A0A096MRK8_PAPAN Loading...

Octanoyl-[acyl-carrier-protein]:protein N-octanoyltransferase LIPT2, mitochondrial

Catalyzes the transfer of endogenously produced octanoic acid from octanoyl-acyl-carrier-protein onto the lipoyl domains of lipoate-dependent enzymes. Lipoyl-ACP can also act as a substrate although octanoyl-ACP is likely to be the physiological substrate.

AlphaFold DB , UniProt , Accession A0A096MRK8, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 231 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
1M55Low88.2Confident240 Ų24080.2 Ų80.2100%1.18236%0.361SS*.  0137.20-66.9175.7-159.800108.1
2R71Confident88.9Confident215 Ų21576.8 Ų76.881%0.81136%0.364SS*.PPolyproline II helixtrans-71.2128.5-179.4-165173.2-178.3-177.10.2108.9
3Q82.4Confident89.6Confident97 Ų9782.5 Ų82.545%0.45338%0.381SS..PPolyproline II helixtrans-61.5141.5176.5-76.1-177.2-21.800110.3K221 T223Q3-K221 VanDerWaalsContact CG-O 3.3Å; Q3-K221 WeakPolarHBondContact CG-O 3.48Å; Q3-T223 HydrophobicContact CB-CG2 4.15Å
4P90.6Very high90.2Very high26 Ų2677.6 Ų77.617%0.16936%0.359CS..PPolyproline II helixtrans-61.2141.3174.423.6-30.3000110.2A44 L108 C222 T223P4-A44 HydrophobicContact CB-CB 4.16Å; P4-L108 HydrophobicContact CB-CD2 4.01Å; P4-L108 HydrophobicContact CG-CD2 3.5Å; P4-L108 VanDerWaalsContact CG-CD2 3.5Å; P4-L108 HydrophobicContact CG-CG 4.46Å; P4-C222 HydrophobicContact CG-CB 4.27Å; P4-C222 VanDerWaalsContact O-CA 3.27Å; P4-C222 WeakPolarHBondContact O-CA 3.4Å; P4-C222 VanDerWaalsContact O-CB 3.24Å; P4-C222 WeakPolarHBondContact O-CB 3.45Å; P4-T223 PolarHBondContact O-N 3.29Å
5A93.4Very high90.7Very high10 Ų1076.4 Ų76.48%0.08336%0.361CS..EExtended strand (participates in β ladder)trans-93.4135.5178.700000110.1T42 E43 A44 I225A5-T42 PolarHBondContact N-O 3.38Å; A5-E43 CarbonylContact O-C 3.58Å; A5-E43 WeakPolarHBondContact O-CA 3.28Å; A5-A44 PolarHBondContact O-N 2.89Å; A5-I225 HydrophobicContact CB-CD1 4.15Å
6V95.7Very high91.1Very high0 Ų071.9 Ų71.90%034%0.34CS..EExtended strand (participates in β ladder)trans-123.6128175.71740000108.3L8 A44 L47 L103 F216 C222 T223 L224 I225V6-L8 PolarHBondContact O-N 3.01Å; V6-A44 HydrophobicContact CG2-CB 4.16Å; V6-L47 HydrophobicContact CG1-CB 3.86Å; V6-L103 HydrophobicContact CG1-CD2 3.81Å; V6-L103 HydrophobicContact CG2-CD2 3.91Å; V6-F216 HydrophobicContact CG1-CE1 4.44Å; V6-C222 HydrophobicContact CG2-CB 4.07Å; V6-T223 PolarHBondContact N-O 2.86Å; V6-L224 HydrophobicContact CB-CD2 4.02Å; V6-L224 HydrophobicContact CG1-CD2 4.11Å; V6-L224 WeakPolarHBondContact O-CA 3.35Å; V6-I225 PolarHBondContact O-N 2.98Å
7R96.1Very high91.5Very high55 Ų5570.3 Ų70.321%0.20834%0.341CS..EExtended strand (participates in β ladder)trans-70.5128.3176.2-60.8-148.1-168.4-133.3-18.9110.7W26 E43 G45 A46 L47 I225 E227R7-W26 HydrophobicContact CB-CH2 4.08Å; R7-W26 HydrophobicContact CB-CZ2 4.14Å; R7-W26 VanDerWaalsContact CD-CH2 3.47Å; R7-W26 HydrophobicContact CG-CH2 3.79Å; R7-W26 HydrophobicContact CG-CZ2 4.28Å; R7-E43 WeakPolarHBondContact CD-OE1 3.25Å; R7-E43 HydrophobicContact CG-CG 4.45Å; R7-E43 WeakPolarHBondContact CG-OE1 3.39Å; R7-E43 IonicContact CZ-OE1 3.55Å; R7-E43 IonicContact CZ-OE2 3.68Å; R7-E43 VanDerWaalsContact NE-CD 3.29Å; R7-E43 IonicContact NE-OE1 3.85Å; R7-E43 PolarHBondContact NE-OE1 2.92Å; R7-E43 IonicContact NE-OE2 3.57Å; R7-E43 PolarHBondContact NE-OE2 3.17Å; R7-E43 IonicContact NH2-OE1 3.57Å; R7-E43 IonicContact NH2-OE2 2.79Å; R7-E43 PolarHBondContact NH2-OE2 3.13Å; R7-G45 PolarHBondContact N-O 3Å; R7-A46 HydrophobicContact CB-CB 4.1Å; R7-A46 CarbonylContact O-C 3.57Å; R7-A46 VanDerWaalsContact O-CA 3.23Å; R7-A46 WeakPolarHBondContact O-CA 3.36Å; R7-L47 PolarHBondContact O-N 3.29Å; R7-I225 CarbonylContact C-O 3.56Å; R7-I225 WeakPolarHBondContact CA-O 3.47Å; R7-I225 HydrophobicContact CB-CG1 4.47Å; R7-I225 HydrophobicContact CG-CD1 3.97Å; R7-I225 HydrophobicContact CG-CG1 4Å; R7-E227 WeakPolarHBondContact CD-OE1 3.27Å; R7-E227 IonicContact CZ-OE1 3.75Å; R7-E227 IonicContact NE-OE1 3.38Å; R7-E227 IonicContact NH1-OE1 2.99Å; R7-E227 PolarHBondContact NH1-OE1 2.9Å
8L96.9Very high91.8Very high21 Ų2172.4 Ų72.411%0.1135%0.35CS..EExtended strand (participates in β ladder)trans-92.6120.1173.1174.859.2000109.1V6 R10 L47 L49 L213 L224 I225V6-L8 PolarHBondContact O-N 3.01Å; L8-R10 HydrophobicContact CD1-CG 4.18Å; L8-R10 HydrophobicContact CG-CG 4.23Å; L8-L47 HydrophobicContact CD1-CD2 4.22Å; L8-L47 HydrophobicContact CD1-CG 4.44Å; L8-L49 HydrophobicContact CD1-CD1 3.68Å; L8-L49 HydrophobicContact CD1-CG 4.18Å; L8-L213 HydrophobicContact CD1-CD2 3.76Å; L8-L213 HydrophobicContact CD2-CD1 3.73Å; L8-L213 HydrophobicContact CD2-CD2 4.16Å; L8-L224 HydrophobicContact CB-CB 4.42Å; L8-L224 HydrophobicContact CD2-CD1 4.49Å; L8-I225 PolarHBondContact N-O 3.42Å
9V97Very high92.2Very high25 Ų2568.6 Ų68.615%0.15233%0.332CS..EExtended strand (participates in β ladder)trans-119.8115.6173.7-171.90000108.8L11 L22 L47 L48 L49V9-L11 HydrophobicContact CG1-CD2 4.02Å; V9-L11 HydrophobicContact CG1-CG 4.37Å; V9-L22 HydrophobicContact CG1-CD2 3.92Å; V9-L47 PolarHBondContact N-O 3.44Å; V9-L48 HydrophobicContact CB-CD2 3.75Å; V9-L48 HydrophobicContact CG1-CD2 4.48Å; V9-L48 HydrophobicContact CG2-CD2 3.85Å; V9-L49 PolarHBondContact O-N 2.86Å
10R96.4Very high92.4Very high141 Ų14167.2 Ų67.253%0.53233%0.326SS..EExtended strand (participates in β ladder)trans-104.5116.9175.6-59.9-175.4-170.6-171.57108.8L8L8-R10 HydrophobicContact CD1-CG 4.18Å; L8-R10 HydrophobicContact CG-CG 4.23Å
11L95.8Very high92.7Very high52 Ų5265.2 Ų65.227%0.27232%0.323SS..EExtended strand (participates in β ladder)trans-95-12.5-176.7-61.1167.8000112.9V9 V14 L19 L22 L49 C50V9-L11 HydrophobicContact CG1-CD2 4.02Å; V9-L11 HydrophobicContact CG1-CG 4.37Å; L11-V14 HydrophobicContact CB-CG1 3.92Å; L11-V14 HydrophobicContact CB-CG2 4.05Å; L11-V14 HydrophobicContact CD1-CG2 4.28Å; L11-V14 VanDerWaalsContact O-CG1 3.32Å; L11-V14 WeakPolarHBondContact O-CG1 3.42Å; L11-L19 HydrophobicContact CD1-CD1 4.08Å; L11-L22 HydrophobicContact CD1-CD2 3.86Å; L11-L22 HydrophobicContact CD2-CD2 3.79Å; L11-L22 HydrophobicContact CG-CD2 4.21Å; L11-L49 PolarHBondContact N-O 3.48Å; L11-C50 HydrophobicContact CB-CB 3.83Å; L11-C50 HydrophobicContact CD1-CB 4.1Å; L11-C50 HydrophobicContact CG-CB 4.49Å
12G96.3Very high94.7Very high39 Ų3954.5 Ų54.540%0.40227%0.271SS..EExtended strand (participates in β ladder)trans65.3-141.6-168.500000110.7C50 E51G12-C50 CarbonylContact O-C 3.58Å; G12-C50 WeakPolarHBondContact O-CA 3.37Å; G12-C50 WeakPolarHBondContact O-CB 3.41Å; G12-E51 PolarHBondContact O-N 3.48Å
13R97.8Very high95.9Very high152 Ų15244.4 Ų44.457%0.57423%0.233SC*.EExtended strand (participates in β ladder)trans-90.3113.8179.3-174.7178.5-74.6-175.43.5110.6E51 A53R13-E51 CarbonylContact C-O 3.55Å; R13-E51 VanDerWaalsContact CA-O 3.26Å; R13-E51 WeakPolarHBondContact CA-O 3.38Å; R13-E51 HydrophobicContact CB-CB 4.49Å; R13-E51 IonicContact CZ-OE1 2.78Å; R13-E51 IonicContact NE-OE1 3.54Å; R13-E51 PolarHBondContact NE-OE1 3.43Å; R13-E51 IonicContact NH2-OE1 3.74Å; R13-E51 PolarHBondContact NH2-OE1 3.21Å; R13-A53 VanDerWaalsContact CG-CA 3.47Å; R13-A53 HydrophobicContact CG-CB 3.92Å
14V98.3Very high96.6Very high13 Ų1343.5 Ų43.58%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-136.2153.2-174.1-65.70000113.4L11 E18 C50 E51 A53L11-V14 HydrophobicContact CB-CG1 3.92Å; L11-V14 HydrophobicContact CB-CG2 4.05Å; L11-V14 HydrophobicContact CD1-CG2 4.28Å; L11-V14 VanDerWaalsContact O-CG1 3.32Å; L11-V14 WeakPolarHBondContact O-CG1 3.42Å; V14-E18 HydrophobicContact CB-CB 4.43Å; V14-C50 HydrophobicContact CG2-CB 3.9Å; V14-E51 PolarHBondContact N-O 3.36Å; V14-A53 VanDerWaalsContact C-CB 3.42Å; V14-A53 WeakPolarHBondContact O-CB 3.17Å; V14-A53 PolarHBondContact O-N 2.9Å
15P98.2Very high96.8Very high60 Ų6049.1 Ų49.139%0.3925%0.249SC..  trans-53.3139.3165-24.133.5000111.3A17 E18P15-A17 PolarHBondContact O-N 2.98Å; P15-E18 HydrophobicContact CB-CG 4.41Å; P15-E18 VanDerWaalsContact CD-OE1 3.25Å; P15-E18 WeakPolarHBondContact CD-OE1 3.41Å; P15-E18 WeakPolarHBondContact CG-OE1 3.49Å; P15-E18 PolarHBondContact O-N 3.44Å
16Y97.7Very high96.9Very high5 Ų549.3 Ų49.32%0.0225%0.248CC..Hα-helixtrans-59.4-24-179.1-170.4-102.2000112.9E18 L19 L20 V56 T58 T83 H92 L98Y16-E18 VanDerWaalsContact C-N 3.34Å; Y16-E18 PolarHBondContact O-N 3.08Å; Y16-L19 HydrophobicContact CD2-CD2 4.17Å; Y16-L19 HydrophobicContact CE2-CD2 4.04Å; Y16-L19 PolarHBondContact O-N 3.08Å; Y16-L20 HydrophobicContact CD1-CD1 3.86Å; Y16-L20 HydrophobicContact CD1-CG 3.99Å; Y16-L20 HydrophobicContact CE1-CD1 3.71Å; Y16-L20 HydrophobicContact CE1-CD2 3.84Å; Y16-L20 HydrophobicContact CE1-CG 3.76Å; Y16-L20 WeakPolarHBondContact O-CG 3.45Å; Y16-L20 PolarHBondContact O-N 3.24Å; Y16-L20 VanDerWaalsContact O-N 3.1Å; Y16-V56 HydrophobicContact CD1-CG1 4Å; Y16-V56 HydrophobicContact CG-CG1 3.99Å; Y16-V56 HydrophobicContact CG-CG2 4.47Å; Y16-T58 HydrophobicContact CD1-CG2 4.39Å; Y16-T58 HydrophobicContact CE1-CG2 3.6Å; Y16-T58 HydrophobicContact CE2-CG2 4.46Å; Y16-T83 HydrophobicContact CE1-CG2 4.31Å; Y16-H92 AromaticContact CE2-CD2 3.93Å; Y16-L98 HydrophobicContact CD2-CD1 4.1Å; Y16-L98 HydrophobicContact CE2-CD1 4Å
17A96.8Very high96.9Very high44 Ų4450.4 Ų50.436%0.36425%0.253SS..Hα-helixtrans-63.5-38.2176.200000112.6P15 L20 G21P15-A17 PolarHBondContact O-N 2.98Å; A17-L20 PolarHBondContact O-N 2.68Å; A17-G21 PolarHBondContact O-N 3.04Å
18E97.8Very high96.8Very high108 Ų10855 Ų5551%0.50527%0.27SS..Hα-helixtrans-68.7-40.3-179.1-66.2-176.6-147.200110.9V14 P15 Y16 G21 L22V14-E18 HydrophobicContact CB-CB 4.43Å; P15-E18 HydrophobicContact CB-CG 4.41Å; P15-E18 VanDerWaalsContact CD-OE1 3.25Å; P15-E18 WeakPolarHBondContact CD-OE1 3.41Å; P15-E18 WeakPolarHBondContact CG-OE1 3.49Å; P15-E18 PolarHBondContact O-N 3.44Å; Y16-E18 VanDerWaalsContact C-N 3.34Å; Y16-E18 PolarHBondContact O-N 3.08Å; E18-G21 PolarHBondContact O-N 3.22Å; E18-L22 WeakPolarHBondContact O-CB 3.45Å; E18-L22 PolarHBondContact O-N 3.05Å
19L98Very high96.6Very high1 Ų159.8 Ų59.81%0.00529%0.287CS..Hα-helixtrans-60.5-43.4172.2177.164.4000111.8L11 Y16 Q23 L48 C50 L98 H100L11-L19 HydrophobicContact CD1-CD1 4.08Å; Y16-L19 HydrophobicContact CD2-CD2 4.17Å; Y16-L19 HydrophobicContact CE2-CD2 4.04Å; Y16-L19 PolarHBondContact O-N 3.08Å; L19-Q23 WeakPolarHBondContact O-CG 3.26Å; L19-Q23 PolarHBondContact O-N 3.46Å; L19-Q23 PolarHBondContact O-NE2 3.45Å; L19-L48 HydrophobicContact CD1-CB 4.15Å; L19-L48 HydrophobicContact CD1-CD1 4.44Å; L19-C50 VanDerWaalsContact CD2-SG 3.57Å; L19-L98 HydrophobicContact CD2-CB 4.42Å; L19-L98 HydrophobicContact CD2-CD1 3.61Å; L19-H100 HydrophobicContact CD1-CB 4.32Å; L19-H100 WeakPolarHBondContact CD2-CE1 3.49Å
