S178-I182 WeakPolarHBondContact O-CG1 3.21Å; S178-I182 PolarHBondContact O-N 3.22Å; L179-I182 PolarHBondContact O-N 3.5Å; I182-A184 VanDerWaalsContact C-N 3.32Å; I182-A184 PolarHBondContact O-N 2.97Å; I182-V185 PolarHBondContact O-N 3.15Å; I182-L186 HydrophobicContact CG2-CB 4.29Å; I182-L186 HydrophobicContact CG2-CD1 3.98Å; I182-L186 HydrophobicContact CG2-CG 4.25Å; I182-L186 WeakPolarHBondContact O-CA 3.34Å; I182-L186 WeakPolarHBondContact O-CB 3.1Å; I182-L186 PolarHBondContact O-N 3.41Å; I182-V192 HydrophobicContact CG2-CG2 4.49Å; I182-V210 HydrophobicContact CB-CG2 4.25Å; I182-V210 HydrophobicContact CG2-CB 4.34Å; I182-V210 HydrophobicContact CG2-CG1 4.23Å; I182-V210 HydrophobicContact CG2-CG2 3.76Å; I182-L230 HydrophobicContact CD1-CD1 4.08Å
183V98.5Very high97.7Very high23 Ų2344.2 Ų44.214%0.13924%0.238CC..Hα-helixtrans-54.3-50.4172.81630000110.4L179 E180 V185 G187 E188 V210 L214L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.41Å; E180-V183 PolarHBondContact O-N 2.84Å; V183-V185 VanDerWaalsContact C-N 3.28Å; V183-V185 PolarHBondContact O-N 2.77Å; V183-G187 CarbonylContact O-C 3.59Å; V183-G187 VanDerWaalsContact O-CA 3.31Å; V183-G187 WeakPolarHBondContact O-CA 3.27Å; V183-G187 PolarHBondContact O-N 2.81Å; V183-G187 VanDerWaalsContact O-N 3.12Å; V183-E188 HydrophobicContact CG1-CG 3.52Å; V183-V210 HydrophobicContact CG2-CB 4.33Å; V183-V210 HydrophobicContact CG2-CG1 3.74Å; V183-V210 HydrophobicContact CG2-CG2 4.03Å; V183-L214 HydrophobicContact CG2-CD2 4.12Å
184A98.2Very high98Very high73 Ų7336.1 Ų36.160%0.60320%0.201SC*.Hα-helixtrans-66.8-26.6-174.200000114E180 D181 I182E180-A184 WeakPolarHBondContact O-CB 3.45Å; E180-A184 PolarHBondContact O-N 3.31Å; D181-A184 PolarHBondContact O-N 3.07Å; I182-A184 VanDerWaalsContact C-N 3.32Å; I182-A184 PolarHBondContact O-N 2.97Å
185V98Very high98.1Very high13 Ų1333.1 Ų33.18%0.07919%0.19CC..Hα-helixtrans-106.9-43-1751790000112.7R153 L156 K157 D181 I182 V183R153-V185 HydrophobicContact CB-CG2 3.97Å; R153-V185 HydrophobicContact CG-CG2 3.78Å; L156-V185 HydrophobicContact CB-CB 4.05Å; L156-V185 HydrophobicContact CB-CG1 3.74Å; L156-V185 HydrophobicContact CB-CG2 4.33Å; K157-V185 HydrophobicContact CB-CG1 4.33Å; K157-V185 HydrophobicContact CG-CG1 3.55Å; K157-V185 HydrophobicContact CG-CG2 4.38Å; D181-V185 WeakPolarHBondContact O-CB 3.21Å; D181-V185 WeakPolarHBondContact O-CG2 3.42Å; D181-V185 PolarHBondContact O-N 3.47Å; I182-V185 PolarHBondContact O-N 3.15Å; V183-V185 VanDerWaalsContact C-N 3.28Å; V183-V185 PolarHBondContact O-N 2.77Å
186L97.2Very high98.2Very high13 Ų1334.2 Ų34.27%0.06819%0.194CC..Hα-helixtrans-95.5-8.8-176.1-53.8-168.9000113.5L156 E160 I182 R190 V232L156-L186 HydrophobicContact CD2-CD1 4.35Å; E160-L186 HydrophobicContact CB-CD2 4.05Å; E160-L186 HydrophobicContact CG-CD2 4.02Å; I182-L186 HydrophobicContact CG2-CB 4.29Å; I182-L186 HydrophobicContact CG2-CD1 3.98Å; I182-L186 HydrophobicContact CG2-CG 4.25Å; I182-L186 WeakPolarHBondContact O-CA 3.34Å; I182-L186 WeakPolarHBondContact O-CB 3.1Å; I182-L186 PolarHBondContact O-N 3.41Å; L186-R190 HydrophobicContact CB-CB 4.19Å; L186-R190 HydrophobicContact CB-CG 4.1Å; L186-R190 HydrophobicContact CD1-CG 4.38Å; L186-V232 HydrophobicContact CD1-CG1 3.94Å
187G96.9Very high98.1Very high29 Ų2934.2 Ų34.230%0.29919%0.193SC..  trans88.4146.2-178.400000113.7V183 S189 R190 V210V183-G187 CarbonylContact O-C 3.59Å; V183-G187 VanDerWaalsContact O-CA 3.31Å; V183-G187 WeakPolarHBondContact O-CA 3.27Å; V183-G187 PolarHBondContact O-N 2.81Å; V183-G187 VanDerWaalsContact O-N 3.12Å; G187-S189 PolarHBondContact O-N 3.09Å; G187-S189 VanDerWaalsContact O-N 3.16Å; G187-R190 VanDerWaalsContact O-CB 3.28Å; G187-R190 WeakPolarHBondContact O-CB 3.31Å; G187-R190 PolarHBondContact O-N 3.01Å; G187-R190 VanDerWaalsContact O-N 3.09Å; G187-V210 VanDerWaalsContact O-CG1 3.25Å; G187-V210 WeakPolarHBondContact O-CG1 3.38Å
188E97.8Very high98.1Very high136 Ų13631.1 Ų31.164%0.63618%0.176SC*.THydrogen-bonded Turntrans-58.4-28.6-177-69.6177.8-177.400114.3V183 R190 P209 V210 G211V183-E188 HydrophobicContact CG1-CG 3.52Å; E188-R190 VanDerWaalsContact C-N 3.31Å; E188-P209 CarbonylContact O-C 3.53Å; E188-V210 PolarHBondContact O-N 3.43Å; E188-V210 VanDerWaalsContact O-N 3.14Å; E188-G211 PolarHBondContact O-N 3.14Å
189S97.3Very high98.1Very high105 Ų10532.7 Ų32.773%0.73419%0.186SC*.THydrogen-bonded Turntrans-80.2-10.2-178.5600000113.7G187 Y191G187-S189 PolarHBondContact O-N 3.09Å; G187-S189 VanDerWaalsContact O-N 3.16Å; S189-Y191 PolarHBondContact O-N 3.24Å
190R97.9Very high98Very high20 Ų2035.6 Ų35.68%0.07520%0.199CC..  trans-60.6120.2179.2-177.664.366.4121.88.8109.5E160 L186 G187 E188 V192 V210 V232 E233E160-R190 PolarHBondContact O-NH2 3.12Å; L186-R190 HydrophobicContact CB-CB 4.19Å; L186-R190 HydrophobicContact CB-CG 4.1Å; L186-R190 HydrophobicContact CD1-CG 4.38Å; G187-R190 VanDerWaalsContact O-CB 3.28Å; G187-R190 WeakPolarHBondContact O-CB 3.31Å; G187-R190 PolarHBondContact O-N 3.01Å; G187-R190 VanDerWaalsContact O-N 3.09Å; E188-R190 VanDerWaalsContact C-N 3.31Å; R190-V192 HydrophobicContact CG-CG2 4.46Å; R190-V210 HydrophobicContact CB-CG1 4.13Å; R190-V210 WeakPolarHBondContact O-CB 3.19Å; R190-V210 PolarHBondContact O-N 3.03Å; R190-V232 HydrophobicContact CG-CG1 3.7Å; R190-E233 VanDerWaalsContact CD-O 3.23Å; R190-E233 WeakPolarHBondContact CD-O 3.37Å; R190-E233 PolarHBondContact NH1-O 3.13Å
191Y98.6Very high97.9Very high81 Ų8137.9 Ų37.932%0.31822%0.218SC..EExtended strand (participates in β ladder)trans-73.1130.9-179.8-163.1-91.7000110.8L134 S189 V193 G207 E233L134-Y191 HydrophobicContact CD1-CD1 4.46Å; L134-Y191 HydrophobicContact CD2-CD1 3.91Å; L134-Y191 HydrophobicContact CD2-CE1 4.41Å; S189-Y191 PolarHBondContact O-N 3.24Å; Y191-V193 HydrophobicContact CD1-CG2 4.31Å; Y191-V193 HydrophobicContact CE1-CG2 3.76Å; Y191-G207 VanDerWaalsContact CZ-C 3.48Å; Y191-G207 WeakPolarHBondContact OH-CA 3.28Å; Y191-G207 PolarHBondContact OH-O 2.87Å; Y191-G207 VanDerWaalsContact OH-O 3.07Å; Y191-E233 WeakPolarHBondContact O-CB 3.33Å; Y191-E233 PolarHBondContact O-N 2.88Å
192V98.8Very high97.7Very high0 Ų046.1 Ų46.10%025%0.249CC..EExtended strand (participates in β ladder)trans-136136.1-179179.30000109.4I182 R190 G207 A208 V210 L213 L230 I231 V232I182-V192 HydrophobicContact CG2-CG2 4.49Å; R190-V192 HydrophobicContact CG-CG2 4.46Å; V192-G207 WeakPolarHBondContact O-CA 3.45Å; V192-A208 PolarHBondContact N-O 2.76Å; V192-A208 PolarHBondContact O-N 3.08Å; V192-A208 VanDerWaalsContact O-O 3.1Å; V192-V210 HydrophobicContact CB-CB 4.34Å; V192-V210 HydrophobicContact CB-CG2 4.42Å; V192-V210 HydrophobicContact CG2-CB 3.76Å; V192-V210 HydrophobicContact CG2-CG2 3.94Å; V192-L213 HydrophobicContact CB-CD2 3.79Å; V192-L213 HydrophobicContact CG1-CD2 3.64Å; V192-L230 HydrophobicContact CG1-CD2 4.12Å; V192-I231 CarbonylContact C-O 3.55Å; V192-I231 WeakPolarHBondContact CA-O 3.2Å; V192-V232 HydrophobicContact CG1-CG2 4.18Å; V192-V232 HydrophobicContact CG2-CB 4.26Å; V192-V232 HydrophobicContact CG2-CG1 4Å; V192-V232 HydrophobicContact CG2-CG2 3.95Å
193V98.9Very high97.7Very high3 Ų350.7 Ų50.72%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-105.9122.4171-176.10000109.2A132 L134 Y191 I205 H206 L230 I231A132-V193 HydrophobicContact CB-CB 4.17Å; A132-V193 HydrophobicContact CB-CG1 4.23Å; A132-V193 HydrophobicContact CB-CG2 4.04Å; L134-V193 HydrophobicContact CD1-CG2 4.11Å; L134-V193 HydrophobicContact CG-CG2 4.43Å; Y191-V193 HydrophobicContact CD1-CG2 4.31Å; Y191-V193 HydrophobicContact CE1-CG2 3.76Å; V193-I205 HydrophobicContact CG1-CG2 3.56Å; V193-H206 CarbonylContact C-O 3.6Å; V193-H206 WeakPolarHBondContact CA-O 3.41Å; V193-L230 WeakPolarHBondContact O-CA 3.36Å; V193-I231 HydrophobicContact CB-CB 4.23Å; V193-I231 PolarHBondContact N-O 3Å; V193-I231 PolarHBondContact O-N 3.16Å
