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Urease accessory protein UreG

Facilitates the functional incorporation of the urease nickel metallocenter. This process requires GTP hydrolysis, probably effectuated by UreG.

AlphaFold DB (Q2G273), UniProt , Accession Q99RX9, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene ureG, Length 204 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
1M54.1Low90.6Very high179 Ų17945.7 Ų45.788%0.88226%0.26SS*.  0154.20-95.7123.1178.300109.3D93M1-D93 HydrophobicContact CE-CB 3.5Å; M1-D93 VanDerWaalsContact CE-CB 3.5Å; M1-D93 VanDerWaalsContact CE-CG 3.41Å; M1-D93 WeakPolarHBondContact CE-OD2 3.44Å; M1-D93 HydrophobicContact SD-CB 4.1Å
2A72.4Confident91Very high93 Ų9343.8 Ų43.877%0.76925%0.25SS*.PPolyproline II helixtrans-69.1138.5165.100000108.3
3N89Confident91.2Very high143 Ų14349.5 Ų49.577%0.76529%0.286SS*.PPolyproline II helixtrans-71135172.8-73.3-12.4000108.6
4P96.5Very high91.4Very high9 Ų949.2 Ų49.26%0.05830%0.299CS..PPolyproline II helixtrans-64.4148.6177.430-38.3000110.8K6 L89 I95 E96 I98P4-K6 PolarHBondContact O-NZ 2.84Å; P4-L89 HydrophobicContact CG-CD1 4.27Å; P4-L89 HydrophobicContact CG-CD2 4.1Å; P4-I95 HydrophobicContact CB-CG2 4.17Å; P4-E96 VanDerWaalsContact CA-O 3.25Å; P4-E96 WeakPolarHBondContact CA-O 3.19Å; P4-E96 WeakPolarHBondContact CB-O 3.38Å; P4-I98 HydrophobicContact CB-CD1 4.22Å; P4-I98 HydrophobicContact CB-CG1 4.13Å; P4-I98 HydrophobicContact CG-CD1 3.67Å; P4-I98 HydrophobicContact CG-CG1 4.14Å
5I97.7Very high91.8Very high45 Ų4545.9 Ų45.923%0.23128%0.279CS..EExtended strand (participates in β ladder)trans-69.5136.1167.3-64.7165000107.6I7 E96 L97 I98 F118 T198 L199I5-I7 HydrophobicContact CG2-CG1 4.17Å; I5-E96 PolarHBondContact N-O 3.39Å; I5-L97 HydrophobicContact CB-CD1 4.11Å; I5-L97 HydrophobicContact CG2-CD1 4.06Å; I5-L97 CarbonylContact O-C 3.35Å; I5-L97 WeakPolarHBondContact O-CA 3.4Å; I5-L97 WeakPolarHBondContact O-CD1 3.26Å; I5-I98 PolarHBondContact O-N 3.4Å; I5-F118 HydrophobicContact CG2-CD2 3.96Å; I5-F118 HydrophobicContact CG2-CE2 4.16Å; I5-T198 WeakPolarHBondContact CD1-O 3.45Å; I5-L199 HydrophobicContact CD1-CD2 3.66Å
6K98.5Very high92.1Very high31 Ų3143.9 Ų43.914%0.13527%0.27CS..EExtended strand (participates in β ladder)trans-115.8119.7-179.3-68.5164.1-58-46.20109.1P4 I85 I98 L115 D117 F118P4-K6 PolarHBondContact O-NZ 2.84Å; K6-I85 HydrophobicContact CD-CD1 4.01Å; K6-I98 CarbonylContact C-O 3.59Å; K6-I98 WeakPolarHBondContact CA-O 3.38Å; K6-I98 HydrophobicContact CG-CB 4.21Å; K6-L115 WeakPolarHBondContact CD-O 3.42Å; K6-L115 WeakPolarHBondContact CE-O 3.29Å; K6-D117 PolarHBondContact N-OD2 2.8Å; K6-D117 IonicContact NZ-OD1 2.73Å; K6-D117 PolarHBondContact NZ-OD1 2.86Å; K6-D117 IonicContact NZ-OD2 3Å; K6-D117 PolarHBondContact NZ-OD2 2.78Å; K6-D117 PolarHBondContact O-N 3.17Å; K6-F118 PolarHBondContact O-N 3.07Å; K6-F118 VanDerWaalsContact O-N 3.17Å
7I98.7Very high92.5Very high0 Ų041.8 Ų41.80%026%0.257CS..EExtended strand (participates in β ladder)trans-113115.1178.4-55.9-177.9000109.3I5 I9 L97 I98 F99 I100 F118 I120 I194 T198I5-I7 HydrophobicContact CG2-CG1 4.17Å; I7-I9 HydrophobicContact CG2-CD1 3.94Å; I7-L97 HydrophobicContact CD1-CD1 3.74Å; I7-L97 HydrophobicContact CG1-CD1 3.83Å; I7-I98 PolarHBondContact N-O 2.92Å; I7-F99 HydrophobicContact CB-CD1 3.92Å; I7-F99 HydrophobicContact CB-CE1 3.95Å; I7-F99 HydrophobicContact CD1-CE1 4.08Å; I7-F99 HydrophobicContact CG2-CD1 4.22Å; I7-F99 HydrophobicContact CG2-CE1 4.11Å; I7-F99 WeakPolarHBondContact O-CA 3.12Å; I7-I100 PolarHBondContact O-N 2.82Å; I7-F118 CarbonylContact C-O 3.53Å; I7-F118 WeakPolarHBondContact CA-O 3.3Å; I7-F118 HydrophobicContact CG1-CB 4.37Å; I7-I120 HydrophobicContact CG2-CD1 4.29Å; I7-I120 HydrophobicContact CG2-CG1 4.03Å; I7-I194 HydrophobicContact CD1-CG1 4.33Å; I7-I194 HydrophobicContact CD1-CG2 4.02Å; I7-T198 HydrophobicContact CD1-CG2 4.06Å
8G98.4Very high92.8Very high0 Ų040.4 Ų40.40%025%0.248CC..EExtended strand (participates in β ladder)trans-78.6130.4173.800000111.9I100 F118 S119 I120G8-I100 CarbonylContact C-O 3.57Å; G8-I100 WeakPolarHBondContact CA-O 3.41Å; G8-F118 PolarHBondContact N-O 2.97Å; G8-S119 CarbonylContact O-C 3.59Å; G8-S119 VanDerWaalsContact O-CA 3.31Å; G8-S119 WeakPolarHBondContact O-CA 3.01Å; G8-I120 PolarHBondContact O-N 2.6Å
9I98.4Very high93.1Very high2 Ų241.6 Ų41.61%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-110.6103.3174.2-50.6-59.2000108.8I7 K17 L20 I21 F99 I100 S102 I120 I122I7-I9 HydrophobicContact CG2-CD1 3.94Å; I9-K17 HydrophobicContact CG2-CB 3.96Å; I9-K17 HydrophobicContact CG2-CG 4.22Å; I9-L20 HydrophobicContact CG2-CD2 4.44Å; I9-I21 HydrophobicContact CB-CD1 4.09Å; I9-I21 HydrophobicContact CB-CG1 4.33Å; I9-I21 HydrophobicContact CG1-CD1 3.91Å; I9-I21 HydrophobicContact CG1-CG1 3.77Å; I9-I21 HydrophobicContact CG2-CD1 4.45Å; I9-I21 HydrophobicContact CG2-CG1 4.43Å; I9-F99 HydrophobicContact CD1-CD1 4.01Å; I9-F99 HydrophobicContact CD1-CE1 4.34Å; I9-F99 HydrophobicContact CG1-CD1 4.03Å; I9-I100 PolarHBondContact N-O 3.17Å; I9-S102 PolarHBondContact O-N 3.41Å; I9-I120 WeakPolarHBondContact CA-O 3.21Å; I9-I120 HydrophobicContact CD1-CB 3.75Å; I9-I120 HydrophobicContact CD1-CD1 3.85Å; I9-I120 HydrophobicContact CD1-CG1 3.91Å; I9-I122 HydrophobicContact CG2-CG2 4.49Å
10G97.2Very high93.4Very high1 Ų139.7 Ų39.71%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-108.4151.8-176.500000112.7S102 I120 Y121 I122G10-S102 WeakPolarHBondContact CA-OG 3.43Å; G10-I120 PolarHBondContact N-O 3.14Å; G10-Y121 CarbonylContact O-C 3.55Å; G10-Y121 VanDerWaalsContact O-CA 3.31Å; G10-Y121 WeakPolarHBondContact O-CA 3.42Å; G10-I122 WeakPolarHBondContact O-CG2 3.46Å; G10-I122 PolarHBondContact O-N 2.81Å
11G96.3Very high93.6Very high0 Ų037.8 Ų37.80%023%0.228CC..  trans160.6173.7175.600000113.7D105 I122G11-D105 PolarHBondContact O-N 3.43Å; G11-I122 VanDerWaalsContact CA-O 3.28Å; G11-I122 WeakPolarHBondContact CA-O 3.39Å
12P94.8Very high95.7Very high22 Ų2231.5 Ų31.514%0.14320%0.196CC..  trans-73162.4178.3-9.724.1000114.3G14 A15 D105 I122 Q127P12-G14 PolarHBondContact O-N 3.01Å; P12-A15 VanDerWaalsContact O-CB 3.25Å; P12-A15 WeakPolarHBondContact O-CB 3.33Å; P12-A15 PolarHBondContact O-N 2.8Å; P12-A15 VanDerWaalsContact O-N 3.09Å; P12-D105 WeakPolarHBondContact CA-O 3.38Å; P12-D105 WeakPolarHBondContact CB-O 3.29Å; P12-D105 WeakPolarHBondContact CG-O 3.37Å; P12-I122 VanDerWaalsContact CD-O 3.22Å; P12-I122 WeakPolarHBondContact CD-O 3.44Å; P12-Q127 VanDerWaalsContact CB-NE2 3.35Å
13V93.7Very high97Very high118 Ų11828.7 Ų28.772%0.71517%0.166SC*.THydrogen-bonded Turntrans-50.7132.7172.7-179.80000109.3A15V13-A15 PolarHBondContact O-N 3.36Å
14G94.7Very high97.4Very high46 Ų4622 Ų2247%0.47413%0.131SC..THydrogen-bonded Turntrans76.5-4177.200000115.4P12 G16 K149P12-G14 PolarHBondContact O-N 3.01Å; G14-G16 PolarHBondContact O-N 3.34Å; G14-K149 WeakPolarHBondContact O-CE 3.17Å; G14-K149 PolarHBondContact O-NZ 2.96Å
15A96.7Very high97.5Very high0 Ų021.6 Ų21.60%013%0.128CC..SBendtrans-61.4-19.9-179.300000113.9P12 V13 I122 N148P12-A15 VanDerWaalsContact O-CB 3.25Å; P12-A15 WeakPolarHBondContact O-CB 3.33Å; P12-A15 PolarHBondContact O-N 2.8Å; P12-A15 VanDerWaalsContact O-N 3.09Å; V13-A15 PolarHBondContact O-N 3.36Å; A15-I122 HydrophobicContact CB-CG1 4.35Å; A15-I122 HydrophobicContact CB-CG2 4.32Å; A15-N148 PolarHBondContact O-ND2 3.26Å
16G97.4Very high97.5Very high13 Ų1325.2 Ų25.213%0.13414%0.142CC..SBendtrans104.125.5179.700000114.1G14 Q19 L20G14-G16 PolarHBondContact O-N 3.34Å; G16-Q19 PolarHBondContact O-N 3.08Å; G16-L20 WeakPolarHBondContact O-CB 3.21Å; G16-L20 PolarHBondContact O-N 3.41Å
17K98.1Very high97.4Very high9 Ų930.1 Ų30.14%0.03916%0.16CC..Hα-helixtrans-55.9-59177.1-61.6-175.5-32.7-41.30112.4I9 Q19 L20 I21 E101 S102 I122I9-K17 HydrophobicContact CG2-CB 3.96Å; I9-K17 HydrophobicContact CG2-CG 4.22Å; K17-Q19 VanDerWaalsContact C-N 3.27Å; K17-Q19 PolarHBondContact O-N 2.82Å; K17-L20 WeakPolarHBondContact O-CB 3.49Å; K17-L20 PolarHBondContact O-N 3.18Å; K17-I21 PolarHBondContact O-N 3.31Å; K17-E101 HydrophobicContact CB-CG 3.89Å; K17-E101 WeakPolarHBondContact CB-OE1 3.34Å; K17-E101 HydrophobicContact CD-CG 4.4Å; K17-E101 WeakPolarHBondContact CE-OE1 3.25Å; K17-E101 IonicContact NZ-OE1 3.3Å; K17-E101 PolarHBondContact NZ-OE1 2.81Å; K17-S102 WeakPolarHBondContact CE-O 3.22Å; K17-I122 HydrophobicContact CB-CG2 4.31Å; K17-I122 HydrophobicContact CD-CG2 4.44Å; K17-I122 HydrophobicContact CG-CG2 3.43Å; K17-I122 VanDerWaalsContact CG-CG2 3.43Å
18T98.1Very high97.3Very high16 Ų1630.3 Ų30.310%0.09816%0.161CC..Hα-helixtrans-54.3-43.4176.2-240000111.7I21 E22 D46 I49 L50 E101T18-I21 PolarHBondContact O-N 3.41Å; T18-E22 WeakPolarHBondContact O-CB 3.38Å; T18-E22 PolarHBondContact O-N 3.15Å; T18-D46 HydrophobicContact CG2-CB 4.01Å; T18-D46 PolarHBondContact OG1-OD1 3.01Å; T18-I49 HydrophobicContact CG2-CB 4.19Å; T18-I49 HydrophobicContact CG2-CG2 3.93Å; T18-L50 HydrophobicContact CG2-CD1 4.46Å; T18-L50 HydrophobicContact CG2-CD2 4.19Å; T18-L50 HydrophobicContact CG2-CG 3.95Å; T18-E101 WeakPolarHBondContact CA-OE2 3.35Å; T18-E101 PolarHBondContact N-OE1 3.05Å; T18-E101 PolarHBondContact OG1-OE1 2.94Å; T18-E101 VanDerWaalsContact OG1-OE1 3.11Å; T18-E101 PolarHBondContact OG1-OE2 3.09Å
19Q98.3Very high97.3Very high64 Ų6432.3 Ų32.330%0.29917%0.174SC..Hα-helixtrans-66.5-39.1177.5-176.6174.163.400112.2G16 K17 I21 E22 K23 L181G16-Q19 PolarHBondContact O-N 3.08Å; K17-Q19 VanDerWaalsContact C-N 3.27Å; K17-Q19 PolarHBondContact O-N 2.82Å; Q19-I21 VanDerWaalsContact C-N 3.34Å; Q19-E22 PolarHBondContact O-N 2.92Å; Q19-K23 HydrophobicContact CG-CG 4.36Å; Q19-K23 WeakPolarHBondContact O-CB 3.48Å; Q19-K23 WeakPolarHBondContact O-CG 3.44Å; Q19-K23 PolarHBondContact O-N 3.43Å; Q19-L181 HydrophobicContact CB-CD1 4.47Å; Q19-L181 HydrophobicContact CG-CB 3.95Å; Q19-L181 HydrophobicContact CG-CD1 4.29Å; Q19-L181 VanDerWaalsContact OE1-CB 3.28Å
20L98.8Very high97.1Very high2 Ų240 Ų401%0.0121%0.208CC..Hα-helixtrans-61.3-46.7175.3-179.163.6000110.2I9 G16 K17 K23 V24 I120 I122 V146 L181 L187 V190I9-L20 HydrophobicContact CG2-CD2 4.44Å; G16-L20 WeakPolarHBondContact O-CB 3.21Å; G16-L20 PolarHBondContact O-N 3.41Å; K17-L20 WeakPolarHBondContact O-CB 3.49Å; K17-L20 PolarHBondContact O-N 3.18Å; L20-K23 PolarHBondContact O-N 3.24Å; L20-V24 HydrophobicContact CD1-CG2 4.07Å; L20-V24 HydrophobicContact CG-CG2 4.37Å; L20-V24 WeakPolarHBondContact O-CB 3.3Å; L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.46Å; L20-V24 PolarHBondContact O-N 3.32Å; L20-I120 HydrophobicContact CD2-CG2 4.17Å; L20-I122 HydrophobicContact CB-CD1 4.41Å; L20-I122 HydrophobicContact CD2-CD1 4.29Å; L20-V146 HydrophobicContact CD2-CG2 4.49Å; L20-L181 HydrophobicContact CB-CD1 3.77Å; L20-L181 HydrophobicContact CD1-CD1 4.06Å; L20-L181 HydrophobicContact CD1-CD2 3.9Å; L20-L187 HydrophobicContact CD1-CD1 4.28Å; L20-V190 HydrophobicContact CD1-CG1 4.18Å; L20-V190 HydrophobicContact CD1-CG2 4.26Å
21I98.7Very high97Very high1 Ų146.6 Ų46.61%0.00524%0.238CC..Hα-helixtrans-58.4-51.8176.1-67.6169.6000110.1I9 K17 T18 Q19 K23 V24 V25 V36 L50 F99 E101I9-I21 HydrophobicContact CB-CD1 4.09Å; I9-I21 HydrophobicContact CB-CG1 4.33Å; I9-I21 HydrophobicContact CG1-CD1 3.91Å; I9-I21 HydrophobicContact CG1-CG1 3.77Å; I9-I21 HydrophobicContact CG2-CD1 4.45Å; I9-I21 HydrophobicContact CG2-CG1 4.43Å; K17-I21 PolarHBondContact O-N 3.31Å; T18-I21 PolarHBondContact O-N 3.41Å; Q19-I21 VanDerWaalsContact C-N 3.34Å; I21-K23 VanDerWaalsContact C-N 3.29Å; I21-K23 PolarHBondContact O-N 3Å; I21-V24 PolarHBondContact O-N 2.87Å; I21-V25 HydrophobicContact CG2-CG2 3.82Å; I21-V25 WeakPolarHBondContact O-CB 3.37Å; I21-V25 WeakPolarHBondContact O-CG2 3.47Å; I21-V25 PolarHBondContact O-N 2.6Å; I21-V36 HydrophobicContact CG2-CG1 3.93Å; I21-V36 HydrophobicContact CG2-CG2 3.94Å; I21-L50 HydrophobicContact CG2-CD1 4.24Å; I21-L50 HydrophobicContact CG2-CD2 4.12Å; I21-F99 HydrophobicContact CD1-CB 4.47Å; I21-F99 HydrophobicContact CG1-CB 4.45Å; I21-F99 HydrophobicContact CG2-CB 4.41Å; I21-E101 HydrophobicContact CD1-CB 3.58Å; I21-E101 HydrophobicContact CD1-CG 3.81Å
22E98.3Very high97Very high47 Ų4747.8 Ų47.822%0.2224%0.244CC..Hα-helixtrans-50.3-50.6177.9-175.6-161147.700111.5T18 Q19 K26 L50 V55T18-E22 WeakPolarHBondContact O-CB 3.38Å; T18-E22 PolarHBondContact O-N 3.15Å; Q19-E22 PolarHBondContact O-N 2.92Å; E22-K26 VanDerWaalsContact O-CB 3.24Å; E22-K26 WeakPolarHBondContact O-CB 3.34Å; E22-K26 PolarHBondContact O-N 2.99Å; E22-L50 HydrophobicContact CB-CD2 4.02Å; E22-V55 HydrophobicContact CG-CG1 3.77Å
23K98.4Very high97.1Very high34 Ų3447.4 Ų47.415%0.14824%0.242CC..Hα-helixtrans-67.5-44.2-176.1-67.5-68.5-174.4148.40112.8Q19 L20 I21 L181 D184 L187Q19-K23 HydrophobicContact CG-CG 4.36Å; Q19-K23 WeakPolarHBondContact O-CB 3.48Å; Q19-K23 WeakPolarHBondContact O-CG 3.44Å; Q19-K23 PolarHBondContact O-N 3.43Å; L20-K23 PolarHBondContact O-N 3.24Å; I21-K23 VanDerWaalsContact C-N 3.29Å; I21-K23 PolarHBondContact O-N 3Å; K23-L181 VanDerWaalsContact CE-O 3.24Å; K23-L181 WeakPolarHBondContact CE-O 3.34Å; K23-L181 PolarHBondContact NZ-O 2.9Å; K23-D184 WeakPolarHBondContact CD-OD1 3.23Å; K23-D184 WeakPolarHBondContact CE-OD1 3.36Å; K23-D184 IonicContact NZ-OD1 3.71Å; K23-D184 PolarHBondContact NZ-OD1 3.42Å; K23-D184 IonicContact NZ-OD2 3.54Å; K23-L187 HydrophobicContact CB-CD1 3.89Å; K23-L187 HydrophobicContact CB-CD2 3.8Å
24V98.5Very high97.3Very high2 Ų241.9 Ų41.91%0.01221%0.209CC..Hα-helixtrans-66.3-48.2177.5169.50000110.5L20 I21 K26 R27 L28 F99 L187 V190 I191 I194L20-V24 HydrophobicContact CD1-CG2 4.07Å; L20-V24 HydrophobicContact CG-CG2 4.37Å; L20-V24 WeakPolarHBondContact O-CB 3.3Å; L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.46Å; L20-V24 PolarHBondContact O-N 3.32Å; I21-V24 PolarHBondContact O-N 2.87Å; V24-K26 VanDerWaalsContact C-N 3.34Å; V24-K26 PolarHBondContact O-N 3.26Å; V24-R27 PolarHBondContact O-N 3.01Å; V24-L28 HydrophobicContact CG1-CD1 3.62Å; V24-L28 HydrophobicContact CG1-CG 4.18Å; V24-L28 PolarHBondContact O-N 3.47Å; V24-F99 HydrophobicContact CG1-CE1 4.37Å; V24-F99 HydrophobicContact CG1-CE2 4.14Å; V24-F99 HydrophobicContact CG1-CZ 3.58Å; V24-L187 HydrophobicContact CG2-CD1 3.96Å; V24-V190 HydrophobicContact CG2-CG1 4.3Å; V24-I191 HydrophobicContact CG2-CG1 4.4Å; V24-I194 HydrophobicContact CG1-CD1 3.63Å; V24-I194 HydrophobicContact CG2-CD1 4.28Å
25V98.3Very high97.5Very high0 Ų039.7 Ų39.70%019%0.186CC..Hα-helixtrans-61.1-42.5180170.80000110.9I21 R27 L28 S29 I34 V36 V55 L56 F99I21-V25 HydrophobicContact CG2-CG2 3.82Å; I21-V25 WeakPolarHBondContact O-CB 3.37Å; I21-V25 WeakPolarHBondContact O-CG2 3.47Å; I21-V25 PolarHBondContact O-N 2.6Å; V25-R27 PolarHBondContact O-N 3.41Å; V25-R27 VanDerWaalsContact O-N 3.09Å; V25-L28 PolarHBondContact O-N 2.97Å; V25-S29 WeakPolarHBondContact O-CB 3.37Å; V25-S29 PolarHBondContact O-N 2.79Å; V25-S29 PolarHBondContact O-OG 2.96Å; V25-I34 HydrophobicContact CG2-CG2 4.2Å; V25-V36 HydrophobicContact CG2-CG2 4.07Å; V25-V55 HydrophobicContact CB-CG2 4.38Å; V25-V55 HydrophobicContact CG1-CB 4.12Å; V25-V55 HydrophobicContact CG1-CG2 3.9Å; V25-L56 HydrophobicContact CG1-CD1 3.6Å; V25-L56 HydrophobicContact CG1-CD2 3.86Å; V25-L56 HydrophobicContact CG1-CG 3.46Å; V25-L56 VanDerWaalsContact CG1-CG 3.46Å; V25-F99 HydrophobicContact CG2-CD2 3.78Å; V25-F99 HydrophobicContact CG2-CE2 3.87Å
26K97.4Very high97.6Very high122 Ų12239.8 Ų39.853%0.5319%0.187SC..Hα-helixtrans-56.1-27.8175.6-174.7174.2-176.6173.30113.7E22 V24 V55E22-K26 VanDerWaalsContact O-CB 3.24Å; E22-K26 WeakPolarHBondContact O-CB 3.34Å; E22-K26 PolarHBondContact O-N 2.99Å; V24-K26 VanDerWaalsContact C-N 3.34Å; V24-K26 PolarHBondContact O-N 3.26Å; K26-V55 HydrophobicContact CB-CG1 3.9Å; K26-V55 HydrophobicContact CG-CG1 4.39Å
27R96.7Very high97.6Very high134 Ų13439.2 Ų39.251%0.50618%0.18SC..Hα-helixtrans-88.4-54177.8-68-69.5-62-127.9-6.3111.3V24 V25 I191V24-R27 PolarHBondContact O-N 3.01Å; V25-R27 PolarHBondContact O-N 3.41Å; V25-R27 VanDerWaalsContact O-N 3.09Å; R27-I191 HydrophobicContact CB-CD1 3.81Å; R27-I191 HydrophobicContact CG-CD1 3.71Å