20L97.3Very high96.3Very high39 Ų3960.2 Ų60.220%0.20429%0.288CS..Hα-helixtrans-63.9-46.7175.4-68.7-179.9000111.4Y16 A17 L22 Q23 D24Y16-L20 HydrophobicContact CD1-CD1 3.86Å; Y16-L20 HydrophobicContact CD1-CG 3.99Å; Y16-L20 HydrophobicContact CE1-CD1 3.71Å; Y16-L20 HydrophobicContact CE1-CD2 3.84Å; Y16-L20 HydrophobicContact CE1-CG 3.76Å; Y16-L20 WeakPolarHBondContact O-CG 3.45Å; Y16-L20 PolarHBondContact O-N 3.24Å; Y16-L20 VanDerWaalsContact O-N 3.1Å; A17-L20 PolarHBondContact O-N 2.68Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.29Å; L20-Q23 WeakPolarHBondContact O-CB 3.48Å; L20-Q23 PolarHBondContact O-N 3.26Å; L20-Q23 VanDerWaalsContact O-N 3.16Å; L20-D24 PolarHBondContact O-N 2.83Å
21G97.6Very high96Very high27 Ų2757.4 Ų57.428%0.27828%0.281SS..Hα-helixtrans-60.3-38.5178.700000112.8A17 E18 D24 R25A17-G21 PolarHBondContact O-N 3.04Å; E18-G21 PolarHBondContact O-N 3.22Å; G21-D24 PolarHBondContact O-N 2.96Å; G21-R25 WeakPolarHBondContact O-CG 3.21Å; G21-R25 PolarHBondContact O-N 3.32Å; G21-R25 VanDerWaalsContact O-N 3.08Å
22L96.9Very high95.5Very high14 Ų1458 Ų587%0.07329%0.294CS..Hα-helixtrans-69.2-40.2175.3-178.261.6000112.4V9 L11 E18 L20 D24 R25 W26 L48V9-L22 HydrophobicContact CG1-CD2 3.92Å; L11-L22 HydrophobicContact CD1-CD2 3.86Å; L11-L22 HydrophobicContact CD2-CD2 3.79Å; L11-L22 HydrophobicContact CG-CD2 4.21Å; E18-L22 WeakPolarHBondContact O-CB 3.45Å; E18-L22 PolarHBondContact O-N 3.05Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.29Å; L22-D24 VanDerWaalsContact C-N 3.3Å; L22-D24 PolarHBondContact O-N 3.46Å; L22-R25 VanDerWaalsContact CD1-NH2 3.27Å; L22-R25 PolarHBondContact O-N 3.22Å; L22-W26 PolarHBondContact O-N 3.23Å; L22-L48 HydrophobicContact CB-CD1 4.31Å; L22-L48 HydrophobicContact CD2-CD1 3.96Å; L22-L48 HydrophobicContact CD2-CD2 3.67Å; L22-L48 HydrophobicContact CD2-CG 4.29Å; L22-L48 HydrophobicContact CG-CD1 3.8Å; L22-L48 HydrophobicContact CG-CD2 4.02Å
23Q97.2Very high93.8Very high3 Ų363.8 Ų63.81%0.01431%0.31CS..Hα-helixtrans-58.5-44.1172.7-74.6174.888.100111.5L19 L20 R25 W26 L27 L48 H100 V102 H166L19-Q23 WeakPolarHBondContact O-CG 3.26Å; L19-Q23 PolarHBondContact O-N 3.46Å; L19-Q23 PolarHBondContact O-NE2 3.45Å; L20-Q23 WeakPolarHBondContact O-CB 3.48Å; L20-Q23 PolarHBondContact O-N 3.26Å; L20-Q23 VanDerWaalsContact O-N 3.16Å; Q23-R25 VanDerWaalsContact C-N 3.33Å; Q23-R25 PolarHBondContact O-N 2.93Å; Q23-W26 PolarHBondContact O-N 3.43Å; Q23-L27 WeakPolarHBondContact O-CB 3.28Å; Q23-L27 VanDerWaalsContact O-CG 3.29Å; Q23-L27 WeakPolarHBondContact O-CG 3.3Å; Q23-L27 PolarHBondContact O-N 3.06Å; Q23-L48 HydrophobicContact CB-CD1 4.43Å; Q23-L48 HydrophobicContact CG-CD1 3.6Å; Q23-H100 HydrophobicContact CG-CB 4.44Å; Q23-H100 PolarHBondContact NE2-ND1 3.09Å; Q23-H100 PolarHBondContact OE1-ND1 3.11Å; Q23-V102 HydrophobicContact CB-CG2 4.18Å; Q23-V102 HydrophobicContact CG-CG2 3.81Å; Q23-H166 VanDerWaalsContact OE1-CA 3.32Å
24D96.5Very high91.8Very high78 Ų7862.5 Ų62.542%0.41732%0.322SS..Hα-helixtrans-64.2-37.1179.1-72.7-17.6000112.4L20 G21 L22 R28L20-D24 PolarHBondContact O-N 2.83Å; G21-D24 PolarHBondContact O-N 2.96Å; L22-D24 VanDerWaalsContact C-N 3.3Å; L22-D24 PolarHBondContact O-N 3.46Å; D24-R28 WeakPolarHBondContact O-CG 3.31Å; D24-R28 PolarHBondContact O-N 3.36Å
25R96.1Very high89.5Confident144 Ų14465.1 Ų65.154%0.54335%0.352SS..Hα-helixtrans-61.7-47172.7-72.7-166-61.1-97.410.3111.6G21 L22 Q23 R28 R29G21-R25 WeakPolarHBondContact O-CG 3.21Å; G21-R25 PolarHBondContact O-N 3.32Å; G21-R25 VanDerWaalsContact O-N 3.08Å; L22-R25 VanDerWaalsContact CD1-NH2 3.27Å; L22-R25 PolarHBondContact O-N 3.22Å; Q23-R25 VanDerWaalsContact C-N 3.33Å; Q23-R25 PolarHBondContact O-N 2.93Å; R25-R28 PolarHBondContact O-N 3.35Å; R25-R29 WeakPolarHBondContact O-CB 3.21Å; R25-R29 PolarHBondContact O-N 3.44Å
26W95.3Very high87Confident15 Ų1567.7 Ų67.76%0.05737%0.366CS..Hα-helixtrans-66.4-39.9178.4-85.6104.5000112.8R7 L22 Q23 R29 L30 E43 A46 V102R7-W26 HydrophobicContact CB-CH2 4.08Å; R7-W26 HydrophobicContact CB-CZ2 4.14Å; R7-W26 VanDerWaalsContact CD-CH2 3.47Å; R7-W26 HydrophobicContact CG-CH2 3.79Å; R7-W26 HydrophobicContact CG-CZ2 4.28Å; L22-W26 PolarHBondContact O-N 3.23Å; Q23-W26 PolarHBondContact O-N 3.43Å; W26-R29 PolarHBondContact O-N 3.37Å; W26-L30 WeakPolarHBondContact O-CG 3.49Å; W26-L30 PolarHBondContact O-N 3.21Å; W26-E43 WeakPolarHBondContact CH2-OE1 3.38Å; W26-E43 WeakPolarHBondContact CZ3-OE1 3.47Å; W26-A46 HydrophobicContact CD2-CB 3.48Å; W26-A46 VanDerWaalsContact CD2-CB 3.48Å; W26-A46 HydrophobicContact CE3-CB 3.85Å; W26-A46 HydrophobicContact CG-CB 4.01Å; W26-A46 HydrophobicContact CH2-CB 4Å; W26-A46 HydrophobicContact CZ2-CB 3.63Å; W26-A46 HydrophobicContact CZ3-CB 4.08Å; W26-V102 HydrophobicContact CB-CB 3.98Å; W26-V102 HydrophobicContact CB-CG1 3.57Å; W26-V102 HydrophobicContact CB-CG2 4.39Å
27L94.9Very high84.4Confident23 Ų2377.4 Ų77.412%0.1241%0.412CS..Hα-helixtrans-57.9-50.4173.9-78.3169.6000111Q23 R29 L30 Q31 V102 I163Q23-L27 WeakPolarHBondContact O-CB 3.28Å; Q23-L27 VanDerWaalsContact O-CG 3.29Å; Q23-L27 WeakPolarHBondContact O-CG 3.3Å; Q23-L27 PolarHBondContact O-N 3.06Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.41Å; L27-L30 PolarHBondContact O-N 3.39Å; L27-Q31 VanDerWaalsContact O-CB 3.3Å; L27-Q31 WeakPolarHBondContact O-CB 3.34Å; L27-Q31 WeakPolarHBondContact O-CG 3.47Å; L27-Q31 PolarHBondContact O-N 3.04Å; L27-V102 HydrophobicContact CD2-CG1 4.15Å; L27-V102 HydrophobicContact CG-CG1 4.08Å; L27-I163 HydrophobicContact CD2-CB 4.49Å; L27-I163 HydrophobicContact CD2-CG2 3.71Å
28R94.1Very high82.1Confident151 Ų15178.9 Ų78.957%0.5742%0.424SS*.Hα-helixtrans-60-43.7176.9-74.7-170.3-66.2-88.52.8112D24 R25 L30 Q31 A32D24-R28 WeakPolarHBondContact O-CG 3.31Å; D24-R28 PolarHBondContact O-N 3.36Å; R25-R28 PolarHBondContact O-N 3.35Å; R28-L30 PolarHBondContact O-N 2.69Å; R28-Q31 PolarHBondContact O-N 3.4Å; R28-A32 PolarHBondContact O-N 3.08Å
29R92.1Very high79.7Confident122 Ų12277.1 Ų77.146%0.4642%0.424SS..Hα-helixtrans-59.1-45.2177.6178.3177.2171.6136.3-5.2112.2R25 W26 L27 E43R25-R29 WeakPolarHBondContact O-CB 3.21Å; R25-R29 PolarHBondContact O-N 3.44Å; W26-R29 PolarHBondContact O-N 3.37Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.41Å; R29-E43 IonicContact NH2-OE1 3.36Å; R29-E43 IonicContact NH2-OE2 2.88Å
30L91.4Very high77.2Confident33 Ų3383.5 Ų83.517%0.17347%0.468CS..Hα-helixtrans-76.4-23.4-179.3-68176.3000113.3W26 L27 R28 V102 I163W26-L30 WeakPolarHBondContact O-CG 3.49Å; W26-L30 PolarHBondContact O-N 3.21Å; L27-L30 PolarHBondContact O-N 3.39Å; R28-L30 PolarHBondContact O-N 2.69Å; L30-V102 HydrophobicContact CD1-CG1 4.14Å; L30-V102 WeakPolarHBondContact CD1-O 3.11Å; L30-I163 HydrophobicContact CB-CD1 3.64Å; L30-I163 HydrophobicContact CB-CG1 4.15Å; L30-I163 HydrophobicContact CB-CG2 4.08Å; L30-I163 HydrophobicContact CD1-CG2 3.72Å; L30-I163 WeakPolarHBondContact O-CD1 3.42Å
31Q89.8Confident75.4Confident82 Ų8283.4 Ų83.438%0.38348%0.477SS..Hα-helixtrans-85.9-19.3178.6-73.8173.9-10.600113.9L27 R28 E33 I163L27-Q31 VanDerWaalsContact O-CB 3.3Å; L27-Q31 WeakPolarHBondContact O-CB 3.34Å; L27-Q31 WeakPolarHBondContact O-CG 3.47Å; L27-Q31 PolarHBondContact O-N 3.04Å; R28-Q31 PolarHBondContact O-N 3.4Å; Q31-E33 PolarHBondContact O-N 3.31Å; Q31-I163 HydrophobicContact CB-CD1 4.38Å; Q31-I163 HydrophobicContact CG-CD1 3.5Å
32A84.8Confident73.9Confident66 Ų6685 Ų8555%0.54548%0.482SS..SBendtrans-56.2134.1176.500000110.6R28R28-A32 PolarHBondContact O-N 3.08Å
33E60.5Low73.4Confident159 Ų15986 Ų8674%0.74349%0.486SS*.  trans-64.1144.1-178.6-67.8-171.1164.800111Q31 G35Q31-E33 PolarHBondContact O-N 3.31Å; E33-G35 VanDerWaalsContact C-N 3.27Å; E33-G35 PolarHBondContact O-N 2.91Å
34P57.3Low73.2Confident125 Ų12585.9 Ų85.981%0.81249%0.486SS*.THydrogen-bonded Turntrans-71.384178.828.5-32.1000110
35G49.8Very low73.2Confident69 Ų6982.2 Ų82.271%0.71147%0.466SS*.THydrogen-bonded Turntrans-145.6-4179.700000115.4E33E33-G35 VanDerWaalsContact C-N 3.27Å; E33-G35 PolarHBondContact O-N 2.91Å
36T44.9Very low73.2Confident113 Ų11375.3 Ų75.369%0.69344%0.44SS*.SBendtrans-136.588.3178.446.40000109.9A38T36-A38 WeakPolarHBondContact O-CB 3.39Å; T36-A38 PolarHBondContact O-N 3.37Å
37E43.5Very low73.4Confident209 Ų20974.6 Ų74.698%0.97744%0.437SS*.SBendtrans47.82.2158.5-61.3-171.2160.800121.1
38A47.5Very low73.6Confident76 Ų7673.5 Ų73.563%0.62843%0.431SS*.  trans-114.814.8-165.800000115.4T36T36-A38 WeakPolarHBondContact O-CB 3.39Å; T36-A38 PolarHBondContact O-N 3.37Å
39S49.1Very low73.8Confident71 Ų7166.3 Ų66.350%0.49740%0.404SS..  trans-146.742.4-176.6-76.10000114.9
40S45.6Very low74.1Confident134 Ų13460.6 Ų60.694%0.93738%0.383SS*.SBendtrans-82.80.7158.859.70000113
41G57.8Low74.4Confident38 Ų3860 Ų6039%0.39238%0.379SS..SBendtrans-96.9151.6-171.800000115.4E43 R107G41-E43 PolarHBondContact O-N 3.43Å; G41-R107 PolarHBondContact O-NH1 3.01Å
42T66.2Low74.8Confident61 Ų6156.1 Ų56.137%0.37436%0.361SS..  trans-67.213.516753.30000113.8A5 A44A5-T42 PolarHBondContact N-O 3.38Å; T42-A44 PolarHBondContact O-N 2.99Å
43E87.3Confident75.4Confident35 Ų3555.2 Ų55.216%0.16435%0.354CS..EExtended strand (participates in β ladder)trans-73.7121.7-177.3-165.9-179156.800109.9A5 R7 W26 R29 G41 R107A5-E43 CarbonylContact O-C 3.58Å; A5-E43 WeakPolarHBondContact O-CA 3.28Å; R7-E43 WeakPolarHBondContact CD-OE1 3.25Å; R7-E43 HydrophobicContact CG-CG 4.45Å; R7-E43 WeakPolarHBondContact CG-OE1 3.39Å; R7-E43 IonicContact CZ-OE1 3.55Å; R7-E43 IonicContact CZ-OE2 3.68Å; R7-E43 VanDerWaalsContact NE-CD 3.29Å; R7-E43 IonicContact NE-OE1 3.85Å; R7-E43 PolarHBondContact NE-OE1 2.92Å; R7-E43 IonicContact NE-OE2 3.57Å; R7-E43 PolarHBondContact NE-OE2 3.17Å; R7-E43 IonicContact NH2-OE1 3.57Å; R7-E43 IonicContact NH2-OE2 2.79Å; R7-E43 PolarHBondContact NH2-OE2 3.13Å; W26-E43 WeakPolarHBondContact CH2-OE1 3.38Å; W26-E43 WeakPolarHBondContact CZ3-OE1 3.47Å; R29-E43 IonicContact NH2-OE1 3.36Å; R29-E43 IonicContact NH2-OE2 2.88Å; G41-E43 PolarHBondContact O-N 3.43Å; E43-R107 WeakPolarHBondContact O-CD 3.39Å; E43-R107 PolarHBondContact O-NH1 3.46Å; E43-R107 VanDerWaalsContact O-NH1 3.1Å