194L98.8Very high97.7Very high3 Ų351.7 Ų51.72%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-92.6114.3167.2173.962.2000108.9L175 I205 H206 L213 W216 V217 M228 L230L175-L194 HydrophobicContact CD1-CD1 4.08Å; L175-L194 HydrophobicContact CD2-CD2 4.11Å; L194-I205 WeakPolarHBondContact O-CA 3.34Å; L194-H206 PolarHBondContact N-O 3.26Å; L194-H206 PolarHBondContact O-N 3.22Å; L194-L213 HydrophobicContact CB-CD1 4.18Å; L194-L213 HydrophobicContact CB-CD2 4.29Å; L194-W216 HydrophobicContact CD2-CZ3 4.24Å; L194-V217 HydrophobicContact CD2-CG2 3.91Å; L194-M228 HydrophobicContact CD1-CB 3.8Å; L194-M228 HydrophobicContact CD1-CG 3.84Å; L194-M228 HydrophobicContact CD1-SD 3.95Å; L194-L230 HydrophobicContact CB-CD2 4.14Å; L194-L230 HydrophobicContact CD1-CD2 3.67Å; L194-L230 HydrophobicContact CG-CD2 4.49Å
195A98.6Very high97.7Very high1 Ų151.3 Ų51.31%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-104116.1169.500000109A128 L198 I205 M228 V229A128-A195 HydrophobicContact CB-CB 3.78Å; A195-L198 HydrophobicContact CB-CD1 4.2Å; A195-L198 HydrophobicContact CB-CD2 4.05Å; A195-L198 HydrophobicContact CB-CG 4.24Å; A195-I205 HydrophobicContact CB-CG1 4.21Å; A195-M228 CarbonylContact O-C 3.48Å; A195-M228 VanDerWaalsContact O-CA 3.3Å; A195-M228 WeakPolarHBondContact O-CA 3.21Å; A195-V229 HydrophobicContact CB-CB 4.39Å; A195-V229 PolarHBondContact N-O 2.91Å; A195-V229 PolarHBondContact O-N 3.34Å
196R97.8Very high97.7Very high24 Ų2453.5 Ų53.59%0.09127%0.273CS..EExtended strand (participates in β ladder)trans-119.3138.6-172.1-175.6179.273.969.710.6110.3L198 W202 E203 T204 R223 K225 E227 M228R196-L198 PolarHBondContact O-N 3.46Å; R196-W202 PolarHBondContact NH2-O 3.42Å; R196-E203 WeakPolarHBondContact O-CA 3.23Å; R196-T204 PolarHBondContact N-O 3.15Å; R196-T204 PolarHBondContact NH2-OG1 3.11Å; R196-T204 PolarHBondContact O-N 2.98Å; R196-R223 VanDerWaalsContact CD-O 3.25Å; R196-R223 WeakPolarHBondContact CD-O 3.25Å; R196-K225 VanDerWaalsContact CD-O 3.27Å; R196-K225 WeakPolarHBondContact CD-O 3.28Å; R196-K225 WeakPolarHBondContact CG-O 3.36Å; R196-K225 PolarHBondContact NH1-O 3.49Å; R196-E227 WeakPolarHBondContact CA-O 3.42Å; R196-M228 HydrophobicContact CB-CG 3.99Å; R196-M228 HydrophobicContact CG-CG 3.75Å; R196-M228 HydrophobicContact CG-SD 4.37Å
197E97.1Very high97.8Very high29 Ų2954 Ų5414%0.13628%0.281CS..SBendtrans51.943.9172.7-70.5-73.193.900112.2T199 K200 W202 E203 G226 E227E197-T199 PolarHBondContact O-N 3.47Å; E197-K200 HydrophobicContact CB-CB 4.28Å; E197-K200 HydrophobicContact CB-CD 4.33Å; E197-K200 WeakPolarHBondContact O-CB 3.18Å; E197-K200 PolarHBondContact O-N 2.87Å; E197-K200 IonicContact OE1-NZ 3.28Å; E197-K200 PolarHBondContact OE1-NZ 3.23Å; E197-K200 VanDerWaalsContact OE2-CD 3.29Å; E197-K200 WeakPolarHBondContact OE2-CD 3.39Å; E197-K200 IonicContact OE2-NZ 2.97Å; E197-W202 HydrophobicContact CB-CB 4.49Å; E197-E203 WeakPolarHBondContact O-CA 3.44Å; E197-G226 VanDerWaalsContact OE1-CA 3.28Å; E197-G226 WeakPolarHBondContact OE1-CA 3.35Å; E197-E227 PolarHBondContact N-O 3.47Å; E197-E227 PolarHBondContact OE1-N 2.87Å
198L98.2Very high97.9Very high13 Ų1353 Ų537%0.06827%0.27CS..THydrogen-bonded Turntrans-52.6133.1-178.3-73.1170.2000111I21 A124 T127 A128 A195 R196 K200 E203 I205 V229I21-L198 HydrophobicContact CD1-CB 4.13Å; A124-L198 HydrophobicContact CB-CD1 4.36Å; A124-L198 WeakPolarHBondContact O-CD1 3.4Å; T127-L198 HydrophobicContact CG2-CD1 4.44Å; T127-L198 HydrophobicContact CG2-CD2 4.34Å; A128-L198 HydrophobicContact CB-CD1 3.88Å; A195-L198 HydrophobicContact CB-CD1 4.2Å; A195-L198 HydrophobicContact CB-CD2 4.05Å; A195-L198 HydrophobicContact CB-CG 4.24Å; R196-L198 PolarHBondContact O-N 3.46Å; L198-K200 PolarHBondContact O-N 2.91Å; L198-E203 WeakPolarHBondContact CA-OE2 3.44Å; L198-E203 HydrophobicContact CD2-CG 4.43Å; L198-I205 HydrophobicContact CD2-CD1 4.07Å; L198-I205 HydrophobicContact CD2-CG1 4.33Å; L198-V229 HydrophobicContact CD1-CG2 4.07Å
199T97.9Very high97.9Very high33 Ų3348.2 Ų48.220%0.20225%0.251CS..THydrogen-bonded Turntrans63.88.6-178.677.10000114.8I21 G22 N23 D26 E197 E203I21-T199 HydrophobicContact CD1-CG2 4.13Å; I21-T199 HydrophobicContact CG1-CG2 4.06Å; G22-T199 WeakPolarHBondContact CA-OG1 3.25Å; G22-T199 PolarHBondContact N-OG1 3.02Å; G22-T199 VanDerWaalsContact N-OG1 3.17Å; N23-T199 WeakPolarHBondContact CB-O 3.31Å; N23-T199 PolarHBondContact N-O 3.09Å; N23-T199 VanDerWaalsContact N-O 3.11Å; N23-T199 PolarHBondContact N-OG1 3.12Å; D26-T199 VanDerWaalsContact OD2-CB 3.29Å; D26-T199 WeakPolarHBondContact OD2-CB 3.24Å; D26-T199 VanDerWaalsContact OD2-CG2 3.27Å; D26-T199 WeakPolarHBondContact OD2-CG2 3.49Å; E197-T199 PolarHBondContact O-N 3.47Å; T199-E203 PolarHBondContact N-OE2 3.44Å
200K96.8Very high98Very high62 Ų6243.2 Ų43.227%0.2722%0.216SC..SBendtrans-105.6175.8177.5-56.3174.1-167.9173.10111.2I21 E197 L198 W202 E203 E227I21-K200 WeakPolarHBondContact O-CE 3.42Å; E197-K200 HydrophobicContact CB-CB 4.28Å; E197-K200 HydrophobicContact CB-CD 4.33Å; E197-K200 WeakPolarHBondContact O-CB 3.18Å; E197-K200 PolarHBondContact O-N 2.87Å; E197-K200 IonicContact OE1-NZ 3.28Å; E197-K200 PolarHBondContact OE1-NZ 3.23Å; E197-K200 VanDerWaalsContact OE2-CD 3.29Å; E197-K200 WeakPolarHBondContact OE2-CD 3.39Å; E197-K200 IonicContact OE2-NZ 2.97Å; L198-K200 PolarHBondContact O-N 2.91Å; K200-W202 PolarHBondContact O-N 3.23Å; K200-W202 VanDerWaalsContact O-N 3.16Å; K200-E203 PolarHBondContact O-N 2.89Å; K200-E227 IonicContact NZ-OE2 2.83Å; K200-E227 PolarHBondContact NZ-OE2 2.85Å
201T95.4Very high98Very high127 Ų12743.3 Ų43.378%0.77922%0.223SC*.THydrogen-bonded Turntrans-55.3-35-177.8-51.10000114.1
202W95.4Very high98Very high180 Ų18045.6 Ų45.668%0.68224%0.236SC*.THydrogen-bonded Turntrans-105.328.1-174.5-55.8112.7000112.6R196 E197 K200 T204R196-W202 PolarHBondContact NH2-O 3.42Å; E197-W202 HydrophobicContact CB-CB 4.49Å; K200-W202 PolarHBondContact O-N 3.23Å; K200-W202 VanDerWaalsContact O-N 3.16Å; W202-T204 PolarHBondContact O-N 2.85Å; W202-T204 PolarHBondContact O-OG1 3.45Å
203E97.9Very high98Very high96 Ų9645.6 Ų45.645%0.44924%0.236SC..  trans-51.4132.9179.1-176.5174.787.200111.2R196 E197 L198 T199 K200R196-E203 WeakPolarHBondContact O-CA 3.23Å; E197-E203 WeakPolarHBondContact O-CA 3.44Å; L198-E203 WeakPolarHBondContact CA-OE2 3.44Å; L198-E203 HydrophobicContact CD2-CG 4.43Å; T199-E203 PolarHBondContact N-OE2 3.44Å; K200-E203 PolarHBondContact O-N 2.89Å
204T97.9Very high98Very high45 Ų4546.3 Ų46.328%0.27624%0.24SC..EExtended strand (participates in β ladder)trans-146.7127.9175.6-53.40000109.4R196 W202 W216R196-T204 PolarHBondContact N-O 3.15Å; R196-T204 PolarHBondContact NH2-OG1 3.11Å; R196-T204 PolarHBondContact O-N 2.98Å; W202-T204 PolarHBondContact O-N 2.85Å; W202-T204 PolarHBondContact O-OG1 3.45Å; T204-W216 HydrophobicContact CG2-CH2 4.2Å
205I98.4Very high98Very high64 Ų6448.6 Ų48.633%0.32826%0.26SS..EExtended strand (participates in β ladder)trans-121.1115.3173.7-55.6-179.4000107.1A131 V193 L194 A195 L198A131-I205 HydrophobicContact CB-CD1 3.56Å; V193-I205 HydrophobicContact CG1-CG2 3.56Å; L194-I205 WeakPolarHBondContact O-CA 3.34Å; A195-I205 HydrophobicContact CB-CG1 4.21Å; L198-I205 HydrophobicContact CD2-CD1 4.07Å; L198-I205 HydrophobicContact CD2-CG1 4.33Å
206H98.5Very high98Very high59 Ų5951 Ų5127%0.27327%0.268SS..EExtended strand (participates in β ladder)trans-134.5126.6-177.2-174.465.6000110.7V193 L194 W216V193-H206 CarbonylContact C-O 3.6Å; V193-H206 WeakPolarHBondContact CA-O 3.41Å; L194-H206 PolarHBondContact N-O 3.26Å; L194-H206 PolarHBondContact O-N 3.22Å; H206-W216 HydrophobicContact CB-CH2 3.89Å; H206-W216 HydrophobicContact CB-CZ2 4.24Å; H206-W216 HydrophobicContact CB-CZ3 4.13Å; H206-W216 AromaticContact CD2-CD2 3.54Å; H206-W216 AromaticContact CD2-CE2 3.78Å; H206-W216 AromaticContact CD2-CE3 3.6Å; H206-W216 AromaticContact CD2-CZ3 3.91Å; H206-W216 AromaticContact NE2-CD2 3.81Å; H206-W216 AromaticContact NE2-CE2 3.99Å; H206-W216 AromaticContact NE2-CG 3.88Å