28L97.3Very high97.6Very high4 Ų438.9 Ų38.92%0.02118%0.179CC..Hα-helixtrans-75-30-171.5-64.5-177.1000113.8V24 V25 K30 E31 M32 I34 L97 I191 I194 E195V24-L28 HydrophobicContact CG1-CD1 3.62Å; V24-L28 HydrophobicContact CG1-CG 4.18Å; V24-L28 PolarHBondContact O-N 3.47Å; V25-L28 PolarHBondContact O-N 2.97Å; L28-K30 PolarHBondContact O-N 3.19Å; L28-E31 PolarHBondContact O-N 2.86Å; L28-M32 HydrophobicContact CB-SD 4.5Å; L28-M32 PolarHBondContact O-N 3.4Å; L28-I34 HydrophobicContact CB-CD1 3.58Å; L28-L97 HydrophobicContact CD1-CD2 4.25Å; L28-I191 HydrophobicContact CD2-CG2 4.12Å; L28-I194 HydrophobicContact CD1-CG2 3.82Å; L28-E195 HydrophobicContact CD2-CG 4.09Å
29S96.5Very high97.6Very high41 Ų4138.1 Ų38.129%0.28718%0.175SC..THydrogen-bonded Turntrans-63.2-9.1179.7590000114.5V25 E31 M32V25-S29 WeakPolarHBondContact O-CB 3.37Å; V25-S29 PolarHBondContact O-N 2.79Å; V25-S29 PolarHBondContact O-OG 2.96Å; S29-E31 VanDerWaalsContact C-N 3.35Å; S29-M32 WeakPolarHBondContact CA-O 3.47Å
30K95.5Very high97.4Very high163 Ų16336.9 Ų36.971%0.70917%0.17SC*.THydrogen-bonded Turntrans-76.2-23.9173.2-62.1179.5-176.9178.40113.2L28L28-K30 PolarHBondContact O-N 3.19Å
31E94.8Very high97Very high140 Ų14039 Ų3965%0.65418%0.181SC*.THydrogen-bonded Turntrans-118.4-19.3-171.7-64-176-171.200113.1L28 S29 K201L28-E31 PolarHBondContact O-N 2.86Å; S29-E31 VanDerWaalsContact C-N 3.35Å; E31-K201 IonicContact OE2-NZ 2.73Å; E31-K201 PolarHBondContact OE2-NZ 3.31Å
32M95.5Very high96.6Very high26 Ų2647.3 Ų47.313%0.12821%0.213CC..SBendtrans-146.9159-177.572.1-173.7-46.200112.4L28 S29 I34 E96 L97 L199L28-M32 HydrophobicContact CB-SD 4.5Å; L28-M32 PolarHBondContact O-N 3.4Å; S29-M32 WeakPolarHBondContact CA-O 3.47Å; M32-I34 HydrophobicContact CG-CD1 4Å; M32-I34 HydrophobicContact CG-CG1 3.83Å; M32-E96 WeakPolarHBondContact CA-OE2 3.15Å; M32-E96 WeakPolarHBondContact CB-OE2 3.3Å; M32-E96 HydrophobicContact CE-CB 3.85Å; M32-L97 HydrophobicContact CE-CB 3.79Å; M32-L97 HydrophobicContact CE-CD2 4.41Å; M32-L97 HydrophobicContact SD-CB 4.24Å; M32-L97 HydrophobicContact SD-CD2 3.92Å; M32-L199 HydrophobicContact CE-CD1 3.96Å; M32-L199 HydrophobicContact CE-CD2 3.83Å; M32-L199 HydrophobicContact SD-CD1 3.58Å; M32-L199 VanDerWaalsContact SD-CD1 3.58Å; M32-L199 HydrophobicContact SD-CD2 4.4Å
33S97Very high96.3Very high14 Ų1447.9 Ų47.910%0.09822%0.22CC..  trans-82.5122.6179.6-167.80000111.6R60 D94 E96 L97S33-R60 PolarHBondContact OG-NH1 2.81Å; S33-R60 PolarHBondContact OG-NH2 3.31Å; S33-D94 WeakPolarHBondContact CB-O 3.43Å; S33-D94 WeakPolarHBondContact CB-OD2 3.24Å; S33-D94 VanDerWaalsContact OG-CG 3.32Å; S33-D94 PolarHBondContact OG-O 3.27Å; S33-D94 PolarHBondContact OG-OD2 3.01Å; S33-E96 PolarHBondContact N-OE2 2.93Å; S33-E96 PolarHBondContact O-N 3Å; S33-L97 PolarHBondContact O-N 3.09Å
34I98.4Very high96Very high2 Ų249.6 Ų49.61%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-124.3145.3-172.7-53.6180000110.9V25 L28 M32 L56 R60 L97 F99V25-I34 HydrophobicContact CG2-CG2 4.2Å; L28-I34 HydrophobicContact CB-CD1 3.58Å; M32-I34 HydrophobicContact CG-CD1 4Å; M32-I34 HydrophobicContact CG-CG1 3.83Å; I34-L56 HydrophobicContact CB-CD2 4.49Å; I34-L56 HydrophobicContact CG2-CD1 4.38Å; I34-R60 PolarHBondContact O-NH1 2.82Å; I34-L97 CarbonylContact C-O 3.36Å; I34-L97 VanDerWaalsContact CA-O 3.28Å; I34-L97 WeakPolarHBondContact CA-O 3.41Å; I34-L97 HydrophobicContact CD1-CD2 4.32Å; I34-L97 HydrophobicContact CG1-CB 4.33Å; I34-L97 HydrophobicContact CG1-CD2 4.49Å; I34-F99 HydrophobicContact CG2-CD2 3.94Å; I34-F99 HydrophobicContact CG2-CE2 4.13Å
35G98.5Very high95.8Very high0 Ų054.3 Ų54.30%025%0.249CC..EExtended strand (participates in β ladder)trans-127.5159164.500000112R60 L97 I98 F99G35-R60 WeakPolarHBondContact CA-O 3.43Å; G35-L97 PolarHBondContact N-O 3.04Å; G35-I98 WeakPolarHBondContact O-CA 3.16Å; G35-F99 PolarHBondContact O-N 2.89Å
36V98.8Very high95.6Very high2 Ų255.4 Ų55.41%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-133.5135179.8-176.40000110.7I21 V25 T38 L50 L56 R60 I61 I62 F99I21-V36 HydrophobicContact CG2-CG1 3.93Å; I21-V36 HydrophobicContact CG2-CG2 3.94Å; V25-V36 HydrophobicContact CG2-CG2 4.07Å; V36-T38 HydrophobicContact CG1-CG2 4.12Å; V36-L50 HydrophobicContact CB-CD1 4.32Å; V36-L50 HydrophobicContact CG1-CD1 3.58Å; V36-L56 HydrophobicContact CG2-CD1 3.74Å; V36-R60 PolarHBondContact N-O 3.18Å; V36-I61 CarbonylContact O-C 3.54Å; V36-I61 VanDerWaalsContact O-CA 3.3Å; V36-I61 WeakPolarHBondContact O-CA 3.31Å; V36-I62 PolarHBondContact O-N 3.21Å; V36-F99 CarbonylContact C-O 3.56Å; V36-F99 WeakPolarHBondContact CA-O 3.3Å; V36-F99 HydrophobicContact CG1-CB 4.37Å; V36-F99 HydrophobicContact CG2-CB 4.33Å
37I98.6Very high95.6Very high0 Ų051 Ų510%024%0.237CC..EExtended strand (participates in β ladder)trans-117.5123.7170.8-61167.7000107.8I62 V64 N81 A84 I85 L88 I98 F99 I100 E101I37-I62 CarbonylContact C-O 3.57Å; I37-I62 VanDerWaalsContact CA-O 3.27Å; I37-I62 WeakPolarHBondContact CA-O 3.14Å; I37-I62 HydrophobicContact CG1-CB 4.5Å; I37-V64 HydrophobicContact CG2-CG2 3.82Å; I37-N81 WeakPolarHBondContact CG2-OD1 3.31Å; I37-A84 HydrophobicContact CD1-CB 3.82Å; I37-A84 HydrophobicContact CG1-CB 4.19Å; I37-A84 HydrophobicContact CG2-CB 4.04Å; I37-I85 HydrophobicContact CD1-CB 4.33Å; I37-I85 HydrophobicContact CD1-CG1 3.47Å; I37-I85 VanDerWaalsContact CD1-CG1 3.47Å; I37-L88 HydrophobicContact CG1-CD2 4.41Å; I37-I98 HydrophobicContact CD1-CG2 4.12Å; I37-I98 HydrophobicContact CG1-CG2 4.4Å; I37-F99 PolarHBondContact N-O 2.98Å; I37-I100 CarbonylContact O-C 3.47Å; I37-I100 WeakPolarHBondContact O-CA 3.22Å; I37-E101 PolarHBondContact O-N 3.29Å
38T97.9Very high95.6Very high2 Ų249.8 Ų49.81%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-108.4135.7175.762.20000110V36 D46 E47 L50 I62 G63 V64 E101V36-T38 HydrophobicContact CG1-CG2 4.12Å; T38-D46 HydrophobicContact CG2-CB 4Å; T38-E47 PolarHBondContact OG1-N 3.14Å; T38-L50 HydrophobicContact CG2-CD1 3.58Å; T38-I62 PolarHBondContact N-O 3.42Å; T38-G63 WeakPolarHBondContact O-CA 3.5Å; T38-V64 PolarHBondContact O-N 3.42Å; T38-E101 HydrophobicContact CG2-CB 4.31Å
39N97.4Very high95.5Very high1 Ų152.8 Ų52.81%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-107129.3175.2-70.4-107.5000109.7T66 N81 E101 S102 G103N39-T66 HydrophobicContact CB-CG2 3.97Å; N39-N81 PolarHBondContact ND2-OD1 3Å; N39-N81 PolarHBondContact OD1-ND2 2.82Å; N39-N81 PolarHBondContact OD1-OD1 3.27Å; N39-E101 VanDerWaalsContact CB-O 3.29Å; N39-E101 WeakPolarHBondContact CB-O 3.48Å; N39-E101 PolarHBondContact N-O 2.94Å; N39-E101 PolarHBondContact ND2-O 2.95Å; N39-S102 CarbonylContact O-C 3.59Å; N39-G103 WeakPolarHBondContact O-CA 3.32Å; N39-G103 PolarHBondContact O-N 3.47Å
40D94.7Very high95.6Very high38 Ų3850.9 Ų50.920%0.20324%0.237CC..EExtended strand (participates in β ladder)trans-141.9156.7172.4-166.58000109.7T43 V64 E65 T66D40-T43 WeakPolarHBondContact CB-O 3.3Å; D40-T43 PolarHBondContact OD2-OG1 3.15Å; D40-V64 PolarHBondContact N-O 3.01Å; D40-E65 CarbonylContact O-C 3.57Å; D40-E65 WeakPolarHBondContact O-CA 3.43Å; D40-T66 PolarHBondContact O-N 3Å
41I90.7Very high95.7Very high46 Ų4645 Ų4524%0.23621%0.214CC..SBendtrans-75.5-46.7-166.3-56.1-178.2000111G67 G68 P70I41-G67 WeakPolarHBondContact O-CA 3.35Å; I41-G67 PolarHBondContact O-N 3.42Å; I41-G68 WeakPolarHBondContact CG2-O 3.3Å; I41-P70 HydrophobicContact CD1-CG 3.87Å; I41-P70 HydrophobicContact CG1-CG 4.09Å
42Y90.3Very high95.8Very high176 Ų17644.7 Ų44.769%0.6922%0.217SC*.SBendtrans-133.82-170.5-57.2-59.2000113.6
43T91.4Very high95.9Very high58 Ų5845.5 Ų45.536%0.35623%0.225SC..  trans-140.8175-173.795.60000111.4D40 E45 E65D40-T43 WeakPolarHBondContact CB-O 3.3Å; D40-T43 PolarHBondContact OD2-OG1 3.15Å; T43-E45 VanDerWaalsContact OG1-CB 3.3Å; T43-E45 WeakPolarHBondContact OG1-CB 3.45Å; T43-E45 PolarHBondContact OG1-N 3.17Å; T43-E45 VanDerWaalsContact OG1-N 3.09Å; T43-E65 WeakPolarHBondContact O-CG 3.4Å
44K92.5Very high95.8Very high70 Ų7047.6 Ų47.630%0.30425%0.249SC..  trans-118.633.6171.7-80.4165.5159.2-83.50110.5E47 K48 G63 E65K44-E47 HydrophobicContact CB-CB 4.4Å; K44-E47 WeakPolarHBondContact CB-OE2 3.42Å; K44-E47 VanDerWaalsContact CD-OE2 3.26Å; K44-E47 WeakPolarHBondContact CD-OE2 3.4Å; K44-E47 WeakPolarHBondContact CG-OE2 3.25Å; K44-E47 IonicContact NZ-OE1 3.53Å; K44-E47 IonicContact NZ-OE2 2.8Å; K44-E47 PolarHBondContact NZ-OE2 3.25Å; K44-K48 VanDerWaalsContact O-CG 3.29Å; K44-K48 WeakPolarHBondContact O-CG 3.15Å; K44-K48 PolarHBondContact O-N 3.44Å; K44-K48 VanDerWaalsContact O-N 3.08Å; K44-G63 WeakPolarHBondContact CE-O 3.43Å; K44-G63 PolarHBondContact NZ-O 2.63Å; K44-E65 HydrophobicContact CG-CG 4.05Å
45E93.7Very high95.7Very high102 Ų10248.5 Ų48.548%0.47726%0.255SS..Hα-helixtrans-67.4-43.7-173-167.966-170.100111.8T43 E47 K48 I49T43-E45 VanDerWaalsContact OG1-CB 3.3Å; T43-E45 WeakPolarHBondContact OG1-CB 3.45Å; T43-E45 PolarHBondContact OG1-N 3.17Å; T43-E45 VanDerWaalsContact OG1-N 3.09Å; E45-E47 PolarHBondContact O-N 3.39Å; E45-K48 PolarHBondContact O-N 3.36Å; E45-I49 HydrophobicContact CG-CD1 4.3Å; E45-I49 WeakPolarHBondContact O-CG1 3.27Å; E45-I49 PolarHBondContact O-N 2.9Å
46D94Very high95.7Very high23 Ų2349.3 Ų49.312%0.12326%0.259CS..Hα-helixtrans-63.6-40.4177.9-73.8-39.2000112.1T18 T38 K48 I49 L50T18-D46 HydrophobicContact CG2-CB 4.01Å; T18-D46 PolarHBondContact OG1-OD1 3.01Å; T38-D46 HydrophobicContact CG2-CB 4Å; D46-K48 PolarHBondContact O-N 3.02Å; D46-I49 PolarHBondContact O-N 3.44Å; D46-L50 PolarHBondContact O-N 3.46Å; D46-L50 VanDerWaalsContact O-N 3.14Å
47E97Very high95.6Very high29 Ų2952.9 Ų52.914%0.13628%0.283CS..Hα-helixtrans-56.1-50.3170.7170.4177.7-128.700110.9T38 K44 E45 I49 L50 V51 I61 G63T38-E47 PolarHBondContact OG1-N 3.14Å; K44-E47 HydrophobicContact CB-CB 4.4Å; K44-E47 WeakPolarHBondContact CB-OE2 3.42Å; K44-E47 VanDerWaalsContact CD-OE2 3.26Å; K44-E47 WeakPolarHBondContact CD-OE2 3.4Å; K44-E47 WeakPolarHBondContact CG-OE2 3.25Å; K44-E47 IonicContact NZ-OE1 3.53Å; K44-E47 IonicContact NZ-OE2 2.8Å; K44-E47 PolarHBondContact NZ-OE2 3.25Å; E45-E47 PolarHBondContact O-N 3.39Å; E47-I49 PolarHBondContact O-N 3.42Å; E47-L50 PolarHBondContact O-N 2.9Å; E47-V51 HydrophobicContact CG-CG2 4.39Å; E47-V51 VanDerWaalsContact O-CG2 3.31Å; E47-V51 WeakPolarHBondContact O-CG2 3.38Å; E47-V51 PolarHBondContact O-N 3.14Å; E47-I61 HydrophobicContact CB-CG2 4.37Å; E47-I61 HydrophobicContact CG-CG2 3.99Å; E47-G63 PolarHBondContact OE1-N 3.33Å
48K96.6Very high95.5Very high108 Ų10859.5 Ų59.547%0.4731%0.313SS..Hα-helixtrans-62.8-39.2179.5-70.7169.5-169.7169.80112.8K44 E45 D46 L50 V51 N52K44-K48 VanDerWaalsContact O-CG 3.29Å; K44-K48 WeakPolarHBondContact O-CG 3.15Å; K44-K48 PolarHBondContact O-N 3.44Å; K44-K48 VanDerWaalsContact O-N 3.08Å; E45-K48 PolarHBondContact O-N 3.36Å; D46-K48 PolarHBondContact O-N 3.02Å; K48-L50 VanDerWaalsContact C-N 3.31Å; K48-L50 PolarHBondContact O-N 3.48Å; K48-V51 PolarHBondContact O-N 3.42Å; K48-N52 VanDerWaalsContact O-CB 3.22Å; K48-N52 WeakPolarHBondContact O-CB 3.29Å; K48-N52 PolarHBondContact O-N 2.62Å; K48-N52 PolarHBondContact O-ND2 3.21Å
49I96.5Very high95.5Very high67 Ų6762 Ų6234%0.34433%0.331SS..Hα-helixtrans-58-48.2176.1-71.8166.2000109.6T18 E45 D46 E47 N52 S53T18-I49 HydrophobicContact CG2-CB 4.19Å; T18-I49 HydrophobicContact CG2-CG2 3.93Å; E45-I49 HydrophobicContact CG-CD1 4.3Å; E45-I49 WeakPolarHBondContact O-CG1 3.27Å; E45-I49 PolarHBondContact O-N 2.9Å; D46-I49 PolarHBondContact O-N 3.44Å; E47-I49 PolarHBondContact O-N 3.42Å; I49-N52 PolarHBondContact O-N 3.41Å; I49-S53 PolarHBondContact O-N 2.76Å
50L97.4Very high95.6Very high1 Ų163.5 Ų63.51%0.00534%0.336CS..Hα-helixtrans-67.1-44.3179.7-68.5174.9000112.5T18 I21 E22 V36 T38 D46 E47 K48 N52 S53 I61T18-L50 HydrophobicContact CG2-CD1 4.46Å; T18-L50 HydrophobicContact CG2-CD2 4.19Å; T18-L50 HydrophobicContact CG2-CG 3.95Å; I21-L50 HydrophobicContact CG2-CD1 4.24Å; I21-L50 HydrophobicContact CG2-CD2 4.12Å; E22-L50 HydrophobicContact CB-CD2 4.02Å; V36-L50 HydrophobicContact CB-CD1 4.32Å; V36-L50 HydrophobicContact CG1-CD1 3.58Å; T38-L50 HydrophobicContact CG2-CD1 3.58Å; D46-L50 PolarHBondContact O-N 3.46Å; D46-L50 VanDerWaalsContact O-N 3.14Å; E47-L50 PolarHBondContact O-N 2.9Å; K48-L50 VanDerWaalsContact C-N 3.31Å; K48-L50 PolarHBondContact O-N 3.48Å; L50-N52 VanDerWaalsContact C-N 3.33Å; L50-N52 PolarHBondContact O-N 2.88Å; L50-S53 PolarHBondContact O-N 2.56Å; L50-S53 PolarHBondContact O-OG 3.22Å; L50-I61 HydrophobicContact CB-CD1 3.78Å; L50-I61 HydrophobicContact CB-CG2 4.35Å; L50-I61 HydrophobicContact CD1-CG2 4.38Å
51V97.3Very high95.7Very high39 Ų3961.9 Ų61.924%0.23633%0.327CS..Hα-helixtrans-57.9-47.1175.4171.60000110.7E47 K48 S53 G54 E58 I61E47-V51 HydrophobicContact CG-CG2 4.39Å; E47-V51 VanDerWaalsContact O-CG2 3.31Å; E47-V51 WeakPolarHBondContact O-CG2 3.38Å; E47-V51 PolarHBondContact O-N 3.14Å; K48-V51 PolarHBondContact O-N 3.42Å; V51-S53 VanDerWaalsContact C-N 3.29Å; V51-S53 PolarHBondContact O-N 3.34Å; V51-G54 PolarHBondContact O-N 2.91Å; V51-G54 VanDerWaalsContact O-N 3.14Å; V51-E58 HydrophobicContact CG1-CB 4.19Å; V51-E58 HydrophobicContact CG1-CG 4.22Å; V51-E58 HydrophobicContact CG2-CB 4.25Å; V51-E58 HydrophobicContact CG2-CG 3.96Å; V51-I61 HydrophobicContact CG2-CB 4.35Å; V51-I61 HydrophobicContact CG2-CD1 3.8Å; V51-I61 HydrophobicContact CG2-CG2 4.5Å
52N97.6Very high96.1Very high135 Ų13560.2 Ų60.272%0.72232%0.319SS*.Hα-helixtrans-68.6-26-179.4-71-31.7000113.4K48 I49 L50 G54K48-N52 VanDerWaalsContact O-CB 3.22Å; K48-N52 WeakPolarHBondContact O-CB 3.29Å; K48-N52 PolarHBondContact O-N 2.62Å; K48-N52 PolarHBondContact O-ND2 3.21Å; I49-N52 PolarHBondContact O-N 3.41Å; L50-N52 VanDerWaalsContact C-N 3.33Å; L50-N52 PolarHBondContact O-N 2.88Å; N52-G54 PolarHBondContact O-N 2.92Å
53S96.7Very high96.4Very high42 Ų4252.2 Ų52.229%0.29429%0.29SS..Hα-helixtrans-68.1-22.2174.677.50000112.9I49 L50 V51 V55I49-S53 PolarHBondContact O-N 2.76Å; L50-S53 PolarHBondContact O-N 2.56Å; L50-S53 PolarHBondContact O-OG 3.22Å; V51-S53 VanDerWaalsContact C-N 3.29Å; V51-S53 PolarHBondContact O-N 3.34Å; S53-V55 PolarHBondContact O-N 3.2Å; S53-V55 WeakPolarHBondContact OG-CG1 3.46Å; S53-V55 VanDerWaalsContact OG-CG2 3.31Å; S53-V55 WeakPolarHBondContact OG-CG2 3.48Å; S53-V55 PolarHBondContact OG-N 3.17Å
54G96.3Very high96.7Very high58 Ų5850.1 Ų50.160%0.59828%0.277SS*.THydrogen-bonded Turntrans68.815.4-179.400000114.4V51 N52 L56V51-G54 PolarHBondContact O-N 2.91Å; V51-G54 VanDerWaalsContact O-N 3.14Å; N52-G54 PolarHBondContact O-N 2.92Å; G54-L56 VanDerWaalsContact C-N 3.26Å; G54-L56 PolarHBondContact O-N 3.47Å
55V96.5Very high96.8Very high22 Ų2251.5 Ų51.513%0.13329%0.285CS..SBendtrans-70.2-24179.3-62.60000113E22 V25 K26 S53E22-V55 HydrophobicContact CG-CG1 3.77Å; V25-V55 HydrophobicContact CB-CG2 4.38Å; V25-V55 HydrophobicContact CG1-CB 4.12Å; V25-V55 HydrophobicContact CG1-CG2 3.9Å; K26-V55 HydrophobicContact CB-CG1 3.9Å; K26-V55 HydrophobicContact CG-CG1 4.39Å; S53-V55 PolarHBondContact O-N 3.2Å; S53-V55 WeakPolarHBondContact OG-CG1 3.46Å; S53-V55 VanDerWaalsContact OG-CG2 3.31Å; S53-V55 WeakPolarHBondContact OG-CG2 3.48Å; S53-V55 PolarHBondContact OG-N 3.17Å
56L97.6Very high96.7Very high17 Ų1747.5 Ų47.59%0.08927%0.267CS..SBendtrans-141.1155.8172.3-68.7173.3000110.3V25 I34 V36 G54 R60 I61V25-L56 HydrophobicContact CG1-CD1 3.6Å; V25-L56 HydrophobicContact CG1-CD2 3.86Å; V25-L56 HydrophobicContact CG1-CG 3.46Å; V25-L56 VanDerWaalsContact CG1-CG 3.46Å; I34-L56 HydrophobicContact CB-CD2 4.49Å; I34-L56 HydrophobicContact CG2-CD1 4.38Å; V36-L56 HydrophobicContact CG2-CD1 3.74Å; G54-L56 VanDerWaalsContact C-N 3.26Å; G54-L56 PolarHBondContact O-N 3.47Å; L56-R60 HydrophobicContact CB-CB 4.38Å; L56-R60 HydrophobicContact CD1-CB 4.49Å; L56-I61 HydrophobicContact CB-CD1 4.21Å; L56-I61 HydrophobicContact CB-CG1 4.28Å
57P96.7Very high96.5Very high77 Ų7749 Ų4950%0.529%0.288SS..  trans-54.3142.5162.2-21.831.8000111.5S59 R60P57-S59 PolarHBondContact O-N 3.36Å; P57-S59 VanDerWaalsContact O-N 3.15Å; P57-R60 WeakPolarHBondContact O-CB 3.23Å; P57-R60 PolarHBondContact O-N 2.81Å
58E97.4Very high96Very high139 Ų13949 Ų4965%0.6530%0.295SS*.G310 helixtrans-53.2-36.5177.6-179.6178.8178.200112.6V51 R60 I61V51-E58 HydrophobicContact CG1-CB 4.19Å; V51-E58 HydrophobicContact CG1-CG 4.22Å; V51-E58 HydrophobicContact CG2-CB 4.25Å; V51-E58 HydrophobicContact CG2-CG 3.96Å; E58-R60 PolarHBondContact O-N 2.82Å; E58-I61 PolarHBondContact O-N 3.49Å; E58-I61 VanDerWaalsContact O-O 3.12Å