44A93.3Very high77.2Confident0 Ų048.7 Ų48.70%033%0.329CS..EExtended strand (participates in β ladder)trans-97-6.8-177.600000113.4P4 A5 V6 T42 L103 D104 R107 L108P4-A44 HydrophobicContact CB-CB 4.16Å; A5-A44 PolarHBondContact O-N 2.89Å; V6-A44 HydrophobicContact CG2-CB 4.16Å; T42-A44 PolarHBondContact O-N 2.99Å; A44-L103 CarbonylContact O-C 3.52Å; A44-L103 VanDerWaalsContact O-CA 3.32Å; A44-L103 WeakPolarHBondContact O-CA 3.32Å; A44-D104 PolarHBondContact O-N 2.74Å; A44-R107 HydrophobicContact CB-CB 3.99Å; A44-L108 HydrophobicContact CB-CD1 4.04Å; A44-L108 HydrophobicContact CB-CD2 4.24Å; A44-L108 HydrophobicContact CB-CG 3.87Å
45G95.6Very high79.2Confident0 Ų044.4 Ų44.40%030%0.301CS..EExtended strand (participates in β ladder)trans129.4-149.3-177.800000112R7 V102R7-G45 PolarHBondContact N-O 3Å; G45-V102 WeakPolarHBondContact CA-O 3.46Å
46A97.4Very high81.5Confident0 Ų041.3 Ų41.30%027%0.269CS..EExtended strand (participates in β ladder)trans-132.2148.2-175.800000113.6R7 W26 L48 P101 V102R7-A46 HydrophobicContact CB-CB 4.1Å; R7-A46 CarbonylContact O-C 3.57Å; R7-A46 VanDerWaalsContact O-CA 3.23Å; R7-A46 WeakPolarHBondContact O-CA 3.36Å; W26-A46 HydrophobicContact CD2-CB 3.48Å; W26-A46 VanDerWaalsContact CD2-CB 3.48Å; W26-A46 HydrophobicContact CE3-CB 3.85Å; W26-A46 HydrophobicContact CG-CB 4.01Å; W26-A46 HydrophobicContact CH2-CB 4Å; W26-A46 HydrophobicContact CZ2-CB 3.63Å; W26-A46 HydrophobicContact CZ3-CB 4.08Å; A46-L48 HydrophobicContact CB-CD2 3.88Å; A46-P101 CarbonylContact O-C 3.57Å; A46-P101 WeakPolarHBondContact O-CA 3.23Å; A46-V102 PolarHBondContact N-O 2.89Å; A46-V102 PolarHBondContact O-N 3.3Å
47L98.3Very high84Confident0 Ų036 Ų360%024%0.236CC..EExtended strand (participates in β ladder)trans-105105.7168.817862.9000108.1V6 R7 L8 V9 L49 C99 P101 L213 F216 L224V6-L47 HydrophobicContact CG1-CB 3.86Å; R7-L47 PolarHBondContact O-N 3.29Å; L8-L47 HydrophobicContact CD1-CD2 4.22Å; L8-L47 HydrophobicContact CD1-CG 4.44Å; V9-L47 PolarHBondContact N-O 3.44Å; L47-L49 HydrophobicContact CD1-CD2 3.89Å; L47-L49 HydrophobicContact CD2-CD1 4.21Å; L47-L49 HydrophobicContact CD2-CD2 4.29Å; L47-L49 HydrophobicContact CD2-CG 4.41Å; L47-L49 HydrophobicContact CG-CD1 4.37Å; L47-L49 HydrophobicContact CG-CD2 3.86Å; L47-L49 HydrophobicContact CG-CG 4.04Å; L47-C99 WeakPolarHBondContact CD1-SG 3.42Å; L47-P101 HydrophobicContact CD1-CB 4.21Å; L47-L213 HydrophobicContact CD2-CD2 3.9Å; L47-F216 HydrophobicContact CB-CZ 4.45Å; L47-F216 HydrophobicContact CD1-CD2 4.07Å; L47-F216 HydrophobicContact CD1-CE2 3.62Å; L47-F216 HydrophobicContact CD1-CZ 3.92Å; L47-F216 HydrophobicContact CD2-CD1 3.82Å; L47-F216 HydrophobicContact CD2-CD2 3.98Å; L47-F216 HydrophobicContact CD2-CE1 3.95Å; L47-F216 HydrophobicContact CD2-CE2 4.11Å; L47-F216 HydrophobicContact CD2-CG 3.83Å; L47-F216 HydrophobicContact CD2-CZ 4.1Å; L47-F216 HydrophobicContact CG-CE2 4.42Å; L47-F216 HydrophobicContact CG-CZ 4.39Å; L47-L224 HydrophobicContact CD2-CD2 4.17Å
48L98.4Very high86.5Confident0 Ų026 Ų260%019%0.189CC..EExtended strand (participates in β ladder)trans-94.2119.9179.6-45.2-179.2000109.1V9 L19 L22 Q23 A46 H100 V102V9-L48 HydrophobicContact CB-CD2 3.75Å; V9-L48 HydrophobicContact CG1-CD2 4.48Å; V9-L48 HydrophobicContact CG2-CD2 3.85Å; L19-L48 HydrophobicContact CD1-CB 4.15Å; L19-L48 HydrophobicContact CD1-CD1 4.44Å; L22-L48 HydrophobicContact CB-CD1 4.31Å; L22-L48 HydrophobicContact CD2-CD1 3.96Å; L22-L48 HydrophobicContact CD2-CD2 3.67Å; L22-L48 HydrophobicContact CD2-CG 4.29Å; L22-L48 HydrophobicContact CG-CD1 3.8Å; L22-L48 HydrophobicContact CG-CD2 4.02Å; Q23-L48 HydrophobicContact CB-CD1 4.43Å; Q23-L48 HydrophobicContact CG-CD1 3.6Å; A46-L48 HydrophobicContact CB-CD2 3.88Å; L48-H100 HydrophobicContact CB-CB 4.25Å; L48-H100 WeakPolarHBondContact CB-O 3.31Å; L48-H100 WeakPolarHBondContact CG-O 3.2Å; L48-H100 PolarHBondContact N-O 2.99Å; L48-H100 VanDerWaalsContact N-O 3.1Å; L48-H100 PolarHBondContact O-N 2.85Å; L48-V102 HydrophobicContact CD1-CG2 3.99Å; L48-V102 HydrophobicContact CG-CG2 4.45Å
49L98.5Very high88.7Confident0 Ų022.8 Ų22.80%016%0.163CC..EExtended strand (participates in β ladder)trans-118.7131.2-179.3-56.1-178.6000110.2L8 V9 L11 L47 L98 C99 M209 F212 L213L8-L49 HydrophobicContact CD1-CD1 3.68Å; L8-L49 HydrophobicContact CD1-CG 4.18Å; V9-L49 PolarHBondContact O-N 2.86Å; L11-L49 PolarHBondContact N-O 3.48Å; L47-L49 HydrophobicContact CD1-CD2 3.89Å; L47-L49 HydrophobicContact CD2-CD1 4.21Å; L47-L49 HydrophobicContact CD2-CD2 4.29Å; L47-L49 HydrophobicContact CD2-CG 4.41Å; L47-L49 HydrophobicContact CG-CD1 4.37Å; L47-L49 HydrophobicContact CG-CD2 3.86Å; L47-L49 HydrophobicContact CG-CG 4.04Å; L49-L98 WeakPolarHBondContact CA-O 3.4Å; L49-C99 HydrophobicContact CD2-CB 3.49Å; L49-C99 VanDerWaalsContact CD2-CB 3.49Å; L49-M209 HydrophobicContact CB-CE 4.2Å; L49-M209 HydrophobicContact CB-SD 3.73Å; L49-M209 HydrophobicContact CD1-CG 4.46Å; L49-M209 HydrophobicContact CD1-SD 3.37Å; L49-M209 WeakPolarHBondContact CD1-SD 3.18Å; L49-M209 HydrophobicContact CG-SD 4.11Å; L49-F212 HydrophobicContact CD1-CD1 4.43Å; L49-F212 HydrophobicContact CD2-CD1 4.36Å; L49-F212 HydrophobicContact CD2-CE1 3.96Å; L49-L213 HydrophobicContact CD1-CD2 3.47Å; L49-L213 VanDerWaalsContact CD1-CD2 3.47Å; L49-L213 HydrophobicContact CD1-CG 4.32Å
50C98.3Very high90.8Very high2 Ų219.6 Ų19.61%0.01414%0.141CC..EExtended strand (participates in β ladder)trans-156.8172.5178.172.10000112.3L11 G12 V14 L19 L98L11-C50 HydrophobicContact CB-CB 3.83Å; L11-C50 HydrophobicContact CD1-CB 4.1Å; L11-C50 HydrophobicContact CG-CB 4.49Å; G12-C50 CarbonylContact O-C 3.58Å; G12-C50 WeakPolarHBondContact O-CA 3.37Å; G12-C50 WeakPolarHBondContact O-CB 3.41Å; V14-C50 HydrophobicContact CG2-CB 3.9Å; L19-C50 VanDerWaalsContact CD2-SG 3.57Å; C50-L98 PolarHBondContact N-O 3.1Å; C50-L98 VanDerWaalsContact N-O 3.07Å; C50-L98 PolarHBondContact O-N 3Å
51E98.1Very high92.9Very high19 Ų1919.4 Ų19.49%0.08913%0.129CC..EExtended strand (participates in β ladder)trans-117.1137.6164.8-173.7-178.6143.100108.6G12 R13 V14 A53 P94 G95 V205G12-E51 PolarHBondContact O-N 3.48Å; R13-E51 CarbonylContact C-O 3.55Å; R13-E51 VanDerWaalsContact CA-O 3.26Å; R13-E51 WeakPolarHBondContact CA-O 3.38Å; R13-E51 HydrophobicContact CB-CB 4.49Å; R13-E51 IonicContact CZ-OE1 2.78Å; R13-E51 IonicContact NE-OE1 3.54Å; R13-E51 PolarHBondContact NE-OE1 3.43Å; R13-E51 IonicContact NH2-OE1 3.74Å; R13-E51 PolarHBondContact NH2-OE1 3.21Å; V14-E51 PolarHBondContact N-O 3.36Å; E51-A53 PolarHBondContact O-N 2.89Å; E51-P94 WeakPolarHBondContact OE1-CA 3.37Å; E51-G95 VanDerWaalsContact CD-N 3.29Å; E51-G95 PolarHBondContact OE1-N 3.38Å; E51-V205 HydrophobicContact CB-CG1 4.43Å; E51-V205 HydrophobicContact CB-CG2 4.33Å; E51-V205 HydrophobicContact CG-CG2 4.05Å; E51-V205 WeakPolarHBondContact OE2-CB 3.46Å; E51-V205 WeakPolarHBondContact OE2-CG2 3.37Å
52P98.3Very high94.2Very high1 Ų127.1 Ų27.11%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-63.9133.4173.7-20.232.1000111.8G54 H92 G93 Q96 L98P52-G54 VanDerWaalsContact C-N 3.26Å; P52-G54 PolarHBondContact O-N 2.97Å; P52-H92 HydrophobicContact CG-CB 3.85Å; P52-G93 WeakPolarHBondContact CD-O 3.35Å; P52-Q96 VanDerWaalsContact CD-O 3.3Å; P52-Q96 WeakPolarHBondContact CD-O 3.33Å; P52-L98 HydrophobicContact CG-CD1 3.75Å; P52-L98 HydrophobicContact CG-CG 3.99Å
53A98Very high95.1Very high47 Ų4725.6 Ų25.639%0.38814%0.142SC..SBendtrans-70.4-20.3176.700000114.5R13 V14 E51R13-A53 VanDerWaalsContact CG-CA 3.47Å; R13-A53 HydrophobicContact CG-CB 3.92Å; V14-A53 VanDerWaalsContact C-CB 3.42Å; V14-A53 WeakPolarHBondContact O-CB 3.17Å; V14-A53 PolarHBondContact O-N 2.9Å; E51-A53 PolarHBondContact O-N 2.89Å
54G98.3Very high94.7Very high23 Ų2326 Ų2624%0.23716%0.156CC..SBendtrans-156.9177.2179.600000111.8P52 V56P52-G54 VanDerWaalsContact C-N 3.26Å; P52-G54 PolarHBondContact O-N 2.97Å; G54-V56 PolarHBondContact O-N 2.86Å
55P98.4Very high94.5Very high34 Ų3427.5 Ų27.522%0.22116%0.164CC..  trans-68.4127.8-179.726.8-32.7000111.5A78 E79 F91 W178P55-A78 HydrophobicContact CB-CB 4.06Å; P55-A78 HydrophobicContact CG-CB 4.31Å; P55-A78 WeakPolarHBondContact O-CA 3.3Å; P55-E79 PolarHBondContact O-N 3.14Å; P55-F91 HydrophobicContact CB-CE2 3.7Å; P55-F91 HydrophobicContact CB-CZ 4.26Å; P55-W178 HydrophobicContact CB-CD2 4.03Å; P55-W178 HydrophobicContact CB-CE3 4.01Å; P55-W178 HydrophobicContact CB-CH2 3.85Å; P55-W178 HydrophobicContact CB-CZ2 3.82Å; P55-W178 HydrophobicContact CB-CZ3 3.95Å; P55-W178 HydrophobicContact CG-CH2 3.84Å; P55-W178 HydrophobicContact CG-CZ2 3.87Å; P55-W178 HydrophobicContact CG-CZ3 4.36Å
56V98.3Very high94.3Very high5 Ų530.5 Ų30.53%0.0318%0.182CC..EExtended strand (participates in β ladder)trans-137.1127.2-179.3-176.40000110.4Y16 G54 T58 E79 F91 H92Y16-V56 HydrophobicContact CD1-CG1 4Å; Y16-V56 HydrophobicContact CG-CG1 3.99Å; Y16-V56 HydrophobicContact CG-CG2 4.47Å; G54-V56 PolarHBondContact O-N 2.86Å; V56-T58 HydrophobicContact CG1-CG2 4.11Å; V56-E79 CarbonylContact C-O 3.33Å; V56-E79 WeakPolarHBondContact CA-O 3.04Å; V56-E79 HydrophobicContact CB-CB 4.3Å; V56-E79 HydrophobicContact CG1-CB 4.14Å; V56-E79 WeakPolarHBondContact CG1-OE1 3.49Å; V56-E79 HydrophobicContact CG2-CB 3.88Å; V56-F91 CarbonylContact O-C 3.56Å; V56-H92 HydrophobicContact CB-CB 4.48Å; V56-H92 PolarHBondContact N-O 2.83Å; V56-H92 PolarHBondContact O-N 3.27Å
57Y97.8Very high94.1Very high0 Ų035.3 Ų35.30%021%0.213CC..EExtended strand (participates in β ladder)trans-99.8135.2166.4-67-88.8000110.6L73 A78 E79 V80 R81 T90 F91 W178 H181 I182Y57-L73 HydrophobicContact CD1-CD1 4.02Å; Y57-L73 HydrophobicContact CD2-CB 4.12Å; Y57-L73 HydrophobicContact CD2-CD1 3.84Å; Y57-L73 HydrophobicContact CD2-CD2 4.08Å; Y57-L73 HydrophobicContact CD2-CG 4.22Å; Y57-L73 HydrophobicContact CE1-CD1 4.3Å; Y57-L73 HydrophobicContact CE1-CD2 4.17Å; Y57-L73 HydrophobicContact CE2-CB 4.25Å; Y57-L73 HydrophobicContact CE2-CD1 4.15Å; Y57-L73 HydrophobicContact CE2-CD2 3.54Å; Y57-L73 HydrophobicContact CE2-CG 4.17Å; Y57-L73 HydrophobicContact CG-CD1 3.74Å; Y57-A78 HydrophobicContact CD2-CB 3.59Å; Y57-A78 HydrophobicContact CE2-CB 3.57Å; Y57-E79 PolarHBondContact N-O 3.5Å; Y57-V80 WeakPolarHBondContact O-CA 3.26Å; Y57-R81 PolarHBondContact O-N 3.09Å; Y57-T90 WeakPolarHBondContact CA-O 3.37Å; Y57-F91 HydrophobicContact CD1-CB 4.03Å; Y57-F91 HydrophobicContact CD1-CD2 4.29Å; Y57-F91 HydrophobicContact CD2-CD2 4.44Å; Y57-F91 HydrophobicContact CE1-CB 3.81Å; Y57-F91 AromaticContact CE1-CD2 3.93Å; Y57-F91 HydrophobicContact CE1-CD2 3.93Å; Y57-F91 HydrophobicContact CE1-CG 4.28Å; Y57-F91 HydrophobicContact CE2-CD2 4.07Å; Y57-F91 AromaticContact CZ-CD2 3.84Å; Y57-W178 AromaticContact CE2-CE3 3.85Å; Y57-W178 HydrophobicContact CE2-CE3 3.85Å; Y57-W178 HydrophobicContact CE2-CZ3 4.24Å; Y57-W178 AromaticContact CZ-CE3 3.99Å; Y57-W178 PolarHBondContact OH-O 3.43Å; Y57-H181 WeakPolarHBondContact OH-CB 3.25Å; Y57-I182 HydrophobicContact CD1-CD1 4.04Å; Y57-I182 HydrophobicContact CD1-CG2 3.7Å; Y57-I182 HydrophobicContact CE1-CB 4.41Å; Y57-I182 HydrophobicContact CE1-CD1 3.97Å; Y57-I182 HydrophobicContact CE1-CG1 4.07Å; Y57-I182 HydrophobicContact CE1-CG2 3.5Å; Y57-I182 VanDerWaalsContact CE1-CG2 3.5Å