207G98.7Very high98Very high24 Ų2449.9 Ų49.925%0.24726%0.264CS..EExtended strand (participates in β ladder)trans-118.8131.4-179.500000112.2Y191 V192Y191-G207 VanDerWaalsContact CZ-C 3.48Å; Y191-G207 WeakPolarHBondContact OH-CA 3.28Å; Y191-G207 PolarHBondContact OH-O 2.87Å; Y191-G207 VanDerWaalsContact OH-O 3.07Å; V192-G207 WeakPolarHBondContact O-CA 3.45Å
208A98.7Very high98Very high7 Ų753.6 Ų53.66%0.05828%0.28CS..EExtended strand (participates in β ladder)trans-156.5164.8176.900000110.2V192 V210 E212 L213V192-A208 PolarHBondContact N-O 2.76Å; V192-A208 PolarHBondContact O-N 3.08Å; V192-A208 VanDerWaalsContact O-O 3.1Å; A208-V210 PolarHBondContact O-N 3.34Å; A208-E212 HydrophobicContact CB-CB 4.16Å; A208-L213 HydrophobicContact CB-CB 4.24Å
209P98.6Very high98Very high36 Ų3659.7 Ų59.723%0.23431%0.308CS..EExtended strand (participates in β ladder)trans-49.1135.8159.1-25.235.9000110.2E188 G211 E212 L213E188-P209 CarbonylContact O-C 3.53Å; P209-G211 PolarHBondContact O-N 3.24Å; P209-G211 VanDerWaalsContact O-N 3.12Å; P209-E212 HydrophobicContact CB-CG 4.41Å; P209-E212 WeakPolarHBondContact O-CA 3.38Å; P209-E212 WeakPolarHBondContact O-CB 3.49Å; P209-E212 PolarHBondContact O-N 3.04Å; P209-L213 PolarHBondContact O-N 3Å
210V98.7Very high97.9Very high0 Ų060.8 Ų60.80%031%0.313CS..Hα-helixtrans-61.7-28.8-16866.60000113.4L179 I182 V183 G187 E188 R190 V192 A208 L213 L214L179-V210 HydrophobicContact CD2-CG2 4.04Å; I182-V210 HydrophobicContact CB-CG2 4.25Å; I182-V210 HydrophobicContact CG2-CB 4.34Å; I182-V210 HydrophobicContact CG2-CG1 4.23Å; I182-V210 HydrophobicContact CG2-CG2 3.76Å; V183-V210 HydrophobicContact CG2-CB 4.33Å; V183-V210 HydrophobicContact CG2-CG1 3.74Å; V183-V210 HydrophobicContact CG2-CG2 4.03Å; G187-V210 VanDerWaalsContact O-CG1 3.25Å; G187-V210 WeakPolarHBondContact O-CG1 3.38Å; E188-V210 PolarHBondContact O-N 3.43Å; E188-V210 VanDerWaalsContact O-N 3.14Å; R190-V210 HydrophobicContact CB-CG1 4.13Å; R190-V210 WeakPolarHBondContact O-CB 3.19Å; R190-V210 PolarHBondContact O-N 3.03Å; V192-V210 HydrophobicContact CB-CB 4.34Å; V192-V210 HydrophobicContact CB-CG2 4.42Å; V192-V210 HydrophobicContact CG2-CB 3.76Å; V192-V210 HydrophobicContact CG2-CG2 3.94Å; A208-V210 PolarHBondContact O-N 3.34Å; V210-L213 PolarHBondContact O-N 3.22Å; V210-L214 VanDerWaalsContact O-CB 3.31Å; V210-L214 WeakPolarHBondContact O-CB 3.31Å; V210-L214 PolarHBondContact O-N 3.44Å
211G98.6Very high97.8Very high22 Ų2263.4 Ų63.423%0.22733%0.326CS..Hα-helixtrans-61.7-44171.500000112.5E188 P209 A215E188-G211 PolarHBondContact O-N 3.14Å; P209-G211 PolarHBondContact O-N 3.24Å; P209-G211 VanDerWaalsContact O-N 3.12Å; G211-A215 PolarHBondContact O-N 3.05Å
212E98.8Very high97.8Very high129 Ų12961.4 Ų61.460%0.60331%0.31SS*.Hα-helixtrans-70.3-41.2175.5-64.1177.3-150.300111.4A208 P209 L214 A215 W216A208-E212 HydrophobicContact CB-CB 4.16Å; P209-E212 HydrophobicContact CB-CG 4.41Å; P209-E212 WeakPolarHBondContact O-CA 3.38Å; P209-E212 WeakPolarHBondContact O-CB 3.49Å; P209-E212 PolarHBondContact O-N 3.04Å; E212-L214 VanDerWaalsContact C-N 3.32Å; E212-L214 PolarHBondContact O-N 3.5Å; E212-A215 PolarHBondContact O-N 2.87Å; E212-W216 WeakPolarHBondContact O-CB 3.42Å; E212-W216 PolarHBondContact O-N 3.17Å
213L98.7Very high97.8Very high0 Ų055.5 Ų55.50%029%0.288CS..Hα-helixtrans-59.5-44176.5-177.862.5000111.2L179 V192 L194 A208 P209 V210 W216 V217L179-L213 HydrophobicContact CD1-CG 4.5Å; L179-L213 HydrophobicContact CD2-CD2 3.96Å; V192-L213 HydrophobicContact CB-CD2 3.79Å; V192-L213 HydrophobicContact CG1-CD2 3.64Å; L194-L213 HydrophobicContact CB-CD1 4.18Å; L194-L213 HydrophobicContact CB-CD2 4.29Å; A208-L213 HydrophobicContact CB-CB 4.24Å; P209-L213 PolarHBondContact O-N 3Å; V210-L213 PolarHBondContact O-N 3.22Å; L213-W216 HydrophobicContact CD1-CE3 4Å; L213-W216 HydrophobicContact CD1-CZ3 4.46Å; L213-W216 PolarHBondContact O-N 3.28Å; L213-V217 HydrophobicContact CD1-CG2 4.41Å; L213-V217 WeakPolarHBondContact O-CG2 3.45Å; L213-V217 PolarHBondContact O-N 3.4Å
214L98.6Very high97.7Very high19 Ų1954.3 Ų54.310%0.09928%0.279CS..Hα-helixtrans-61-44.8176.8174.260.2000111.6L176 L179 E180 V183 V210 E212 V217 K218L176-L214 HydrophobicContact CD2-CD1 4.01Å; L179-L214 HydrophobicContact CB-CB 4.32Å; L179-L214 HydrophobicContact CB-CD1 3.83Å; L179-L214 HydrophobicContact CD1-CD1 4.44Å; E180-L214 HydrophobicContact CG-CD1 3.98Å; E180-L214 HydrophobicContact CG-CD2 3.68Å; E180-L214 HydrophobicContact CG-CG 4.49Å; V183-L214 HydrophobicContact CG2-CD2 4.12Å; V210-L214 VanDerWaalsContact O-CB 3.31Å; V210-L214 WeakPolarHBondContact O-CB 3.31Å; V210-L214 PolarHBondContact O-N 3.44Å; E212-L214 VanDerWaalsContact C-N 3.32Å; E212-L214 PolarHBondContact O-N 3.5Å; L214-V217 PolarHBondContact O-N 3.32Å; L214-K218 HydrophobicContact CD1-CD 4.21Å; L214-K218 HydrophobicContact CD1-CG 4.43Å; L214-K218 HydrophobicContact CG-CD 4.37Å; L214-K218 WeakPolarHBondContact O-CG 3.47Å; L214-K218 PolarHBondContact O-N 2.94Å; L214-K218 VanDerWaalsContact O-N 3.11Å
215A98.4Very high97.5Very high51 Ų5157 Ų5742%0.42129%0.287SS..Hα-helixtrans-61.3-48175.600000111G211 E212 V217 K218 E219G211-A215 PolarHBondContact O-N 3.05Å; E212-A215 PolarHBondContact O-N 2.87Å; A215-V217 PolarHBondContact O-N 3.41Å; A215-K218 WeakPolarHBondContact O-CB 3.41Å; A215-K218 PolarHBondContact O-N 3.45Å; A215-K218 VanDerWaalsContact O-N 3.08Å; A215-E219 PolarHBondContact O-N 2.94Å
216W98.3Very high97.3Very high51 Ų5155.2 Ų55.219%0.19329%0.285CS..Hα-helixtrans-58.5-42.4177.4179.385.5000112.5L194 T204 H206 E212 L213 K218 E219 R223L194-W216 HydrophobicContact CD2-CZ3 4.24Å; T204-W216 HydrophobicContact CG2-CH2 4.2Å; H206-W216 HydrophobicContact CB-CH2 3.89Å; H206-W216 HydrophobicContact CB-CZ2 4.24Å; H206-W216 HydrophobicContact CB-CZ3 4.13Å; H206-W216 AromaticContact CD2-CD2 3.54Å; H206-W216 AromaticContact CD2-CE2 3.78Å; H206-W216 AromaticContact CD2-CE3 3.6Å; H206-W216 AromaticContact CD2-CZ3 3.91Å; H206-W216 AromaticContact NE2-CD2 3.81Å; H206-W216 AromaticContact NE2-CE2 3.99Å; H206-W216 AromaticContact NE2-CG 3.88Å; E212-W216 WeakPolarHBondContact O-CB 3.42Å; E212-W216 PolarHBondContact O-N 3.17Å; L213-W216 HydrophobicContact CD1-CE3 4Å; L213-W216 HydrophobicContact CD1-CZ3 4.46Å; L213-W216 PolarHBondContact O-N 3.28Å; W216-K218 VanDerWaalsContact C-N 3.33Å; W216-K218 PolarHBondContact O-N 3.37Å; W216-E219 PolarHBondContact O-N 2.9Å; W216-R223 HydrophobicContact CE3-CB 4.49Å; W216-R223 HydrophobicContact CH2-CB 4.09Å; W216-R223 HydrophobicContact CH2-CG 3.82Å; W216-R223 HydrophobicContact CZ2-CG 4.03Å; W216-R223 HydrophobicContact CZ3-CB 3.95Å; W216-R223 HydrophobicContact CZ3-CG 4.1Å; W216-R223 WeakPolarHBondContact O-CD 3.46Å; W216-R223 PolarHBondContact O-NH1 3.12Å
217V98Very high97.2Very high1 Ų157.7 Ų57.71%0.00630%0.296CS..Hα-helixtrans-65.9-35.7176.2173.20000111.7L175 L176 L179 L194 L213 L214 A215 E219 R224L175-V217 HydrophobicContact CD2-CG1 3.65Å; L175-V217 HydrophobicContact CD2-CG2 4.24Å; L176-V217 HydrophobicContact CD2-CB 4.31Å; L176-V217 HydrophobicContact CD2-CG1 3.64Å; L179-V217 HydrophobicContact CD1-CB 4.28Å; L179-V217 HydrophobicContact CD1-CG2 3.92Å; L194-V217 HydrophobicContact CD2-CG2 3.91Å; L213-V217 HydrophobicContact CD1-CG2 4.41Å; L213-V217 WeakPolarHBondContact O-CG2 3.45Å; L213-V217 PolarHBondContact O-N 3.4Å; L214-V217 PolarHBondContact O-N 3.32Å; A215-V217 PolarHBondContact O-N 3.41Å; V217-E219 VanDerWaalsContact C-N 3.29Å; V217-E219 PolarHBondContact O-N 2.88Å; V217-R224 HydrophobicContact CG1-CB 3.99Å
