A0A060XRI0_ONCMY Loading...

Ribose-phosphate pyrophosphokinase 2

AlphaFold DB , UniProt , Accession A0A060XRI0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 318 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
1M62.3Low90.5Very high188 Ų18843.1 Ų43.193%0.92624%0.24SC*.  0144.60-74.5168.3-178.200106.7
2P77.2Confident90.2Very high52 Ų5240 Ų4034%0.33822%0.223SC..PPolyproline II helixtrans-54.6151.3170.126.3-34.3000109.5G50 D52 H304P2-G50 WeakPolarHBondContact CB-O 3.16Å; P2-D52 HydrophobicContact CB-CB 4.23Å; P2-D52 HydrophobicContact CG-CB 4.04Å; P2-H304 PolarHBondContact O-CE1 3.01Å; P2-H304 PolarHBondContact O-NE2 2.75Å
3N91.1Very high90.3Very high104 Ų10446.3 Ų46.356%0.55625%0.249SC*.PPolyproline II helixtrans-76.3153.8171.8-52.6-55.9000109.2E51 D52N3-E51 VanDerWaalsContact CA-OE2 3.23Å; N3-E51 WeakPolarHBondContact CA-OE2 3.32Å; N3-E51 WeakPolarHBondContact CB-OE2 2.92Å; N3-E51 PolarHBondContact N-OE2 3.41Å; N3-E51 PolarHBondContact ND2-OE1 3.39Å; N3-E51 VanDerWaalsContact ND2-OE1 3.08Å; N3-E51 PolarHBondContact ND2-OE2 3.08Å; N3-D52 PolarHBondContact O-N 3.07Å
4I96.4Very high90.7Very high38 Ų3847.6 Ų47.620%0.19526%0.256CS..EExtended strand (participates in β ladder)trans-83132.2173.3-179.4165.8000109.8L23 L25 Y54 I300I4-L23 HydrophobicContact CD1-CD1 4.21Å; I4-L25 HydrophobicContact CB-CD1 4.35Å; I4-L25 HydrophobicContact CD1-CD1 3.96Å; I4-L25 HydrophobicContact CG1-CD1 3.88Å; I4-L25 HydrophobicContact CG2-CD1 3.62Å; I4-L25 HydrophobicContact CG2-CD2 3.92Å; I4-L25 HydrophobicContact CG2-CG 4.39Å; I4-Y54 HydrophobicContact CD1-CD2 4.02Å; I4-Y54 HydrophobicContact CD1-CE2 3.89Å; I4-Y54 HydrophobicContact CG1-CD2 3.83Å; I4-Y54 HydrophobicContact CG1-CE2 3.86Å; I4-I300 HydrophobicContact CD1-CG2 3.43Å; I4-I300 VanDerWaalsContact CD1-CG2 3.43Å
5V97.4Very high91.1Very high15 Ų1544.5 Ų44.59%0.09124%0.239CC..EExtended strand (participates in β ladder)trans-128.2128.7172.3-177.40000109F7 E51 D52 V53 Y54V5-F7 HydrophobicContact CB-CE2 4.38Å; V5-F7 HydrophobicContact CG1-CD2 4.05Å; V5-F7 HydrophobicContact CG1-CE1 4.44Å; V5-F7 HydrophobicContact CG1-CE2 3.39Å; V5-F7 HydrophobicContact CG1-CZ 3.61Å; V5-E51 HydrophobicContact CG2-CB 3.84Å; V5-E51 HydrophobicContact CG2-CG 4.02Å; V5-D52 PolarHBondContact N-O 3.15Å; V5-V53 CarbonylContact O-C 3.51Å; V5-V53 WeakPolarHBondContact O-CA 3.46Å; V5-Y54 PolarHBondContact O-N 3.42Å
6L98.1Very high91.4Very high1 Ų141.8 Ų41.81%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-114.3120.4-178.9-172.569.1000110.1V19 A20 L23 L27 G28 Y54 V56 I300L6-V19 HydrophobicContact CD2-CB 4.3Å; L6-V19 HydrophobicContact CD2-CG1 3.82Å; L6-A20 HydrophobicContact CD2-CB 3.9Å; L6-L23 HydrophobicContact CD2-CD1 4.46Å; L6-L27 HydrophobicContact CB-CD2 4.45Å; L6-L27 HydrophobicContact CD2-CD2 3.9Å; L6-L27 HydrophobicContact CG-CD2 3.96Å; L6-L27 WeakPolarHBondContact O-CA 3.42Å; L6-G28 PolarHBondContact O-N 2.82Å; L6-Y54 CarbonylContact C-O 3.52Å; L6-Y54 WeakPolarHBondContact CA-O 3.17Å; L6-V56 HydrophobicContact CD1-CG2 3.63Å; L6-V56 HydrophobicContact CG-CG2 4.39Å; L6-I300 HydrophobicContact CD1-CD1 4.15Å
7F98.3Very high91.8Very high0 Ų043.7 Ų43.70%023%0.232CC..EExtended strand (participates in β ladder)trans-107.9148.3171.4-64.7-81000110.9V5 G28 V30 I44 E46 V48 V53 Y54 I55 V56 M73V5-F7 HydrophobicContact CB-CE2 4.38Å; V5-F7 HydrophobicContact CG1-CD2 4.05Å; V5-F7 HydrophobicContact CG1-CE1 4.44Å; V5-F7 HydrophobicContact CG1-CE2 3.39Å; V5-F7 HydrophobicContact CG1-CZ 3.61Å; F7-G28 WeakPolarHBondContact CD1-O 3.46Å; F7-V30 HydrophobicContact CD1-CB 4.09Å; F7-V30 HydrophobicContact CD1-CG1 4.38Å; F7-I44 HydrophobicContact CE1-CG2 3.95Å; F7-I44 HydrophobicContact CE2-CG2 4.47Å; F7-I44 HydrophobicContact CZ-CG2 3.66Å; F7-E46 HydrophobicContact CE1-CG 4.34Å; F7-E46 HydrophobicContact CZ-CG 4.14Å; F7-V48 HydrophobicContact CE2-CG1 3.58Å; F7-V48 HydrophobicContact CZ-CG1 3.56Å; F7-V53 HydrophobicContact CD2-CG1 3.71Å; F7-V53 HydrophobicContact CE2-CG1 3.87Å; F7-Y54 PolarHBondContact N-O 2.74Å; F7-I55 HydrophobicContact CB-CG1 4.46Å; F7-V56 PolarHBondContact O-N 2.97Å; F7-M73 HydrophobicContact CB-CE 3.62Å; F7-M73 HydrophobicContact CG-CE 4.4Å
8S97.4Very high92.1Very high9 Ų945 Ų456%0.06324%0.235CC..EExtended strand (participates in β ladder)trans-102.9136.6167.9-171.70000109.9S16S8-S16 WeakPolarHBondContact CB-OG 3.3Å; S8-S16 WeakPolarHBondContact OG-CB 3.45Å; S8-S16 PolarHBondContact OG-OG 3.08Å
9G94.8Very high92.5Very high0 Ų042.6 Ų42.60%022%0.223CC..  trans-76.9-174.2156.500000111.9V56 Q57G9-V56 PolarHBondContact N-O 3.37Å; G9-Q57 VanDerWaalsContact CA-OE1 3.3Å
10S93.4Very high92.7Very high54 Ų5440.5 Ų40.538%0.37821%0.212SC..SBendtrans-81.1-14.8-179.364.70000114.3H12 N66 E69S10-H12 PolarHBondContact O-N 2.8Å; S10-N66 PolarHBondContact OG-OD1 3.42Å; S10-E69 VanDerWaalsContact CB-OE2 3.26Å; S10-E69 WeakPolarHBondContact CB-OE2 3.33Å; S10-E69 PolarHBondContact N-OE2 3.45Å; S10-E69 VanDerWaalsContact OG-CD 3.27Å; S10-E69 PolarHBondContact OG-OE1 3.48Å; S10-E69 PolarHBondContact OG-OE2 2.94Å
11S89.4Confident93Very high13 Ų1343.3 Ų43.39%0.09123%0.227CC..SBendtrans-68-34.5-173.365.90000114.5Q57 S58 N66 P276S11-Q57 PolarHBondContact OG-OE1 2.88Å; S11-S58 WeakPolarHBondContact CB-O 3.44Å; S11-S58 PolarHBondContact OG-N 3.28Å; S11-S58 PolarHBondContact OG-O 2.95Å; S11-N66 WeakPolarHBondContact CB-ND2 3.39Å; S11-P276 WeakPolarHBondContact O-CG 3.15Å
12H87.1Confident94.6Very high6 Ų639.8 Ų39.83%0.02820%0.203CC..  trans-16070.5-171.1-159.9-8.1000113.5S10 D14 L15 S16 N273 P276S10-H12 PolarHBondContact O-N 2.8Å; H12-D14 VanDerWaalsContact C-N 3.33Å; H12-D14 IonicContact CE1-OD2 2.74Å; H12-D14 PolarHBondContact O-N 3.19Å; H12-L15 HydrophobicContact CB-CB 4.4Å; H12-L15 VanDerWaalsContact CD2-CB 3.49Å; H12-L15 WeakPolarHBondContact CD2-CB 3.46Å; H12-L15 PolarHBondContact CE1-N 2.94Å; H12-L15 PolarHBondContact ND1-N 3.31Å; H12-L15 WeakPolarHBondContact NE2-CB 3.22Å; H12-L15 PolarHBondContact O-N 2.87Å; H12-S16 PolarHBondContact O-N 3.36Å; H12-S16 PolarHBondContact O-OG 3.32Å; H12-S16 VanDerWaalsContact O-OG 3.09Å; H12-N273 PolarHBondContact CD2-O 3.41Å; H12-N273 VanDerWaalsContact CD2-O 3.26Å; H12-N273 PolarHBondContact NE2-O 3.18Å; H12-P276 HydrophobicContact CB-CG 4.06Å
13Q91.3Very high95.6Very high122 Ų12239.1 Ų39.157%0.5720%0.197SC*.Hα-helixtrans-65-32.7-178.9-68.9-176.7-4.100113.6S16 Q17Q13-S16 PolarHBondContact O-N 3.42Å; Q13-Q17 WeakPolarHBondContact O-CB 3.17Å; Q13-Q17 PolarHBondContact O-N 2.8Å
14D95.5Very high95.8Very high65 Ų6537.4 Ų37.435%0.34820%0.204SC..Hα-helixtrans-62.1-46.1178.5171.779.8000111.5H12 Q17 K18H12-D14 VanDerWaalsContact C-N 3.33Å; H12-D14 IonicContact CE1-OD2 2.74Å; H12-D14 PolarHBondContact O-N 3.19Å; D14-Q17 PolarHBondContact O-N 3.31Å; D14-K18 WeakPolarHBondContact O-CG 3.42Å; D14-K18 PolarHBondContact O-N 2.86Å; D14-K18 WeakPolarHBondContact OD1-CE 3.26Å; D14-K18 IonicContact OD1-NZ 2.92Å; D14-K18 PolarHBondContact OD1-NZ 3.01Å; D14-K18 VanDerWaalsContact OD2-CE 3.29Å; D14-K18 WeakPolarHBondContact OD2-CE 3.23Å; D14-K18 IonicContact OD2-NZ 3.86Å; D14-K18 PolarHBondContact OD2-NZ 2.71Å
15L96.6Very high95.9Very high0 Ų037.8 Ų37.80%021%0.206CC..Hα-helixtrans-65-43.8176.6178.562.1000111.4H12 Q17 K18 V19 P90 I292 A293 L296H12-L15 HydrophobicContact CB-CB 4.4Å; H12-L15 VanDerWaalsContact CD2-CB 3.49Å; H12-L15 WeakPolarHBondContact CD2-CB 3.46Å; H12-L15 PolarHBondContact CE1-N 2.94Å; H12-L15 PolarHBondContact ND1-N 3.31Å; H12-L15 WeakPolarHBondContact NE2-CB 3.22Å; H12-L15 PolarHBondContact O-N 2.87Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 3.42Å; L15-K18 PolarHBondContact O-N 3.46Å; L15-V19 HydrophobicContact CD1-CG2 4.29Å; L15-V19 VanDerWaalsContact O-CG2 3.29Å; L15-V19 WeakPolarHBondContact O-CG2 3.08Å; L15-V19 PolarHBondContact O-N 2.93Å; L15-P90 HydrophobicContact CD2-CB 4.22Å; L15-P90 HydrophobicContact CD2-CG 3.71Å; L15-I292 HydrophobicContact CD1-CD1 3.6Å; L15-I292 HydrophobicContact CD2-CD1 3.98Å; L15-I292 HydrophobicContact CG-CD1 4.45Å; L15-A293 HydrophobicContact CD1-CB 3.91Å; L15-L296 HydrophobicContact CD1-CD1 4.16Å; L15-L296 HydrophobicContact CD2-CD1 3.87Å; L15-L296 HydrophobicContact CG-CD1 4.23Å
16S97.1Very high95.8Very high1 Ų145.4 Ų45.41%0.00724%0.241CC..Hα-helixtrans-58.7-42.5177-56.50000111.8S8 H12 Q13 V19 A20 V56S8-S16 WeakPolarHBondContact CB-OG 3.3Å; S8-S16 WeakPolarHBondContact OG-CB 3.45Å; S8-S16 PolarHBondContact OG-OG 3.08Å; H12-S16 PolarHBondContact O-N 3.36Å; H12-S16 PolarHBondContact O-OG 3.32Å; H12-S16 VanDerWaalsContact O-OG 3.09Å; Q13-S16 PolarHBondContact O-N 3.42Å; S16-V19 PolarHBondContact O-N 3.17Å; S16-A20 WeakPolarHBondContact O-CB 3.44Å; S16-A20 PolarHBondContact O-N 3.47Å; S16-V56 WeakPolarHBondContact OG-CB 3.45Å; S16-V56 WeakPolarHBondContact OG-CG1 3.37Å
17Q97.6Very high95.8Very high75 Ų7547.3 Ų47.335%0.3525%0.251SS..Hα-helixtrans-65.8-45.1177.2-17161.755.900111.4Q13 D14 L15 V19 A20 D21 L27Q13-Q17 WeakPolarHBondContact O-CB 3.17Å; Q13-Q17 PolarHBondContact O-N 2.8Å; D14-Q17 PolarHBondContact O-N 3.31Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 3.42Å; Q17-V19 VanDerWaalsContact C-N 3.25Å; Q17-V19 PolarHBondContact O-N 2.85Å; Q17-A20 WeakPolarHBondContact O-CB 3.47Å; Q17-A20 PolarHBondContact O-N 2.78Å; Q17-A20 VanDerWaalsContact O-N 3.11Å; Q17-D21 PolarHBondContact NE2-OD1 2.85Å; Q17-D21 PolarHBondContact O-N 2.78Å; Q17-L27 HydrophobicContact CB-CD1 4.37Å
18K97.9Very high95.7Very high67 Ų6747.7 Ų47.729%0.29126%0.255SS..Hα-helixtrans-59.9-36.1175.7-73.4171178.5161.70112.6D14 L15 R22 A293D14-K18 WeakPolarHBondContact O-CG 3.42Å; D14-K18 PolarHBondContact O-N 2.86Å; D14-K18 WeakPolarHBondContact OD1-CE 3.26Å; D14-K18 IonicContact OD1-NZ 2.92Å; D14-K18 PolarHBondContact OD1-NZ 3.01Å; D14-K18 VanDerWaalsContact OD2-CE 3.29Å; D14-K18 WeakPolarHBondContact OD2-CE 3.23Å; D14-K18 IonicContact OD2-NZ 3.86Å; D14-K18 PolarHBondContact OD2-NZ 2.71Å; L15-K18 PolarHBondContact O-N 3.46Å; K18-R22 WeakPolarHBondContact O-CB 3.41Å; K18-R22 VanDerWaalsContact O-CG 3.24Å; K18-R22 WeakPolarHBondContact O-CG 3.32Å; K18-R22 PolarHBondContact O-N 3.4Å; K18-A293 HydrophobicContact CB-CB 3.6Å
19V98Very high95.7Very high0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-68.9-44.1174.7172.20000110.7L6 L15 S16 Q17 R22 L23 A293 L296 A297 I300L6-V19 HydrophobicContact CD2-CB 4.3Å; L6-V19 HydrophobicContact CD2-CG1 3.82Å; L15-V19 HydrophobicContact CD1-CG2 4.29Å; L15-V19 VanDerWaalsContact O-CG2 3.29Å; L15-V19 WeakPolarHBondContact O-CG2 3.08Å; L15-V19 PolarHBondContact O-N 2.93Å; S16-V19 PolarHBondContact O-N 3.17Å; Q17-V19 VanDerWaalsContact C-N 3.25Å; Q17-V19 PolarHBondContact O-N 2.85Å; V19-R22 PolarHBondContact O-N 2.75Å; V19-L23 HydrophobicContact CG1-CD1 4.04Å; V19-L23 WeakPolarHBondContact O-CG 3.37Å; V19-L23 PolarHBondContact O-N 3.14Å; V19-L23 VanDerWaalsContact O-N 3.1Å; V19-A293 HydrophobicContact CG2-CB 4.12Å; V19-L296 HydrophobicContact CG2-CB 3.92Å; V19-L296 HydrophobicContact CG2-CD1 4.36Å; V19-A297 HydrophobicContact CG1-CB 4.2Å; V19-I300 HydrophobicContact CG1-CD1 3.65Å
20A97.8Very high95.8Very high0 Ų056 Ų560%029%0.293CS..Hα-helixtrans-57.9-49.5175.200000111.8L6 S16 Q17 R22 L23 G24 L25 L27L6-A20 HydrophobicContact CD2-CB 3.9Å; S16-A20 WeakPolarHBondContact O-CB 3.44Å; S16-A20 PolarHBondContact O-N 3.47Å; Q17-A20 WeakPolarHBondContact O-CB 3.47Å; Q17-A20 PolarHBondContact O-N 2.78Å; Q17-A20 VanDerWaalsContact O-N 3.11Å; A20-R22 VanDerWaalsContact C-N 3.31Å; A20-R22 PolarHBondContact O-N 3.05Å; A20-L23 CarbonylContact O-C 3.6Å; A20-L23 PolarHBondContact O-N 2.76Å; A20-G24 PolarHBondContact O-N 3.2Å; A20-L25 CarbonylContact C-O 3.59Å; A20-L25 WeakPolarHBondContact CB-O 3.32Å; A20-L25 PolarHBondContact O-N 3.18Å; A20-L27 HydrophobicContact CB-CD2 3.93Å; A20-L27 HydrophobicContact CB-CG 4.05Å
21D97.9Very high95.9Very high100 Ų10057.8 Ų57.854%0.53530%0.297SS..Hα-helixtrans-58.5-42.6-179.6-65.1-16.6000111.4Q17 L23 G24Q17-D21 PolarHBondContact NE2-OD1 2.85Å; Q17-D21 PolarHBondContact O-N 2.78Å; D21-L23 VanDerWaalsContact C-N 3.32Å; D21-L23 PolarHBondContact O-N 2.86Å; D21-G24 PolarHBondContact O-N 2.72Å; D21-G24 VanDerWaalsContact O-N 3.13Å
22R97.3Very high96.1Very high113 Ų11359.1 Ų59.143%0.42630%0.304SS..Hα-helixtrans-70-27.1178.4-71.8177.6-177.6-80.86.2113.3K18 V19 A20 G24 D291 M294 A297K18-R22 WeakPolarHBondContact O-CB 3.41Å; K18-R22 VanDerWaalsContact O-CG 3.24Å; K18-R22 WeakPolarHBondContact O-CG 3.32Å; K18-R22 PolarHBondContact O-N 3.4Å; V19-R22 PolarHBondContact O-N 2.75Å; A20-R22 VanDerWaalsContact C-N 3.31Å; A20-R22 PolarHBondContact O-N 3.05Å; R22-G24 VanDerWaalsContact C-N 3.32Å; R22-D291 IonicContact CZ-OD2 3.7Å; R22-D291 IonicContact NE-OD2 2.78Å; R22-D291 IonicContact NH2-OD2 3.77Å; R22-D291 PolarHBondContact NH2-OD2 3.09Å; R22-M294 HydrophobicContact CB-SD 4.44Å; R22-M294 HydrophobicContact CG-SD 4.22Å; R22-M294 PolarHBondContact NH1-SD 3.13Å; R22-A297 HydrophobicContact CB-CB 3.78Å
23L96.9Very high96.4Very high38 Ų3863.8 Ų63.820%0.19933%0.325CS..Hα-helixtrans-83.7-8.9172.6-69.7171.9000112.7I4 L6 V19 A20 D21 L25 A297 I300 R301I4-L23 HydrophobicContact CD1-CD1 4.21Å; L6-L23 HydrophobicContact CD2-CD1 4.46Å; V19-L23 HydrophobicContact CG1-CD1 4.04Å; V19-L23 WeakPolarHBondContact O-CG 3.37Å; V19-L23 PolarHBondContact O-N 3.14Å; V19-L23 VanDerWaalsContact O-N 3.1Å; A20-L23 CarbonylContact O-C 3.6Å; A20-L23 PolarHBondContact O-N 2.76Å; D21-L23 VanDerWaalsContact C-N 3.32Å; D21-L23 PolarHBondContact O-N 2.86Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 HydrophobicContact CB-CB 4.42Å; L23-L25 HydrophobicContact CB-CD1 3.77Å; L23-L25 HydrophobicContact CB-CG 3.83Å; L23-L25 HydrophobicContact CD1-CD1 4.06Å; L23-A297 HydrophobicContact CD2-CB 4.27Å; L23-A297 WeakPolarHBondContact CD2-O 3.48Å; L23-A297 HydrophobicContact CG-CB 4.07Å; L23-I300 HydrophobicContact CD1-CB 4.29Å; L23-I300 HydrophobicContact CD1-CD1 4.44Å; L23-I300 HydrophobicContact CD1-CG2 3.78Å; L23-R301 HydrophobicContact CD2-CB 3.97Å
24G96.8Very high96.6Very high68 Ų6862.5 Ų62.570%0.70132%0.317SS*.THydrogen-bonded Turntrans68.332-172.700000112.9A20 D21 R22A20-G24 PolarHBondContact O-N 3.2Å; D21-G24 PolarHBondContact O-N 2.72Å; D21-G24 VanDerWaalsContact O-N 3.13Å; R22-G24 VanDerWaalsContact C-N 3.32Å
25L96.6Very high96.6Very high47 Ų4763.7 Ų63.725%0.24632%0.32CS..  trans-115.7158.9-178.2-58.5174.9000110.8I4 A20 L23I4-L25 HydrophobicContact CB-CD1 4.35Å; I4-L25 HydrophobicContact CD1-CD1 3.96Å; I4-L25 HydrophobicContact CG1-CD1 3.88Å; I4-L25 HydrophobicContact CG2-CD1 3.62Å; I4-L25 HydrophobicContact CG2-CD2 3.92Å; I4-L25 HydrophobicContact CG2-CG 4.39Å; A20-L25 CarbonylContact C-O 3.59Å; A20-L25 WeakPolarHBondContact CB-O 3.32Å; A20-L25 PolarHBondContact O-N 3.18Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L25 HydrophobicContact CB-CB 4.42Å; L23-L25 HydrophobicContact CB-CD1 3.77Å; L23-L25 HydrophobicContact CB-CG 3.83Å; L23-L25 HydrophobicContact CD1-CD1 4.06Å
26E97.2Very high96.6Very high174 Ų17469.8 Ų69.881%0.81336%0.362SS*.PPolyproline II helixtrans-94.3151.4162.1-65.7-176.7176.500109.3G28E26-G28 PolarHBondContact O-N 3.31Å
27L97.6Very high96.5Very high42 Ų4274.3 Ų74.322%0.2239%0.386CS..BIsolated β-bridgetrans-67.2133.1170.8-70.6176.3000109.9L6 Q17 A20L6-L27 HydrophobicContact CB-CD2 4.45Å; L6-L27 HydrophobicContact CD2-CD2 3.9Å; L6-L27 HydrophobicContact CG-CD2 3.96Å; L6-L27 WeakPolarHBondContact O-CA 3.42Å; Q17-L27 HydrophobicContact CB-CD1 4.37Å; A20-L27 HydrophobicContact CB-CD2 3.93Å; A20-L27 HydrophobicContact CB-CG 4.05Å
28G96.6Very high96.4Very high8 Ų876.6 Ų76.68%0.08240%0.397CS..PPolyproline II helixtrans-59.9145.2175.400000111.5L6 F7 E26 V30 E46L6-G28 PolarHBondContact O-N 2.82Å; F7-G28 WeakPolarHBondContact CD1-O 3.46Å; E26-G28 PolarHBondContact O-N 3.31Å; G28-V30 PolarHBondContact O-N 3.36Å; G28-E46 WeakPolarHBondContact CA-OE1 3.43Å
29K96.3Very high96.4Very high146 Ų14679 Ų7964%0.63541%0.409SS*.PPolyproline II helixtrans-69.9116.3-178.4-64.8174.3-173.9170.90109.4G45 E46K29-G45 WeakPolarHBondContact O-CA 3.46Å; K29-G45 PolarHBondContact O-N 3.45Å; K29-E46 PolarHBondContact N-OE1 2.72Å
30V96.8Very high96.4Very high37 Ų3780.1 Ų80.122%0.22442%0.416CS..EExtended strand (participates in β ladder)trans-134.7137172.561.90000109.6F7 G28 T32 V42 E43 I44 M73F7-V30 HydrophobicContact CD1-CB 4.09Å; F7-V30 HydrophobicContact CD1-CG1 4.38Å; G28-V30 PolarHBondContact O-N 3.36Å; V30-T32 HydrophobicContact CG1-CG2 4.31Å; V30-T32 HydrophobicContact CG2-CG2 3.75Å; V30-V42 HydrophobicContact CG2-CG1 3.9Å; V30-E43 WeakPolarHBondContact CA-O 3.26Å; V30-I44 HydrophobicContact CG2-CD1 4.14Å; V30-M73 HydrophobicContact CG1-CE 4.46Å; V30-M73 HydrophobicContact CG2-CE 4.27Å
31I95.8Very high96.4Very high91 Ų9181.4 Ų81.447%0.46743%0.425SS..EExtended strand (participates in β ladder)trans-101.2105.6170.4-56.7173.1000107V42 E43I31-V42 CarbonylContact O-C 3.6Å; I31-V42 WeakPolarHBondContact O-CA 3.44Å; I31-E43 HydrophobicContact CB-CB 4.28Å; I31-E43 PolarHBondContact N-O 3Å; I31-E43 PolarHBondContact O-N 3.14Å
32T93.8Very high96.4Very high41 Ų4177.9 Ų77.925%0.25241%0.407SS..EExtended strand (participates in β ladder)trans-107.8121.7173.354.70000109.6V30 C41 V42 E69V30-T32 HydrophobicContact CG1-CG2 4.31Å; V30-T32 HydrophobicContact CG2-CG2 3.75Å; T32-C41 WeakPolarHBondContact CA-O 3.14Å; T32-V42 HydrophobicContact CG2-CG2 4.37Å; T32-E69 WeakPolarHBondContact CB-OE1 3.38Å; T32-E69 HydrophobicContact CG2-CG 4.47Å
33K94.1Very high96.4Very high104 Ų10478 Ų7845%0.45241%0.412SS..EExtended strand (participates in β ladder)trans-143.8160.2176.867.1-173.3176.7-169.60111.2C41K33-C41 VanDerWaalsContact CE-SG 3.58Å; K33-C41 HydrophobicContact CG-CB 3.82Å; K33-C41 PolarHBondContact N-O 2.97Å; K33-C41 PolarHBondContact O-N 3.22Å
34K94.9Very high96.4Very high96 Ų9677.8 Ų77.842%0.41741%0.411SS..EExtended strand (participates in β ladder)trans-103.4133.8167.2-73.5-173.6-177.3169.10110.6E39 D65K34-E39 CarbonylContact C-O 3.49Å; K34-E39 WeakPolarHBondContact CA-O 3.5Å; K34-D65 VanDerWaalsContact NZ-CG 3.25Å; K34-D65 IonicContact NZ-OD2 2.66Å; K34-D65 PolarHBondContact NZ-OD2 3Å
35F95.2Very high96.4Very high90 Ų9076.7 Ų76.740%0.39540%0.4SS..  trans-71.1164.4168-66.9-49.3000110.7N37 Q38 E39 C41F35-N37 VanDerWaalsContact CB-OD1 3.26Å; F35-N37 WeakPolarHBondContact CB-OD1 3.46Å; F35-N37 PolarHBondContact O-N 2.9Å; F35-N37 VanDerWaalsContact O-N 3.11Å; F35-Q38 PolarHBondContact O-N 2.83Å; F35-E39 HydrophobicContact CB-CB 4.41Å; F35-E39 HydrophobicContact CD2-CB 3.93Å; F35-E39 PolarHBondContact N-O 3.23Å; F35-C41 HydrophobicContact CD2-CB 4.15Å; F35-C41 HydrophobicContact CE1-CB 4.12Å; F35-C41 HydrophobicContact CE2-CB 3.57Å; F35-C41 HydrophobicContact CZ-CB 3.55Å; F35-C41 VanDerWaalsContact CZ-SG 3.54Å
36S95.8Very high96.4Very high127 Ų12778.1 Ų78.189%0.88841%0.405SS*.THydrogen-bonded Turntrans-58.9-24.5-179-170.30000113.4Q38S36-Q38 VanDerWaalsContact C-N 3.32Å
37N95.8Very high96.3Very high97 Ų9774.2 Ų74.252%0.51940%0.397SS..THydrogen-bonded Turntrans-91.516.2175.670.8-27000113.6F35 E39F35-N37 VanDerWaalsContact CB-OD1 3.26Å; F35-N37 WeakPolarHBondContact CB-OD1 3.46Å; F35-N37 PolarHBondContact O-N 2.9Å; F35-N37 VanDerWaalsContact O-N 3.11Å; N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 VanDerWaalsContact ND2-CD 3.27Å; N37-E39 PolarHBondContact ND2-OE1 3.34Å; N37-E39 PolarHBondContact O-N 2.72Å; N37-E39 PolarHBondContact OD1-N 3.42Å
38Q95.8Very high96.4Very high123 Ų12372.3 Ų72.358%0.57539%0.387SS*.SBendtrans72.21.8179.5-47.8-59.3108.400116.4F35 S36F35-Q38 PolarHBondContact O-N 2.83Å; S36-Q38 VanDerWaalsContact C-N 3.32Å
39E97.7Very high96.4Very high116 Ų11679.7 Ų79.754%0.54241%0.413SS..  trans-64.3137.2172.5-77.8176.3-154.700111.4K34 F35 N37K34-E39 CarbonylContact C-O 3.49Å; K34-E39 WeakPolarHBondContact CA-O 3.5Å; F35-E39 HydrophobicContact CB-CB 4.41Å; F35-E39 HydrophobicContact CD2-CB 3.93Å; F35-E39 PolarHBondContact N-O 3.23Å; N37-E39 VanDerWaalsContact C-N 3.26Å; N37-E39 VanDerWaalsContact ND2-CD 3.27Å; N37-E39 PolarHBondContact ND2-OE1 3.34Å; N37-E39 PolarHBondContact O-N 2.72Å; N37-E39 PolarHBondContact OD1-N 3.42Å
40T97.5Very high96.4Very high24 Ų2474.5 Ų74.515%0.14740%0.401CS..EExtended strand (participates in β ladder)trans-85.1127.2176.8-58.30000109.7V42 E69 I72T40-V42 HydrophobicContact CG2-CG2 4.16Å; T40-E69 HydrophobicContact CG2-CB 3.86Å; T40-E69 HydrophobicContact CG2-CG 3.93Å; T40-I72 HydrophobicContact CG2-CD1 4.22Å
41C97.4Very high96.5Very high28 Ų2874.6 Ų74.619%0.18940%0.399CS..EExtended strand (participates in β ladder)trans-114.8126.5177.5178.40000109T32 K33 F35T32-C41 WeakPolarHBondContact CA-O 3.14Å; K33-C41 VanDerWaalsContact CE-SG 3.58Å; K33-C41 HydrophobicContact CG-CB 3.82Å; K33-C41 PolarHBondContact N-O 2.97Å; K33-C41 PolarHBondContact O-N 3.22Å; F35-C41 HydrophobicContact CD2-CB 4.15Å; F35-C41 HydrophobicContact CE1-CB 4.12Å; F35-C41 HydrophobicContact CE2-CB 3.57Å; F35-C41 HydrophobicContact CZ-CB 3.55Å; F35-C41 VanDerWaalsContact CZ-SG 3.54Å
42V97.9Very high96.6Very high25 Ų2570.3 Ų70.315%0.15238%0.376CS..EExtended strand (participates in β ladder)trans-127.2132.3-179.6176.90000108.4V30 I31 T32 T40 I44 E69 I72 M73V30-V42 HydrophobicContact CG2-CG1 3.9Å; I31-V42 CarbonylContact O-C 3.6Å; I31-V42 WeakPolarHBondContact O-CA 3.44Å; T32-V42 HydrophobicContact CG2-CG2 4.37Å; T40-V42 HydrophobicContact CG2-CG2 4.16Å; V42-I44 HydrophobicContact CG1-CD1 4.29Å; V42-E69 HydrophobicContact CG2-CG 4.15Å; V42-I72 HydrophobicContact CB-CG2 3.71Å; V42-I72 HydrophobicContact CG2-CB 4.17Å; V42-I72 HydrophobicContact CG2-CG2 3.72Å; V42-M73 HydrophobicContact CB-CG 4.46Å; V42-M73 HydrophobicContact CG1-CG 3.57Å; V42-M73 HydrophobicContact CG2-CG 4.1Å
43E97.8Very high96.8Very high117 Ų11768.3 Ų68.355%0.54736%0.364SS..EExtended strand (participates in β ladder)trans-132.5118.7172.5-169.8176.2166.700109.3V30 I31 G45V30-E43 WeakPolarHBondContact CA-O 3.26Å; I31-E43 HydrophobicContact CB-CB 4.28Å; I31-E43 PolarHBondContact N-O 3Å; I31-E43 PolarHBondContact O-N 3.14Å; E43-G45 PolarHBondContact O-N 2.92Å
44I98Very high97Very high32 Ų3263.4 Ų63.416%0.16434%0.343CS..EExtended strand (participates in β ladder)trans-76.8115.6175.6-51.8-61.2000107.6F7 V30 V42 E46 V48 A76F7-I44 HydrophobicContact CE1-CG2 3.95Å; F7-I44 HydrophobicContact CE2-CG2 4.47Å; F7-I44 HydrophobicContact CZ-CG2 3.66Å; V30-I44 HydrophobicContact CG2-CD1 4.14Å; V42-I44 HydrophobicContact CG1-CD1 4.29Å; I44-E46 VanDerWaalsContact C-N 3.31Å; I44-E46 WeakPolarHBondContact CG2-O 3.42Å; I44-E46 PolarHBondContact O-N 3.24Å; I44-V48 HydrophobicContact CG2-CG1 3.94Å; I44-A76 HydrophobicContact CG1-CB 3.98Å
45G96.1Very high97.2Very high46 Ų4658.8 Ų58.847%0.47432%0.323SS..  trans-85.44.5-171.500000115K29 E43K29-G45 WeakPolarHBondContact O-CA 3.46Å; K29-G45 PolarHBondContact O-N 3.45Å; E43-G45 PolarHBondContact O-N 2.92Å
46E95.8Very high97.4Very high76 Ų7654.6 Ų54.636%0.35531%0.305SS..SBendtrans-144.8162.617865-173.688.500112.2F7 G28 K29 I44 V48F7-E46 HydrophobicContact CE1-CG 4.34Å; F7-E46 HydrophobicContact CZ-CG 4.14Å; G28-E46 WeakPolarHBondContact CA-OE1 3.43Å; K29-E46 PolarHBondContact N-OE1 2.72Å; I44-E46 VanDerWaalsContact C-N 3.31Å; I44-E46 WeakPolarHBondContact CG2-O 3.42Å; I44-E46 PolarHBondContact O-N 3.24Å; E46-V48 PolarHBondContact O-N 2.8Å
47S96.7Very high97.3Very high92 Ų9248.7 Ų48.764%0.64326%0.263SS*.  trans-75.9122.7179.9172.90000110.7
48V97.9Very high97Very high2 Ų244.2 Ų44.21%0.01224%0.239CC..  trans-103.59.8174.1-61.70000113.1F7 I44 E46 G50 E51 V53 C77 A80 S82F7-V48 HydrophobicContact CE2-CG1 3.58Å; F7-V48 HydrophobicContact CZ-CG1 3.56Å; I44-V48 HydrophobicContact CG2-CG1 3.94Å; E46-V48 PolarHBondContact O-N 2.8Å; V48-G50 PolarHBondContact O-N 2.9Å; V48-E51 PolarHBondContact O-N 3.49Å; V48-E51 VanDerWaalsContact O-N 3.09Å; V48-V53 HydrophobicContact CB-CG2 3.96Å; V48-V53 HydrophobicContact CG1-CG2 4.22Å; V48-C77 HydrophobicContact CG2-CB 4.46Å; V48-A80 HydrophobicContact CG2-CB 3.59Å; V48-S82 VanDerWaalsContact O-CA 3.26Å; V48-S82 WeakPolarHBondContact O-CA 3.34Å
49R97.8Very high96.3Very high164 Ų16439 Ų3962%0.61922%0.218SC*.THydrogen-bonded Turntrans-61.4120.1-175.4178.8179.4-62.5-73.3-6.5111E51 S81R49-E51 PolarHBondContact O-N 2.7Å; R49-S81 WeakPolarHBondContact CA-O 3.24Å; R49-S81 PolarHBondContact NH1-OG 3.27Å