58T96.4Very high93.9Very high0 Ų041.7 Ų41.70%024%0.243CC..EExtended strand (participates in β ladder)trans-120.1129.617465.80000110.7Y16 V56 R81 T83 R85 A89 T90 H92Y16-T58 HydrophobicContact CD1-CG2 4.39Å; Y16-T58 HydrophobicContact CE1-CG2 3.6Å; Y16-T58 HydrophobicContact CE2-CG2 4.46Å; V56-T58 HydrophobicContact CG1-CG2 4.11Å; T58-R81 CarbonylContact C-O 3.54Å; T58-R81 VanDerWaalsContact CA-O 3.26Å; T58-R81 WeakPolarHBondContact CA-O 3.41Å; T58-T83 HydrophobicContact CG2-CG2 3.85Å; T58-R85 PolarHBondContact O-NH2 3.43Å; T58-R85 PolarHBondContact OG1-NE 2.94Å; T58-R85 VanDerWaalsContact OG1-NE 3.15Å; T58-R85 PolarHBondContact OG1-NH2 2.86Å; T58-A89 CarbonylContact O-C 3.54Å; T58-A89 VanDerWaalsContact O-CA 3.25Å; T58-A89 WeakPolarHBondContact O-CA 3.37Å; T58-T90 PolarHBondContact N-O 3.36Å; T58-T90 PolarHBondContact O-N 3.1Å; T58-H92 PolarHBondContact OG1-NE2 2.82Å
59A94.3Very high93.7Very high8 Ų844.9 Ų44.97%0.06626%0.258CS..EExtended strand (participates in β ladder)trans-91.7129.916600000109.2L65 R81 T83A59-L65 HydrophobicContact CB-CD1 4.47Å; A59-R81 PolarHBondContact N-O 3.24Å; A59-T83 PolarHBondContact O-N 3.14Å; A59-T83 PolarHBondContact O-OG1 3.34Å
60G91.8Very high93.5Very high4 Ų446 Ų464%0.04127%0.265CS..BIsolated β-bridgetrans-87.4-171.4175.900000112.5R62 G63 R85 G87G60-R62 PolarHBondContact O-N 3.37Å; G60-R62 VanDerWaalsContact O-N 3.11Å; G60-G63 PolarHBondContact O-N 3.47Å; G60-R85 CarbonylContact C-O 3.23Å; G60-R85 WeakPolarHBondContact CA-O 3.44Å; G60-G87 CarbonylContact C-O 3.53Å; G60-G87 WeakPolarHBondContact CA-O 3.26Å
61L89.6Confident93.5Very high131 Ų13148.7 Ų48.769%0.68629%0.287SS*.THydrogen-bonded Turntrans-59-23.7-179.8-71.3174.1000114.2G63 G84 R85L61-G63 VanDerWaalsContact C-N 3.3Å; L61-G84 WeakPolarHBondContact CD1-O 3.32Å; L61-G84 WeakPolarHBondContact CG-O 3.33Å; L61-R85 WeakPolarHBondContact CG-O 3.36Å; L61-R85 PolarHBondContact N-O 3.22Å
62R86.1Confident93.4Very high199 Ų19952.6 Ų52.675%0.75130%0.301SS*.THydrogen-bonded Turntrans-88.70.8177.1-59.6-178.5-177.6169.6-0.3112.6G60 G87 L88G60-R62 PolarHBondContact O-N 3.37Å; G60-R62 VanDerWaalsContact O-N 3.11Å; R62-G87 WeakPolarHBondContact CB-O 3.28Å; R62-G87 PolarHBondContact N-O 2.97Å; R62-L88 HydrophobicContact CB-CD2 3.62Å; R62-L88 HydrophobicContact CB-CG 3.95Å; R62-L88 WeakPolarHBondContact O-CD2 3.32Å
63G85.7Confident93.4Very high29 Ų2952.5 Ų52.530%0.29930%0.301SS..BIsolated β-bridgetrans78.9-137.4-177.400000112.7G60 L61 L88 A89G60-G63 PolarHBondContact O-N 3.47Å; L61-G63 VanDerWaalsContact C-N 3.3Å; G63-L88 CarbonylContact O-C 3.48Å; G63-L88 VanDerWaalsContact O-CA 3.24Å; G63-L88 WeakPolarHBondContact O-CA 3.41Å; G63-A89 PolarHBondContact O-N 3Å; G63-A89 VanDerWaalsContact O-N 3.1Å
64G78.6Confident93.3Very high43 Ų4357 Ų5744%0.44331%0.308SS..  trans111.411.8175.500000115.7A89G64-A89 VanDerWaalsContact O-CB 3.28Å; G64-A89 WeakPolarHBondContact O-CB 3.27Å
65L88.7Confident93.3Very high33 Ų3360.2 Ų60.217%0.17333%0.332CS..  trans-136.9128.6167.8-67.6174.5000109.8A59 E69 L73 V80 A89 I182A59-L65 HydrophobicContact CB-CD1 4.47Å; L65-E69 VanDerWaalsContact CA-OE2 3.3Å; L65-E69 WeakPolarHBondContact CA-OE2 3.45Å; L65-E69 HydrophobicContact CD2-CB 4.26Å; L65-L73 HydrophobicContact CD1-CD1 4.14Å; L65-L73 HydrophobicContact CD2-CD1 3.74Å; L65-V80 HydrophobicContact CD1-CG1 3.7Å; L65-A89 HydrophobicContact CD1-CB 4.45Å; L65-A89 HydrophobicContact CD2-CB 4.11Å; L65-A89 HydrophobicContact CG-CB 3.85Å; L65-I182 HydrophobicContact CD2-CG2 3.91Å
66T91.6Very high93.2Very high62 Ų6262.3 Ų62.338%0.3834%0.341SS..  trans-77.3165.8169.183.50000111.1E68 E69 T70T66-E68 VanDerWaalsContact C-N 3.28Å; T66-E68 WeakPolarHBondContact CB-OE2 3.46Å; T66-E68 PolarHBondContact O-N 3.47Å; T66-E68 PolarHBondContact OG1-N 3.05Å; T66-E68 PolarHBondContact OG1-OE2 2.97Å; T66-E69 HydrophobicContact CG2-CG 4.48Å; T66-E69 PolarHBondContact N-OE2 3.45Å; T66-E69 PolarHBondContact O-N 3.1Å; T66-E69 PolarHBondContact OG1-N 3.45Å; T66-E69 VanDerWaalsContact OG1-N 3.16Å; T66-T70 WeakPolarHBondContact O-CB 3.24Å; T66-T70 PolarHBondContact O-N 2.99Å; T66-T70 PolarHBondContact O-OG1 3.38Å
67P93.4Very high93.2Very high101 Ų10164.8 Ų64.866%0.65637%0.368SS*.Hα-helixtrans-56.7-39.7171.7-26.536.9000113.3T70 A71P67-T70 WeakPolarHBondContact O-CB 3.24Å; P67-T70 PolarHBondContact O-N 2.9Å; P67-A71 WeakPolarHBondContact O-CB 3.37Å; P67-A71 PolarHBondContact O-N 3.16Å
68E93.9Very high93.2Very high135 Ų13565.1 Ų65.163%0.63137%0.37SS*.Hα-helixtrans-67.6-45.3178.8-58.673.3-157.500111.3T66 T70 A71 R72T66-E68 VanDerWaalsContact C-N 3.28Å; T66-E68 WeakPolarHBondContact CB-OE2 3.46Å; T66-E68 PolarHBondContact O-N 3.47Å; T66-E68 PolarHBondContact OG1-N 3.05Å; T66-E68 PolarHBondContact OG1-OE2 2.97Å; E68-T70 VanDerWaalsContact C-N 3.31Å; E68-T70 PolarHBondContact O-N 2.84Å; E68-A71 PolarHBondContact O-N 3.47Å; E68-R72 WeakPolarHBondContact O-CB 3.35Å; E68-R72 PolarHBondContact O-N 3.34Å
69E93.7Very high93.3Very high66 Ų6667.7 Ų67.731%0.30838%0.382SS..Hα-helixtrans-59.9-44.5173.8-69.6176.7140.200110.7L65 T66 A71 R72 L73L65-E69 VanDerWaalsContact CA-OE2 3.3Å; L65-E69 WeakPolarHBondContact CA-OE2 3.45Å; L65-E69 HydrophobicContact CD2-CB 4.26Å; T66-E69 HydrophobicContact CG2-CG 4.48Å; T66-E69 PolarHBondContact N-OE2 3.45Å; T66-E69 PolarHBondContact O-N 3.1Å; T66-E69 PolarHBondContact OG1-N 3.45Å; T66-E69 VanDerWaalsContact OG1-N 3.16Å; E69-A71 PolarHBondContact O-N 3.12Å; E69-R72 PolarHBondContact O-N 2.83Å; E69-L73 WeakPolarHBondContact O-CB 3.33Å; E69-L73 VanDerWaalsContact O-CG 3.22Å; E69-L73 WeakPolarHBondContact O-CG 3.43Å; E69-L73 PolarHBondContact O-N 2.96Å
70T95.3Very high93.4Very high23 Ų2367.9 Ų67.914%0.14138%0.383CS..Hα-helixtrans-58.8-45.5176.7-64.50000111.8T66 P67 E68 R74 V80T66-T70 WeakPolarHBondContact O-CB 3.24Å; T66-T70 PolarHBondContact O-N 2.99Å; T66-T70 PolarHBondContact O-OG1 3.38Å; P67-T70 WeakPolarHBondContact O-CB 3.24Å; P67-T70 PolarHBondContact O-N 2.9Å; E68-T70 VanDerWaalsContact C-N 3.31Å; E68-T70 PolarHBondContact O-N 2.84Å; T70-R74 WeakPolarHBondContact O-CG 3.27Å; T70-R74 PolarHBondContact O-N 2.89Å; T70-R74 VanDerWaalsContact O-N 3.1Å; T70-V80 HydrophobicContact CG2-CB 4.11Å; T70-V80 HydrophobicContact CG2-CG1 3.86Å; T70-V80 HydrophobicContact CG2-CG2 4.47Å
71A96.5Very high93.6Very high59 Ų5971.1 Ų71.149%0.48839%0.394SS..Hα-helixtrans-63.7-44.3177.800000111.6P67 E68 E69 R74 A75P67-A71 WeakPolarHBondContact O-CB 3.37Å; P67-A71 PolarHBondContact O-N 3.16Å; E68-A71 PolarHBondContact O-N 3.47Å; E69-A71 PolarHBondContact O-N 3.12Å; A71-R74 PolarHBondContact O-N 3.14Å; A71-A75 PolarHBondContact O-N 2.54Å
72R97Very high93.8Very high101 Ų10171 Ų7138%0.38140%0.399SS..Hα-helixtrans-61.1-46177.1-175.4-176.662.677.22112.1E68 E69 R74 A75 L76 H181E68-R72 WeakPolarHBondContact O-CB 3.35Å; E68-R72 PolarHBondContact O-N 3.34Å; E69-R72 PolarHBondContact O-N 2.83Å; R72-R74 VanDerWaalsContact C-N 3.32Å; R72-R74 PolarHBondContact O-N 3.5Å; R72-A75 WeakPolarHBondContact O-CB 3.39Å; R72-A75 PolarHBondContact O-N 2.95Å; R72-L76 PolarHBondContact O-N 3Å; R72-L76 VanDerWaalsContact O-N 3.13Å; R72-H181 PolarHBondContact NH1-ND1 3.05Å; R72-H181 PolarHBondContact NH2-O 3.43Å
73L97.4Very high94.1Very high0 Ų062.2 Ų62.20%037%0.367CS..Hα-helixtrans-63.7-38.3179.4-68.7175.3000111.9Y57 L65 E69 L76 A78 V80 H181 I182Y57-L73 HydrophobicContact CD1-CD1 4.02Å; Y57-L73 HydrophobicContact CD2-CB 4.12Å; Y57-L73 HydrophobicContact CD2-CD1 3.84Å; Y57-L73 HydrophobicContact CD2-CD2 4.08Å; Y57-L73 HydrophobicContact CD2-CG 4.22Å; Y57-L73 HydrophobicContact CE1-CD1 4.3Å; Y57-L73 HydrophobicContact CE1-CD2 4.17Å; Y57-L73 HydrophobicContact CE2-CB 4.25Å; Y57-L73 HydrophobicContact CE2-CD1 4.15Å; Y57-L73 HydrophobicContact CE2-CD2 3.54Å; Y57-L73 HydrophobicContact CE2-CG 4.17Å; Y57-L73 HydrophobicContact CG-CD1 3.74Å; L65-L73 HydrophobicContact CD1-CD1 4.14Å; L65-L73 HydrophobicContact CD2-CD1 3.74Å; E69-L73 WeakPolarHBondContact O-CB 3.33Å; E69-L73 VanDerWaalsContact O-CG 3.22Å; E69-L73 WeakPolarHBondContact O-CG 3.43Å; E69-L73 PolarHBondContact O-N 2.96Å; L73-L76 HydrophobicContact CD2-CD1 4.4Å; L73-L76 WeakPolarHBondContact O-CB 3.34Å; L73-L76 PolarHBondContact O-N 2.87Å; L73-A78 WeakPolarHBondContact O-CB 3.39Å; L73-A78 PolarHBondContact O-N 3.38Å; L73-V80 HydrophobicContact CB-CG2 3.76Å; L73-V80 HydrophobicContact CD1-CG2 4.47Å; L73-H181 HydrophobicContact CD2-CB 3.7Å; L73-I182 HydrophobicContact CD1-CG2 4.04Å
74R97.5Very high94.3Very high142 Ų14261.6 Ų61.654%0.53636%0.361SS..Hα-helixtrans-65.2-38.4172.8-72.9179.8179.8142.13.9112.5T70 A71 R72 L76 G77 A78 V80T70-R74 WeakPolarHBondContact O-CG 3.27Å; T70-R74 PolarHBondContact O-N 2.89Å; T70-R74 VanDerWaalsContact O-N 3.1Å; A71-R74 PolarHBondContact O-N 3.14Å; R72-R74 VanDerWaalsContact C-N 3.32Å; R72-R74 PolarHBondContact O-N 3.5Å; R74-L76 PolarHBondContact O-N 2.93Å; R74-G77 PolarHBondContact O-N 2.91Å; R74-A78 WeakPolarHBondContact CA-O 3.18Å; R74-V80 HydrophobicContact CG-CB 4.31Å; R74-V80 HydrophobicContact CG-CG2 3.81Å; R74-V80 PolarHBondContact NH2-O 3.25Å; R74-V80 VanDerWaalsContact NH2-O 3.11Å
75A97.6Very high95Very high90 Ų9060.4 Ų60.474%0.74434%0.343SS*.Hα-helixtrans-64.5-26.1175.400000112.9A71 R72 G77A71-A75 PolarHBondContact O-N 2.54Å; R72-A75 WeakPolarHBondContact O-CB 3.39Å; R72-A75 PolarHBondContact O-N 2.95Å; A75-G77 PolarHBondContact O-N 3Å
76L97Very high95Very high77 Ų7760 Ų6040%0.40335%0.346SS..THydrogen-bonded Turntrans-76.60.2171.1-66.3172.5000113.6R72 L73 R74 W178R72-L76 PolarHBondContact O-N 3Å; R72-L76 VanDerWaalsContact O-N 3.13Å; L73-L76 HydrophobicContact CD2-CD1 4.4Å; L73-L76 WeakPolarHBondContact O-CB 3.34Å; L73-L76 PolarHBondContact O-N 2.87Å; R74-L76 PolarHBondContact O-N 2.93Å; L76-W178 HydrophobicContact CB-CH2 4.44Å; L76-W178 HydrophobicContact CB-CZ3 4.21Å
77G97.1Very high94.9Very high58 Ų5858.1 Ų58.160%0.59834%0.34SS*.THydrogen-bonded Turntrans86.310.1-178.600000114.5R74 A75R74-G77 PolarHBondContact O-N 2.91Å; A75-G77 PolarHBondContact O-N 3Å