218K97.8Very high97.1Very high107 Ų10756.9 Ų56.947%0.46529%0.286SS..Hα-helixtrans-68.6-24.2-179.6-78.4176.5171.4173.10113.7L176 E180 L214 A215 W216L176-K218 HydrophobicContact CD1-CG 4.42Å; L176-K218 HydrophobicContact CD2-CG 3.76Å; E180-K218 WeakPolarHBondContact OE1-CE 3.3Å; E180-K218 IonicContact OE1-NZ 3.23Å; E180-K218 PolarHBondContact OE1-NZ 3.32Å; L214-K218 HydrophobicContact CD1-CD 4.21Å; L214-K218 HydrophobicContact CD1-CG 4.43Å; L214-K218 HydrophobicContact CG-CD 4.37Å; L214-K218 WeakPolarHBondContact O-CG 3.47Å; L214-K218 PolarHBondContact O-N 2.94Å; L214-K218 VanDerWaalsContact O-N 3.11Å; A215-K218 WeakPolarHBondContact O-CB 3.41Å; A215-K218 PolarHBondContact O-N 3.45Å; A215-K218 VanDerWaalsContact O-N 3.08Å; W216-K218 VanDerWaalsContact C-N 3.33Å; W216-K218 PolarHBondContact O-N 3.37Å
219E97.9Very high97.1Very high140 Ų14056.7 Ų56.765%0.65428%0.284SS*.Hα-helixtrans-70.9-26.2-178.6-72.5170.9-179.800114.4A215 W216 V217 R223A215-E219 PolarHBondContact O-N 2.94Å; W216-E219 PolarHBondContact O-N 2.9Å; V217-E219 VanDerWaalsContact C-N 3.29Å; V217-E219 PolarHBondContact O-N 2.88Å; E219-R223 IonicContact OE2-CZ 2.85Å; E219-R223 IonicContact OE2-NH1 2.68Å; E219-R223 PolarHBondContact OE2-NH1 2.79Å; E219-R223 IonicContact OE2-NH2 3.57Å
220D96.7Very high97.1Very high57 Ų5755 Ų5531%0.30527%0.273SS..  trans-146.5116.3-178.7176.15.6000110.7N222 R223D220-N222 PolarHBondContact O-N 3.43Å; D220-N222 VanDerWaalsContact O-N 3.07Å; D220-N222 WeakPolarHBondContact OD1-CB 3.32Å; D220-N222 PolarHBondContact OD1-N 2.98Å; D220-N222 PolarHBondContact OD1-ND2 3.16Å; D220-R223 HydrophobicContact CB-CG 3.96Å; D220-R223 VanDerWaalsContact O-CB 3.28Å; D220-R223 WeakPolarHBondContact O-CB 3.37Å; D220-R223 PolarHBondContact O-N 3.3Å
221E94.1Very high97.1Very high117 Ų11755 Ų5555%0.54727%0.273SS..G310 helixtrans-59.6-22.5-179.8-59.2-162.5129.500113.8R223 R224E221-R223 PolarHBondContact O-N 3.25Å; E221-R224 WeakPolarHBondContact O-CG 3.47Å; E221-R224 PolarHBondContact O-N 3.36Å; E221-R224 IonicContact OE1-CZ 2.81Å; E221-R224 IonicContact OE1-NH2 3.84Å; E221-R224 PolarHBondContact OE1-NH2 3.06Å
222N95.1Very high97.1Very high84 Ų8454 Ų5445%0.44926%0.262SS..G310 helixtrans-68.4-24175.9-60.3-53.3000112.2D220 R224 K225D220-N222 PolarHBondContact O-N 3.43Å; D220-N222 VanDerWaalsContact O-N 3.07Å; D220-N222 WeakPolarHBondContact OD1-CB 3.32Å; D220-N222 PolarHBondContact OD1-N 2.98Å; D220-N222 PolarHBondContact OD1-ND2 3.16Å; N222-R224 PolarHBondContact O-N 3.31Å; N222-K225 PolarHBondContact O-N 3.43Å; N222-K225 PolarHBondContact OD1-NZ 3.35Å
223R95.8Very high97.1Very high57 Ų5749.7 Ų49.722%0.21524%0.243CC..G310 helixtrans-69.4-12.4177.7-62.7172.4-177.3171.43.2113.4R196 W216 E219 D220 E221R196-R223 VanDerWaalsContact CD-O 3.25Å; R196-R223 WeakPolarHBondContact CD-O 3.25Å; W216-R223 HydrophobicContact CE3-CB 4.49Å; W216-R223 HydrophobicContact CH2-CB 4.09Å; W216-R223 HydrophobicContact CH2-CG 3.82Å; W216-R223 HydrophobicContact CZ2-CG 4.03Å; W216-R223 HydrophobicContact CZ3-CB 3.95Å; W216-R223 HydrophobicContact CZ3-CG 4.1Å; W216-R223 WeakPolarHBondContact O-CD 3.46Å; W216-R223 PolarHBondContact O-NH1 3.12Å; E219-R223 IonicContact OE2-CZ 2.85Å; E219-R223 IonicContact OE2-NH1 2.68Å; E219-R223 PolarHBondContact OE2-NH1 2.79Å; E219-R223 IonicContact OE2-NH2 3.57Å; D220-R223 HydrophobicContact CB-CG 3.96Å; D220-R223 VanDerWaalsContact O-CB 3.28Å; D220-R223 WeakPolarHBondContact O-CB 3.37Å; D220-R223 PolarHBondContact O-N 3.3Å; E221-R223 PolarHBondContact O-N 3.25Å
224R94.6Very high97.1Very high71 Ų7150 Ų5027%0.26825%0.246SC..G310 helixtrans-110.10.9175.660.4175.6177.7178.4-1.8114.4T172 L175 V217 E221 N222 M228T172-R224 WeakPolarHBondContact CA-O 3.41Å; T172-R224 VanDerWaalsContact CB-O 3.31Å; T172-R224 WeakPolarHBondContact CB-O 3.31Å; T172-R224 VanDerWaalsContact CG2-O 3.27Å; T172-R224 WeakPolarHBondContact CG2-O 3.39Å; T172-R224 PolarHBondContact OG1-O 3.18Å; T172-R224 VanDerWaalsContact OG1-O 3.11Å; L175-R224 HydrophobicContact CD2-CB 3.63Å; V217-R224 HydrophobicContact CG1-CB 3.99Å; E221-R224 WeakPolarHBondContact O-CG 3.47Å; E221-R224 PolarHBondContact O-N 3.36Å; E221-R224 IonicContact OE1-CZ 2.81Å; E221-R224 IonicContact OE1-NH2 3.84Å; E221-R224 PolarHBondContact OE1-NH2 3.06Å; N222-R224 PolarHBondContact O-N 3.31Å; R224-M228 WeakPolarHBondContact O-CE 3.43Å
225K94.8Very high96.9Very high102 Ų10252.1 Ų52.144%0.44326%0.255SS..  trans-85137.7-178.2-73.8178.8-173.31650112.3R196 N222R196-K225 VanDerWaalsContact CD-O 3.27Å; R196-K225 WeakPolarHBondContact CD-O 3.28Å; R196-K225 WeakPolarHBondContact CG-O 3.36Å; R196-K225 PolarHBondContact NH1-O 3.49Å; N222-K225 PolarHBondContact O-N 3.43Å; N222-K225 PolarHBondContact OD1-NZ 3.35Å
226G94.2Very high96.5Very high26 Ų2656.4 Ų56.427%0.26826%0.264SS..SBendtrans101.3-160.1176.900000113.3T172 E197T172-G226 PolarHBondContact OG1-N 3.42Å; T172-G226 PolarHBondContact OG1-O 2.68Å; E197-G226 VanDerWaalsContact OE1-CA 3.28Å; E197-G226 WeakPolarHBondContact OE1-CA 3.35Å
227E95.3Very high95.6Very high110 Ų11057.4 Ų57.451%0.51428%0.284SS..EExtended strand (participates in β ladder)trans-91.9141.8178.2-66.8171.7161.500110.7R196 E197 K200R196-E227 WeakPolarHBondContact CA-O 3.42Å; E197-E227 PolarHBondContact N-O 3.47Å; E197-E227 PolarHBondContact OE1-N 2.87Å; K200-E227 IonicContact NZ-OE2 2.83Å; K200-E227 PolarHBondContact NZ-OE2 2.85Å
228M97.8Very high94.6Very high7 Ų763.9 Ų63.93%0.03431%0.314CS..EExtended strand (participates in β ladder)trans-140.3146.7-170.3-66.4165.3-67.800112.4Y169 E170 S171 T172 L175 L194 A195 R196 R224Y169-M228 WeakPolarHBondContact CA-O 3.42Å; E170-M228 PolarHBondContact N-O 2.85Å; E170-M228 PolarHBondContact O-N 2.81Å; S171-M228 WeakPolarHBondContact O-CE 3.33Å; T172-M228 VanDerWaalsContact N-CE 3.32Å; L175-M228 HydrophobicContact CB-CE 4.04Å; L175-M228 HydrophobicContact CB-SD 4.42Å; L175-M228 HydrophobicContact CD1-SD 4.15Å; L175-M228 HydrophobicContact CD2-CE 4.29Å; L175-M228 HydrophobicContact CD2-SD 3.61Å; L175-M228 HydrophobicContact CG-SD 4.26Å; L194-M228 HydrophobicContact CD1-CB 3.8Å; L194-M228 HydrophobicContact CD1-CG 3.84Å; L194-M228 HydrophobicContact CD1-SD 3.95Å; A195-M228 CarbonylContact O-C 3.48Å; A195-M228 VanDerWaalsContact O-CA 3.3Å; A195-M228 WeakPolarHBondContact O-CA 3.21Å; R196-M228 HydrophobicContact CB-CG 3.99Å; R196-M228 HydrophobicContact CG-CG 3.75Å; R196-M228 HydrophobicContact CG-SD 4.37Å; R224-M228 WeakPolarHBondContact O-CE 3.43Å
229V98.6Very high93.2Very high4 Ų468.6 Ų68.62%0.02434%0.338CS..EExtended strand (participates in β ladder)trans-119.8128.8168.4-171.10000107.9A124 A128 I167 F168 Y169 A195 L198 I231A124-V229 HydrophobicContact CB-CG2 3.97Å; A128-V229 HydrophobicContact CB-CB 3.76Å; A128-V229 HydrophobicContact CB-CG1 3.69Å; A128-V229 HydrophobicContact CB-CG2 4.18Å; I167-V229 HydrophobicContact CG2-CG1 3.65Å; F168-V229 CarbonylContact O-C 3.57Å; F168-V229 VanDerWaalsContact O-CA 3.3Å; F168-V229 WeakPolarHBondContact O-CA 3.47Å; F168-V229 WeakPolarHBondContact O-CG1 3.32Å; Y169-V229 HydrophobicContact CD1-CB 4.43Å; Y169-V229 HydrophobicContact CD1-CG1 4.17Å; Y169-V229 HydrophobicContact CD1-CG2 3.83Å; Y169-V229 HydrophobicContact CE1-CG1 4.3Å; Y169-V229 HydrophobicContact CE1-CG2 3.82Å; A195-V229 HydrophobicContact CB-CB 4.39Å; A195-V229 PolarHBondContact N-O 2.91Å; A195-V229 PolarHBondContact O-N 3.34Å; L198-V229 HydrophobicContact CD1-CG2 4.07Å; V229-I231 HydrophobicContact CG1-CD1 3.66Å; V229-I231 HydrophobicContact CG1-CG1 4.46Å