59S97.6Very high95.7Very high53 Ų5346.9 Ų46.937%0.37129%0.293SS..G310 helixtrans-62.9-13.3179.1660000114.7P57 H92P57-S59 PolarHBondContact O-N 3.36Å; P57-S59 VanDerWaalsContact O-N 3.15Å; S59-H92 WeakPolarHBondContact CB-NE2 3.36Å; S59-H92 PolarHBondContact O-CD2 2.91Å; S59-H92 PolarHBondContact O-NE2 3.33Å; S59-H92 PolarHBondContact OG-CE1 2.93Å; S59-H92 PolarHBondContact OG-NE2 3.02Å
60R98.3Very high95.4Very high33 Ų3344.2 Ų44.213%0.12528%0.281CS..G310 helixtrans-101.76.7178.1-69.3177.4170.9-97.8-0.6113.3S33 I34 G35 V36 L56 P57 E58 H92 D94 I95S33-R60 PolarHBondContact OG-NH1 2.81Å; S33-R60 PolarHBondContact OG-NH2 3.31Å; I34-R60 PolarHBondContact O-NH1 2.82Å; G35-R60 WeakPolarHBondContact CA-O 3.43Å; V36-R60 PolarHBondContact N-O 3.18Å; L56-R60 HydrophobicContact CB-CB 4.38Å; L56-R60 HydrophobicContact CD1-CB 4.49Å; P57-R60 WeakPolarHBondContact O-CB 3.23Å; P57-R60 PolarHBondContact O-N 2.81Å; E58-R60 PolarHBondContact O-N 2.82Å; R60-H92 VanDerWaalsContact CG-CD2 3.44Å; R60-H92 WeakPolarHBondContact CG-CD2 3.42Å; R60-D94 IonicContact CZ-OD1 3.92Å; R60-D94 IonicContact CZ-OD2 3.84Å; R60-D94 IonicContact NH1-OD2 3.94Å; R60-D94 VanDerWaalsContact NH2-CG 3.32Å; R60-D94 IonicContact NH2-OD1 2.92Å; R60-D94 PolarHBondContact NH2-OD1 2.89Å; R60-D94 IonicContact NH2-OD2 2.88Å; R60-D94 PolarHBondContact NH2-OD2 2.88Å; R60-I95 VanDerWaalsContact NH1-CG1 3.32Å
61I98.6Very high95.1Very high4 Ų445 Ų452%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-123.1128.4178.4-55.8165.9000107.6V36 E47 L50 V51 L56 E58V36-I61 CarbonylContact O-C 3.54Å; V36-I61 VanDerWaalsContact O-CA 3.3Å; V36-I61 WeakPolarHBondContact O-CA 3.31Å; E47-I61 HydrophobicContact CB-CG2 4.37Å; E47-I61 HydrophobicContact CG-CG2 3.99Å; L50-I61 HydrophobicContact CB-CD1 3.78Å; L50-I61 HydrophobicContact CB-CG2 4.35Å; L50-I61 HydrophobicContact CD1-CG2 4.38Å; V51-I61 HydrophobicContact CG2-CB 4.35Å; V51-I61 HydrophobicContact CG2-CD1 3.8Å; V51-I61 HydrophobicContact CG2-CG2 4.5Å; L56-I61 HydrophobicContact CB-CD1 4.21Å; L56-I61 HydrophobicContact CB-CG1 4.28Å; E58-I61 PolarHBondContact O-N 3.49Å; E58-I61 VanDerWaalsContact O-O 3.12Å
62I98.2Very high94.9Very high12 Ų1245.7 Ų45.76%0.06229%0.289CS..EExtended strand (participates in β ladder)trans-125.8119.4174.9-64.1173.8000109.6V36 I37 T38 A84 E87 L88V36-I62 PolarHBondContact O-N 3.21Å; I37-I62 CarbonylContact C-O 3.57Å; I37-I62 VanDerWaalsContact CA-O 3.27Å; I37-I62 WeakPolarHBondContact CA-O 3.14Å; I37-I62 HydrophobicContact CG1-CB 4.5Å; T38-I62 PolarHBondContact N-O 3.42Å; I62-A84 WeakPolarHBondContact CD1-O 3.28Å; I62-A84 HydrophobicContact CG2-CB 3.86Å; I62-E87 HydrophobicContact CD1-CB 3.99Å; I62-E87 HydrophobicContact CD1-CG 3.8Å; I62-E87 WeakPolarHBondContact CD1-OE1 3.49Å; I62-L88 HydrophobicContact CD1-CB 3.98Å; I62-L88 HydrophobicContact CD1-CD1 4.03Å; I62-L88 HydrophobicContact CG1-CD1 4.26Å
63G97.3Very high94.7Very high7 Ų739.6 Ų39.67%0.07226%0.257CS..EExtended strand (participates in β ladder)trans-87.6119.4169.300000112.2T38 K44 E47T38-G63 WeakPolarHBondContact O-CA 3.5Å; K44-G63 WeakPolarHBondContact CE-O 3.43Å; K44-G63 PolarHBondContact NZ-O 2.63Å; E47-G63 PolarHBondContact OE1-N 3.33Å
64V97.1Very high94.7Very high14 Ų1437.6 Ų37.69%0.08524%0.243CC..EExtended strand (participates in β ladder)trans-95.5118.2173.1176.50000109.6I37 T38 D40 T66 M80 A84I37-V64 HydrophobicContact CG2-CG2 3.82Å; T38-V64 PolarHBondContact O-N 3.42Å; D40-V64 PolarHBondContact N-O 3.01Å; V64-T66 HydrophobicContact CG1-CG2 4.17Å; V64-M80 HydrophobicContact CG1-CB 3.7Å; V64-M80 HydrophobicContact CG1-CG 4.48Å; V64-M80 HydrophobicContact CG1-SD 4.04Å; V64-A84 HydrophobicContact CG2-CB 3.84Å
65E94.8Very high94.6Very high100 Ų10039 Ų3947%0.46723%0.23SC..EExtended strand (participates in β ladder)trans-86.2104.1167.4-71.6-178.3-174.800109.2D40 T43 K44 G67D40-E65 CarbonylContact O-C 3.57Å; D40-E65 WeakPolarHBondContact O-CA 3.43Å; T43-E65 WeakPolarHBondContact O-CG 3.4Å; K44-E65 HydrophobicContact CG-CG 4.05Å; E65-G67 VanDerWaalsContact C-N 3.32Å; E65-G67 PolarHBondContact O-N 3.35Å
66T90.8Very high94.5Very high18 Ų1843.6 Ų43.611%0.1125%0.25CS..  trans-75.7-22.7-170.969.40000113.1N39 D40 V64 G68 A73N39-T66 HydrophobicContact CB-CG2 3.97Å; D40-T66 PolarHBondContact O-N 3Å; V64-T66 HydrophobicContact CG1-CG2 4.17Å; T66-G68 PolarHBondContact O-N 3.19Å; T66-G68 VanDerWaalsContact O-N 3.15Å; T66-G68 PolarHBondContact OG1-N 3.45Å; T66-G68 PolarHBondContact OG1-O 3.02Å; T66-A73 HydrophobicContact CG2-CB 3.37Å
67G90Very high94.4Very high54 Ų5447.1 Ų47.156%0.55727%0.269SS*.SBendtrans68.82.8-176.900000114.8I41 E65I41-G67 WeakPolarHBondContact O-CA 3.35Å; I41-G67 PolarHBondContact O-N 3.42Å; E65-G67 VanDerWaalsContact C-N 3.32Å; E65-G67 PolarHBondContact O-N 3.35Å
68G87.1Confident94.3Very high28 Ų2843.8 Ų43.829%0.28925%0.248SC..SBendtrans-164-157.9-170.100000115.2I41 T66I41-G68 WeakPolarHBondContact CG2-O 3.3Å; T66-G68 PolarHBondContact O-N 3.19Å; T66-G68 VanDerWaalsContact O-N 3.15Å; T66-G68 PolarHBondContact OG1-N 3.45Å; T66-G68 PolarHBondContact OG1-O 3.02Å
69C90.2Very high94.3Very high64 Ų6440 Ų4043%0.43224%0.237SC..  trans-57.9128.3-175.8-171.80000111.1H71 T72C69-H71 VanDerWaalsContact C-N 3.25Å; C69-H71 PolarHBondContact O-N 2.99Å; C69-T72 WeakPolarHBondContact O-CB 3.1Å; C69-T72 PolarHBondContact O-N 2.82Å
70P90.2Very high94.2Very high12 Ų1241.7 Ų41.78%0.07824%0.24CC..Hα-helixtrans-55.3-37.2179.1-27.835.5000113.8I41 T72 A73 D105I41-P70 HydrophobicContact CD1-CG 3.87Å; I41-P70 HydrophobicContact CG1-CG 4.09Å; P70-T72 VanDerWaalsContact C-N 3.26Å; P70-T72 PolarHBondContact O-N 3.06Å; P70-A73 PolarHBondContact O-N 3.32Å; P70-D105 HydrophobicContact CB-CB 4.25Å
71H91.2Very high94.2Very high18 Ų1840.1 Ų40.18%0.08323%0.234CC..Hα-helixtrans-58.4-37.5175.9-66.5117.5000113.2C69 I74 R75 D105 A109C69-H71 VanDerWaalsContact C-N 3.25Å; C69-H71 PolarHBondContact O-N 2.99Å; H71-I74 PolarHBondContact O-N 2.93Å; H71-R75 VanDerWaalsContact O-CB 3.23Å; H71-R75 WeakPolarHBondContact O-CB 3.44Å; H71-R75 PolarHBondContact O-N 3.41Å; H71-D105 IonicContact CD2-OD1 3.72Å; H71-D105 IonicContact CD2-OD2 2.69Å; H71-D105 PolarHBondContact CD2-OD2 3.35Å; H71-D105 IonicContact CE1-OD1 2.85Å; H71-D105 PolarHBondContact CE1-OD1 3.3Å; H71-D105 IonicContact CE1-OD2 3.87Å; H71-D105 PolarHBondContact CE1-OD2 2.99Å; H71-D105 IonicContact CG-OD2 2.74Å; H71-D105 VanDerWaalsContact CG-OD2 3.3Å; H71-D105 PolarHBondContact N-OD2 3.21Å; H71-D105 IonicContact ND1-OD1 2.89Å; H71-D105 IonicContact ND1-OD2 3.63Å; H71-D105 IonicContact NE2-OD1 2.86Å; H71-D105 PolarHBondContact NE2-OD1 2.89Å; H71-D105 IonicContact NE2-OD2 3.53Å; H71-D105 PolarHBondContact NE2-OD2 3.07Å; H71-A109 WeakPolarHBondContact CD2-CA 3.31Å; H71-A109 WeakPolarHBondContact NE2-CA 3.48Å; H71-A109 VanDerWaalsContact NE2-CB 3.29Å; H71-A109 WeakPolarHBondContact NE2-CB 3.31Å; H71-A109 PolarHBondContact NE2-N 3.45Å
72T92.6Very high94.2Very high53 Ų5343.5 Ų43.533%0.32525%0.249SC..Iπ-helixtrans-64.4-48.9-175.3-59.70000109.3C69 P70 I74 R75 E76 D77C69-T72 WeakPolarHBondContact O-CB 3.1Å; C69-T72 PolarHBondContact O-N 2.82Å; P70-T72 VanDerWaalsContact C-N 3.26Å; P70-T72 PolarHBondContact O-N 3.06Å; T72-I74 VanDerWaalsContact C-N 3.26Å; T72-I74 PolarHBondContact O-N 3.36Å; T72-R75 PolarHBondContact O-N 3.45Å; T72-E76 HydrophobicContact CG2-CB 4.32Å; T72-E76 PolarHBondContact O-N 3.02Å; T72-E76 PolarHBondContact OG1-OE2 3.42Å; T72-D77 HydrophobicContact CG2-CB 4.05Å; T72-D77 CarbonylContact O-C 3.17Å; T72-D77 PolarHBondContact O-N 2.96Å
73A94.5Very high94.2Very high6 Ų645.6 Ų45.65%0.0527%0.268CS..Iπ-helixtrans-63.9-24-177.400000115T66 P70 D77 A78 N81T66-A73 HydrophobicContact CG2-CB 3.37Å; P70-A73 PolarHBondContact O-N 3.32Å; A73-D77 WeakPolarHBondContact CA-O 3.46Å; A73-A78 WeakPolarHBondContact O-CA 3.34Å; A73-N81 PolarHBondContact O-ND2 2.73Å
74I95.8Very high94.2Very high1 Ų145.5 Ų45.51%0.00527%0.266CS..Iπ-helixtrans-107.8-9.3-178.169.6171.9000114H71 T72 F111 S112 L115H71-I74 PolarHBondContact O-N 2.93Å; T72-I74 VanDerWaalsContact C-N 3.26Å; T72-I74 PolarHBondContact O-N 3.36Å; I74-F111 HydrophobicContact CB-CD1 3.76Å; I74-F111 HydrophobicContact CB-CE1 3.9Å; I74-F111 HydrophobicContact CD1-CD1 4.18Å; I74-F111 HydrophobicContact CD1-CD2 4.36Å; I74-F111 HydrophobicContact CD1-CE1 4.13Å; I74-F111 HydrophobicContact CD1-CE2 4.31Å; I74-F111 HydrophobicContact CD1-CG 4.29Å; I74-F111 HydrophobicContact CD1-CZ 4.19Å; I74-F111 HydrophobicContact CG1-CD1 4.43Å; I74-F111 HydrophobicContact CG2-CD1 4.21Å; I74-F111 HydrophobicContact CG2-CE1 3.83Å; I74-S112 PolarHBondContact O-N 2.84Å; I74-L115 HydrophobicContact CB-CD2 4.17Å
75R94.6Very high94.2Very high86 Ų8645.5 Ų45.533%0.32527%0.266SS..Iπ-helixtrans-137.2-51.9-171.3-168.5177.264.7-157.4-5.4114.6H71 T72 A108 T110H71-R75 VanDerWaalsContact O-CB 3.23Å; H71-R75 WeakPolarHBondContact O-CB 3.44Å; H71-R75 PolarHBondContact O-N 3.41Å; T72-R75 PolarHBondContact O-N 3.45Å; R75-A108 PolarHBondContact NH1-O 3.11Å; R75-T110 WeakPolarHBondContact CD-O 3.3Å; R75-T110 WeakPolarHBondContact CD-OG1 3.4Å; R75-T110 PolarHBondContact NH1-OG1 2.77Å
76E94Very high94.4Very high120 Ų12045.9 Ų45.956%0.56127%0.271SS*.Iπ-helixtrans-91.9-37.9-170.1-66.7148.3-163.400112.1T72T72-E76 HydrophobicContact CG2-CB 4.32Å; T72-E76 PolarHBondContact O-N 3.02Å; T72-E76 PolarHBondContact OG1-OE2 3.42Å
77D94.9Very high94.7Very high90 Ų9048.7 Ų48.748%0.48128%0.283SS..  trans-141.288.3174.2-176.6-1.8000109T72 A73 S79T72-D77 HydrophobicContact CG2-CB 4.05Å; T72-D77 CarbonylContact O-C 3.17Å; T72-D77 PolarHBondContact O-N 2.96Å; A73-D77 WeakPolarHBondContact CA-O 3.46Å; D77-S79 VanDerWaalsContact C-N 3.25Å; D77-S79 PolarHBondContact O-N 3.19Å; D77-S79 WeakPolarHBondContact OD1-CB 3Å; D77-S79 PolarHBondContact OD1-N 2.88Å; D77-S79 VanDerWaalsContact OD1-N 3.17Å; D77-S79 PolarHBondContact OD1-OG 2.73Å
78A95.4Very high95.1Very high8 Ų846.1 Ų46.17%0.06626%0.256CS..  trans-86.312.1179.600000113.7A73 M80 N81 F82 L115A73-A78 WeakPolarHBondContact O-CA 3.34Å; A78-M80 VanDerWaalsContact C-N 3.3Å; A78-M80 PolarHBondContact O-N 3.2Å; A78-N81 PolarHBondContact O-N 2.92Å; A78-F82 HydrophobicContact CB-CD2 4.22Å; A78-F82 HydrophobicContact CB-CE2 3.73Å; A78-F82 HydrophobicContact CB-CZ 3.99Å; A78-F82 VanDerWaalsContact O-CD2 3.3Å; A78-F82 WeakPolarHBondContact O-CD2 3.25Å; A78-F82 PolarHBondContact O-N 3.07Å; A78-L115 HydrophobicContact CB-CB 4.32Å; A78-L115 HydrophobicContact CB-CD1 4.32Å; A78-L115 HydrophobicContact CB-CD2 3.99Å; A78-L115 HydrophobicContact CB-CG 4.43Å
79S96.2Very high95.6Very high58 Ų5847.1 Ų47.141%0.40626%0.255SS..Hα-helixtrans-55.7-40.3-174.8580000113.7D77 N81 F82 A83D77-S79 VanDerWaalsContact C-N 3.25Å; D77-S79 PolarHBondContact O-N 3.19Å; D77-S79 WeakPolarHBondContact OD1-CB 3Å; D77-S79 PolarHBondContact OD1-N 2.88Å; D77-S79 VanDerWaalsContact OD1-N 3.17Å; D77-S79 PolarHBondContact OD1-OG 2.73Å; S79-N81 VanDerWaalsContact C-N 3.33Å; S79-N81 PolarHBondContact O-N 2.88Å; S79-F82 PolarHBondContact O-N 3.3Å; S79-A83 PolarHBondContact O-N 2.97Å
80M96.6Very high95.9Very high90 Ų9052.3 Ų52.344%0.44327%0.273SS..Hα-helixtrans-64-38.4176.4-64.8-177.8176.500112.4V64 A78 A84V64-M80 HydrophobicContact CG1-CB 3.7Å; V64-M80 HydrophobicContact CG1-CG 4.48Å; V64-M80 HydrophobicContact CG1-SD 4.04Å; A78-M80 VanDerWaalsContact C-N 3.3Å; A78-M80 PolarHBondContact O-N 3.2Å; M80-A84 WeakPolarHBondContact O-CB 3.15Å; M80-A84 PolarHBondContact O-N 2.95Å
81N97.9Very high96.2Very high0 Ų057.8 Ų57.80%029%0.292CS..Hα-helixtrans-71.4-37.5175.8-78.4-78000111.5I37 N39 A73 A78 S79 A84 I85 I100 L115I37-N81 WeakPolarHBondContact CG2-OD1 3.31Å; N39-N81 PolarHBondContact ND2-OD1 3Å; N39-N81 PolarHBondContact OD1-ND2 2.82Å; N39-N81 PolarHBondContact OD1-OD1 3.27Å; A73-N81 PolarHBondContact O-ND2 2.73Å; A78-N81 PolarHBondContact O-N 2.92Å; S79-N81 VanDerWaalsContact C-N 3.33Å; S79-N81 PolarHBondContact O-N 2.88Å; N81-A84 PolarHBondContact O-N 2.83Å; N81-I85 VanDerWaalsContact O-CG1 3.25Å; N81-I85 WeakPolarHBondContact O-CG1 3.35Å; N81-I85 PolarHBondContact O-N 3.45Å; N81-I100 WeakPolarHBondContact OD1-CG2 3.35Å; N81-L115 HydrophobicContact CB-CD1 3.58Å; N81-L115 HydrophobicContact CB-CD2 4.13Å
82F97.9Very high96.5Very high74 Ų7458.5 Ų58.533%0.32530%0.295SS..Hα-helixtrans-61.6-44.7173.6-64.5-47.4000111.8A78 S79 A84 I85 D86 E114 L115A78-F82 HydrophobicContact CB-CD2 4.22Å; A78-F82 HydrophobicContact CB-CE2 3.73Å; A78-F82 HydrophobicContact CB-CZ 3.99Å; A78-F82 VanDerWaalsContact O-CD2 3.3Å; A78-F82 WeakPolarHBondContact O-CD2 3.25Å; A78-F82 PolarHBondContact O-N 3.07Å; S79-F82 PolarHBondContact O-N 3.3Å; F82-A84 VanDerWaalsContact C-N 3.32Å; F82-A84 PolarHBondContact O-N 2.72Å; F82-I85 HydrophobicContact CD1-CD1 4.34Å; F82-I85 PolarHBondContact O-N 2.83Å; F82-D86 PolarHBondContact O-N 3.19Å; F82-E114 HydrophobicContact CZ-CB 4.21Å; F82-L115 HydrophobicContact CD1-CD1 4.18Å; F82-L115 HydrophobicContact CE1-CB 4.44Å; F82-L115 HydrophobicContact CE1-CD1 3.94Å
83A98.1Very high96.7Very high57 Ų5760.8 Ų60.847%0.47131%0.306SS..Hα-helixtrans-60.7-40.7174.400000112.3S79 D86 E87S79-A83 PolarHBondContact O-N 2.97Å; A83-D86 PolarHBondContact O-N 2.9Å; A83-E87 WeakPolarHBondContact O-CB 3.45Å; A83-E87 PolarHBondContact O-N 3Å
84A98.1Very high96.8Very high4 Ų464.1 Ų64.13%0.03332%0.323CS..Hα-helixtrans-65.7-37.5175.400000112.7I37 I62 V64 M80 N81 F82 L88I37-A84 HydrophobicContact CD1-CB 3.82Å; I37-A84 HydrophobicContact CG1-CB 4.19Å; I37-A84 HydrophobicContact CG2-CB 4.04Å; I62-A84 WeakPolarHBondContact CD1-O 3.28Å; I62-A84 HydrophobicContact CG2-CB 3.86Å; V64-A84 HydrophobicContact CG2-CB 3.84Å; M80-A84 WeakPolarHBondContact O-CB 3.15Å; M80-A84 PolarHBondContact O-N 2.95Å; N81-A84 PolarHBondContact O-N 2.83Å; F82-A84 VanDerWaalsContact C-N 3.32Å; F82-A84 PolarHBondContact O-N 2.72Å; A84-L88 VanDerWaalsContact O-CB 3.3Å; A84-L88 WeakPolarHBondContact O-CB 2.84Å; A84-L88 PolarHBondContact O-N 3.28Å
85I98.3Very high96.8Very high15 Ų1564.4 Ų64.48%0.07732%0.324CS..Hα-helixtrans-63.1-47.7174.1-69.2162.2000110.3K6 I37 N81 F82 E87 L88 L89 I98 I100 L115K6-I85 HydrophobicContact CD-CD1 4.01Å; I37-I85 HydrophobicContact CD1-CB 4.33Å; I37-I85 HydrophobicContact CD1-CG1 3.47Å; I37-I85 VanDerWaalsContact CD1-CG1 3.47Å; N81-I85 VanDerWaalsContact O-CG1 3.25Å; N81-I85 WeakPolarHBondContact O-CG1 3.35Å; N81-I85 PolarHBondContact O-N 3.45Å; F82-I85 HydrophobicContact CD1-CD1 4.34Å; F82-I85 PolarHBondContact O-N 2.83Å; I85-E87 PolarHBondContact O-N 2.73Å; I85-L88 WeakPolarHBondContact O-CB 3.45Å; I85-L88 PolarHBondContact O-N 2.99Å; I85-L89 HydrophobicContact CG2-CD1 3.88Å; I85-L89 HydrophobicContact CG2-CG 4.43Å; I85-L89 WeakPolarHBondContact O-CG 3.41Å; I85-L89 PolarHBondContact O-N 2.83Å; I85-I98 HydrophobicContact CG2-CD1 4.12Å; I85-I100 HydrophobicContact CD1-CD1 3.9Å; I85-I100 HydrophobicContact CG1-CD1 4.39Å; I85-L115 HydrophobicContact CD1-CD1 3.92Å
86D97.8Very high97Very high108 Ų10865.2 Ų65.258%0.57833%0.331SS*.Hα-helixtrans-61.2-44.6179.7-71.2-19.5000111.3F82 A83 L88 L89 E90F82-D86 PolarHBondContact O-N 3.19Å; A83-D86 PolarHBondContact O-N 2.9Å; D86-L88 VanDerWaalsContact C-N 3.33Å; D86-L88 PolarHBondContact O-N 3.17Å; D86-L89 PolarHBondContact O-N 3.15Å; D86-E90 WeakPolarHBondContact O-CB 3.34Å; D86-E90 PolarHBondContact O-N 3.34Å
87E98.1Very high97.2Very high76 Ų7659.5 Ų59.536%0.35531%0.305SS..Hα-helixtrans-60.1-41.8175.8178.9178.9134.800112.2I62 A83 I85 R91I62-E87 HydrophobicContact CD1-CB 3.99Å; I62-E87 HydrophobicContact CD1-CG 3.8Å; I62-E87 WeakPolarHBondContact CD1-OE1 3.49Å; A83-E87 WeakPolarHBondContact O-CB 3.45Å; A83-E87 PolarHBondContact O-N 3Å; I85-E87 PolarHBondContact O-N 2.73Å; E87-R91 VanDerWaalsContact CG-CZ 3.49Å; E87-R91 VanDerWaalsContact O-CG 3.3Å; E87-R91 WeakPolarHBondContact O-CG 3.49Å; E87-R91 PolarHBondContact O-N 3.37Å; E87-R91 IonicContact OE1-CZ 2.95Å; E87-R91 IonicContact OE1-NH1 2.81Å; E87-R91 PolarHBondContact OE1-NH1 2.63Å; E87-R91 IonicContact OE1-NH2 2.6Å; E87-R91 PolarHBondContact OE1-NH2 2.98Å