50G96.8Very high95.6Very high37 Ų3734 Ų3438%0.38120%0.197SC..THydrogen-bonded Turntrans74.26.3179.800000114.6P2 V48 S81 S83P2-G50 WeakPolarHBondContact CB-O 3.16Å; V48-G50 PolarHBondContact O-N 2.9Å; G50-S81 PolarHBondContact N-O 2.86Å; G50-S83 WeakPolarHBondContact O-CB 3.49Å
51E97.9Very high95.2Very high39 Ų3936.5 Ų36.518%0.18223%0.227CC..  trans-90.3158-179.7-54.7-63.8-169.100112.4N3 V5 V48 R49 V53 S83 R84N3-E51 VanDerWaalsContact CA-OE2 3.23Å; N3-E51 WeakPolarHBondContact CA-OE2 3.32Å; N3-E51 WeakPolarHBondContact CB-OE2 2.92Å; N3-E51 PolarHBondContact N-OE2 3.41Å; N3-E51 PolarHBondContact ND2-OE1 3.39Å; N3-E51 VanDerWaalsContact ND2-OE1 3.08Å; N3-E51 PolarHBondContact ND2-OE2 3.08Å; V5-E51 HydrophobicContact CG2-CB 3.84Å; V5-E51 HydrophobicContact CG2-CG 4.02Å; V48-E51 PolarHBondContact O-N 3.49Å; V48-E51 VanDerWaalsContact O-N 3.09Å; R49-E51 PolarHBondContact O-N 2.7Å; E51-V53 HydrophobicContact CB-CG2 4.47Å; E51-S83 WeakPolarHBondContact O-CB 3.4Å; E51-S83 PolarHBondContact O-N 3.39Å; E51-R84 PolarHBondContact O-N 3.1Å
52D98.3Very high95Very high0 Ų041.4 Ų41.40%025%0.247CC..EExtended strand (participates in β ladder)trans-93.2100.5173.3-172.528.4000109.2P2 N3 V5 Y54 R84 H304P2-D52 HydrophobicContact CB-CB 4.23Å; P2-D52 HydrophobicContact CG-CB 4.04Å; N3-D52 PolarHBondContact O-N 3.07Å; V5-D52 PolarHBondContact N-O 3.15Å; D52-Y54 HydrophobicContact CB-CE2 4.35Å; D52-Y54 VanDerWaalsContact OD2-CE2 3.3Å; D52-Y54 WeakPolarHBondContact OD2-CE2 3.4Å; D52-Y54 PolarHBondContact OD2-OH 3.04Å; D52-R84 WeakPolarHBondContact OD1-CB 3.39Å; D52-R84 IonicContact OD1-CZ 2.75Å; D52-R84 IonicContact OD1-NE 3.58Å; D52-R84 PolarHBondContact OD1-NE 3.43Å; D52-R84 IonicContact OD1-NH2 3.2Å; D52-R84 PolarHBondContact OD1-NH2 2.92Å; D52-R84 IonicContact OD2-CZ 3.81Å; D52-R84 IonicContact OD2-NE 2.78Å; D52-R84 IonicContact OD2-NH2 3.48Å; D52-R84 PolarHBondContact OD2-NH2 3.22Å; D52-H304 IonicContact OD2-CE1 2.75Å; D52-H304 IonicContact OD2-CG 3.54Å; D52-H304 IonicContact OD2-ND1 3.59Å; D52-H304 PolarHBondContact OD2-ND1 2.76Å
53V98.6Very high95Very high0 Ų042.4 Ų42.40%025%0.251CS..EExtended strand (participates in β ladder)trans-96132.4-167.9-179.60000110.8V5 F7 V48 E51 I55 C77 R84 V85 T86V5-V53 CarbonylContact O-C 3.51Å; V5-V53 WeakPolarHBondContact O-CA 3.46Å; F7-V53 HydrophobicContact CD2-CG1 3.71Å; F7-V53 HydrophobicContact CE2-CG1 3.87Å; V48-V53 HydrophobicContact CB-CG2 3.96Å; V48-V53 HydrophobicContact CG1-CG2 4.22Å; E51-V53 HydrophobicContact CB-CG2 4.47Å; V53-I55 HydrophobicContact CG1-CG1 4.09Å; V53-C77 HydrophobicContact CG1-CB 4.35Å; V53-R84 PolarHBondContact N-O 2.79Å; V53-V85 WeakPolarHBondContact O-CA 3.5Å; V53-T86 PolarHBondContact O-N 3.35Å
54Y98.7Very high95Very high0 Ų041 Ų410%025%0.247CC..EExtended strand (participates in β ladder)trans-118.7127172.5-63.1-97.8000109.1I4 V5 L6 F7 D52 R84 T86 V88 I125 I300 T303 H304I4-Y54 HydrophobicContact CD1-CD2 4.02Å; I4-Y54 HydrophobicContact CD1-CE2 3.89Å; I4-Y54 HydrophobicContact CG1-CD2 3.83Å; I4-Y54 HydrophobicContact CG1-CE2 3.86Å; V5-Y54 PolarHBondContact O-N 3.42Å; L6-Y54 CarbonylContact C-O 3.52Å; L6-Y54 WeakPolarHBondContact CA-O 3.17Å; F7-Y54 PolarHBondContact N-O 2.74Å; D52-Y54 HydrophobicContact CB-CE2 4.35Å; D52-Y54 VanDerWaalsContact OD2-CE2 3.3Å; D52-Y54 WeakPolarHBondContact OD2-CE2 3.4Å; D52-Y54 PolarHBondContact OD2-OH 3.04Å; Y54-R84 PolarHBondContact OH-NH2 3.29Å; Y54-T86 WeakPolarHBondContact CA-O 3.49Å; Y54-T86 HydrophobicContact CD1-CG2 3.73Å; Y54-T86 HydrophobicContact CE1-CG2 3.85Å; Y54-V88 HydrophobicContact CD1-CG2 4.09Å; Y54-I125 HydrophobicContact CE1-CD1 4.33Å; Y54-I300 HydrophobicContact CD1-CB 4.27Å; Y54-I300 HydrophobicContact CD1-CD1 4.43Å; Y54-I300 HydrophobicContact CD1-CG1 3.8Å; Y54-I300 HydrophobicContact CD1-CG2 3.77Å; Y54-I300 HydrophobicContact CD2-CG2 4.02Å; Y54-I300 HydrophobicContact CE1-CB 4.25Å; Y54-I300 HydrophobicContact CE1-CG1 4.17Å; Y54-I300 HydrophobicContact CE1-CG2 3.78Å; Y54-I300 HydrophobicContact CE2-CG2 4.05Å; Y54-I300 HydrophobicContact CG-CG1 4.44Å; Y54-I300 HydrophobicContact CG-CG2 3.91Å; Y54-T303 HydrophobicContact CE1-CG2 4.19Å; Y54-H304 PolarHBondContact OH-N 3.43Å
55I98.6Very high94.9Very high0 Ų041.5 Ų41.50%025%0.25CS..EExtended strand (participates in β ladder)trans-114.7114.9177.7-57.5161.9000108.3F7 V53 L70 M73 I74 V85 T86 V88F7-I55 HydrophobicContact CB-CG1 4.46Å; V53-I55 HydrophobicContact CG1-CG1 4.09Å; I55-L70 HydrophobicContact CB-CD1 4.1Å; I55-L70 HydrophobicContact CG2-CD1 3.59Å; I55-M73 HydrophobicContact CD1-CB 3.89Å; I55-M73 HydrophobicContact CG2-CB 4.26Å; I55-M73 HydrophobicContact CG2-CE 3.7Å; I55-M73 HydrophobicContact CG2-SD 3.92Å; I55-I74 HydrophobicContact CD1-CB 4.38Å; I55-I74 HydrophobicContact CD1-CG1 3.75Å; I55-V85 HydrophobicContact CD1-CG1 3.85Å; I55-T86 PolarHBondContact N-O 2.84Å; I55-V88 PolarHBondContact O-N 3.11Å
56V98.3Very high95Very high2 Ų240 Ų401%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-90.9115.8178.2-175.30000109.5L6 F7 G9 S16 V88L6-V56 HydrophobicContact CD1-CG2 3.63Å; L6-V56 HydrophobicContact CG-CG2 4.39Å; F7-V56 PolarHBondContact O-N 2.97Å; G9-V56 PolarHBondContact N-O 3.37Å; S16-V56 WeakPolarHBondContact OG-CB 3.45Å; S16-V56 WeakPolarHBondContact OG-CG1 3.37Å; V56-V88 WeakPolarHBondContact CA-O 3.46Å; V56-V88 HydrophobicContact CG2-CB 4.05Å; V56-V88 HydrophobicContact CG2-CG1 4.28Å
57Q94.5Very high95.1Very high2 Ų236.9 Ų36.91%0.00922%0.217CC..  trans-150.6125174.7-172.489.6-7400110.4G9 S11 N66 E69 L70 V88 I89G9-Q57 VanDerWaalsContact CA-OE1 3.3Å; S11-Q57 PolarHBondContact OG-OE1 2.88Å; Q57-N66 HydrophobicContact CG-CB 4.45Å; Q57-N66 PolarHBondContact NE2-O 3.45Å; Q57-E69 PolarHBondContact NE2-OE2 3.49Å; Q57-L70 HydrophobicContact CB-CB 4.15Å; Q57-L70 HydrophobicContact CB-CD1 3.98Å; Q57-L70 HydrophobicContact CB-CD2 4.21Å; Q57-L70 HydrophobicContact CB-CG 4.34Å; Q57-L70 HydrophobicContact CG-CB 4.06Å; Q57-V88 PolarHBondContact N-O 2.93Å; Q57-I89 WeakPolarHBondContact O-CA 3.42Å
58S90.3Very high95.2Very high3 Ų337 Ų372%0.02121%0.209CC..  trans-94.6147.3175.8-164.20000111.9S11 C60 C91 T274S11-S58 WeakPolarHBondContact CB-O 3.44Å; S11-S58 PolarHBondContact OG-N 3.28Å; S11-S58 PolarHBondContact OG-O 2.95Å; S58-C60 PolarHBondContact O-N 3.44Å; S58-C91 WeakPolarHBondContact OG-CB 3.38Å; S58-C91 PolarHBondContact OG-N 3.25Å; S58-T274 WeakPolarHBondContact CB-O 3.38Å; S58-T274 PolarHBondContact OG-O 3.16Å
59G80.3Confident95.2Very high13 Ų1337.3 Ų37.313%0.13421%0.21CC..SBendtrans-78.455.4175.800000113.4C91G59-C91 WeakPolarHBondContact CA-O 3.39Å; G59-C91 PolarHBondContact N-O 2.8Å
60C82.6Confident95.2Very high13 Ų1329.7 Ų29.79%0.08818%0.181CC..  trans-122.2173.3-17860.50000113.2S58 E62 N66 I275S58-C60 PolarHBondContact O-N 3.44Å; C60-E62 PolarHBondContact O-N 3.28Å; C60-N66 PolarHBondContact O-ND2 3.05Å; C60-I275 HydrophobicContact CB-CB 4.2Å; C60-I275 HydrophobicContact CB-CD1 3.97Å; C60-I275 HydrophobicContact CB-CG1 3.82Å; C60-I275 HydrophobicContact CB-CG2 3.61Å
61G89Confident95.3Very high76 Ų7628.8 Ų28.878%0.78417%0.168SC*.SBendtrans62.8-130.5-179.500000112.5I63G61-I63 VanDerWaalsContact C-N 3.27Å; G61-I63 PolarHBondContact O-N 3Å
62E94.3Very high95.4Very high130 Ų13029.4 Ų29.461%0.60717%0.172SC*.SBendtrans-73.681.9170.1-67.5-57.8150.400110.1C60 N64 D65 N66C60-E62 PolarHBondContact O-N 3.28Å; E62-N64 PolarHBondContact O-N 3.47Å; E62-N64 VanDerWaalsContact O-N 3.14Å; E62-D65 HydrophobicContact CB-CB 4.11Å; E62-D65 PolarHBondContact O-N 2.95Å; E62-N66 PolarHBondContact O-N 3.15Å
63I96.4Very high95.4Very high47 Ų4729.4 Ų29.424%0.24117%0.172CC..Hα-helixtrans-54.4-37-169.5-167.5172.1000113.8G61 L67 P93 Y94G61-I63 VanDerWaalsContact C-N 3.27Å; G61-I63 PolarHBondContact O-N 3Å; I63-L67 VanDerWaalsContact O-CB 3.24Å; I63-L67 WeakPolarHBondContact O-CB 3.48Å; I63-L67 PolarHBondContact O-N 3.47Å; I63-P93 HydrophobicContact CD1-CB 3.75Å; I63-P93 HydrophobicContact CG1-CB 3.8Å; I63-Y94 HydrophobicContact CD1-CD2 4.11Å; I63-Y94 HydrophobicContact CD1-CE2 3.98Å; I63-Y94 HydrophobicContact CG1-CE2 4.16Å; I63-Y94 HydrophobicContact CG2-CE2 4.38Å
64N97.7Very high95.4Very high87 Ų8729.4 Ų29.447%0.46517%0.172SC..Hα-helixtrans-69.1-43.5179.7-70.7-47.5000111.7E62 L67 M68 Y94E62-N64 PolarHBondContact O-N 3.47Å; E62-N64 VanDerWaalsContact O-N 3.14Å; N64-L67 PolarHBondContact O-N 3.06Å; N64-M68 WeakPolarHBondContact O-CB 3.38Å; N64-M68 WeakPolarHBondContact O-CG 3.37Å; N64-M68 PolarHBondContact O-N 3.33Å; N64-Y94 PolarHBondContact OD1-OH 3.2Å
65D96.9Very high95.4Very high43 Ų4333 Ų3323%0.2319%0.191CC..Hα-helixtrans-68.6-41.8-178-64.7-15.5000110K34 E62 L67 M68 E69K34-D65 VanDerWaalsContact NZ-CG 3.25Å; K34-D65 IonicContact NZ-OD2 2.66Å; K34-D65 PolarHBondContact NZ-OD2 3Å; E62-D65 HydrophobicContact CB-CB 4.11Å; E62-D65 PolarHBondContact O-N 2.95Å; D65-L67 PolarHBondContact O-N 3.13Å; D65-M68 PolarHBondContact O-N 3.47Å; D65-E69 WeakPolarHBondContact O-CB 3.36Å; D65-E69 PolarHBondContact O-N 2.72Å
66N97.4Very high95.4Very high14 Ų1434 Ų348%0.07520%0.2CC..Hα-helixtrans-66.2-37.2176.6-71.8-19.1000112.5S10 S11 Q57 C60 E62 L70S10-N66 PolarHBondContact OG-OD1 3.42Å; S11-N66 WeakPolarHBondContact CB-ND2 3.39Å; Q57-N66 HydrophobicContact CG-CB 4.45Å; Q57-N66 PolarHBondContact NE2-O 3.45Å; C60-N66 PolarHBondContact O-ND2 3.05Å; E62-N66 PolarHBondContact O-N 3.15Å; N66-L70 WeakPolarHBondContact O-CB 3.41Å; N66-L70 PolarHBondContact O-N 2.83Å; N66-L70 VanDerWaalsContact O-N 3.07Å
67L98.2Very high95.4Very high11 Ų1134 Ų346%0.05820%0.199CC..Hα-helixtrans-65.5-47.2172.9176.960.7000111.3I63 N64 D65 E69 L70 L71 P93 Y94 V112 M115I63-L67 VanDerWaalsContact O-CB 3.24Å; I63-L67 WeakPolarHBondContact O-CB 3.48Å; I63-L67 PolarHBondContact O-N 3.47Å; N64-L67 PolarHBondContact O-N 3.06Å; D65-L67 PolarHBondContact O-N 3.13Å; L67-E69 PolarHBondContact O-N 2.94Å; L67-L70 PolarHBondContact O-N 3.02Å; L67-L71 HydrophobicContact CD1-CD1 4.28Å; L67-L71 HydrophobicContact CD1-CG 4.3Å; L67-L71 HydrophobicContact CG-CD1 4.14Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.48Å; L67-L71 PolarHBondContact O-N 3.19Å; L67-P93 HydrophobicContact CD1-CG 4.2Å; L67-Y94 HydrophobicContact CD2-CE2 4.37Å; L67-V112 HydrophobicContact CD1-CG1 4.21Å; L67-V112 HydrophobicContact CD2-CG2 3.97Å; L67-M115 HydrophobicContact CD2-CE 3.76Å
68M98.3Very high95.6Very high94 Ų9437.3 Ų37.346%0.46321%0.214SC..Hα-helixtrans-62.3-43177.8-75.3-56.6-56.400111.9N64 D65 L70 L71 I72N64-M68 WeakPolarHBondContact O-CB 3.38Å; N64-M68 WeakPolarHBondContact O-CG 3.37Å; N64-M68 PolarHBondContact O-N 3.33Å; D65-M68 PolarHBondContact O-N 3.47Å; M68-L70 VanDerWaalsContact C-N 3.34Å; M68-L70 PolarHBondContact O-N 3.12Å; M68-L71 PolarHBondContact O-N 3.15Å; M68-L71 HydrophobicContact SD-CD1 4.17Å; M68-I72 WeakPolarHBondContact O-CD1 3.44Å; M68-I72 WeakPolarHBondContact O-CG1 3.39Å; M68-I72 PolarHBondContact O-N 3.42Å
69E98.4Very high95.9Very high9 Ų943.1 Ų43.14%0.04224%0.243CC..Hα-helixtrans-57.8-46.4175.3-171.8176.2-110.100111.7S10 T32 T40 V42 Q57 D65 L67 L71 I72 M73S10-E69 VanDerWaalsContact CB-OE2 3.26Å; S10-E69 WeakPolarHBondContact CB-OE2 3.33Å; S10-E69 PolarHBondContact N-OE2 3.45Å; S10-E69 VanDerWaalsContact OG-CD 3.27Å; S10-E69 PolarHBondContact OG-OE1 3.48Å; S10-E69 PolarHBondContact OG-OE2 2.94Å; T32-E69 WeakPolarHBondContact CB-OE1 3.38Å; T32-E69 HydrophobicContact CG2-CG 4.47Å; T40-E69 HydrophobicContact CG2-CB 3.86Å; T40-E69 HydrophobicContact CG2-CG 3.93Å; V42-E69 HydrophobicContact CG2-CG 4.15Å; Q57-E69 PolarHBondContact NE2-OE2 3.49Å; D65-E69 WeakPolarHBondContact O-CB 3.36Å; D65-E69 PolarHBondContact O-N 2.72Å; L67-E69 PolarHBondContact O-N 2.94Å; E69-L71 PolarHBondContact O-N 3.29Å; E69-I72 PolarHBondContact O-N 3.33Å; E69-M73 HydrophobicContact CG-SD 4.29Å; E69-M73 VanDerWaalsContact O-CG 3.32Å; E69-M73 WeakPolarHBondContact O-CG 3.29Å; E69-M73 PolarHBondContact O-N 2.91Å
70L98.5Very high96.8Very high3 Ų344.2 Ų44.22%0.01625%0.251CS..Hα-helixtrans-59.9-47176.6175.460.7000111.8I55 Q57 N66 L67 M68 I72 M73 I74 A87 I89 L116I55-L70 HydrophobicContact CB-CD1 4.1Å; I55-L70 HydrophobicContact CG2-CD1 3.59Å; Q57-L70 HydrophobicContact CB-CB 4.15Å; Q57-L70 HydrophobicContact CB-CD1 3.98Å; Q57-L70 HydrophobicContact CB-CD2 4.21Å; Q57-L70 HydrophobicContact CB-CG 4.34Å; Q57-L70 HydrophobicContact CG-CB 4.06Å; N66-L70 WeakPolarHBondContact O-CB 3.41Å; N66-L70 PolarHBondContact O-N 2.83Å; N66-L70 VanDerWaalsContact O-N 3.07Å; L67-L70 PolarHBondContact O-N 3.02Å; M68-L70 VanDerWaalsContact C-N 3.34Å; M68-L70 PolarHBondContact O-N 3.12Å; L70-I72 VanDerWaalsContact C-N 3.31Å; L70-I72 PolarHBondContact O-N 3.05Å; L70-M73 PolarHBondContact O-N 3.45Å; L70-I74 HydrophobicContact CD1-CD1 3.81Å; L70-I74 HydrophobicContact CD1-CG1 4.06Å; L70-I74 HydrophobicContact CG-CD1 3.76Å; L70-I74 HydrophobicContact CG-CG1 4.44Å; L70-I74 VanDerWaalsContact O-CG1 3.24Å; L70-I74 WeakPolarHBondContact O-CG1 3.43Å; L70-I74 PolarHBondContact O-N 2.84Å; L70-A87 HydrophobicContact CD1-CB 4.47Å; L70-I89 HydrophobicContact CD2-CD1 3.83Å; L70-I89 HydrophobicContact CD2-CG1 3.98Å; L70-L116 HydrophobicContact CD2-CD2 3.75Å; L70-L116 HydrophobicContact CG-CD2 4.18Å
71L98.7Very high97.5Very high19 Ų1946 Ų4610%0.09926%0.264CS..Hα-helixtrans-60.6-41.3178.7-66.7170.7000111.7L67 M68 E69 N75 M115 L116 A119L67-L71 HydrophobicContact CD1-CD1 4.28Å; L67-L71 HydrophobicContact CD1-CG 4.3Å; L67-L71 HydrophobicContact CG-CD1 4.14Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.48Å; L67-L71 PolarHBondContact O-N 3.19Å; M68-L71 PolarHBondContact O-N 3.15Å; M68-L71 HydrophobicContact SD-CD1 4.17Å; E69-L71 PolarHBondContact O-N 3.29Å; L71-N75 WeakPolarHBondContact O-CB 3.3Å; L71-N75 PolarHBondContact O-N 2.79Å; L71-M115 HydrophobicContact CD1-CB 3.99Å; L71-M115 HydrophobicContact CD1-SD 4.33Å; L71-M115 VanDerWaalsContact CD2-C 3.45Å; L71-M115 HydrophobicContact CD2-CB 3.94Å; L71-M115 WeakPolarHBondContact CD2-O 3.42Å; L71-L116 HydrophobicContact CD2-CD2 3.94Å; L71-L116 HydrophobicContact CD2-CG 4.24Å; L71-A119 HydrophobicContact CB-CB 4.4Å; L71-A119 HydrophobicContact CD2-CB 3.77Å
72I98.6Very high97.9Very high51 Ų5143 Ų4326%0.26223%0.231SC..Hα-helixtrans-66-44.3177.4-64.9162.7000110.4T40 V42 M68 E69 L70 N75 A76T40-I72 HydrophobicContact CG2-CD1 4.22Å; V42-I72 HydrophobicContact CB-CG2 3.71Å; V42-I72 HydrophobicContact CG2-CB 4.17Å; V42-I72 HydrophobicContact CG2-CG2 3.72Å; M68-I72 WeakPolarHBondContact O-CD1 3.44Å; M68-I72 WeakPolarHBondContact O-CG1 3.39Å; M68-I72 PolarHBondContact O-N 3.42Å; E69-I72 PolarHBondContact O-N 3.33Å; L70-I72 VanDerWaalsContact C-N 3.31Å; L70-I72 PolarHBondContact O-N 3.05Å; I72-N75 PolarHBondContact O-N 2.9Å; I72-A76 VanDerWaalsContact O-CB 3.3Å; I72-A76 WeakPolarHBondContact O-CB 3.24Å; I72-A76 PolarHBondContact O-N 3.25Å
73M98.6Very high98.1Very high0 Ų040.4 Ų40.40%023%0.227CC..Hα-helixtrans-61.6-44.9176.9-72.3178.775.900112.2F7 V30 V42 I55 E69 L70 A76 C77F7-M73 HydrophobicContact CB-CE 3.62Å; F7-M73 HydrophobicContact CG-CE 4.4Å; V30-M73 HydrophobicContact CG1-CE 4.46Å; V30-M73 HydrophobicContact CG2-CE 4.27Å; V42-M73 HydrophobicContact CB-CG 4.46Å; V42-M73 HydrophobicContact CG1-CG 3.57Å; V42-M73 HydrophobicContact CG2-CG 4.1Å; I55-M73 HydrophobicContact CD1-CB 3.89Å; I55-M73 HydrophobicContact CG2-CB 4.26Å; I55-M73 HydrophobicContact CG2-CE 3.7Å; I55-M73 HydrophobicContact CG2-SD 3.92Å; E69-M73 HydrophobicContact CG-SD 4.29Å; E69-M73 VanDerWaalsContact O-CG 3.32Å; E69-M73 WeakPolarHBondContact O-CG 3.29Å; E69-M73 PolarHBondContact O-N 2.91Å; L70-M73 PolarHBondContact O-N 3.45Å; M73-A76 PolarHBondContact O-N 3.43Å; M73-C77 PolarHBondContact O-N 2.99Å; M73-C77 PolarHBondContact O-SG 3.09Å
74I98.8Very high98.2Very high0 Ų041.8 Ų41.80%023%0.229CC..Hα-helixtrans-58.5-51.9176.6-69.2163.6000109.6I55 L70 A76 C77 K78 V85 A87 L116 A119 A121I55-I74 HydrophobicContact CD1-CB 4.38Å; I55-I74 HydrophobicContact CD1-CG1 3.75Å; L70-I74 HydrophobicContact CD1-CD1 3.81Å; L70-I74 HydrophobicContact CD1-CG1 4.06Å; L70-I74 HydrophobicContact CG-CD1 3.76Å; L70-I74 HydrophobicContact CG-CG1 4.44Å; L70-I74 VanDerWaalsContact O-CG1 3.24Å; L70-I74 WeakPolarHBondContact O-CG1 3.43Å; L70-I74 PolarHBondContact O-N 2.84Å; I74-A76 VanDerWaalsContact C-N 3.35Å; I74-A76 PolarHBondContact O-N 2.93Å; I74-C77 PolarHBondContact O-N 2.98Å; I74-K78 WeakPolarHBondContact O-CB 3.29Å; I74-K78 PolarHBondContact O-N 3.42Å; I74-V85 HydrophobicContact CB-CG1 4.33Å; I74-V85 HydrophobicContact CG1-CG1 4.13Å; I74-V85 HydrophobicContact CG2-CG1 4.03Å; I74-A87 HydrophobicContact CD1-CB 4.09Å; I74-L116 HydrophobicContact CD1-CD2 3.7Å; I74-A119 HydrophobicContact CB-CB 4.3Å; I74-A119 HydrophobicContact CG2-CB 3.99Å; I74-A119 WeakPolarHBondContact CG2-O 3.34Å; I74-A121 HydrophobicContact CD1-CB 4.33Å; I74-A121 HydrophobicContact CG2-CB 4.24Å
75N98.8Very high98.2Very high76 Ų7637.7 Ų37.741%0.40621%0.207SC..Hα-helixtrans-62.2-42.1-179.1-179.372.7000111.8L71 I72 C77 K78 I79 A119L71-N75 WeakPolarHBondContact O-CB 3.3Å; L71-N75 PolarHBondContact O-N 2.79Å; I72-N75 PolarHBondContact O-N 2.9Å; N75-C77 PolarHBondContact O-N 3.21Å; N75-K78 PolarHBondContact O-N 3.08Å; N75-I79 WeakPolarHBondContact O-CG1 3.47Å; N75-I79 PolarHBondContact O-N 2.84Å; N75-A119 WeakPolarHBondContact CA-O 3.24Å
76A98.6Very high98.3Very high22 Ų2235.6 Ų35.618%0.18220%0.196CC..Hα-helixtrans-59-44.9176.300000111.8I44 I72 M73 I74 A80I44-A76 HydrophobicContact CG1-CB 3.98Å; I72-A76 VanDerWaalsContact O-CB 3.3Å; I72-A76 WeakPolarHBondContact O-CB 3.24Å; I72-A76 PolarHBondContact O-N 3.25Å; M73-A76 PolarHBondContact O-N 3.43Å; I74-A76 VanDerWaalsContact C-N 3.35Å; I74-A76 PolarHBondContact O-N 2.93Å; A76-A80 WeakPolarHBondContact O-CB 3.44Å; A76-A80 PolarHBondContact O-N 3.22Å
77C98.4Very high98.3Very high0 Ų035 Ų350%019%0.193CC..Hα-helixtrans-66.7-38.3176.3-63.90000112V48 V53 M73 I74 N75 A80 S82 V85V48-C77 HydrophobicContact CG2-CB 4.46Å; V53-C77 HydrophobicContact CG1-CB 4.35Å; M73-C77 PolarHBondContact O-N 2.99Å; M73-C77 PolarHBondContact O-SG 3.09Å; I74-C77 PolarHBondContact O-N 2.98Å; N75-C77 PolarHBondContact O-N 3.21Å; C77-A80 PolarHBondContact O-N 3.45Å; C77-S82 VanDerWaalsContact C-OG 3.23Å; C77-S82 WeakPolarHBondContact O-CB 3.5Å; C77-S82 PolarHBondContact O-N 3.24Å; C77-S82 VanDerWaalsContact O-N 3.15Å; C77-S82 PolarHBondContact O-OG 2.85Å; C77-V85 HydrophobicContact CB-CG2 3.94Å
78K98.2Very high98.4Very high73 Ų7334.4 Ų34.432%0.31719%0.19SC..Hα-helixtrans-64.4-50.5-179.9-164.864.2162.4-170.40111.6I74 N75 A80 S81 D122I74-K78 WeakPolarHBondContact O-CB 3.29Å; I74-K78 PolarHBondContact O-N 3.42Å; N75-K78 PolarHBondContact O-N 3.08Å; K78-A80 VanDerWaalsContact C-N 3.29Å; K78-A80 PolarHBondContact O-N 2.84Å; K78-S81 PolarHBondContact O-N 3Å; K78-D122 IonicContact NZ-OD1 3.55Å; K78-D122 PolarHBondContact NZ-OD1 3.21Å; K78-D122 IonicContact NZ-OD2 2.73Å; K78-D122 PolarHBondContact NZ-OD2 3.41Å
79I98.2Very high98.4Very high124 Ų12430 Ų3064%0.63617%0.168SC*.Hα-helixtrans-71.6-24.5179.770.5-178.5000112.5N75 S81N75-I79 WeakPolarHBondContact O-CG1 3.47Å; N75-I79 PolarHBondContact O-N 2.84Å; I79-S81 PolarHBondContact O-N 3.38Å; I79-S81 VanDerWaalsContact O-N 3.15Å
80A97.9Very high98.4Very high37 Ų3729.6 Ų29.631%0.30617%0.166SC..THydrogen-bonded Turntrans-72.87.2169.100000113.7V48 A76 C77 K78V48-A80 HydrophobicContact CG2-CB 3.59Å; A76-A80 WeakPolarHBondContact O-CB 3.44Å; A76-A80 PolarHBondContact O-N 3.22Å; C77-A80 PolarHBondContact O-N 3.45Å; K78-A80 VanDerWaalsContact C-N 3.29Å; K78-A80 PolarHBondContact O-N 2.84Å
81S97.7Very high98.3Very high51 Ų5129.7 Ų29.736%0.35717%0.167SC..THydrogen-bonded Turntrans66.337175.4-44.70000114.3R49 G50 K78 I79R49-S81 WeakPolarHBondContact CA-O 3.24Å; R49-S81 PolarHBondContact NH1-OG 3.27Å; G50-S81 PolarHBondContact N-O 2.86Å; K78-S81 PolarHBondContact O-N 3Å; I79-S81 PolarHBondContact O-N 3.38Å; I79-S81 VanDerWaalsContact O-N 3.15Å
82S97.7Very high98.3Very high13 Ų1329.1 Ų29.19%0.09116%0.164CC..  trans-56.7149.1164.952.40000111.5V48 C77 V85V48-S82 VanDerWaalsContact O-CA 3.26Å; V48-S82 WeakPolarHBondContact O-CA 3.34Å; C77-S82 VanDerWaalsContact C-OG 3.23Å; C77-S82 WeakPolarHBondContact O-CB 3.5Å; C77-S82 PolarHBondContact O-N 3.24Å; C77-S82 VanDerWaalsContact O-N 3.15Å; C77-S82 PolarHBondContact O-OG 2.85Å; S82-V85 WeakPolarHBondContact OG-CG2 3.39Å
83S97.6Very high98.3Very high75 Ų7527 Ų2752%0.52415%0.153SC..SBendtrans-71.8-38.8178.1-176.50000111.3G50 E51G50-S83 WeakPolarHBondContact O-CB 3.49Å; E51-S83 WeakPolarHBondContact O-CB 3.4Å; E51-S83 PolarHBondContact O-N 3.39Å
84R98.1Very high98.2Very high76 Ų7629.8 Ų29.829%0.28716%0.164SC..EExtended strand (participates in β ladder)trans-154.4142.6-179.5-178.4169.264.1176.20.4109E51 D52 V53 Y54 D122 T303E51-R84 PolarHBondContact O-N 3.1Å; D52-R84 WeakPolarHBondContact OD1-CB 3.39Å; D52-R84 IonicContact OD1-CZ 2.75Å; D52-R84 IonicContact OD1-NE 3.58Å; D52-R84 PolarHBondContact OD1-NE 3.43Å; D52-R84 IonicContact OD1-NH2 3.2Å; D52-R84 PolarHBondContact OD1-NH2 2.92Å; D52-R84 IonicContact OD2-CZ 3.81Å; D52-R84 IonicContact OD2-NE 2.78Å; D52-R84 IonicContact OD2-NH2 3.48Å; D52-R84 PolarHBondContact OD2-NH2 3.22Å; V53-R84 PolarHBondContact N-O 2.79Å; Y54-R84 PolarHBondContact OH-NH2 3.29Å; R84-D122 WeakPolarHBondContact CA-OD2 3.3Å; R84-D122 HydrophobicContact CG-CB 3.84Å; R84-T303 PolarHBondContact NH2-O 3Å; R84-T303 VanDerWaalsContact NH2-O 3.08Å
85V98.6Very high98.2Very high0 Ų030 Ų300%017%0.166CC..EExtended strand (participates in β ladder)trans-120.1114.9173.2-173.10000109.9V53 I55 I74 C77 S82 D122 H123V53-V85 WeakPolarHBondContact O-CA 3.5Å; I55-V85 HydrophobicContact CD1-CG1 3.85Å; I74-V85 HydrophobicContact CB-CG1 4.33Å; I74-V85 HydrophobicContact CG1-CG1 4.13Å; I74-V85 HydrophobicContact CG2-CG1 4.03Å; C77-V85 HydrophobicContact CB-CG2 3.94Å; S82-V85 WeakPolarHBondContact OG-CG2 3.39Å; V85-D122 PolarHBondContact N-OD2 3.07Å; V85-D122 PolarHBondContact O-N 3.4Å; V85-H123 PolarHBondContact O-N 3.44Å
86T98.8Very high98Very high0 Ų031.4 Ų31.40%017%0.166CC..EExtended strand (participates in β ladder)trans-102.7122.7174.4-57.10000109.9V53 Y54 I55 V88 H123 I125V53-T86 PolarHBondContact O-N 3.35Å; Y54-T86 WeakPolarHBondContact CA-O 3.49Å; Y54-T86 HydrophobicContact CD1-CG2 3.73Å; Y54-T86 HydrophobicContact CE1-CG2 3.85Å; I55-T86 PolarHBondContact N-O 2.84Å; T86-V88 HydrophobicContact CG2-CG2 4.32Å; T86-H123 CarbonylContact C-O 3.43Å; T86-H123 WeakPolarHBondContact CA-O 3.42Å; T86-H123 HydrophobicContact CG2-CB 4Å; T86-I125 HydrophobicContact CG2-CD1 3.88Å; T86-I125 HydrophobicContact CG2-CG1 3.85Å
87A98.6Very high97.8Very high0 Ų034.3 Ų34.30%018%0.175CC..EExtended strand (participates in β ladder)trans-87.5117171.200000109.6L70 I74 I89 H123 I124 I125L70-A87 HydrophobicContact CD1-CB 4.47Å; I74-A87 HydrophobicContact CD1-CB 4.09Å; A87-I89 HydrophobicContact CB-CD1 4Å; A87-I89 HydrophobicContact CB-CG1 4.03Å; A87-H123 PolarHBondContact N-O 2.9Å; A87-I124 HydrophobicContact CB-CD1 3.81Å; A87-I124 WeakPolarHBondContact O-CA 3.24Å; A87-I125 PolarHBondContact O-N 3.47Å
88V98.6Very high97.7Very high0 Ų035.5 Ų35.50%018%0.182CC..EExtended strand (participates in β ladder)trans-98.1105175.7-175.10000107.6Y54 I55 V56 Q57 T86 P90 I125 L296 I300Y54-V88 HydrophobicContact CD1-CG2 4.09Å; I55-V88 PolarHBondContact O-N 3.11Å; V56-V88 WeakPolarHBondContact CA-O 3.46Å; V56-V88 HydrophobicContact CG2-CB 4.05Å; V56-V88 HydrophobicContact CG2-CG1 4.28Å; Q57-V88 PolarHBondContact N-O 2.93Å; T86-V88 HydrophobicContact CG2-CG2 4.32Å; V88-P90 WeakPolarHBondContact O-CD 3.24Å; V88-I125 CarbonylContact C-O 3.57Å; V88-I125 WeakPolarHBondContact CA-O 3.33Å; V88-I125 HydrophobicContact CG1-CB 4.43Å; V88-I125 HydrophobicContact CG1-CG2 4.44Å; V88-I125 HydrophobicContact CG2-CB 4.33Å; V88-I125 HydrophobicContact CG2-CD1 4.4Å; V88-L296 HydrophobicContact CG1-CD2 4.15Å; V88-I300 HydrophobicContact CG2-CD1 4.08Å; V88-I300 HydrophobicContact CG2-CG1 4.19Å