230L98.8Very high91.9Very high0 Ų070.6 Ų70.60%035%0.347CS..EExtended strand (participates in β ladder)trans-100.1122.9170.2-64.7174.6000108.7I167 F168 E170 L175 L179 I182 V192 V193 L194I167-L230 WeakPolarHBondContact CA-O 3.27Å; F168-L230 HydrophobicContact CB-CB 4.35Å; F168-L230 PolarHBondContact N-O 2.91Å; F168-L230 PolarHBondContact O-N 3.33Å; E170-L230 HydrophobicContact CB-CD1 4.36Å; L175-L230 HydrophobicContact CD1-CD1 4.28Å; L175-L230 HydrophobicContact CD1-CD2 4.05Å; L175-L230 HydrophobicContact CD1-CG 4.46Å; L179-L230 HydrophobicContact CD2-CD1 4.37Å; L179-L230 HydrophobicContact CD2-CD2 4.17Å; I182-L230 HydrophobicContact CD1-CD1 4.08Å; V192-L230 HydrophobicContact CG1-CD2 4.12Å; V193-L230 WeakPolarHBondContact O-CA 3.36Å; L194-L230 HydrophobicContact CB-CD2 4.14Å; L194-L230 HydrophobicContact CD1-CD2 3.67Å; L194-L230 HydrophobicContact CG-CD2 4.49Å
231I98.9Very high91Very high0 Ų072.2 Ų72.20%036%0.355CS..EExtended strand (participates in β ladder)trans-107.7111.2172-45.2-64.7000107.6A128 L129 A132 L134 T165 L166 I167 V192 V193 V229A128-I231 HydrophobicContact CB-CD1 3.82Å; A128-I231 HydrophobicContact CB-CG1 4.05Å; L129-I231 HydrophobicContact CB-CD1 4.41Å; L129-I231 HydrophobicContact CD1-CG2 3.96Å; A132-I231 HydrophobicContact CB-CB 4.08Å; A132-I231 HydrophobicContact CB-CG1 4.05Å; A132-I231 HydrophobicContact CB-CG2 4Å; L134-I231 HydrophobicContact CD1-CB 4.33Å; L134-I231 HydrophobicContact CD1-CG2 3.76Å; T165-I231 HydrophobicContact CG2-CG2 3.32Å; L166-I231 CarbonylContact O-C 3.58Å; L166-I231 WeakPolarHBondContact O-CA 3.25Å; I167-I231 HydrophobicContact CB-CD1 4.17Å; I167-I231 HydrophobicContact CD1-CD1 4.12Å; I167-I231 HydrophobicContact CG1-CD1 3.72Å; I167-I231 HydrophobicContact CG2-CD1 3.75Å; V192-I231 CarbonylContact C-O 3.55Å; V192-I231 WeakPolarHBondContact CA-O 3.2Å; V193-I231 HydrophobicContact CB-CB 4.23Å; V193-I231 PolarHBondContact N-O 3Å; V193-I231 PolarHBondContact O-N 3.16Å; V229-I231 HydrophobicContact CG1-CD1 3.66Å; V229-I231 HydrophobicContact CG1-CG1 4.46Å
232V98.8Very high90.5Very high0 Ų068.2 Ų68.20%034%0.337CS..EExtended strand (participates in β ladder)trans-103.1129.5-176-178.70000109T165 L166 F168 L186 R190 V192T165-V232 WeakPolarHBondContact CA-O 3.4Å; L166-V232 HydrophobicContact CB-CB 4.16Å; L166-V232 HydrophobicContact CD1-CG1 4.44Å; L166-V232 PolarHBondContact N-O 3.45Å; L166-V232 PolarHBondContact O-N 2.88Å; F168-V232 HydrophobicContact CD2-CG2 4.05Å; F168-V232 HydrophobicContact CE2-CG2 3.88Å; L186-V232 HydrophobicContact CD1-CG1 3.94Å; R190-V232 HydrophobicContact CG-CG1 3.7Å; V192-V232 HydrophobicContact CG1-CG2 4.18Å; V192-V232 HydrophobicContact CG2-CB 4.26Å; V192-V232 HydrophobicContact CG2-CG1 4Å; V192-V232 HydrophobicContact CG2-CG2 3.95Å
233E98.4Very high90Very high40 Ų4067 Ų6719%0.18733%0.334CS..PPolyproline II helixtrans-61.8138.6176.8-171.5174.2-133.100110.9L134 R190 Y191 K236L134-E233 HydrophobicContact CD1-CB 4.2Å; L134-E233 HydrophobicContact CD2-CB 3.86Å; L134-E233 HydrophobicContact CD2-CG 3.9Å; R190-E233 VanDerWaalsContact CD-O 3.23Å; R190-E233 WeakPolarHBondContact CD-O 3.37Å; R190-E233 PolarHBondContact NH1-O 3.13Å; Y191-E233 WeakPolarHBondContact O-CB 3.33Å; Y191-E233 PolarHBondContact O-N 2.88Å; E233-K236 WeakPolarHBondContact OE1-CE 3.4Å; E233-K236 IonicContact OE1-NZ 3.71Å; E233-K236 PolarHBondContact OE1-NZ 3.14Å; E233-K236 IonicContact OE2-NZ 2.7Å; E233-K236 PolarHBondContact OE2-NZ 2.91Å
234G97.7Very high89.5Confident7 Ų768 Ų687%0.07236%0.355CS..PPolyproline II helixtrans-60.8153.8175.400000113P163 R164 K236P163-G234 WeakPolarHBondContact O-CA 3.37Å; R164-G234 VanDerWaalsContact O-CA 3.24Å; R164-G234 WeakPolarHBondContact O-CA 3.3Å; G234-K236 PolarHBondContact O-N 2.73Å
235H95.6Very high89.3Confident63 Ų6368.4 Ų68.429%0.29236%0.362SS..PPolyproline II helixtrans-65.5124.1178.1177.6-96000110.7E162E162-H235 WeakPolarHBondContact O-CB 3.32Å; E162-H235 PolarHBondContact O-N 2.7Å
236K90Very high89.2Confident140 Ų14063.5 Ų63.561%0.60934%0.341SS*.  trans-93.999.6173.1-67.3172.7-178.11520108.6E233 G234 Q238E233-K236 WeakPolarHBondContact OE1-CE 3.4Å; E233-K236 IonicContact OE1-NZ 3.71Å; E233-K236 PolarHBondContact OE1-NZ 3.14Å; E233-K236 IonicContact OE2-NZ 2.7Å; E233-K236 PolarHBondContact OE2-NZ 2.91Å; G234-K236 PolarHBondContact O-N 2.73Å; K236-Q238 PolarHBondContact O-N 3.42Å
237A79.5Confident89.1Confident73 Ų7364 Ų6460%0.60334%0.337SS*.  trans-62.8135.117000000109.5
238Q77.1Confident89.1Confident136 Ų13665.9 Ų65.964%0.63634%0.34SS*.  trans-76.2143169.7-53.5-174-5.200108.3K236 E240 D241K236-Q238 PolarHBondContact O-N 3.42Å; Q238-E240 PolarHBondContact O-N 3.5Å; Q238-D241 VanDerWaalsContact CB-OD2 3.3Å; Q238-D241 WeakPolarHBondContact CB-OD2 3.4Å; Q238-D241 PolarHBondContact N-OD2 3.24Å; Q238-D241 WeakPolarHBondContact O-CB 3.28Å; Q238-D241 PolarHBondContact O-N 3.06Å
239E68Low89Confident207 Ų20766.7 Ų66.797%0.96735%0.345SS*.THydrogen-bonded Turntrans-58.1-23.4-179.1-72.1-172.4170.500113.2
240E70.7Confident88.8Confident182 Ų18266.7 Ų66.785%0.8535%0.345SS*.THydrogen-bonded Turntrans-88.9-11.4-179.8-59.7-169.7172.500113.7Q238 L242Q238-E240 PolarHBondContact O-N 3.5Å; E240-L242 PolarHBondContact O-N 3.2Å
241D77.9Confident88.6Confident90 Ų9069.7 Ų69.748%0.48137%0.37SS..PPolyproline II helixtrans-69.3123.4-176.7-71.1-29.5000111Q238Q238-D241 VanDerWaalsContact CB-OD2 3.3Å; Q238-D241 WeakPolarHBondContact CB-OD2 3.4Å; Q238-D241 PolarHBondContact N-OD2 3.24Å; Q238-D241 WeakPolarHBondContact O-CB 3.28Å; Q238-D241 PolarHBondContact O-N 3.06Å
242L83.9Confident88.5Confident33 Ų3375.3 Ų75.317%0.17340%0.399CS..PPolyproline II helixtrans-74.1135.5169-74.8163.2000109.4E240 A244 L247 A276 L277 Y280E240-L242 PolarHBondContact O-N 3.2Å; L242-A244 PolarHBondContact O-N 2.91Å; L242-L247 HydrophobicContact CB-CD1 4.34Å; L242-L247 HydrophobicContact CB-CD2 3.76Å; L242-L247 HydrophobicContact CB-CG 4.06Å; L242-L247 HydrophobicContact CD1-CD2 3.91Å; L242-L247 HydrophobicContact CG-CD2 4.47Å; L242-A276 HydrophobicContact CD2-CB 3.78Å; L242-A276 HydrophobicContact CG-CB 4.5Å; L242-L277 HydrophobicContact CD1-CD2 4.07Å; L242-L277 HydrophobicContact CD2-CD2 3.91Å; L242-L277 HydrophobicContact CD2-CG 4.04Å; L242-L277 HydrophobicContact CG-CD2 4.41Å; L242-Y280 VanDerWaalsContact CD1-CB 3.46Å; L242-Y280 HydrophobicContact CD1-CD2 4.12Å; L242-Y280 HydrophobicContact CD1-CG 3.82Å
243P84.6Confident88.4Confident59 Ų5977.2 Ų77.238%0.38341%0.409SS..PPolyproline II helixtrans-55.4133.5178.3-2533.7000111.5D245 A246 L247 V272P243-D245 PolarHBondContact O-N 2.85Å; P243-A246 HydrophobicContact CB-CB 4.1Å; P243-A246 HydrophobicContact CG-CB 4.46Å; P243-A246 WeakPolarHBondContact O-CA 3.47Å; P243-A246 VanDerWaalsContact O-CB 3.28Å; P243-A246 WeakPolarHBondContact O-CB 3.38Å; P243-A246 PolarHBondContact O-N 3.28Å; P243-L247 PolarHBondContact O-N 3.03Å; P243-V272 HydrophobicContact CG-CG1 3.66Å
244A85.3Confident88.2Confident78 Ų7878.3 Ų78.365%0.64541%0.414SS*.Hα-helixtrans-56.9-37.6-178.500000112.7L242 A246 L247 R248L242-A244 PolarHBondContact O-N 2.91Å; A244-A246 VanDerWaalsContact C-N 3.31Å; A244-A246 PolarHBondContact O-N 3.34Å; A244-L247 PolarHBondContact O-N 2.96Å; A244-R248 PolarHBondContact O-N 3.45Å
245D90Very high88Confident79 Ų7981.8 Ų81.842%0.42244%0.442SS..Hα-helixtrans-65.4-34.1174.9-75.8-37.5000112.4P243 R248 T249 H270P243-D245 PolarHBondContact O-N 2.85Å; D245-R248 PolarHBondContact O-N 3.21Å; D245-R248 IonicContact OD1-CZ 3.11Å; D245-R248 IonicContact OD1-NH1 3.78Å; D245-R248 PolarHBondContact OD1-NH1 3.21Å; D245-R248 IonicContact OD1-NH2 2.76Å; D245-R248 PolarHBondContact OD1-NH2 3.33Å; D245-T249 WeakPolarHBondContact O-CB 3.48Å; D245-T249 PolarHBondContact O-N 3.05Å; D245-T249 PolarHBondContact O-OG1 3.31Å; D245-H270 PolarHBondContact O-NE2 3.36Å