78A97.9Very high94.8Very high6 Ų655.6 Ų55.65%0.0532%0.32CS..  trans-87.3142.817600000112.6P55 Y57 L73 R74 W178P55-A78 HydrophobicContact CB-CB 4.06Å; P55-A78 HydrophobicContact CG-CB 4.31Å; P55-A78 WeakPolarHBondContact O-CA 3.3Å; Y57-A78 HydrophobicContact CD2-CB 3.59Å; Y57-A78 HydrophobicContact CE2-CB 3.57Å; L73-A78 WeakPolarHBondContact O-CB 3.39Å; L73-A78 PolarHBondContact O-N 3.38Å; R74-A78 WeakPolarHBondContact CA-O 3.18Å; A78-W178 HydrophobicContact CB-CZ3 3.9Å
79E97.8Very high94.7Very high54 Ų5449.2 Ų49.225%0.25229%0.291SS..EExtended strand (participates in β ladder)trans-71.1141.7165-163.9-160.29600109.5P55 V56 Y57 R81P55-E79 PolarHBondContact O-N 3.14Å; V56-E79 CarbonylContact C-O 3.33Å; V56-E79 WeakPolarHBondContact CA-O 3.04Å; V56-E79 HydrophobicContact CB-CB 4.3Å; V56-E79 HydrophobicContact CG1-CB 4.14Å; V56-E79 WeakPolarHBondContact CG1-OE1 3.49Å; V56-E79 HydrophobicContact CG2-CB 3.88Å; Y57-E79 PolarHBondContact N-O 3.5Å; E79-R81 VanDerWaalsContact CD-NH2 3.28Å; E79-R81 HydrophobicContact CG-CG 4.43Å; E79-R81 WeakPolarHBondContact OE1-CD 3.42Å; E79-R81 VanDerWaalsContact OE1-CG 3.29Å; E79-R81 WeakPolarHBondContact OE1-CG 3.35Å; E79-R81 IonicContact OE1-CZ 2.85Å; E79-R81 IonicContact OE1-NE 3.14Å; E79-R81 PolarHBondContact OE1-NE 3.18Å; E79-R81 VanDerWaalsContact OE1-NE 3.14Å; E79-R81 IonicContact OE1-NH1 2.6Å; E79-R81 PolarHBondContact OE1-NH1 3.38Å; E79-R81 IonicContact OE1-NH2 3.49Å; E79-R81 PolarHBondContact OE1-NH2 2.9Å; E79-R81 IonicContact OE2-CZ 3.04Å; E79-R81 IonicContact OE2-NE 3.97Å; E79-R81 IonicContact OE2-NH1 2.86Å; E79-R81 PolarHBondContact OE2-NH1 3.3Å; E79-R81 IonicContact OE2-NH2 2.86Å; E79-R81 PolarHBondContact OE2-NH2 2.86Å
80V97.1Very high94.8Very high13 Ų1346.3 Ų46.38%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-129.7121.6174.6-173.70000109.8Y57 L65 T70 L73 R74Y57-V80 WeakPolarHBondContact O-CA 3.26Å; L65-V80 HydrophobicContact CD1-CG1 3.7Å; T70-V80 HydrophobicContact CG2-CB 4.11Å; T70-V80 HydrophobicContact CG2-CG1 3.86Å; T70-V80 HydrophobicContact CG2-CG2 4.47Å; L73-V80 HydrophobicContact CB-CG2 3.76Å; L73-V80 HydrophobicContact CD1-CG2 4.47Å; R74-V80 HydrophobicContact CG-CB 4.31Å; R74-V80 HydrophobicContact CG-CG2 3.81Å; R74-V80 PolarHBondContact NH2-O 3.25Å; R74-V80 VanDerWaalsContact NH2-O 3.11Å
81R95.4Very high94.9Very high71 Ų7145.3 Ų45.327%0.26827%0.271SS..EExtended strand (participates in β ladder)trans-128.4141.6-179.2-72.6-166.4173.9120.39.9113Y57 T58 A59 E79 T83Y57-R81 PolarHBondContact O-N 3.09Å; T58-R81 CarbonylContact C-O 3.54Å; T58-R81 VanDerWaalsContact CA-O 3.26Å; T58-R81 WeakPolarHBondContact CA-O 3.41Å; A59-R81 PolarHBondContact N-O 3.24Å; E79-R81 VanDerWaalsContact CD-NH2 3.28Å; E79-R81 HydrophobicContact CG-CG 4.43Å; E79-R81 WeakPolarHBondContact OE1-CD 3.42Å; E79-R81 VanDerWaalsContact OE1-CG 3.29Å; E79-R81 WeakPolarHBondContact OE1-CG 3.35Å; E79-R81 IonicContact OE1-CZ 2.85Å; E79-R81 IonicContact OE1-NE 3.14Å; E79-R81 PolarHBondContact OE1-NE 3.18Å; E79-R81 VanDerWaalsContact OE1-NE 3.14Å; E79-R81 IonicContact OE1-NH1 2.6Å; E79-R81 PolarHBondContact OE1-NH1 3.38Å; E79-R81 IonicContact OE1-NH2 3.49Å; E79-R81 PolarHBondContact OE1-NH2 2.9Å; E79-R81 IonicContact OE2-CZ 3.04Å; E79-R81 IonicContact OE2-NE 3.97Å; E79-R81 IonicContact OE2-NH1 2.86Å; E79-R81 PolarHBondContact OE2-NH1 3.3Å; E79-R81 IonicContact OE2-NH2 2.86Å; E79-R81 PolarHBondContact OE2-NH2 2.86Å; R81-T83 HydrophobicContact CB-CG2 4.35Å
82V94.4Very high95Very high130 Ų13042.9 Ų42.979%0.78825%0.25SC*.EExtended strand (participates in β ladder)trans-84.9134.4162.4-1780000108.1
83T92.7Very high95Very high13 Ų1338 Ų388%0.0823%0.232CC..  trans-131.6158.8-175.563.60000110.6Y16 T58 A59 R81 R85Y16-T83 HydrophobicContact CE1-CG2 4.31Å; T58-T83 HydrophobicContact CG2-CG2 3.85Å; A59-T83 PolarHBondContact O-N 3.14Å; A59-T83 PolarHBondContact O-OG1 3.34Å; R81-T83 HydrophobicContact CB-CG2 4.35Å; T83-R85 VanDerWaalsContact C-N 3.29Å; T83-R85 PolarHBondContact O-N 3.36Å; T83-R85 WeakPolarHBondContact OG1-CG 3.49Å
84G89.2Confident95.1Very high17 Ų1740.3 Ų40.318%0.17525%0.246CC..SBendtrans-83.97.1-179.800000115.1L61 R158L61-G84 WeakPolarHBondContact CD1-O 3.32Å; L61-G84 WeakPolarHBondContact CG-O 3.33Å; G84-R158 WeakPolarHBondContact O-CB 3.48Å; G84-R158 WeakPolarHBondContact O-CD 3.41Å; G84-R158 WeakPolarHBondContact O-CG 3.48Å
85R93.5Very high95.2Very high17 Ų1733.7 Ų33.76%0.06422%0.222CC..SBendtrans-72.8155-178.670.8173.3175.9664.4112.1T58 G60 L61 T83 L88 H166T58-R85 PolarHBondContact O-NH2 3.43Å; T58-R85 PolarHBondContact OG1-NE 2.94Å; T58-R85 VanDerWaalsContact OG1-NE 3.15Å; T58-R85 PolarHBondContact OG1-NH2 2.86Å; G60-R85 CarbonylContact C-O 3.23Å; G60-R85 WeakPolarHBondContact CA-O 3.44Å; L61-R85 WeakPolarHBondContact CG-O 3.36Å; L61-R85 PolarHBondContact N-O 3.22Å; T83-R85 VanDerWaalsContact C-N 3.29Å; T83-R85 PolarHBondContact O-N 3.36Å; T83-R85 WeakPolarHBondContact OG1-CG 3.49Å; R85-L88 VanDerWaalsContact CZ-O 3.28Å; R85-L88 PolarHBondContact NH1-O 3.4Å; R85-L88 PolarHBondContact NH2-O 3.13Å; R85-H166 HydrophobicContact CB-CB 3.95Å
86G89.7Confident95.2Very high24 Ų2429.5 Ų29.525%0.24719%0.187CC..SBendtrans-61160.616600000113V157G86-V157 PolarHBondContact N-O 3.29Å
87G88.6Confident95.3Very high24 Ų2425.8 Ų25.825%0.24717%0.168CC..SBendtrans91.1-176.6178.300000114.3G60 R62G60-G87 CarbonylContact C-O 3.53Å; G60-G87 WeakPolarHBondContact CA-O 3.26Å; R62-G87 WeakPolarHBondContact CB-O 3.28Å; R62-G87 PolarHBondContact N-O 2.97Å
88L90.6Very high95.4Very high47 Ų4723.1 Ų23.125%0.24614%0.139CC..SBendtrans-96.7-163.9177.5-72.2163000110.3R62 G63 R85 C185R62-L88 HydrophobicContact CB-CD2 3.62Å; R62-L88 HydrophobicContact CB-CG 3.95Å; R62-L88 WeakPolarHBondContact O-CD2 3.32Å; G63-L88 CarbonylContact O-C 3.48Å; G63-L88 VanDerWaalsContact O-CA 3.24Å; G63-L88 WeakPolarHBondContact O-CA 3.41Å; R85-L88 VanDerWaalsContact CZ-O 3.28Å; R85-L88 PolarHBondContact NH1-O 3.4Å; R85-L88 PolarHBondContact NH2-O 3.13Å; L88-C185 WeakPolarHBondContact CD1-O 3.46Å
89A92.8Very high95.4Very high1 Ų122.8 Ų22.81%0.00814%0.137CC..  trans-57.6145176.200000113.7T58 G63 G64 L65 C185T58-A89 CarbonylContact O-C 3.54Å; T58-A89 VanDerWaalsContact O-CA 3.25Å; T58-A89 WeakPolarHBondContact O-CA 3.37Å; G63-A89 PolarHBondContact O-N 3Å; G63-A89 VanDerWaalsContact O-N 3.1Å; G64-A89 VanDerWaalsContact O-CB 3.28Å; G64-A89 WeakPolarHBondContact O-CB 3.27Å; L65-A89 HydrophobicContact CD1-CB 4.45Å; L65-A89 HydrophobicContact CD2-CB 4.11Å; L65-A89 HydrophobicContact CG-CB 3.85Å; A89-C185 PolarHBondContact O-N 3.4Å; A89-C185 VanDerWaalsContact O-N 3.14Å
90T95.4Very high95.5Very high5 Ų520.5 Ų20.53%0.03113%0.126CC..EExtended strand (participates in β ladder)trans-148.5165.5170.7-158.50000110.5Y57 T58 H92Y57-T90 WeakPolarHBondContact CA-O 3.37Å; T58-T90 PolarHBondContact N-O 3.36Å; T58-T90 PolarHBondContact O-N 3.1Å; T90-H92 WeakPolarHBondContact CG2-NE2 3.21Å
91F97.7Very high95.5Very high2 Ų219.9 Ų19.91%0.00912%0.123CC..EExtended strand (participates in β ladder)trans-106.6147.5174170.5-103.6000112.1P55 V56 Y57 Q96 T174 W178 F179 I182P55-F91 HydrophobicContact CB-CE2 3.7Å; P55-F91 HydrophobicContact CB-CZ 4.26Å; V56-F91 CarbonylContact O-C 3.56Å; Y57-F91 HydrophobicContact CD1-CB 4.03Å; Y57-F91 HydrophobicContact CD1-CD2 4.29Å; Y57-F91 HydrophobicContact CD2-CD2 4.44Å; Y57-F91 HydrophobicContact CE1-CB 3.81Å; Y57-F91 AromaticContact CE1-CD2 3.93Å; Y57-F91 HydrophobicContact CE1-CD2 3.93Å; Y57-F91 HydrophobicContact CE1-CG 4.28Å; Y57-F91 HydrophobicContact CE2-CD2 4.07Å; Y57-F91 AromaticContact CZ-CD2 3.84Å; F91-Q96 PolarHBondContact O-NE2 3.18Å; F91-T174 HydrophobicContact CD1-CG2 4.42Å; F91-T174 HydrophobicContact CE1-CG2 3.86Å; F91-W178 HydrophobicContact CD1-CB 3.67Å; F91-W178 HydrophobicContact CD1-CG 4.48Å; F91-W178 HydrophobicContact CD2-CB 3.62Å; F91-W178 HydrophobicContact CD2-CD2 4.5Å; F91-W178 HydrophobicContact CD2-CG 4.12Å; F91-W178 HydrophobicContact CE1-CB 3.48Å; F91-W178 VanDerWaalsContact CE1-CB 3.48Å; F91-W178 AromaticContact CE1-CG 3.85Å; F91-W178 HydrophobicContact CE1-CG 3.85Å; F91-W178 HydrophobicContact CE2-CB 3.41Å; F91-W178 VanDerWaalsContact CE2-CB 3.41Å; F91-W178 AromaticContact CE2-CD2 3.7Å; F91-W178 HydrophobicContact CE2-CD2 3.7Å; F91-W178 HydrophobicContact CE2-CE3 4Å; F91-W178 AromaticContact CE2-CG 3.41Å; F91-W178 HydrophobicContact CE2-CG 3.41Å; F91-W178 VanDerWaalsContact CE2-CG 3.41Å; F91-W178 HydrophobicContact CG-CB 3.73Å; F91-W178 HydrophobicContact CZ-CB 3.33Å; F91-W178 AromaticContact CZ-CD1 3.51Å; F91-W178 AromaticContact CZ-CD2 3.92Å; F91-W178 HydrophobicContact CZ-CD2 3.92Å; F91-W178 AromaticContact CZ-CG 3.25Å; F91-W178 HydrophobicContact CZ-CG 3.25Å; F91-F179 HydrophobicContact CB-CD1 4.07Å; F91-F179 HydrophobicContact CB-CE1 3.88Å; F91-F179 HydrophobicContact CB-CE2 4.48Å; F91-F179 HydrophobicContact CB-CG 4.46Å; F91-F179 HydrophobicContact CB-CZ 4.11Å; F91-F179 HydrophobicContact CD1-CD2 4.05Å; F91-F179 AromaticContact CD1-CE2 3.69Å; F91-F179 HydrophobicContact CD1-CE2 3.69Å; F91-F179 AromaticContact CD1-CZ 3.96Å; F91-F179 HydrophobicContact CD1-CZ 3.96Å; F91-I182 HydrophobicContact CB-CD1 4.41Å
92H98.3Very high95.6Very high8 Ų816.5 Ų16.54%0.03711%0.11CC..EExtended strand (participates in β ladder)trans-134141.3168.6-52.4-63.3000109.9Y16 P52 V56 T58 T90 Q96Y16-H92 AromaticContact CE2-CD2 3.93Å; P52-H92 HydrophobicContact CG-CB 3.85Å; V56-H92 HydrophobicContact CB-CB 4.48Å; V56-H92 PolarHBondContact N-O 2.83Å; V56-H92 PolarHBondContact O-N 3.27Å; T58-H92 PolarHBondContact OG1-NE2 2.82Å; T90-H92 WeakPolarHBondContact CG2-NE2 3.21Å; H92-Q96 PolarHBondContact ND1-OE1 3.3Å
93G98.3Very high95.8Very high0 Ų010.3 Ų10.30%07%0.072CC..  trans-164.6178.817800000112.7P52 Q96P52-G93 WeakPolarHBondContact CD-O 3.35Å; G93-Q96 WeakPolarHBondContact O-CB 3.42Å; G93-Q96 PolarHBondContact O-N 2.86Å
94P98.6Very high95.9Very high48 Ų489.9 Ų9.931%0.3127%0.07SC..THydrogen-bonded Turntrans-50.5144.8173.5-26.735.2000112E51 Q96E51-P94 WeakPolarHBondContact OE1-CA 3.37Å; P94-Q96 VanDerWaalsContact C-N 3.29Å
95G98.6Very high96.3Very high2 Ų29.2 Ų9.22%0.0216%0.062CC..THydrogen-bonded Turntrans78.74.1-174.100000115.2E51 C172 S173 T174E51-G95 VanDerWaalsContact CD-N 3.29Å; E51-G95 PolarHBondContact OE1-N 3.38Å; G95-C172 CarbonylContact O-C 3.58Å; G95-C172 WeakPolarHBondContact O-CA 3.41Å; G95-C172 WeakPolarHBondContact O-CB 3.4Å; G95-C172 PolarHBondContact O-N 2.99Å; G95-S173 WeakPolarHBondContact CA-OG 3.35Å; G95-S173 PolarHBondContact O-N 2.91Å; G95-T174 PolarHBondContact O-N 3.31Å; G95-T174 PolarHBondContact O-OG1 3.06Å; G95-T174 VanDerWaalsContact O-OG1 3.13Å