89I98.4Very high97.5Very high1 Ų137.1 Ų37.11%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-120.884.2-170.3-47.9175.6000109.6Q57 L70 A87 C91 F92 L116 I124 I125 T126Q57-I89 WeakPolarHBondContact O-CA 3.42Å; L70-I89 HydrophobicContact CD2-CD1 3.83Å; L70-I89 HydrophobicContact CD2-CG1 3.98Å; A87-I89 HydrophobicContact CB-CD1 4Å; A87-I89 HydrophobicContact CB-CG1 4.03Å; I89-C91 VanDerWaalsContact C-N 3.35Å; I89-C91 PolarHBondContact O-N 2.77Å; I89-F92 HydrophobicContact CD1-CD2 4.35Å; I89-F92 HydrophobicContact CD1-CE2 4.28Å; I89-F92 HydrophobicContact CG2-CD2 4.32Å; I89-L116 HydrophobicContact CD1-CD1 3.67Å; I89-L116 HydrophobicContact CD1-CD2 4.16Å; I89-I124 HydrophobicContact CD1-CG2 4.47Å; I89-I125 PolarHBondContact N-O 2.97Å; I89-T126 VanDerWaalsContact O-CA 3.31Å; I89-T126 WeakPolarHBondContact O-CA 3.36Å; I89-T126 VanDerWaalsContact O-CB 3.28Å; I89-T126 WeakPolarHBondContact O-CB 3.42Å; I89-T126 PolarHBondContact O-OG1 2.91Å
90P98.1Very high97.2Very high0 Ų037.1 Ų37.10%018%0.184CC..SBendtrans-57.5-41.7-173.6-26.134.2000113.8L15 V88 H250 T274 L296L15-P90 HydrophobicContact CD2-CB 4.22Å; L15-P90 HydrophobicContact CD2-CG 3.71Å; V88-P90 WeakPolarHBondContact O-CD 3.24Å; P90-H250 PolarHBondContact O-CE1 2.8Å; P90-T274 HydrophobicContact CB-CG2 3.83Å; P90-L296 HydrophobicContact CB-CD1 4.44Å; P90-L296 HydrophobicContact CG-CD1 3.91Å
91C98.2Very high96.5Very high5 Ų540.6 Ų40.63%0.03420%0.197CC..SBendtrans-116.1112.4169.11790000109.4S58 G59 I89 I275S58-C91 WeakPolarHBondContact OG-CB 3.38Å; S58-C91 PolarHBondContact OG-N 3.25Å; G59-C91 WeakPolarHBondContact CA-O 3.39Å; G59-C91 PolarHBondContact N-O 2.8Å; I89-C91 VanDerWaalsContact C-N 3.35Å; I89-C91 PolarHBondContact O-N 2.77Å; C91-I275 HydrophobicContact CB-CD1 4.15Å; C91-I275 HydrophobicContact CB-CG1 3.96Å
92F98.3Very high95.6Very high8 Ų849 Ų494%0.03523%0.228CC..  trans-70.7125.3-174.9-166.1-92.3000112.2I89 A95 V112 L116 L129 I134 F138I89-F92 HydrophobicContact CD1-CD2 4.35Å; I89-F92 HydrophobicContact CD1-CE2 4.28Å; I89-F92 HydrophobicContact CG2-CD2 4.32Å; F92-A95 HydrophobicContact CB-CB 4.34Å; F92-A95 HydrophobicContact CD1-CB 4.21Å; F92-A95 WeakPolarHBondContact O-CB 3.37Å; F92-V112 HydrophobicContact CE1-CB 4.35Å; F92-V112 HydrophobicContact CE1-CG1 3.85Å; F92-V112 HydrophobicContact CE2-CG1 4.43Å; F92-V112 HydrophobicContact CZ-CB 4.4Å; F92-V112 HydrophobicContact CZ-CG1 3.63Å; F92-L116 HydrophobicContact CE2-CD1 3.99Å; F92-L116 HydrophobicContact CZ-CD1 4.24Å; F92-L129 HydrophobicContact CB-CD2 3.57Å; F92-L129 HydrophobicContact CD1-CD2 4.24Å; F92-L129 HydrophobicContact CD2-CD2 4.19Å; F92-L129 HydrophobicContact CG-CD2 3.74Å; F92-I134 HydrophobicContact CD1-CG2 4.33Å; F92-I134 HydrophobicContact CE1-CG2 4.04Å; F92-I134 HydrophobicContact CZ-CG2 4.34Å; F92-F138 AromaticContact CE2-CE2 3.96Å; F92-F138 HydrophobicContact CE2-CE2 3.96Å; F92-F138 AromaticContact CE2-CZ 3.7Å; F92-F138 HydrophobicContact CE2-CZ 3.7Å; F92-F138 AromaticContact CZ-CE2 3.86Å; F92-F138 HydrophobicContact CZ-CE2 3.86Å; F92-F138 AromaticContact CZ-CZ 3.68Å; F92-F138 HydrophobicContact CZ-CZ 3.68Å
93P97.9Very high95.1Very high5 Ų551.4 Ų51.43%0.03225%0.245CC..THydrogen-bonded Turntrans-69.6144.8-176.126.5-30.9000111.4I63 L67 A95 V112I63-P93 HydrophobicContact CD1-CB 3.75Å; I63-P93 HydrophobicContact CG1-CB 3.8Å; L67-P93 HydrophobicContact CD1-CG 4.2Å; P93-A95 PolarHBondContact O-N 2.95Å; P93-A95 VanDerWaalsContact O-N 3.13Å; P93-V112 HydrophobicContact CG-CG1 3.96Å
94Y97.7Very high94.9Very high60 Ų6060.1 Ų60.124%0.23527%0.266CS..THydrogen-bonded Turntrans60.115.1-178.8-64.3-90.8000116I63 N64 L67 R96 Q97 V112I63-Y94 HydrophobicContact CD1-CD2 4.11Å; I63-Y94 HydrophobicContact CD1-CE2 3.98Å; I63-Y94 HydrophobicContact CG1-CE2 4.16Å; I63-Y94 HydrophobicContact CG2-CE2 4.38Å; N64-Y94 PolarHBondContact OD1-OH 3.2Å; L67-Y94 HydrophobicContact CD2-CE2 4.37Å; Y94-R96 PolarHBondContact O-N 3.31Å; Y94-R96 VanDerWaalsContact O-N 3.09Å; Y94-Q97 PolarHBondContact O-N 3.45Å; Y94-V112 HydrophobicContact CD2-CG2 3.74Å; Y94-V112 HydrophobicContact CG-CG2 4.2Å
95A96.9Very high94.7Very high5 Ų558.1 Ų58.14%0.04127%0.266CS..THydrogen-bonded Turntrans-56.8-29.9-174.800000114.9F92 P93 Q97 H130 I134F92-A95 HydrophobicContact CB-CB 4.34Å; F92-A95 HydrophobicContact CD1-CB 4.21Å; F92-A95 WeakPolarHBondContact O-CB 3.37Å; P93-A95 PolarHBondContact O-N 2.95Å; P93-A95 VanDerWaalsContact O-N 3.13Å; A95-Q97 PolarHBondContact O-N 2.92Å; A95-H130 HydrophobicContact CB-CB 3.74Å; A95-I134 HydrophobicContact CB-CD1 3.94Å
96R94.8Very high94.5Very high105 Ų10562.1 Ų62.140%0.39629%0.291SS..THydrogen-bonded Turntrans-71.3-10.3174.9-66.8-178.7-179.9160.61.3114.5Y94 M222 D224Y94-R96 PolarHBondContact O-N 3.31Å; Y94-R96 VanDerWaalsContact O-N 3.09Å; R96-M222 HydrophobicContact CG-SD 3.8Å; R96-M222 VanDerWaalsContact CZ-SD 3.6Å; R96-M222 PolarHBondContact NE-SD 2.82Å; R96-M222 VanDerWaalsContact NH2-CG 3.32Å; R96-M222 PolarHBondContact NH2-O 3.36Å; R96-M222 VanDerWaalsContact NH2-O 3.16Å; R96-D224 IonicContact NH1-OD2 3.92Å
97Q96Very high94.5Very high83 Ų8364.9 Ų64.939%0.38831%0.306SS..  trans-105.353.1179.8-60.8-177.725.700110.1Y94 A95 I107 S108 A109Y94-Q97 PolarHBondContact O-N 3.45Å; A95-Q97 PolarHBondContact O-N 2.92Å; Q97-I107 CarbonylContact O-C 3.53Å; Q97-I107 WeakPolarHBondContact O-CA 3.47Å; Q97-S108 PolarHBondContact O-N 3.24Å; Q97-S108 PolarHBondContact OE1-OG 3.33Å; Q97-A109 PolarHBondContact O-N 3.22Å; Q97-A109 VanDerWaalsContact O-N 3.12Å
98D95.8Very high94.4Very high24 Ų2465.6 Ų65.613%0.12831%0.311CS..SBendtrans-93.1-9.7-17567.1-42.5000113.8I107 A131 I134 F137D98-I107 WeakPolarHBondContact O-CG2 3.25Å; D98-A131 HydrophobicContact CB-CB 4.45Å; D98-A131 VanDerWaalsContact OD2-CB 3.27Å; D98-A131 WeakPolarHBondContact OD2-CB 3.32Å; D98-I134 HydrophobicContact CB-CD1 4.39Å; D98-I134 HydrophobicContact CB-CG1 4.25Å; D98-F137 HydrophobicContact CB-CE2 4.35Å; D98-F137 HydrophobicContact CB-CZ 4.44Å; D98-F137 WeakPolarHBondContact O-CZ 3.2Å
99K93.6Very high94.4Very high108 Ų10865.6 Ų65.647%0.4731%0.311SS..SBendtrans-150.7164-177.561.8-169.7166.81800112D101K99-D101 WeakPolarHBondContact CD-OD1 3.34Å; K99-D101 WeakPolarHBondContact CE-OD1 3.42Å; K99-D101 WeakPolarHBondContact CE-OD2 3.26Å; K99-D101 WeakPolarHBondContact CG-OD1 3.34Å; K99-D101 IonicContact NZ-OD1 3.18Å
100K90.9Very high94.4Very high124 Ų12468.8 Ų68.854%0.53932%0.324SS..  trans-78.8-15.5-178.1-69.6-170.4174179.60115K102 S103 I107K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 3.22Å; K100-K102 VanDerWaalsContact O-N 3.13Å; K100-S103 PolarHBondContact O-N 2.75Å; K100-S103 PolarHBondContact O-OG 3Å; K100-I107 HydrophobicContact CG-CD1 4.19Å; K100-I107 HydrophobicContact CG-CG1 4.01Å
101D85.1Confident94.4Very high109 Ų10973.4 Ų73.458%0.58335%0.349SS*.THydrogen-bonded Turntrans41.650.1-178.5-79.3-20.8000115K99 S103K99-D101 WeakPolarHBondContact CD-OD1 3.34Å; K99-D101 WeakPolarHBondContact CE-OD1 3.42Å; K99-D101 WeakPolarHBondContact CE-OD2 3.26Å; K99-D101 WeakPolarHBondContact CG-OD1 3.34Å; K99-D101 IonicContact NZ-OD1 3.18Å; D101-S103 PolarHBondContact O-N 3.35Å; D101-S103 VanDerWaalsContact O-N 3.16Å
102K78.9Confident94.5Very high228 Ų22873.3 Ų73.399%0.99135%0.348SS*.THydrogen-bonded Turntrans57.526.6179.6-55.1-180-179.7178.10114.3K100K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 3.22Å; K100-K102 VanDerWaalsContact O-N 3.13Å
103S86.1Confident94.5Very high64 Ų6473 Ų7345%0.44835%0.346SS..THydrogen-bonded Turntrans-127.9171.817975.10000111.5K100 D101 A105K100-S103 PolarHBondContact O-N 2.75Å; K100-S103 PolarHBondContact O-OG 3Å; D101-S103 PolarHBondContact O-N 3.35Å; D101-S103 VanDerWaalsContact O-N 3.16Å; S103-A105 PolarHBondContact O-N 2.91Å; S103-A105 VanDerWaalsContact O-N 3.17Å; S103-A105 WeakPolarHBondContact OG-CB 3.42Å; S103-A105 PolarHBondContact OG-N 3.48Å
104R92.8Very high94.5Very high258 Ų25876.4 Ų76.497%0.97436%0.364SS*.THydrogen-bonded Turntrans-84.242.5169.8-68.7-176.3-70.4-101.2-0.9111.1
105A93.9Very high94.6Very high34 Ų3476.1 Ų76.128%0.28137%0.366SS..  trans-82.5154.3178.700000112S103S103-A105 PolarHBondContact O-N 2.91Å; S103-A105 VanDerWaalsContact O-N 3.17Å; S103-A105 WeakPolarHBondContact OG-CB 3.42Å; S103-A105 PolarHBondContact OG-N 3.48Å
106P95.8Very high94.7Very high83 Ų8375.9 Ų75.954%0.53936%0.364SS..  trans-69.6157.6167.232-35.7000111.2S108P106-S108 WeakPolarHBondContact CG-OG 3.22Å
107I97.7Very high94.8Very high58 Ų5872.8 Ų72.830%0.29736%0.359SS..  trans-10077.7162.3-56.8177.5000106.3Q97 D98 K100 A109 K110 L111 F137Q97-I107 CarbonylContact O-C 3.53Å; Q97-I107 WeakPolarHBondContact O-CA 3.47Å; D98-I107 WeakPolarHBondContact O-CG2 3.25Å; K100-I107 HydrophobicContact CG-CD1 4.19Å; K100-I107 HydrophobicContact CG-CG1 4.01Å; I107-A109 VanDerWaalsContact C-N 3.27Å; I107-A109 PolarHBondContact O-N 3.13Å; I107-K110 HydrophobicContact CB-CB 4.24Å; I107-K110 HydrophobicContact CG2-CB 3.66Å; I107-K110 WeakPolarHBondContact O-CB 3.47Å; I107-K110 PolarHBondContact O-N 3.17Å; I107-K110 VanDerWaalsContact O-N 3.09Å; I107-L111 PolarHBondContact O-N 3.47Å; I107-L111 VanDerWaalsContact O-N 3.16Å; I107-F137 HydrophobicContact CG2-CE2 4.03Å; I107-F137 HydrophobicContact CG2-CZ 3.95Å
108S98.1Very high95Very high15 Ų1574.8 Ų74.811%0.10538%0.376CS..Hα-helixtrans-65.4-30.6-171-53.30000112.3Q97 P106 K110 L111 V112Q97-S108 PolarHBondContact O-N 3.24Å; Q97-S108 PolarHBondContact OE1-OG 3.33Å; P106-S108 WeakPolarHBondContact CG-OG 3.22Å; S108-K110 VanDerWaalsContact C-N 3.28Å; S108-K110 PolarHBondContact O-N 3.2Å; S108-L111 WeakPolarHBondContact O-CB 3.33Å; S108-L111 PolarHBondContact O-N 3.46Å; S108-L111 VanDerWaalsContact O-N 3.13Å; S108-V112 WeakPolarHBondContact O-CG2 3.27Å; S108-V112 PolarHBondContact O-N 2.71Å
109A98.1Very high95.1Very high0 Ų074.2 Ų74.20%038%0.375CS..Hα-helixtrans-60.6-37172.700000112.3Q97 I107 V112 A113 I134 F137Q97-A109 PolarHBondContact O-N 3.22Å; Q97-A109 VanDerWaalsContact O-N 3.12Å; I107-A109 VanDerWaalsContact C-N 3.27Å; I107-A109 PolarHBondContact O-N 3.13Å; A109-V112 PolarHBondContact O-N 3.46Å; A109-A113 PolarHBondContact O-N 3.48Å; A109-I134 HydrophobicContact CB-CD1 4.46Å; A109-I134 HydrophobicContact CB-CG1 4.48Å; A109-F137 HydrophobicContact CB-CD2 4.15Å; A109-F137 HydrophobicContact CB-CE2 3.82Å
110K98.4Very high95.3Very high68 Ų6869.7 Ų69.730%0.29636%0.358SS..Hα-helixtrans-70.1-37.8173.5175.964.7-177.6-169.40111.7I107 S108 A113 N114 F137I107-K110 HydrophobicContact CB-CB 4.24Å; I107-K110 HydrophobicContact CG2-CB 3.66Å; I107-K110 WeakPolarHBondContact O-CB 3.47Å; I107-K110 PolarHBondContact O-N 3.17Å; I107-K110 VanDerWaalsContact O-N 3.09Å; S108-K110 VanDerWaalsContact C-N 3.28Å; S108-K110 PolarHBondContact O-N 3.2Å; K110-A113 PolarHBondContact O-N 3.34Å; K110-N114 VanDerWaalsContact CE-OD1 3.24Å; K110-N114 WeakPolarHBondContact CE-OD1 3.43Å; K110-N114 VanDerWaalsContact O-CG 3.27Å; K110-N114 PolarHBondContact O-N 2.95Å; K110-F137 HydrophobicContact CB-CD1 4.48Å; K110-F137 HydrophobicContact CB-CD2 3.86Å; K110-F137 HydrophobicContact CB-CE2 4.09Å; K110-F137 HydrophobicContact CB-CG 4.08Å; K110-F137 HydrophobicContact CB-CZ 4.49Å; K110-F137 HydrophobicContact CD-CB 3.7Å; K110-F137 HydrophobicContact CD-CD1 4.09Å; K110-F137 HydrophobicContact CD-CD2 4.47Å; K110-F137 HydrophobicContact CD-CG 3.84Å; K110-F137 PolarHBondContact NZ-O 2.88Å
111L98.6Very high95.7Very high98 Ų9864 Ų6451%0.51333%0.334SS..Hα-helixtrans-61.3-45.8174177.462.3000111I107 S108 A113 N114 M115I107-L111 PolarHBondContact O-N 3.47Å; I107-L111 VanDerWaalsContact O-N 3.16Å; S108-L111 WeakPolarHBondContact O-CB 3.33Å; S108-L111 PolarHBondContact O-N 3.46Å; S108-L111 VanDerWaalsContact O-N 3.13Å; L111-A113 PolarHBondContact O-N 2.96Å; L111-N114 WeakPolarHBondContact O-CB 3.5Å; L111-N114 PolarHBondContact O-N 2.93Å; L111-M115 HydrophobicContact CD1-CG 4.44Å; L111-M115 HydrophobicContact CG-CE 4.16Å; L111-M115 HydrophobicContact CG-SD 4.44Å; L111-M115 WeakPolarHBondContact O-CG 3.46Å; L111-M115 PolarHBondContact O-N 3.38Å
112V98.6Very high96.3Very high3 Ų361.6 Ų61.62%0.01832%0.322CS..Hα-helixtrans-58-46.9174.2169.30000111.1L67 F92 P93 Y94 S108 A109 N114 M115 L116L67-V112 HydrophobicContact CD1-CG1 4.21Å; L67-V112 HydrophobicContact CD2-CG2 3.97Å; F92-V112 HydrophobicContact CE1-CB 4.35Å; F92-V112 HydrophobicContact CE1-CG1 3.85Å; F92-V112 HydrophobicContact CE2-CG1 4.43Å; F92-V112 HydrophobicContact CZ-CB 4.4Å; F92-V112 HydrophobicContact CZ-CG1 3.63Å; P93-V112 HydrophobicContact CG-CG1 3.96Å; Y94-V112 HydrophobicContact CD2-CG2 3.74Å; Y94-V112 HydrophobicContact CG-CG2 4.2Å; S108-V112 WeakPolarHBondContact O-CG2 3.27Å; S108-V112 PolarHBondContact O-N 2.71Å; A109-V112 PolarHBondContact O-N 3.46Å; V112-N114 VanDerWaalsContact C-N 3.31Å; V112-N114 PolarHBondContact O-N 3.28Å; V112-M115 HydrophobicContact CB-CE 4.49Å; V112-M115 HydrophobicContact CG2-CE 4.07Å; V112-M115 PolarHBondContact O-N 2.86Å; V112-M115 VanDerWaalsContact O-N 3.16Å; V112-L116 HydrophobicContact CG1-CD1 3.93Å; V112-L116 WeakPolarHBondContact O-CG 3.28Å; V112-L116 PolarHBondContact O-N 2.87Å
113A98.6Very high97.3Very high0 Ų051.4 Ų51.40%028%0.278CS..Hα-helixtrans-58.2-4317700000112.5A109 K110 L111 L116 S117 F137 F138A109-A113 PolarHBondContact O-N 3.48Å; K110-A113 PolarHBondContact O-N 3.34Å; L111-A113 PolarHBondContact O-N 2.96Å; A113-L116 PolarHBondContact O-N 3.49Å; A113-S117 WeakPolarHBondContact O-CB 3.31Å; A113-S117 PolarHBondContact O-N 3.49Å; A113-S117 PolarHBondContact O-OG 2.84Å; A113-F137 HydrophobicContact CB-CB 3.75Å; A113-F138 VanDerWaalsContact CA-CE1 3.45Å; A113-F138 VanDerWaalsContact CA-CZ 3.43Å; A113-F138 HydrophobicContact CB-CD1 3.97Å; A113-F138 HydrophobicContact CB-CD2 3.89Å; A113-F138 HydrophobicContact CB-CE1 3.62Å; A113-F138 HydrophobicContact CB-CE2 3.53Å; A113-F138 HydrophobicContact CB-CG 4.11Å; A113-F138 HydrophobicContact CB-CZ 3.4Å
114N98.8Very high97.9Very high77 Ų7748.4 Ų48.441%0.41226%0.256SS..Hα-helixtrans-63.8-42.4175.5-70.9-11.7000112K110 L111 V112 S117 V118K110-N114 VanDerWaalsContact CE-OD1 3.24Å; K110-N114 WeakPolarHBondContact CE-OD1 3.43Å; K110-N114 VanDerWaalsContact O-CG 3.27Å; K110-N114 PolarHBondContact O-N 2.95Å; L111-N114 WeakPolarHBondContact O-CB 3.5Å; L111-N114 PolarHBondContact O-N 2.93Å; V112-N114 VanDerWaalsContact C-N 3.31Å; V112-N114 PolarHBondContact O-N 3.28Å; N114-S117 PolarHBondContact O-N 2.89Å; N114-V118 WeakPolarHBondContact O-CG1 3.49Å; N114-V118 PolarHBondContact O-N 3.3Å
115M98.8Very high98.2Very high55 Ų5536.1 Ų36.127%0.27121%0.21SC..Hα-helixtrans-63.2-44.3178.4-71.3-172.8-59.800111.8L67 L71 L111 V112 S117 V118 A119L67-M115 HydrophobicContact CD2-CE 3.76Å; L71-M115 HydrophobicContact CD1-CB 3.99Å; L71-M115 HydrophobicContact CD1-SD 4.33Å; L71-M115 VanDerWaalsContact CD2-C 3.45Å; L71-M115 HydrophobicContact CD2-CB 3.94Å; L71-M115 WeakPolarHBondContact CD2-O 3.42Å; L111-M115 HydrophobicContact CD1-CG 4.44Å; L111-M115 HydrophobicContact CG-CE 4.16Å; L111-M115 HydrophobicContact CG-SD 4.44Å; L111-M115 WeakPolarHBondContact O-CG 3.46Å; L111-M115 PolarHBondContact O-N 3.38Å; V112-M115 HydrophobicContact CB-CE 4.49Å; V112-M115 HydrophobicContact CG2-CE 4.07Å; V112-M115 PolarHBondContact O-N 2.86Å; V112-M115 VanDerWaalsContact O-N 3.16Å; M115-S117 VanDerWaalsContact C-N 3.34Å; M115-S117 PolarHBondContact O-N 2.81Å; M115-V118 WeakPolarHBondContact O-CG1 3.39Å; M115-V118 PolarHBondContact O-N 3.41Å; M115-A119 VanDerWaalsContact O-CB 3.27Å; M115-A119 WeakPolarHBondContact O-CB 3.35Å; M115-A119 PolarHBondContact O-N 2.94Å
116L98.8Very high98.4Very high0 Ų034.5 Ų34.50%020%0.197CC..Hα-helixtrans-62.4-42.5175.7-71.6165.4000111.8L70 L71 I74 I89 F92 V112 A113 A119 G120 A121 I124 F138L70-L116 HydrophobicContact CD2-CD2 3.75Å; L70-L116 HydrophobicContact CG-CD2 4.18Å; L71-L116 HydrophobicContact CD2-CD2 3.94Å; L71-L116 HydrophobicContact CD2-CG 4.24Å; I74-L116 HydrophobicContact CD1-CD2 3.7Å; I89-L116 HydrophobicContact CD1-CD1 3.67Å; I89-L116 HydrophobicContact CD1-CD2 4.16Å; F92-L116 HydrophobicContact CE2-CD1 3.99Å; F92-L116 HydrophobicContact CZ-CD1 4.24Å; V112-L116 HydrophobicContact CG1-CD1 3.93Å; V112-L116 WeakPolarHBondContact O-CG 3.28Å; V112-L116 PolarHBondContact O-N 2.87Å; A113-L116 PolarHBondContact O-N 3.49Å; L116-A119 PolarHBondContact O-N 2.85Å; L116-G120 PolarHBondContact O-N 2.91Å; L116-A121 WeakPolarHBondContact O-CB 3.4Å; L116-A121 PolarHBondContact O-N 3.02Å; L116-I124 HydrophobicContact CD1-CD1 4.39Å; L116-F138 HydrophobicContact CB-CE1 4.11Å; L116-F138 HydrophobicContact CD1-CE1 4.13Å; L116-F138 HydrophobicContact CD1-CZ 3.96Å
117S98.4Very high98.5Very high40 Ų4030.6 Ų30.628%0.2817%0.171SC..Hα-helixtrans-64.2-47.3178.8-55.10000111.4A113 N114 M115 G120A113-S117 WeakPolarHBondContact O-CB 3.31Å; A113-S117 PolarHBondContact O-N 3.49Å; A113-S117 PolarHBondContact O-OG 2.84Å; N114-S117 PolarHBondContact O-N 2.89Å; M115-S117 VanDerWaalsContact C-N 3.34Å; M115-S117 PolarHBondContact O-N 2.81Å; S117-G120 PolarHBondContact O-N 2.77Å; S117-G120 VanDerWaalsContact O-N 3.15Å
118V98.6Very high98.5Very high125 Ų12528.8 Ų28.876%0.75816%0.162SC*.Hα-helixtrans-72.7-27.5-179.375.10000113N114 M115 G120N114-V118 WeakPolarHBondContact O-CG1 3.49Å; N114-V118 PolarHBondContact O-N 3.3Å; M115-V118 WeakPolarHBondContact O-CG1 3.39Å; M115-V118 PolarHBondContact O-N 3.41Å; V118-G120 PolarHBondContact O-N 3.27Å
119A98.6Very high98.5Very high12 Ų1228.8 Ų28.810%0.09916%0.161CC..Hα-helixtrans-65-20.3171.400000112.5L71 I74 N75 M115 L116L71-A119 HydrophobicContact CB-CB 4.4Å; L71-A119 HydrophobicContact CD2-CB 3.77Å; I74-A119 HydrophobicContact CB-CB 4.3Å; I74-A119 HydrophobicContact CG2-CB 3.99Å; I74-A119 WeakPolarHBondContact CG2-O 3.34Å; N75-A119 WeakPolarHBondContact CA-O 3.24Å; M115-A119 VanDerWaalsContact O-CB 3.27Å; M115-A119 WeakPolarHBondContact O-CB 3.35Å; M115-A119 PolarHBondContact O-N 2.94Å; L116-A119 PolarHBondContact O-N 2.85Å
120G98.4Very high98.3Very high12 Ų1231.8 Ų31.812%0.12418%0.175CC..THydrogen-bonded Turntrans108.921.5173.600000115L116 S117 V118L116-G120 PolarHBondContact O-N 2.91Å; S117-G120 PolarHBondContact O-N 2.77Å; S117-G120 VanDerWaalsContact O-N 3.15Å; V118-G120 PolarHBondContact O-N 3.27Å
121A98.6Very high98.2Very high4 Ų429.1 Ų29.13%0.03317%0.165CC..  trans-66133.6169.900000110.2I74 L116 I124 I140I74-A121 HydrophobicContact CD1-CB 4.33Å; I74-A121 HydrophobicContact CG2-CB 4.24Å; L116-A121 WeakPolarHBondContact O-CB 3.4Å; L116-A121 PolarHBondContact O-N 3.02Å; A121-I124 HydrophobicContact CB-CD1 4.19Å; A121-I140 HydrophobicContact CB-CD1 4.14Å; A121-I140 WeakPolarHBondContact O-CD1 3.47Å
122D98.6Very high98Very high59 Ų5927.5 Ų27.532%0.31616%0.163SC..  trans-100.3-20178.6-59.2-66.7000111.7K78 R84 V85K78-D122 IonicContact NZ-OD1 3.55Å; K78-D122 PolarHBondContact NZ-OD1 3.21Å; K78-D122 IonicContact NZ-OD2 2.73Å; K78-D122 PolarHBondContact NZ-OD2 3.41Å; R84-D122 WeakPolarHBondContact CA-OD2 3.3Å; R84-D122 HydrophobicContact CG-CB 3.84Å; V85-D122 PolarHBondContact N-OD2 3.07Å; V85-D122 PolarHBondContact O-N 3.4Å
123H98.8Very high97.9Very high15 Ų1533.2 Ų33.27%0.06919%0.189CC..EExtended strand (participates in β ladder)trans-153.3148.9-177.8-171.6-137.1000111.2V85 T86 A87 A141 D143 T303V85-H123 PolarHBondContact O-N 3.44Å; T86-H123 CarbonylContact C-O 3.43Å; T86-H123 WeakPolarHBondContact CA-O 3.42Å; T86-H123 HydrophobicContact CG2-CB 4Å; A87-H123 PolarHBondContact N-O 2.9Å; H123-A141 PolarHBondContact CD2-O 3.39Å; H123-D143 IonicContact CE1-OD2 3.8Å; H123-D143 PolarHBondContact CE1-OD2 3.2Å; H123-D143 IonicContact NE2-OD2 3.94Å; H123-D143 PolarHBondContact NE2-OD2 2.87Å; H123-T303 WeakPolarHBondContact ND1-CG2 3.34Å
124I98.7Very high97.9Very high0 Ų033.2 Ų33.20%019%0.189CC..EExtended strand (participates in β ladder)trans-121.7130.4175-52.4-63000109.5A87 I89 L116 A121 F138 I140 A141 V142 D143A87-I124 HydrophobicContact CB-CD1 3.81Å; A87-I124 WeakPolarHBondContact O-CA 3.24Å; I89-I124 HydrophobicContact CD1-CG2 4.47Å; L116-I124 HydrophobicContact CD1-CD1 4.39Å; A121-I124 HydrophobicContact CB-CD1 4.19Å; I124-F138 HydrophobicContact CD1-CE1 4.02Å; I124-F138 HydrophobicContact CD1-CZ 4.42Å; I124-F138 HydrophobicContact CG1-CD1 4.08Å; I124-F138 HydrophobicContact CG1-CE1 3.79Å; I124-F138 HydrophobicContact CG1-CZ 4.09Å; I124-I140 HydrophobicContact CD1-CD1 4.02Å; I124-I140 HydrophobicContact CG1-CD1 3.82Å; I124-I140 HydrophobicContact CG1-CG1 4.4Å; I124-A141 PolarHBondContact N-O 2.95Å; I124-V142 HydrophobicContact CB-CB 4.42Å; I124-V142 HydrophobicContact CB-CG1 4.14Å; I124-V142 HydrophobicContact CB-CG2 4.11Å; I124-V142 HydrophobicContact CG1-CG2 4.27Å; I124-V142 HydrophobicContact CG2-CG1 4.22Å; I124-V142 CarbonylContact O-C 3.52Å; I124-V142 WeakPolarHBondContact O-CA 3.36Å; I124-D143 PolarHBondContact O-N 2.96Å
125I98.7Very high97.8Very high0 Ų032.8 Ų32.80%019%0.185CC..EExtended strand (participates in β ladder)trans-113.3124.6165.6-60.6175.1000107.2Y54 T86 A87 V88 I89 D143 L145 L296 A299 I300Y54-I125 HydrophobicContact CE1-CD1 4.33Å; T86-I125 HydrophobicContact CG2-CD1 3.88Å; T86-I125 HydrophobicContact CG2-CG1 3.85Å; A87-I125 PolarHBondContact O-N 3.47Å; V88-I125 CarbonylContact C-O 3.57Å; V88-I125 WeakPolarHBondContact CA-O 3.33Å; V88-I125 HydrophobicContact CG1-CB 4.43Å; V88-I125 HydrophobicContact CG1-CG2 4.44Å; V88-I125 HydrophobicContact CG2-CB 4.33Å; V88-I125 HydrophobicContact CG2-CD1 4.4Å; I89-I125 PolarHBondContact N-O 2.97Å; I125-D143 HydrophobicContact CG1-CB 4.33Å; I125-L145 HydrophobicContact CG2-CD1 3.8Å; I125-L145 HydrophobicContact CG2-CG 4.17Å; I125-L296 HydrophobicContact CG2-CD2 4.41Å; I125-A299 HydrophobicContact CG2-CB 4.31Å; I125-I300 HydrophobicContact CD1-CG1 4.09Å
126T98.6Very high97.8Very high1 Ų133.1 Ų33.11%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-140.7172.8-179.9-168.20000110.6I89 L129 V142 D143 N144 L145I89-T126 VanDerWaalsContact O-CA 3.31Å; I89-T126 WeakPolarHBondContact O-CA 3.36Å; I89-T126 VanDerWaalsContact O-CB 3.28Å; I89-T126 WeakPolarHBondContact O-CB 3.42Å; I89-T126 PolarHBondContact O-OG1 2.91Å; T126-L129 HydrophobicContact CG2-CD1 3.85Å; T126-L129 HydrophobicContact CG2-CD2 3.92Å; T126-L129 HydrophobicContact CG2-CG 3.63Å; T126-V142 HydrophobicContact CG2-CG1 4.26Å; T126-D143 PolarHBondContact N-O 3.37Å; T126-N144 HydrophobicContact CG2-CB 4.3Å; T126-L145 WeakPolarHBondContact O-CB 3.38Å; T126-L145 WeakPolarHBondContact O-CG 3.45Å; T126-L145 PolarHBondContact O-N 3.19Å
127M98.3Very high97.8Very high0 Ų034.9 Ų34.90%021%0.21CC..EExtended strand (participates in β ladder)trans-130.3133.9-179.8-174.9172.9-72.500110.2L129 L145 A147 T249 H250 T274 I292 I295 L296M127-L129 PolarHBondContact O-N 2.87Å; M127-L145 WeakPolarHBondContact CA-O 3.39Å; M127-L145 HydrophobicContact CB-CB 4.48Å; M127-L145 HydrophobicContact CE-CB 4.34Å; M127-A147 HydrophobicContact SD-CB 4.2Å; M127-T249 HydrophobicContact CG-CG2 4.11Å; M127-T249 HydrophobicContact SD-CG2 4.17Å; M127-H250 PolarHBondContact O-CE1 3.1Å; M127-H250 PolarHBondContact O-NE2 2.72Å; M127-H250 VanDerWaalsContact O-NE2 3.14Å; M127-T274 HydrophobicContact CB-CG2 4.36Å; M127-T274 HydrophobicContact CG-CG2 4.42Å; M127-T274 HydrophobicContact SD-CG2 3.66Å; M127-I292 HydrophobicContact CE-CB 3.73Å; M127-I292 HydrophobicContact CE-CG1 4Å; M127-I292 HydrophobicContact CE-CG2 4.08Å; M127-I292 HydrophobicContact SD-CB 4.07Å; M127-I292 HydrophobicContact SD-CG1 3.94Å; M127-I292 HydrophobicContact SD-CG2 3.96Å; M127-I295 HydrophobicContact CE-CB 4.3Å; M127-I295 HydrophobicContact CE-CG2 3.91Å; M127-L296 HydrophobicContact CE-CD2 4.42Å
128D97.4Very high97.8Very high20 Ų2033.6 Ų33.611%0.10720%0.199CC..SBendtrans41.459.5176.4-71.2-50.4000114.6H130 L145 Y146 A147 T249 H250D128-H130 PolarHBondContact O-N 3.06Å; D128-L145 PolarHBondContact N-O 3.41Å; D128-Y146 WeakPolarHBondContact OD1-CD1 3.24Å; D128-A147 WeakPolarHBondContact OD2-CB 3.44Å; D128-A147 PolarHBondContact OD2-N 3.12Å; D128-T249 HydrophobicContact CB-CG2 3.91Å; D128-T249 WeakPolarHBondContact OD2-CB 3.44Å; D128-T249 VanDerWaalsContact OD2-CG2 3.22Å; D128-T249 WeakPolarHBondContact OD2-CG2 3.34Å; D128-T249 PolarHBondContact OD2-OG1 2.97Å; D128-H250 PolarHBondContact O-NE2 2.9Å