246A92.4Very high88Confident0 Ų086.4 Ų86.40%046%0.464CS..Hα-helixtrans-67-40.9174.100000111.7P243 A244 L250 H270 V272 L277P243-A246 HydrophobicContact CB-CB 4.1Å; P243-A246 HydrophobicContact CG-CB 4.46Å; P243-A246 WeakPolarHBondContact O-CA 3.47Å; P243-A246 VanDerWaalsContact O-CB 3.28Å; P243-A246 WeakPolarHBondContact O-CB 3.38Å; P243-A246 PolarHBondContact O-N 3.28Å; A244-A246 VanDerWaalsContact C-N 3.31Å; A244-A246 PolarHBondContact O-N 3.34Å; A246-L250 WeakPolarHBondContact O-CB 3.4Å; A246-L250 PolarHBondContact O-N 3.11Å; A246-H270 WeakPolarHBondContact CA-CD2 3.48Å; A246-H270 HydrophobicContact CB-CB 3.75Å; A246-V272 HydrophobicContact CB-CG2 4.11Å; A246-L277 HydrophobicContact CB-CD1 4.5Å; A246-L277 HydrophobicContact CB-CD2 4.05Å
247L92.8Very high88.3Confident37 Ų3781.9 Ų81.919%0.19445%0.446CS..Hα-helixtrans-64.5-42.6173.9-61.1-177.2000111.8L242 P243 A244 L250 A251 L277 Y280L242-L247 HydrophobicContact CB-CD1 4.34Å; L242-L247 HydrophobicContact CB-CD2 3.76Å; L242-L247 HydrophobicContact CB-CG 4.06Å; L242-L247 HydrophobicContact CD1-CD2 3.91Å; L242-L247 HydrophobicContact CG-CD2 4.47Å; P243-L247 PolarHBondContact O-N 3.03Å; A244-L247 PolarHBondContact O-N 2.96Å; L247-L250 WeakPolarHBondContact O-CB 3.25Å; L247-L250 PolarHBondContact O-N 2.92Å; L247-A251 PolarHBondContact O-N 2.89Å; L247-L277 HydrophobicContact CD2-CD2 3.88Å; L247-Y280 HydrophobicContact CD1-CE1 4.19Å; L247-Y280 HydrophobicContact CD1-CE2 4.16Å; L247-Y280 HydrophobicContact CD2-CD1 3.47Å; L247-Y280 VanDerWaalsContact CD2-CD1 3.47Å; L247-Y280 HydrophobicContact CD2-CD2 4.33Å; L247-Y280 HydrophobicContact CD2-CE1 3.45Å; L247-Y280 VanDerWaalsContact CD2-CE1 3.45Å; L247-Y280 HydrophobicContact CD2-CE2 4.3Å; L247-Y280 HydrophobicContact CD2-CG 3.94Å; L247-Y280 HydrophobicContact CG-CE1 4.31Å
248R93.6Very high89.1Confident148 Ų14883 Ų8356%0.55845%0.447SS*.Hα-helixtrans-63-47.7176.2-171.1178.174.8-127.1-7111.7A244 D245 L250 A251 L252A244-R248 PolarHBondContact O-N 3.45Å; D245-R248 PolarHBondContact O-N 3.21Å; D245-R248 IonicContact OD1-CZ 3.11Å; D245-R248 IonicContact OD1-NH1 3.78Å; D245-R248 PolarHBondContact OD1-NH1 3.21Å; D245-R248 IonicContact OD1-NH2 2.76Å; D245-R248 PolarHBondContact OD1-NH2 3.33Å; R248-L250 VanDerWaalsContact C-N 3.32Å; R248-L250 PolarHBondContact O-N 3.48Å; R248-A251 PolarHBondContact O-N 3.16Å; R248-L252 HydrophobicContact CG-CD1 4.42Å; R248-L252 WeakPolarHBondContact O-CG 3.47Å; R248-L252 PolarHBondContact O-N 3.35Å
249T96Very high89.9Confident25 Ų2577.8 Ų77.815%0.15342%0.423CS..Hα-helixtrans-61.8-41.8176.3-67.50000111.3D245 A251 L252 L253 A266 I269 H270D245-T249 WeakPolarHBondContact O-CB 3.48Å; D245-T249 PolarHBondContact O-N 3.05Å; D245-T249 PolarHBondContact O-OG1 3.31Å; T249-A251 PolarHBondContact O-N 2.73Å; T249-L252 PolarHBondContact O-N 2.77Å; T249-L253 HydrophobicContact CG2-CD1 3.74Å; T249-L253 HydrophobicContact CG2-CG 4.21Å; T249-L253 WeakPolarHBondContact O-CB 3.47Å; T249-L253 VanDerWaalsContact O-CG 3.26Å; T249-L253 WeakPolarHBondContact O-CG 3.48Å; T249-L253 PolarHBondContact O-N 3.45Å; T249-A266 HydrophobicContact CG2-CB 4.04Å; T249-I269 HydrophobicContact CG2-CD1 3.84Å; T249-H270 VanDerWaalsContact CB-NE2 3.33Å; T249-H270 WeakPolarHBondContact CB-NE2 3.32Å; T249-H270 PolarHBondContact OG1-NE2 2.91Å
250L95.6Very high91.2Very high3 Ų374.6 Ų74.62%0.01641%0.406CS..Hα-helixtrans-58.7-46.3175.1171.961000111.8A246 L247 R248 L253 Q254 L259 A262 A263 A266 L277 A281A246-L250 WeakPolarHBondContact O-CB 3.4Å; A246-L250 PolarHBondContact O-N 3.11Å; L247-L250 WeakPolarHBondContact O-CB 3.25Å; L247-L250 PolarHBondContact O-N 2.92Å; R248-L250 VanDerWaalsContact C-N 3.32Å; R248-L250 PolarHBondContact O-N 3.48Å; L250-L253 PolarHBondContact O-N 3.4Å; L250-Q254 HydrophobicContact CD1-CG 4.05Å; L250-Q254 VanDerWaalsContact CG-NE2 3.33Å; L250-Q254 WeakPolarHBondContact O-CB 3.23Å; L250-Q254 WeakPolarHBondContact O-CG 3.46Å; L250-Q254 PolarHBondContact O-N 2.79Å; L250-L259 HydrophobicContact CD1-CD1 4.39Å; L250-A262 HydrophobicContact CD1-CB 4.1Å; L250-A263 HydrophobicContact CD1-CB 4.07Å; L250-A266 HydrophobicContact CB-CB 3.95Å; L250-L277 HydrophobicContact CD2-CB 4.12Å; L250-L277 HydrophobicContact CD2-CD2 3.94Å; L250-A281 HydrophobicContact CD2-CB 4.19Å
251A94.1Very high92.5Very high63 Ų6371.8 Ų71.852%0.52139%0.391SS..Hα-helixtrans-61.7-44.717800000112.3L247 R248 T249 Q254 A255L247-A251 PolarHBondContact O-N 2.89Å; R248-A251 PolarHBondContact O-N 3.16Å; T249-A251 PolarHBondContact O-N 2.73Å; A251-Q254 PolarHBondContact O-N 3.14Å; A251-A255 PolarHBondContact O-N 3.38Å
252L95.9Very high93.4Very high119 Ų11967.5 Ų67.562%0.62337%0.369SS*.Hα-helixtrans-63.2-41.9176.4-69.8172.4000112.1R248 T249 A255R248-L252 HydrophobicContact CG-CD1 4.42Å; R248-L252 WeakPolarHBondContact O-CG 3.47Å; R248-L252 PolarHBondContact O-N 3.35Å; T249-L252 PolarHBondContact O-N 2.77Å; L252-A255 WeakPolarHBondContact O-CB 3.23Å; L252-A255 PolarHBondContact O-N 3.38Å
253L96.7Very high94Very high39 Ų3966 Ų6620%0.20436%0.36CS..Hα-helixtrans-71.7-31.5178.9-69.9175.1000112.7T249 L250 A255 E256 L257 A262 L265 A266 I269T249-L253 HydrophobicContact CG2-CD1 3.74Å; T249-L253 HydrophobicContact CG2-CG 4.21Å; T249-L253 WeakPolarHBondContact O-CB 3.47Å; T249-L253 VanDerWaalsContact O-CG 3.26Å; T249-L253 WeakPolarHBondContact O-CG 3.48Å; T249-L253 PolarHBondContact O-N 3.45Å; L250-L253 PolarHBondContact O-N 3.4Å; L253-A255 PolarHBondContact O-N 3.41Å; L253-E256 PolarHBondContact O-N 3.02Å; L253-E256 VanDerWaalsContact O-N 3.14Å; L253-L257 HydrophobicContact CD2-CD1 4.14Å; L253-L257 WeakPolarHBondContact O-CB 3.34Å; L253-L257 PolarHBondContact O-N 3.34Å; L253-A262 HydrophobicContact CB-CB 3.73Å; L253-L265 HydrophobicContact CD1-CB 3.79Å; L253-A266 HydrophobicContact CD1-CB 4.23Å; L253-I269 HydrophobicContact CD1-CD1 4.48Å
254Q94.6Very high94.5Very high64 Ų6464.7 Ų64.730%0.29936%0.355SS..Hα-helixtrans-65-25175.8-82.2-174.757.300113.2L250 A251 E256 L259 A262L250-Q254 HydrophobicContact CD1-CG 4.05Å; L250-Q254 VanDerWaalsContact CG-NE2 3.33Å; L250-Q254 WeakPolarHBondContact O-CB 3.23Å; L250-Q254 WeakPolarHBondContact O-CG 3.46Å; L250-Q254 PolarHBondContact O-N 2.79Å; A251-Q254 PolarHBondContact O-N 3.14Å; Q254-E256 PolarHBondContact O-N 2.91Å; Q254-L259 VanDerWaalsContact CD-CD1 3.47Å; Q254-L259 HydrophobicContact CG-CD1 3.93Å; Q254-A262 HydrophobicContact CG-CB 3.79Å
255A93.6Very high95.1Very high79 Ų7963.8 Ų63.865%0.65334%0.339SS*.THydrogen-bonded Turntrans-65.2-25.7173.600000112.6A251 L252 L253A251-A255 PolarHBondContact O-N 3.38Å; L252-A255 WeakPolarHBondContact O-CB 3.23Å; L252-A255 PolarHBondContact O-N 3.38Å; L253-A255 PolarHBondContact O-N 3.41Å
256E96.2Very high95.4Very high160 Ų16060 Ų6075%0.74832%0.319SS*.THydrogen-bonded Turntrans-117.6-19.6-171.9-59.6-60.3152.500113.6L253 Q254L253-E256 PolarHBondContact O-N 3.02Å; L253-E256 VanDerWaalsContact O-N 3.14Å; Q254-E256 PolarHBondContact O-N 2.91Å
257L96.2Very high95.6Very high45 Ų4560.3 Ų60.324%0.23632%0.321CS..SBendtrans-133.7147.9-170.6-59.3175.5000112L253 L259 K261 A262 L265L253-L257 HydrophobicContact CD2-CD1 4.14Å; L253-L257 WeakPolarHBondContact O-CB 3.34Å; L253-L257 PolarHBondContact O-N 3.34Å; L257-L259 PolarHBondContact O-N 3.45Å; L257-K261 HydrophobicContact CD1-CG 4.42Å; L257-K261 HydrophobicContact CD2-CD 4.31Å; L257-A262 HydrophobicContact CB-CB 4.34Å; L257-L265 HydrophobicContact CD1-CD1 3.54Å
258P96Very high95.7Very high96 Ų9666 Ų6662%0.62335%0.347SS*.  trans-54.5140.6170.5-23.932.9000111.5K260 K261 A262P258-K260 PolarHBondContact O-N 2.92Å; P258-K261 WeakPolarHBondContact O-CA 3.17Å; P258-K261 PolarHBondContact O-N 3.48Å; P258-A262 PolarHBondContact O-N 2.89Å