88L97.7Very high97.3Very high0 Ų055.2 Ų55.20%028%0.282CS..Hα-helixtrans-65.7-42179.3-164.168.2000111.5I37 I62 A84 I85 D86 R91 H92 I95 I98I37-L88 HydrophobicContact CG1-CD2 4.41Å; I62-L88 HydrophobicContact CD1-CB 3.98Å; I62-L88 HydrophobicContact CD1-CD1 4.03Å; I62-L88 HydrophobicContact CG1-CD1 4.26Å; A84-L88 VanDerWaalsContact O-CB 3.3Å; A84-L88 WeakPolarHBondContact O-CB 2.84Å; A84-L88 PolarHBondContact O-N 3.28Å; I85-L88 WeakPolarHBondContact O-CB 3.45Å; I85-L88 PolarHBondContact O-N 2.99Å; D86-L88 VanDerWaalsContact C-N 3.33Å; D86-L88 PolarHBondContact O-N 3.17Å; L88-R91 PolarHBondContact O-N 3.41Å; L88-H92 PolarHBondContact O-N 2.97Å; L88-I95 HydrophobicContact CD1-CD1 4.22Å; L88-I95 HydrophobicContact CD2-CD1 3.91Å; L88-I95 HydrophobicContact CG-CD1 3.54Å; L88-I98 HydrophobicContact CD2-CD1 3.99Å; L88-I98 HydrophobicContact CD2-CG1 4.08Å; L88-I98 HydrophobicContact CD2-CG2 4.32Å
89L97.4Very high97.5Very high49 Ų4954.9 Ų54.926%0.25728%0.279SS..Hα-helixtrans-75.2-28.8179.2-68.4177.6000113.3P4 I85 D86 R91 H92 D93 I95 I98P4-L89 HydrophobicContact CG-CD1 4.27Å; P4-L89 HydrophobicContact CG-CD2 4.1Å; I85-L89 HydrophobicContact CG2-CD1 3.88Å; I85-L89 HydrophobicContact CG2-CG 4.43Å; I85-L89 WeakPolarHBondContact O-CG 3.41Å; I85-L89 PolarHBondContact O-N 2.83Å; D86-L89 PolarHBondContact O-N 3.15Å; L89-R91 VanDerWaalsContact C-N 3.34Å; L89-H92 CarbonylContact O-C 3.55Å; L89-D93 WeakPolarHBondContact O-CA 3.25Å; L89-D93 PolarHBondContact O-N 3.32Å; L89-I95 HydrophobicContact CD2-CB 4.07Å; L89-I95 HydrophobicContact CD2-CG2 4.42Å; L89-I98 HydrophobicContact CD2-CD1 4.5Å
90E97Very high97.6Very high174 Ų17452.1 Ų52.181%0.81326%0.26SS*.Hα-helixtrans-66-38.5170.7-174.6179.6-176.900111.2D86D86-E90 WeakPolarHBondContact O-CB 3.34Å; D86-E90 PolarHBondContact O-N 3.34Å
91R96.7Very high97.7Very high127 Ų12747.9 Ų47.948%0.47924%0.239SC..Hα-helixtrans-74.9-36.3177.4-69.9171.7179.9162.77.8113.1E87 L88 L89E87-R91 VanDerWaalsContact CG-CZ 3.49Å; E87-R91 VanDerWaalsContact O-CG 3.3Å; E87-R91 WeakPolarHBondContact O-CG 3.49Å; E87-R91 PolarHBondContact O-N 3.37Å; E87-R91 IonicContact OE1-CZ 2.95Å; E87-R91 IonicContact OE1-NH1 2.81Å; E87-R91 PolarHBondContact OE1-NH1 2.63Å; E87-R91 IonicContact OE1-NH2 2.6Å; E87-R91 PolarHBondContact OE1-NH2 2.98Å; L88-R91 PolarHBondContact O-N 3.41Å; L89-R91 VanDerWaalsContact C-N 3.34Å
92H97.3Very high97.6Very high32 Ų3247.9 Ų47.915%0.14824%0.239CC..  trans-142.882.2-168.6-62.4-61.1000109.8S59 R60 L88 L89 D94 I95S59-H92 WeakPolarHBondContact CB-NE2 3.36Å; S59-H92 PolarHBondContact O-CD2 2.91Å; S59-H92 PolarHBondContact O-NE2 3.33Å; S59-H92 PolarHBondContact OG-CE1 2.93Å; S59-H92 PolarHBondContact OG-NE2 3.02Å; R60-H92 VanDerWaalsContact CG-CD2 3.44Å; R60-H92 WeakPolarHBondContact CG-CD2 3.42Å; L88-H92 PolarHBondContact O-N 2.97Å; L89-H92 CarbonylContact O-C 3.55Å; H92-D94 PolarHBondContact O-N 2.94Å; H92-I95 HydrophobicContact CB-CD1 3.55Å; H92-I95 HydrophobicContact CB-CG1 3.8Å; H92-I95 WeakPolarHBondContact O-CG1 3.48Å; H92-I95 PolarHBondContact O-N 2.95Å
93D95.6Very high97.4Very high102 Ų10244.4 Ų44.455%0.54522%0.224SC..THydrogen-bonded Turntrans-70.8-8-178.269.6-8.5000113.7M1 L89M1-D93 HydrophobicContact CE-CB 3.5Å; M1-D93 VanDerWaalsContact CE-CB 3.5Å; M1-D93 VanDerWaalsContact CE-CG 3.41Å; M1-D93 WeakPolarHBondContact CE-OD2 3.44Å; M1-D93 HydrophobicContact SD-CB 4.1Å; L89-D93 WeakPolarHBondContact O-CA 3.25Å; L89-D93 PolarHBondContact O-N 3.32Å
94D96.3Very high96.9Very high76 Ų7642.7 Ų42.741%0.40621%0.212SC..THydrogen-bonded Turntrans-88-6.217870.1-63.4000113.8S33 R60 H92 E96S33-D94 WeakPolarHBondContact CB-O 3.43Å; S33-D94 WeakPolarHBondContact CB-OD2 3.24Å; S33-D94 VanDerWaalsContact OG-CG 3.32Å; S33-D94 PolarHBondContact OG-O 3.27Å; S33-D94 PolarHBondContact OG-OD2 3.01Å; R60-D94 IonicContact CZ-OD1 3.92Å; R60-D94 IonicContact CZ-OD2 3.84Å; R60-D94 IonicContact NH1-OD2 3.94Å; R60-D94 VanDerWaalsContact NH2-CG 3.32Å; R60-D94 IonicContact NH2-OD1 2.92Å; R60-D94 PolarHBondContact NH2-OD1 2.89Å; R60-D94 IonicContact NH2-OD2 2.88Å; R60-D94 PolarHBondContact NH2-OD2 2.88Å; H92-D94 PolarHBondContact O-N 2.94Å; D94-E96 PolarHBondContact O-N 3.33Å
95I97.7Very high96.2Very high7 Ų743.3 Ų43.34%0.03622%0.215CC..  trans-61.8130.2-177.4-72.7171.6000111.7P4 R60 L88 L89 H92 I98P4-I95 HydrophobicContact CB-CG2 4.17Å; R60-I95 VanDerWaalsContact NH1-CG1 3.32Å; L88-I95 HydrophobicContact CD1-CD1 4.22Å; L88-I95 HydrophobicContact CD2-CD1 3.91Å; L88-I95 HydrophobicContact CG-CD1 3.54Å; L89-I95 HydrophobicContact CD2-CB 4.07Å; L89-I95 HydrophobicContact CD2-CG2 4.42Å; H92-I95 HydrophobicContact CB-CD1 3.55Å; H92-I95 HydrophobicContact CB-CG1 3.8Å; H92-I95 WeakPolarHBondContact O-CG1 3.48Å; H92-I95 PolarHBondContact O-N 2.95Å; I95-I98 HydrophobicContact CG2-CD1 4.2Å; I95-I98 HydrophobicContact CG2-CG1 3.6Å
96E97.2Very high95.6Very high102 Ų10247 Ų4748%0.47723%0.234SC..  trans-108.1-27.4-179-63.2171.595.800112.2P4 I5 M32 S33 D94P4-E96 VanDerWaalsContact CA-O 3.25Å; P4-E96 WeakPolarHBondContact CA-O 3.19Å; P4-E96 WeakPolarHBondContact CB-O 3.38Å; I5-E96 PolarHBondContact N-O 3.39Å; M32-E96 WeakPolarHBondContact CA-OE2 3.15Å; M32-E96 WeakPolarHBondContact CB-OE2 3.3Å; M32-E96 HydrophobicContact CE-CB 3.85Å; S33-E96 PolarHBondContact N-OE2 2.93Å; S33-E96 PolarHBondContact O-N 3Å; D94-E96 PolarHBondContact O-N 3.33Å
97L98.1Very high95Very high0 Ų043 Ų430%021%0.213CC..EExtended strand (participates in β ladder)trans-137.5131.5-177.5176.763000110.9I5 I7 L28 M32 S33 I34 G35 F99I5-L97 HydrophobicContact CB-CD1 4.11Å; I5-L97 HydrophobicContact CG2-CD1 4.06Å; I5-L97 CarbonylContact O-C 3.35Å; I5-L97 WeakPolarHBondContact O-CA 3.4Å; I5-L97 WeakPolarHBondContact O-CD1 3.26Å; I7-L97 HydrophobicContact CD1-CD1 3.74Å; I7-L97 HydrophobicContact CG1-CD1 3.83Å; L28-L97 HydrophobicContact CD1-CD2 4.25Å; M32-L97 HydrophobicContact CE-CB 3.79Å; M32-L97 HydrophobicContact CE-CD2 4.41Å; M32-L97 HydrophobicContact SD-CB 4.24Å; M32-L97 HydrophobicContact SD-CD2 3.92Å; S33-L97 PolarHBondContact O-N 3.09Å; I34-L97 CarbonylContact C-O 3.36Å; I34-L97 VanDerWaalsContact CA-O 3.28Å; I34-L97 WeakPolarHBondContact CA-O 3.41Å; I34-L97 HydrophobicContact CD1-CD2 4.32Å; I34-L97 HydrophobicContact CG1-CB 4.33Å; I34-L97 HydrophobicContact CG1-CD2 4.49Å; G35-L97 PolarHBondContact N-O 3.04Å; L97-F99 HydrophobicContact CD2-CE2 3.68Å; L97-F99 HydrophobicContact CD2-CZ 3.78Å; L97-F99 HydrophobicContact CG-CE2 4.09Å; L97-F99 HydrophobicContact CG-CZ 4.37Å
98I98.6Very high94.5Very high0 Ų041.5 Ų41.50%021%0.214CC..EExtended strand (participates in β ladder)trans-119.1126.1174.1-61.1176.8000109.3P4 I5 K6 I7 G35 I37 I85 L88 L89 I95 I100P4-I98 HydrophobicContact CB-CD1 4.22Å; P4-I98 HydrophobicContact CB-CG1 4.13Å; P4-I98 HydrophobicContact CG-CD1 3.67Å; P4-I98 HydrophobicContact CG-CG1 4.14Å; I5-I98 PolarHBondContact O-N 3.4Å; K6-I98 CarbonylContact C-O 3.59Å; K6-I98 WeakPolarHBondContact CA-O 3.38Å; K6-I98 HydrophobicContact CG-CB 4.21Å; I7-I98 PolarHBondContact N-O 2.92Å; G35-I98 WeakPolarHBondContact O-CA 3.16Å; I37-I98 HydrophobicContact CD1-CG2 4.12Å; I37-I98 HydrophobicContact CG1-CG2 4.4Å; I85-I98 HydrophobicContact CG2-CD1 4.12Å; L88-I98 HydrophobicContact CD2-CD1 3.99Å; L88-I98 HydrophobicContact CD2-CG1 4.08Å; L88-I98 HydrophobicContact CD2-CG2 4.32Å; L89-I98 HydrophobicContact CD2-CD1 4.5Å; I95-I98 HydrophobicContact CG2-CD1 4.2Å; I95-I98 HydrophobicContact CG2-CG1 3.6Å; I98-I100 HydrophobicContact CG2-CG1 3.93Å
99F98.8Very high94.1Very high2 Ų241.6 Ų41.61%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-91.5134.3165.1-70.4-77.6000110.2I7 I9 I21 V24 V25 I34 G35 V36 I37 L97 I194I7-F99 HydrophobicContact CB-CD1 3.92Å; I7-F99 HydrophobicContact CB-CE1 3.95Å; I7-F99 HydrophobicContact CD1-CE1 4.08Å; I7-F99 HydrophobicContact CG2-CD1 4.22Å; I7-F99 HydrophobicContact CG2-CE1 4.11Å; I7-F99 WeakPolarHBondContact O-CA 3.12Å; I9-F99 HydrophobicContact CD1-CD1 4.01Å; I9-F99 HydrophobicContact CD1-CE1 4.34Å; I9-F99 HydrophobicContact CG1-CD1 4.03Å; I21-F99 HydrophobicContact CD1-CB 4.47Å; I21-F99 HydrophobicContact CG1-CB 4.45Å; I21-F99 HydrophobicContact CG2-CB 4.41Å; V24-F99 HydrophobicContact CG1-CE1 4.37Å; V24-F99 HydrophobicContact CG1-CE2 4.14Å; V24-F99 HydrophobicContact CG1-CZ 3.58Å; V25-F99 HydrophobicContact CG2-CD2 3.78Å; V25-F99 HydrophobicContact CG2-CE2 3.87Å; I34-F99 HydrophobicContact CG2-CD2 3.94Å; I34-F99 HydrophobicContact CG2-CE2 4.13Å; G35-F99 PolarHBondContact O-N 2.89Å; V36-F99 CarbonylContact C-O 3.56Å; V36-F99 WeakPolarHBondContact CA-O 3.3Å; V36-F99 HydrophobicContact CG1-CB 4.37Å; V36-F99 HydrophobicContact CG2-CB 4.33Å; I37-F99 PolarHBondContact N-O 2.98Å; L97-F99 HydrophobicContact CD2-CE2 3.68Å; L97-F99 HydrophobicContact CD2-CZ 3.78Å; L97-F99 HydrophobicContact CG-CE2 4.09Å; L97-F99 HydrophobicContact CG-CZ 4.37Å; F99-I194 HydrophobicContact CE1-CD1 4.29Å; F99-I194 HydrophobicContact CZ-CD1 4.24Å
100I98.6Very high94Very high0 Ų040.5 Ų40.50%021%0.21CC..EExtended strand (participates in β ladder)trans-119.4103.8175.3-52.5-175.4000108.3I7 G8 I9 I37 N81 I85 I98 F111 L115 V116I7-I100 PolarHBondContact O-N 2.82Å; G8-I100 CarbonylContact C-O 3.57Å; G8-I100 WeakPolarHBondContact CA-O 3.41Å; I9-I100 PolarHBondContact N-O 3.17Å; I37-I100 CarbonylContact O-C 3.47Å; I37-I100 WeakPolarHBondContact O-CA 3.22Å; N81-I100 WeakPolarHBondContact OD1-CG2 3.35Å; I85-I100 HydrophobicContact CD1-CD1 3.9Å; I85-I100 HydrophobicContact CG1-CD1 4.39Å; I98-I100 HydrophobicContact CG2-CG1 3.93Å; I100-F111 HydrophobicContact CB-CE1 4.49Å; I100-F111 HydrophobicContact CG2-CE1 4.19Å; I100-F111 WeakPolarHBondContact O-CZ 3.46Å; I100-L115 HydrophobicContact CD1-CD1 3.75Å; I100-L115 HydrophobicContact CD1-CG 4.04Å; I100-V116 HydrophobicContact CB-CG1 4.46Å; I100-V116 HydrophobicContact CD1-CG1 4.17Å
101E97.9Very high94Very high0 Ų033.3 Ų33.30%018%0.176CC..EExtended strand (participates in β ladder)trans-79.5130.2175.7-160.9-176.2164.100110.4K17 T18 I21 I37 T38 N39K17-E101 HydrophobicContact CB-CG 3.89Å; K17-E101 WeakPolarHBondContact CB-OE1 3.34Å; K17-E101 HydrophobicContact CD-CG 4.4Å; K17-E101 WeakPolarHBondContact CE-OE1 3.25Å; K17-E101 IonicContact NZ-OE1 3.3Å; K17-E101 PolarHBondContact NZ-OE1 2.81Å; T18-E101 WeakPolarHBondContact CA-OE2 3.35Å; T18-E101 PolarHBondContact N-OE1 3.05Å; T18-E101 PolarHBondContact OG1-OE1 2.94Å; T18-E101 VanDerWaalsContact OG1-OE1 3.11Å; T18-E101 PolarHBondContact OG1-OE2 3.09Å; I21-E101 HydrophobicContact CD1-CB 3.58Å; I21-E101 HydrophobicContact CD1-CG 3.81Å; I37-E101 PolarHBondContact O-N 3.29Å; T38-E101 HydrophobicContact CG2-CB 4.31Å; N39-E101 VanDerWaalsContact CB-O 3.29Å; N39-E101 WeakPolarHBondContact CB-O 3.48Å; N39-E101 PolarHBondContact N-O 2.94Å; N39-E101 PolarHBondContact ND2-O 2.95Å
102S96.4Very high94Very high0 Ų027.9 Ų27.90%016%0.157CC..PPolyproline II helixtrans-73.9156.7169.177.70000111.5I9 G10 K17 N39I9-S102 PolarHBondContact O-N 3.41Å; G10-S102 WeakPolarHBondContact CA-OG 3.43Å; K17-S102 WeakPolarHBondContact CE-O 3.22Å; N39-S102 CarbonylContact O-C 3.59Å
103G93.7Very high93.9Very high1 Ų132.2 Ų32.21%0.0119%0.188CC..PPolyproline II helixtrans-57.7159.4158.600000110.8N39 D105N39-G103 WeakPolarHBondContact O-CA 3.32Å; N39-G103 PolarHBondContact O-N 3.47Å; G103-D105 PolarHBondContact O-N 3.39Å
104G87.9Confident94Very high22 Ų2234.7 Ų34.723%0.22720%0.197CC..SBendtrans-64.1125.3179.100000111.9
105D83Confident94Very high17 Ų1731.1 Ų31.19%0.09118%0.177CC..  trans-141.4169-164.8-149.3-21.5000114.5G11 P12 P70 H71 G103 A109G11-D105 PolarHBondContact O-N 3.43Å; P12-D105 WeakPolarHBondContact CA-O 3.38Å; P12-D105 WeakPolarHBondContact CB-O 3.29Å; P12-D105 WeakPolarHBondContact CG-O 3.37Å; P70-D105 HydrophobicContact CB-CB 4.25Å; H71-D105 IonicContact CD2-OD1 3.72Å; H71-D105 IonicContact CD2-OD2 2.69Å; H71-D105 PolarHBondContact CD2-OD2 3.35Å; H71-D105 IonicContact CE1-OD1 2.85Å; H71-D105 PolarHBondContact CE1-OD1 3.3Å; H71-D105 IonicContact CE1-OD2 3.87Å; H71-D105 PolarHBondContact CE1-OD2 2.99Å; H71-D105 IonicContact CG-OD2 2.74Å; H71-D105 VanDerWaalsContact CG-OD2 3.3Å; H71-D105 PolarHBondContact N-OD2 3.21Å; H71-D105 IonicContact ND1-OD1 2.89Å; H71-D105 IonicContact ND1-OD2 3.63Å; H71-D105 IonicContact NE2-OD1 2.86Å; H71-D105 PolarHBondContact NE2-OD1 2.89Å; H71-D105 IonicContact NE2-OD2 3.53Å; H71-D105 PolarHBondContact NE2-OD2 3.07Å; G103-D105 PolarHBondContact O-N 3.39Å; D105-A109 HydrophobicContact CB-CB 3.71Å; D105-A109 VanDerWaalsContact OD2-CB 3.25Å; D105-A109 WeakPolarHBondContact OD2-CB 3.18Å
106N86Confident94Very high91 Ų9131.3 Ų31.349%0.48718%0.179SC..  trans-82.1174.2175.272.248000112.3A108 A109 Y121N106-A108 PolarHBondContact O-N 3.26Å; N106-A108 WeakPolarHBondContact OD1-CA 2.99Å; N106-A108 WeakPolarHBondContact OD1-CB 3.28Å; N106-A108 PolarHBondContact OD1-N 2.64Å; N106-A109 WeakPolarHBondContact O-CB 3.41Å; N106-A109 PolarHBondContact O-N 3.09Å; N106-Y121 VanDerWaalsContact C-OH 3.27Å; N106-Y121 PolarHBondContact O-OH 2.69Å
107L85.2Confident94.1Very high26 Ų2630.4 Ų30.414%0.13618%0.177CC..THydrogen-bonded Turntrans-63.1-7.8-175.5-56.3173.1000115Y121 I123 I131 K134 G136 Q137 G138L107-Y121 VanDerWaalsContact CA-OH 3.3Å; L107-Y121 WeakPolarHBondContact CA-OH 3.15Å; L107-Y121 HydrophobicContact CD2-CE1 4.1Å; L107-I123 HydrophobicContact CD2-CG2 3.98Å; L107-I131 HydrophobicContact CD1-CG2 3.9Å; L107-I131 HydrophobicContact CD2-CG2 3.62Å; L107-I131 HydrophobicContact CG-CG2 4.41Å; L107-K134 HydrophobicContact CD1-CB 3.86Å; L107-K134 HydrophobicContact CD1-CD 3.82Å; L107-K134 HydrophobicContact CD1-CG 4.47Å; L107-G136 CarbonylContact O-C 3.39Å; L107-G136 VanDerWaalsContact O-CA 3.29Å; L107-G136 WeakPolarHBondContact O-CA 3.39Å; L107-Q137 PolarHBondContact O-N 2.85Å; L107-G138 PolarHBondContact O-N 3.33Å
108A87.1Confident94.1Very high44 Ų4433.1 Ų33.136%0.36419%0.189SC..THydrogen-bonded Turntrans-89.1-2.4176.200000113.4R75 N106 T110R75-A108 PolarHBondContact NH1-O 3.11Å; N106-A108 PolarHBondContact O-N 3.26Å; N106-A108 WeakPolarHBondContact OD1-CA 2.99Å; N106-A108 WeakPolarHBondContact OD1-CB 3.28Å; N106-A108 PolarHBondContact OD1-N 2.64Å; A108-T110 PolarHBondContact O-N 3.01Å
109A90.2Very high94.1Very high2 Ų234 Ų342%0.01720%0.196CC..  trans-70.7123.6-177.300000112.6H71 D105 N106 Y121 G138H71-A109 WeakPolarHBondContact CD2-CA 3.31Å; H71-A109 WeakPolarHBondContact NE2-CA 3.48Å; H71-A109 VanDerWaalsContact NE2-CB 3.29Å; H71-A109 WeakPolarHBondContact NE2-CB 3.31Å; H71-A109 PolarHBondContact NE2-N 3.45Å; D105-A109 HydrophobicContact CB-CB 3.71Å; D105-A109 VanDerWaalsContact OD2-CB 3.25Å; D105-A109 WeakPolarHBondContact OD2-CB 3.18Å; N106-A109 WeakPolarHBondContact O-CB 3.41Å; N106-A109 PolarHBondContact O-N 3.09Å; A109-Y121 HydrophobicContact CB-CE2 4.17Å; A109-Y121 WeakPolarHBondContact O-CE2 3.24Å; A109-G138 WeakPolarHBondContact O-CA 3.43Å
110T95.1Very high94.1Very high26 Ų2634 Ų3416%0.1620%0.196CC..  trans-137.8142.7177.458.90000107.8R75 A108 Q137 K141R75-T110 WeakPolarHBondContact CD-O 3.3Å; R75-T110 WeakPolarHBondContact CD-OG1 3.4Å; R75-T110 PolarHBondContact NH1-OG1 2.77Å; A108-T110 PolarHBondContact O-N 3.01Å; T110-Q137 HydrophobicContact CG2-CB 4.01Å; T110-K141 HydrophobicContact CG2-CB 4.45Å; T110-K141 HydrophobicContact CG2-CD 4.28Å
111F96.9Very high94Very high22 Ų2234.3 Ų34.310%0.09620%0.197CC..  trans-75.9153.5174.5-70.4-97.2000111.4I74 I100 L115 V116I74-F111 HydrophobicContact CB-CD1 3.76Å; I74-F111 HydrophobicContact CB-CE1 3.9Å; I74-F111 HydrophobicContact CD1-CD1 4.18Å; I74-F111 HydrophobicContact CD1-CD2 4.36Å; I74-F111 HydrophobicContact CD1-CE1 4.13Å; I74-F111 HydrophobicContact CD1-CE2 4.31Å; I74-F111 HydrophobicContact CD1-CG 4.29Å; I74-F111 HydrophobicContact CD1-CZ 4.19Å; I74-F111 HydrophobicContact CG1-CD1 4.43Å; I74-F111 HydrophobicContact CG2-CD1 4.21Å; I74-F111 HydrophobicContact CG2-CE1 3.83Å; I100-F111 HydrophobicContact CB-CE1 4.49Å; I100-F111 HydrophobicContact CG2-CE1 4.19Å; I100-F111 WeakPolarHBondContact O-CZ 3.46Å; F111-L115 HydrophobicContact CD1-CD2 4.14Å; F111-V116 HydrophobicContact CB-CB 4.4Å; F111-V116 HydrophobicContact CB-CG1 4.16Å; F111-V116 HydrophobicContact CB-CG2 3.36Å; F111-V116 HydrophobicContact CD1-CG1 3.59Å; F111-V116 HydrophobicContact CD1-CG2 4.32Å; F111-V116 HydrophobicContact CE1-CG1 4.22Å; F111-V116 HydrophobicContact CG-CG1 3.99Å; F111-V116 HydrophobicContact CG-CG2 3.85Å
112S96.4Very high94.1Very high14 Ų1434.3 Ų34.310%0.09820%0.197CC..  trans-64135.5164.5177.60000109.5I74 E114 L115 V116I74-S112 PolarHBondContact O-N 2.84Å; S112-E114 PolarHBondContact O-N 2.88Å; S112-E114 VanDerWaalsContact O-N 3.17Å; S112-E114 PolarHBondContact OG-N 2.81Å; S112-E114 VanDerWaalsContact OG-N 3.15Å; S112-L115 PolarHBondContact O-N 2.76Å; S112-V116 PolarHBondContact O-N 2.85Å