129L97.6Very high97.8Very high16 Ų1635.4 Ų35.48%0.08420%0.204CC..  trans-47.8131.2171.4-76.6169.7000111.4F92 T126 M127 A131 I134 Q135 N144F92-L129 HydrophobicContact CB-CD2 3.57Å; F92-L129 HydrophobicContact CD1-CD2 4.24Å; F92-L129 HydrophobicContact CD2-CD2 4.19Å; F92-L129 HydrophobicContact CG-CD2 3.74Å; T126-L129 HydrophobicContact CG2-CD1 3.85Å; T126-L129 HydrophobicContact CG2-CD2 3.92Å; T126-L129 HydrophobicContact CG2-CG 3.63Å; M127-L129 PolarHBondContact O-N 2.87Å; L129-A131 PolarHBondContact O-N 2.96Å; L129-I134 HydrophobicContact CD1-CB 4.1Å; L129-I134 HydrophobicContact CD1-CG2 4.23Å; L129-I134 HydrophobicContact CD2-CB 4.19Å; L129-I134 HydrophobicContact CD2-CD1 4.19Å; L129-I134 HydrophobicContact CD2-CG2 3.86Å; L129-Q135 HydrophobicContact CD1-CG 3.8Å; L129-N144 WeakPolarHBondContact CB-OD1 3.29Å; L129-N144 HydrophobicContact CD1-CB 4.07Å; L129-N144 VanDerWaalsContact CG-OD1 3.26Å; L129-N144 WeakPolarHBondContact CG-OD1 3.37Å; L129-N144 PolarHBondContact N-OD1 3.42Å
130H95.6Very high97.7Very high63 Ų6336.9 Ų36.929%0.29221%0.21SC..SBendtrans-48.5-41.2178.8-177.362.5000112.4A95 D128 D221 M222A95-H130 HydrophobicContact CB-CB 3.74Å; D128-H130 PolarHBondContact O-N 3.06Å; H130-D221 WeakPolarHBondContact CA-OD2 3.35Å; H130-D221 IonicContact CE1-OD2 3.37Å; H130-D221 IonicContact CG-OD2 3.13Å; H130-D221 IonicContact ND1-OD1 2.78Å; H130-D221 IonicContact ND1-OD2 3.21Å; H130-D221 PolarHBondContact ND1-OD2 3.07Å; H130-M222 HydrophobicContact CB-CE 4.15Å
131A94.7Very high97.7Very high11 Ų1139.2 Ų39.29%0.09123%0.229CC..SBendtrans-130.3126.517100000109.9D98 L129 Q133 I134D98-A131 HydrophobicContact CB-CB 4.45Å; D98-A131 VanDerWaalsContact OD2-CB 3.27Å; D98-A131 WeakPolarHBondContact OD2-CB 3.32Å; L129-A131 PolarHBondContact O-N 2.96Å; A131-Q133 PolarHBondContact O-N 3.24Å; A131-I134 HydrophobicContact CB-CD1 4.37Å; A131-I134 HydrophobicContact CB-CG1 4.39Å; A131-I134 WeakPolarHBondContact O-CB 3.16Å; A131-I134 WeakPolarHBondContact O-CG1 3.41Å; A131-I134 PolarHBondContact O-N 3.44Å
132S94.6Very high97.7Very high65 Ų6539.9 Ų39.946%0.45523%0.232SC..G310 helixtrans-54.7-27.2177.458.10000113.8I134 Q135S132-I134 PolarHBondContact O-N 2.88Å; S132-Q135 WeakPolarHBondContact O-CB 3.39Å; S132-Q135 WeakPolarHBondContact O-CG 3.39Å; S132-Q135 PolarHBondContact O-N 2.83Å; S132-Q135 PolarHBondContact O-NE2 3.4Å
133Q97.1Very high97.7Very high123 Ų12338.8 Ų38.858%0.57523%0.226SC*.G310 helixtrans-65.1-19.6179.8-67.278.4-0.700113A131 Q135 G136A131-Q133 PolarHBondContact O-N 3.24Å; Q133-Q135 PolarHBondContact O-N 3.36Å; Q133-G136 WeakPolarHBondContact O-CA 3.34Å; Q133-G136 PolarHBondContact O-N 2.94Å
134I98.1Very high97.6Very high0 Ų038.3 Ų38.30%022%0.224CC..G310 helixtrans-58.9-27.8175.2-65.6167.9000110.9F92 A95 D98 A109 L129 A131 S132 G136 F137 F138F92-I134 HydrophobicContact CD1-CG2 4.33Å; F92-I134 HydrophobicContact CE1-CG2 4.04Å; F92-I134 HydrophobicContact CZ-CG2 4.34Å; A95-I134 HydrophobicContact CB-CD1 3.94Å; D98-I134 HydrophobicContact CB-CD1 4.39Å; D98-I134 HydrophobicContact CB-CG1 4.25Å; A109-I134 HydrophobicContact CB-CD1 4.46Å; A109-I134 HydrophobicContact CB-CG1 4.48Å; L129-I134 HydrophobicContact CD1-CB 4.1Å; L129-I134 HydrophobicContact CD1-CG2 4.23Å; L129-I134 HydrophobicContact CD2-CB 4.19Å; L129-I134 HydrophobicContact CD2-CD1 4.19Å; L129-I134 HydrophobicContact CD2-CG2 3.86Å; A131-I134 HydrophobicContact CB-CD1 4.37Å; A131-I134 HydrophobicContact CB-CG1 4.39Å; A131-I134 WeakPolarHBondContact O-CB 3.16Å; A131-I134 WeakPolarHBondContact O-CG1 3.41Å; A131-I134 PolarHBondContact O-N 3.44Å; S132-I134 PolarHBondContact O-N 2.88Å; I134-G136 PolarHBondContact O-N 2.95Å; I134-F137 HydrophobicContact CB-CD2 4.27Å; I134-F137 HydrophobicContact CG1-CD2 4.2Å; I134-F137 HydrophobicContact CG1-CE2 3.96Å; I134-F137 HydrophobicContact CG2-CD2 4.13Å; I134-F137 VanDerWaalsContact O-CB 3.24Å; I134-F137 WeakPolarHBondContact O-CB 3.19Å; I134-F137 PolarHBondContact O-N 2.77Å; I134-F138 HydrophobicContact CG2-CE2 4.42Å
135Q98Very high97.6Very high68 Ų6838.3 Ų38.332%0.31822%0.224SC..G310 helixtrans-56-40.9171.6-67.5178.368.800111.8L129 S132 Q133 F137 F138 V142 N144L129-Q135 HydrophobicContact CD1-CG 3.8Å; S132-Q135 WeakPolarHBondContact O-CB 3.39Å; S132-Q135 WeakPolarHBondContact O-CG 3.39Å; S132-Q135 PolarHBondContact O-N 2.83Å; S132-Q135 PolarHBondContact O-NE2 3.4Å; Q133-Q135 PolarHBondContact O-N 3.36Å; Q135-F137 PolarHBondContact O-N 3.09Å; Q135-F138 PolarHBondContact O-N 3.28Å; Q135-V142 HydrophobicContact CB-CB 4.49Å; Q135-V142 HydrophobicContact CG-CB 4.22Å; Q135-V142 HydrophobicContact CG-CG1 3.99Å; Q135-N144 HydrophobicContact CG-CB 4.3Å
136G98.1Very high97.5Very high62 Ų6241.9 Ų41.964%0.63924%0.238SC*.G310 helixtrans-74.81.7176.500000114.7Q133 I134 F138Q133-G136 WeakPolarHBondContact O-CA 3.34Å; Q133-G136 PolarHBondContact O-N 2.94Å; I134-G136 PolarHBondContact O-N 2.95Å; G136-F138 VanDerWaalsContact C-N 3.31Å
137F98.4Very high97.4Very high36 Ų3641.8 Ų41.816%0.15824%0.238CC..G310 helixtrans-79.9-18.8168.8-66.9-8.9000112.5D98 I107 A109 K110 A113 I134 Q135D98-F137 HydrophobicContact CB-CE2 4.35Å; D98-F137 HydrophobicContact CB-CZ 4.44Å; D98-F137 WeakPolarHBondContact O-CZ 3.2Å; I107-F137 HydrophobicContact CG2-CE2 4.03Å; I107-F137 HydrophobicContact CG2-CZ 3.95Å; A109-F137 HydrophobicContact CB-CD2 4.15Å; A109-F137 HydrophobicContact CB-CE2 3.82Å; K110-F137 HydrophobicContact CB-CD1 4.48Å; K110-F137 HydrophobicContact CB-CD2 3.86Å; K110-F137 HydrophobicContact CB-CE2 4.09Å; K110-F137 HydrophobicContact CB-CG 4.08Å; K110-F137 HydrophobicContact CB-CZ 4.49Å; K110-F137 HydrophobicContact CD-CB 3.7Å; K110-F137 HydrophobicContact CD-CD1 4.09Å; K110-F137 HydrophobicContact CD-CD2 4.47Å; K110-F137 HydrophobicContact CD-CG 3.84Å; K110-F137 PolarHBondContact NZ-O 2.88Å; A113-F137 HydrophobicContact CB-CB 3.75Å; I134-F137 HydrophobicContact CB-CD2 4.27Å; I134-F137 HydrophobicContact CG1-CD2 4.2Å; I134-F137 HydrophobicContact CG1-CE2 3.96Å; I134-F137 HydrophobicContact CG2-CD2 4.13Å; I134-F137 VanDerWaalsContact O-CB 3.24Å; I134-F137 WeakPolarHBondContact O-CB 3.19Å; I134-F137 PolarHBondContact O-N 2.77Å; Q135-F137 PolarHBondContact O-N 3.09Å
138F98.5Very high97.3Very high13 Ų1343.2 Ų43.26%0.05724%0.244CC..  trans-100.4147.1176.9-65.6-90.3000111F92 A113 L116 I124 I134 Q135 G136 I140 V142F92-F138 AromaticContact CE2-CE2 3.96Å; F92-F138 HydrophobicContact CE2-CE2 3.96Å; F92-F138 AromaticContact CE2-CZ 3.7Å; F92-F138 HydrophobicContact CE2-CZ 3.7Å; F92-F138 AromaticContact CZ-CE2 3.86Å; F92-F138 HydrophobicContact CZ-CE2 3.86Å; F92-F138 AromaticContact CZ-CZ 3.68Å; F92-F138 HydrophobicContact CZ-CZ 3.68Å; A113-F138 VanDerWaalsContact CA-CE1 3.45Å; A113-F138 VanDerWaalsContact CA-CZ 3.43Å; A113-F138 HydrophobicContact CB-CD1 3.97Å; A113-F138 HydrophobicContact CB-CD2 3.89Å; A113-F138 HydrophobicContact CB-CE1 3.62Å; A113-F138 HydrophobicContact CB-CE2 3.53Å; A113-F138 HydrophobicContact CB-CG 4.11Å; A113-F138 HydrophobicContact CB-CZ 3.4Å; L116-F138 HydrophobicContact CB-CE1 4.11Å; L116-F138 HydrophobicContact CD1-CE1 4.13Å; L116-F138 HydrophobicContact CD1-CZ 3.96Å; I124-F138 HydrophobicContact CD1-CE1 4.02Å; I124-F138 HydrophobicContact CD1-CZ 4.42Å; I124-F138 HydrophobicContact CG1-CD1 4.08Å; I124-F138 HydrophobicContact CG1-CE1 3.79Å; I124-F138 HydrophobicContact CG1-CZ 4.09Å; I134-F138 HydrophobicContact CG2-CE2 4.42Å; Q135-F138 PolarHBondContact O-N 3.28Å; G136-F138 VanDerWaalsContact C-N 3.31Å; F138-I140 HydrophobicContact CB-CG1 3.95Å; F138-I140 HydrophobicContact CD1-CD1 4Å; F138-I140 HydrophobicContact CD1-CG1 3.83Å; F138-I140 HydrophobicContact CG-CG1 4.29Å; F138-V142 HydrophobicContact CB-CG2 3.74Å; F138-V142 HydrophobicContact CD2-CG2 3.69Å; F138-V142 HydrophobicContact CE2-CG2 4.45Å; F138-V142 HydrophobicContact CG-CG2 3.79Å
139D97.9Very high97.2Very high163 Ų16342.7 Ų42.787%0.87224%0.242SC*.SBendtrans-95.1-13.8166.3-58.9-51.5000111.6
140I98.1Very high97.1Very high44 Ų4442.3 Ų42.323%0.22624%0.241CC..SBendtrans-85160.8171.360.3176.1000110.7A121 I124 F138A121-I140 HydrophobicContact CB-CD1 4.14Å; A121-I140 WeakPolarHBondContact O-CD1 3.47Å; I124-I140 HydrophobicContact CD1-CD1 4.02Å; I124-I140 HydrophobicContact CG1-CD1 3.82Å; I124-I140 HydrophobicContact CG1-CG1 4.4Å; F138-I140 HydrophobicContact CB-CG1 3.95Å; F138-I140 HydrophobicContact CD1-CD1 4Å; F138-I140 HydrophobicContact CD1-CG1 3.83Å; F138-I140 HydrophobicContact CG-CG1 4.29Å
141A97.8Very high97.2Very high61 Ų6139.6 Ų39.650%0.50423%0.229SC..EExtended strand (participates in β ladder)trans-64.7143.5177.700000111.5H123 I124H123-A141 PolarHBondContact CD2-O 3.39Å; I124-A141 PolarHBondContact N-O 2.95Å
142V98.5Very high97.3Very high18 Ų1839.4 Ų39.411%0.10923%0.226CC..EExtended strand (participates in β ladder)trans-133.5114.2178.3-176.90000108.7I124 T126 Q135 F138 N144I124-V142 HydrophobicContact CB-CB 4.42Å; I124-V142 HydrophobicContact CB-CG1 4.14Å; I124-V142 HydrophobicContact CB-CG2 4.11Å; I124-V142 HydrophobicContact CG1-CG2 4.27Å; I124-V142 HydrophobicContact CG2-CG1 4.22Å; I124-V142 CarbonylContact O-C 3.52Å; I124-V142 WeakPolarHBondContact O-CA 3.36Å; T126-V142 HydrophobicContact CG2-CG1 4.26Å; Q135-V142 HydrophobicContact CB-CB 4.49Å; Q135-V142 HydrophobicContact CG-CB 4.22Å; Q135-V142 HydrophobicContact CG-CG1 3.99Å; F138-V142 HydrophobicContact CB-CG2 3.74Å; F138-V142 HydrophobicContact CD2-CG2 3.69Å; F138-V142 HydrophobicContact CE2-CG2 4.45Å; F138-V142 HydrophobicContact CG-CG2 3.79Å; V142-N144 PolarHBondContact O-N 3.32Å
143D98.2Very high97.4Very high36 Ų3639.9 Ų39.919%0.19322%0.222CC..EExtended strand (participates in β ladder)trans-90.1100.1168.9-75.8-30.9000109.3H123 I124 I125 T126 L145 V309H123-D143 IonicContact CE1-OD2 3.8Å; H123-D143 PolarHBondContact CE1-OD2 3.2Å; H123-D143 IonicContact NE2-OD2 3.94Å; H123-D143 PolarHBondContact NE2-OD2 2.87Å; I124-D143 PolarHBondContact O-N 2.96Å; I125-D143 HydrophobicContact CG1-CB 4.33Å; T126-D143 PolarHBondContact N-O 3.37Å; D143-L145 PolarHBondContact O-N 2.87Å; D143-V309 HydrophobicContact CB-CG1 4.38Å
144N97.8Very high97.4Very high5 Ų535.1 Ų35.13%0.02720%0.198CC..EExtended strand (participates in β ladder)trans-87.899.4171.7176.671.6000110.3T126 L129 Q135 V142 Y146 F313T126-N144 HydrophobicContact CG2-CB 4.3Å; L129-N144 WeakPolarHBondContact CB-OD1 3.29Å; L129-N144 HydrophobicContact CD1-CB 4.07Å; L129-N144 VanDerWaalsContact CG-OD1 3.26Å; L129-N144 WeakPolarHBondContact CG-OD1 3.37Å; L129-N144 PolarHBondContact N-OD1 3.42Å; Q135-N144 HydrophobicContact CG-CB 4.3Å; V142-N144 PolarHBondContact O-N 3.32Å; N144-Y146 VanDerWaalsContact ND2-CE1 3.34Å; N144-Y146 WeakPolarHBondContact ND2-CE1 3.46Å; N144-Y146 VanDerWaalsContact ND2-CZ 3.3Å; N144-Y146 PolarHBondContact ND2-OH 3.05Å; N144-Y146 WeakPolarHBondContact O-CE2 3.36Å; N144-F313 WeakPolarHBondContact O-CE1 3.47Å
145L97.8Very high97.4Very high0 Ų035.1 Ų35.10%020%0.198CC..EExtended strand (participates in β ladder)trans-73.2162.1175.6-49.5-178.1000111I125 T126 M127 D128 D143 I295 L296 A299 V309 F313I125-L145 HydrophobicContact CG2-CD1 3.8Å; I125-L145 HydrophobicContact CG2-CG 4.17Å; T126-L145 WeakPolarHBondContact O-CB 3.38Å; T126-L145 WeakPolarHBondContact O-CG 3.45Å; T126-L145 PolarHBondContact O-N 3.19Å; M127-L145 WeakPolarHBondContact CA-O 3.39Å; M127-L145 HydrophobicContact CB-CB 4.48Å; M127-L145 HydrophobicContact CE-CB 4.34Å; D128-L145 PolarHBondContact N-O 3.41Å; D143-L145 PolarHBondContact O-N 2.87Å; L145-I295 HydrophobicContact CB-CG2 4.48Å; L145-I295 HydrophobicContact CD1-CG2 3.94Å; L145-L296 HydrophobicContact CD1-CD2 3.84Å; L145-A299 HydrophobicContact CD1-CB 3.67Å; L145-A299 HydrophobicContact CD2-CB 4.01Å; L145-A299 HydrophobicContact CG-CB 4.47Å; L145-V309 HydrophobicContact CD2-CG1 3.76Å; L145-F313 HydrophobicContact CD2-CE1 3.95Å
146Y96.4Very high97.4Very high74 Ų7437.4 Ų37.429%0.2920%0.204SC..  trans-125.7134.1-179.5-61.1-80.8000110.3D128 N144 P149 F313D128-Y146 WeakPolarHBondContact OD1-CD1 3.24Å; N144-Y146 VanDerWaalsContact ND2-CE1 3.34Å; N144-Y146 WeakPolarHBondContact ND2-CE1 3.46Å; N144-Y146 VanDerWaalsContact ND2-CZ 3.3Å; N144-Y146 PolarHBondContact ND2-OH 3.05Å; N144-Y146 WeakPolarHBondContact O-CE2 3.36Å; Y146-P149 WeakPolarHBondContact O-CD 3.35Å; Y146-F313 HydrophobicContact CD2-CB 3.97Å; Y146-F313 AromaticContact CD2-CD1 3.73Å; Y146-F313 HydrophobicContact CD2-CD1 3.73Å; Y146-F313 HydrophobicContact CD2-CE1 4.37Å; Y146-F313 AromaticContact CD2-CG 3.87Å; Y146-F313 HydrophobicContact CD2-CG 3.87Å; Y146-F313 HydrophobicContact CE2-CB 4.36Å; Y146-F313 HydrophobicContact CE2-CD1 4.05Å; Y146-F313 HydrophobicContact CE2-CD2 4.28Å; Y146-F313 HydrophobicContact CE2-CE1 4.4Å; Y146-F313 AromaticContact CE2-CG 3.99Å; Y146-F313 HydrophobicContact CE2-CG 3.99Å
147A96.7Very high97.4Very high0 Ų040.8 Ų40.80%020%0.203CC..SBendtrans-78.9-9.6169.500000112.3M127 D128 A150 V151 T249 T272M127-A147 HydrophobicContact SD-CB 4.2Å; D128-A147 WeakPolarHBondContact OD2-CB 3.44Å; D128-A147 PolarHBondContact OD2-N 3.12Å; A147-A150 WeakPolarHBondContact O-CA 3.34Å; A147-A150 WeakPolarHBondContact O-CB 3.38Å; A147-A150 PolarHBondContact O-N 3.05Å; A147-V151 HydrophobicContact CB-CG2 4.37Å; A147-V151 WeakPolarHBondContact O-CG2 3.47Å; A147-V151 PolarHBondContact O-N 3.03Å; A147-T249 HydrophobicContact CB-CG2 3.84Å; A147-T272 HydrophobicContact CB-CG2 3.97Å
148E96Very high97.4Very high29 Ų2942.5 Ų42.514%0.13621%0.214CC..Hα-helixtrans-46.6-47.3-178.1175.3176.7-169.100113.8A150 V151 L152 S180 I181 R184E148-A150 VanDerWaalsContact C-N 3.34Å; E148-A150 PolarHBondContact O-N 2.99Å; E148-V151 PolarHBondContact O-N 3.49Å; E148-L152 HydrophobicContact CG-CD1 3.94Å; E148-L152 HydrophobicContact CG-CG 4.35Å; E148-L152 WeakPolarHBondContact O-CB 3.23Å; E148-L152 WeakPolarHBondContact O-CG 3.43Å; E148-L152 PolarHBondContact O-N 3.34Å; E148-S180 PolarHBondContact OE1-OG 3.23Å; E148-S180 PolarHBondContact OE2-OG 2.74Å; E148-I181 HydrophobicContact CG-CG1 4.08Å; E148-R184 VanDerWaalsContact OE1-CD 3.25Å; E148-R184 WeakPolarHBondContact OE1-CD 3.42Å; E148-R184 IonicContact OE1-CZ 3.36Å; E148-R184 IonicContact OE1-NE 3.81Å; E148-R184 PolarHBondContact OE1-NE 3.3Å; E148-R184 IonicContact OE1-NH1 2.8Å; E148-R184 IonicContact OE1-NH2 2.83Å; E148-R184 IonicContact OE2-CZ 3.14Å; E148-R184 IonicContact OE2-NH2 2.72Å
149P94.8Very high97.3Very high10 Ų1041.9 Ų41.97%0.06521%0.211CC..Hα-helixtrans-59.6-41.4176.8-24.736.4000113.4Y146 L152 Q153 V316Y146-P149 WeakPolarHBondContact O-CD 3.35Å; P149-L152 PolarHBondContact O-N 3.49Å; P149-Q153 PolarHBondContact O-N 3.24Å; P149-V316 HydrophobicContact CB-CG2 3.55Å; P149-V316 WeakPolarHBondContact O-CG2 3.4Å
150A96.2Very high97.3Very high7 Ų739.2 Ų39.26%0.05820%0.203CC..Hα-helixtrans-72.5-35.8179.300000111.8A147 E148 Q153 W154 I290 I295 V316A147-A150 WeakPolarHBondContact O-CA 3.34Å; A147-A150 WeakPolarHBondContact O-CB 3.38Å; A147-A150 PolarHBondContact O-N 3.05Å; E148-A150 VanDerWaalsContact C-N 3.34Å; E148-A150 PolarHBondContact O-N 2.99Å; A150-Q153 PolarHBondContact O-N 2.97Å; A150-W154 WeakPolarHBondContact O-CB 3.4Å; A150-W154 PolarHBondContact O-N 2.91Å; A150-I290 HydrophobicContact CB-CG2 3.76Å; A150-I295 HydrophobicContact CB-CD1 4.24Å; A150-V316 HydrophobicContact CB-CG2 4.27Å
151V97.3Very high97.2Very high6 Ų641.4 Ų41.44%0.03621%0.212CC..Hα-helixtrans-62.8-45.8172.5167.90000111A147 E148 Q153 W154 I155 I181 I247 I290A147-V151 HydrophobicContact CB-CG2 4.37Å; A147-V151 WeakPolarHBondContact O-CG2 3.47Å; A147-V151 PolarHBondContact O-N 3.03Å; E148-V151 PolarHBondContact O-N 3.49Å; V151-Q153 VanDerWaalsContact C-N 3.32Å; V151-Q153 PolarHBondContact O-N 3.38Å; V151-W154 PolarHBondContact O-N 2.99Å; V151-I155 HydrophobicContact CG1-CD1 3.82Å; V151-I155 HydrophobicContact CG1-CG1 4.43Å; V151-I155 VanDerWaalsContact O-CG1 3.3Å; V151-I155 WeakPolarHBondContact O-CG1 3.48Å; V151-I155 PolarHBondContact O-N 2.81Å; V151-I181 HydrophobicContact CG1-CD1 4.49Å; V151-I247 HydrophobicContact CB-CG2 4.4Å; V151-I247 HydrophobicContact CG1-CD1 4.02Å; V151-I247 HydrophobicContact CG1-CG2 3.84Å; V151-I247 HydrophobicContact CG2-CG2 3.74Å; V151-I290 HydrophobicContact CG2-CD1 4.25Å
152L96.9Very high97.1Very high7 Ų740.9 Ų40.94%0.03720%0.197CC..Hα-helixtrans-60.8-42177-71.2167000111.8E148 P149 R156 I181 R184 L185E148-L152 HydrophobicContact CG-CD1 3.94Å; E148-L152 HydrophobicContact CG-CG 4.35Å; E148-L152 WeakPolarHBondContact O-CB 3.23Å; E148-L152 WeakPolarHBondContact O-CG 3.43Å; E148-L152 PolarHBondContact O-N 3.34Å; P149-L152 PolarHBondContact O-N 3.49Å; L152-R156 VanDerWaalsContact O-CG 3.3Å; L152-R156 WeakPolarHBondContact O-CG 3.22Å; L152-R156 PolarHBondContact O-N 3.16Å; L152-I181 HydrophobicContact CD2-CG2 3.96Å; L152-R184 HydrophobicContact CD1-CB 4.04Å; L152-R184 HydrophobicContact CD1-CG 4.47Å; L152-R184 HydrophobicContact CD2-CB 4.11Å; L152-L185 HydrophobicContact CD2-CD1 4Å; L152-L185 HydrophobicContact CD2-CD2 3.6Å; L152-L185 HydrophobicContact CD2-CG 3.47Å; L152-L185 VanDerWaalsContact CD2-CG 3.47Å
153Q96.6Very high97.1Very high76 Ų7647 Ų4736%0.35522%0.222SC..Hα-helixtrans-61.8-50.6174.8-178.1175.9-1.500110.9P149 A150 V151 I155 R156 E157P149-Q153 PolarHBondContact O-N 3.24Å; A150-Q153 PolarHBondContact O-N 2.97Å; V151-Q153 VanDerWaalsContact C-N 3.32Å; V151-Q153 PolarHBondContact O-N 3.38Å; Q153-I155 VanDerWaalsContact C-N 3.35Å; Q153-I155 PolarHBondContact O-N 3.25Å; Q153-R156 PolarHBondContact O-N 3.26Å; Q153-E157 HydrophobicContact CG-CG 4.41Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.47Å; Q153-E157 PolarHBondContact NE2-OE1 3.33Å; Q153-E157 WeakPolarHBondContact O-CG 3.47Å; Q153-E157 PolarHBondContact O-N 2.86Å
154W98.1Very high96.9Very high23 Ų2351.1 Ų51.19%0.08724%0.244CC..Hα-helixtrans-58.3-44.7-179.9-17494000112A150 V151 R156 E157 N158 I159 Y245 I247 V270 Q288 I290A150-W154 WeakPolarHBondContact O-CB 3.4Å; A150-W154 PolarHBondContact O-N 2.91Å; V151-W154 PolarHBondContact O-N 2.99Å; W154-R156 PolarHBondContact O-N 3.4Å; W154-E157 PolarHBondContact O-N 3.25Å; W154-N158 HydrophobicContact CD2-CB 4.12Å; W154-N158 HydrophobicContact CE3-CB 4.38Å; W154-N158 HydrophobicContact CH2-CB 3.91Å; W154-N158 HydrophobicContact CZ2-CB 3.64Å; W154-N158 HydrophobicContact CZ3-CB 4.29Å; W154-N158 PolarHBondContact NE1-ND2 3.14Å; W154-N158 VanDerWaalsContact O-CB 3.31Å; W154-N158 WeakPolarHBondContact O-CB 3.5Å; W154-N158 PolarHBondContact O-N 3.35Å; W154-N158 PolarHBondContact O-ND2 2.75Å; W154-I159 HydrophobicContact CH2-CG1 4.32Å; W154-I159 HydrophobicContact CZ3-CD1 3.84Å; W154-I159 HydrophobicContact CZ3-CG1 3.94Å; W154-Y245 HydrophobicContact CH2-CD1 4.01Å; W154-Y245 HydrophobicContact CH2-CE1 4.18Å; W154-Y245 HydrophobicContact CZ3-CD1 4.43Å; W154-I247 HydrophobicContact CE3-CD1 3.94Å; W154-I247 HydrophobicContact CZ3-CD1 4.07Å; W154-V270 HydrophobicContact CD2-CG1 4.03Å; W154-V270 HydrophobicContact CD2-CG2 3.98Å; W154-V270 HydrophobicContact CE3-CG2 3.94Å; W154-V270 HydrophobicContact CG-CG1 4.3Å; W154-V270 HydrophobicContact CH2-CG2 3.3Å; W154-V270 HydrophobicContact CZ2-CG1 4.48Å; W154-V270 HydrophobicContact CZ2-CG2 3.28Å; W154-V270 HydrophobicContact CZ3-CG2 3.62Å; W154-Q288 VanDerWaalsContact CZ2-OE1 3.27Å; W154-I290 HydrophobicContact CB-CD1 3.81Å; W154-I290 HydrophobicContact CB-CG1 4.28Å; W154-I290 HydrophobicContact CG-CD1 4Å; W154-I290 HydrophobicContact CG-CG1 4.16Å
155I98.3Very high96.9Very high0 Ų050.9 Ų50.90%024%0.243CC..Hα-helixtrans-57.8-47.8177.4-70.6167000110.9V151 Q153 E157 I159 W162 I181 L185 I217 I247V151-I155 HydrophobicContact CG1-CD1 3.82Å; V151-I155 HydrophobicContact CG1-CG1 4.43Å; V151-I155 VanDerWaalsContact O-CG1 3.3Å; V151-I155 WeakPolarHBondContact O-CG1 3.48Å; V151-I155 PolarHBondContact O-N 2.81Å; Q153-I155 VanDerWaalsContact C-N 3.35Å; Q153-I155 PolarHBondContact O-N 3.25Å; I155-E157 VanDerWaalsContact C-N 3.3Å; I155-E157 PolarHBondContact O-N 2.88Å; I155-I159 HydrophobicContact CG2-CD1 4.43Å; I155-I159 WeakPolarHBondContact O-CB 3.42Å; I155-I159 PolarHBondContact O-N 2.99Å; I155-W162 HydrophobicContact CG2-CB 3.66Å; I155-W162 HydrophobicContact CG2-CG 4.39Å; I155-I181 HydrophobicContact CD1-CG2 4.35Å; I155-L185 HydrophobicContact CD1-CD1 3.97Å; I155-L185 HydrophobicContact CG2-CD1 3.96Å; I155-I217 HydrophobicContact CD1-CD1 4.43Å; I155-I217 HydrophobicContact CG1-CD1 4.41Å; I155-I217 HydrophobicContact CG2-CD1 4.02Å; I155-I247 HydrophobicContact CD1-CD1 3.77Å; I155-I247 HydrophobicContact CG1-CD1 3.51Å
156R97.4Very high96.9Very high116 Ų11650.9 Ų50.944%0.43824%0.243SC..Hα-helixtrans-65.8-33.3-177.3-71.9173.4-176.7140.2-0.2112.9L152 Q153 W154 W162 R184 L185L152-R156 VanDerWaalsContact O-CG 3.3Å; L152-R156 WeakPolarHBondContact O-CG 3.22Å; L152-R156 PolarHBondContact O-N 3.16Å; Q153-R156 PolarHBondContact O-N 3.26Å; W154-R156 PolarHBondContact O-N 3.4Å; R156-W162 HydrophobicContact CG-CD2 4.21Å; R156-W162 HydrophobicContact CG-CH2 4.39Å; R156-W162 HydrophobicContact CG-CZ2 4.03Å; R156-R184 PolarHBondContact NH2-O 3.47Å; R156-L185 HydrophobicContact CG-CD2 4.11Å
157E97.4Very high97Very high132 Ų13247.3 Ų47.362%0.61723%0.229SC*.Hα-helixtrans-85.6-28.6-177.1-69.8173.6-178.200113Q153 W154 I155Q153-E157 HydrophobicContact CG-CG 4.41Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.47Å; Q153-E157 PolarHBondContact NE2-OE1 3.33Å; Q153-E157 WeakPolarHBondContact O-CG 3.47Å; Q153-E157 PolarHBondContact O-N 2.86Å; W154-E157 PolarHBondContact O-N 3.25Å; I155-E157 VanDerWaalsContact C-N 3.3Å; I155-E157 PolarHBondContact O-N 2.88Å
158N98.1Very high97.1Very high72 Ų7247.3 Ų47.339%0.38523%0.229SC..Hα-helixtrans-115.5-16-168.1-63.8-87.5000115W154 P160W154-N158 HydrophobicContact CD2-CB 4.12Å; W154-N158 HydrophobicContact CE3-CB 4.38Å; W154-N158 HydrophobicContact CH2-CB 3.91Å; W154-N158 HydrophobicContact CZ2-CB 3.64Å; W154-N158 HydrophobicContact CZ3-CB 4.29Å; W154-N158 PolarHBondContact NE1-ND2 3.14Å; W154-N158 VanDerWaalsContact O-CB 3.31Å; W154-N158 WeakPolarHBondContact O-CB 3.5Å; W154-N158 PolarHBondContact O-N 3.35Å; W154-N158 PolarHBondContact O-ND2 2.75Å; N158-P160 WeakPolarHBondContact O-CD 3.19Å
159I97.8Very high97.2Very high1 Ų146 Ų461%0.00522%0.223CC..  trans-11399.5178.2-57.6-179.4000108.9W154 I155 E161 W162 V215 I217 Y245W154-I159 HydrophobicContact CH2-CG1 4.32Å; W154-I159 HydrophobicContact CZ3-CD1 3.84Å; W154-I159 HydrophobicContact CZ3-CG1 3.94Å; I155-I159 HydrophobicContact CG2-CD1 4.43Å; I155-I159 WeakPolarHBondContact O-CB 3.42Å; I155-I159 PolarHBondContact O-N 2.99Å; I159-E161 PolarHBondContact O-N 3.15Å; I159-E161 VanDerWaalsContact O-N 3.16Å; I159-W162 HydrophobicContact CB-CB 4.21Å; I159-W162 HydrophobicContact CG2-CB 4.26Å; I159-W162 VanDerWaalsContact O-CB 3.31Å; I159-W162 WeakPolarHBondContact O-CB 3.39Å; I159-W162 PolarHBondContact O-N 3.16Å; I159-V215 HydrophobicContact CG2-CG1 4.08Å; I159-I217 HydrophobicContact CD1-CD1 3.52Å; I159-I217 HydrophobicContact CD1-CG1 3.91Å; I159-Y245 HydrophobicContact CD1-CD1 4.01Å; I159-Y245 HydrophobicContact CD1-CD2 3.76Å; I159-Y245 HydrophobicContact CD1-CE1 4.2Å; I159-Y245 HydrophobicContact CD1-CE2 3.96Å; I159-Y245 HydrophobicContact CD1-CG 3.78Å; I159-Y245 HydrophobicContact CG1-CD1 4.32Å; I159-Y245 HydrophobicContact CG1-CD2 4.37Å; I159-Y245 HydrophobicContact CG1-CE1 4.02Å; I159-Y245 HydrophobicContact CG1-CE2 4.06Å; I159-Y245 HydrophobicContact CG1-CG 4.48Å; I159-Y245 HydrophobicContact CG2-CE2 4.24Å
160P96.6Very high97.2Very high107 Ų10745.5 Ų45.570%0.69522%0.22SC*.THydrogen-bonded Turntrans-54.8-37.1-177.2-26.835000113.9N158 W162N158-P160 WeakPolarHBondContact O-CD 3.19Å; P160-W162 VanDerWaalsContact C-N 3.3Å; P160-W162 PolarHBondContact O-N 2.93Å
161E95.8Very high96.9Very high90 Ų9048.2 Ų48.242%0.42123%0.233SC..THydrogen-bonded Turntrans-88.813.3-176.9-53.184.1172.500113.5I159 K163 N164 S165 V215I159-E161 PolarHBondContact O-N 3.15Å; I159-E161 VanDerWaalsContact O-N 3.16Å; E161-K163 PolarHBondContact O-N 2.67Å; E161-N164 PolarHBondContact O-N 2.89Å; E161-S165 PolarHBondContact O-N 3.36Å; E161-V215 HydrophobicContact CB-CG2 3.91Å; E161-V215 HydrophobicContact CG-CG2 4.45Å