96Q98.8Very high96.3Very high2 Ų215.5 Ų15.51%0.0099%0.086CC..EExtended strand (participates in β ladder)trans-106.9124.7176.1-162.4-176.871.600111.3P52 F91 H92 G93 P94 L98 A169 L170 N171 T174P52-Q96 VanDerWaalsContact CD-O 3.3Å; P52-Q96 WeakPolarHBondContact CD-O 3.33Å; F91-Q96 PolarHBondContact O-NE2 3.18Å; H92-Q96 PolarHBondContact ND1-OE1 3.3Å; G93-Q96 WeakPolarHBondContact O-CB 3.42Å; G93-Q96 PolarHBondContact O-N 2.86Å; P94-Q96 VanDerWaalsContact C-N 3.29Å; Q96-L98 HydrophobicContact CG-CD2 4.45Å; Q96-L98 PolarHBondContact O-N 2.93Å; Q96-A169 HydrophobicContact CG-CB 4.33Å; Q96-L170 WeakPolarHBondContact CA-O 3.46Å; Q96-L170 VanDerWaalsContact CG-O 3.31Å; Q96-L170 WeakPolarHBondContact CG-O 3.4Å; Q96-N171 PolarHBondContact NE2-OD1 3.25Å; Q96-T174 WeakPolarHBondContact CA-OG1 3.25Å; Q96-T174 HydrophobicContact CB-CG2 4.2Å; Q96-T174 WeakPolarHBondContact CB-OG1 3.41Å
97L98.8Very high96.4Very high0 Ų019 Ų190%09%0.091CC..EExtended strand (participates in β ladder)trans-76.6116.3172.1170.364.6000108.8A169 L170 V205 V208 M209 F212L97-A169 CarbonylContact O-C 3.56Å; L97-A169 WeakPolarHBondContact O-CA 3.44Å; L97-L170 HydrophobicContact CB-CB 4.33Å; L97-L170 HydrophobicContact CD2-CD2 4.38Å; L97-L170 PolarHBondContact N-O 2.85Å; L97-L170 PolarHBondContact O-N 3.18Å; L97-V205 HydrophobicContact CB-CG1 4.1Å; L97-V205 HydrophobicContact CB-CG2 4.31Å; L97-V205 HydrophobicContact CD1-CG1 3.87Å; L97-V208 HydrophobicContact CD2-CG2 4.17Å; L97-M209 HydrophobicContact CD1-CE 4.03Å; L97-M209 HydrophobicContact CD1-SD 3.96Å; L97-F212 HydrophobicContact CD2-CB 4.32Å; L97-F212 HydrophobicContact CD2-CD1 4.27Å; L97-F212 HydrophobicContact CD2-CD2 4.2Å; L97-F212 HydrophobicContact CD2-CG 3.98Å
98L98.8Very high96.6Very high1 Ų119.1 Ų19.11%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-95.4126.5166.1-60.8-168.9000109.9Y16 L19 L49 C50 P52 Q96 A169Y16-L98 HydrophobicContact CD2-CD1 4.1Å; Y16-L98 HydrophobicContact CE2-CD1 4Å; L19-L98 HydrophobicContact CD2-CB 4.42Å; L19-L98 HydrophobicContact CD2-CD1 3.61Å; L49-L98 WeakPolarHBondContact CA-O 3.4Å; C50-L98 PolarHBondContact N-O 3.1Å; C50-L98 VanDerWaalsContact N-O 3.07Å; C50-L98 PolarHBondContact O-N 3Å; P52-L98 HydrophobicContact CG-CD1 3.75Å; P52-L98 HydrophobicContact CG-CG 3.99Å; Q96-L98 HydrophobicContact CG-CD2 4.45Å; Q96-L98 PolarHBondContact O-N 2.93Å; L98-A169 HydrophobicContact CD2-CB 3.51Å
99C98.6Very high96.7Very high0 Ų019.8 Ų19.80%010%0.104CC..EExtended strand (participates in β ladder)trans-122.3108.2173.81560000109.4L47 L49 P101 G167 L168 F212L47-C99 WeakPolarHBondContact CD1-SG 3.42Å; L49-C99 HydrophobicContact CD2-CB 3.49Å; L49-C99 VanDerWaalsContact CD2-CB 3.49Å; C99-P101 WeakPolarHBondContact O-CD 3.5Å; C99-G167 WeakPolarHBondContact O-CA 3.3Å; C99-L168 HydrophobicContact CB-CD1 3.7Å; C99-L168 HydrophobicContact CB-CD2 4.46Å; C99-L168 HydrophobicContact CB-CG 3.75Å; C99-L168 PolarHBondContact N-O 3.02Å; C99-L168 PolarHBondContact O-N 2.9Å; C99-F212 HydrophobicContact CB-CE1 3.76Å; C99-F212 HydrophobicContact CB-CZ 3.7Å; C99-F212 VanDerWaalsContact SG-CE1 3.56Å; C99-F212 WeakPolarHBondContact SG-CZ 3.22Å
100H98.6Very high96.9Very high6 Ų621.7 Ų21.73%0.02811%0.114CC..EExtended strand (participates in β ladder)trans-114.686.6-175.9-73.8-157000110.6L19 Q23 L48 V102 H166L19-H100 HydrophobicContact CD1-CB 4.32Å; L19-H100 WeakPolarHBondContact CD2-CE1 3.49Å; Q23-H100 HydrophobicContact CG-CB 4.44Å; Q23-H100 PolarHBondContact NE2-ND1 3.09Å; Q23-H100 PolarHBondContact OE1-ND1 3.11Å; L48-H100 HydrophobicContact CB-CB 4.25Å; L48-H100 WeakPolarHBondContact CB-O 3.31Å; L48-H100 WeakPolarHBondContact CG-O 3.2Å; L48-H100 PolarHBondContact N-O 2.99Å; L48-H100 VanDerWaalsContact N-O 3.1Å; L48-H100 PolarHBondContact O-N 2.85Å; H100-V102 PolarHBondContact O-N 2.66Å; H100-H166 VanDerWaalsContact CA-O 3.26Å; H100-H166 WeakPolarHBondContact CA-O 3.42Å
101P98.2Very high97Very high0 Ų030.8 Ų30.80%015%0.148CC..EExtended strand (participates in β ladder)trans-72.8109.9173.929.8-35.7000111.3A46 L47 C99 L103 L119 T164 H166 F216A46-P101 CarbonylContact O-C 3.57Å; A46-P101 WeakPolarHBondContact O-CA 3.23Å; L47-P101 HydrophobicContact CD1-CB 4.21Å; C99-P101 WeakPolarHBondContact O-CD 3.5Å; P101-L103 HydrophobicContact CB-CD1 3.59Å; P101-L103 HydrophobicContact CB-CG 3.82Å; P101-L119 HydrophobicContact CG-CD1 4.38Å; P101-L119 HydrophobicContact CG-CD2 3.87Å; P101-T164 PolarHBondContact O-OG1 3.31Å; P101-H166 WeakPolarHBondContact CD-O 3.33Å; P101-F216 HydrophobicContact CB-CE2 4.46Å
102V98.2Very high96.9Very high0 Ų034.2 Ų34.20%017%0.166CC..EExtended strand (participates in β ladder)trans-96.490.8171.6-174.10000108.3Q23 W26 L27 L30 G45 A46 L48 H100 I163 T164Q23-V102 HydrophobicContact CB-CG2 4.18Å; Q23-V102 HydrophobicContact CG-CG2 3.81Å; W26-V102 HydrophobicContact CB-CB 3.98Å; W26-V102 HydrophobicContact CB-CG1 3.57Å; W26-V102 HydrophobicContact CB-CG2 4.39Å; L27-V102 HydrophobicContact CD2-CG1 4.15Å; L27-V102 HydrophobicContact CG-CG1 4.08Å; L30-V102 HydrophobicContact CD1-CG1 4.14Å; L30-V102 WeakPolarHBondContact CD1-O 3.11Å; G45-V102 WeakPolarHBondContact CA-O 3.46Å; A46-V102 PolarHBondContact N-O 2.89Å; A46-V102 PolarHBondContact O-N 3.3Å; L48-V102 HydrophobicContact CD1-CG2 3.99Å; L48-V102 HydrophobicContact CG-CG2 4.45Å; H100-V102 PolarHBondContact O-N 2.66Å; V102-I163 HydrophobicContact CG1-CG2 4.38Å; V102-T164 WeakPolarHBondContact CA-O 3.43Å; V102-T164 WeakPolarHBondContact CG1-O 3.45Å
103L97.4Very high96.8Very high0 Ų044.7 Ų44.70%021%0.205CC..EExtended strand (participates in β ladder)trans-127.6140.7-165.8-57.9174.5000111.9V6 A44 P101 L105 L108 I163 T164 F216 Y220V6-L103 HydrophobicContact CG1-CD2 3.81Å; V6-L103 HydrophobicContact CG2-CD2 3.91Å; A44-L103 CarbonylContact O-C 3.52Å; A44-L103 VanDerWaalsContact O-CA 3.32Å; A44-L103 WeakPolarHBondContact O-CA 3.32Å; P101-L103 HydrophobicContact CB-CD1 3.59Å; P101-L103 HydrophobicContact CB-CG 3.82Å; L103-L105 HydrophobicContact CB-CD2 4.43Å; L103-L105 PolarHBondContact O-N 2.87Å; L103-L108 HydrophobicContact CB-CD1 3.94Å; L103-L108 HydrophobicContact CD1-CD1 3.73Å; L103-L108 HydrophobicContact CD2-CD1 4.4Å; L103-L108 HydrophobicContact CG-CD1 4.24Å; L103-I163 CarbonylContact O-C 3.53Å; L103-I163 VanDerWaalsContact O-CA 3.24Å; L103-I163 WeakPolarHBondContact O-CA 3.48Å; L103-T164 PolarHBondContact N-OG1 2.77Å; L103-T164 PolarHBondContact O-N 2.97Å; L103-T164 PolarHBondContact O-OG1 3.36Å; L103-F216 HydrophobicContact CD1-CZ 4.37Å; L103-Y220 HydrophobicContact CD1-CD1 4.17Å; L103-Y220 HydrophobicContact CD1-CE1 3.75Å
104D96.2Very high96.8Very high4 Ų448.8 Ų48.82%0.02123%0.226CC..BIsolated β-bridgetrans-79.7103161.4-177.3-10.7000109A44 R106 R107 I163A44-D104 PolarHBondContact O-N 2.74Å; D104-R106 PolarHBondContact O-N 2.73Å; D104-R106 VanDerWaalsContact O-N 3.15Å; D104-R106 WeakPolarHBondContact OD1-CB 3.39Å; D104-R106 IonicContact OD1-CZ 3.62Å; D104-R106 PolarHBondContact OD1-N 3.36Å; D104-R106 VanDerWaalsContact OD1-N 3.08Å; D104-R106 IonicContact OD1-NE 3.19Å; D104-R106 PolarHBondContact OD1-NE 2.87Å; D104-R106 IonicContact OD1-NH2 3.04Å; D104-R106 IonicContact OD2-CZ 3.75Å; D104-R106 IonicContact OD2-NE 3.7Å; D104-R106 IonicContact OD2-NH2 3.57Å; D104-R106 PolarHBondContact OD2-NH2 2.77Å; D104-R107 HydrophobicContact CB-CG 4.12Å; D104-R107 WeakPolarHBondContact O-CB 3.47Å; D104-R107 PolarHBondContact O-N 2.88Å; D104-R107 VanDerWaalsContact O-N 3.13Å; D104-R107 IonicContact OD2-NE 3.53Å; D104-I163 HydrophobicContact CB-CG1 4.26Å
105L95.9Very high96.8Very high3 Ų346.5 Ų46.52%0.01621%0.211CC..G310 helixtrans-62.1-25.1-174.5-62.2-176000113.2L103 R107 L108 G109 L110 H115 H162 T164L103-L105 HydrophobicContact CB-CD2 4.43Å; L103-L105 PolarHBondContact O-N 2.87Å; L105-R107 VanDerWaalsContact C-N 3.29Å; L105-R107 PolarHBondContact O-N 3.1Å; L105-L108 CarbonylContact O-C 3.58Å; L105-L108 PolarHBondContact O-N 2.97Å; L105-L108 VanDerWaalsContact O-N 3.15Å; L105-G109 PolarHBondContact O-N 2.84Å; L105-G109 VanDerWaalsContact O-N 3.09Å; L105-L110 HydrophobicContact CB-CB 4.16Å; L105-L110 WeakPolarHBondContact CB-O 3.35Å; L105-L110 HydrophobicContact CD2-CB 4.13Å; L105-L110 HydrophobicContact CD2-CD1 4.46Å; L105-L110 PolarHBondContact O-N 3.18Å; L105-H115 HydrophobicContact CD1-CB 4.07Å; L105-H115 HydrophobicContact CD2-CB 3.88Å; L105-H162 PolarHBondContact N-O 3.44Å; L105-T164 HydrophobicContact CD1-CG2 3.7Å; L105-T164 HydrophobicContact CD2-CG2 3.75Å; L105-T164 HydrophobicContact CG-CG2 3.73Å
106R93.6Very high96.8Very high148 Ų14847.7 Ų47.756%0.55822%0.217SC*.G310 helixtrans-64.5-37.5178.6-61.6170.5-64.1171.76.2111.2D104 L108 G109 H162D104-R106 PolarHBondContact O-N 2.73Å; D104-R106 VanDerWaalsContact O-N 3.15Å; D104-R106 WeakPolarHBondContact OD1-CB 3.39Å; D104-R106 IonicContact OD1-CZ 3.62Å; D104-R106 PolarHBondContact OD1-N 3.36Å; D104-R106 VanDerWaalsContact OD1-N 3.08Å; D104-R106 IonicContact OD1-NE 3.19Å; D104-R106 PolarHBondContact OD1-NE 2.87Å; D104-R106 IonicContact OD1-NH2 3.04Å; D104-R106 IonicContact OD2-CZ 3.75Å; D104-R106 IonicContact OD2-NE 3.7Å; D104-R106 IonicContact OD2-NH2 3.57Å; D104-R106 PolarHBondContact OD2-NH2 2.77Å; R106-L108 PolarHBondContact O-N 2.79Å; R106-G109 PolarHBondContact O-N 2.73Å; R106-G109 VanDerWaalsContact O-N 3.11Å; R106-H162 HydrophobicContact CG-CB 3.79Å
107R92.4Very high96.8Very high97 Ų9750 Ų5037%0.36624%0.237SC..G310 helixtrans-68.5-20.1178.7-61.7-178.3176.2-113.5-2.4112.6G41 E43 A44 D104 L105G41-R107 PolarHBondContact O-NH1 3.01Å; E43-R107 WeakPolarHBondContact O-CD 3.39Å; E43-R107 PolarHBondContact O-NH1 3.46Å; E43-R107 VanDerWaalsContact O-NH1 3.1Å; A44-R107 HydrophobicContact CB-CB 3.99Å; D104-R107 HydrophobicContact CB-CG 4.12Å; D104-R107 WeakPolarHBondContact O-CB 3.47Å; D104-R107 PolarHBondContact O-N 2.88Å; D104-R107 VanDerWaalsContact O-N 3.13Å; D104-R107 IonicContact OD2-NE 3.53Å; L105-R107 VanDerWaalsContact C-N 3.29Å; L105-R107 PolarHBondContact O-N 3.1Å
108L92.8Very high96.7Very high27 Ų2750.6 Ų50.614%0.14124%0.241CC..G310 helixtrans-100.4-1.8175.9-69154.3000112.6P4 A44 L103 L105 R106 L110 Y220 C222P4-L108 HydrophobicContact CB-CD2 4.01Å; P4-L108 HydrophobicContact CG-CD2 3.5Å; P4-L108 VanDerWaalsContact CG-CD2 3.5Å; P4-L108 HydrophobicContact CG-CG 4.46Å; A44-L108 HydrophobicContact CB-CD1 4.04Å; A44-L108 HydrophobicContact CB-CD2 4.24Å; A44-L108 HydrophobicContact CB-CG 3.87Å; L103-L108 HydrophobicContact CB-CD1 3.94Å; L103-L108 HydrophobicContact CD1-CD1 3.73Å; L103-L108 HydrophobicContact CD2-CD1 4.4Å; L103-L108 HydrophobicContact CG-CD1 4.24Å; L105-L108 CarbonylContact O-C 3.58Å; L105-L108 PolarHBondContact O-N 2.97Å; L105-L108 VanDerWaalsContact O-N 3.15Å; R106-L108 PolarHBondContact O-N 2.79Å; L108-L110 HydrophobicContact CB-CB 4.37Å; L108-L110 HydrophobicContact CB-CD1 3.9Å; L108-L110 HydrophobicContact CB-CG 3.86Å; L108-L110 HydrophobicContact CD1-CD1 4.44Å; L108-L110 PolarHBondContact O-N 2.98Å; L108-Y220 HydrophobicContact CD1-CD1 4.37Å; L108-Y220 HydrophobicContact CD2-CD1 4.49Å; L108-C222 HydrophobicContact CD2-CB 4.44Å