113P95.7Very high94.1Very high122 Ų12234.3 Ų34.379%0.79220%0.197SC*.THydrogen-bonded Turntrans-60.3-18.2170.1-21.933.3000113.9
114E96.6Very high94.3Very high155 Ų15534.5 Ų34.572%0.72420%0.198SC*.THydrogen-bonded Turntrans-79.7-22.1174.8-61.7179.7175.100112.1F82 S112F82-E114 HydrophobicContact CZ-CB 4.21Å; S112-E114 PolarHBondContact O-N 2.88Å; S112-E114 VanDerWaalsContact O-N 3.17Å; S112-E114 PolarHBondContact OG-N 2.81Å; S112-E114 VanDerWaalsContact OG-N 3.15Å
115L97.7Very high94.8Very high0 Ų033.5 Ų33.50%019%0.187CC..THydrogen-bonded Turntrans-91.8-41.8-176.1-18059.1000112.6K6 I74 A78 N81 F82 I85 I100 F111 S112K6-L115 WeakPolarHBondContact CD-O 3.42Å; K6-L115 WeakPolarHBondContact CE-O 3.29Å; I74-L115 HydrophobicContact CB-CD2 4.17Å; A78-L115 HydrophobicContact CB-CB 4.32Å; A78-L115 HydrophobicContact CB-CD1 4.32Å; A78-L115 HydrophobicContact CB-CD2 3.99Å; A78-L115 HydrophobicContact CB-CG 4.43Å; N81-L115 HydrophobicContact CB-CD1 3.58Å; N81-L115 HydrophobicContact CB-CD2 4.13Å; F82-L115 HydrophobicContact CD1-CD1 4.18Å; F82-L115 HydrophobicContact CE1-CB 4.44Å; F82-L115 HydrophobicContact CE1-CD1 3.94Å; I85-L115 HydrophobicContact CD1-CD1 3.92Å; I100-L115 HydrophobicContact CD1-CD1 3.75Å; I100-L115 HydrophobicContact CD1-CG 4.04Å; F111-L115 HydrophobicContact CD1-CD2 4.14Å; S112-L115 PolarHBondContact O-N 2.76Å
116V98.2Very high95.4Very high11 Ų1135 Ų357%0.06720%0.202CC..  trans-129.3146.8-176.5-51.60000111.4I100 F111 S112 F118I100-V116 HydrophobicContact CB-CG1 4.46Å; I100-V116 HydrophobicContact CD1-CG1 4.17Å; F111-V116 HydrophobicContact CB-CB 4.4Å; F111-V116 HydrophobicContact CB-CG1 4.16Å; F111-V116 HydrophobicContact CB-CG2 3.36Å; F111-V116 HydrophobicContact CD1-CG1 3.59Å; F111-V116 HydrophobicContact CD1-CG2 4.32Å; F111-V116 HydrophobicContact CE1-CG1 4.22Å; F111-V116 HydrophobicContact CG-CG1 3.99Å; F111-V116 HydrophobicContact CG-CG2 3.85Å; S112-V116 PolarHBondContact O-N 2.85Å; V116-F118 WeakPolarHBondContact CG2-O 3.4Å
117D97.9Very high95.8Very high84 Ų8433.5 Ų33.545%0.44919%0.192SC..SBendtrans-85-35.9176.3-52.9-64.7000110.9K6K6-D117 PolarHBondContact N-OD2 2.8Å; K6-D117 IonicContact NZ-OD1 2.73Å; K6-D117 PolarHBondContact NZ-OD1 2.86Å; K6-D117 IonicContact NZ-OD2 3Å; K6-D117 PolarHBondContact NZ-OD2 2.78Å; K6-D117 PolarHBondContact O-N 3.17Å
118F98.3Very high96.2Very high56 Ų5633.3 Ų33.325%0.24620%0.196CC..EExtended strand (participates in β ladder)trans-135.9161.5176.7-59-84.7000111I5 K6 I7 G8 V116 D143 W193 T198I5-F118 HydrophobicContact CG2-CD2 3.96Å; I5-F118 HydrophobicContact CG2-CE2 4.16Å; K6-F118 PolarHBondContact O-N 3.07Å; K6-F118 VanDerWaalsContact O-N 3.17Å; I7-F118 CarbonylContact C-O 3.53Å; I7-F118 WeakPolarHBondContact CA-O 3.3Å; I7-F118 HydrophobicContact CG1-CB 4.37Å; G8-F118 PolarHBondContact N-O 2.97Å; V116-F118 WeakPolarHBondContact CG2-O 3.4Å; F118-D143 WeakPolarHBondContact CA-OD2 3.23Å; F118-D143 HydrophobicContact CD1-CB 4.47Å; F118-W193 HydrophobicContact CB-CH2 4.19Å; F118-T198 HydrophobicContact CB-CG2 4.11Å; F118-T198 HydrophobicContact CD1-CG2 4.03Å; F118-T198 HydrophobicContact CD2-CG2 3.69Å; F118-T198 HydrophobicContact CE1-CG2 4.35Å; F118-T198 HydrophobicContact CE2-CG2 4.05Å; F118-T198 HydrophobicContact CG-CG2 3.67Å; F118-T198 HydrophobicContact CZ-CG2 4.36Å
119S98.2Very high96.5Very high20 Ų2033.4 Ų33.414%0.1419%0.189CC..EExtended strand (participates in β ladder)trans-140.2136.7179590000113.2G8 S142 D143 F144G8-S119 CarbonylContact O-C 3.59Å; G8-S119 VanDerWaalsContact O-CA 3.31Å; G8-S119 WeakPolarHBondContact O-CA 3.01Å; S119-S142 WeakPolarHBondContact OG-CA 3.41Å; S119-D143 PolarHBondContact N-OD2 3.39Å; S119-D143 PolarHBondContact O-N 3.05Å; S119-D143 PolarHBondContact OG-OD2 2.87Å; S119-D143 VanDerWaalsContact OG-OD2 3.05Å; S119-F144 PolarHBondContact O-N 3.39Å; S119-F144 VanDerWaalsContact O-N 3.1Å
120I98.6Very high96.7Very high2 Ų239.1 Ų39.11%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-108.8128.7168.2-51.2-174.6000107.4I7 G8 I9 G10 L20 F144 V146 V190 W193 I194I7-I120 HydrophobicContact CG2-CD1 4.29Å; I7-I120 HydrophobicContact CG2-CG1 4.03Å; G8-I120 PolarHBondContact O-N 2.6Å; I9-I120 WeakPolarHBondContact CA-O 3.21Å; I9-I120 HydrophobicContact CD1-CB 3.75Å; I9-I120 HydrophobicContact CD1-CD1 3.85Å; I9-I120 HydrophobicContact CD1-CG1 3.91Å; G10-I120 PolarHBondContact N-O 3.14Å; L20-I120 HydrophobicContact CD2-CG2 4.17Å; I120-F144 WeakPolarHBondContact CA-O 3.14Å; I120-F144 HydrophobicContact CG1-CB 4.09Å; I120-F144 HydrophobicContact CG2-CB 4.34Å; I120-F144 HydrophobicContact CG2-CD1 4.23Å; I120-V146 HydrophobicContact CG2-CG2 3.76Å; I120-V190 HydrophobicContact CD1-CG1 4.03Å; I120-W193 HydrophobicContact CD1-CE3 4.17Å; I120-W193 HydrophobicContact CD1-CZ3 3.79Å; I120-W193 HydrophobicContact CG1-CE3 4.39Å; I120-W193 HydrophobicContact CG1-CH2 4.31Å; I120-W193 HydrophobicContact CG1-CZ3 3.67Å; I120-I194 HydrophobicContact CD1-CD1 4.15Å; I120-I194 HydrophobicContact CD1-CG1 4.28Å
121Y98.2Very high96.6Very high5 Ų538.3 Ų38.32%0.0221%0.208CC..EExtended strand (participates in β ladder)trans-109128.7171.4-159.9-91.9000109.9G10 N106 L107 A109 I123 G138 M139 S142 F144 F145 V146G10-Y121 CarbonylContact O-C 3.55Å; G10-Y121 VanDerWaalsContact O-CA 3.31Å; G10-Y121 WeakPolarHBondContact O-CA 3.42Å; N106-Y121 VanDerWaalsContact C-OH 3.27Å; N106-Y121 PolarHBondContact O-OH 2.69Å; L107-Y121 VanDerWaalsContact CA-OH 3.3Å; L107-Y121 WeakPolarHBondContact CA-OH 3.15Å; L107-Y121 HydrophobicContact CD2-CE1 4.1Å; A109-Y121 HydrophobicContact CB-CE2 4.17Å; A109-Y121 WeakPolarHBondContact O-CE2 3.24Å; Y121-I123 HydrophobicContact CD1-CG2 4.21Å; Y121-I123 HydrophobicContact CE1-CG2 3.88Å; Y121-G138 WeakPolarHBondContact CB-O 3.48Å; Y121-G138 VanDerWaalsContact CG-C 3.45Å; Y121-M139 HydrophobicContact CD1-CB 4.42Å; Y121-S142 WeakPolarHBondContact CB-OG 3.33Å; Y121-F144 PolarHBondContact N-O 3.27Å; Y121-F145 HydrophobicContact CD1-CD2 4.28Å; Y121-F145 HydrophobicContact CD1-CE2 4.11Å; Y121-F145 CarbonylContact O-C 3.6Å; Y121-F145 WeakPolarHBondContact O-CA 3.33Å; Y121-F145 WeakPolarHBondContact O-CD2 3.32Å; Y121-V146 PolarHBondContact O-N 3.08Å
122I98.4Very high96.6Very high0 Ų037.3 Ų37.30%020%0.204CC..EExtended strand (participates in β ladder)trans-119.4133.4-177.5-178.3168.3000110.7I9 G10 G11 P12 A15 K17 L20 V146 N148 L181I9-I122 HydrophobicContact CG2-CG2 4.49Å; G10-I122 WeakPolarHBondContact O-CG2 3.46Å; G10-I122 PolarHBondContact O-N 2.81Å; G11-I122 VanDerWaalsContact CA-O 3.28Å; G11-I122 WeakPolarHBondContact CA-O 3.39Å; P12-I122 VanDerWaalsContact CD-O 3.22Å; P12-I122 WeakPolarHBondContact CD-O 3.44Å; A15-I122 HydrophobicContact CB-CG1 4.35Å; A15-I122 HydrophobicContact CB-CG2 4.32Å; K17-I122 HydrophobicContact CB-CG2 4.31Å; K17-I122 HydrophobicContact CD-CG2 4.44Å; K17-I122 HydrophobicContact CG-CG2 3.43Å; K17-I122 VanDerWaalsContact CG-CG2 3.43Å; L20-I122 HydrophobicContact CB-CD1 4.41Å; L20-I122 HydrophobicContact CD2-CD1 4.29Å; I122-V146 WeakPolarHBondContact CA-O 3.43Å; I122-V146 HydrophobicContact CB-CB 4.06Å; I122-V146 HydrophobicContact CD1-CB 4.32Å; I122-V146 HydrophobicContact CD1-CG1 3.91Å; I122-V146 HydrophobicContact CG1-CB 3.97Å; I122-V146 HydrophobicContact CG1-CG1 3.94Å; I122-N148 HydrophobicContact CD1-CB 3.76Å; I122-N148 HydrophobicContact CG1-CB 4.02Å; I122-L181 HydrophobicContact CD1-CD1 4.32Å
123I97.6Very high96.5Very high0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-120.4173.316765.2163000108.8L107 Y121 I131 P132 F145 V146 I147 N148 M163L107-I123 HydrophobicContact CD2-CG2 3.98Å; Y121-I123 HydrophobicContact CD1-CG2 4.21Å; Y121-I123 HydrophobicContact CE1-CG2 3.88Å; I123-I131 HydrophobicContact CB-CG2 4.44Å; I123-I131 HydrophobicContact CD1-CB 4.04Å; I123-I131 HydrophobicContact CD1-CG2 3.51Å; I123-I131 HydrophobicContact CG2-CG2 4.01Å; I123-P132 HydrophobicContact CD1-CG 4.38Å; I123-F145 HydrophobicContact CB-CE2 4.48Å; I123-F145 HydrophobicContact CD1-CE2 4.32Å; I123-F145 HydrophobicContact CD1-CZ 3.62Å; I123-F145 HydrophobicContact CG1-CE2 3.9Å; I123-F145 HydrophobicContact CG1-CZ 3.62Å; I123-F145 HydrophobicContact CG2-CE2 3.98Å; I123-F145 HydrophobicContact CG2-CZ 4.34Å; I123-V146 PolarHBondContact N-O 3.32Å; I123-I147 HydrophobicContact CD1-CG1 4.11Å; I123-I147 HydrophobicContact CD1-CG2 4.3Å; I123-I147 HydrophobicContact CG1-CB 4.35Å; I123-I147 HydrophobicContact CG1-CG1 4.05Å; I123-I147 HydrophobicContact CG1-CG2 4.26Å; I123-N148 PolarHBondContact O-N 2.74Å; I123-M163 HydrophobicContact CD1-CE 3.97Å
124D97.2Very high96.4Very high6 Ų641.5 Ų41.53%0.03221%0.205CC..EExtended strand (participates in β ladder)trans-127.1154.8168.280.674.7000113.5A126 Q127 N148 K149D124-A126 VanDerWaalsContact C-N 3.26Å; D124-A126 PolarHBondContact O-N 3.29Å; D124-A126 WeakPolarHBondContact OD1-CA 3.49Å; D124-A126 VanDerWaalsContact OD1-CB 3.32Å; D124-A126 WeakPolarHBondContact OD1-CB 3.42Å; D124-A126 PolarHBondContact OD1-N 2.86Å; D124-Q127 WeakPolarHBondContact O-CB 3.32Å; D124-Q127 PolarHBondContact O-N 2.94Å; D124-Q127 VanDerWaalsContact O-N 3.17Å; D124-Q127 PolarHBondContact OD1-N 2.85Å; D124-Q127 WeakPolarHBondContact OD2-CG 3.48Å; D124-Q127 PolarHBondContact OD2-NE2 3.31Å; D124-N148 VanDerWaalsContact CA-O 3.26Å; D124-N148 WeakPolarHBondContact CA-O 3.42Å; D124-K149 HydrophobicContact CB-CB 4.2Å; D124-K149 HydrophobicContact CB-CD 3.68Å; D124-K149 HydrophobicContact CB-CG 3.86Å; D124-K149 VanDerWaalsContact CG-NZ 3.31Å; D124-K149 IonicContact OD1-NZ 2.83Å; D124-K149 IonicContact OD2-NZ 3.45Å; D124-K149 PolarHBondContact OD2-NZ 3.21Å
125V97.9Very high96.1Very high0 Ų034.9 Ų34.90%018%0.179CC..G310 helixtrans-58.5-35.4-176.1172.50000112.8Q127 G128 I147 N148 A153 V156 A158 L160 M163V125-Q127 PolarHBondContact O-N 2.83Å; V125-G128 PolarHBondContact O-N 3.48Å; V125-G128 VanDerWaalsContact O-N 3.08Å; V125-I147 HydrophobicContact CG2-CG2 3.91Å; V125-N148 WeakPolarHBondContact CG2-O 3.23Å; V125-N148 PolarHBondContact N-O 2.84Å; V125-A153 HydrophobicContact CG1-CB 3.86Å; V125-V156 HydrophobicContact CG1-CG2 3.95Å; V125-A158 HydrophobicContact CG1-CB 3.63Å; V125-L160 HydrophobicContact CG2-CD2 3.77Å; V125-M163 HydrophobicContact CG1-SD 4.48Å; V125-M163 HydrophobicContact CG2-SD 4.14Å
126A96.6Very high96Very high49 Ų4935.4 Ų35.441%0.40518%0.184SC..G310 helixtrans-72.8-15.8-177.300000113.4D124 G128 L152 V156D124-A126 VanDerWaalsContact C-N 3.26Å; D124-A126 PolarHBondContact O-N 3.29Å; D124-A126 WeakPolarHBondContact OD1-CA 3.49Å; D124-A126 VanDerWaalsContact OD1-CB 3.32Å; D124-A126 WeakPolarHBondContact OD1-CB 3.42Å; D124-A126 PolarHBondContact OD1-N 2.86Å; A126-G128 PolarHBondContact O-N 3.13Å; A126-L152 HydrophobicContact CB-CB 4.49Å; A126-L152 HydrophobicContact CB-CD1 3.8Å; A126-V156 HydrophobicContact CB-CG1 4.05Å
127Q94.1Very high95.8Very high59 Ų5938.7 Ų38.728%0.27620%0.199SC..G310 helixtrans-72.3-14.8171.7-58.5169.8-2400112.3P12 D124 V125 I131P12-Q127 VanDerWaalsContact CB-NE2 3.35Å; D124-Q127 WeakPolarHBondContact O-CB 3.32Å; D124-Q127 PolarHBondContact O-N 2.94Å; D124-Q127 VanDerWaalsContact O-N 3.17Å; D124-Q127 PolarHBondContact OD1-N 2.85Å; D124-Q127 WeakPolarHBondContact OD2-CG 3.48Å; D124-Q127 PolarHBondContact OD2-NE2 3.31Å; V125-Q127 PolarHBondContact O-N 2.83Å; Q127-I131 HydrophobicContact CB-CD1 3.21Å; Q127-I131 HydrophobicContact CG-CD1 4.42Å
128G92.6Very high95.6Very high22 Ų2234.8 Ų34.823%0.22718%0.178CC..  trans120.4137.9166.400000114.2V125 A126 K130 I131V125-G128 PolarHBondContact O-N 3.48Å; V125-G128 VanDerWaalsContact O-N 3.08Å; A126-G128 PolarHBondContact O-N 3.13Å; G128-K130 PolarHBondContact O-N 3.29Å; G128-I131 WeakPolarHBondContact O-CG1 3.42Å; G128-I131 PolarHBondContact O-N 3.09Å
129E95.1Very high95.4Very high46 Ų4632.1 Ų32.122%0.21517%0.167CC..THydrogen-bonded Turntrans-49.2-36.6-179.1-172.7-160.383.300113.6I131 P132 R133 A158 S159 Q162 M163E129-I131 PolarHBondContact O-N 2.9Å; E129-P132 VanDerWaalsContact O-CD 3.24Å; E129-P132 WeakPolarHBondContact O-CD 3.36Å; E129-R133 IonicContact OE1-CZ 3.8Å; E129-R133 IonicContact OE1-NH1 3.19Å; E129-R133 IonicContact OE1-NH2 3.06Å; E129-R133 PolarHBondContact OE1-NH2 2.89Å; E129-A158 HydrophobicContact CB-CB 3.98Å; E129-S159 WeakPolarHBondContact OE2-CB 3.33Å; E129-S159 PolarHBondContact OE2-N 2.85Å; E129-Q162 HydrophobicContact CG-CB 4.26Å; E129-Q162 HydrophobicContact CG-CG 4.27Å; E129-M163 HydrophobicContact CB-CG 4.29Å; E129-M163 HydrophobicContact CG-CG 3.71Å
130K94.5Very high95.3Very high123 Ų12332.8 Ų32.854%0.53517%0.168SC..THydrogen-bonded Turntrans-73.2-3.5-17669.3-177.1175-172.60115.2G128 R133 K134G128-K130 PolarHBondContact O-N 3.29Å; K130-R133 WeakPolarHBondContact O-CB 3.41Å; K130-R133 PolarHBondContact O-N 2.6Å; K130-R133 VanDerWaalsContact O-N 3.1Å; K130-K134 PolarHBondContact O-N 3.3Å
131I93.1Very high95.1Very high9 Ų938.5 Ų38.55%0.04619%0.193CC..THydrogen-bonded Turntrans-57.3-46.1-175.3-79.1177.4000112.5L107 I123 Q127 G128 E129 R133 K134L107-I131 HydrophobicContact CD1-CG2 3.9Å; L107-I131 HydrophobicContact CD2-CG2 3.62Å; L107-I131 HydrophobicContact CG-CG2 4.41Å; I123-I131 HydrophobicContact CB-CG2 4.44Å; I123-I131 HydrophobicContact CD1-CB 4.04Å; I123-I131 HydrophobicContact CD1-CG2 3.51Å; I123-I131 HydrophobicContact CG2-CG2 4.01Å; Q127-I131 HydrophobicContact CB-CD1 3.21Å; Q127-I131 HydrophobicContact CG-CD1 4.42Å; G128-I131 WeakPolarHBondContact O-CG1 3.42Å; G128-I131 PolarHBondContact O-N 3.09Å; E129-I131 PolarHBondContact O-N 2.9Å; I131-R133 PolarHBondContact O-N 3.32Å; I131-K134 WeakPolarHBondContact O-CB 3.29Å; I131-K134 PolarHBondContact O-N 2.84Å
132P95.2Very high95Very high0 Ų038.4 Ų38.40%019%0.193CC..G310 helixtrans-59-35.5176.5-25.936.6000113.1I123 E129 K134 G135 M139 M163 D166 T167 F170I123-P132 HydrophobicContact CD1-CG 4.38Å; E129-P132 VanDerWaalsContact O-CD 3.24Å; E129-P132 WeakPolarHBondContact O-CD 3.36Å; P132-K134 PolarHBondContact O-N 3.17Å; P132-G135 PolarHBondContact O-N 3.37Å; P132-G135 VanDerWaalsContact O-N 3.12Å; P132-M139 VanDerWaalsContact CA-SD 3.51Å; P132-M139 HydrophobicContact CB-SD 3.85Å; P132-M139 HydrophobicContact CG-SD 4.48Å; P132-M139 WeakPolarHBondContact O-CE 3.28Å; P132-M163 HydrophobicContact CG-CE 4.43Å; P132-D166 HydrophobicContact CB-CB 3.73Å; P132-T167 WeakPolarHBondContact CB-OG1 3.06Å; P132-F170 WeakPolarHBondContact O-CD2 3.26Å
133R94.6Very high95Very high98 Ų9841.2 Ų41.237%0.3721%0.208SC..G310 helixtrans-66.2-18.5174.2-62.3-170.1-72.2-103.51.6115.1E129 K130 I131 G135 D166 F170E129-R133 IonicContact OE1-CZ 3.8Å; E129-R133 IonicContact OE1-NH1 3.19Å; E129-R133 IonicContact OE1-NH2 3.06Å; E129-R133 PolarHBondContact OE1-NH2 2.89Å; K130-R133 WeakPolarHBondContact O-CB 3.41Å; K130-R133 PolarHBondContact O-N 2.6Å; K130-R133 VanDerWaalsContact O-N 3.1Å; I131-R133 PolarHBondContact O-N 3.32Å; R133-G135 PolarHBondContact O-N 3.03Å; R133-D166 VanDerWaalsContact CD-OD1 3.32Å; R133-D166 WeakPolarHBondContact CD-OD1 3.46Å; R133-D166 WeakPolarHBondContact CD-OD2 3.25Å; R133-D166 HydrophobicContact CG-CB 3.73Å; R133-D166 WeakPolarHBondContact CG-OD1 3.15Å; R133-D166 WeakPolarHBondContact CG-OD2 3.35Å; R133-D166 IonicContact CZ-OD2 3.37Å; R133-D166 IonicContact NE-OD2 3.63Å; R133-D166 IonicContact NH1-OD1 3.52Å; R133-D166 IonicContact NH1-OD2 2.9Å; R133-D166 PolarHBondContact NH1-OD2 3Å; R133-F170 HydrophobicContact CB-CE2 4.32Å; R133-F170 HydrophobicContact CG-CE2 4.45Å; R133-F170 WeakPolarHBondContact O-CZ 3.43Å
134K93.9Very high95.1Very high127 Ų12741.5 Ų41.555%0.55221%0.21SC*.G310 helixtrans-72.8-12.5174.9-65.4-177.6177.61780112.3L107 K130 I131 P132 G136L107-K134 HydrophobicContact CD1-CB 3.86Å; L107-K134 HydrophobicContact CD1-CD 3.82Å; L107-K134 HydrophobicContact CD1-CG 4.47Å; K130-K134 PolarHBondContact O-N 3.3Å; I131-K134 WeakPolarHBondContact O-CB 3.29Å; I131-K134 PolarHBondContact O-N 2.84Å; P132-K134 PolarHBondContact O-N 3.17Å; K134-G136 VanDerWaalsContact C-N 3.3Å; K134-G136 PolarHBondContact O-N 2.93Å
135G91.3Very high95.1Very high16 Ų1641.2 Ų41.217%0.16521%0.208CC..  trans60.336.1171.400000114.1P132 R133 I140P132-G135 PolarHBondContact O-N 3.37Å; P132-G135 VanDerWaalsContact O-N 3.12Å; R133-G135 PolarHBondContact O-N 3.03Å; G135-I140 VanDerWaalsContact O-CD1 3.24Å; G135-I140 WeakPolarHBondContact O-CD1 3.43Å