162W97.3Very high96.5Very high49 Ų4950.4 Ų50.419%0.18625%0.252CS..G310 helixtrans-53.8-33.2-172.571-97.9000113.6I155 R156 I159 P160 N164 S165 L185 V187I155-W162 HydrophobicContact CG2-CB 3.66Å; I155-W162 HydrophobicContact CG2-CG 4.39Å; R156-W162 HydrophobicContact CG-CD2 4.21Å; R156-W162 HydrophobicContact CG-CH2 4.39Å; R156-W162 HydrophobicContact CG-CZ2 4.03Å; I159-W162 HydrophobicContact CB-CB 4.21Å; I159-W162 HydrophobicContact CG2-CB 4.26Å; I159-W162 VanDerWaalsContact O-CB 3.31Å; I159-W162 WeakPolarHBondContact O-CB 3.39Å; I159-W162 PolarHBondContact O-N 3.16Å; P160-W162 VanDerWaalsContact C-N 3.3Å; P160-W162 PolarHBondContact O-N 2.93Å; W162-N164 PolarHBondContact O-N 3.3Å; W162-S165 VanDerWaalsContact O-CB 3.29Å; W162-S165 WeakPolarHBondContact O-CB 3.49Å; W162-S165 PolarHBondContact O-N 3Å; W162-S165 VanDerWaalsContact O-N 3.08Å; W162-S165 PolarHBondContact O-OG 3.48Å; W162-L185 HydrophobicContact CE3-CB 4.4Å; W162-L185 HydrophobicContact CE3-CD2 3.97Å; W162-L185 HydrophobicContact CZ3-CB 4.24Å; W162-L185 HydrophobicContact CZ3-CD2 3.93Å; W162-L185 WeakPolarHBondContact CZ3-O 3.47Å; W162-V187 WeakPolarHBondContact O-CG1 3.48Å
163K97.1Very high96.1Very high146 Ų14653.4 Ų53.464%0.63529%0.285SS*.G310 helixtrans-63-24.5179.5-66.6-176-179.9178.40114.1E161E161-K163 PolarHBondContact O-N 2.67Å
164N95Very high95.9Very high123 Ų12349.8 Ų49.866%0.65827%0.268SS*.G310 helixtrans-113.317.7177.3-65.6-14.6000111.5E161 W162 R214E161-N164 PolarHBondContact O-N 2.89Å; W162-N164 PolarHBondContact O-N 3.3Å; N164-R214 WeakPolarHBondContact O-CG 3.25Å
165S97.5Very high95.7Very high0 Ų050 Ų500%028%0.275CS..  trans-79.2170.7178.370.70000112.2E161 W162 V215E161-S165 PolarHBondContact O-N 3.36Å; W162-S165 VanDerWaalsContact O-CB 3.29Å; W162-S165 WeakPolarHBondContact O-CB 3.49Å; W162-S165 PolarHBondContact O-N 3Å; W162-S165 VanDerWaalsContact O-N 3.08Å; W162-S165 PolarHBondContact O-OG 3.48Å; S165-V215 CarbonylContact C-O 3.42Å; S165-V215 WeakPolarHBondContact CA-O 3.31Å; S165-V215 WeakPolarHBondContact CB-O 3.3Å
166C98.1Very high95.5Very high0 Ų058.6 Ų58.60%031%0.312CS..EExtended strand (participates in β ladder)trans-127.2124.6172.5-174.70000109.3E188 F189 V211 V215 A216 I217C166-E188 WeakPolarHBondContact CA-O 3.34Å; C166-F189 VanDerWaalsContact SG-C 3.57Å; C166-V211 HydrophobicContact CB-CG1 4.28Å; C166-V215 PolarHBondContact N-O 2.84Å; C166-A216 WeakPolarHBondContact O-CA 3.43Å; C166-I217 PolarHBondContact O-N 2.71Å
167I98.6Very high95.4Very high0 Ų056.1 Ų56.10%030%0.303CS..EExtended strand (participates in β ladder)trans-85.2123.9177.8-48.5-56.4000109V178 I181 A182 L185 V187 E188 F189 A190 I217 V219I167-V178 HydrophobicContact CB-CB 4.49Å; I167-V178 HydrophobicContact CG2-CB 3.74Å; I167-V178 HydrophobicContact CG2-CG1 4Å; I167-I181 HydrophobicContact CD1-CG2 4.21Å; I167-I181 HydrophobicContact CG1-CG2 4.13Å; I167-I181 HydrophobicContact CG2-CB 4.41Å; I167-I181 HydrophobicContact CG2-CG2 4.24Å; I167-A182 HydrophobicContact CB-CB 4.24Å; I167-A182 HydrophobicContact CG1-CB 4.02Å; I167-L185 HydrophobicContact CD1-CD1 4.03Å; I167-V187 HydrophobicContact CD1-CG2 4.23Å; I167-V187 HydrophobicContact CG1-CG2 3.76Å; I167-E188 PolarHBondContact N-O 2.55Å; I167-F189 CarbonylContact O-C 3.58Å; I167-F189 WeakPolarHBondContact O-CA 3.23Å; I167-F189 WeakPolarHBondContact O-CB 3.36Å; I167-A190 PolarHBondContact O-N 2.65Å; I167-I217 HydrophobicContact CD1-CB 4.02Å; I167-I217 HydrophobicContact CD1-CD1 3.88Å; I167-I217 HydrophobicContact CD1-CG1 4.42Å; I167-V219 HydrophobicContact CG2-CB 4.38Å; I167-V219 HydrophobicContact CG2-CG2 3.75Å
168V98.4Very high95.4Very high0 Ų049.8 Ų49.80%027%0.273CS..EExtended strand (participates in β ladder)trans-116.8128.8-169.8-170.60000111.2A190 I192 V211 A216 I217 L218 V219 L236V168-A190 WeakPolarHBondContact CA-O 3.23Å; V168-A190 HydrophobicContact CG1-CB 4.4Å; V168-A190 HydrophobicContact CG2-CB 4.21Å; V168-I192 HydrophobicContact CG1-CD1 3.95Å; V168-I192 HydrophobicContact CG1-CG1 4.1Å; V168-V211 HydrophobicContact CG2-CG1 4.33Å; V168-A216 HydrophobicContact CG2-CB 4.05Å; V168-I217 PolarHBondContact N-O 3.28Å; V168-L218 HydrophobicContact CB-CD2 3.89Å; V168-L218 HydrophobicContact CB-CG 4.37Å; V168-L218 HydrophobicContact CG1-CD2 3.77Å; V168-L218 WeakPolarHBondContact O-CA 3.13Å; V168-V219 PolarHBondContact O-N 3.3Å; V168-L236 HydrophobicContact CB-CD1 4.34Å; V168-L236 HydrophobicContact CG1-CD1 4.23Å; V168-L236 HydrophobicContact CG1-CD2 4.08Å; V168-L236 HydrophobicContact CG2-CD1 4.19Å; V168-L236 HydrophobicContact CG2-CD2 3.96Å
169S97.7Very high95.3Very high0 Ų048.2 Ų48.20%027%0.266CS..EExtended strand (participates in β ladder)trans-86.9129.4169.1-172.80000110.3D171 G174 A190 I192S169-D171 WeakPolarHBondContact CB-O 3.44Å; S169-D171 PolarHBondContact O-N 3.49Å; S169-D171 PolarHBondContact OG-O 3.29Å; S169-G174 VanDerWaalsContact OG-C 3.22Å; S169-G174 VanDerWaalsContact OG-CA 3.23Å; S169-G174 WeakPolarHBondContact OG-CA 3.3Å; S169-A190 PolarHBondContact N-O 3.22Å; S169-I192 PolarHBondContact O-N 2.93Å
170P94.7Very high95.3Very high1 Ų149.9 Ų49.91%0.00628%0.278CS..SBendtrans-72-17.1178.229.6-34.9000113.3L218 V219 D220 T228P170-L218 HydrophobicContact CB-CD2 4.23Å; P170-V219 VanDerWaalsContact CD-O 3.31Å; P170-V219 WeakPolarHBondContact CD-O 3.37Å; P170-D220 HydrophobicContact CG-CB 3.87Å; P170-T228 HydrophobicContact CB-CG2 4.4Å
171D91.3Very high95.3Very high63 Ų6345 Ų4534%0.33725%0.246SC..SBendtrans-144.7179174.469.337.7000112.8S169 G173 G174 I192S169-D171 WeakPolarHBondContact CB-O 3.44Å; S169-D171 PolarHBondContact O-N 3.49Å; S169-D171 PolarHBondContact OG-O 3.29Å; D171-G173 VanDerWaalsContact C-N 3.34Å; D171-G173 WeakPolarHBondContact OD1-CA 3.38Å; D171-G173 PolarHBondContact OD1-N 2.94Å; D171-G174 PolarHBondContact OD1-N 3.02Å; D171-I192 CarbonylContact C-O 3.56Å; D171-I192 WeakPolarHBondContact CA-O 3.27Å
172A88.9Confident95.4Very high52 Ų5240.7 Ų40.743%0.4323%0.226SC..SBendtrans-74.1-22179.500000114.1L191A172-L191 HydrophobicContact CB-CD2 4.45Å
173G87.8Confident95.4Very high70 Ų7044.2 Ų44.272%0.72225%0.248SC*.THydrogen-bonded Turntrans-72.1-34.6-179.800000112.3D171 A175D171-G173 VanDerWaalsContact C-N 3.34Å; D171-G173 WeakPolarHBondContact OD1-CA 3.38Å; D171-G173 PolarHBondContact OD1-N 2.94Å; G173-A175 PolarHBondContact O-N 3.43Å
174G92.3Very high95.4Very high1 Ų142.1 Ų42.11%0.0124%0.237CC..THydrogen-bonded Turntrans-74.80178.500000115.8S169 D171 K176 R177 V178S169-G174 VanDerWaalsContact OG-C 3.22Å; S169-G174 VanDerWaalsContact OG-CA 3.23Å; S169-G174 WeakPolarHBondContact OG-CA 3.3Å; D171-G174 PolarHBondContact OD1-N 3.02Å; G174-K176 PolarHBondContact O-N 2.92Å; G174-R177 WeakPolarHBondContact O-CB 3.33Å; G174-R177 PolarHBondContact O-N 3.36Å; G174-V178 PolarHBondContact O-N 3.17Å; G174-V178 VanDerWaalsContact O-N 3.15Å
175A94.3Very high95.4Very high28 Ų2836.7 Ų36.723%0.23121%0.207CC..Hα-helixtrans-52.5-48.6-174.200000113.4G173 R177 V178 T179 L191G173-A175 PolarHBondContact O-N 3.43Å; A175-R177 VanDerWaalsContact C-N 3.28Å; A175-R177 PolarHBondContact O-N 3.04Å; A175-V178 VanDerWaalsContact O-CG2 3.23Å; A175-V178 WeakPolarHBondContact O-CG2 3.45Å; A175-V178 PolarHBondContact O-N 3.4Å; A175-T179 WeakPolarHBondContact O-CG2 3.35Å; A175-T179 PolarHBondContact O-N 2.88Å; A175-T179 PolarHBondContact O-OG1 2.68Å; A175-T179 VanDerWaalsContact O-OG1 3.12Å; A175-L191 HydrophobicContact CB-CD1 3.65Å
176K94.4Very high95.4Very high180 Ų18043.7 Ų43.778%0.78325%0.245SC*.Hα-helixtrans-63.5-33.8-179.6-70.2-174.5177.1-176.10113.1G174 T179 S180G174-K176 PolarHBondContact O-N 2.92Å; K176-T179 WeakPolarHBondContact CA-OG1 3.42Å; K176-T179 PolarHBondContact O-OG1 2.88Å; K176-T179 VanDerWaalsContact O-OG1 3.05Å; K176-S180 PolarHBondContact O-N 3.07Å
177R95.4Very high95.4Very high63 Ų6344.8 Ų44.824%0.23825%0.251CS..Hα-helixtrans-67.8-48.6-179.8-173.2-175-57.1128.40.2110.2G174 A175 S180 I181 V219 D220 D221G174-R177 WeakPolarHBondContact O-CB 3.33Å; G174-R177 PolarHBondContact O-N 3.36Å; A175-R177 VanDerWaalsContact C-N 3.28Å; A175-R177 PolarHBondContact O-N 3.04Å; R177-S180 PolarHBondContact O-N 3.45Å; R177-I181 HydrophobicContact CG-CD1 4.45Å; R177-I181 WeakPolarHBondContact O-CG1 3.31Å; R177-I181 PolarHBondContact O-N 2.84Å; R177-V219 HydrophobicContact CG-CG1 4.47Å; R177-D220 IonicContact NH1-OD1 3.95Å; R177-D220 PolarHBondContact NH1-OD1 3.28Å; R177-D221 VanDerWaalsContact CZ-CB 3.47Å; R177-D221 VanDerWaalsContact CZ-N 3.28Å; R177-D221 IonicContact CZ-OD1 3.75Å; R177-D221 IonicContact NH1-OD1 3.49Å; R177-D221 PolarHBondContact NH1-OD1 2.54Å; R177-D221 IonicContact NH2-OD1 2.57Å; R177-D221 PolarHBondContact NH2-OD1 3.33Å; R177-D221 IonicContact NH2-OD2 3.71Å
178V96.9Very high95.3Very high0 Ų049 Ų490%027%0.271CS..Hα-helixtrans-70.3-36-178.4-58.20000112.7I167 G174 A175 I181 A182 F189 V219I167-V178 HydrophobicContact CB-CB 4.49Å; I167-V178 HydrophobicContact CG2-CB 3.74Å; I167-V178 HydrophobicContact CG2-CG1 4Å; G174-V178 PolarHBondContact O-N 3.17Å; G174-V178 VanDerWaalsContact O-N 3.15Å; A175-V178 VanDerWaalsContact O-CG2 3.23Å; A175-V178 WeakPolarHBondContact O-CG2 3.45Å; A175-V178 PolarHBondContact O-N 3.4Å; V178-I181 PolarHBondContact O-N 2.95Å; V178-A182 VanDerWaalsContact O-CB 3.23Å; V178-A182 WeakPolarHBondContact O-CB 3.48Å; V178-A182 PolarHBondContact O-N 3.47Å; V178-F189 HydrophobicContact CG2-CD2 4.31Å; V178-V219 HydrophobicContact CG1-CB 4.17Å
179T96.6Very high95.3Very high38 Ų3853.6 Ų53.623%0.23329%0.291CS..Hα-helixtrans-65.1-40.9175.654.50000111.5A175 K176 I181 A182 D183 F189A175-T179 WeakPolarHBondContact O-CG2 3.35Å; A175-T179 PolarHBondContact O-N 2.88Å; A175-T179 PolarHBondContact O-OG1 2.68Å; A175-T179 VanDerWaalsContact O-OG1 3.12Å; K176-T179 WeakPolarHBondContact CA-OG1 3.42Å; K176-T179 PolarHBondContact O-OG1 2.88Å; K176-T179 VanDerWaalsContact O-OG1 3.05Å; T179-I181 VanDerWaalsContact C-N 3.35Å; T179-I181 PolarHBondContact O-N 3.24Å; T179-A182 PolarHBondContact O-N 3.41Å; T179-D183 WeakPolarHBondContact O-CB 3.49Å; T179-D183 PolarHBondContact O-N 3.3Å; T179-F189 HydrophobicContact CG2-CD1 3.95Å; T179-F189 HydrophobicContact CG2-CD2 3.87Å; T179-F189 HydrophobicContact CG2-CE1 3.82Å; T179-F189 HydrophobicContact CG2-CE2 3.73Å; T179-F189 HydrophobicContact CG2-CG 3.98Å; T179-F189 HydrophobicContact CG2-CZ 3.71Å
180S96.4Very high95.3Very high37 Ų3753.6 Ų53.626%0.25929%0.291SS..Hα-helixtrans-58.5-46.3176.2-173.80000112E148 K176 R177 R184E148-S180 PolarHBondContact OE1-OG 3.23Å; E148-S180 PolarHBondContact OE2-OG 2.74Å; K176-S180 PolarHBondContact O-N 3.07Å; R177-S180 PolarHBondContact O-N 3.45Å; S180-R184 WeakPolarHBondContact O-CG 3.26Å; S180-R184 PolarHBondContact O-N 3.2Å; S180-R184 VanDerWaalsContact O-N 3.13Å
181I97.4Very high95.4Very high4 Ų455 Ų552%0.02130%0.299CS..Hα-helixtrans-66.8-44.7179.1-66.5169.5000110.7E148 V151 L152 I155 I167 R177 V178 T179 R184 L185 V219E148-I181 HydrophobicContact CG-CG1 4.08Å; V151-I181 HydrophobicContact CG1-CD1 4.49Å; L152-I181 HydrophobicContact CD2-CG2 3.96Å; I155-I181 HydrophobicContact CD1-CG2 4.35Å; I167-I181 HydrophobicContact CD1-CG2 4.21Å; I167-I181 HydrophobicContact CG1-CG2 4.13Å; I167-I181 HydrophobicContact CG2-CB 4.41Å; I167-I181 HydrophobicContact CG2-CG2 4.24Å; R177-I181 HydrophobicContact CG-CD1 4.45Å; R177-I181 WeakPolarHBondContact O-CG1 3.31Å; R177-I181 PolarHBondContact O-N 2.84Å; V178-I181 PolarHBondContact O-N 2.95Å; T179-I181 VanDerWaalsContact C-N 3.35Å; T179-I181 PolarHBondContact O-N 3.24Å; I181-R184 PolarHBondContact O-N 2.79Å; I181-L185 HydrophobicContact CG2-CD1 3.93Å; I181-L185 WeakPolarHBondContact O-CG 3.19Å; I181-L185 PolarHBondContact O-N 3.32Å; I181-V219 HydrophobicContact CD1-CB 4.38Å; I181-V219 HydrophobicContact CD1-CG1 3.68Å; I181-V219 HydrophobicContact CD1-CG2 4.31Å
182A97.6Very high95.6Very high0 Ų052 Ų520%028%0.282CS..Hα-helixtrans-61-44.9179.300000111.9I167 V178 T179 R184 L185 N186 V187 F189I167-A182 HydrophobicContact CB-CB 4.24Å; I167-A182 HydrophobicContact CG1-CB 4.02Å; V178-A182 VanDerWaalsContact O-CB 3.23Å; V178-A182 WeakPolarHBondContact O-CB 3.48Å; V178-A182 PolarHBondContact O-N 3.47Å; T179-A182 PolarHBondContact O-N 3.41Å; A182-R184 PolarHBondContact O-N 3.26Å; A182-L185 CarbonylContact O-C 3.59Å; A182-L185 PolarHBondContact O-N 2.88Å; A182-N186 WeakPolarHBondContact O-CA 3.36Å; A182-N186 PolarHBondContact O-N 3.47Å; A182-V187 HydrophobicContact CB-CG2 4.21Å; A182-V187 PolarHBondContact O-N 3.42Å; A182-F189 HydrophobicContact CB-CB 3.86Å
183D97.1Very high95.7Very high122 Ų12253.5 Ų53.565%0.65228%0.281SS*.Hα-helixtrans-62-42.6177.5-69.4-18.5000111.4T179 L185 N186T179-D183 WeakPolarHBondContact O-CB 3.49Å; T179-D183 PolarHBondContact O-N 3.3Å; D183-L185 VanDerWaalsContact C-N 3.33Å; D183-L185 PolarHBondContact O-N 2.81Å; D183-N186 PolarHBondContact O-N 3.35Å; D183-N186 VanDerWaalsContact O-N 3.17Å
184R96.4Very high95.4Very high103 Ų10353.1 Ų53.139%0.38926%0.259SS..Hα-helixtrans-71.1-25178.1-72.5-176.8-176-159.89.5114.1E148 L152 R156 S180 I181 A182E148-R184 VanDerWaalsContact OE1-CD 3.25Å; E148-R184 WeakPolarHBondContact OE1-CD 3.42Å; E148-R184 IonicContact OE1-CZ 3.36Å; E148-R184 IonicContact OE1-NE 3.81Å; E148-R184 PolarHBondContact OE1-NE 3.3Å; E148-R184 IonicContact OE1-NH1 2.8Å; E148-R184 IonicContact OE1-NH2 2.83Å; E148-R184 IonicContact OE2-CZ 3.14Å; E148-R184 IonicContact OE2-NH2 2.72Å; L152-R184 HydrophobicContact CD1-CB 4.04Å; L152-R184 HydrophobicContact CD1-CG 4.47Å; L152-R184 HydrophobicContact CD2-CB 4.11Å; R156-R184 PolarHBondContact NH2-O 3.47Å; S180-R184 WeakPolarHBondContact O-CG 3.26Å; S180-R184 PolarHBondContact O-N 3.2Å; S180-R184 VanDerWaalsContact O-N 3.13Å; I181-R184 PolarHBondContact O-N 2.79Å; A182-R184 PolarHBondContact O-N 3.26Å
185L96.7Very high94.7Very high9 Ų957.2 Ų57.25%0.04728%0.278CS..Hα-helixtrans-89.7-11.9171.6-67.6175.9000112.3L152 I155 R156 W162 I167 I181 A182 D183 V187L152-L185 HydrophobicContact CD2-CD1 4Å; L152-L185 HydrophobicContact CD2-CD2 3.6Å; L152-L185 HydrophobicContact CD2-CG 3.47Å; L152-L185 VanDerWaalsContact CD2-CG 3.47Å; I155-L185 HydrophobicContact CD1-CD1 3.97Å; I155-L185 HydrophobicContact CG2-CD1 3.96Å; R156-L185 HydrophobicContact CG-CD2 4.11Å; W162-L185 HydrophobicContact CE3-CB 4.4Å; W162-L185 HydrophobicContact CE3-CD2 3.97Å; W162-L185 HydrophobicContact CZ3-CB 4.24Å; W162-L185 HydrophobicContact CZ3-CD2 3.93Å; W162-L185 WeakPolarHBondContact CZ3-O 3.47Å; I167-L185 HydrophobicContact CD1-CD1 4.03Å; I181-L185 HydrophobicContact CG2-CD1 3.93Å; I181-L185 WeakPolarHBondContact O-CG 3.19Å; I181-L185 PolarHBondContact O-N 3.32Å; A182-L185 CarbonylContact O-C 3.59Å; A182-L185 PolarHBondContact O-N 2.88Å; D183-L185 VanDerWaalsContact C-N 3.33Å; D183-L185 PolarHBondContact O-N 2.81Å; L185-V187 HydrophobicContact CB-CG1 4.01Å; L185-V187 HydrophobicContact CB-CG2 3.86Å
186N97.5Very high93.4Very high147 Ų14766.1 Ų66.179%0.78631%0.305SS*.THydrogen-bonded Turntrans5450.7-170.8-170.359.1000112A182 D183A182-N186 WeakPolarHBondContact O-CA 3.36Å; A182-N186 PolarHBondContact O-N 3.47Å; D183-N186 PolarHBondContact O-N 3.35Å; D183-N186 VanDerWaalsContact O-N 3.17Å
187V97.8Very high91.7Very high22 Ų2262.5 Ų62.513%0.13329%0.29CS..  trans-127.1171179.1-57.50000111W162 I167 A182 L185W162-V187 WeakPolarHBondContact O-CG1 3.48Å; I167-V187 HydrophobicContact CD1-CG2 4.23Å; I167-V187 HydrophobicContact CG1-CG2 3.76Å; A182-V187 HydrophobicContact CB-CG2 4.21Å; A182-V187 PolarHBondContact O-N 3.42Å; L185-V187 HydrophobicContact CB-CG1 4.01Å; L185-V187 HydrophobicContact CB-CG2 3.86Å
188E97Very high89.6Confident88 Ų8868.5 Ų68.541%0.41132%0.317SS..EExtended strand (participates in β ladder)trans-77.7160.6177-74177.4-141.900112.1C166 I167 R214C166-E188 WeakPolarHBondContact CA-O 3.34Å; I167-E188 PolarHBondContact N-O 2.55Å; E188-R214 IonicContact OE1-CZ 3.19Å; E188-R214 VanDerWaalsContact OE1-CZ 3.3Å; E188-R214 IonicContact OE1-NH1 3.74Å; E188-R214 PolarHBondContact OE1-NH1 3.46Å; E188-R214 IonicContact OE1-NH2 2.71Å; E188-R214 PolarHBondContact OE1-NH2 2.75Å; E188-R214 IonicContact OE2-CZ 3.89Å; E188-R214 IonicContact OE2-NH1 3.81Å; E188-R214 PolarHBondContact OE2-NH1 2.82Å; E188-R214 VanDerWaalsContact OE2-NH1 3.13Å; E188-R214 IonicContact OE2-NH2 4Å; E188-R214 PolarHBondContact OE2-NH2 2.96Å
189F97.8Very high87Confident97 Ų9772.9 Ų72.943%0.42535%0.354SS..EExtended strand (participates in β ladder)trans-126.8154.2171.777.5-84.9000111.3C166 I167 V178 T179 A182C166-F189 VanDerWaalsContact SG-C 3.57Å; I167-F189 CarbonylContact O-C 3.58Å; I167-F189 WeakPolarHBondContact O-CA 3.23Å; I167-F189 WeakPolarHBondContact O-CB 3.36Å; V178-F189 HydrophobicContact CG2-CD2 4.31Å; T179-F189 HydrophobicContact CG2-CD1 3.95Å; T179-F189 HydrophobicContact CG2-CD2 3.87Å; T179-F189 HydrophobicContact CG2-CE1 3.82Å; T179-F189 HydrophobicContact CG2-CE2 3.73Å; T179-F189 HydrophobicContact CG2-CG 3.98Å; T179-F189 HydrophobicContact CG2-CZ 3.71Å; A182-F189 HydrophobicContact CB-CB 3.86Å
190A97.7Very high84.7Confident0 Ų079.3 Ų79.30%039%0.387CS..EExtended strand (participates in β ladder)trans-132.9164.517200000110.6I167 V168 S169 L207 V208 V211I167-A190 PolarHBondContact O-N 2.65Å; V168-A190 WeakPolarHBondContact CA-O 3.23Å; V168-A190 HydrophobicContact CG1-CB 4.4Å; V168-A190 HydrophobicContact CG2-CB 4.21Å; S169-A190 PolarHBondContact N-O 3.22Å; A190-L207 HydrophobicContact CB-CD1 3.99Å; A190-V208 CarbonylContact C-O 3.37Å; A190-V208 VanDerWaalsContact CA-O 3.25Å; A190-V208 WeakPolarHBondContact CA-O 3.47Å; A190-V208 WeakPolarHBondContact CB-O 3.42Å; A190-V211 HydrophobicContact CB-CG1 3.92Å
191L97.1Very high82.6Confident31 Ų3183 Ų8316%0.16240%0.4CS..EExtended strand (participates in β ladder)trans-137.2132.6-176.9-171.2150.9000110A172 A175 H193 V208A172-L191 HydrophobicContact CB-CD2 4.45Å; A175-L191 HydrophobicContact CB-CD1 3.65Å; L191-H193 HydrophobicContact CD2-CB 4.17Å; L191-V208 PolarHBondContact N-O 3.31Å; L191-V208 PolarHBondContact O-N 3.05Å
192I95Very high80.6Confident0 Ų089.2 Ų89.20%044%0.438CS..EExtended strand (participates in β ladder)trans-98.9122.4171.5-66.3168.5000108.3V168 S169 D171 M205 V206 L207 L218 A232 L236V168-I192 HydrophobicContact CG1-CD1 3.95Å; V168-I192 HydrophobicContact CG1-CG1 4.1Å; S169-I192 PolarHBondContact O-N 2.93Å; D171-I192 CarbonylContact C-O 3.56Å; D171-I192 WeakPolarHBondContact CA-O 3.27Å; I192-M205 HydrophobicContact CG2-CB 4Å; I192-M205 HydrophobicContact CG2-CG 4.08Å; I192-M205 HydrophobicContact CG2-SD 4.07Å; I192-V206 CarbonylContact C-O 3.52Å; I192-V206 WeakPolarHBondContact CA-O 3.37Å; I192-L207 HydrophobicContact CD1-CD1 4.38Å; I192-L207 HydrophobicContact CG1-CD1 3.64Å; I192-L218 HydrophobicContact CD1-CD2 4.36Å; I192-A232 HydrophobicContact CD1-CB 3.51Å; I192-L236 HydrophobicContact CD1-CD2 4.42Å; I192-L236 HydrophobicContact CD1-CG 4.22Å
193H90Very high79.2Confident84 Ų8492 Ų9239%0.38945%0.452SS..EExtended strand (participates in β ladder)trans-105.7123.8171.8-172.565.7000109.6L191 V206L191-H193 HydrophobicContact CD2-CB 4.17Å; H193-V206 PolarHBondContact N-O 3.12Å; H193-V206 PolarHBondContact O-N 3.06Å
194K81.9Confident78.4Confident62 Ų6294.2 Ų94.227%0.2745%0.452SS..EExtended strand (participates in β ladder)trans-90.4106.5173.9-172-178.2178.2-169.50109.5R196 D203K194-R196 PolarHBondContact O-N 2.81Å; K194-D203 WeakPolarHBondContact CE-OD2 3.36Å; K194-D203 HydrophobicContact CG-CB 4.37Å; K194-D203 IonicContact NZ-OD2 2.7Å; K194-D203 PolarHBondContact NZ-OD2 3.03Å
195E77.5Confident77.9Confident87 Ų8790.5 Ų90.541%0.40744%0.439SS..EExtended strand (participates in β ladder)trans-74.9109.8168.2-72.1-172.1162.200108.9K197 R204E195-K197 PolarHBondContact O-N 2.69Å; E195-R204 PolarHBondContact N-O 3.15Å; E195-R204 PolarHBondContact O-N 3.26Å
196R67.3Low77.6Confident214 Ų21492.4 Ų92.481%0.80845%0.451SS*.  trans-79.2114.3171.5-64-172.9-173.4-173.22108.8K194 D203K194-R196 PolarHBondContact O-N 2.81Å; R196-D203 WeakPolarHBondContact CA-OD1 3.42Å
197K58.2Low77.5Confident104 Ų10487.1 Ų87.145%0.45242%0.423SS..PPolyproline II helixtrans-91.9167.3173.8-73.7-162.6176.4-179.90111.6E195 E201E195-K197 PolarHBondContact O-N 2.69Å; K197-E201 HydrophobicContact CB-CB 3.89Å; K197-E201 HydrophobicContact CD-CB 4.07Å; K197-E201 WeakPolarHBondContact CD-OE2 3.34Å; K197-E201 WeakPolarHBondContact CE-OE2 3.11Å; K197-E201 IonicContact NZ-OE2 2.71Å; K197-E201 PolarHBondContact NZ-OE2 3.39Å
198K52.5Low77.4Confident189 Ų18990.4 Ų90.482%0.82244%0.443SS*.PPolyproline II helixtrans-59.9163.6179.1-71.6179.5178.4176.50111.3N200 E201K198-N200 PolarHBondContact O-N 3.34Å; K198-E201 PolarHBondContact O-N 3.05Å
199A41.4Very low77.2Confident93 Ų9388.5 Ų88.577%0.76945%0.447SS*.THydrogen-bonded Turntrans-48.112917500000111.1
200N48.1Very low77.1Confident172 Ų17287.9 Ų87.992%0.9245%0.448SS*.THydrogen-bonded Turntrans89.86-179.1-51.8-25.2000118.3K198K198-N200 PolarHBondContact O-N 3.34Å
201E52.6Low77.1Confident116 Ų11688 Ų8854%0.54245%0.448SS..SBendtrans-113.1145.3167.8-74.1-173-137.300112.1K197 K198 D203K197-E201 HydrophobicContact CB-CB 3.89Å; K197-E201 HydrophobicContact CD-CB 4.07Å; K197-E201 WeakPolarHBondContact CD-OE2 3.34Å; K197-E201 WeakPolarHBondContact CE-OE2 3.11Å; K197-E201 IonicContact NZ-OE2 2.71Å; K197-E201 PolarHBondContact NZ-OE2 3.39Å; K198-E201 PolarHBondContact O-N 3.05Å; E201-D203 PolarHBondContact O-N 3.34Å
202V55.9Low77.1Confident134 Ų13492.2 Ų92.281%0.81247%0.465SS*.PPolyproline II helixtrans-72.7126.5175.7-177.20000109.1R204V202-R204 PolarHBondContact O-N 3.27Å
203D67.6Low77.2Confident57 Ų5797.7 Ų97.731%0.30550%0.495SS..PPolyproline II helixtrans-54.8132.7175.8-67.5-37.7000111.4K194 R196 E201K194-D203 WeakPolarHBondContact CE-OD2 3.36Å; K194-D203 HydrophobicContact CG-CB 4.37Å; K194-D203 IonicContact NZ-OD2 2.7Å; K194-D203 PolarHBondContact NZ-OD2 3.03Å; R196-D203 WeakPolarHBondContact CA-OD1 3.42Å; E201-D203 PolarHBondContact O-N 3.34Å
204R79.9Confident77.5Confident170 Ų17096.6 Ų96.664%0.64249%0.487SS*.EExtended strand (participates in β ladder)trans-99.8134.1178.4-168.1178.9-177.2-1751.5110.6E195 V202E195-R204 PolarHBondContact N-O 3.15Å; E195-R204 PolarHBondContact O-N 3.26Å; V202-R204 PolarHBondContact O-N 3.27Å
205M85.8Confident78.3Confident24 Ų2493.8 Ų93.812%0.11848%0.475CS..EExtended strand (participates in β ladder)trans-97.5124.2169.4-72.7-174.4172.300110.1I192 T228 K231 K235I192-M205 HydrophobicContact CG2-CB 4Å; I192-M205 HydrophobicContact CG2-CG 4.08Å; I192-M205 HydrophobicContact CG2-SD 4.07Å; M205-T228 HydrophobicContact CE-CG2 4.23Å; M205-K231 HydrophobicContact CE-CB 3.49Å; M205-K231 VanDerWaalsContact CE-CB 3.49Å; M205-K231 HydrophobicContact CE-CD 4.22Å; M205-K231 HydrophobicContact SD-CB 3.72Å; M205-K235 HydrophobicContact CB-CG 4.37Å
206V91.6Very high79.3Confident50 Ų5089.6 Ų89.630%0.30346%0.456SS..EExtended strand (participates in β ladder)trans-106.6124.9176.1-178.10000108I192 H193I192-V206 CarbonylContact C-O 3.52Å; I192-V206 WeakPolarHBondContact CA-O 3.37Å; H193-V206 PolarHBondContact N-O 3.12Å; H193-V206 PolarHBondContact O-N 3.06Å
207L95.1Very high80.8Confident36 Ų3679.4 Ų79.419%0.18842%0.417CS..EExtended strand (participates in β ladder)trans-94.1131.2173.8179.967.4000108.9A190 I192 V211 L236 A239A190-L207 HydrophobicContact CB-CD1 3.99Å; I192-L207 HydrophobicContact CD1-CD1 4.38Å; I192-L207 HydrophobicContact CG1-CD1 3.64Å; L207-V211 HydrophobicContact CD2-CG1 4.22Å; L207-V211 HydrophobicContact CD2-CG2 3.68Å; L207-L236 HydrophobicContact CD1-CD2 4.05Å; L207-L236 HydrophobicContact CD2-CD2 4.26Å; L207-A239 HydrophobicContact CD2-CB 3.66Å
208V94.9Very high82.8Confident91 Ų9174.5 Ų74.555%0.55240%0.396SS*.EExtended strand (participates in β ladder)trans-117.4121.4172.2-178.20000107.9A190 L191A190-V208 CarbonylContact C-O 3.37Å; A190-V208 VanDerWaalsContact CA-O 3.25Å; A190-V208 WeakPolarHBondContact CA-O 3.47Å; A190-V208 WeakPolarHBondContact CB-O 3.42Å; L191-V208 PolarHBondContact N-O 3.31Å; L191-V208 PolarHBondContact O-N 3.05Å
209G94.1Very high84.9Confident48 Ų4865.8 Ų65.850%0.49536%0.358SS..SBendtrans115.7168.7-171.200000111.8
210D94.6Very high87.6Confident83 Ų8362.4 Ų62.444%0.44433%0.327SS..  trans-107130.8178.4-172.919.1000110.7K212D210-K212 WeakPolarHBondContact OD1-CB 3.29Å; D210-K212 PolarHBondContact OD1-N 3.37Å