109G93.7Very high96.7Very high61 Ų6150.5 Ų50.563%0.62924%0.241SC*.THydrogen-bonded Turntrans64.322.9-172.800000113.6L105 R106L105-G109 PolarHBondContact O-N 2.84Å; L105-G109 VanDerWaalsContact O-N 3.09Å; R106-G109 PolarHBondContact O-N 2.73Å; R106-G109 VanDerWaalsContact O-N 3.11Å
110L96.3Very high96.8Very high41 Ų4151.7 Ų51.722%0.21525%0.247CC..  trans-98.8149.4-175.4-65178.6000112.3L105 L108 M114 Y220L105-L110 HydrophobicContact CB-CB 4.16Å; L105-L110 WeakPolarHBondContact CB-O 3.35Å; L105-L110 HydrophobicContact CD2-CB 4.13Å; L105-L110 HydrophobicContact CD2-CD1 4.46Å; L105-L110 PolarHBondContact O-N 3.18Å; L108-L110 HydrophobicContact CB-CB 4.37Å; L108-L110 HydrophobicContact CB-CD1 3.9Å; L108-L110 HydrophobicContact CB-CG 3.86Å; L108-L110 HydrophobicContact CD1-CD1 4.44Å; L108-L110 PolarHBondContact O-N 2.98Å; L110-M114 HydrophobicContact CD2-CB 4.03Å; L110-Y220 HydrophobicContact CD1-CD1 3.92Å; L110-Y220 HydrophobicContact CD1-CE1 3.78Å
111R97.1Very high96.8Very high197 Ų19753.2 Ų53.274%0.74326%0.261SS*.  trans-105.7161.2162.2-63.4176.2179.4173.9-0.6108.2R113 M114 H115R111-R113 VanDerWaalsContact C-N 3.31Å; R111-R113 PolarHBondContact O-N 2.91Å; R111-M114 HydrophobicContact CB-CE 3.8Å; R111-M114 HydrophobicContact CG-CE 3.73Å; R111-M114 WeakPolarHBondContact O-CA 3.38Å; R111-M114 WeakPolarHBondContact O-CB 3.45Å; R111-M114 PolarHBondContact O-N 3.09Å; R111-H115 PolarHBondContact O-N 2.91Å
112L96.4Very high96.8Very high73 Ų7353.2 Ų53.238%0.38226%0.261SS..Hα-helixtrans-52.4-44.6-177.4-179.558.2000113.6M114 H115 V116 V157 C159L112-M114 VanDerWaalsContact C-N 3.32Å; L112-M114 PolarHBondContact O-N 3.35Å; L112-H115 WeakPolarHBondContact O-CB 3.31Å; L112-H115 PolarHBondContact O-N 2.88Å; L112-V116 PolarHBondContact O-N 2.96Å; L112-V157 HydrophobicContact CD1-CG2 3.77Å; L112-C159 HydrophobicContact CD1-CB 3.64Å; L112-C159 HydrophobicContact CD2-CB 3.98Å; L112-C159 HydrophobicContact CG-CB 4.31Å
113R96.3Very high96.8Very high228 Ų22853.3 Ų53.386%0.8626%0.261SS*.Hα-helixtrans-63.1-37.7177.5-69.4-171.2178.9-157.91.1112.6R111 H115 V116 A117R111-R113 VanDerWaalsContact C-N 3.31Å; R111-R113 PolarHBondContact O-N 2.91Å; R113-H115 VanDerWaalsContact C-N 3.34Å; R113-V116 PolarHBondContact O-N 2.92Å; R113-A117 WeakPolarHBondContact O-CB 3.16Å; R113-A117 PolarHBondContact O-N 2.97Å
114M97.9Very high96.9Very high87 Ų8754.3 Ų54.343%0.42927%0.267SS..Hα-helixtrans-69.4-35.1176.1-60.6-169-68.700111.2L110 R111 L112 A117 A118L110-M114 HydrophobicContact CD2-CB 4.03Å; R111-M114 HydrophobicContact CB-CE 3.8Å; R111-M114 HydrophobicContact CG-CE 3.73Å; R111-M114 WeakPolarHBondContact O-CA 3.38Å; R111-M114 WeakPolarHBondContact O-CB 3.45Å; R111-M114 PolarHBondContact O-N 3.09Å; L112-M114 VanDerWaalsContact C-N 3.32Å; L112-M114 PolarHBondContact O-N 3.35Å; M114-A117 PolarHBondContact O-N 3.46Å; M114-A118 VanDerWaalsContact O-CB 3.26Å; M114-A118 WeakPolarHBondContact O-CB 3.45Å; M114-A118 PolarHBondContact O-N 3.02Å
115H98.3Very high97Very high0 Ų058.2 Ų58.20%028%0.282CS..Hα-helixtrans-63.9-44.5173.2174.764.9000112.4L105 R111 L112 R113 A118 L119 Y220L105-H115 HydrophobicContact CD1-CB 4.07Å; L105-H115 HydrophobicContact CD2-CB 3.88Å; R111-H115 PolarHBondContact O-N 2.91Å; L112-H115 WeakPolarHBondContact O-CB 3.31Å; L112-H115 PolarHBondContact O-N 2.88Å; R113-H115 VanDerWaalsContact C-N 3.34Å; H115-A118 WeakPolarHBondContact O-CB 3.19Å; H115-A118 PolarHBondContact O-N 2.98Å; H115-L119 WeakPolarHBondContact O-CG 3.32Å; H115-L119 PolarHBondContact O-N 3.2Å; H115-Y220 PolarHBondContact CE1-OH 2.93Å; H115-Y220 AromaticContact ND1-CE1 3.76Å; H115-Y220 AromaticContact ND1-CZ 3.75Å; H115-Y220 PolarHBondContact ND1-OH 3.41Å
116V98.2Very high97.1Very high27 Ų2758.1 Ų58.116%0.16428%0.281CS..Hα-helixtrans-61.4-47.3174.6173.70000110.8L112 R113 A118 L119 E120 T143 I155 V157L112-V116 PolarHBondContact O-N 2.96Å; R113-V116 PolarHBondContact O-N 2.92Å; V116-A118 VanDerWaalsContact C-N 3.28Å; V116-A118 PolarHBondContact O-N 3.44Å; V116-L119 WeakPolarHBondContact O-CB 3.48Å; V116-L119 PolarHBondContact O-N 2.94Å; V116-L119 VanDerWaalsContact O-N 3.13Å; V116-E120 PolarHBondContact O-N 3.42Å; V116-T143 HydrophobicContact CG1-CG2 3.95Å; V116-I155 HydrophobicContact CG1-CG2 4.25Å; V116-V157 HydrophobicContact CG2-CG2 3.56Å
117A98.4Very high97.4Very high50 Ų5051 Ų5141%0.41325%0.254SS..Hα-helixtrans-61.9-35.3176.700000112.5R113 M114 E120 A121R113-A117 WeakPolarHBondContact O-CB 3.16Å; R113-A117 PolarHBondContact O-N 2.97Å; M114-A117 PolarHBondContact O-N 3.46Å; A117-E120 PolarHBondContact O-N 3.2Å; A117-A121 WeakPolarHBondContact O-CB 3.48Å; A117-A121 PolarHBondContact O-N 3.11Å
118A98.6Very high97.6Very high12 Ų1249.2 Ų49.210%0.09925%0.25CC..Hα-helixtrans-66.2-38.4174.600000112M114 H115 V116 A121 C122 I219 Y220M114-A118 VanDerWaalsContact O-CB 3.26Å; M114-A118 WeakPolarHBondContact O-CB 3.45Å; M114-A118 PolarHBondContact O-N 3.02Å; H115-A118 WeakPolarHBondContact O-CB 3.19Å; H115-A118 PolarHBondContact O-N 2.98Å; V116-A118 VanDerWaalsContact C-N 3.28Å; V116-A118 PolarHBondContact O-N 3.44Å; A118-A121 PolarHBondContact O-N 3.43Å; A118-C122 PolarHBondContact O-N 3.26Å; A118-C122 PolarHBondContact O-SG 2.91Å; A118-I219 HydrophobicContact CB-CG2 3.77Å; A118-Y220 HydrophobicContact CB-CD2 4.48Å; A118-Y220 HydrophobicContact CB-CE1 4.45Å; A118-Y220 HydrophobicContact CB-CE2 3.8Å
119L98.8Very high97.8Very high0 Ų051.4 Ų51.40%026%0.261CS..Hα-helixtrans-66-42.6173.3-70.5171.1000112.1P101 H115 V116 A121 C122 A123 I155 V157 L168P101-L119 HydrophobicContact CG-CD1 4.38Å; P101-L119 HydrophobicContact CG-CD2 3.87Å; H115-L119 WeakPolarHBondContact O-CG 3.32Å; H115-L119 PolarHBondContact O-N 3.2Å; V116-L119 WeakPolarHBondContact O-CB 3.48Å; V116-L119 PolarHBondContact O-N 2.94Å; V116-L119 VanDerWaalsContact O-N 3.13Å; L119-A121 VanDerWaalsContact C-N 3.34Å; L119-C122 PolarHBondContact O-N 3.21Å; L119-A123 PolarHBondContact O-N 2.9Å; L119-A123 VanDerWaalsContact O-N 3.09Å; L119-I155 HydrophobicContact CB-CD1 3.98Å; L119-I155 HydrophobicContact CB-CG2 4.43Å; L119-I155 HydrophobicContact CD1-CG2 4.16Å; L119-V157 HydrophobicContact CD1-CG1 3.68Å; L119-L168 HydrophobicContact CB-CD2 4.13Å; L119-L168 HydrophobicContact CD2-CD2 3.85Å; L119-L168 HydrophobicContact CD2-CG 4.44Å
120E98.8Very high98Very high24 Ų2450 Ų5011%0.11224%0.238CC..Hα-helixtrans-58.3-47.8173.3-72.8174.3155.600110.7V116 A117 C122 A123 V124 A137 G144 V145 I155V116-E120 PolarHBondContact O-N 3.42Å; A117-E120 PolarHBondContact O-N 3.2Å; E120-C122 VanDerWaalsContact C-N 3.31Å; E120-C122 PolarHBondContact O-N 2.83Å; E120-A123 PolarHBondContact O-N 2.89Å; E120-V124 WeakPolarHBondContact O-CG2 3.45Å; E120-V124 PolarHBondContact O-N 3.47Å; E120-A137 HydrophobicContact CB-CB 3.88Å; E120-A137 HydrophobicContact CG-CB 4.25Å; E120-G144 PolarHBondContact OE1-N 3.29Å; E120-G144 VanDerWaalsContact OE1-N 3.09Å; E120-V145 HydrophobicContact CB-CG2 4.42Å; E120-V145 WeakPolarHBondContact O-CG2 3.4Å; E120-I155 HydrophobicContact CB-CD1 4.13Å; E120-I155 HydrophobicContact CG-CD1 3.29Å
121A98.8Very high98Very high39 Ų3950.4 Ų50.432%0.32225%0.253SS..Hα-helixtrans-60.3-38.1176.500000112.4A117 A118 L119 V124 R125 I219A117-A121 WeakPolarHBondContact O-CB 3.48Å; A117-A121 PolarHBondContact O-N 3.11Å; A118-A121 PolarHBondContact O-N 3.43Å; L119-A121 VanDerWaalsContact C-N 3.34Å; A121-V124 PolarHBondContact O-N 3.13Å; A121-R125 WeakPolarHBondContact O-CB 3.41Å; A121-R125 PolarHBondContact O-N 2.84Å; A121-I219 HydrophobicContact CB-CD1 3.75Å; A121-I219 HydrophobicContact CB-CG1 4.3Å; A121-I219 HydrophobicContact CB-CG2 4.2Å; A121-I219 WeakPolarHBondContact O-CD1 3.44Å
122C98.8Very high98Very high0 Ų041.9 Ų41.90%022%0.222CC..Hα-helixtrans-64.6-43.8178.5-69.40000111A118 L119 E120 L126 F212 I219A118-C122 PolarHBondContact O-N 3.26Å; A118-C122 PolarHBondContact O-SG 2.91Å; L119-C122 PolarHBondContact O-N 3.21Å; E120-C122 VanDerWaalsContact C-N 3.31Å; E120-C122 PolarHBondContact O-N 2.83Å; C122-L126 WeakPolarHBondContact O-CB 3.24Å; C122-L126 PolarHBondContact O-N 2.86Å; C122-F212 HydrophobicContact CB-CE2 3.93Å; C122-F212 HydrophobicContact CB-CZ 4.37Å; C122-I219 VanDerWaalsContact CA-CD1 3.41Å; C122-I219 HydrophobicContact CB-CD1 4.13Å; C122-I219 VanDerWaalsContact N-CD1 3.3Å; C122-I219 VanDerWaalsContact SG-CD1 3.6Å
123A98.8Very high98Very high1 Ų144.5 Ų44.51%0.00823%0.232CC..Hα-helixtrans-70.2-40.1178.400000112.3L119 E120 L126 C127 V145 C153 L168 L170L119-A123 PolarHBondContact O-N 2.9Å; L119-A123 VanDerWaalsContact O-N 3.09Å; E120-A123 PolarHBondContact O-N 2.89Å; A123-L126 PolarHBondContact O-N 3.42Å; A123-C127 PolarHBondContact O-N 2.79Å; A123-C127 PolarHBondContact O-SG 3.19Å; A123-V145 HydrophobicContact CB-CB 4.27Å; A123-V145 HydrophobicContact CB-CG2 3.55Å; A123-C153 HydrophobicContact CB-CB 3.99Å; A123-L168 HydrophobicContact CB-CD2 4.45Å; A123-L170 HydrophobicContact CB-CD1 4.45Å
124V98.8Very high98.1Very high22 Ų2239.1 Ų39.113%0.13322%0.221CC..Hα-helixtrans-59-52172.11680000110.2E120 A121 L126 C127 E128 A135 V145E120-V124 WeakPolarHBondContact O-CG2 3.45Å; E120-V124 PolarHBondContact O-N 3.47Å; A121-V124 PolarHBondContact O-N 3.13Å; V124-L126 VanDerWaalsContact C-N 3.28Å; V124-L126 PolarHBondContact O-N 3.15Å; V124-C127 WeakPolarHBondContact O-CA 3.46Å; V124-C127 WeakPolarHBondContact O-CB 3.37Å; V124-C127 PolarHBondContact O-N 3.37Å; V124-E128 HydrophobicContact CG1-CG 4.41Å; V124-E128 WeakPolarHBondContact O-CG 3.26Å; V124-E128 PolarHBondContact O-N 2.94Å; V124-A135 WeakPolarHBondContact CG1-O 3.36Å; V124-V145 HydrophobicContact CG2-CB 4.45Å; V124-V145 HydrophobicContact CG2-CG1 3.7Å; V124-V145 HydrophobicContact CG2-CG2 3.88Å