136G94Very high95.2Very high11 Ų1141.2 Ų41.211%0.11321%0.208CC..  trans-65.8144.4-178.800000113.1L107 K134 G138 M139 I140L107-G136 CarbonylContact O-C 3.39Å; L107-G136 VanDerWaalsContact O-CA 3.29Å; L107-G136 WeakPolarHBondContact O-CA 3.39Å; K134-G136 VanDerWaalsContact C-N 3.3Å; K134-G136 PolarHBondContact O-N 2.93Å; G136-G138 VanDerWaalsContact C-N 3.33Å; G136-G138 PolarHBondContact O-N 3.01Å; G136-M139 PolarHBondContact O-N 2.95Å; G136-I140 WeakPolarHBondContact O-CG1 3.36Å; G136-I140 PolarHBondContact O-N 2.72Å
137Q94.4Very high95.3Very high79 Ų7938.9 Ų38.937%0.36919%0.189SC..Hα-helixtrans-65.3-33.2-174.8-64.5-58.6-63.300113.5L107 T110 I140 K141L107-Q137 PolarHBondContact O-N 2.85Å; T110-Q137 HydrophobicContact CG2-CB 4.01Å; Q137-I140 PolarHBondContact O-N 3.25Å; Q137-K141 VanDerWaalsContact O-CB 3.23Å; Q137-K141 WeakPolarHBondContact O-CB 3.41Å; Q137-K141 PolarHBondContact O-N 3.25Å
138G93.8Very high95.5Very high2 Ų236.1 Ų36.12%0.02118%0.176CC..Hα-helixtrans-59.3-49.2174.100000111.3L107 A109 Y121 G136 S142L107-G138 PolarHBondContact O-N 3.33Å; A109-G138 WeakPolarHBondContact O-CA 3.43Å; Y121-G138 WeakPolarHBondContact CB-O 3.48Å; Y121-G138 VanDerWaalsContact CG-C 3.45Å; G136-G138 VanDerWaalsContact C-N 3.33Å; G136-G138 PolarHBondContact O-N 3.01Å; G138-S142 VanDerWaalsContact O-CB 3.22Å; G138-S142 WeakPolarHBondContact O-CB 3.36Å; G138-S142 PolarHBondContact O-N 3.1Å; G138-S142 VanDerWaalsContact O-N 3.13Å; G138-S142 PolarHBondContact O-OG 2.8Å
139M95Very high95.8Very high1 Ų137.2 Ų37.21%0.00517%0.174CC..Hα-helixtrans-63.9-40.7173.3177.8-163.375.400112.6Y121 P132 G136 F145 F170 R171Y121-M139 HydrophobicContact CD1-CB 4.42Å; P132-M139 VanDerWaalsContact CA-SD 3.51Å; P132-M139 HydrophobicContact CB-SD 3.85Å; P132-M139 HydrophobicContact CG-SD 4.48Å; P132-M139 WeakPolarHBondContact O-CE 3.28Å; G136-M139 PolarHBondContact O-N 2.95Å; M139-F145 HydrophobicContact CB-CD2 4.21Å; M139-F145 HydrophobicContact CB-CE2 3.94Å; M139-F145 HydrophobicContact CB-CZ 4.3Å; M139-F145 HydrophobicContact CG-CD1 4.01Å; M139-F145 HydrophobicContact CG-CD2 3.79Å; M139-F145 HydrophobicContact CG-CE1 3.76Å; M139-F145 HydrophobicContact CG-CE2 3.58Å; M139-F145 HydrophobicContact CG-CG 4.02Å; M139-F145 HydrophobicContact CG-CZ 3.54Å; M139-F145 HydrophobicContact SD-CE1 4Å; M139-F145 HydrophobicContact SD-CE2 4.48Å; M139-F145 HydrophobicContact SD-CZ 3.9Å; M139-F170 HydrophobicContact CE-CB 3.58Å; M139-F170 HydrophobicContact CE-CG 4.26Å; M139-R171 HydrophobicContact CG-CG 4.36Å; M139-R171 WeakPolarHBondContact O-CD 3.24Å; M139-R171 PolarHBondContact O-NH1 3.22Å
140I95.6Very high95.9Very high34 Ų3435.8 Ų35.817%0.17417%0.169CC..Hα-helixtrans-77-38-173.5-69.8176.1000112.1G135 G136 Q137 F170 R174G135-I140 VanDerWaalsContact O-CD1 3.24Å; G135-I140 WeakPolarHBondContact O-CD1 3.43Å; G136-I140 WeakPolarHBondContact O-CG1 3.36Å; G136-I140 PolarHBondContact O-N 2.72Å; Q137-I140 PolarHBondContact O-N 3.25Å; I140-F170 HydrophobicContact CD1-CB 4.46Å; I140-F170 HydrophobicContact CD1-CD1 4.25Å; I140-F170 HydrophobicContact CG1-CB 4.36Å; I140-R174 PolarHBondContact O-NH1 3.32Å
141K94Very high96.1Very high121 Ų12132.2 Ų32.253%0.52616%0.155SC..Hα-helixtrans-93.5-19-171.3-67.9-175.4167.5176.30113.9T110 Q137T110-K141 HydrophobicContact CG2-CB 4.45Å; T110-K141 HydrophobicContact CG2-CD 4.28Å; Q137-K141 VanDerWaalsContact O-CB 3.23Å; Q137-K141 WeakPolarHBondContact O-CB 3.41Å; Q137-K141 PolarHBondContact O-N 3.25Å
142S97.1Very high96.3Very high4 Ų433.8 Ų33.83%0.02816%0.164CC..  trans-62145.3177.368.20000112S119 Y121 G138 F144 R171S119-S142 WeakPolarHBondContact OG-CA 3.41Å; Y121-S142 WeakPolarHBondContact CB-OG 3.33Å; G138-S142 VanDerWaalsContact O-CB 3.22Å; G138-S142 WeakPolarHBondContact O-CB 3.36Å; G138-S142 PolarHBondContact O-N 3.1Å; G138-S142 VanDerWaalsContact O-N 3.13Å; G138-S142 PolarHBondContact O-OG 2.8Å; S142-F144 VanDerWaalsContact C-N 3.34Å; S142-F144 VanDerWaalsContact CB-O 3.28Å; S142-F144 WeakPolarHBondContact CB-O 3.43Å; S142-F144 PolarHBondContact OG-O 2.86Å; S142-R171 PolarHBondContact O-NH1 3.13Å; S142-R171 PolarHBondContact O-NH2 3.01Å; S142-R171 PolarHBondContact OG-NH1 2.98Å
143D98.1Very high96.5Very high58 Ų5834.2 Ų34.231%0.3117%0.167SC..SBendtrans-67.6-40.6179.7-53.6-75.1000110.2F118 S119 R171 P175 W193F118-D143 WeakPolarHBondContact CA-OD2 3.23Å; F118-D143 HydrophobicContact CD1-CB 4.47Å; S119-D143 PolarHBondContact N-OD2 3.39Å; S119-D143 PolarHBondContact O-N 3.05Å; S119-D143 PolarHBondContact OG-OD2 2.87Å; S119-D143 VanDerWaalsContact OG-OD2 3.05Å; D143-R171 PolarHBondContact O-NH2 2.93Å; D143-P175 WeakPolarHBondContact O-CD 3.41Å; D143-P175 WeakPolarHBondContact O-CG 3.33Å; D143-W193 HydrophobicContact CB-CH2 3.89Å; D143-W193 HydrophobicContact CB-CZ2 3.53Å
144F98.5Very high96.6Very high7 Ų734.7 Ų34.73%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-122.5150.2170.7-155.6-108.4000111.9S119 I120 Y121 S142 V146 P175 T177 V190 W193S119-F144 PolarHBondContact O-N 3.39Å; S119-F144 VanDerWaalsContact O-N 3.1Å; I120-F144 WeakPolarHBondContact CA-O 3.14Å; I120-F144 HydrophobicContact CG1-CB 4.09Å; I120-F144 HydrophobicContact CG2-CB 4.34Å; I120-F144 HydrophobicContact CG2-CD1 4.23Å; Y121-F144 PolarHBondContact N-O 3.27Å; S142-F144 VanDerWaalsContact C-N 3.34Å; S142-F144 VanDerWaalsContact CB-O 3.28Å; S142-F144 WeakPolarHBondContact CB-O 3.43Å; S142-F144 PolarHBondContact OG-O 2.86Å; F144-V146 HydrophobicContact CD1-CG2 3.78Å; F144-V146 HydrophobicContact CE1-CG2 3.86Å; F144-P175 HydrophobicContact CD2-CB 3.78Å; F144-P175 HydrophobicContact CD2-CG 3.73Å; F144-P175 HydrophobicContact CE2-CB 3.79Å; F144-P175 HydrophobicContact CE2-CG 4.25Å; F144-T177 HydrophobicContact CE1-CG2 3.65Å; F144-T177 HydrophobicContact CZ-CG2 3.81Å; F144-V190 HydrophobicContact CE1-CB 4.36Å; F144-V190 HydrophobicContact CE1-CG1 4.45Å; F144-V190 HydrophobicContact CE1-CG2 3.96Å; F144-W193 HydrophobicContact CB-CD2 3.62Å; F144-W193 HydrophobicContact CB-CE3 3.64Å; F144-W193 HydrophobicContact CB-CG 4.35Å; F144-W193 HydrophobicContact CB-CH2 3.84Å; F144-W193 HydrophobicContact CB-CZ2 3.83Å; F144-W193 HydrophobicContact CB-CZ3 3.76Å; F144-W193 HydrophobicContact CD1-CE3 4.46Å; F144-W193 HydrophobicContact CD2-CB 3.78Å; F144-W193 AromaticContact CD2-CD1 3.41Å; F144-W193 VanDerWaalsContact CD2-CD1 3.41Å; F144-W193 AromaticContact CD2-CD2 3.4Å; F144-W193 HydrophobicContact CD2-CD2 3.4Å; F144-W193 AromaticContact CD2-CE2 3.77Å; F144-W193 HydrophobicContact CD2-CE3 4.09Å; F144-W193 AromaticContact CD2-CG 3.18Å; F144-W193 HydrophobicContact CD2-CG 3.18Å; F144-W193 AromaticContact CD2-NE1 3.72Å; F144-W193 HydrophobicContact CE2-CB 3.55Å; F144-W193 AromaticContact CE2-CD1 3.77Å; F144-W193 HydrophobicContact CE2-CD2 4.15Å; F144-W193 AromaticContact CE2-CG 3.48Å; F144-W193 HydrophobicContact CE2-CG 3.48Å; F144-W193 VanDerWaalsContact CE2-CG 3.48Å; F144-W193 HydrophobicContact CG-CB 4.47Å; F144-W193 AromaticContact CG-CD2 3.63Å; F144-W193 HydrophobicContact CG-CD2 3.63Å; F144-W193 AromaticContact CG-CE3 3.84Å; F144-W193 HydrophobicContact CG-CE3 3.84Å; F144-W193 AromaticContact CG-CG 3.89Å; F144-W193 HydrophobicContact CG-CG 3.89Å; F144-W193 HydrophobicContact CG-CZ3 4.45Å; F144-W193 HydrophobicContact CZ-CB 4.09Å; F144-W193 HydrophobicContact CZ-CG 4.38Å
145F98.4Very high96.8Very high0 Ų037.7 Ų37.70%019%0.192CC..EExtended strand (participates in β ladder)trans-130.7136.1178.8177.1-120.9000110.9Y121 I123 M139 I147 T167 R171 P175 F176 T177Y121-F145 HydrophobicContact CD1-CD2 4.28Å; Y121-F145 HydrophobicContact CD1-CE2 4.11Å; Y121-F145 CarbonylContact O-C 3.6Å; Y121-F145 WeakPolarHBondContact O-CA 3.33Å; Y121-F145 WeakPolarHBondContact O-CD2 3.32Å; I123-F145 HydrophobicContact CB-CE2 4.48Å; I123-F145 HydrophobicContact CD1-CE2 4.32Å; I123-F145 HydrophobicContact CD1-CZ 3.62Å; I123-F145 HydrophobicContact CG1-CE2 3.9Å; I123-F145 HydrophobicContact CG1-CZ 3.62Å; I123-F145 HydrophobicContact CG2-CE2 3.98Å; I123-F145 HydrophobicContact CG2-CZ 4.34Å; M139-F145 HydrophobicContact CB-CD2 4.21Å; M139-F145 HydrophobicContact CB-CE2 3.94Å; M139-F145 HydrophobicContact CB-CZ 4.3Å; M139-F145 HydrophobicContact CG-CD1 4.01Å; M139-F145 HydrophobicContact CG-CD2 3.79Å; M139-F145 HydrophobicContact CG-CE1 3.76Å; M139-F145 HydrophobicContact CG-CE2 3.58Å; M139-F145 HydrophobicContact CG-CG 4.02Å; M139-F145 HydrophobicContact CG-CZ 3.54Å; M139-F145 HydrophobicContact SD-CE1 4Å; M139-F145 HydrophobicContact SD-CE2 4.48Å; M139-F145 HydrophobicContact SD-CZ 3.9Å; F145-I147 HydrophobicContact CD1-CG1 4.23Å; F145-I147 HydrophobicContact CE1-CD1 3.79Å; F145-I147 HydrophobicContact CE1-CG1 3.51Å; F145-I147 HydrophobicContact CZ-CD1 4.39Å; F145-I147 HydrophobicContact CZ-CG1 3.81Å; F145-T167 HydrophobicContact CD1-CG2 3.6Å; F145-T167 HydrophobicContact CE1-CG2 3.75Å; F145-R171 VanDerWaalsContact CB-CZ 3.48Å; F145-P175 PolarHBondContact N-O 2.96Å; F145-F176 HydrophobicContact CB-CB 3.79Å; F145-F176 HydrophobicContact CD1-CB 3.78Å; F145-F176 HydrophobicContact CD1-CG 4.38Å; F145-F176 HydrophobicContact CG-CB 4.25Å; F145-F176 CarbonylContact O-C 3.58Å; F145-F176 WeakPolarHBondContact O-CA 3.43Å; F145-F176 VanDerWaalsContact O-CB 3.24Å; F145-F176 WeakPolarHBondContact O-CB 3.22Å; F145-T177 PolarHBondContact O-N 2.61Å
146V98.7Very high97.1Very high0 Ų040.4 Ų40.40%021%0.205CC..EExtended strand (participates in β ladder)trans-124.2129.7-176.1179.90000109.9L20 I120 Y121 I122 I123 F144 N148 T177 T179 V190L20-V146 HydrophobicContact CD2-CG2 4.49Å; I120-V146 HydrophobicContact CG2-CG2 3.76Å; Y121-V146 PolarHBondContact O-N 3.08Å; I122-V146 WeakPolarHBondContact CA-O 3.43Å; I122-V146 HydrophobicContact CB-CB 4.06Å; I122-V146 HydrophobicContact CD1-CB 4.32Å; I122-V146 HydrophobicContact CD1-CG1 3.91Å; I122-V146 HydrophobicContact CG1-CB 3.97Å; I122-V146 HydrophobicContact CG1-CG1 3.94Å; I123-V146 PolarHBondContact N-O 3.32Å; F144-V146 HydrophobicContact CD1-CG2 3.78Å; F144-V146 HydrophobicContact CE1-CG2 3.86Å; V146-N148 HydrophobicContact CG1-CB 4.35Å; V146-T177 WeakPolarHBondContact CA-O 3.41Å; V146-T179 HydrophobicContact CG1-CG2 3.67Å; V146-T179 WeakPolarHBondContact CG1-OG1 3.41Å; V146-V190 HydrophobicContact CG2-CG2 4.12Å
147I98.6Very high97.2Very high0 Ų043.1 Ų43.10%023%0.234CC..EExtended strand (participates in β ladder)trans-109.499.9169.8-53.1176000107.8I123 V125 F145 M163 F176 T177 F178 T179I123-I147 HydrophobicContact CD1-CG1 4.11Å; I123-I147 HydrophobicContact CD1-CG2 4.3Å; I123-I147 HydrophobicContact CG1-CB 4.35Å; I123-I147 HydrophobicContact CG1-CG1 4.05Å; I123-I147 HydrophobicContact CG1-CG2 4.26Å; V125-I147 HydrophobicContact CG2-CG2 3.91Å; F145-I147 HydrophobicContact CD1-CG1 4.23Å; F145-I147 HydrophobicContact CE1-CD1 3.79Å; F145-I147 HydrophobicContact CE1-CG1 3.51Å; F145-I147 HydrophobicContact CZ-CD1 4.39Å; F145-I147 HydrophobicContact CZ-CG1 3.81Å; I147-M163 HydrophobicContact CD1-CB 4.24Å; I147-M163 HydrophobicContact CD1-CE 4.41Å; I147-M163 HydrophobicContact CG2-CE 3.53Å; I147-M163 HydrophobicContact CG2-SD 4.18Å; I147-F176 HydrophobicContact CD1-CD2 4.35Å; I147-F176 HydrophobicContact CD1-CE2 4.42Å; I147-T177 PolarHBondContact N-O 3.26Å; I147-F178 HydrophobicContact CB-CD1 3.68Å; I147-F178 HydrophobicContact CB-CE1 3.82Å; I147-F178 HydrophobicContact CD1-CD1 4.29Å; I147-F178 HydrophobicContact CD1-CE1 3.62Å; I147-F178 HydrophobicContact CD1-CZ 3.97Å; I147-F178 HydrophobicContact CG1-CE1 4.3Å; I147-F178 HydrophobicContact CG2-CD1 3.87Å; I147-F178 HydrophobicContact CG2-CE1 3.79Å; I147-F178 CarbonylContact O-C 3.49Å; I147-F178 WeakPolarHBondContact O-CA 3.42Å; I147-T179 PolarHBondContact O-N 3.24Å
148N98.7Very high97.4Very high1 Ų140 Ų401%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-93169.4-173-172.727.6000113.1A15 I122 I123 D124 V125 V146 T179 L181A15-N148 PolarHBondContact O-ND2 3.26Å; I122-N148 HydrophobicContact CD1-CB 3.76Å; I122-N148 HydrophobicContact CG1-CB 4.02Å; I123-N148 PolarHBondContact O-N 2.74Å; D124-N148 VanDerWaalsContact CA-O 3.26Å; D124-N148 WeakPolarHBondContact CA-O 3.42Å; V125-N148 WeakPolarHBondContact CG2-O 3.23Å; V125-N148 PolarHBondContact N-O 2.84Å; V146-N148 HydrophobicContact CG1-CB 4.35Å; N148-T179 CarbonylContact C-O 3.57Å; N148-T179 VanDerWaalsContact CA-O 3.3Å; N148-T179 WeakPolarHBondContact CA-O 3.33Å; N148-T179 VanDerWaalsContact CA-OG1 3.26Å; N148-T179 WeakPolarHBondContact CA-OG1 3.29Å; N148-T179 VanDerWaalsContact CB-OG1 3.29Å; N148-T179 WeakPolarHBondContact CB-OG1 3.24Å; N148-T179 PolarHBondContact OD1-O 3.19Å; N148-T179 PolarHBondContact OD1-OG1 3.25Å; N148-T179 VanDerWaalsContact OD1-OG1 3.13Å; N148-L181 WeakPolarHBondContact OD1-CG 3.25Å; N148-L181 PolarHBondContact OD1-N 2.98Å
149K98.4Very high97.6Very high44 Ų4442.2 Ų42.219%0.19124%0.237CC..  trans6146.3178.6-47.3-178-165.41590112.7G14 D124 D151 L152 T179G14-K149 WeakPolarHBondContact O-CE 3.17Å; G14-K149 PolarHBondContact O-NZ 2.96Å; D124-K149 HydrophobicContact CB-CB 4.2Å; D124-K149 HydrophobicContact CB-CD 3.68Å; D124-K149 HydrophobicContact CB-CG 3.86Å; D124-K149 VanDerWaalsContact CG-NZ 3.31Å; D124-K149 IonicContact OD1-NZ 2.83Å; D124-K149 IonicContact OD2-NZ 3.45Å; D124-K149 PolarHBondContact OD2-NZ 3.21Å; K149-D151 VanDerWaalsContact CA-OD1 3.25Å; K149-D151 WeakPolarHBondContact CA-OD1 3.25Å; K149-D151 PolarHBondContact O-N 3.41Å; K149-D151 VanDerWaalsContact O-N 3.16Å; K149-L152 HydrophobicContact CB-CD1 3.85Å; K149-L152 HydrophobicContact CB-CG 4.03Å; K149-L152 HydrophobicContact CD-CD1 3.76Å; K149-L152 HydrophobicContact CG-CD1 4.46Å; K149-L152 WeakPolarHBondContact O-CB 3.4Å; K149-L152 PolarHBondContact O-N 3.19Å; K149-T179 PolarHBondContact N-O 3.38Å
150T98.5Very high97.7Very high17 Ų1745 Ų4510%0.10425%0.251CS..G310 helixtrans-58-25.1177.155.40000112.9L152 A153 L160 F178 T179T150-L152 PolarHBondContact O-N 2.96Å; T150-L152 VanDerWaalsContact O-N 3.15Å; T150-A153 WeakPolarHBondContact O-CB 3.37Å; T150-A153 PolarHBondContact O-N 3.24Å; T150-A153 VanDerWaalsContact O-N 3.16Å; T150-L160 HydrophobicContact CG2-CD1 4.19Å; T150-L160 HydrophobicContact CG2-CD2 4.14Å; T150-F178 HydrophobicContact CG2-CB 3.73Å; T150-F178 HydrophobicContact CG2-CD1 3.86Å; T150-F178 HydrophobicContact CG2-CG 4.19Å; T150-T179 WeakPolarHBondContact CG2-O 3.31Å; T150-T179 PolarHBondContact N-O 3.1Å; T150-T179 PolarHBondContact OG1-O 3.12Å
151D98.2Very high97.8Very high47 Ų4750.1 Ų50.125%0.25127%0.274SS..G310 helixtrans-56.5-25.9171.761.7-48.2000113.4K149 Y155 K182K149-D151 VanDerWaalsContact CA-OD1 3.25Å; K149-D151 WeakPolarHBondContact CA-OD1 3.25Å; K149-D151 PolarHBondContact O-N 3.41Å; K149-D151 VanDerWaalsContact O-N 3.16Å; D151-Y155 WeakPolarHBondContact O-CD2 3.3Å; D151-Y155 VanDerWaalsContact O-CE2 3.31Å; D151-Y155 WeakPolarHBondContact O-CE2 3.23Å; D151-K182 IonicContact OD2-NZ 2.72Å; D151-K182 PolarHBondContact OD2-NZ 3.25Å
152L98.2Very high98Very high43 Ų4347.2 Ų47.223%0.22526%0.263CS..G310 helixtrans-82.7-13.6-177.8-59.6-175.6000113.8A126 K149 T150 Y155 V156A126-L152 HydrophobicContact CB-CB 4.49Å; A126-L152 HydrophobicContact CB-CD1 3.8Å; K149-L152 HydrophobicContact CB-CD1 3.85Å; K149-L152 HydrophobicContact CB-CG 4.03Å; K149-L152 HydrophobicContact CD-CD1 3.76Å; K149-L152 HydrophobicContact CG-CD1 4.46Å; K149-L152 WeakPolarHBondContact O-CB 3.4Å; K149-L152 PolarHBondContact O-N 3.19Å; T150-L152 PolarHBondContact O-N 2.96Å; T150-L152 VanDerWaalsContact O-N 3.15Å; L152-Y155 PolarHBondContact O-N 3.15Å; L152-V156 WeakPolarHBondContact O-CG2 3.42Å; L152-V156 PolarHBondContact O-N 3.49Å
153A98.1Very high98.1Very high8 Ų847 Ų477%0.06626%0.261CS..Hα-helixtrans-53-46.5-173.400000114.2V125 T150 Y155 V156 G157 A158 L160V125-A153 HydrophobicContact CG1-CB 3.86Å; T150-A153 WeakPolarHBondContact O-CB 3.37Å; T150-A153 PolarHBondContact O-N 3.24Å; T150-A153 VanDerWaalsContact O-N 3.16Å; A153-Y155 PolarHBondContact O-N 3.25Å; A153-V156 PolarHBondContact O-N 2.95Å; A153-G157 PolarHBondContact O-N 2.96Å; A153-G157 VanDerWaalsContact O-N 3.14Å; A153-A158 PolarHBondContact O-N 3.16Å; A153-A158 VanDerWaalsContact O-N 3.14Å; A153-L160 HydrophobicContact CB-CD1 4.48Å; A153-L160 HydrophobicContact CB-CD2 3.96Å; A153-L160 HydrophobicContact CB-CG 4.01Å
154P97.4Very high98.1Very high108 Ų10844.9 Ų44.970%0.70125%0.252SS*.Hα-helixtrans-65.4-24.9178.7-20.834.7000113.7