211V97.3Very high89.9Confident2 Ų254.4 Ų54.41%0.01228%0.284CS..  trans-128.41.4179.3-57.70000111.6C166 V168 A190 L207 D213 R214 L236 A239 A241C166-V211 HydrophobicContact CB-CG1 4.28Å; V168-V211 HydrophobicContact CG2-CG1 4.33Å; A190-V211 HydrophobicContact CB-CG1 3.92Å; L207-V211 HydrophobicContact CD2-CG1 4.22Å; L207-V211 HydrophobicContact CD2-CG2 3.68Å; V211-D213 PolarHBondContact O-N 3.09Å; V211-R214 PolarHBondContact O-N 3.13Å; V211-L236 HydrophobicContact CB-CD2 4.21Å; V211-L236 HydrophobicContact CG1-CD2 3.78Å; V211-L236 HydrophobicContact CG2-CD2 3.98Å; V211-A239 HydrophobicContact CG2-CB 3.64Å; V211-A241 HydrophobicContact CG2-CB 4.42Å; V211-A241 WeakPolarHBondContact O-CA 3.17Å
212K97.9Very high92.1Very high121 Ų12149.3 Ų49.353%0.52626%0.261SS..THydrogen-bonded Turntrans-66.8133.6-174.2-174.8-177.2173.1-175.40110.4D210 R214D210-K212 WeakPolarHBondContact OD1-CB 3.29Å; D210-K212 PolarHBondContact OD1-N 3.37Å; K212-R214 WeakPolarHBondContact O-CG 3.22Å; K212-R214 PolarHBondContact O-N 3.16Å
213D97.3Very high94Very high115 Ų11543.3 Ų43.362%0.61523%0.225SC*.THydrogen-bonded Turntrans57.228.4179.8-54.7-46.4000112.7V211 G240 I242V211-D213 PolarHBondContact O-N 3.09Å; D213-G240 PolarHBondContact N-O 3.35Å; D213-I242 WeakPolarHBondContact O-CD1 3.33Å
214R97.2Very high95.4Very high60 Ų6042.9 Ų42.923%0.22622%0.223CC..SBendtrans-127.9159.3177.9-62.5-179.5-163.3-148.913.9111.9N164 E188 V211 K212 A241 I242N164-R214 WeakPolarHBondContact O-CG 3.25Å; E188-R214 IonicContact OE1-CZ 3.19Å; E188-R214 VanDerWaalsContact OE1-CZ 3.3Å; E188-R214 IonicContact OE1-NH1 3.74Å; E188-R214 PolarHBondContact OE1-NH1 3.46Å; E188-R214 IonicContact OE1-NH2 2.71Å; E188-R214 PolarHBondContact OE1-NH2 2.75Å; E188-R214 IonicContact OE2-CZ 3.89Å; E188-R214 IonicContact OE2-NH1 3.81Å; E188-R214 PolarHBondContact OE2-NH1 2.82Å; E188-R214 VanDerWaalsContact OE2-NH1 3.13Å; E188-R214 IonicContact OE2-NH2 4Å; E188-R214 PolarHBondContact OE2-NH2 2.96Å; V211-R214 PolarHBondContact O-N 3.13Å; K212-R214 WeakPolarHBondContact O-CG 3.22Å; K212-R214 PolarHBondContact O-N 3.16Å; R214-A241 CarbonylContact O-C 3.42Å; R214-A241 WeakPolarHBondContact O-CA 3.35Å; R214-I242 PolarHBondContact O-N 2.86Å
215V98.3Very high96.1Very high3 Ų337.5 Ų37.52%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-76.8125.8166.3175.10000108.5I159 E161 S165 C166 I217 K243 Y245I159-V215 HydrophobicContact CG2-CG1 4.08Å; E161-V215 HydrophobicContact CB-CG2 3.91Å; E161-V215 HydrophobicContact CG-CG2 4.45Å; S165-V215 CarbonylContact C-O 3.42Å; S165-V215 WeakPolarHBondContact CA-O 3.31Å; S165-V215 WeakPolarHBondContact CB-O 3.3Å; C166-V215 PolarHBondContact N-O 2.84Å; V215-I217 HydrophobicContact CG1-CG1 4.24Å; V215-K243 HydrophobicContact CG1-CB 4.48Å; V215-K243 HydrophobicContact CG2-CB 4.42Å; V215-Y245 HydrophobicContact CG1-CD2 3.61Å; V215-Y245 HydrophobicContact CG1-CE2 3.64Å
216A98.6Very high96.7Very high0 Ų036.6 Ų36.60%021%0.205CC..EExtended strand (participates in β ladder)trans-101.2129.9176.500000110.5C166 V168 L236 A241 K243 V244 Y245C166-A216 WeakPolarHBondContact O-CA 3.43Å; V168-A216 HydrophobicContact CG2-CB 4.05Å; A216-L236 HydrophobicContact CB-CB 4.38Å; A216-L236 HydrophobicContact CB-CD1 3.86Å; A216-L236 HydrophobicContact CB-CD2 4.16Å; A216-L236 HydrophobicContact CB-CG 4.36Å; A216-A241 HydrophobicContact CB-CB 3.93Å; A216-K243 PolarHBondContact N-O 3.02Å; A216-V244 HydrophobicContact CB-CG2 4.46Å; A216-V244 CarbonylContact O-C 3.59Å; A216-V244 VanDerWaalsContact O-CA 3.31Å; A216-V244 WeakPolarHBondContact O-CA 3.35Å; A216-Y245 PolarHBondContact O-N 2.73Å
217I98.7Very high96.8Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-117.3100.8-178.8-53172.2000107.7I155 I159 C166 I167 V168 V215 V219 I247I155-I217 HydrophobicContact CD1-CD1 4.43Å; I155-I217 HydrophobicContact CG1-CD1 4.41Å; I155-I217 HydrophobicContact CG2-CD1 4.02Å; I159-I217 HydrophobicContact CD1-CD1 3.52Å; I159-I217 HydrophobicContact CD1-CG1 3.91Å; C166-I217 PolarHBondContact O-N 2.71Å; I167-I217 HydrophobicContact CD1-CB 4.02Å; I167-I217 HydrophobicContact CD1-CD1 3.88Å; I167-I217 HydrophobicContact CD1-CG1 4.42Å; V168-I217 PolarHBondContact N-O 3.28Å; V215-I217 HydrophobicContact CG1-CG1 4.24Å; I217-V219 HydrophobicContact CG2-CG2 4.06Å; I217-V219 PolarHBondContact O-N 2.95Å; I217-I247 HydrophobicContact CG2-CD1 3.64Å; I217-I247 HydrophobicContact CG2-CG1 3.94Å
218L98.6Very high96.7Very high0 Ų036.3 Ų36.30%021%0.209CC..EExtended strand (participates in β ladder)trans-69.2126.8172.9-77.3160000109.3V168 P170 I192 I229 A232 A233 L236 V244 Y245 A246 I247 F266V168-L218 HydrophobicContact CB-CD2 3.89Å; V168-L218 HydrophobicContact CB-CG 4.37Å; V168-L218 HydrophobicContact CG1-CD2 3.77Å; V168-L218 WeakPolarHBondContact O-CA 3.13Å; P170-L218 HydrophobicContact CB-CD2 4.23Å; I192-L218 HydrophobicContact CD1-CD2 4.36Å; L218-I229 HydrophobicContact CB-CD1 4.19Å; L218-I229 HydrophobicContact CB-CG1 4.22Å; L218-I229 HydrophobicContact CD1-CG1 3.87Å; L218-A232 HydrophobicContact CD1-CB 3.99Å; L218-A232 HydrophobicContact CD2-CB 3.9Å; L218-A233 HydrophobicContact CD1-CB 4.15Å; L218-L236 HydrophobicContact CD1-CD1 3.78Å; L218-L236 HydrophobicContact CD2-CD1 3.95Å; L218-L236 HydrophobicContact CG-CD1 3.68Å; L218-V244 HydrophobicContact CD1-CG1 3.82Å; L218-V244 HydrophobicContact CG-CG1 4.42Å; L218-Y245 WeakPolarHBondContact CB-O 3.32Å; L218-Y245 PolarHBondContact N-O 3.09Å; L218-A246 HydrophobicContact CB-CB 4.44Å; L218-A246 CarbonylContact O-C 3.48Å; L218-A246 WeakPolarHBondContact O-CA 3.49Å; L218-I247 PolarHBondContact O-N 3.13Å; L218-F266 HydrophobicContact CD1-CE1 4.04Å
219V98.5Very high96.7Very high6 Ų632.4 Ų32.44%0.03618%0.184CC..EExtended strand (participates in β ladder)trans-124.7126.6176.4-175.10000110.6I167 V168 P170 R177 V178 I181 I217 I247I167-V219 HydrophobicContact CG2-CB 4.38Å; I167-V219 HydrophobicContact CG2-CG2 3.75Å; V168-V219 PolarHBondContact O-N 3.3Å; P170-V219 VanDerWaalsContact CD-O 3.31Å; P170-V219 WeakPolarHBondContact CD-O 3.37Å; R177-V219 HydrophobicContact CG-CG1 4.47Å; V178-V219 HydrophobicContact CG1-CB 4.17Å; I181-V219 HydrophobicContact CD1-CB 4.38Å; I181-V219 HydrophobicContact CD1-CG1 3.68Å; I181-V219 HydrophobicContact CD1-CG2 4.31Å; I217-V219 HydrophobicContact CG2-CG2 4.06Å; I217-V219 PolarHBondContact O-N 2.95Å; V219-I247 WeakPolarHBondContact CA-O 3.37Å; V219-I247 HydrophobicContact CG2-CB 4.41Å
220D97.6Very high96.9Very high22 Ų2230.5 Ų30.512%0.11816%0.163CC..EExtended strand (participates in β ladder)trans-139162.9174.7-150.20.8000111.4P170 R177 I247 L248 T249P170-D220 HydrophobicContact CG-CB 3.87Å; R177-D220 IonicContact NH1-OD1 3.95Å; R177-D220 PolarHBondContact NH1-OD1 3.28Å; D220-I247 PolarHBondContact N-O 3.13Å; D220-I247 VanDerWaalsContact N-O 3.07Å; D220-L248 HydrophobicContact CB-CD2 3.57Å; D220-L248 WeakPolarHBondContact O-CA 3.24Å; D220-T249 PolarHBondContact O-N 3.23Å
221D96.9Very high96.9Very high4 Ų431.5 Ų31.52%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-74.6-37175.649.6-56.4000110.4H130 R177 T249 H250H130-D221 WeakPolarHBondContact CA-OD2 3.35Å; H130-D221 IonicContact CE1-OD2 3.37Å; H130-D221 IonicContact CG-OD2 3.13Å; H130-D221 IonicContact ND1-OD1 2.78Å; H130-D221 IonicContact ND1-OD2 3.21Å; H130-D221 PolarHBondContact ND1-OD2 3.07Å; R177-D221 VanDerWaalsContact CZ-CB 3.47Å; R177-D221 VanDerWaalsContact CZ-N 3.28Å; R177-D221 IonicContact CZ-OD1 3.75Å; R177-D221 IonicContact NH1-OD1 3.49Å; R177-D221 PolarHBondContact NH1-OD1 2.54Å; R177-D221 IonicContact NH2-OD1 2.57Å; R177-D221 PolarHBondContact NH2-OD1 3.33Å; R177-D221 IonicContact NH2-OD2 3.71Å; D221-T249 CarbonylContact O-C 3.59Å; D221-T249 WeakPolarHBondContact O-CB 3.33Å; D221-T249 PolarHBondContact O-N 2.86Å; D221-H250 PolarHBondContact O-CD2 3.08Å; D221-H250 VanDerWaalsContact O-CD2 3.24Å; D221-H250 PolarHBondContact O-N 2.65Å
222M97Very high96.9Very high10 Ų1031.4 Ų31.45%0.04916%0.163CC..EExtended strand (participates in β ladder)trans-156.5137.7-17754.617478.700113.4R96 H130 H250 I252R96-M222 HydrophobicContact CG-SD 3.8Å; R96-M222 VanDerWaalsContact CZ-SD 3.6Å; R96-M222 PolarHBondContact NE-SD 2.82Å; R96-M222 VanDerWaalsContact NH2-CG 3.32Å; R96-M222 PolarHBondContact NH2-O 3.36Å; R96-M222 VanDerWaalsContact NH2-O 3.16Å; H130-M222 HydrophobicContact CB-CE 4.15Å; M222-H250 VanDerWaalsContact CA-O 3.24Å; M222-H250 WeakPolarHBondContact CA-O 3.45Å; M222-H250 HydrophobicContact CB-CB 3.84Å; M222-H250 WeakPolarHBondContact CB-O 3.37Å; M222-I252 HydrophobicContact CB-CD1 4.25Å; M222-I252 HydrophobicContact SD-CD1 3.95Å
223A97.4Very high96.9Very high7 Ų725.6 Ų25.66%0.05814%0.138CC..EExtended strand (participates in β ladder)trans-114.7132.5168.400000111.7L248 H250 I252 F253A223-L248 HydrophobicContact CB-CD1 3.31Å; A223-L248 HydrophobicContact CB-CD2 3.81Å; A223-L248 HydrophobicContact CB-CG 4.16Å; A223-H250 PolarHBondContact N-O 3.22Å; A223-I252 WeakPolarHBondContact O-CA 3.31Å; A223-I252 WeakPolarHBondContact O-CB 3.48Å; A223-I252 PolarHBondContact O-N 2.9Å; A223-F253 HydrophobicContact CB-CD1 4.45Å; A223-F253 HydrophobicContact CB-CE1 4.07Å; A223-F253 PolarHBondContact O-N 2.81Å; A223-F253 VanDerWaalsContact O-N 3.08Å
224D96Very high96.8Very high48 Ų4825 Ų2526%0.25713%0.131SC..SBendtrans-103.1-86.3-177.9178.324.1000111.6R96 C226 I252 F253 S254 A257R96-D224 IonicContact NH1-OD2 3.92Å; D224-C226 VanDerWaalsContact C-N 3.25Å; D224-C226 PolarHBondContact O-N 3.24Å; D224-I252 HydrophobicContact CB-CB 4.38Å; D224-I252 HydrophobicContact CB-CD1 4.44Å; D224-I252 HydrophobicContact CB-CG2 4.38Å; D224-I252 WeakPolarHBondContact OD1-CG2 3.23Å; D224-F253 CarbonylContact O-C 3.43Å; D224-F253 WeakPolarHBondContact O-CA 3.21Å; D224-F253 PolarHBondContact O-N 3.21Å; D224-S254 PolarHBondContact O-N 3.16Å; D224-S254 VanDerWaalsContact OD1-CB 3.25Å; D224-S254 WeakPolarHBondContact OD1-CB 3.48Å; D224-S254 PolarHBondContact OD1-OG 2.77Å; D224-A257 WeakPolarHBondContact O-CB 3.38Å
225T95.8Very high96.8Very high57 Ų5725.6 Ų25.635%0.3514%0.136SC..SBendtrans-852.4177.4660000113.7G227 R260T225-G227 PolarHBondContact O-N 3.32Å; T225-R260 VanDerWaalsContact O-CD 3.26Å; T225-R260 WeakPolarHBondContact O-CD 3.37Å; T225-R260 PolarHBondContact O-NH1 2.93Å; T225-R260 PolarHBondContact OG1-NH1 2.57Å
226C96.8Very high96.8Very high5 Ų525.4 Ų25.43%0.03414%0.135CC..  trans54.98-175.7-62.10000117.1D224 T228 I229 C230 F253 A257 I261D224-C226 VanDerWaalsContact C-N 3.25Å; D224-C226 PolarHBondContact O-N 3.24Å; C226-T228 PolarHBondContact O-N 3.39Å; C226-I229 HydrophobicContact CB-CG2 3.9Å; C226-I229 WeakPolarHBondContact O-CG2 3.42Å; C226-I229 PolarHBondContact O-N 3Å; C226-C230 WeakPolarHBondContact O-CB 3.39Å; C226-C230 PolarHBondContact O-N 3.42Å; C226-C230 PolarHBondContact O-SG 2.88Å; C226-F253 WeakPolarHBondContact SG-CD1 3.46Å; C226-A257 HydrophobicContact CB-CB 4.3Å; C226-I261 HydrophobicContact CB-CG1 4.26Å
227G94.2Very high96.8Very high18 Ų1828.6 Ų28.619%0.18615%0.151CC..Hα-helixtrans-62.3-38.4-17700000114T225 K231T225-G227 PolarHBondContact O-N 3.32Å; G227-K231 WeakPolarHBondContact O-CG 3.32Å; G227-K231 PolarHBondContact O-N 3.06Å
228T92.8Very high96.7Very high63 Ų6334.8 Ų34.839%0.38718%0.184SC..Hα-helixtrans-70.9-48177.6-55.40000111.3P170 M205 C226 K231 A232P170-T228 HydrophobicContact CB-CG2 4.4Å; M205-T228 HydrophobicContact CE-CG2 4.23Å; C226-T228 PolarHBondContact O-N 3.39Å; T228-K231 PolarHBondContact O-N 2.86Å; T228-A232 WeakPolarHBondContact O-CB 3.41Å; T228-A232 PolarHBondContact O-N 3.16Å
229I96.3Very high96.6Very high8 Ų836.5 Ų36.54%0.04120%0.198CC..Hα-helixtrans-70.5-35.3-174.2-158.3164000112.5L218 C226 A232 A233 A246 L248 F266L218-I229 HydrophobicContact CB-CD1 4.19Å; L218-I229 HydrophobicContact CB-CG1 4.22Å; L218-I229 HydrophobicContact CD1-CG1 3.87Å; C226-I229 HydrophobicContact CB-CG2 3.9Å; C226-I229 WeakPolarHBondContact O-CG2 3.42Å; C226-I229 PolarHBondContact O-N 3Å; I229-A232 WeakPolarHBondContact O-CB 3.35Å; I229-A232 PolarHBondContact O-N 3.49Å; I229-A233 PolarHBondContact O-N 2.97Å; I229-A246 HydrophobicContact CD1-CB 3.65Å; I229-A246 HydrophobicContact CG1-CB 4.3Å; I229-L248 HydrophobicContact CD1-CD2 3.68Å; I229-L248 HydrophobicContact CD1-CG 4.39Å; I229-F266 HydrophobicContact CG1-CE1 4.47Å; I229-F266 HydrophobicContact CG1-CZ 4.11Å; I229-F266 HydrophobicContact CG2-CZ 4.19Å; I229-F266 WeakPolarHBondContact O-CZ 3.48Å
230C97Very high96.6Very high8 Ų837.6 Ų37.65%0.05421%0.211CC..Hα-helixtrans-65-45.1174.7-66.10000111.8C226 A232 A233 E234 R260 A264C226-C230 WeakPolarHBondContact O-CB 3.39Å; C226-C230 PolarHBondContact O-N 3.42Å; C226-C230 PolarHBondContact O-SG 2.88Å; C230-A232 VanDerWaalsContact C-N 3.3Å; C230-A232 PolarHBondContact O-N 3.47Å; C230-A233 WeakPolarHBondContact O-CB 3.26Å; C230-A233 PolarHBondContact O-N 2.66Å; C230-A233 VanDerWaalsContact O-N 3.14Å; C230-E234 PolarHBondContact O-N 3.45Å; C230-R260 PolarHBondContact SG-O 3.07Å; C230-R260 VanDerWaalsContact SG-O 3.35Å; C230-A264 HydrophobicContact CB-CB 3.94Å
231K95.1Very high96.6Very high104 Ų10437 Ų3745%0.45221%0.209SC..Hα-helixtrans-64.6-35.8175-72.7-178.5177.9-168.20112.4M205 G227 T228 A233 K235M205-K231 HydrophobicContact CE-CB 3.49Å; M205-K231 VanDerWaalsContact CE-CB 3.49Å; M205-K231 HydrophobicContact CE-CD 4.22Å; M205-K231 HydrophobicContact SD-CB 3.72Å; G227-K231 WeakPolarHBondContact O-CG 3.32Å; G227-K231 PolarHBondContact O-N 3.06Å; T228-K231 PolarHBondContact O-N 2.86Å; K231-A233 VanDerWaalsContact C-N 3.31Å; K231-K235 WeakPolarHBondContact O-CB 3.24Å; K231-K235 PolarHBondContact O-N 3.43Å
232A96.3Very high96.6Very high0 Ų041.7 Ų41.70%023%0.233CC..Hα-helixtrans-61.8-41.9172.900000111I192 L218 T228 I229 C230 K235 L236I192-A232 HydrophobicContact CD1-CB 3.51Å; L218-A232 HydrophobicContact CD1-CB 3.99Å; L218-A232 HydrophobicContact CD2-CB 3.9Å; T228-A232 WeakPolarHBondContact O-CB 3.41Å; T228-A232 PolarHBondContact O-N 3.16Å; I229-A232 WeakPolarHBondContact O-CB 3.35Å; I229-A232 PolarHBondContact O-N 3.49Å; C230-A232 VanDerWaalsContact C-N 3.3Å; C230-A232 PolarHBondContact O-N 3.47Å; A232-K235 PolarHBondContact O-N 3.17Å; A232-L236 VanDerWaalsContact O-CG 3.26Å; A232-L236 WeakPolarHBondContact O-CG 3.45Å; A232-L236 PolarHBondContact O-N 3.14Å
233A97.9Very high96.7Very high0 Ų044.4 Ų44.40%024%0.244CC..Hα-helixtrans-63.4-47.3176.900000112.7L218 I229 C230 K231 K235 L236 I237 V244 P265 F266L218-A233 HydrophobicContact CD1-CB 4.15Å; I229-A233 PolarHBondContact O-N 2.97Å; C230-A233 WeakPolarHBondContact O-CB 3.26Å; C230-A233 PolarHBondContact O-N 2.66Å; C230-A233 VanDerWaalsContact O-N 3.14Å; K231-A233 VanDerWaalsContact C-N 3.31Å; A233-K235 VanDerWaalsContact C-N 3.27Å; A233-K235 PolarHBondContact O-N 3.41Å; A233-L236 PolarHBondContact O-N 3.06Å; A233-L236 VanDerWaalsContact O-N 3.16Å; A233-I237 WeakPolarHBondContact O-CG1 3.26Å; A233-I237 PolarHBondContact O-N 3.16Å; A233-V244 HydrophobicContact CB-CB 4.43Å; A233-V244 HydrophobicContact CB-CG1 3.84Å; A233-P265 HydrophobicContact CB-CG 4.11Å; A233-F266 HydrophobicContact CB-CD1 4.05Å; A233-F266 HydrophobicContact CB-CE1 3.42Å; A233-F266 VanDerWaalsContact CB-CE1 3.42Å; A233-F266 HydrophobicContact CB-CE2 4.36Å; A233-F266 HydrophobicContact CB-CZ 3.59Å
234E96.9Very high96.7Very high101 Ų10144.1 Ų44.147%0.47224%0.242SC..Hα-helixtrans-54.6-46172.7-69.2166.4-170.400110.9C230 L236 I237 D238 P265C230-E234 PolarHBondContact O-N 3.45Å; E234-L236 VanDerWaalsContact C-N 3.29Å; E234-L236 PolarHBondContact O-N 2.9Å; E234-I237 PolarHBondContact O-N 2.88Å; E234-D238 PolarHBondContact O-N 2.95Å; E234-P265 HydrophobicContact CG-CG 4.41Å
235K96.3Very high96.9Very high73 Ų7342.5 Ų42.532%0.31723%0.232SC..Hα-helixtrans-64-32.9-179.7-174.356.2-177.2162.40113.4M205 K231 A232 A233 A239M205-K235 HydrophobicContact CB-CG 4.37Å; K231-K235 WeakPolarHBondContact O-CB 3.24Å; K231-K235 PolarHBondContact O-N 3.43Å; A232-K235 PolarHBondContact O-N 3.17Å; A233-K235 VanDerWaalsContact C-N 3.27Å; A233-K235 PolarHBondContact O-N 3.41Å; K235-A239 WeakPolarHBondContact O-CB 3.03Å; K235-A239 PolarHBondContact O-N 3.04Å; K235-A239 VanDerWaalsContact O-N 3.14Å
236L98Very high97Very high0 Ų039.8 Ų39.80%022%0.216CC..Hα-helixtrans-71.3-41.1176.4-71.5168000111.6V168 I192 L207 V211 A216 L218 A232 A233 E234 A239 G240 A241 V244V168-L236 HydrophobicContact CB-CD1 4.34Å; V168-L236 HydrophobicContact CG1-CD1 4.23Å; V168-L236 HydrophobicContact CG1-CD2 4.08Å; V168-L236 HydrophobicContact CG2-CD1 4.19Å; V168-L236 HydrophobicContact CG2-CD2 3.96Å; I192-L236 HydrophobicContact CD1-CD2 4.42Å; I192-L236 HydrophobicContact CD1-CG 4.22Å; L207-L236 HydrophobicContact CD1-CD2 4.05Å; L207-L236 HydrophobicContact CD2-CD2 4.26Å; V211-L236 HydrophobicContact CB-CD2 4.21Å; V211-L236 HydrophobicContact CG1-CD2 3.78Å; V211-L236 HydrophobicContact CG2-CD2 3.98Å; A216-L236 HydrophobicContact CB-CB 4.38Å; A216-L236 HydrophobicContact CB-CD1 3.86Å; A216-L236 HydrophobicContact CB-CD2 4.16Å; A216-L236 HydrophobicContact CB-CG 4.36Å; L218-L236 HydrophobicContact CD1-CD1 3.78Å; L218-L236 HydrophobicContact CD2-CD1 3.95Å; L218-L236 HydrophobicContact CG-CD1 3.68Å; A232-L236 VanDerWaalsContact O-CG 3.26Å; A232-L236 WeakPolarHBondContact O-CG 3.45Å; A232-L236 PolarHBondContact O-N 3.14Å; A233-L236 PolarHBondContact O-N 3.06Å; A233-L236 VanDerWaalsContact O-N 3.16Å; E234-L236 VanDerWaalsContact C-N 3.29Å; E234-L236 PolarHBondContact O-N 2.9Å; L236-A239 CarbonylContact O-C 3.58Å; L236-A239 PolarHBondContact O-N 2.92Å; L236-G240 PolarHBondContact O-N 2.83Å; L236-A241 HydrophobicContact CB-CB 4.14Å; L236-A241 VanDerWaalsContact O-CB 3.24Å; L236-A241 WeakPolarHBondContact O-CB 3.36Å; L236-A241 PolarHBondContact O-N 2.78Å; L236-V244 HydrophobicContact CB-CG2 3.87Å; L236-V244 HydrophobicContact CD1-CG1 4.01Å; L236-V244 HydrophobicContact CD1-CG2 4.39Å
237I98.1Very high97.1Very high67 Ų6739.6 Ų39.634%0.34421%0.214SC..Hα-helixtrans-61.5-46.8172.9-64.9-62.4000110.5A233 E234 A239 G240 V244 P265A233-I237 WeakPolarHBondContact O-CG1 3.26Å; A233-I237 PolarHBondContact O-N 3.16Å; E234-I237 PolarHBondContact O-N 2.88Å; I237-A239 PolarHBondContact O-N 2.87Å; I237-G240 PolarHBondContact O-N 3Å; I237-V244 HydrophobicContact CD1-CG2 3.73Å; I237-V244 HydrophobicContact CG1-CG2 3.96Å; I237-P265 HydrophobicContact CD1-CB 4.5Å; I237-P265 HydrophobicContact CG1-CB 3.91Å; I237-P265 HydrophobicContact CG1-CG 3.82Å
238D96.9Very high97.3Very high130 Ų13038.8 Ų38.870%0.69521%0.206SC*.Hα-helixtrans-59.3-28.7176.1-72.9-14.2000112.9E234 G240E234-D238 PolarHBondContact O-N 2.95Å; D238-G240 VanDerWaalsContact C-N 3.3Å
239A97.2Very high97.6Very high36 Ų3636.3 Ų36.330%0.29819%0.19SC..THydrogen-bonded Turntrans-84.9-0.817700000113.4L207 V211 K235 L236 I237L207-A239 HydrophobicContact CD2-CB 3.66Å; V211-A239 HydrophobicContact CG2-CB 3.64Å; K235-A239 WeakPolarHBondContact O-CB 3.03Å; K235-A239 PolarHBondContact O-N 3.04Å; K235-A239 VanDerWaalsContact O-N 3.14Å; L236-A239 CarbonylContact O-C 3.58Å; L236-A239 PolarHBondContact O-N 2.92Å; I237-A239 PolarHBondContact O-N 2.87Å
240G97.7Very high97.7Very high29 Ų2936 Ų3630%0.29919%0.189SC..THydrogen-bonded Turntrans96.518175.200000115.4D213 L236 I237 D238D213-G240 PolarHBondContact N-O 3.35Å; L236-G240 PolarHBondContact O-N 2.83Å; I237-G240 PolarHBondContact O-N 3Å; D238-G240 VanDerWaalsContact C-N 3.3Å
241A98.2Very high97.7Very high8 Ų835.6 Ų35.67%0.06619%0.186CC..  trans-65138171.400000111V211 R214 A216 L236 V244V211-A241 HydrophobicContact CG2-CB 4.42Å; V211-A241 WeakPolarHBondContact O-CA 3.17Å; R214-A241 CarbonylContact O-C 3.42Å; R214-A241 WeakPolarHBondContact O-CA 3.35Å; A216-A241 HydrophobicContact CB-CB 3.93Å; L236-A241 HydrophobicContact CB-CB 4.14Å; L236-A241 VanDerWaalsContact O-CB 3.24Å; L236-A241 WeakPolarHBondContact O-CB 3.36Å; L236-A241 PolarHBondContact O-N 2.78Å; A241-V244 HydrophobicContact CB-CG2 4.32Å
242I97.3Very high97.8Very high104 Ų10433 Ų3353%0.53318%0.177SC..SBendtrans-73.5-44.5-178.1-59.3173.8000110.7D213 R214D213-I242 WeakPolarHBondContact O-CD1 3.33Å; R214-I242 PolarHBondContact O-N 2.86Å
243K98.2Very high97.9Very high67 Ų6733.5 Ų33.529%0.29118%0.179SC..EExtended strand (participates in β ladder)trans-143.2151.3177.7-67.5-173178.7-166.40109V215 A216 Y245 E267V215-K243 HydrophobicContact CG1-CB 4.48Å; V215-K243 HydrophobicContact CG2-CB 4.42Å; A216-K243 PolarHBondContact N-O 3.02Å; K243-Y245 HydrophobicContact CB-CE2 4.21Å; K243-Y245 HydrophobicContact CD-CE2 4.49Å; K243-E267 HydrophobicContact CD-CG 4.22Å; K243-E267 IonicContact NZ-OE1 3.2Å; K243-E267 PolarHBondContact NZ-OE1 2.59Å
244V98.5Very high97.7Very high1 Ų135.8 Ų35.81%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-121.1125.3174.3-175.10000109.8A216 L218 A233 L236 I237 A241 F266 E267A216-V244 HydrophobicContact CB-CG2 4.46Å; A216-V244 CarbonylContact O-C 3.59Å; A216-V244 VanDerWaalsContact O-CA 3.31Å; A216-V244 WeakPolarHBondContact O-CA 3.35Å; L218-V244 HydrophobicContact CD1-CG1 3.82Å; L218-V244 HydrophobicContact CG-CG1 4.42Å; A233-V244 HydrophobicContact CB-CB 4.43Å; A233-V244 HydrophobicContact CB-CG1 3.84Å; L236-V244 HydrophobicContact CB-CG2 3.87Å; L236-V244 HydrophobicContact CD1-CG1 4.01Å; L236-V244 HydrophobicContact CD1-CG2 4.39Å; I237-V244 HydrophobicContact CD1-CG2 3.73Å; I237-V244 HydrophobicContact CG1-CG2 3.96Å; A241-V244 HydrophobicContact CB-CG2 4.32Å; V244-F266 HydrophobicContact CG1-CD1 4.03Å; V244-F266 HydrophobicContact CG1-CE1 4.06Å; V244-F266 CarbonylContact O-C 3.48Å; V244-F266 WeakPolarHBondContact O-CA 3.25Å; V244-E267 PolarHBondContact O-N 2.87Å
245Y98.8Very high97.7Very high13 Ų1334.4 Ų34.45%0.05121%0.208CC..EExtended strand (participates in β ladder)trans-106.1152.6168-67.5-97.8000109.1W154 I159 V215 A216 L218 K243 E267 A268W154-Y245 HydrophobicContact CH2-CD1 4.01Å; W154-Y245 HydrophobicContact CH2-CE1 4.18Å; W154-Y245 HydrophobicContact CZ3-CD1 4.43Å; I159-Y245 HydrophobicContact CD1-CD1 4.01Å; I159-Y245 HydrophobicContact CD1-CD2 3.76Å; I159-Y245 HydrophobicContact CD1-CE1 4.2Å; I159-Y245 HydrophobicContact CD1-CE2 3.96Å; I159-Y245 HydrophobicContact CD1-CG 3.78Å; I159-Y245 HydrophobicContact CG1-CD1 4.32Å; I159-Y245 HydrophobicContact CG1-CD2 4.37Å; I159-Y245 HydrophobicContact CG1-CE1 4.02Å; I159-Y245 HydrophobicContact CG1-CE2 4.06Å; I159-Y245 HydrophobicContact CG1-CG 4.48Å; I159-Y245 HydrophobicContact CG2-CE2 4.24Å; V215-Y245 HydrophobicContact CG1-CD2 3.61Å; V215-Y245 HydrophobicContact CG1-CE2 3.64Å; A216-Y245 PolarHBondContact O-N 2.73Å; L218-Y245 WeakPolarHBondContact CB-O 3.32Å; L218-Y245 PolarHBondContact N-O 3.09Å; K243-Y245 HydrophobicContact CB-CE2 4.21Å; K243-Y245 HydrophobicContact CD-CE2 4.49Å; Y245-E267 HydrophobicContact CD1-CB 4.24Å; Y245-E267 HydrophobicContact CD2-CB 4.49Å; Y245-E267 HydrophobicContact CE1-CB 3.89Å; Y245-E267 HydrophobicContact CE1-CG 3.72Å; Y245-E267 HydrophobicContact CE2-CB 4.16Å; Y245-E267 HydrophobicContact CE2-CG 4.27Å; Y245-A268 HydrophobicContact CD1-CB 3.95Å; Y245-A268 HydrophobicContact CE1-CB 4.12Å
246A98.8Very high97.7Very high0 Ų033.5 Ų33.50%021%0.21CC..EExtended strand (participates in β ladder)trans-121.3132.4165.800000109.4L218 I229 F266 A268 V269 V270L218-A246 HydrophobicContact CB-CB 4.44Å; L218-A246 CarbonylContact O-C 3.48Å; L218-A246 WeakPolarHBondContact O-CA 3.49Å; I229-A246 HydrophobicContact CD1-CB 3.65Å; I229-A246 HydrophobicContact CG1-CB 4.3Å; A246-F266 HydrophobicContact CB-CD1 3.96Å; A246-F266 HydrophobicContact CB-CE1 3.65Å; A246-F266 HydrophobicContact CB-CZ 4.23Å; A246-A268 PolarHBondContact N-O 2.63Å; A246-V269 HydrophobicContact CB-CG1 4.24Å; A246-V269 HydrophobicContact CB-CG2 4.23Å; A246-V269 CarbonylContact O-C 3.57Å; A246-V269 WeakPolarHBondContact O-CA 3.33Å; A246-V270 PolarHBondContact O-N 3.21Å
247I98.8Very high97.7Very high1 Ų133.5 Ų33.51%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-124.4124.8174.7-52.7-178.2000108.1V151 W154 I155 I217 L218 V219 D220 V270V151-I247 HydrophobicContact CB-CG2 4.4Å; V151-I247 HydrophobicContact CG1-CD1 4.02Å; V151-I247 HydrophobicContact CG1-CG2 3.84Å; V151-I247 HydrophobicContact CG2-CG2 3.74Å; W154-I247 HydrophobicContact CE3-CD1 3.94Å; W154-I247 HydrophobicContact CZ3-CD1 4.07Å; I155-I247 HydrophobicContact CD1-CD1 3.77Å; I155-I247 HydrophobicContact CG1-CD1 3.51Å; I217-I247 HydrophobicContact CG2-CD1 3.64Å; I217-I247 HydrophobicContact CG2-CG1 3.94Å; L218-I247 PolarHBondContact O-N 3.13Å; V219-I247 WeakPolarHBondContact CA-O 3.37Å; V219-I247 HydrophobicContact CG2-CB 4.41Å; D220-I247 PolarHBondContact N-O 3.13Å; D220-I247 VanDerWaalsContact N-O 3.07Å; I247-V270 CarbonylContact C-O 3.51Å; I247-V270 WeakPolarHBondContact CA-O 3.24Å; I247-V270 HydrophobicContact CB-CB 4.49Å; I247-V270 HydrophobicContact CG1-CB 4.13Å; I247-V270 HydrophobicContact CG1-CG2 4.24Å; I247-V270 HydrophobicContact CG2-CB 4.31Å