259L94.5Very high95.8Very high27 Ų2764.1 Ų64.114%0.14135%0.347CS..Hα-helixtrans-46.2-44.3-173.2173.958.8000114L250 Q254 L257 K261 A262 A263 Y278 A281 L282L250-L259 HydrophobicContact CD1-CD1 4.39Å; Q254-L259 VanDerWaalsContact CD-CD1 3.47Å; Q254-L259 HydrophobicContact CG-CD1 3.93Å; L257-L259 PolarHBondContact O-N 3.45Å; L259-K261 VanDerWaalsContact C-N 3.29Å; L259-K261 PolarHBondContact O-N 3.35Å; L259-A262 PolarHBondContact O-N 3.06Å; L259-A263 WeakPolarHBondContact O-CB 3.42Å; L259-A263 PolarHBondContact O-N 2.94Å; L259-Y278 HydrophobicContact CB-CE2 4.45Å; L259-Y278 HydrophobicContact CD2-CD2 4.18Å; L259-Y278 HydrophobicContact CD2-CE2 3.79Å; L259-Y278 HydrophobicContact CG-CD2 3.86Å; L259-Y278 HydrophobicContact CG-CE2 3.68Å; L259-A281 HydrophobicContact CD1-CB 3.31Å; L259-A281 HydrophobicContact CD2-CB 4.11Å; L259-A281 HydrophobicContact CG-CB 4.3Å; L259-L282 HydrophobicContact CD2-CD2 3.9Å; L259-L282 HydrophobicContact CD2-CG 4.2Å
260K95.5Very high95.7Very high140 Ų14065.8 Ų65.861%0.60935%0.353SS*.Hα-helixtrans-61.1-35.5180-173.1177.2-180178.50113.1P258 A264 Y278P258-K260 PolarHBondContact O-N 2.92Å; K260-A264 WeakPolarHBondContact O-CB 3.24Å; K260-A264 PolarHBondContact O-N 3.34Å; K260-Y278 HydrophobicContact CB-CE2 4.13Å
261K96.9Very high95.5Very high124 Ų12469.1 Ų69.154%0.53939%0.388SS..Hα-helixtrans-81.8-41.3178.5-169.2175.4178.9-174.80110.8L257 P258 L259 A263 A264 L265L257-K261 HydrophobicContact CD1-CG 4.42Å; L257-K261 HydrophobicContact CD2-CD 4.31Å; P258-K261 WeakPolarHBondContact O-CA 3.17Å; P258-K261 PolarHBondContact O-N 3.48Å; L259-K261 VanDerWaalsContact C-N 3.29Å; L259-K261 PolarHBondContact O-N 3.35Å; K261-A263 PolarHBondContact O-N 2.9Å; K261-A264 PolarHBondContact O-N 3.14Å; K261-L265 HydrophobicContact CG-CD1 4.29Å; K261-L265 WeakPolarHBondContact O-CG 3.33Å; K261-L265 PolarHBondContact O-N 2.95Å
262A96.8Very high95.4Very high0 Ų067.7 Ų67.70%037%0.373CS..Hα-helixtrans-56.6-48.5173.200000111.7L250 L253 Q254 L257 P258 L259 A264 L265 A266L250-A262 HydrophobicContact CD1-CB 4.1Å; L253-A262 HydrophobicContact CB-CB 3.73Å; Q254-A262 HydrophobicContact CG-CB 3.79Å; L257-A262 HydrophobicContact CB-CB 4.34Å; P258-A262 PolarHBondContact O-N 2.89Å; L259-A262 PolarHBondContact O-N 3.06Å; A262-A264 PolarHBondContact O-N 3.42Å; A262-L265 PolarHBondContact O-N 3.41Å; A262-A266 WeakPolarHBondContact O-CB 2.93Å; A262-A266 PolarHBondContact O-N 2.94Å
263A96.3Very high95.2Very high0 Ų070.2 Ų70.20%038%0.378CS..Hα-helixtrans-64.8-35.3177.200000113.7L250 L259 K261 A267 L277 Y278L250-A263 HydrophobicContact CD1-CB 4.07Å; L259-A263 WeakPolarHBondContact O-CB 3.42Å; L259-A263 PolarHBondContact O-N 2.94Å; K261-A263 PolarHBondContact O-N 2.9Å; A263-A267 WeakPolarHBondContact O-CB 3.5Å; A263-A267 PolarHBondContact O-N 2.96Å; A263-L277 HydrophobicContact CB-CB 4.34Å; A263-Y278 HydrophobicContact CB-CD2 4.19Å
264A96.7Very high94.9Very high32 Ų3272.1 Ų72.126%0.26439%0.385SS..Hα-helixtrans-67.4-45.7176.500000112K260 K261 A262 A267 E268 K274K260-A264 WeakPolarHBondContact O-CB 3.24Å; K260-A264 PolarHBondContact O-N 3.34Å; K261-A264 PolarHBondContact O-N 3.14Å; A262-A264 PolarHBondContact O-N 3.42Å; A264-A267 WeakPolarHBondContact O-CB 3.44Å; A264-A267 PolarHBondContact O-N 3.04Å; A264-E268 PolarHBondContact O-N 3.28Å; A264-K274 HydrophobicContact CB-CD 3.91Å; A264-K274 HydrophobicContact CB-CG 4.38Å
265L97Very high94.9Very high59 Ų5975.1 Ų75.131%0.30940%0.403SS..Hα-helixtrans-69.2-43.3179.2-70.8173.2000112L253 L257 K261 A262 A267 E268 I269L253-L265 HydrophobicContact CD1-CB 3.79Å; L257-L265 HydrophobicContact CD1-CD1 3.54Å; K261-L265 HydrophobicContact CG-CD1 4.29Å; K261-L265 WeakPolarHBondContact O-CG 3.33Å; K261-L265 PolarHBondContact O-N 2.95Å; A262-L265 PolarHBondContact O-N 3.41Å; L265-A267 VanDerWaalsContact C-N 3.29Å; L265-A267 PolarHBondContact O-N 2.87Å; L265-E268 PolarHBondContact O-N 3.48Å; L265-I269 WeakPolarHBondContact O-CD1 3.19Å; L265-I269 VanDerWaalsContact O-CG1 3.23Å; L265-I269 WeakPolarHBondContact O-CG1 3.48Å; L265-I269 PolarHBondContact O-N 3.26Å
266A96.4Very high94.8Very high0 Ų073.2 Ų73.20%039%0.388CS..Hα-helixtrans-60.8-39.9175.400000111.8T249 L250 L253 A262 I269 H270 L277T249-A266 HydrophobicContact CG2-CB 4.04Å; L250-A266 HydrophobicContact CB-CB 3.95Å; L253-A266 HydrophobicContact CD1-CB 4.23Å; A262-A266 WeakPolarHBondContact O-CB 2.93Å; A262-A266 PolarHBondContact O-N 2.94Å; A266-I269 PolarHBondContact O-N 2.87Å; A266-H270 PolarHBondContact O-CD2 3.01Å; A266-H270 VanDerWaalsContact O-CD2 3.28Å; A266-H270 PolarHBondContact O-N 3.32Å; A266-H270 VanDerWaalsContact O-N 3.14Å; A266-L277 HydrophobicContact CB-CD1 3.78Å
267A95.5Very high94.6Very high7 Ų765.6 Ų65.66%0.05835%0.352CS..Hα-helixtrans-60.4-44.9173.700000112.8A263 A264 L265 G271 V272 K274 L277A263-A267 WeakPolarHBondContact O-CB 3.5Å; A263-A267 PolarHBondContact O-N 2.96Å; A264-A267 WeakPolarHBondContact O-CB 3.44Å; A264-A267 PolarHBondContact O-N 3.04Å; L265-A267 VanDerWaalsContact C-N 3.29Å; L265-A267 PolarHBondContact O-N 2.87Å; A267-G271 WeakPolarHBondContact O-CA 3.26Å; A267-G271 PolarHBondContact O-N 3.37Å; A267-V272 HydrophobicContact CB-CG2 4.4Å; A267-V272 WeakPolarHBondContact CB-O 3.4Å; A267-V272 PolarHBondContact O-N 3.04Å; A267-K274 HydrophobicContact CB-CB 3.85Å; A267-L277 HydrophobicContact CB-CD1 3.96Å
268E95.8Very high94.4Very high156 Ų15667.5 Ų67.573%0.72936%0.357SS*.Hα-helixtrans-66.6-42.4179.5-171.4174-179.800112.2A264 L265 H270A264-E268 PolarHBondContact O-N 3.28Å; L265-E268 PolarHBondContact O-N 3.48Å; E268-H270 VanDerWaalsContact C-N 3.32Å; E268-H270 PolarHBondContact O-N 2.83Å
269I96.1Very high94.2Very high109 Ų10969 Ų6956%0.55935%0.354SS*.Hα-helixtrans-61.7-40.5178.1-69.3163.9000111.5T249 L253 L265 A266T249-I269 HydrophobicContact CG2-CD1 3.84Å; L253-I269 HydrophobicContact CD1-CD1 4.48Å; L265-I269 WeakPolarHBondContact O-CD1 3.19Å; L265-I269 VanDerWaalsContact O-CG1 3.23Å; L265-I269 WeakPolarHBondContact O-CG1 3.48Å; L265-I269 PolarHBondContact O-N 3.26Å; A266-I269 PolarHBondContact O-N 2.87Å
270H93.6Very high94Very high59 Ų5971.6 Ų71.627%0.27336%0.362SS..Hα-helixtrans-104.92.9-171.4-66.1-74.1000114.5D245 A246 T249 A266 E268 V272D245-H270 PolarHBondContact O-NE2 3.36Å; A246-H270 WeakPolarHBondContact CA-CD2 3.48Å; A246-H270 HydrophobicContact CB-CB 3.75Å; T249-H270 VanDerWaalsContact CB-NE2 3.33Å; T249-H270 WeakPolarHBondContact CB-NE2 3.32Å; T249-H270 PolarHBondContact OG1-NE2 2.91Å; A266-H270 PolarHBondContact O-CD2 3.01Å; A266-H270 VanDerWaalsContact O-CD2 3.28Å; A266-H270 PolarHBondContact O-N 3.32Å; A266-H270 VanDerWaalsContact O-N 3.14Å; E268-H270 VanDerWaalsContact C-N 3.32Å; E268-H270 PolarHBondContact O-N 2.83Å; H270-V272 VanDerWaalsContact C-N 3.27Å; H270-V272 HydrophobicContact CB-CG1 4.49Å; H270-V272 HydrophobicContact CB-CG2 4.41Å; H270-V272 PolarHBondContact O-N 3.37Å
271G91.6Very high93.8Very high73 Ų7365 Ų6575%0.75333%0.334SS*.THydrogen-bonded Turntrans65.125.9-179.900000114.5A267A267-G271 WeakPolarHBondContact O-CA 3.26Å; A267-G271 PolarHBondContact O-N 3.37Å
272V90.7Very high93.5Very high34 Ų3463 Ų6321%0.20633%0.329CS..  trans-105.7163.5-178.5-60.20000113P243 A246 A267 H270 K274 L277P243-V272 HydrophobicContact CG-CG1 3.66Å; A246-V272 HydrophobicContact CB-CG2 4.11Å; A267-V272 HydrophobicContact CB-CG2 4.4Å; A267-V272 WeakPolarHBondContact CB-O 3.4Å; A267-V272 PolarHBondContact O-N 3.04Å; H270-V272 VanDerWaalsContact C-N 3.27Å; H270-V272 HydrophobicContact CB-CG1 4.49Å; H270-V272 HydrophobicContact CB-CG2 4.41Å; H270-V272 PolarHBondContact O-N 3.37Å; V272-K274 PolarHBondContact O-N 3.15Å; V272-L277 HydrophobicContact CG2-CD1 3.48Å; V272-L277 VanDerWaalsContact CG2-CD1 3.48Å; V272-L277 HydrophobicContact CG2-CD2 4.43Å; V272-L277 HydrophobicContact CG2-CG 3.85Å
273K91.6Very high93.2Very high171 Ų17168.4 Ų68.474%0.74335%0.354SS*.  trans-69.7117.7179.6-66.8177.9-176.5169.40110.5N275 A276 L277K273-N275 PolarHBondContact O-N 3.06Å; K273-N275 VanDerWaalsContact O-N 3.14Å; K273-A276 HydrophobicContact CB-CB 4.24Å; K273-A276 WeakPolarHBondContact O-CB 3.42Å; K273-A276 PolarHBondContact O-N 2.9Å; K273-L277 PolarHBondContact O-N 3.48Å