155Y97.8Very high98.1Very high191 Ų19149.1 Ų49.175%0.74927%0.271SS*.Hα-helixtrans-89.3-20.1-174.6-56.2-79.5000113.3D151 L152 A153D151-Y155 WeakPolarHBondContact O-CD2 3.3Å; D151-Y155 VanDerWaalsContact O-CE2 3.31Å; D151-Y155 WeakPolarHBondContact O-CE2 3.23Å; L152-Y155 PolarHBondContact O-N 3.15Å; A153-Y155 PolarHBondContact O-N 3.25Å
156V97.5Very high98Very high72 Ų7249.9 Ų49.944%0.43628%0.275SS..Hα-helixtrans-112.22.7179-56.10000113.2V125 A126 L152 A153 A158V125-V156 HydrophobicContact CG1-CG2 3.95Å; A126-V156 HydrophobicContact CB-CG1 4.05Å; L152-V156 WeakPolarHBondContact O-CG2 3.42Å; L152-V156 PolarHBondContact O-N 3.49Å; A153-V156 PolarHBondContact O-N 2.95Å; V156-A158 HydrophobicContact CG2-CB 3.85Å
157G96.3Very high98Very high69 Ų6949.9 Ų49.971%0.71128%0.275SS*.THydrogen-bonded Turntrans66.634.6179.500000113.3A153A153-G157 PolarHBondContact O-N 2.96Å; A153-G157 VanDerWaalsContact O-N 3.14Å
158A97.4Very high97.9Very high14 Ų1455.8 Ų55.812%0.11630%0.301CS..  trans-97.1135.8177.800000111.2V125 E129 A153 V156V125-A158 HydrophobicContact CG1-CB 3.63Å; E129-A158 HydrophobicContact CB-CB 3.98Å; A153-A158 PolarHBondContact O-N 3.16Å; A153-A158 VanDerWaalsContact O-N 3.14Å; V156-A158 HydrophobicContact CG2-CB 3.85Å
159S98.1Very high97.8Very high48 Ų4861.1 Ų61.134%0.33633%0.333SS..  trans-91.1115.8169.1174.70000110.9E129 E161 Q162 M163E129-S159 WeakPolarHBondContact OE2-CB 3.33Å; E129-S159 PolarHBondContact OE2-N 2.85Å; S159-E161 PolarHBondContact O-N 3.33Å; S159-E161 PolarHBondContact OG-N 3.07Å; S159-Q162 PolarHBondContact O-N 3.01Å; S159-Q162 PolarHBondContact OG-N 3.39Å; S159-Q162 VanDerWaalsContact OG-N 3.16Å; S159-M163 WeakPolarHBondContact O-CG 3.42Å; S159-M163 PolarHBondContact O-N 3.01Å
160L98.3Very high97.7Very high58 Ų5862.9 Ų62.930%0.30434%0.341SS..Hα-helixtrans-62.1-34.3173.7-61.1-178.9000111.6V125 T150 A153 M163 A164 F178V125-L160 HydrophobicContact CG2-CD2 3.77Å; T150-L160 HydrophobicContact CG2-CD1 4.19Å; T150-L160 HydrophobicContact CG2-CD2 4.14Å; A153-L160 HydrophobicContact CB-CD1 4.48Å; A153-L160 HydrophobicContact CB-CD2 3.96Å; A153-L160 HydrophobicContact CB-CG 4.01Å; L160-M163 PolarHBondContact O-N 3.33Å; L160-A164 WeakPolarHBondContact O-CB 3.36Å; L160-A164 PolarHBondContact O-N 3.49Å; L160-F178 HydrophobicContact CB-CE1 4.26Å; L160-F178 HydrophobicContact CB-CZ 4.35Å; L160-F178 HydrophobicContact CD2-CD1 4.13Å; L160-F178 HydrophobicContact CD2-CE1 3.95Å; L160-F178 VanDerWaalsContact O-CZ 3.23Å; L160-F178 WeakPolarHBondContact O-CZ 3.37Å
161E98.3Very high97.6Very high142 Ų14262.5 Ų62.566%0.66434%0.338SS*.Hα-helixtrans-61.6-48.4175-176.8174.3-159.700110.9S159 M163 A164 E165S159-E161 PolarHBondContact O-N 3.33Å; S159-E161 PolarHBondContact OG-N 3.07Å; E161-M163 PolarHBondContact O-N 2.93Å; E161-A164 WeakPolarHBondContact O-CB 3.44Å; E161-A164 PolarHBondContact O-N 3.03Å; E161-A164 VanDerWaalsContact O-N 3.11Å; E161-E165 WeakPolarHBondContact O-CG 3.15Å; E161-E165 PolarHBondContact O-N 3.38Å
162Q98.2Very high97.4Very high61 Ų6162.6 Ų62.629%0.28535%0.35SS..Hα-helixtrans-62.9-42.6178-173.763.282.300111.8E129 S159 A164 E165 D166E129-Q162 HydrophobicContact CG-CB 4.26Å; E129-Q162 HydrophobicContact CG-CG 4.27Å; S159-Q162 PolarHBondContact O-N 3.01Å; S159-Q162 PolarHBondContact OG-N 3.39Å; S159-Q162 VanDerWaalsContact OG-N 3.16Å; Q162-A164 VanDerWaalsContact C-N 3.27Å; Q162-A164 PolarHBondContact O-N 2.88Å; Q162-E165 PolarHBondContact NE2-OE2 2.77Å; Q162-E165 PolarHBondContact O-N 3.24Å; Q162-D166 PolarHBondContact NE2-OD1 3.15Å; Q162-D166 WeakPolarHBondContact O-CB 3.26Å; Q162-D166 PolarHBondContact O-N 3.29Å; Q162-D166 VanDerWaalsContact O-OD2 3.14Å
163M98.3Very high97.2Very high0 Ų070.7 Ų70.70%038%0.383CS..Hα-helixtrans-60-38.3174.8-67.9-175.382.800111.7I123 V125 E129 P132 I147 S159 L160 E161 T167 F178I123-M163 HydrophobicContact CD1-CE 3.97Å; V125-M163 HydrophobicContact CG1-SD 4.48Å; V125-M163 HydrophobicContact CG2-SD 4.14Å; E129-M163 HydrophobicContact CB-CG 4.29Å; E129-M163 HydrophobicContact CG-CG 3.71Å; P132-M163 HydrophobicContact CG-CE 4.43Å; I147-M163 HydrophobicContact CD1-CB 4.24Å; I147-M163 HydrophobicContact CD1-CE 4.41Å; I147-M163 HydrophobicContact CG2-CE 3.53Å; I147-M163 HydrophobicContact CG2-SD 4.18Å; S159-M163 WeakPolarHBondContact O-CG 3.42Å; S159-M163 PolarHBondContact O-N 3.01Å; L160-M163 PolarHBondContact O-N 3.33Å; E161-M163 PolarHBondContact O-N 2.93Å; M163-T167 VanDerWaalsContact O-CB 3.26Å; M163-T167 WeakPolarHBondContact O-CB 3.24Å; M163-T167 PolarHBondContact O-N 3.42Å; M163-T167 PolarHBondContact O-OG1 2.86Å; M163-F178 HydrophobicContact CB-CE1 4.29Å; M163-F178 HydrophobicContact CB-CZ 4.3Å
164A98Very high97.2Very high13 Ų1376.1 Ų76.111%0.10740%0.402CS..Hα-helixtrans-67.2-44.9177.400000111.9L160 E161 Q162 T167 K168 F176 F178L160-A164 WeakPolarHBondContact O-CB 3.36Å; L160-A164 PolarHBondContact O-N 3.49Å; E161-A164 WeakPolarHBondContact O-CB 3.44Å; E161-A164 PolarHBondContact O-N 3.03Å; E161-A164 VanDerWaalsContact O-N 3.11Å; Q162-A164 VanDerWaalsContact C-N 3.27Å; Q162-A164 PolarHBondContact O-N 2.88Å; A164-T167 PolarHBondContact O-N 2.96Å; A164-K168 VanDerWaalsContact O-CG 3.3Å; A164-K168 WeakPolarHBondContact O-CG 3.5Å; A164-K168 PolarHBondContact O-N 3.08Å; A164-F176 HydrophobicContact CB-CE2 4.36Å; A164-F176 HydrophobicContact CB-CZ 4.06Å; A164-F178 HydrophobicContact CB-CE2 3.77Å; A164-F178 HydrophobicContact CB-CZ 3.83Å
165E98Very high97.2Very high96 Ų9673.3 Ų73.345%0.44938%0.384SS..Hα-helixtrans-59.8-50.1176.4-71.6-176.8161.400111.4E161 Q162 T167 K168 V169E161-E165 WeakPolarHBondContact O-CG 3.15Å; E161-E165 PolarHBondContact O-N 3.38Å; Q162-E165 PolarHBondContact NE2-OE2 2.77Å; Q162-E165 PolarHBondContact O-N 3.24Å; E165-T167 VanDerWaalsContact C-N 3.3Å; E165-T167 PolarHBondContact O-N 3.28Å; E165-K168 WeakPolarHBondContact O-CB 3.42Å; E165-K168 PolarHBondContact O-N 3.37Å; E165-K168 VanDerWaalsContact O-N 3.16Å; E165-V169 WeakPolarHBondContact O-CG2 3.47Å; E165-V169 PolarHBondContact O-N 3.14Å
166D97.6Very high97.2Very high15 Ų1566.3 Ų66.38%0.0836%0.357CS..Hα-helixtrans-61.3-43.2178.8-67.1-36.7000110.9P132 R133 Q162 K168 V169 F170P132-D166 HydrophobicContact CB-CB 3.73Å; R133-D166 VanDerWaalsContact CD-OD1 3.32Å; R133-D166 WeakPolarHBondContact CD-OD1 3.46Å; R133-D166 WeakPolarHBondContact CD-OD2 3.25Å; R133-D166 HydrophobicContact CG-CB 3.73Å; R133-D166 WeakPolarHBondContact CG-OD1 3.15Å; R133-D166 WeakPolarHBondContact CG-OD2 3.35Å; R133-D166 IonicContact CZ-OD2 3.37Å; R133-D166 IonicContact NE-OD2 3.63Å; R133-D166 IonicContact NH1-OD1 3.52Å; R133-D166 IonicContact NH1-OD2 2.9Å; R133-D166 PolarHBondContact NH1-OD2 3Å; Q162-D166 PolarHBondContact NE2-OD1 3.15Å; Q162-D166 WeakPolarHBondContact O-CB 3.26Å; Q162-D166 PolarHBondContact O-N 3.29Å; Q162-D166 VanDerWaalsContact O-OD2 3.14Å; D166-K168 VanDerWaalsContact C-N 3.31Å; D166-K168 PolarHBondContact O-N 3.42Å; D166-V169 PolarHBondContact O-N 3.21Å; D166-V169 VanDerWaalsContact O-N 3.15Å; D166-F170 VanDerWaalsContact O-CD2 3.3Å; D166-F170 WeakPolarHBondContact O-CD2 3.39Å; D166-F170 PolarHBondContact O-N 2.77Å; D166-F170 VanDerWaalsContact O-N 3.07Å
167T97.5Very high97.3Very high0 Ų063.8 Ų63.80%034%0.342CS..Hα-helixtrans-58.4-44.4176.5-60.90000111.3P132 F145 M163 A164 E165 V169 F170 R171 F176P132-T167 WeakPolarHBondContact CB-OG1 3.06Å; F145-T167 HydrophobicContact CD1-CG2 3.6Å; F145-T167 HydrophobicContact CE1-CG2 3.75Å; M163-T167 VanDerWaalsContact O-CB 3.26Å; M163-T167 WeakPolarHBondContact O-CB 3.24Å; M163-T167 PolarHBondContact O-N 3.42Å; M163-T167 PolarHBondContact O-OG1 2.86Å; A164-T167 PolarHBondContact O-N 2.96Å; E165-T167 VanDerWaalsContact C-N 3.3Å; E165-T167 PolarHBondContact O-N 3.28Å; T167-V169 VanDerWaalsContact C-N 3.34Å; T167-V169 PolarHBondContact O-N 2.98Å; T167-F170 PolarHBondContact O-N 2.88Å; T167-R171 HydrophobicContact CG2-CG 4.3Å; T167-R171 VanDerWaalsContact O-CB 3.28Å; T167-R171 WeakPolarHBondContact O-CB 3.39Å; T167-R171 PolarHBondContact O-N 2.98Å; T167-F176 HydrophobicContact CG2-CB 4.1Å; T167-F176 HydrophobicContact CG2-CD1 3.54Å; T167-F176 HydrophobicContact CG2-CD2 3.75Å; T167-F176 HydrophobicContact CG2-CE1 3.79Å; T167-F176 HydrophobicContact CG2-CE2 3.98Å; T167-F176 HydrophobicContact CG2-CG 3.52Å; T167-F176 HydrophobicContact CG2-CZ 4Å
168K97.2Very high97.4Very high125 Ų12563 Ų6354%0.54332%0.319SS..Hα-helixtrans-63.2-37.5176.7-71167.8-175.7172.30112.4A164 E165 D166 G172 F176A164-K168 VanDerWaalsContact O-CG 3.3Å; A164-K168 WeakPolarHBondContact O-CG 3.5Å; A164-K168 PolarHBondContact O-N 3.08Å; E165-K168 WeakPolarHBondContact O-CB 3.42Å; E165-K168 PolarHBondContact O-N 3.37Å; E165-K168 VanDerWaalsContact O-N 3.16Å; D166-K168 VanDerWaalsContact C-N 3.31Å; D166-K168 PolarHBondContact O-N 3.42Å; K168-G172 VanDerWaalsContact O-CA 3.26Å; K168-G172 WeakPolarHBondContact O-CA 3.48Å; K168-G172 PolarHBondContact O-N 3.5Å; K168-F176 HydrophobicContact CG-CE1 3.93Å; K168-F176 HydrophobicContact CG-CZ 4.39Å
169V97.3Very high97.4Very high112 Ų11262.3 Ų62.368%0.67931%0.314SS*.Hα-helixtrans-62.6-45.9176.3171.40000111.2E165 D166 T167E165-V169 WeakPolarHBondContact O-CG2 3.47Å; E165-V169 PolarHBondContact O-N 3.14Å; D166-V169 PolarHBondContact O-N 3.21Å; D166-V169 VanDerWaalsContact O-N 3.15Å; T167-V169 VanDerWaalsContact C-N 3.34Å; T167-V169 PolarHBondContact O-N 2.98Å
170F96Very high97.5Very high81 Ų8160.7 Ų60.736%0.35530%0.301SS..Hα-helixtrans-87.7-27.4-174.2-74.6-86.8000114.6P132 R133 M139 I140 D166 T167P132-F170 WeakPolarHBondContact O-CD2 3.26Å; R133-F170 HydrophobicContact CB-CE2 4.32Å; R133-F170 HydrophobicContact CG-CE2 4.45Å; R133-F170 WeakPolarHBondContact O-CZ 3.43Å; M139-F170 HydrophobicContact CE-CB 3.58Å; M139-F170 HydrophobicContact CE-CG 4.26Å; I140-F170 HydrophobicContact CD1-CB 4.46Å; I140-F170 HydrophobicContact CD1-CD1 4.25Å; I140-F170 HydrophobicContact CG1-CB 4.36Å; D166-F170 VanDerWaalsContact O-CD2 3.3Å; D166-F170 WeakPolarHBondContact O-CD2 3.39Å; D166-F170 PolarHBondContact O-N 2.77Å; D166-F170 VanDerWaalsContact O-N 3.07Å; T167-F170 PolarHBondContact O-N 2.88Å
171R96.2Very high97.5Very high9 Ų957.9 Ų57.93%0.03429%0.286CS..Hα-helixtrans-98.7-13.1178.7-72.2-17659.777.5-10.6113.9M139 S142 D143 F145 T167 K173 R174 P175M139-R171 HydrophobicContact CG-CG 4.36Å; M139-R171 WeakPolarHBondContact O-CD 3.24Å; M139-R171 PolarHBondContact O-NH1 3.22Å; S142-R171 PolarHBondContact O-NH1 3.13Å; S142-R171 PolarHBondContact O-NH2 3.01Å; S142-R171 PolarHBondContact OG-NH1 2.98Å; D143-R171 PolarHBondContact O-NH2 2.93Å; F145-R171 VanDerWaalsContact CB-CZ 3.48Å; T167-R171 HydrophobicContact CG2-CG 4.3Å; T167-R171 VanDerWaalsContact O-CB 3.28Å; T167-R171 WeakPolarHBondContact O-CB 3.39Å; T167-R171 PolarHBondContact O-N 2.98Å; R171-K173 PolarHBondContact O-N 3.03Å; R171-K173 VanDerWaalsContact O-N 3.17Å; R171-R174 HydrophobicContact CB-CB 4.27Å; R171-R174 PolarHBondContact O-N 3.06Å; R171-R174 VanDerWaalsContact O-N 3.13Å; R171-P175 PolarHBondContact NE-O 3.26Å; R171-P175 PolarHBondContact NH2-O 3.18Å
172G94.3Very high97.4Very high49 Ų4957.2 Ų57.251%0.50528%0.281SS..THydrogen-bonded Turntrans59.8-116.8-175.600000111.3K168K168-G172 VanDerWaalsContact O-CA 3.26Å; K168-G172 WeakPolarHBondContact O-CA 3.48Å; K168-G172 PolarHBondContact O-N 3.5Å
173K94.2Very high97.4Very high214 Ų21458.5 Ų58.593%0.9329%0.293SS*.THydrogen-bonded Turntrans-92.5-1.2-179.4-63.4-175.6178.7-179.10114.2R171R171-K173 PolarHBondContact O-N 3.03Å; R171-K173 VanDerWaalsContact O-N 3.17Å
174R96.4Very high97.4Very high122 Ų12262 Ų6246%0.4631%0.312SS..SBendtrans-67.7137.5180-68-170.6169.9113.26.8110.5I140 R171I140-R174 PolarHBondContact O-NH1 3.32Å; R171-R174 HydrophobicContact CB-CB 4.27Å; R171-R174 PolarHBondContact O-N 3.06Å; R171-R174 VanDerWaalsContact O-N 3.13Å
175P97.9Very high97.5Very high48 Ų4867.1 Ų67.131%0.31233%0.334SS..  trans-68.4148.6-171.929.2-36.1000111.9D143 F144 F145 R171D143-P175 WeakPolarHBondContact O-CD 3.41Å; D143-P175 WeakPolarHBondContact O-CG 3.33Å; F144-P175 HydrophobicContact CD2-CB 3.78Å; F144-P175 HydrophobicContact CD2-CG 3.73Å; F144-P175 HydrophobicContact CE2-CB 3.79Å; F144-P175 HydrophobicContact CE2-CG 4.25Å; F145-P175 PolarHBondContact N-O 2.96Å; R171-P175 PolarHBondContact NE-O 3.26Å; R171-P175 PolarHBondContact NH2-O 3.18Å
176F98.4Very high97.5Very high45 Ų4563 Ų6320%0.19732%0.317CS..EExtended strand (participates in β ladder)trans-151.5159.4168.878.1-81.5000109.7F145 I147 A164 T167 K168 F178F145-F176 HydrophobicContact CB-CB 3.79Å; F145-F176 HydrophobicContact CD1-CB 3.78Å; F145-F176 HydrophobicContact CD1-CG 4.38Å; F145-F176 HydrophobicContact CG-CB 4.25Å; F145-F176 CarbonylContact O-C 3.58Å; F145-F176 WeakPolarHBondContact O-CA 3.43Å; F145-F176 VanDerWaalsContact O-CB 3.24Å; F145-F176 WeakPolarHBondContact O-CB 3.22Å; I147-F176 HydrophobicContact CD1-CD2 4.35Å; I147-F176 HydrophobicContact CD1-CE2 4.42Å; A164-F176 HydrophobicContact CB-CE2 4.36Å; A164-F176 HydrophobicContact CB-CZ 4.06Å; T167-F176 HydrophobicContact CG2-CB 4.1Å; T167-F176 HydrophobicContact CG2-CD1 3.54Å; T167-F176 HydrophobicContact CG2-CD2 3.75Å; T167-F176 HydrophobicContact CG2-CE1 3.79Å; T167-F176 HydrophobicContact CG2-CE2 3.98Å; T167-F176 HydrophobicContact CG2-CG 3.52Å; T167-F176 HydrophobicContact CG2-CZ 4Å; K168-F176 HydrophobicContact CG-CE1 3.93Å; K168-F176 HydrophobicContact CG-CZ 4.39Å; F176-F178 HydrophobicContact CE2-CD2 4.42Å; F176-F178 AromaticContact CE2-CE2 3.85Å; F176-F178 HydrophobicContact CE2-CE2 3.85Å; F176-F178 HydrophobicContact CE2-CZ 4.22Å
177T98.7Very high97.5Very high19 Ų1962.6 Ų62.612%0.11732%0.315CS..EExtended strand (participates in β ladder)trans-140.3159.6172.6-161.80000112F144 F145 V146 I147 T179 E189 V190F144-T177 HydrophobicContact CE1-CG2 3.65Å; F144-T177 HydrophobicContact CZ-CG2 3.81Å; F145-T177 PolarHBondContact O-N 2.61Å; V146-T177 WeakPolarHBondContact CA-O 3.41Å; I147-T177 PolarHBondContact N-O 3.26Å; T177-T179 HydrophobicContact CG2-CG2 3.93Å; T177-E189 HydrophobicContact CG2-CB 4.18Å; T177-V190 HydrophobicContact CG2-CG2 3.89Å
178F98.7Very high97.6Very high52 Ų5266.6 Ų66.623%0.22834%0.336CS..EExtended strand (participates in β ladder)trans-90.2143.5167.4-73.2-77.2000109.1I147 T150 L160 M163 A164 F176 G186I147-F178 HydrophobicContact CB-CD1 3.68Å; I147-F178 HydrophobicContact CB-CE1 3.82Å; I147-F178 HydrophobicContact CD1-CD1 4.29Å; I147-F178 HydrophobicContact CD1-CE1 3.62Å; I147-F178 HydrophobicContact CD1-CZ 3.97Å; I147-F178 HydrophobicContact CG1-CE1 4.3Å; I147-F178 HydrophobicContact CG2-CD1 3.87Å; I147-F178 HydrophobicContact CG2-CE1 3.79Å; I147-F178 CarbonylContact O-C 3.49Å; I147-F178 WeakPolarHBondContact O-CA 3.42Å; T150-F178 HydrophobicContact CG2-CB 3.73Å; T150-F178 HydrophobicContact CG2-CD1 3.86Å; T150-F178 HydrophobicContact CG2-CG 4.19Å; L160-F178 HydrophobicContact CB-CE1 4.26Å; L160-F178 HydrophobicContact CB-CZ 4.35Å; L160-F178 HydrophobicContact CD2-CD1 4.13Å; L160-F178 HydrophobicContact CD2-CE1 3.95Å; L160-F178 VanDerWaalsContact O-CZ 3.23Å; L160-F178 WeakPolarHBondContact O-CZ 3.37Å; M163-F178 HydrophobicContact CB-CE1 4.29Å; M163-F178 HydrophobicContact CB-CZ 4.3Å; A164-F178 HydrophobicContact CB-CE2 3.77Å; A164-F178 HydrophobicContact CB-CZ 3.83Å; F176-F178 HydrophobicContact CE2-CD2 4.42Å; F176-F178 AromaticContact CE2-CE2 3.85Å; F176-F178 HydrophobicContact CE2-CE2 3.85Å; F176-F178 HydrophobicContact CE2-CZ 4.22Å; F178-G186 WeakPolarHBondContact O-CA 3.45Å
179T98.9Very high97.6Very high0 Ų065.2 Ų65.20%033%0.331CS..  trans-134.3151.6175.855.50000112.6V146 I147 N148 K149 T150 T177 L181 E185 V190V146-T179 HydrophobicContact CG1-CG2 3.67Å; V146-T179 WeakPolarHBondContact CG1-OG1 3.41Å; I147-T179 PolarHBondContact O-N 3.24Å; N148-T179 CarbonylContact C-O 3.57Å; N148-T179 VanDerWaalsContact CA-O 3.3Å; N148-T179 WeakPolarHBondContact CA-O 3.33Å; N148-T179 VanDerWaalsContact CA-OG1 3.26Å; N148-T179 WeakPolarHBondContact CA-OG1 3.29Å; N148-T179 VanDerWaalsContact CB-OG1 3.29Å; N148-T179 WeakPolarHBondContact CB-OG1 3.24Å; N148-T179 PolarHBondContact OD1-O 3.19Å; N148-T179 PolarHBondContact OD1-OG1 3.25Å; N148-T179 VanDerWaalsContact OD1-OG1 3.13Å; K149-T179 PolarHBondContact N-O 3.38Å; T150-T179 WeakPolarHBondContact CG2-O 3.31Å; T150-T179 PolarHBondContact N-O 3.1Å; T150-T179 PolarHBondContact OG1-O 3.12Å; T177-T179 HydrophobicContact CG2-CG2 3.93Å; T179-L181 HydrophobicContact CG2-CD2 4.41Å; T179-E185 CarbonylContact C-O 3.58Å; T179-E185 VanDerWaalsContact CA-O 3.23Å; T179-E185 WeakPolarHBondContact CA-O 3.14Å; T179-V190 HydrophobicContact CG2-CG2 4.07Å