248L98.6Very high97.7Very high2 Ų231.7 Ų31.71%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-130.1134.6-176.6-52.1161.5000108.9D220 A223 I229 F253 V269 V270 V271 T272D220-L248 HydrophobicContact CB-CD2 3.57Å; D220-L248 WeakPolarHBondContact O-CA 3.24Å; A223-L248 HydrophobicContact CB-CD1 3.31Å; A223-L248 HydrophobicContact CB-CD2 3.81Å; A223-L248 HydrophobicContact CB-CG 4.16Å; I229-L248 HydrophobicContact CD1-CD2 3.68Å; I229-L248 HydrophobicContact CD1-CG 4.39Å; L248-F253 HydrophobicContact CD1-CE1 3.55Å; L248-F253 HydrophobicContact CD1-CZ 3.73Å; L248-V269 HydrophobicContact CD1-CG1 4.21Å; L248-V270 PolarHBondContact N-O 3.17Å; L248-V271 HydrophobicContact CB-CG1 4.05Å; L248-V271 HydrophobicContact CD1-CG1 4.08Å; L248-V271 VanDerWaalsContact O-CA 3.23Å; L248-V271 WeakPolarHBondContact O-CA 3.49Å; L248-T272 PolarHBondContact O-N 2.92Å
249T98.1Very high97.8Very high10 Ų1029.6 Ų29.66%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-65.1-54.8170.5-570000109.5M127 D128 A147 D220 D221 T272 T274M127-T249 HydrophobicContact CG-CG2 4.11Å; M127-T249 HydrophobicContact SD-CG2 4.17Å; D128-T249 HydrophobicContact CB-CG2 3.91Å; D128-T249 WeakPolarHBondContact OD2-CB 3.44Å; D128-T249 VanDerWaalsContact OD2-CG2 3.22Å; D128-T249 WeakPolarHBondContact OD2-CG2 3.34Å; D128-T249 PolarHBondContact OD2-OG1 2.97Å; A147-T249 HydrophobicContact CB-CG2 3.84Å; D220-T249 PolarHBondContact O-N 3.23Å; D221-T249 CarbonylContact O-C 3.59Å; D221-T249 WeakPolarHBondContact O-CB 3.33Å; D221-T249 PolarHBondContact O-N 2.86Å; T249-T272 HydrophobicContact CG2-CG2 3.95Å; T249-T272 WeakPolarHBondContact O-CB 3.47Å; T249-T272 PolarHBondContact O-N 3.49Å; T249-T272 VanDerWaalsContact O-N 3.16Å; T249-T272 PolarHBondContact O-OG1 2.94Å; T249-T274 HydrophobicContact CG2-CG2 4.45Å; T249-T274 PolarHBondContact O-OG1 2.91Å
250H98.3Very high97.9Very high2 Ų232.6 Ų32.61%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-108106.8-175.9-42.2-69.2000112.7P90 M127 D128 D221 M222 A223 I252 T274 I275P90-H250 PolarHBondContact O-CE1 2.8Å; M127-H250 PolarHBondContact O-CE1 3.1Å; M127-H250 PolarHBondContact O-NE2 2.72Å; M127-H250 VanDerWaalsContact O-NE2 3.14Å; D128-H250 PolarHBondContact O-NE2 2.9Å; D221-H250 PolarHBondContact O-CD2 3.08Å; D221-H250 VanDerWaalsContact O-CD2 3.24Å; D221-H250 PolarHBondContact O-N 2.65Å; M222-H250 VanDerWaalsContact CA-O 3.24Å; M222-H250 WeakPolarHBondContact CA-O 3.45Å; M222-H250 HydrophobicContact CB-CB 3.84Å; M222-H250 WeakPolarHBondContact CB-O 3.37Å; A223-H250 PolarHBondContact N-O 3.22Å; H250-I252 PolarHBondContact O-N 3.37Å; H250-I252 VanDerWaalsContact O-N 3.14Å; H250-T274 PolarHBondContact ND1-OG1 2.96Å; H250-I275 HydrophobicContact CB-CD1 4.22Å
251G97.8Very high97.9Very high0 Ų031.2 Ų31.20%018%0.182CC..EExtended strand (participates in β ladder)trans-80.278.5173.400000113.3Q277 K280G251-Q277 PolarHBondContact O-NE2 2.84Å; G251-K280 PolarHBondContact O-NZ 2.88Å
252I97.5Very high97.9Very high50 Ų5033.4 Ų33.426%0.25619%0.192SC..  trans-68-45.4178.9-60.2167.7000110.1M222 A223 D224 H250 S254 I275 K280M222-I252 HydrophobicContact CB-CD1 4.25Å; M222-I252 HydrophobicContact SD-CD1 3.95Å; A223-I252 WeakPolarHBondContact O-CA 3.31Å; A223-I252 WeakPolarHBondContact O-CB 3.48Å; A223-I252 PolarHBondContact O-N 2.9Å; D224-I252 HydrophobicContact CB-CB 4.38Å; D224-I252 HydrophobicContact CB-CD1 4.44Å; D224-I252 HydrophobicContact CB-CG2 4.38Å; D224-I252 WeakPolarHBondContact OD1-CG2 3.23Å; H250-I252 PolarHBondContact O-N 3.37Å; H250-I252 VanDerWaalsContact O-N 3.14Å; I252-S254 PolarHBondContact O-N 3.47Å; I252-I275 HydrophobicContact CB-CD1 4.4Å; I252-I275 HydrophobicContact CG1-CD1 3.67Å; I252-K280 PolarHBondContact O-NZ 2.77Å
253F97.3Very high97.9Very high9 Ų934.6 Ų34.64%0.03920%0.2CC..  trans45.454.5171.2-55.9-32.2000114.8A223 D224 C226 L248 A257 I258 I261 V269 V271 K280 I287A223-F253 HydrophobicContact CB-CD1 4.45Å; A223-F253 HydrophobicContact CB-CE1 4.07Å; A223-F253 PolarHBondContact O-N 2.81Å; A223-F253 VanDerWaalsContact O-N 3.08Å; D224-F253 CarbonylContact O-C 3.43Å; D224-F253 WeakPolarHBondContact O-CA 3.21Å; D224-F253 PolarHBondContact O-N 3.21Å; C226-F253 WeakPolarHBondContact SG-CD1 3.46Å; L248-F253 HydrophobicContact CD1-CE1 3.55Å; L248-F253 HydrophobicContact CD1-CZ 3.73Å; F253-A257 VanDerWaalsContact C-CB 3.47Å; F253-A257 VanDerWaalsContact CA-CB 3.46Å; F253-A257 HydrophobicContact CB-CB 3.87Å; F253-A257 HydrophobicContact CD1-CB 4.4Å; F253-I258 HydrophobicContact CB-CD1 4.24Å; F253-I261 HydrophobicContact CD1-CD1 3.89Å; F253-I261 HydrophobicContact CE1-CD1 3.7Å; F253-I261 HydrophobicContact CE2-CD1 4.48Å; F253-I261 HydrophobicContact CG-CD1 4.34Å; F253-I261 HydrophobicContact CZ-CD1 4Å; F253-V269 HydrophobicContact CE1-CG1 4.42Å; F253-V269 HydrophobicContact CZ-CG1 3.8Å; F253-V271 HydrophobicContact CE1-CG1 4.43Å; F253-V271 HydrophobicContact CE2-CB 4.49Å; F253-V271 HydrophobicContact CE2-CG1 3.51Å; F253-V271 HydrophobicContact CE2-CG2 4.29Å; F253-V271 HydrophobicContact CZ-CG1 3.31Å; F253-K280 HydrophobicContact CB-CD 3.73Å; F253-K280 HydrophobicContact CD2-CD 3.83Å; F253-K280 HydrophobicContact CG-CD 4.3Å; F253-I287 HydrophobicContact CD2-CD1 4.11Å; F253-I287 HydrophobicContact CE2-CD1 3.88Å; F253-I287 HydrophobicContact CE2-CG1 4.44Å
254S95.3Very high97.9Very high48 Ų4831.6 Ų31.634%0.33619%0.187SC..  trans-89.3159.9178.4820000112.7D224 I252 A257D224-S254 PolarHBondContact O-N 3.16Å; D224-S254 VanDerWaalsContact OD1-CB 3.25Å; D224-S254 WeakPolarHBondContact OD1-CB 3.48Å; D224-S254 PolarHBondContact OD1-OG 2.77Å; I252-S254 PolarHBondContact O-N 3.47Å; S254-A257 WeakPolarHBondContact O-CB 3.49Å; S254-A257 PolarHBondContact O-N 3.14Å
255G96.1Very high97.9Very high73 Ų7334 Ų3475%0.75320%0.203SC*.THydrogen-bonded Turntrans56.3-124175.600000112.6A257G255-A257 PolarHBondContact O-N 3.08Å; G255-A257 VanDerWaalsContact O-N 3.17Å
256P97.4Very high97.9Very high54 Ų5433.8 Ų33.835%0.35120%0.203SC..THydrogen-bonded Turntrans-78.99-174.535.6-38.6000114.2I258 T259 R260P256-I258 PolarHBondContact O-N 2.91Å; P256-T259 PolarHBondContact O-N 3.05Å; P256-R260 HydrophobicContact CB-CG 4.44Å; P256-R260 VanDerWaalsContact CG-CZ 3.42Å; P256-R260 WeakPolarHBondContact O-CB 3.24Å; P256-R260 VanDerWaalsContact O-CG 3.31Å; P256-R260 WeakPolarHBondContact O-CG 3.31Å; P256-R260 PolarHBondContact O-N 2.75Å
257A97.9Very high97.9Very high0 Ų038.3 Ų38.30%022%0.224CC..Hα-helixtrans-56.1-47.9-170.900000113.5D224 C226 F253 S254 G255 R260 I261D224-A257 WeakPolarHBondContact O-CB 3.38Å; C226-A257 HydrophobicContact CB-CB 4.3Å; F253-A257 VanDerWaalsContact C-CB 3.47Å; F253-A257 VanDerWaalsContact CA-CB 3.46Å; F253-A257 HydrophobicContact CB-CB 3.87Å; F253-A257 HydrophobicContact CD1-CB 4.4Å; S254-A257 WeakPolarHBondContact O-CB 3.49Å; S254-A257 PolarHBondContact O-N 3.14Å; G255-A257 PolarHBondContact O-N 3.08Å; G255-A257 VanDerWaalsContact O-N 3.17Å; A257-R260 PolarHBondContact O-N 3.31Å; A257-I261 VanDerWaalsContact O-CG1 3.28Å; A257-I261 WeakPolarHBondContact O-CG1 3.46Å; A257-I261 PolarHBondContact O-N 3.29Å
258I98.3Very high97.9Very high29 Ų2938.4 Ų38.415%0.14922%0.224CC..Hα-helixtrans-64.2-46.5-176.5-62.7-56.3000111.8F253 P256 R260 I261 N262 K280 C284 I287F253-I258 HydrophobicContact CB-CD1 4.24Å; P256-I258 PolarHBondContact O-N 2.91Å; I258-R260 VanDerWaalsContact C-N 3.34Å; I258-R260 PolarHBondContact O-N 3.01Å; I258-I261 PolarHBondContact O-N 3.32Å; I258-N262 PolarHBondContact O-N 2.78Å; I258-N262 PolarHBondContact O-ND2 2.7Å; I258-K280 HydrophobicContact CD1-CB 3.79Å; I258-K280 HydrophobicContact CD1-CD 4.21Å; I258-K280 HydrophobicContact CD1-CG 4.03Å; I258-K280 HydrophobicContact CG1-CG 4.46Å; I258-C284 HydrophobicContact CD1-CB 4.35Å; I258-C284 HydrophobicContact CG2-CB 3.95Å; I258-I287 HydrophobicContact CD1-CD1 3.8Å
259T98.1Very high97.9Very high86 Ų8638.4 Ų38.453%0.52822%0.224SC..Hα-helixtrans-58.3-47.7174.7-50.30000110.9P256 I261 N262 D263P256-T259 PolarHBondContact O-N 3.05Å; T259-I261 VanDerWaalsContact C-N 3.32Å; T259-I261 PolarHBondContact O-N 3.48Å; T259-N262 PolarHBondContact O-N 2.84Å; T259-D263 VanDerWaalsContact O-CG 3.26Å; T259-D263 PolarHBondContact O-N 3.11Å
260R98.3Very high97.9Very high98 Ų9837.9 Ų37.937%0.3722%0.221SC..Hα-helixtrans-61.7-36.7178.4-73.5173.6174.5170.90.9113.3T225 C230 P256 A257 I258 A264T225-R260 VanDerWaalsContact O-CD 3.26Å; T225-R260 WeakPolarHBondContact O-CD 3.37Å; T225-R260 PolarHBondContact O-NH1 2.93Å; T225-R260 PolarHBondContact OG1-NH1 2.57Å; C230-R260 PolarHBondContact SG-O 3.07Å; C230-R260 VanDerWaalsContact SG-O 3.35Å; P256-R260 HydrophobicContact CB-CG 4.44Å; P256-R260 VanDerWaalsContact CG-CZ 3.42Å; P256-R260 WeakPolarHBondContact O-CB 3.24Å; P256-R260 VanDerWaalsContact O-CG 3.31Å; P256-R260 WeakPolarHBondContact O-CG 3.31Å; P256-R260 PolarHBondContact O-N 2.75Å; A257-R260 PolarHBondContact O-N 3.31Å; I258-R260 VanDerWaalsContact C-N 3.34Å; I258-R260 PolarHBondContact O-N 3.01Å; R260-A264 WeakPolarHBondContact O-CB 3.5Å; R260-A264 PolarHBondContact O-N 2.84Å
261I98.4Very high97.9Very high1 Ų137.9 Ų37.91%0.00522%0.221CC..Hα-helixtrans-67.7-43.9176.3-70.3163.4000110.5C226 F253 A257 I258 T259 D263 A264 F266 V269 C284 K286C226-I261 HydrophobicContact CB-CG1 4.26Å; F253-I261 HydrophobicContact CD1-CD1 3.89Å; F253-I261 HydrophobicContact CE1-CD1 3.7Å; F253-I261 HydrophobicContact CE2-CD1 4.48Å; F253-I261 HydrophobicContact CG-CD1 4.34Å; F253-I261 HydrophobicContact CZ-CD1 4Å; A257-I261 VanDerWaalsContact O-CG1 3.28Å; A257-I261 WeakPolarHBondContact O-CG1 3.46Å; A257-I261 PolarHBondContact O-N 3.29Å; I258-I261 PolarHBondContact O-N 3.32Å; T259-I261 VanDerWaalsContact C-N 3.32Å; T259-I261 PolarHBondContact O-N 3.48Å; I261-D263 VanDerWaalsContact C-N 3.31Å; I261-D263 PolarHBondContact O-N 3.18Å; I261-A264 PolarHBondContact O-N 3.15Å; I261-F266 HydrophobicContact CG2-CD2 4.44Å; I261-V269 HydrophobicContact CD1-CG1 4.47Å; I261-V269 HydrophobicContact CG1-CG2 4.47Å; I261-V269 HydrophobicContact CG2-CB 4.25Å; I261-V269 HydrophobicContact CG2-CG2 3.51Å; I261-C284 WeakPolarHBondContact CG2-SG 3.37Å; I261-K286 HydrophobicContact CG2-CB 4.35Å; I261-K286 HydrophobicContact CG2-CD 4.45Å; I261-K286 PolarHBondContact O-NZ 3Å
262N98.3Very high98Very high53 Ų5337.9 Ų37.928%0.28322%0.221SC..Hα-helixtrans-60.6-42.7178.1-76.6-26.7000111.5I258 T259 S283 C284 K286I258-N262 PolarHBondContact O-N 2.78Å; I258-N262 PolarHBondContact O-ND2 2.7Å; T259-N262 PolarHBondContact O-N 2.84Å; N262-S283 PolarHBondContact ND2-O 3.14Å; N262-C284 PolarHBondContact OD1-SG 2.91Å; N262-K286 PolarHBondContact O-NZ 3.34Å
263D98.2Very high97.9Very high130 Ų13035.6 Ų35.670%0.69521%0.21SC*.Hα-helixtrans-77.6-25.8-178.3-61.2-21.1000113.4T259 I261T259-D263 VanDerWaalsContact O-CG 3.26Å; T259-D263 PolarHBondContact O-N 3.11Å; I261-D263 VanDerWaalsContact C-N 3.31Å; I261-D263 PolarHBondContact O-N 3.18Å
264A98Very high98Very high3 Ų335.2 Ų35.23%0.02521%0.208CC..SBendtrans-75.2154.8-177.800000113C230 R260 I261 F266 K286C230-A264 HydrophobicContact CB-CB 3.94Å; R260-A264 WeakPolarHBondContact O-CB 3.5Å; R260-A264 PolarHBondContact O-N 2.84Å; I261-A264 PolarHBondContact O-N 3.15Å; A264-F266 HydrophobicContact CB-CD2 3.54Å; A264-F266 HydrophobicContact CB-CE2 3.49Å; A264-F266 VanDerWaalsContact CB-CE2 3.49Å; A264-F266 HydrophobicContact CB-CZ 4.47Å; A264-F266 PolarHBondContact O-N 3.16Å; A264-K286 PolarHBondContact O-NZ 3.38Å
265P97.9Very high98.1Very high52 Ų5233.2 Ų33.234%0.33819%0.194SC..  trans-7946.7-176.235.3-38.2000113A233 E234 I237A233-P265 HydrophobicContact CB-CG 4.11Å; E234-P265 HydrophobicContact CG-CG 4.41Å; I237-P265 HydrophobicContact CD1-CB 4.5Å; I237-P265 HydrophobicContact CG1-CB 3.91Å; I237-P265 HydrophobicContact CG1-CG 3.82Å
266F98.6Very high98.1Very high9 Ų931.7 Ų31.74%0.03917%0.17CC..EExtended strand (participates in β ladder)trans-85.5133.6172.2-63.7-63.3000111.3L218 I229 A233 V244 A246 I261 A264 V269 K286L218-F266 HydrophobicContact CD1-CE1 4.04Å; I229-F266 HydrophobicContact CG1-CE1 4.47Å; I229-F266 HydrophobicContact CG1-CZ 4.11Å; I229-F266 HydrophobicContact CG2-CZ 4.19Å; I229-F266 WeakPolarHBondContact O-CZ 3.48Å; A233-F266 HydrophobicContact CB-CD1 4.05Å; A233-F266 HydrophobicContact CB-CE1 3.42Å; A233-F266 VanDerWaalsContact CB-CE1 3.42Å; A233-F266 HydrophobicContact CB-CE2 4.36Å; A233-F266 HydrophobicContact CB-CZ 3.59Å; V244-F266 HydrophobicContact CG1-CD1 4.03Å; V244-F266 HydrophobicContact CG1-CE1 4.06Å; V244-F266 CarbonylContact O-C 3.48Å; V244-F266 WeakPolarHBondContact O-CA 3.25Å; A246-F266 HydrophobicContact CB-CD1 3.96Å; A246-F266 HydrophobicContact CB-CE1 3.65Å; A246-F266 HydrophobicContact CB-CZ 4.23Å; I261-F266 HydrophobicContact CG2-CD2 4.44Å; A264-F266 HydrophobicContact CB-CD2 3.54Å; A264-F266 HydrophobicContact CB-CE2 3.49Å; A264-F266 VanDerWaalsContact CB-CE2 3.49Å; A264-F266 HydrophobicContact CB-CZ 4.47Å; A264-F266 PolarHBondContact O-N 3.16Å; F266-V269 HydrophobicContact CB-CG2 3.92Å; F266-V269 HydrophobicContact CD1-CG2 4.37Å; F266-V269 HydrophobicContact CD2-CG2 3.76Å; F266-V269 HydrophobicContact CE2-CG2 4.37Å; F266-V269 HydrophobicContact CG-CG2 3.77Å; F266-K286 HydrophobicContact CB-CD 4.4Å; F266-K286 VanDerWaalsContact O-CE 3.26Å; F266-K286 WeakPolarHBondContact O-CE 3.43Å
267E98.4Very high98Very high95 Ų9529.1 Ų29.144%0.44415%0.154SC..EExtended strand (participates in β ladder)trans-69.9-47.8164.3-174.678.316200110K243 V244 Y245K243-E267 HydrophobicContact CD-CG 4.22Å; K243-E267 IonicContact NZ-OE1 3.2Å; K243-E267 PolarHBondContact NZ-OE1 2.59Å; V244-E267 PolarHBondContact O-N 2.87Å; Y245-E267 HydrophobicContact CD1-CB 4.24Å; Y245-E267 HydrophobicContact CD2-CB 4.49Å; Y245-E267 HydrophobicContact CE1-CB 3.89Å; Y245-E267 HydrophobicContact CE1-CG 3.72Å; Y245-E267 HydrophobicContact CE2-CB 4.16Å; Y245-E267 HydrophobicContact CE2-CG 4.27Å
268A98.5Very high97.8Very high2 Ų232.6 Ų32.62%0.01717%0.17CC..EExtended strand (participates in β ladder)trans-151.1153.2172.700000111.2Y245 A246 K286Y245-A268 HydrophobicContact CD1-CB 3.95Å; Y245-A268 HydrophobicContact CE1-CB 4.12Å; A246-A268 PolarHBondContact N-O 2.63Å; A268-K286 WeakPolarHBondContact CA-O 3.45Å
269V98.8Very high97.6Very high2 Ų237.2 Ų37.21%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-118.1106.6171-1780000108.3A246 L248 F253 I261 F266 V271 K286 I287 Q288A246-V269 HydrophobicContact CB-CG1 4.24Å; A246-V269 HydrophobicContact CB-CG2 4.23Å; A246-V269 CarbonylContact O-C 3.57Å; A246-V269 WeakPolarHBondContact O-CA 3.33Å; L248-V269 HydrophobicContact CD1-CG1 4.21Å; F253-V269 HydrophobicContact CE1-CG1 4.42Å; F253-V269 HydrophobicContact CZ-CG1 3.8Å; I261-V269 HydrophobicContact CD1-CG1 4.47Å; I261-V269 HydrophobicContact CG1-CG2 4.47Å; I261-V269 HydrophobicContact CG2-CB 4.25Å; I261-V269 HydrophobicContact CG2-CG2 3.51Å; F266-V269 HydrophobicContact CB-CG2 3.92Å; F266-V269 HydrophobicContact CD1-CG2 4.37Å; F266-V269 HydrophobicContact CD2-CG2 3.76Å; F266-V269 HydrophobicContact CE2-CG2 4.37Å; F266-V269 HydrophobicContact CG-CG2 3.77Å; V269-V271 HydrophobicContact CG1-CG1 4.49Å; V269-K286 PolarHBondContact N-O 2.99Å; V269-I287 CarbonylContact O-C 3.59Å; V269-I287 VanDerWaalsContact O-CA 3.24Å; V269-I287 WeakPolarHBondContact O-CA 3.5Å; V269-Q288 PolarHBondContact O-N 2.52Å
270V98.8Very high97.5Very high0 Ų035.1 Ų35.10%017%0.174CC..EExtended strand (participates in β ladder)trans-96.4131.1-175.9-1690000109.2W154 A246 I247 L248 Q288 I290W154-V270 HydrophobicContact CD2-CG1 4.03Å; W154-V270 HydrophobicContact CD2-CG2 3.98Å; W154-V270 HydrophobicContact CE3-CG2 3.94Å; W154-V270 HydrophobicContact CG-CG1 4.3Å; W154-V270 HydrophobicContact CH2-CG2 3.3Å; W154-V270 HydrophobicContact CZ2-CG1 4.48Å; W154-V270 HydrophobicContact CZ2-CG2 3.28Å; W154-V270 HydrophobicContact CZ3-CG2 3.62Å; A246-V270 PolarHBondContact O-N 3.21Å; I247-V270 CarbonylContact C-O 3.51Å; I247-V270 WeakPolarHBondContact CA-O 3.24Å; I247-V270 HydrophobicContact CB-CB 4.49Å; I247-V270 HydrophobicContact CG1-CB 4.13Å; I247-V270 HydrophobicContact CG1-CG2 4.24Å; I247-V270 HydrophobicContact CG2-CB 4.31Å; L248-V270 PolarHBondContact N-O 3.17Å; V270-Q288 WeakPolarHBondContact CA-O 3.5Å; V270-Q288 HydrophobicContact CG2-CB 4.47Å; V270-I290 HydrophobicContact CG1-CD1 3.63Å; V270-I290 HydrophobicContact CG1-CG1 3.67Å
271V98.6Very high97.4Very high1 Ų134 Ų341%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-132.7160.2175.4-58.20000111.7L248 F253 V269 Q277 I287 Q288 I289 I290L248-V271 HydrophobicContact CB-CG1 4.05Å; L248-V271 HydrophobicContact CD1-CG1 4.08Å; L248-V271 VanDerWaalsContact O-CA 3.23Å; L248-V271 WeakPolarHBondContact O-CA 3.49Å; F253-V271 HydrophobicContact CE1-CG1 4.43Å; F253-V271 HydrophobicContact CE2-CB 4.49Å; F253-V271 HydrophobicContact CE2-CG1 3.51Å; F253-V271 HydrophobicContact CE2-CG2 4.29Å; F253-V271 HydrophobicContact CZ-CG1 3.31Å; V269-V271 HydrophobicContact CG1-CG1 4.49Å; V271-Q277 HydrophobicContact CG2-CG 3.7Å; V271-I287 HydrophobicContact CG2-CG2 4.14Å; V271-Q288 PolarHBondContact N-O 2.86Å; V271-I289 CarbonylContact O-C 3.58Å; V271-I289 VanDerWaalsContact O-CA 3.26Å; V271-I289 WeakPolarHBondContact O-CA 3.25Å; V271-I290 PolarHBondContact O-N 3.25Å
272T98.6Very high97.3Very high1 Ų141 Ų411%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-83163165.373.50000111.1A147 L248 T249 T274 I290 I292A147-T272 HydrophobicContact CB-CG2 3.97Å; L248-T272 PolarHBondContact O-N 2.92Å; T249-T272 HydrophobicContact CG2-CG2 3.95Å; T249-T272 WeakPolarHBondContact O-CB 3.47Å; T249-T272 PolarHBondContact O-N 3.49Å; T249-T272 VanDerWaalsContact O-N 3.16Å; T249-T272 PolarHBondContact O-OG1 2.94Å; T272-T274 PolarHBondContact O-N 2.66Å; T272-T274 WeakPolarHBondContact OG1-CB 3.5Å; T272-T274 WeakPolarHBondContact OG1-CG2 3.15Å; T272-T274 PolarHBondContact OG1-N 3.48Å; T272-T274 PolarHBondContact OG1-OG1 3.26Å; T272-I290 VanDerWaalsContact CA-O 3.3Å; T272-I290 WeakPolarHBondContact CA-O 3.44Å; T272-I290 HydrophobicContact CG2-CB 4.45Å; T272-I292 HydrophobicContact CG2-CG2 3.74Å
273N97.4Very high97.2Very high2 Ų242.1 Ų42.11%0.01122%0.217CC..THydrogen-bonded Turntrans-81.722.4168.563.3-18.4000113.9H12 I275 I289 I290 D291 I292H12-N273 PolarHBondContact CD2-O 3.41Å; H12-N273 VanDerWaalsContact CD2-O 3.26Å; H12-N273 PolarHBondContact NE2-O 3.18Å; N273-I275 PolarHBondContact O-N 3.13Å; N273-I275 VanDerWaalsContact O-N 3.17Å; N273-I289 HydrophobicContact CB-CG2 3.81Å; N273-I290 PolarHBondContact N-O 2.98Å; N273-I290 PolarHBondContact OD1-O 2.82Å; N273-D291 PolarHBondContact ND2-OD1 2.89Å; N273-I292 WeakPolarHBondContact OD1-CD1 3.35Å; N273-I292 VanDerWaalsContact OD1-CG1 3.24Å; N273-I292 WeakPolarHBondContact OD1-CG1 3.32Å; N273-I292 PolarHBondContact OD1-N 3.28Å
274T97.8Very high97.2Very high0 Ų036 Ų360%018%0.184CC..THydrogen-bonded Turntrans-57.7-24.1169.652.40000113.1S58 P90 M127 T249 H250 T272 I292S58-T274 WeakPolarHBondContact CB-O 3.38Å; S58-T274 PolarHBondContact OG-O 3.16Å; P90-T274 HydrophobicContact CB-CG2 3.83Å; M127-T274 HydrophobicContact CB-CG2 4.36Å; M127-T274 HydrophobicContact CG-CG2 4.42Å; M127-T274 HydrophobicContact SD-CG2 3.66Å; T249-T274 HydrophobicContact CG2-CG2 4.45Å; T249-T274 PolarHBondContact O-OG1 2.91Å; H250-T274 PolarHBondContact ND1-OG1 2.96Å; T272-T274 PolarHBondContact O-N 2.66Å; T272-T274 WeakPolarHBondContact OG1-CB 3.5Å; T272-T274 WeakPolarHBondContact OG1-CG2 3.15Å; T272-T274 PolarHBondContact OG1-N 3.48Å; T272-T274 PolarHBondContact OG1-OG1 3.26Å; T274-I292 HydrophobicContact CG2-CD1 4.22Å; T274-I292 HydrophobicContact CG2-CG1 3.86Å
275I97Very high97.1Very high7 Ų741.5 Ų41.54%0.03622%0.219CC..SBendtrans-125.6140.9170.7-63-176.4000107.1C60 C91 H250 I252 N273 Q277C60-I275 HydrophobicContact CB-CB 4.2Å; C60-I275 HydrophobicContact CB-CD1 3.97Å; C60-I275 HydrophobicContact CB-CG1 3.82Å; C60-I275 HydrophobicContact CB-CG2 3.61Å; C91-I275 HydrophobicContact CB-CD1 4.15Å; C91-I275 HydrophobicContact CB-CG1 3.96Å; H250-I275 HydrophobicContact CB-CD1 4.22Å; I252-I275 HydrophobicContact CB-CD1 4.4Å; I252-I275 HydrophobicContact CG1-CD1 3.67Å; N273-I275 PolarHBondContact O-N 3.13Å; N273-I275 VanDerWaalsContact O-N 3.17Å; I275-Q277 WeakPolarHBondContact O-CG 3.34Å; I275-Q277 PolarHBondContact O-NE2 3.17Å
276P96.4Very high97.1Very high40 Ų4041.5 Ų41.526%0.2621%0.214SC..  trans-55.2137175.5-22.730.8000112.9S11 H12S11-P276 WeakPolarHBondContact O-CG 3.15Å; H12-P276 HydrophobicContact CB-CG 4.06Å
277Q96.4Very high97.1Very high1 Ų141.3 Ų41.31%0.00521%0.213CC..  trans-130.2-6.6-175.3-57.1-57.1-37.800114G251 V271 I275 E279 K280 M281 I289G251-Q277 PolarHBondContact O-NE2 2.84Å; V271-Q277 HydrophobicContact CG2-CG 3.7Å; I275-Q277 WeakPolarHBondContact O-CG 3.34Å; I275-Q277 PolarHBondContact O-NE2 3.17Å; Q277-E279 VanDerWaalsContact C-N 3.32Å; Q277-E279 PolarHBondContact O-N 3.35Å; Q277-K280 WeakPolarHBondContact O-CA 3.41Å; Q277-K280 WeakPolarHBondContact O-CB 3.41Å; Q277-K280 PolarHBondContact O-N 2.8Å; Q277-M281 WeakPolarHBondContact O-CG 3.26Å; Q277-M281 PolarHBondContact O-N 3.31Å; Q277-I289 HydrophobicContact CB-CD1 3.7Å; Q277-I289 HydrophobicContact CB-CG1 4.17Å; Q277-I289 HydrophobicContact CG-CD1 4.3Å; Q277-I289 HydrophobicContact CG-CG1 4.42Å
278E93.4Very high97.1Very high72 Ų7240.4 Ų40.434%0.33621%0.209SC..Hα-helixtrans-55.7-46.3-170.5-65.170.3-155.900111.2K280 K282E278-K280 PolarHBondContact O-N 2.88Å; E278-K282 WeakPolarHBondContact O-CG 3.24Å; E278-K282 PolarHBondContact O-N 2.73Å
279E93.5Very high97.1Very high127 Ų12743 Ų4359%0.59322%0.222SC*.Hα-helixtrans-67.8-34.3177.2-66.3-52.9132.900112.9Q277 K282Q277-E279 VanDerWaalsContact C-N 3.32Å; Q277-E279 PolarHBondContact O-N 3.35Å; E279-K282 VanDerWaalsContact CD-NZ 3.29Å; E279-K282 PolarHBondContact O-N 2.83Å; E279-K282 IonicContact OE1-NZ 2.69Å; E279-K282 PolarHBondContact OE1-NZ 2.98Å; E279-K282 IonicContact OE2-NZ 3.98Å; E279-K282 PolarHBondContact OE2-NZ 2.86Å
280K95.9Very high97.1Very high41 Ų4143.7 Ų43.718%0.17823%0.226CC..Hα-helixtrans-72.2-37.9-179.4-66.7178.7-169.4161.80111.6G251 I252 F253 I258 Q277 E278 K282 S283 C284 I287G251-K280 PolarHBondContact O-NZ 2.88Å; I252-K280 PolarHBondContact O-NZ 2.77Å; F253-K280 HydrophobicContact CB-CD 3.73Å; F253-K280 HydrophobicContact CD2-CD 3.83Å; F253-K280 HydrophobicContact CG-CD 4.3Å; I258-K280 HydrophobicContact CD1-CB 3.79Å; I258-K280 HydrophobicContact CD1-CD 4.21Å; I258-K280 HydrophobicContact CD1-CG 4.03Å; I258-K280 HydrophobicContact CG1-CG 4.46Å; Q277-K280 WeakPolarHBondContact O-CA 3.41Å; Q277-K280 WeakPolarHBondContact O-CB 3.41Å; Q277-K280 PolarHBondContact O-N 2.8Å; E278-K280 PolarHBondContact O-N 2.88Å; K280-K282 VanDerWaalsContact C-N 3.32Å; K280-K282 PolarHBondContact O-N 3.03Å; K280-S283 CarbonylContact O-C 3.54Å; K280-S283 PolarHBondContact O-N 3.19Å; K280-S283 VanDerWaalsContact O-N 3.13Å; K280-C284 WeakPolarHBondContact O-CB 3.37Å; K280-C284 PolarHBondContact O-N 2.94Å; K280-I287 HydrophobicContact CB-CD1 4.16Å
281M97Very high97Very high74 Ų7446.6 Ų46.637%0.36524%0.241SC..Hα-helixtrans-62.7-36.5175.5-71.3179.776.500112.7Q277 S283 C284 I287 I289Q277-M281 WeakPolarHBondContact O-CG 3.26Å; Q277-M281 PolarHBondContact O-N 3.31Å; M281-S283 PolarHBondContact O-N 2.83Å; M281-S283 VanDerWaalsContact O-N 3.17Å; M281-C284 CarbonylContact O-C 3.59Å; M281-C284 PolarHBondContact O-N 3.48Å; M281-C284 VanDerWaalsContact O-N 3.16Å; M281-I287 HydrophobicContact CG-CB 4.07Å; M281-I287 HydrophobicContact CG-CG2 3.71Å; M281-I289 HydrophobicContact CE-CD1 4.47Å; M281-I289 HydrophobicContact CE-CG1 4.45Å; M281-I289 HydrophobicContact CG-CD1 4.44Å; M281-I289 HydrophobicContact SD-CD1 3.24Å; M281-I289 WeakPolarHBondContact SD-CD1 3.43Å; M281-I289 HydrophobicContact SD-CG1 3.61Å