274K92.3Very high92.6Very high80 Ų8074.3 Ų74.335%0.34838%0.382SS..Hα-helixtrans-46.2-44.4173.1174.4-172164.6-1720113.9A264 A267 V272 A276 L277 Y278A264-K274 HydrophobicContact CB-CD 3.91Å; A264-K274 HydrophobicContact CB-CG 4.38Å; A267-K274 HydrophobicContact CB-CB 3.85Å; V272-K274 PolarHBondContact O-N 3.15Å; K274-A276 VanDerWaalsContact C-N 3.26Å; K274-A276 PolarHBondContact O-N 3.42Å; K274-L277 PolarHBondContact O-N 3.29Å; K274-Y278 WeakPolarHBondContact O-CB 3.32Å; K274-Y278 PolarHBondContact O-N 3.22Å
275N92.8Very high91.7Very high126 Ų12678.8 Ų78.867%0.67440%0.397SS*.Hα-helixtrans-65.1-32.1-177.6-70.3-7.3000112.3K273 K279K273-N275 PolarHBondContact O-N 3.06Å; K273-N275 VanDerWaalsContact O-N 3.14Å; N275-K279 VanDerWaalsContact O-CB 3.24Å; N275-K279 WeakPolarHBondContact O-CB 3.43Å; N275-K279 PolarHBondContact O-N 3.41Å
276A91.5Very high89.9Confident40 Ų4081.9 Ų81.933%0.33144%0.443SS..Hα-helixtrans-68.8-48.3176.800000110.7L242 K273 K274 Y278 K279 Y280L242-A276 HydrophobicContact CD2-CB 3.78Å; L242-A276 HydrophobicContact CG-CB 4.5Å; K273-A276 HydrophobicContact CB-CB 4.24Å; K273-A276 WeakPolarHBondContact O-CB 3.42Å; K273-A276 PolarHBondContact O-N 2.9Å; K274-A276 VanDerWaalsContact C-N 3.26Å; K274-A276 PolarHBondContact O-N 3.42Å; A276-Y278 VanDerWaalsContact C-N 3.35Å; A276-Y278 PolarHBondContact O-N 3.4Å; A276-K279 PolarHBondContact O-N 3.02Å; A276-Y280 WeakPolarHBondContact O-CB 3.46Å; A276-Y280 PolarHBondContact O-N 3.15Å
277L92Very high89.6Confident0 Ų086 Ų860%047%0.466CS..Hα-helixtrans-60.9-41.1174.6-76.4176.4000112.9L242 A246 L247 L250 A263 A266 A267 V272 K273 K274 A281L242-L277 HydrophobicContact CD1-CD2 4.07Å; L242-L277 HydrophobicContact CD2-CD2 3.91Å; L242-L277 HydrophobicContact CD2-CG 4.04Å; L242-L277 HydrophobicContact CG-CD2 4.41Å; A246-L277 HydrophobicContact CB-CD1 4.5Å; A246-L277 HydrophobicContact CB-CD2 4.05Å; L247-L277 HydrophobicContact CD2-CD2 3.88Å; L250-L277 HydrophobicContact CD2-CB 4.12Å; L250-L277 HydrophobicContact CD2-CD2 3.94Å; A263-L277 HydrophobicContact CB-CB 4.34Å; A266-L277 HydrophobicContact CB-CD1 3.78Å; A267-L277 HydrophobicContact CB-CD1 3.96Å; V272-L277 HydrophobicContact CG2-CD1 3.48Å; V272-L277 VanDerWaalsContact CG2-CD1 3.48Å; V272-L277 HydrophobicContact CG2-CD2 4.43Å; V272-L277 HydrophobicContact CG2-CG 3.85Å; K273-L277 PolarHBondContact O-N 3.48Å; K274-L277 PolarHBondContact O-N 3.29Å; L277-A281 PolarHBondContact O-N 3.36Å
278Y92.7Very high89.3Confident84 Ų8490.2 Ų90.233%0.32949%0.487SS..Hα-helixtrans-66.4-42.8178.9-174-101.1000111.9L259 K260 A263 K274 A276 A281 L282L259-Y278 HydrophobicContact CB-CE2 4.45Å; L259-Y278 HydrophobicContact CD2-CD2 4.18Å; L259-Y278 HydrophobicContact CD2-CE2 3.79Å; L259-Y278 HydrophobicContact CG-CD2 3.86Å; L259-Y278 HydrophobicContact CG-CE2 3.68Å; K260-Y278 HydrophobicContact CB-CE2 4.13Å; A263-Y278 HydrophobicContact CB-CD2 4.19Å; K274-Y278 WeakPolarHBondContact O-CB 3.32Å; K274-Y278 PolarHBondContact O-N 3.22Å; A276-Y278 VanDerWaalsContact C-N 3.35Å; A276-Y278 PolarHBondContact O-N 3.4Å; Y278-A281 PolarHBondContact O-N 3.34Å; Y278-L282 HydrophobicContact CD1-CD1 3.95Å; Y278-L282 HydrophobicContact CE1-CD1 3.49Å; Y278-L282 VanDerWaalsContact CE1-CD1 3.49Å; Y278-L282 HydrophobicContact CE1-CG 4.21Å; Y278-L282 PolarHBondContact O-N 3.09Å; Y278-L282 VanDerWaalsContact O-N 3.15Å
279K92.5Very high88.9Confident129 Ų12986.5 Ų86.556%0.56147%0.474SS*.Hα-helixtrans-61.8-49.2175.6-177.7-177.7169-169.80110.9N275 A276 A281 L282 E283N275-K279 VanDerWaalsContact O-CB 3.24Å; N275-K279 WeakPolarHBondContact O-CB 3.43Å; N275-K279 PolarHBondContact O-N 3.41Å; A276-K279 PolarHBondContact O-N 3.02Å; K279-A281 VanDerWaalsContact C-N 3.31Å; K279-A281 PolarHBondContact O-N 2.83Å; K279-L282 PolarHBondContact O-N 3.36Å; K279-L282 VanDerWaalsContact O-N 3.15Å; K279-E283 WeakPolarHBondContact CE-OE1 3.48Å; K279-E283 IonicContact NZ-OE1 3.86Å; K279-E283 WeakPolarHBondContact O-CG 3.36Å; K279-E283 PolarHBondContact O-N 3.38Å
280Y90.6Very high88.5Confident80 Ų8085.2 Ų85.231%0.31447%0.469SS..Hα-helixtrans-54.3-46.6176.2174.8-88.8000112.1L242 L247 A276 L282 E283 Q284L242-Y280 VanDerWaalsContact CD1-CB 3.46Å; L242-Y280 HydrophobicContact CD1-CD2 4.12Å; L242-Y280 HydrophobicContact CD1-CG 3.82Å; L247-Y280 HydrophobicContact CD1-CE1 4.19Å; L247-Y280 HydrophobicContact CD1-CE2 4.16Å; L247-Y280 HydrophobicContact CD2-CD1 3.47Å; L247-Y280 VanDerWaalsContact CD2-CD1 3.47Å; L247-Y280 HydrophobicContact CD2-CD2 4.33Å; L247-Y280 HydrophobicContact CD2-CE1 3.45Å; L247-Y280 VanDerWaalsContact CD2-CE1 3.45Å; L247-Y280 HydrophobicContact CD2-CE2 4.3Å; L247-Y280 HydrophobicContact CD2-CG 3.94Å; L247-Y280 HydrophobicContact CG-CE1 4.31Å; A276-Y280 WeakPolarHBondContact O-CB 3.46Å; A276-Y280 PolarHBondContact O-N 3.15Å; Y280-L282 VanDerWaalsContact C-N 3.35Å; Y280-L282 PolarHBondContact O-N 3.41Å; Y280-E283 PolarHBondContact O-N 3.27Å; Y280-Q284 HydrophobicContact CD1-CG 4.15Å; Y280-Q284 HydrophobicContact CE1-CG 3.69Å; Y280-Q284 HydrophobicContact CE2-CG 4.35Å; Y280-Q284 WeakPolarHBondContact O-CG 3.34Å; Y280-Q284 PolarHBondContact O-N 3.45Å; Y280-Q284 VanDerWaalsContact O-N 3.09Å
281A90.3Very high88.2Confident3 Ų386.8 Ų86.83%0.02548%0.481CS..Hα-helixtrans-64.9-35.7179.700000114L250 L259 L277 Y278 K279 E283 Q284 Q285L250-A281 HydrophobicContact CD2-CB 4.19Å; L259-A281 HydrophobicContact CD1-CB 3.31Å; L259-A281 HydrophobicContact CD2-CB 4.11Å; L259-A281 HydrophobicContact CG-CB 4.3Å; L277-A281 PolarHBondContact O-N 3.36Å; Y278-A281 PolarHBondContact O-N 3.34Å; K279-A281 VanDerWaalsContact C-N 3.31Å; K279-A281 PolarHBondContact O-N 2.83Å; A281-E283 VanDerWaalsContact C-N 3.34Å; A281-Q284 PolarHBondContact O-N 3.36Å; A281-Q285 WeakPolarHBondContact O-CG 3.46Å; A281-Q285 PolarHBondContact O-N 3.14Å
282L91Very high87.9Confident82 Ų8287.7 Ų87.743%0.42946%0.463SS..Hα-helixtrans-66.2-39.6174.8-74.8175.4000111.3L259 Y278 K279 Y280 Q284 Q285L259-L282 HydrophobicContact CD2-CD2 3.9Å; L259-L282 HydrophobicContact CD2-CG 4.2Å; Y278-L282 HydrophobicContact CD1-CD1 3.95Å; Y278-L282 HydrophobicContact CE1-CD1 3.49Å; Y278-L282 VanDerWaalsContact CE1-CD1 3.49Å; Y278-L282 HydrophobicContact CE1-CG 4.21Å; Y278-L282 PolarHBondContact O-N 3.09Å; Y278-L282 VanDerWaalsContact O-N 3.15Å; K279-L282 PolarHBondContact O-N 3.36Å; K279-L282 VanDerWaalsContact O-N 3.15Å; Y280-L282 VanDerWaalsContact C-N 3.35Å; Y280-L282 PolarHBondContact O-N 3.41Å; L282-Q284 VanDerWaalsContact C-N 3.27Å; L282-Q284 PolarHBondContact O-N 3.46Å; L282-Q285 PolarHBondContact O-N 3.42Å
283E90Very high87.7Confident112 Ų11291.6 Ų91.652%0.52348%0.481SS..Hα-helixtrans-66.6-27.3176.9-70.6170.5173.700112.6K279 Y280 A281K279-E283 WeakPolarHBondContact CE-OE1 3.48Å; K279-E283 IonicContact NZ-OE1 3.86Å; K279-E283 WeakPolarHBondContact O-CG 3.36Å; K279-E283 PolarHBondContact O-N 3.38Å; Y280-E283 PolarHBondContact O-N 3.27Å; A281-E283 VanDerWaalsContact C-N 3.34Å
284Q83.3Confident87.4Confident125 Ų12585.5 Ų85.558%0.58446%0.461SS*.THydrogen-bonded Turntrans-83.3-11.9175.9-65-64.9-35.300114.2Y280 A281 L282Y280-Q284 HydrophobicContact CD1-CG 4.15Å; Y280-Q284 HydrophobicContact CE1-CG 3.69Å; Y280-Q284 HydrophobicContact CE2-CG 4.35Å; Y280-Q284 WeakPolarHBondContact O-CG 3.34Å; Y280-Q284 PolarHBondContact O-N 3.45Å; Y280-Q284 VanDerWaalsContact O-N 3.09Å; A281-Q284 PolarHBondContact O-N 3.36Å; L282-Q284 VanDerWaalsContact C-N 3.27Å; L282-Q284 PolarHBondContact O-N 3.46Å
285Q78.2Confident87Confident125 Ų12585.9 Ų85.958%0.58447%0.47SS*.THydrogen-bonded Turntrans-91.9-17.3177.6-74.9-179.6-100113.5A281 L282A281-Q285 WeakPolarHBondContact O-CG 3.46Å; A281-Q285 PolarHBondContact O-N 3.14Å; L282-Q285 PolarHBondContact O-N 3.42Å
286G59.5Low86.5Confident125 Ų12582.3 Ų82.3100%1.28945%0.452SS*.  trans-88.90177.100000111.9

Retrieved 286 of 286 residues in 171.9 ms (Link to these results)

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