180N98.6Very high97.7Very high13 Ų1359.9 Ų59.97%0.0730%0.299CS..BIsolated β-bridgetrans-126.491.5155.9178.2-1.7000108.1K182 T183 D184 E185N180-K182 PolarHBondContact O-N 3.16Å; N180-K182 VanDerWaalsContact O-N 3.08Å; N180-K182 WeakPolarHBondContact OD1-CB 3.05Å; N180-K182 PolarHBondContact OD1-N 3.25Å; N180-K182 VanDerWaalsContact OD1-N 3.14Å; N180-T183 VanDerWaalsContact CG-OG1 3.27Å; N180-T183 PolarHBondContact ND2-OG1 2.96Å; N180-T183 CarbonylContact O-C 3.57Å; N180-T183 PolarHBondContact O-N 3.14Å; N180-T183 PolarHBondContact O-OG1 3.14Å; N180-D184 PolarHBondContact O-N 2.88Å; N180-E185 HydrophobicContact CB-CB 4.13Å; N180-E185 PolarHBondContact N-O 3.11Å; N180-E185 PolarHBondContact O-N 3.26Å
181L98.4Very high97.8Very high0 Ų056.4 Ų56.40%028%0.284CS..THydrogen-bonded Turntrans-68.4-6.3-176.8-62176.5000114.2Q19 L20 K23 I122 N148 T179 L187Q19-L181 HydrophobicContact CB-CD1 4.47Å; Q19-L181 HydrophobicContact CG-CB 3.95Å; Q19-L181 HydrophobicContact CG-CD1 4.29Å; Q19-L181 VanDerWaalsContact OE1-CB 3.28Å; L20-L181 HydrophobicContact CB-CD1 3.77Å; L20-L181 HydrophobicContact CD1-CD1 4.06Å; L20-L181 HydrophobicContact CD1-CD2 3.9Å; K23-L181 VanDerWaalsContact CE-O 3.24Å; K23-L181 WeakPolarHBondContact CE-O 3.34Å; K23-L181 PolarHBondContact NZ-O 2.9Å; I122-L181 HydrophobicContact CD1-CD1 4.32Å; N148-L181 WeakPolarHBondContact OD1-CG 3.25Å; N148-L181 PolarHBondContact OD1-N 2.98Å; T179-L181 HydrophobicContact CG2-CD2 4.41Å; L181-L187 HydrophobicContact CD2-CD1 4.06Å
182K97.5Very high97.9Very high128 Ų12860.5 Ų60.556%0.55731%0.307SS*.THydrogen-bonded Turntrans-73.9-33.7167.9-62.3176.8-173.7158.40111.8D151 N180D151-K182 IonicContact OD2-NZ 2.72Å; D151-K182 PolarHBondContact OD2-NZ 3.25Å; N180-K182 PolarHBondContact O-N 3.16Å; N180-K182 VanDerWaalsContact O-N 3.08Å; N180-K182 WeakPolarHBondContact OD1-CB 3.05Å; N180-K182 PolarHBondContact OD1-N 3.25Å; N180-K182 VanDerWaalsContact OD1-N 3.14Å
183T98.1Very high98Very high88 Ų8858.7 Ų58.754%0.5429%0.285SS..THydrogen-bonded Turntrans-110.62.8-176.858.20000113.1N180 E185N180-T183 VanDerWaalsContact CG-OG1 3.27Å; N180-T183 PolarHBondContact ND2-OG1 2.96Å; N180-T183 CarbonylContact O-C 3.57Å; N180-T183 PolarHBondContact O-N 3.14Å; N180-T183 PolarHBondContact O-OG1 3.14Å; T183-E185 PolarHBondContact O-N 3.38Å
184D98.1Very high98.2Very high72 Ų7248.5 Ų48.539%0.38524%0.241SC..THydrogen-bonded Turntrans62.212.9-174.6-57.4-24.5000114.3K23 N180 G186 L187K23-D184 WeakPolarHBondContact CD-OD1 3.23Å; K23-D184 WeakPolarHBondContact CE-OD1 3.36Å; K23-D184 IonicContact NZ-OD1 3.71Å; K23-D184 PolarHBondContact NZ-OD1 3.42Å; K23-D184 IonicContact NZ-OD2 3.54Å; N180-D184 PolarHBondContact O-N 2.88Å; D184-G186 PolarHBondContact O-N 3Å; D184-L187 HydrophobicContact CB-CB 4.32Å; D184-L187 HydrophobicContact CB-CD2 4.05Å; D184-L187 VanDerWaalsContact O-CB 3.25Å; D184-L187 WeakPolarHBondContact O-CB 3.37Å; D184-L187 PolarHBondContact O-N 3.44Å
185E98.6Very high98.2Very high121 Ų12144.8 Ų44.857%0.56523%0.228SC*.BIsolated β-bridgetrans-64.9131.8173.6-173.5-176.8179.400109.5T179 N180 T183 L187T179-E185 CarbonylContact C-O 3.58Å; T179-E185 VanDerWaalsContact CA-O 3.23Å; T179-E185 WeakPolarHBondContact CA-O 3.14Å; N180-E185 HydrophobicContact CB-CB 4.13Å; N180-E185 PolarHBondContact N-O 3.11Å; N180-E185 PolarHBondContact O-N 3.26Å; T183-E185 PolarHBondContact O-N 3.38Å; E185-L187 PolarHBondContact O-N 2.94Å
186G98.4Very high98.1Very high9 Ų949.4 Ų49.49%0.09324%0.24CC..THydrogen-bonded Turntrans79.8-6.6-178.100000115F178 D184 E189F178-G186 WeakPolarHBondContact O-CA 3.45Å; D184-G186 PolarHBondContact O-N 3Å; G186-E189 WeakPolarHBondContact CA-OE2 3.49Å
187L98.6Very high98Very high7 Ų749.8 Ų49.84%0.03724%0.244CC..Hα-helixtrans-69.6-38.5-176.7178.263.6000111.5L20 K23 V24 L181 D184 E185 E189 V190 I191L20-L187 HydrophobicContact CD1-CD1 4.28Å; K23-L187 HydrophobicContact CB-CD1 3.89Å; K23-L187 HydrophobicContact CB-CD2 3.8Å; V24-L187 HydrophobicContact CG2-CD1 3.96Å; L181-L187 HydrophobicContact CD2-CD1 4.06Å; D184-L187 HydrophobicContact CB-CB 4.32Å; D184-L187 HydrophobicContact CB-CD2 4.05Å; D184-L187 VanDerWaalsContact O-CB 3.25Å; D184-L187 WeakPolarHBondContact O-CB 3.37Å; D184-L187 PolarHBondContact O-N 3.44Å; E185-L187 PolarHBondContact O-N 2.94Å; L187-E189 VanDerWaalsContact C-N 3.27Å; L187-E189 PolarHBondContact O-N 3.38Å; L187-V190 WeakPolarHBondContact O-CB 3.26Å; L187-V190 PolarHBondContact O-N 2.67Å; L187-I191 HydrophobicContact CD1-CD1 4.38Å; L187-I191 HydrophobicContact CD2-CD1 4.4Å; L187-I191 HydrophobicContact CG-CD1 3.95Å; L187-I191 HydrophobicContact CG-CG1 4.47Å; L187-I191 PolarHBondContact O-N 3.06Å
188D98.4Very high97.8Very high84 Ų8449.1 Ų49.145%0.44924%0.239SC..Hα-helixtrans-61-38.3179.5-73.4-21.2000110.5V190 I191 D192D188-V190 VanDerWaalsContact C-N 3.29Å; D188-V190 PolarHBondContact O-N 3.16Å; D188-I191 PolarHBondContact O-N 3.37Å; D188-I191 VanDerWaalsContact O-N 3.15Å; D188-D192 WeakPolarHBondContact O-CB 3.32Å; D188-D192 PolarHBondContact O-N 2.96Å
189E98.5Very high97.5Very high96 Ų9648.1 Ų48.145%0.44924%0.237SC..Hα-helixtrans-64.3-31.6175.2-66.885.1162.300113.1T177 G186 L187 W193T177-E189 HydrophobicContact CG2-CB 4.18Å; G186-E189 WeakPolarHBondContact CA-OE2 3.49Å; L187-E189 VanDerWaalsContact C-N 3.27Å; L187-E189 PolarHBondContact O-N 3.38Å; E189-W193 WeakPolarHBondContact O-CB 3.46Å; E189-W193 PolarHBondContact O-N 3.4Å
190V98.7Very high97Very high0 Ų053.5 Ų53.50%027%0.265CS..Hα-helixtrans-70.6-45.3173-175.10000110L20 V24 I120 F144 V146 T177 T179 L187 D188 W193 I194L20-V190 HydrophobicContact CD1-CG1 4.18Å; L20-V190 HydrophobicContact CD1-CG2 4.26Å; V24-V190 HydrophobicContact CG2-CG1 4.3Å; I120-V190 HydrophobicContact CD1-CG1 4.03Å; F144-V190 HydrophobicContact CE1-CB 4.36Å; F144-V190 HydrophobicContact CE1-CG1 4.45Å; F144-V190 HydrophobicContact CE1-CG2 3.96Å; V146-V190 HydrophobicContact CG2-CG2 4.12Å; T177-V190 HydrophobicContact CG2-CG2 3.89Å; T179-V190 HydrophobicContact CG2-CG2 4.07Å; L187-V190 WeakPolarHBondContact O-CB 3.26Å; L187-V190 PolarHBondContact O-N 2.67Å; D188-V190 VanDerWaalsContact C-N 3.29Å; D188-V190 PolarHBondContact O-N 3.16Å; V190-W193 PolarHBondContact O-N 3.39Å; V190-I194 HydrophobicContact CG1-CD1 4.14Å; V190-I194 WeakPolarHBondContact O-CG1 3.28Å; V190-I194 PolarHBondContact O-N 2.99Å
191I98.1Very high96.4Very high8 Ų856.6 Ų56.64%0.04128%0.278CS..Hα-helixtrans-63.7-48.3-179.9-68.7170.4000110.3V24 R27 L28 L187 D188 W193 I194 E195V24-I191 HydrophobicContact CG2-CG1 4.4Å; R27-I191 HydrophobicContact CB-CD1 3.81Å; R27-I191 HydrophobicContact CG-CD1 3.71Å; L28-I191 HydrophobicContact CD2-CG2 4.12Å; L187-I191 HydrophobicContact CD1-CD1 4.38Å; L187-I191 HydrophobicContact CD2-CD1 4.4Å; L187-I191 HydrophobicContact CG-CD1 3.95Å; L187-I191 HydrophobicContact CG-CG1 4.47Å; L187-I191 PolarHBondContact O-N 3.06Å; D188-I191 PolarHBondContact O-N 3.37Å; D188-I191 VanDerWaalsContact O-N 3.15Å; I191-W193 VanDerWaalsContact C-N 3.25Å; I191-W193 PolarHBondContact O-N 2.83Å; I191-I194 WeakPolarHBondContact O-CB 3.3Å; I191-I194 PolarHBondContact O-N 2.66Å; I191-E195 HydrophobicContact CG2-CG 4.2Å; I191-E195 WeakPolarHBondContact O-CG 3.46Å; I191-E195 PolarHBondContact O-N 3.33Å
192D97.6Very high95.3Very high95 Ų9560.1 Ų60.151%0.50831%0.313SS..Hα-helixtrans-56.8-40.9178-74.8-8.7000111.3D188 R196D188-D192 WeakPolarHBondContact O-CB 3.32Å; D188-D192 PolarHBondContact O-N 2.96Å; D192-R196 WeakPolarHBondContact O-CB 3.21Å; D192-R196 PolarHBondContact O-N 3.15Å
193W98Very high94Very high12 Ų1260 Ų605%0.04532%0.318CS..Hα-helixtrans-65.2-45.2174.5177.878.1000112F118 I120 D143 F144 E189 V190 I191 E195 D197 T198F118-W193 HydrophobicContact CB-CH2 4.19Å; I120-W193 HydrophobicContact CD1-CE3 4.17Å; I120-W193 HydrophobicContact CD1-CZ3 3.79Å; I120-W193 HydrophobicContact CG1-CE3 4.39Å; I120-W193 HydrophobicContact CG1-CH2 4.31Å; I120-W193 HydrophobicContact CG1-CZ3 3.67Å; D143-W193 HydrophobicContact CB-CH2 3.89Å; D143-W193 HydrophobicContact CB-CZ2 3.53Å; F144-W193 HydrophobicContact CB-CD2 3.62Å; F144-W193 HydrophobicContact CB-CE3 3.64Å; F144-W193 HydrophobicContact CB-CG 4.35Å; F144-W193 HydrophobicContact CB-CH2 3.84Å; F144-W193 HydrophobicContact CB-CZ2 3.83Å; F144-W193 HydrophobicContact CB-CZ3 3.76Å; F144-W193 HydrophobicContact CD1-CE3 4.46Å; F144-W193 HydrophobicContact CD2-CB 3.78Å; F144-W193 AromaticContact CD2-CD1 3.41Å; F144-W193 VanDerWaalsContact CD2-CD1 3.41Å; F144-W193 AromaticContact CD2-CD2 3.4Å; F144-W193 HydrophobicContact CD2-CD2 3.4Å; F144-W193 AromaticContact CD2-CE2 3.77Å; F144-W193 HydrophobicContact CD2-CE3 4.09Å; F144-W193 AromaticContact CD2-CG 3.18Å; F144-W193 HydrophobicContact CD2-CG 3.18Å; F144-W193 AromaticContact CD2-NE1 3.72Å; F144-W193 HydrophobicContact CE2-CB 3.55Å; F144-W193 AromaticContact CE2-CD1 3.77Å; F144-W193 HydrophobicContact CE2-CD2 4.15Å; F144-W193 AromaticContact CE2-CG 3.48Å; F144-W193 HydrophobicContact CE2-CG 3.48Å; F144-W193 VanDerWaalsContact CE2-CG 3.48Å; F144-W193 HydrophobicContact CG-CB 4.47Å; F144-W193 AromaticContact CG-CD2 3.63Å; F144-W193 HydrophobicContact CG-CD2 3.63Å; F144-W193 AromaticContact CG-CE3 3.84Å; F144-W193 HydrophobicContact CG-CE3 3.84Å; F144-W193 AromaticContact CG-CG 3.89Å; F144-W193 HydrophobicContact CG-CG 3.89Å; F144-W193 HydrophobicContact CG-CZ3 4.45Å; F144-W193 HydrophobicContact CZ-CB 4.09Å; F144-W193 HydrophobicContact CZ-CG 4.38Å; E189-W193 WeakPolarHBondContact O-CB 3.46Å; E189-W193 PolarHBondContact O-N 3.4Å; V190-W193 PolarHBondContact O-N 3.39Å; I191-W193 VanDerWaalsContact C-N 3.25Å; I191-W193 PolarHBondContact O-N 2.83Å; W193-E195 PolarHBondContact O-N 3.13Å; W193-D197 HydrophobicContact CD2-CB 4.47Å; W193-D197 HydrophobicContact CG-CB 4.43Å; W193-D197 HydrophobicContact CZ2-CB 4.39Å; W193-D197 VanDerWaalsContact NE1-CG 3.33Å; W193-D197 PolarHBondContact NE1-OD1 3.44Å; W193-D197 VanDerWaalsContact O-CB 3.25Å; W193-D197 WeakPolarHBondContact O-CB 3.35Å; W193-D197 PolarHBondContact O-N 3.16Å; W193-T198 HydrophobicContact CE3-CG2 4.44Å; W193-T198 HydrophobicContact CH2-CG2 3.7Å; W193-T198 HydrophobicContact CZ2-CG2 4.18Å; W193-T198 HydrophobicContact CZ3-CG2 3.84Å
194I98.1Very high92Very high0 Ų064.4 Ų64.40%035%0.353CS..Iπ-helixtrans-58.5-50.7176.1-68.6170.4000109.7I7 V24 L28 F99 I120 V190 I191 R196 T198 L199I7-I194 HydrophobicContact CD1-CG1 4.33Å; I7-I194 HydrophobicContact CD1-CG2 4.02Å; V24-I194 HydrophobicContact CG1-CD1 3.63Å; V24-I194 HydrophobicContact CG2-CD1 4.28Å; L28-I194 HydrophobicContact CD1-CG2 3.82Å; F99-I194 HydrophobicContact CE1-CD1 4.29Å; F99-I194 HydrophobicContact CZ-CD1 4.24Å; I120-I194 HydrophobicContact CD1-CD1 4.15Å; I120-I194 HydrophobicContact CD1-CG1 4.28Å; V190-I194 HydrophobicContact CG1-CD1 4.14Å; V190-I194 WeakPolarHBondContact O-CG1 3.28Å; V190-I194 PolarHBondContact O-N 2.99Å; I191-I194 WeakPolarHBondContact O-CB 3.3Å; I191-I194 PolarHBondContact O-N 2.66Å; I194-R196 PolarHBondContact O-N 2.94Å; I194-T198 WeakPolarHBondContact CG2-OG1 3.33Å; I194-T198 WeakPolarHBondContact O-CA 3.26Å; I194-T198 WeakPolarHBondContact O-CB 3.41Å; I194-T198 PolarHBondContact O-N 2.94Å; I194-T198 PolarHBondContact O-OG1 3.31Å; I194-L199 HydrophobicContact CG2-CD1 4.37Å; I194-L199 HydrophobicContact CG2-CG 4.34Å; I194-L199 PolarHBondContact O-N 3.44Å
195E96.4Very high91.7Very high44 Ų4464 Ų6421%0.20635%0.351CS..Iπ-helixtrans-63.5-44.9-176.6-70.1-162.2128.700112.8L28 I191 W193 L199 L200 K201L28-E195 HydrophobicContact CD2-CG 4.09Å; I191-E195 HydrophobicContact CG2-CG 4.2Å; I191-E195 WeakPolarHBondContact O-CG 3.46Å; I191-E195 PolarHBondContact O-N 3.33Å; W193-E195 PolarHBondContact O-N 3.13Å; E195-L199 HydrophobicContact CG-CD1 4.47Å; E195-L199 CarbonylContact O-C 3.54Å; E195-L199 WeakPolarHBondContact O-CB 3.42Å; E195-L200 PolarHBondContact O-N 3.17Å; E195-L200 VanDerWaalsContact O-N 3.14Å; E195-K201 HydrophobicContact CB-CB 4.34Å; E195-K201 HydrophobicContact CB-CD 4.09Å; E195-K201 HydrophobicContact CG-CD 4.14Å; E195-K201 WeakPolarHBondContact O-CB 3.3Å; E195-K201 PolarHBondContact O-N 2.95Å; E195-K201 IonicContact OE1-NZ 2.67Å; E195-K201 PolarHBondContact OE1-NZ 3.07Å
196R96.2Very high91.3Very high145 Ų14561 Ų6155%0.54734%0.34SS..Iπ-helixtrans-77.7-50-176.8-174.5-170.468.91355.9112.7D192 I194 L200D192-R196 WeakPolarHBondContact O-CB 3.21Å; D192-R196 PolarHBondContact O-N 3.15Å; I194-R196 PolarHBondContact O-N 2.94Å; R196-L200 WeakPolarHBondContact O-CA 3.49Å
197D95.5Very high90.9Very high52 Ų5263.9 Ų63.928%0.27835%0.353SS..Iπ-helixtrans-89.5-29.2-168.6-61.6-115.5000112.6W193W193-D197 HydrophobicContact CD2-CB 4.47Å; W193-D197 HydrophobicContact CG-CB 4.43Å; W193-D197 HydrophobicContact CZ2-CB 4.39Å; W193-D197 VanDerWaalsContact NE1-CG 3.33Å; W193-D197 PolarHBondContact NE1-OD1 3.44Å; W193-D197 VanDerWaalsContact O-CB 3.25Å; W193-D197 WeakPolarHBondContact O-CB 3.35Å; W193-D197 PolarHBondContact O-N 3.16Å
198T95.2Very high90.5Very high5 Ų567.2 Ų67.23%0.03137%0.372CS..Iπ-helixtrans-103.5-44.3-178.781.70000112.3I5 I7 F118 W193 I194I5-T198 WeakPolarHBondContact CD1-O 3.45Å; I7-T198 HydrophobicContact CD1-CG2 4.06Å; F118-T198 HydrophobicContact CB-CG2 4.11Å; F118-T198 HydrophobicContact CD1-CG2 4.03Å; F118-T198 HydrophobicContact CD2-CG2 3.69Å; F118-T198 HydrophobicContact CE1-CG2 4.35Å; F118-T198 HydrophobicContact CE2-CG2 4.05Å; F118-T198 HydrophobicContact CG-CG2 3.67Å; F118-T198 HydrophobicContact CZ-CG2 4.36Å; W193-T198 HydrophobicContact CE3-CG2 4.44Å; W193-T198 HydrophobicContact CH2-CG2 3.7Å; W193-T198 HydrophobicContact CZ2-CG2 4.18Å; W193-T198 HydrophobicContact CZ3-CG2 3.84Å; I194-T198 WeakPolarHBondContact CG2-OG1 3.33Å; I194-T198 WeakPolarHBondContact O-CA 3.26Å; I194-T198 WeakPolarHBondContact O-CB 3.41Å; I194-T198 PolarHBondContact O-N 2.94Å; I194-T198 PolarHBondContact O-OG1 3.31Å
199L92.5Very high90Very high32 Ų3266.2 Ų66.217%0.16837%0.367CS..SBendtrans-91.7-3.1-178.5-51.7-177.6000113.3I5 M32 I194 E195 K201I5-L199 HydrophobicContact CD1-CD2 3.66Å; M32-L199 HydrophobicContact CE-CD1 3.96Å; M32-L199 HydrophobicContact CE-CD2 3.83Å; M32-L199 HydrophobicContact SD-CD1 3.58Å; M32-L199 VanDerWaalsContact SD-CD1 3.58Å; M32-L199 HydrophobicContact SD-CD2 4.4Å; I194-L199 HydrophobicContact CG2-CD1 4.37Å; I194-L199 HydrophobicContact CG2-CG 4.34Å; I194-L199 PolarHBondContact O-N 3.44Å; E195-L199 HydrophobicContact CG-CD1 4.47Å; E195-L199 CarbonylContact O-C 3.54Å; E195-L199 WeakPolarHBondContact O-CB 3.42Å; L199-K201 HydrophobicContact CB-CG 4.15Å; L199-K201 PolarHBondContact O-N 3.35Å; L199-K201 VanDerWaalsContact O-N 3.09Å
200L88.6Confident89.4Confident113 Ų11364.2 Ų64.259%0.59236%0.362SS*.  trans55.724.8179.2-57.2-179.5000114E195 R196 L203E195-L200 PolarHBondContact O-N 3.17Å; E195-L200 VanDerWaalsContact O-N 3.14Å; R196-L200 WeakPolarHBondContact O-CA 3.49Å; L200-L203 HydrophobicContact CB-CD1 3.93Å; L200-L203 HydrophobicContact CD2-CD1 3.72Å; L200-L203 HydrophobicContact CG-CD1 4.36Å
201K84Confident88.8Confident78 Ų7868.8 Ų68.834%0.33939%0.388SS..THydrogen-bonded Turntrans-67.3141.1176.5-67.8-170.5-177.9178.10109.9E31 E195 L199E31-K201 IonicContact OE2-NZ 2.73Å; E31-K201 PolarHBondContact OE2-NZ 3.31Å; E195-K201 HydrophobicContact CB-CB 4.34Å; E195-K201 HydrophobicContact CB-CD 4.09Å; E195-K201 HydrophobicContact CG-CD 4.14Å; E195-K201 WeakPolarHBondContact O-CB 3.3Å; E195-K201 PolarHBondContact O-N 2.95Å; E195-K201 IonicContact OE1-NZ 2.67Å; E195-K201 PolarHBondContact OE1-NZ 3.07Å; L199-K201 HydrophobicContact CB-CG 4.15Å; L199-K201 PolarHBondContact O-N 3.35Å; L199-K201 VanDerWaalsContact O-N 3.09Å
202G76.4Confident88.1Confident73 Ų7373.5 Ų73.575%0.75341%0.414SS*.THydrogen-bonded Turntrans80.78.3174.700000116.1S204G202-S204 PolarHBondContact O-N 3Å
203L70.9Confident87.3Confident126 Ų12671.7 Ų71.766%0.6641%0.406SS*.  trans-82.724.1175.5-67.9176.9000114.3L200L200-L203 HydrophobicContact CB-CD1 3.93Å; L200-L203 HydrophobicContact CD2-CD1 3.72Å; L200-L203 HydrophobicContact CG-CD1 4.36Å
204S55.6Low86.3Confident180 Ų18077.1 Ų77.1100%1.25944%0.439SS*.  trans-82.30177.163.30000113.3G202G202-S204 PolarHBondContact O-N 3Å

Retrieved 204 of 204 residues in 396.1 ms (Link to these results)

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