282K96.6Very high96.9Very high150 Ų15046.5 Ų46.565%0.65224%0.241SC*.Hα-helixtrans-57.8-30.8175-67173.6-171.7170.30112.5E278 E279 K280E278-K282 WeakPolarHBondContact O-CG 3.24Å; E278-K282 PolarHBondContact O-N 2.73Å; E279-K282 VanDerWaalsContact CD-NZ 3.29Å; E279-K282 PolarHBondContact O-N 2.83Å; E279-K282 IonicContact OE1-NZ 2.69Å; E279-K282 PolarHBondContact OE1-NZ 2.98Å; E279-K282 IonicContact OE2-NZ 3.98Å; E279-K282 PolarHBondContact OE2-NZ 2.86Å; K280-K282 VanDerWaalsContact C-N 3.32Å; K280-K282 PolarHBondContact O-N 3.03Å
283S96.3Very high96.9Very high76 Ų7646.5 Ų46.553%0.53124%0.24SC..THydrogen-bonded Turntrans-102.1-2.9-177.6-58.70000113.3N262 K280 M281N262-S283 PolarHBondContact ND2-O 3.14Å; K280-S283 CarbonylContact O-C 3.54Å; K280-S283 PolarHBondContact O-N 3.19Å; K280-S283 VanDerWaalsContact O-N 3.13Å; M281-S283 PolarHBondContact O-N 2.83Å; M281-S283 VanDerWaalsContact O-N 3.17Å
284C97.3Very high96.8Very high0 Ų048.7 Ų48.70%025%0.251CS..  trans-146.995.5-175.5-165.40000111.1I258 I261 N262 K280 M281 K286 I287I258-C284 HydrophobicContact CD1-CB 4.35Å; I258-C284 HydrophobicContact CG2-CB 3.95Å; I261-C284 WeakPolarHBondContact CG2-SG 3.37Å; N262-C284 PolarHBondContact OD1-SG 2.91Å; K280-C284 WeakPolarHBondContact O-CB 3.37Å; K280-C284 PolarHBondContact O-N 2.94Å; M281-C284 CarbonylContact O-C 3.59Å; M281-C284 PolarHBondContact O-N 3.48Å; M281-C284 VanDerWaalsContact O-N 3.16Å; C284-K286 PolarHBondContact O-N 3.27Å; C284-K286 VanDerWaalsContact O-N 3.15Å; C284-I287 HydrophobicContact CB-CD1 3.65Å; C284-I287 HydrophobicContact CB-CG1 3.9Å; C284-I287 PolarHBondContact O-N 3.39Å
285P97.1Very high96.7Very high120 Ų12049.1 Ų49.178%0.77925%0.253SS*.THydrogen-bonded Turntrans-68.7-13.4-177.528.8-35.6000113.4I287P285-I287 VanDerWaalsContact C-N 3.32Å
286K98Very high96.8Very high51 Ų5148.8 Ų48.822%0.22225%0.252CS..THydrogen-bonded Turntrans-76.8-16.9176.8-66.2176.9173.5173.30112.9I261 N262 A264 F266 A268 V269 C284I261-K286 HydrophobicContact CG2-CB 4.35Å; I261-K286 HydrophobicContact CG2-CD 4.45Å; I261-K286 PolarHBondContact O-NZ 3Å; N262-K286 PolarHBondContact O-NZ 3.34Å; A264-K286 PolarHBondContact O-NZ 3.38Å; F266-K286 HydrophobicContact CB-CD 4.4Å; F266-K286 VanDerWaalsContact O-CE 3.26Å; F266-K286 WeakPolarHBondContact O-CE 3.43Å; A268-K286 WeakPolarHBondContact CA-O 3.45Å; V269-K286 PolarHBondContact N-O 2.99Å; C284-K286 PolarHBondContact O-N 3.27Å; C284-K286 VanDerWaalsContact O-N 3.15Å
287I98.6Very high96.8Very high5 Ų547.1 Ų47.13%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-77.8129.6-176.8-66.5175.1000110.4F253 I258 V269 V271 K280 M281 C284 P285F253-I287 HydrophobicContact CD2-CD1 4.11Å; F253-I287 HydrophobicContact CE2-CD1 3.88Å; F253-I287 HydrophobicContact CE2-CG1 4.44Å; I258-I287 HydrophobicContact CD1-CD1 3.8Å; V269-I287 CarbonylContact O-C 3.59Å; V269-I287 VanDerWaalsContact O-CA 3.24Å; V269-I287 WeakPolarHBondContact O-CA 3.5Å; V271-I287 HydrophobicContact CG2-CG2 4.14Å; K280-I287 HydrophobicContact CB-CD1 4.16Å; M281-I287 HydrophobicContact CG-CB 4.07Å; M281-I287 HydrophobicContact CG-CG2 3.71Å; C284-I287 HydrophobicContact CB-CD1 3.65Å; C284-I287 HydrophobicContact CB-CG1 3.9Å; C284-I287 PolarHBondContact O-N 3.39Å; P285-I287 VanDerWaalsContact C-N 3.32Å
288Q98.4Very high96.9Very high76 Ų7648.6 Ų48.636%0.35525%0.248SC..EExtended strand (participates in β ladder)trans-122.4149.9170.6-58.8-171.120.800110.3W154 V269 V270 V271W154-Q288 VanDerWaalsContact CZ2-OE1 3.27Å; V269-Q288 PolarHBondContact O-N 2.52Å; V270-Q288 WeakPolarHBondContact CA-O 3.5Å; V270-Q288 HydrophobicContact CG2-CB 4.47Å; V271-Q288 PolarHBondContact N-O 2.86Å
289I97.9Very high97.1Very high56 Ų5645.1 Ų45.129%0.28723%0.232SC..EExtended strand (participates in β ladder)trans-113.3132.3-177.2-61.9178.5000110.7V271 N273 Q277 M281V271-I289 CarbonylContact O-C 3.58Å; V271-I289 VanDerWaalsContact O-CA 3.26Å; V271-I289 WeakPolarHBondContact O-CA 3.25Å; N273-I289 HydrophobicContact CB-CG2 3.81Å; Q277-I289 HydrophobicContact CB-CD1 3.7Å; Q277-I289 HydrophobicContact CB-CG1 4.17Å; Q277-I289 HydrophobicContact CG-CD1 4.3Å; Q277-I289 HydrophobicContact CG-CG1 4.42Å; M281-I289 HydrophobicContact CE-CD1 4.47Å; M281-I289 HydrophobicContact CE-CG1 4.45Å; M281-I289 HydrophobicContact CG-CD1 4.44Å; M281-I289 HydrophobicContact SD-CD1 3.24Å; M281-I289 WeakPolarHBondContact SD-CD1 3.43Å; M281-I289 HydrophobicContact SD-CG1 3.61Å
290I98.1Very high97.3Very high17 Ų1739.1 Ų39.19%0.08720%0.204CC..EExtended strand (participates in β ladder)trans-94.2118.8160.8-61.4172.7000107.8A150 V151 W154 V270 V271 T272 N273 I292A150-I290 HydrophobicContact CB-CG2 3.76Å; V151-I290 HydrophobicContact CG2-CD1 4.25Å; W154-I290 HydrophobicContact CB-CD1 3.81Å; W154-I290 HydrophobicContact CB-CG1 4.28Å; W154-I290 HydrophobicContact CG-CD1 4Å; W154-I290 HydrophobicContact CG-CG1 4.16Å; V270-I290 HydrophobicContact CG1-CD1 3.63Å; V270-I290 HydrophobicContact CG1-CG1 3.67Å; V271-I290 PolarHBondContact O-N 3.25Å; T272-I290 VanDerWaalsContact CA-O 3.3Å; T272-I290 WeakPolarHBondContact CA-O 3.44Å; T272-I290 HydrophobicContact CG2-CB 4.45Å; N273-I290 PolarHBondContact N-O 2.98Å; N273-I290 PolarHBondContact OD1-O 2.82Å; I290-I292 HydrophobicContact CG2-CG2 4.37Å; I290-I292 PolarHBondContact O-N 3.1Å
291D97Very high97.4Very high61 Ų6140.8 Ų40.833%0.32621%0.209SC..  trans-74.7120.4174.7-179.825.8000110.4R22 N273 A293R22-D291 IonicContact CZ-OD2 3.7Å; R22-D291 IonicContact NE-OD2 2.78Å; R22-D291 IonicContact NH2-OD2 3.77Å; R22-D291 PolarHBondContact NH2-OD2 3.09Å; N273-D291 PolarHBondContact ND2-OD1 2.89Å; D291-A293 WeakPolarHBondContact OD1-CB 3.35Å; D291-A293 PolarHBondContact OD1-N 3.02Å
292I97Very high97.4Very high0 Ų039.1 Ų39.10%020%0.199CC..  trans-104.86.41775851.5000113.4L15 M127 T272 N273 T274 I290 M294 I295 L296L15-I292 HydrophobicContact CD1-CD1 3.6Å; L15-I292 HydrophobicContact CD2-CD1 3.98Å; L15-I292 HydrophobicContact CG-CD1 4.45Å; M127-I292 HydrophobicContact CE-CB 3.73Å; M127-I292 HydrophobicContact CE-CG1 4Å; M127-I292 HydrophobicContact CE-CG2 4.08Å; M127-I292 HydrophobicContact SD-CB 4.07Å; M127-I292 HydrophobicContact SD-CG1 3.94Å; M127-I292 HydrophobicContact SD-CG2 3.96Å; T272-I292 HydrophobicContact CG2-CG2 3.74Å; N273-I292 WeakPolarHBondContact OD1-CD1 3.35Å; N273-I292 VanDerWaalsContact OD1-CG1 3.24Å; N273-I292 WeakPolarHBondContact OD1-CG1 3.32Å; N273-I292 PolarHBondContact OD1-N 3.28Å; T274-I292 HydrophobicContact CG2-CD1 4.22Å; T274-I292 HydrophobicContact CG2-CG1 3.86Å; I290-I292 HydrophobicContact CG2-CG2 4.37Å; I290-I292 PolarHBondContact O-N 3.1Å; I292-M294 PolarHBondContact O-N 2.95Å; I292-I295 HydrophobicContact CB-CD1 4.44Å; I292-I295 HydrophobicContact CG2-CD1 4.17Å; I292-I295 PolarHBondContact O-N 3.45Å; I292-I295 VanDerWaalsContact O-N 3.09Å; I292-L296 HydrophobicContact CD1-CD1 3.55Å; I292-L296 HydrophobicContact CD1-CG 4.06Å; I292-L296 PolarHBondContact O-N 3.26Å; I292-L296 VanDerWaalsContact O-N 3.08Å
293A97.1Very high97.5Very high0 Ų032.6 Ų32.60%017%0.172CC..Hα-helixtrans-57.7-36.2179.500000112.3L15 K18 V19 D291 L296 A297L15-A293 HydrophobicContact CD1-CB 3.91Å; K18-A293 HydrophobicContact CB-CB 3.6Å; V19-A293 HydrophobicContact CG2-CB 4.12Å; D291-A293 WeakPolarHBondContact OD1-CB 3.35Å; D291-A293 PolarHBondContact OD1-N 3.02Å; A293-L296 PolarHBondContact O-N 2.87Å; A293-A297 VanDerWaalsContact O-CB 3.24Å; A293-A297 WeakPolarHBondContact O-CB 3.26Å; A293-A297 PolarHBondContact O-N 2.95Å
294M95.7Very high97.5Very high49 Ų4930.8 Ų30.824%0.24115%0.154CC..Hα-helixtrans-65.8-39.3177.1-164.759.7151.600112.7R22 I292 E298 P317 L318R22-M294 HydrophobicContact CB-SD 4.44Å; R22-M294 HydrophobicContact CG-SD 4.22Å; R22-M294 PolarHBondContact NH1-SD 3.13Å; I292-M294 PolarHBondContact O-N 2.95Å; M294-E298 VanDerWaalsContact O-CB 3.26Å; M294-E298 WeakPolarHBondContact O-CB 3.28Å; M294-E298 PolarHBondContact O-N 3.14Å; M294-P317 HydrophobicContact CB-CG 4.38Å; M294-P317 HydrophobicContact CG-CB 4.15Å; M294-P317 HydrophobicContact CG-CG 3.83Å; M294-L318 WeakPolarHBondContact CE-O 2.89Å
295I97Very high97.4Very high8 Ų833.9 Ų33.94%0.04117%0.171CC..Hα-helixtrans-65.8-44.2178-62.9170.1000109.9M127 L145 A150 I292 A299 P317M127-I295 HydrophobicContact CE-CB 4.3Å; M127-I295 HydrophobicContact CE-CG2 3.91Å; L145-I295 HydrophobicContact CB-CG2 4.48Å; L145-I295 HydrophobicContact CD1-CG2 3.94Å; A150-I295 HydrophobicContact CB-CD1 4.24Å; I292-I295 HydrophobicContact CB-CD1 4.44Å; I292-I295 HydrophobicContact CG2-CD1 4.17Å; I292-I295 PolarHBondContact O-N 3.45Å; I292-I295 VanDerWaalsContact O-N 3.09Å; I295-A299 WeakPolarHBondContact O-CB 3.36Å; I295-A299 PolarHBondContact O-N 3.26Å; I295-P317 HydrophobicContact CG1-CG 4.11Å
296L97.7Very high97.3Very high1 Ų131.6 Ų31.61%0.00517%0.169CC..Hα-helixtrans-66.7-45.4177.3-68178.1000112.4L15 V19 V88 P90 I125 M127 L145 I292 A293 E298 A299 I300L15-L296 HydrophobicContact CD1-CD1 4.16Å; L15-L296 HydrophobicContact CD2-CD1 3.87Å; L15-L296 HydrophobicContact CG-CD1 4.23Å; V19-L296 HydrophobicContact CG2-CB 3.92Å; V19-L296 HydrophobicContact CG2-CD1 4.36Å; V88-L296 HydrophobicContact CG1-CD2 4.15Å; P90-L296 HydrophobicContact CB-CD1 4.44Å; P90-L296 HydrophobicContact CG-CD1 3.91Å; I125-L296 HydrophobicContact CG2-CD2 4.41Å; M127-L296 HydrophobicContact CE-CD2 4.42Å; L145-L296 HydrophobicContact CD1-CD2 3.84Å; I292-L296 HydrophobicContact CD1-CD1 3.55Å; I292-L296 HydrophobicContact CD1-CG 4.06Å; I292-L296 PolarHBondContact O-N 3.26Å; I292-L296 VanDerWaalsContact O-N 3.08Å; A293-L296 PolarHBondContact O-N 2.87Å; L296-E298 PolarHBondContact O-N 2.91Å; L296-A299 PolarHBondContact O-N 3.18Å; L296-I300 VanDerWaalsContact O-CG1 3.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.1Å; L296-I300 PolarHBondContact O-N 3.06Å
297A97.9Very high97.1Very high4 Ų432.7 Ų32.73%0.03318%0.175CC..Hα-helixtrans-59.1-46.8177.100000111.1V19 R22 L23 A293 A299 I300 R301V19-A297 HydrophobicContact CG1-CB 4.2Å; R22-A297 HydrophobicContact CB-CB 3.78Å; L23-A297 HydrophobicContact CD2-CB 4.27Å; L23-A297 WeakPolarHBondContact CD2-O 3.48Å; L23-A297 HydrophobicContact CG-CB 4.07Å; A293-A297 VanDerWaalsContact O-CB 3.24Å; A293-A297 WeakPolarHBondContact O-CB 3.26Å; A293-A297 PolarHBondContact O-N 2.95Å; A297-A299 VanDerWaalsContact C-N 3.34Å; A297-A299 PolarHBondContact O-N 3.19Å; A297-I300 PolarHBondContact O-N 3.32Å; A297-R301 WeakPolarHBondContact O-CB 3.38Å; A297-R301 PolarHBondContact O-N 3.16Å
298E97.6Very high96.9Very high32 Ų3235.7 Ų35.715%0.1520%0.197CC..Hα-helixtrans-67.7-34.1179.4-175.659.3-170.700112.2M294 L296 R301 R302 L312 P317M294-E298 VanDerWaalsContact O-CB 3.26Å; M294-E298 WeakPolarHBondContact O-CB 3.28Å; M294-E298 PolarHBondContact O-N 3.14Å; L296-E298 PolarHBondContact O-N 2.91Å; E298-R301 PolarHBondContact O-N 3.36Å; E298-R301 IonicContact OE1-CZ 3.37Å; E298-R301 IonicContact OE1-NE 2.85Å; E298-R301 IonicContact OE1-NH2 2.8Å; E298-R301 PolarHBondContact OE1-NH2 3.44Å; E298-R301 IonicContact OE2-CZ 2.71Å; E298-R301 IonicContact OE2-NE 3.17Å; E298-R301 PolarHBondContact OE2-NE 3.03Å; E298-R301 IonicContact OE2-NH2 3.32Å; E298-R302 WeakPolarHBondContact O-CB 3.38Å; E298-R302 WeakPolarHBondContact O-CG 3.48Å; E298-R302 PolarHBondContact O-N 2.92Å; E298-R302 IonicContact OE1-CZ 3.71Å; E298-R302 IonicContact OE1-NE 3.56Å; E298-R302 PolarHBondContact OE1-NE 3.33Å; E298-R302 IonicContact OE1-NH2 3.72Å; E298-R302 PolarHBondContact OE1-NH2 3.19Å; E298-L312 HydrophobicContact CB-CD1 4.2Å; E298-L312 HydrophobicContact CB-CD2 4.21Å; E298-L312 HydrophobicContact CG-CD1 4.1Å; E298-L312 HydrophobicContact CG-CD2 3.72Å; E298-L312 HydrophobicContact CG-CG 4.38Å; E298-P317 HydrophobicContact CB-CB 4.26Å; E298-P317 HydrophobicContact CB-CG 4.29Å; E298-P317 HydrophobicContact CG-CB 4.14Å
299A97.8Very high96.7Very high0 Ų032.6 Ų32.60%018%0.183CC..Hα-helixtrans-64.3-44.4172.900000111.9I125 L145 I295 L296 A297 R302 T303 V309 L312I125-A299 HydrophobicContact CG2-CB 4.31Å; L145-A299 HydrophobicContact CD1-CB 3.67Å; L145-A299 HydrophobicContact CD2-CB 4.01Å; L145-A299 HydrophobicContact CG-CB 4.47Å; I295-A299 WeakPolarHBondContact O-CB 3.36Å; I295-A299 PolarHBondContact O-N 3.26Å; L296-A299 PolarHBondContact O-N 3.18Å; A297-A299 VanDerWaalsContact C-N 3.34Å; A297-A299 PolarHBondContact O-N 3.19Å; A299-R302 PolarHBondContact O-N 2.94Å; A299-T303 VanDerWaalsContact O-CB 3.32Å; A299-T303 WeakPolarHBondContact O-CB 2.88Å; A299-T303 PolarHBondContact O-N 3.35Å; A299-T303 PolarHBondContact O-OG1 3.22Å; A299-V309 HydrophobicContact CB-CG1 4.41Å; A299-L312 HydrophobicContact CB-CD1 3.87Å
300I98.1Very high96.2Very high0 Ų033 Ų330%019%0.191CC..Hα-helixtrans-61.1-49.1175-70.1167.1000110.4I4 L6 V19 L23 Y54 V88 I125 L296 A297 R302 T303 H304I4-I300 HydrophobicContact CD1-CG2 3.43Å; I4-I300 VanDerWaalsContact CD1-CG2 3.43Å; L6-I300 HydrophobicContact CD1-CD1 4.15Å; V19-I300 HydrophobicContact CG1-CD1 3.65Å; L23-I300 HydrophobicContact CD1-CB 4.29Å; L23-I300 HydrophobicContact CD1-CD1 4.44Å; L23-I300 HydrophobicContact CD1-CG2 3.78Å; Y54-I300 HydrophobicContact CD1-CB 4.27Å; Y54-I300 HydrophobicContact CD1-CD1 4.43Å; Y54-I300 HydrophobicContact CD1-CG1 3.8Å; Y54-I300 HydrophobicContact CD1-CG2 3.77Å; Y54-I300 HydrophobicContact CD2-CG2 4.02Å; Y54-I300 HydrophobicContact CE1-CB 4.25Å; Y54-I300 HydrophobicContact CE1-CG1 4.17Å; Y54-I300 HydrophobicContact CE1-CG2 3.78Å; Y54-I300 HydrophobicContact CE2-CG2 4.05Å; Y54-I300 HydrophobicContact CG-CG1 4.44Å; Y54-I300 HydrophobicContact CG-CG2 3.91Å; V88-I300 HydrophobicContact CG2-CD1 4.08Å; V88-I300 HydrophobicContact CG2-CG1 4.19Å; I125-I300 HydrophobicContact CD1-CG1 4.09Å; L296-I300 VanDerWaalsContact O-CG1 3.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.1Å; L296-I300 PolarHBondContact O-N 3.06Å; A297-I300 PolarHBondContact O-N 3.32Å; I300-R302 VanDerWaalsContact C-N 3.33Å; I300-R302 PolarHBondContact O-N 3.41Å; I300-T303 PolarHBondContact O-N 2.99Å; I300-H304 WeakPolarHBondContact O-CB 3.39Å; I300-H304 PolarHBondContact O-N 3.37Å
301R97.6Very high95.7Very high77 Ų7737.2 Ų37.229%0.29121%0.207SC..Hα-helixtrans-56.9-45.9178.7-166.7-166.668.669.16.1111.7L23 A297 E298 H304 N305 E307L23-R301 HydrophobicContact CD2-CB 3.97Å; A297-R301 WeakPolarHBondContact O-CB 3.38Å; A297-R301 PolarHBondContact O-N 3.16Å; E298-R301 PolarHBondContact O-N 3.36Å; E298-R301 IonicContact OE1-CZ 3.37Å; E298-R301 IonicContact OE1-NE 2.85Å; E298-R301 IonicContact OE1-NH2 2.8Å; E298-R301 PolarHBondContact OE1-NH2 3.44Å; E298-R301 IonicContact OE2-CZ 2.71Å; E298-R301 IonicContact OE2-NE 3.17Å; E298-R301 PolarHBondContact OE2-NE 3.03Å; E298-R301 IonicContact OE2-NH2 3.32Å; R301-H304 PolarHBondContact O-N 3.17Å; R301-N305 PolarHBondContact NH1-ND2 3.42Å; R301-N305 VanDerWaalsContact NH1-ND2 3.14Å; R301-N305 WeakPolarHBondContact O-CB 3.39Å; R301-N305 PolarHBondContact O-N 2.99Å; R301-N305 PolarHBondContact O-ND2 2.79Å; R301-E307 IonicContact CZ-OE1 3.34Å; R301-E307 IonicContact CZ-OE2 2.84Å; R301-E307 VanDerWaalsContact NH1-CD 3.32Å; R301-E307 IonicContact NH1-OE1 3.3Å; R301-E307 PolarHBondContact NH1-OE1 3.19Å; R301-E307 IonicContact NH1-OE2 3.02Å; R301-E307 PolarHBondContact NH1-OE2 3.35Å; R301-E307 VanDerWaalsContact NH1-OE2 3.17Å; R301-E307 IonicContact NH2-OE1 2.86Å; R301-E307 IonicContact NH2-OE2 2.82Å; R301-E307 PolarHBondContact NH2-OE2 3.26Å
302R97.2Very high95.3Very high38 Ų3834.5 Ų34.514%0.14319%0.192CC..Hα-helixtrans-67.1-41.7178.8-72.4172.4178.3-85.6-16.7112.3E298 A299 I300 H304 N305 G306 E307 S308 V309E298-R302 WeakPolarHBondContact O-CB 3.38Å; E298-R302 WeakPolarHBondContact O-CG 3.48Å; E298-R302 PolarHBondContact O-N 2.92Å; E298-R302 IonicContact OE1-CZ 3.71Å; E298-R302 IonicContact OE1-NE 3.56Å; E298-R302 PolarHBondContact OE1-NE 3.33Å; E298-R302 IonicContact OE1-NH2 3.72Å; E298-R302 PolarHBondContact OE1-NH2 3.19Å; A299-R302 PolarHBondContact O-N 2.94Å; I300-R302 VanDerWaalsContact C-N 3.33Å; I300-R302 PolarHBondContact O-N 3.41Å; R302-H304 VanDerWaalsContact C-N 3.29Å; R302-H304 PolarHBondContact O-N 3.46Å; R302-N305 PolarHBondContact O-N 2.79Å; R302-G306 PolarHBondContact O-N 3.44Å; R302-E307 HydrophobicContact CB-CB 3.96Å; R302-E307 HydrophobicContact CG-CB 3.9Å; R302-E307 PolarHBondContact O-N 3.45Å; R302-S308 WeakPolarHBondContact CD-O 3.26Å; R302-S308 PolarHBondContact NH1-O 2.94Å; R302-V309 HydrophobicContact CB-CG2 3.86Å
303T97.3Very high94.8Very high14 Ų1437.3 Ų37.39%0.08620%0.204CC..Hα-helixtrans-61-39.6176.1-600000111.8Y54 R84 H123 A299 I300Y54-T303 HydrophobicContact CE1-CG2 4.19Å; R84-T303 PolarHBondContact NH2-O 3Å; R84-T303 VanDerWaalsContact NH2-O 3.08Å; H123-T303 WeakPolarHBondContact ND1-CG2 3.34Å; A299-T303 VanDerWaalsContact O-CB 3.32Å; A299-T303 WeakPolarHBondContact O-CB 2.88Å; A299-T303 PolarHBondContact O-N 3.35Å; A299-T303 PolarHBondContact O-OG1 3.22Å; I300-T303 PolarHBondContact O-N 2.99Å
304H97Very high94.1Very high37 Ų3740.1 Ų40.117%0.17122%0.224CC..Hα-helixtrans-66.9-46.2176.6-174.168.7000112P2 D52 Y54 I300 R301 R302 G306P2-H304 PolarHBondContact O-CE1 3.01Å; P2-H304 PolarHBondContact O-NE2 2.75Å; D52-H304 IonicContact OD2-CE1 2.75Å; D52-H304 IonicContact OD2-CG 3.54Å; D52-H304 IonicContact OD2-ND1 3.59Å; D52-H304 PolarHBondContact OD2-ND1 2.76Å; Y54-H304 PolarHBondContact OH-N 3.43Å; I300-H304 WeakPolarHBondContact O-CB 3.39Å; I300-H304 PolarHBondContact O-N 3.37Å; R301-H304 PolarHBondContact O-N 3.17Å; R302-H304 VanDerWaalsContact C-N 3.29Å; R302-H304 PolarHBondContact O-N 3.46Å; H304-G306 VanDerWaalsContact C-N 3.34Å; H304-G306 PolarHBondContact O-N 3.4Å
305N96.1Very high93.4Very high65 Ų6542.3 Ų42.335%0.34823%0.233SC..Hα-helixtrans-82.6-5.8-176-67.4-18.2000114.5R301 R302 E307R301-N305 PolarHBondContact NH1-ND2 3.42Å; R301-N305 VanDerWaalsContact NH1-ND2 3.14Å; R301-N305 WeakPolarHBondContact O-CB 3.39Å; R301-N305 PolarHBondContact O-N 2.99Å; R301-N305 PolarHBondContact O-ND2 2.79Å; R302-N305 PolarHBondContact O-N 2.79Å; N305-E307 VanDerWaalsContact C-N 3.29Å; N305-E307 HydrophobicContact CB-CG 3.86Å; N305-E307 WeakPolarHBondContact CB-OE1 3.08Å; N305-E307 PolarHBondContact ND2-OE1 3.01Å
306G93.7Very high92.5Very high72 Ų7244.1 Ų44.174%0.74225%0.245SC*.THydrogen-bonded Turntrans69.726.3-173.100000113.4R302 H304R302-G306 PolarHBondContact O-N 3.44Å; H304-G306 VanDerWaalsContact C-N 3.34Å; H304-G306 PolarHBondContact O-N 3.4Å
307E95.1Very high91.6Very high74 Ų7444.8 Ų44.835%0.34625%0.249SC..  trans-87.4160.1177.1-65.2171.8-143.700111.4R301 R302 N305 V309R301-E307 IonicContact CZ-OE1 3.34Å; R301-E307 IonicContact CZ-OE2 2.84Å; R301-E307 VanDerWaalsContact NH1-CD 3.32Å; R301-E307 IonicContact NH1-OE1 3.3Å; R301-E307 PolarHBondContact NH1-OE1 3.19Å; R301-E307 IonicContact NH1-OE2 3.02Å; R301-E307 PolarHBondContact NH1-OE2 3.35Å; R301-E307 VanDerWaalsContact NH1-OE2 3.17Å; R301-E307 IonicContact NH2-OE1 2.86Å; R301-E307 IonicContact NH2-OE2 2.82Å; R301-E307 PolarHBondContact NH2-OE2 3.26Å; R302-E307 HydrophobicContact CB-CB 3.96Å; R302-E307 HydrophobicContact CG-CB 3.9Å; R302-E307 PolarHBondContact O-N 3.45Å; N305-E307 VanDerWaalsContact C-N 3.29Å; N305-E307 HydrophobicContact CB-CG 3.86Å; N305-E307 WeakPolarHBondContact CB-OE1 3.08Å; N305-E307 PolarHBondContact ND2-OE1 3.01Å; E307-V309 PolarHBondContact O-N 2.99Å
308S93Very high90Very high68 Ų6854.9 Ų54.948%0.47630%0.302SS..  trans-68.4113.8-179.8170.50000112.1R302 S310R302-S308 WeakPolarHBondContact CD-O 3.26Å; R302-S308 PolarHBondContact NH1-O 2.94Å; S308-S310 VanDerWaalsContact C-N 3.34Å; S308-S310 PolarHBondContact OG-OG 3.45Å
309V93.9Very high89.6Confident12 Ų1256.1 Ų56.17%0.07331%0.309CS..G310 helixtrans-72.9-26173.2178.80000112D143 L145 A299 R302 E307 Y311 L312 F313D143-V309 HydrophobicContact CB-CG1 4.38Å; L145-V309 HydrophobicContact CD2-CG1 3.76Å; A299-V309 HydrophobicContact CB-CG1 4.41Å; R302-V309 HydrophobicContact CB-CG2 3.86Å; E307-V309 PolarHBondContact O-N 2.99Å; V309-Y311 PolarHBondContact O-N 3.39Å; V309-L312 HydrophobicContact CG1-CD1 4.42Å; V309-L312 WeakPolarHBondContact O-CB 3.31Å; V309-L312 PolarHBondContact O-N 2.71Å; V309-F313 HydrophobicContact CG1-CE1 4.43Å
310S88.4Confident89.2Confident65 Ų6559 Ų5946%0.45533%0.325SS..G310 helixtrans-61.5-17.9-176.259.90000114.8S308 L312 F313S308-S310 VanDerWaalsContact C-N 3.34Å; S308-S310 PolarHBondContact OG-OG 3.45Å; S310-L312 PolarHBondContact O-N 3.49Å; S310-F313 WeakPolarHBondContact O-CB 3.45Å; S310-F313 PolarHBondContact O-N 3.45Å
311Y87.4Confident88.7Confident105 Ų10562.3 Ų62.341%0.41234%0.343SS..G310 helixtrans-53.3-40.1170176.7-101.8000111.9V309 F313 S314 H315V309-Y311 PolarHBondContact O-N 3.39Å; Y311-F313 PolarHBondContact O-N 3.44Å; Y311-S314 PolarHBondContact O-N 3.49Å; Y311-S314 PolarHBondContact O-OG 3.29Å; Y311-H315 HydrophobicContact CD1-CB 4.43Å; Y311-H315 HydrophobicContact CE1-CB 3.86Å; Y311-H315 HydrophobicContact CE2-CB 3.99Å; Y311-H315 AromaticContact CE2-CG 3.77Å; Y311-H315 AromaticContact CE2-ND1 3.9Å; Y311-H315 AromaticContact CZ-CG 3.87Å; Y311-H315 PolarHBondContact O-N 2.7Å
312L89.1Confident88.2Confident4 Ų461.4 Ų61.42%0.02135%0.347CS..G310 helixtrans-69.8-14.6-177.5-60.3176.5000113.8E298 A299 V309 S310 S314 P317E298-L312 HydrophobicContact CB-CD1 4.2Å; E298-L312 HydrophobicContact CB-CD2 4.21Å; E298-L312 HydrophobicContact CG-CD1 4.1Å; E298-L312 HydrophobicContact CG-CD2 3.72Å; E298-L312 HydrophobicContact CG-CG 4.38Å; A299-L312 HydrophobicContact CB-CD1 3.87Å; V309-L312 HydrophobicContact CG1-CD1 4.42Å; V309-L312 WeakPolarHBondContact O-CB 3.31Å; V309-L312 PolarHBondContact O-N 2.71Å; S310-L312 PolarHBondContact O-N 3.49Å; L312-S314 PolarHBondContact O-N 3.29Å; L312-P317 HydrophobicContact CD2-CB 4.09Å; L312-P317 HydrophobicContact CD2-CG 3.84Å
313F86.1Confident87.6Confident59 Ų5962.9 Ų62.926%0.25936%0.359SS..G310 helixtrans-74.5-13.5179.4-57.4-16.6000112.9N144 L145 Y146 V309 S310 Y311N144-F313 WeakPolarHBondContact O-CE1 3.47Å; L145-F313 HydrophobicContact CD2-CE1 3.95Å; Y146-F313 HydrophobicContact CD2-CB 3.97Å; Y146-F313 AromaticContact CD2-CD1 3.73Å; Y146-F313 HydrophobicContact CD2-CD1 3.73Å; Y146-F313 HydrophobicContact CD2-CE1 4.37Å; Y146-F313 AromaticContact CD2-CG 3.87Å; Y146-F313 HydrophobicContact CD2-CG 3.87Å; Y146-F313 HydrophobicContact CE2-CB 4.36Å; Y146-F313 HydrophobicContact CE2-CD1 4.05Å; Y146-F313 HydrophobicContact CE2-CD2 4.28Å; Y146-F313 HydrophobicContact CE2-CE1 4.4Å; Y146-F313 AromaticContact CE2-CG 3.99Å; Y146-F313 HydrophobicContact CE2-CG 3.99Å; V309-F313 HydrophobicContact CG1-CE1 4.43Å; S310-F313 WeakPolarHBondContact O-CB 3.45Å; S310-F313 PolarHBondContact O-N 3.45Å; Y311-F313 PolarHBondContact O-N 3.44Å
314S82.3Confident86.9Confident59 Ų5966.1 Ų66.141%0.41338%0.378SS..THydrogen-bonded Turntrans-130.7-16.4-177.3500000114.1Y311 L312Y311-S314 PolarHBondContact O-N 3.49Å; Y311-S314 PolarHBondContact O-OG 3.29Å; L312-S314 PolarHBondContact O-N 3.29Å
315H82.1Confident86.2Confident94 Ų9468.2 Ų68.244%0.43539%0.392SS..  trans-128.2133.8-176-60.977.4000110.4Y311Y311-H315 HydrophobicContact CD1-CB 4.43Å; Y311-H315 HydrophobicContact CE1-CB 3.86Å; Y311-H315 HydrophobicContact CE2-CB 3.99Å; Y311-H315 AromaticContact CE2-CG 3.77Å; Y311-H315 AromaticContact CE2-ND1 3.9Å; Y311-H315 AromaticContact CZ-CG 3.87Å; Y311-H315 PolarHBondContact O-N 2.7Å
316V77.9Confident85.5Confident46 Ų4668.5 Ų68.528%0.27940%0.396SS..  trans-75.7125167.9-175.30000107.4P149 A150P149-V316 HydrophobicContact CB-CG2 3.55Å; P149-V316 WeakPolarHBondContact O-CG2 3.4Å; A150-V316 HydrophobicContact CB-CG2 4.27Å
317P77.8Confident84.8Confident16 Ų1668.2 Ų68.210%0.10437%0.367CS..  trans-64.1137.6173.826.1-31.4000110.1M294 I295 E298 L312M294-P317 HydrophobicContact CB-CG 4.38Å; M294-P317 HydrophobicContact CG-CB 4.15Å; M294-P317 HydrophobicContact CG-CG 3.83Å; I295-P317 HydrophobicContact CG1-CG 4.11Å; E298-P317 HydrophobicContact CB-CB 4.26Å; E298-P317 HydrophobicContact CB-CG 4.29Å; E298-P317 HydrophobicContact CG-CB 4.14Å; L312-P317 HydrophobicContact CD2-CB 4.09Å; L312-P317 HydrophobicContact CD2-CG 3.84Å
318L64.3Low83.9Confident216 Ų21667.6 Ų67.6100%1.13137%0.369SS*.  trans-72.70176.2-70.2170.5000111.1M294M294-L318 WeakPolarHBondContact CE-O 2.89Å

Retrieved 318 of 318 residues in 1013.5 ms (Link to these results)

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