125R98.6Very high98.1Very high86 Ų8635.2 Ų35.233%0.32520%0.202SC..Hα-helixtrans-59.3-40.4-179.2-178.556.7179.8153.13.5112.2A121 E128 L129 A215 E218 I219A121-R125 WeakPolarHBondContact O-CB 3.41Å; A121-R125 PolarHBondContact O-N 2.84Å; R125-E128 VanDerWaalsContact CD-OE2 3.28Å; R125-E128 WeakPolarHBondContact CD-OE2 3.49Å; R125-E128 IonicContact CZ-OE2 3.54Å; R125-E128 IonicContact NH1-OE2 3.64Å; R125-E128 PolarHBondContact NH1-OE2 2.88Å; R125-E128 PolarHBondContact O-N 2.92Å; R125-L129 HydrophobicContact CG-CD1 4.37Å; R125-L129 VanDerWaalsContact O-CG 3.27Å; R125-L129 WeakPolarHBondContact O-CG 3.47Å; R125-L129 PolarHBondContact O-N 2.83Å; R125-A215 HydrophobicContact CB-CB 3.92Å; R125-A215 HydrophobicContact CG-CB 3.68Å; R125-E218 IonicContact NE-OE2 3.93Å; R125-I219 HydrophobicContact CB-CD1 4.21Å
126L98.4Very high98.1Very high0 Ų040.2 Ų40.20%022%0.221CC..Hα-helixtrans-62.4-44.8173.5174.661.9000111.7C122 A123 V124 E128 L129 Q130 L170 V208 P211 F212C122-L126 WeakPolarHBondContact O-CB 3.24Å; C122-L126 PolarHBondContact O-N 2.86Å; A123-L126 PolarHBondContact O-N 3.42Å; V124-L126 VanDerWaalsContact C-N 3.28Å; V124-L126 PolarHBondContact O-N 3.15Å; L126-E128 VanDerWaalsContact C-N 3.34Å; L126-E128 PolarHBondContact O-N 3.07Å; L126-L129 PolarHBondContact O-N 2.73Å; L126-Q130 HydrophobicContact CD1-CG 4.23Å; L126-Q130 VanDerWaalsContact O-CG 3.31Å; L126-Q130 WeakPolarHBondContact O-CG 3.31Å; L126-Q130 PolarHBondContact O-N 3.05Å; L126-Q130 VanDerWaalsContact O-N 3.08Å; L126-L170 HydrophobicContact CD2-CD2 3.27Å; L126-L170 HydrophobicContact CG-CD2 4.37Å; L126-V208 HydrophobicContact CD1-CB 4.16Å; L126-V208 HydrophobicContact CD2-CB 4.18Å; L126-P211 HydrophobicContact CD1-CB 3.87Å; L126-P211 HydrophobicContact CD1-CG 3.73Å; L126-F212 HydrophobicContact CB-CD2 4.49Å; L126-F212 HydrophobicContact CD1-CB 4.5Å; L126-F212 HydrophobicContact CD2-CB 4.08Å; L126-F212 HydrophobicContact CD2-CD2 3.85Å; L126-F212 HydrophobicContact CD2-CG 4.4Å
127C98.4Very high98.1Very high0 Ų041.1 Ų41.10%023%0.231CC..Hα-helixtrans-60.2-43.7177.6-66.80000111.6A123 V124 L129 Q130 G131 L132 A135A123-C127 PolarHBondContact O-N 2.79Å; A123-C127 PolarHBondContact O-SG 3.19Å; V124-C127 WeakPolarHBondContact O-CA 3.46Å; V124-C127 WeakPolarHBondContact O-CB 3.37Å; V124-C127 PolarHBondContact O-N 3.37Å; C127-L129 PolarHBondContact O-N 3.38Å; C127-Q130 CarbonylContact O-C 3.47Å; C127-Q130 PolarHBondContact O-N 2.93Å; C127-Q130 VanDerWaalsContact O-N 3.08Å; C127-G131 PolarHBondContact O-N 3.13Å; C127-L132 HydrophobicContact CB-CB 4.13Å; C127-L132 WeakPolarHBondContact O-CB 3.36Å; C127-L132 PolarHBondContact O-N 3.15Å; C127-A135 HydrophobicContact CB-CB 3.35Å
128E97.9Very high97.9Very high58 Ų5842 Ų4227%0.27122%0.224SC..Hα-helixtrans-57.7-46174.2-67.5170.8177.900111.9V124 R125 L126 Q130 G131 Q133V124-E128 HydrophobicContact CG1-CG 4.41Å; V124-E128 WeakPolarHBondContact O-CG 3.26Å; V124-E128 PolarHBondContact O-N 2.94Å; R125-E128 VanDerWaalsContact CD-OE2 3.28Å; R125-E128 WeakPolarHBondContact CD-OE2 3.49Å; R125-E128 IonicContact CZ-OE2 3.54Å; R125-E128 IonicContact NH1-OE2 3.64Å; R125-E128 PolarHBondContact NH1-OE2 2.88Å; R125-E128 PolarHBondContact O-N 2.92Å; L126-E128 VanDerWaalsContact C-N 3.34Å; L126-E128 PolarHBondContact O-N 3.07Å; E128-Q130 PolarHBondContact O-N 3.37Å; E128-G131 PolarHBondContact O-N 3.08Å; E128-Q133 PolarHBondContact O-NE2 2.83Å
129L96.9Very high97.5Very high73 Ų7345.9 Ų45.938%0.38225%0.25SS..Hα-helixtrans-63.6-23.2177.8-72.1171.9000112.8R125 L126 C127 P211R125-L129 HydrophobicContact CG-CD1 4.37Å; R125-L129 VanDerWaalsContact O-CG 3.27Å; R125-L129 WeakPolarHBondContact O-CG 3.47Å; R125-L129 PolarHBondContact O-N 2.83Å; L126-L129 PolarHBondContact O-N 2.73Å; C127-L129 PolarHBondContact O-N 3.38Å; L129-P211 HydrophobicContact CD1-CB 4.01Å
130Q97.1Very high96.9Very high31 Ų3151.1 Ų51.115%0.14528%0.284CS..THydrogen-bonded Turntrans-90.1-2174.8-64.3-62-59.500113.2L126 C127 E128 L195 L199L126-Q130 HydrophobicContact CD1-CG 4.23Å; L126-Q130 VanDerWaalsContact O-CG 3.31Å; L126-Q130 WeakPolarHBondContact O-CG 3.31Å; L126-Q130 PolarHBondContact O-N 3.05Å; L126-Q130 VanDerWaalsContact O-N 3.08Å; C127-Q130 CarbonylContact O-C 3.47Å; C127-Q130 PolarHBondContact O-N 2.93Å; C127-Q130 VanDerWaalsContact O-N 3.08Å; E128-Q130 PolarHBondContact O-N 3.37Å; Q130-L195 HydrophobicContact CB-CD2 4.31Å; Q130-L195 HydrophobicContact CG-CD1 4.47Å; Q130-L195 HydrophobicContact CG-CD2 4.39Å; Q130-L199 HydrophobicContact CB-CD1 4.06Å; Q130-L199 WeakPolarHBondContact O-CD2 3.42Å
131G96.5Very high96.5Very high51 Ų5154 Ų5453%0.52631%0.305SS..THydrogen-bonded Turntrans98.74.1179.200000115.4C127 E128 Q133C127-G131 PolarHBondContact O-N 3.13Å; E128-G131 PolarHBondContact O-N 3.08Å; G131-Q133 PolarHBondContact O-N 2.91Å
132L97.8Very high96.2Very high18 Ų1855.7 Ų55.79%0.09430%0.303CS..  trans-96.578.4-179.8-57.9176.1000110.6C127 D134 A135 L147 I152 L195 E198 L199C127-L132 HydrophobicContact CB-CB 4.13Å; C127-L132 WeakPolarHBondContact O-CB 3.36Å; C127-L132 PolarHBondContact O-N 3.15Å; L132-D134 VanDerWaalsContact C-N 3.29Å; L132-D134 PolarHBondContact O-N 3.39Å; L132-A135 WeakPolarHBondContact O-CB 3.2Å; L132-A135 PolarHBondContact O-N 2.94Å; L132-L147 HydrophobicContact CD1-CD1 4.04Å; L132-I152 HydrophobicContact CD1-CD1 4.08Å; L132-L195 HydrophobicContact CD1-CD2 3.56Å; L132-E198 HydrophobicContact CD1-CB 3.96Å; L132-E198 HydrophobicContact CD2-CB 3.81Å; L132-L199 HydrophobicContact CD1-CG 4.39Å; L132-L199 HydrophobicContact CD2-CD2 3.68Å; L132-L199 HydrophobicContact CD2-CG 4.12Å; L132-L199 HydrophobicContact CG-CD2 4.02Å; L132-L199 HydrophobicContact CG-CG 4.3Å
133Q97.1Very high96Very high127 Ų12757.9 Ų57.959%0.59332%0.317SS*.THydrogen-bonded Turntrans-69.4-22.5-173.6-58.9-58.3-43.300114.1E128 G131 A135E128-Q133 PolarHBondContact O-NE2 2.83Å; G131-Q133 PolarHBondContact O-N 2.91Å; Q133-A135 VanDerWaalsContact C-N 3.26Å; Q133-A135 PolarHBondContact O-N 2.99Å
134D96.9Very high96Very high115 Ų11557.9 Ų57.962%0.61532%0.317SS*.THydrogen-bonded Turntrans-83.6-1.3-178.6-61.7-45.5000113.7L132 R136 L147L132-D134 VanDerWaalsContact C-N 3.29Å; L132-D134 PolarHBondContact O-N 3.39Å; D134-R136 PolarHBondContact O-N 3.04Å; D134-R136 PolarHBondContact O-NH1 3.47Å; D134-L147 HydrophobicContact CB-CD2 3.98Å
135A98.1Very high96Very high5 Ų556.8 Ų56.84%0.04131%0.31CS..  trans-66.9127.5-179.900000110.7V124 C127 L132 Q133 V145 W146 L147V124-A135 WeakPolarHBondContact CG1-O 3.36Å; C127-A135 HydrophobicContact CB-CB 3.35Å; L132-A135 WeakPolarHBondContact O-CB 3.2Å; L132-A135 PolarHBondContact O-N 2.94Å; Q133-A135 VanDerWaalsContact C-N 3.26Å; Q133-A135 PolarHBondContact O-N 2.99Å; A135-V145 HydrophobicContact CB-CG1 4.19Å; A135-W146 WeakPolarHBondContact CA-O 3.3Å; A135-L147 HydrophobicContact CB-CD2 4.07Å; A135-L147 HydrophobicContact CB-CG 4.39Å
136R98.4Very high95.9Very high106 Ų10652.7 Ų52.740%0.430%0.295SS..EExtended strand (participates in β ladder)trans-147150-173.762-167.6179.5-88.97.9113.9D134 V145 W146 D148D134-R136 PolarHBondContact O-N 3.04Å; D134-R136 PolarHBondContact O-NH1 3.47Å; R136-V145 WeakPolarHBondContact O-CA 3.38Å; R136-W146 PolarHBondContact N-O 3.49Å; R136-W146 PolarHBondContact O-N 2.65Å; R136-D148 IonicContact NH1-OD1 3.65Å; R136-D148 IonicContact NH2-OD1 3.71Å
137A97.6Very high95.9Very high46 Ų4653.1 Ų53.138%0.3830%0.297SS..EExtended strand (participates in β ladder)trans-69.6153.5162.500000110E120E120-A137 HydrophobicContact CB-CB 3.88Å; E120-A137 HydrophobicContact CG-CB 4.25Å
138R94.8Very high95.7Very high69 Ų6957 Ų5726%0.2632%0.318SS..  trans-128.6151.3176.9-69.5176.864.3-173.5-2.7110.5Y142 W146R138-Y142 HydrophobicContact CB-CG 4.49Å; R138-W146 VanDerWaalsContact CD-CG 3.45Å; R138-W146 HydrophobicContact CG-CB 4.36Å; R138-W146 HydrophobicContact CG-CG 4.09Å
139S89.9Confident95.5Very high93 Ų9358.1 Ų58.165%0.6533%0.326SS*.  trans-62154.5174.7-54.50000111.4Y142S139-Y142 WeakPolarHBondContact O-CB 3.34Å; S139-Y142 WeakPolarHBondContact O-CD2 3.26Å; S139-Y142 PolarHBondContact O-N 2.88Å
140P86.4Confident95.5Very high109 Ų10957.7 Ų57.771%0.70832%0.319SS*.THydrogen-bonded Turntrans-49.6143.2173-28.736.1000112.6Y142P140-Y142 VanDerWaalsContact C-N 3.35Å
141P89.5Confident95.5Very high84 Ų8457 Ų5755%0.54532%0.315SS..THydrogen-bonded Turncis-84.57.28.635.2-37.6000115.1T143 L187P141-T143 VanDerWaalsContact C-N 3.27Å; P141-T143 PolarHBondContact O-N 3.1Å; P141-T143 VanDerWaalsContact O-N 3.07Å; P141-L187 HydrophobicContact CB-CD2 4.37Å; P141-L187 HydrophobicContact CG-CD2 4.03Å
142Y93.4Very high95.6Very high75 Ų7554.6 Ų54.629%0.29429%0.29SS..  trans-8640.1-170.3-55.1-82.1000114.1R138 S139 P140 G144 W146 L187 T190R138-Y142 HydrophobicContact CB-CG 4.49Å; S139-Y142 WeakPolarHBondContact O-CB 3.34Å; S139-Y142 WeakPolarHBondContact O-CD2 3.26Å; S139-Y142 PolarHBondContact O-N 2.88Å; P140-Y142 VanDerWaalsContact C-N 3.35Å; Y142-G144 PolarHBondContact O-N 2.78Å; Y142-W146 HydrophobicContact CD1-CH2 4.02Å; Y142-W146 AromaticContact CD1-CZ2 3.85Å; Y142-W146 HydrophobicContact CD1-CZ2 3.85Å; Y142-W146 HydrophobicContact CG-CZ2 4.31Å; Y142-W146 PolarHBondContact O-NE1 3.46Å; Y142-L187 HydrophobicContact CD1-CD1 3.82Å; Y142-L187 HydrophobicContact CD1-CD2 4.21Å; Y142-L187 HydrophobicContact CE1-CD1 4.31Å; Y142-L187 HydrophobicContact CE1-CD2 4.02Å; Y142-T190 HydrophobicContact CE1-CG2 4.18Å
143T95.5Very high95.6Very high47 Ų4753.7 Ų53.729%0.28829%0.286SS..  trans-55.1133.9177.6-620000111.4V116 P141 K151 I155V116-T143 HydrophobicContact CG1-CG2 3.95Å; P141-T143 VanDerWaalsContact C-N 3.27Å; P141-T143 PolarHBondContact O-N 3.1Å; P141-T143 VanDerWaalsContact O-N 3.07Å; T143-K151 PolarHBondContact O-NZ 3.23Å; T143-I155 HydrophobicContact CG2-CB 4.1Å; T143-I155 HydrophobicContact CG2-CG2 4.35Å
144G97.1Very high95.7Very high0 Ų048.5 Ų48.50%026%0.264CS..SBendtrans123.1-174.4-170.800000112.8E120 Y142 C153E120-G144 PolarHBondContact OE1-N 3.29Å; E120-G144 VanDerWaalsContact OE1-N 3.09Å; Y142-G144 PolarHBondContact O-N 2.78Å; G144-C153 CarbonylContact C-O 3.55Å; G144-C153 WeakPolarHBondContact CA-O 3.35Å
145V98.6Very high95.7Very high0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-114140.6178-177.20000110.2E120 A123 V124 A135 R136 I152 C153E120-V145 HydrophobicContact CB-CG2 4.42Å; E120-V145 WeakPolarHBondContact O-CG2 3.4Å; A123-V145 HydrophobicContact CB-CB 4.27Å; A123-V145 HydrophobicContact CB-CG2 3.55Å; V124-V145 HydrophobicContact CG2-CB 4.45Å; V124-V145 HydrophobicContact CG2-CG1 3.7Å; V124-V145 HydrophobicContact CG2-CG2 3.88Å; A135-V145 HydrophobicContact CB-CG1 4.19Å; R136-V145 WeakPolarHBondContact O-CA 3.38Å; V145-I152 HydrophobicContact CB-CG2 4.09Å; V145-I152 HydrophobicContact CG1-CG2 3.87Å; V145-I152 WeakPolarHBondContact O-CG2 3.2Å; V145-I152 PolarHBondContact O-N 2.91Å; V145-C153 HydrophobicContact CB-CB 3.84Å; V145-C153 HydrophobicContact CG2-CB 4.22Å; V145-C153 PolarHBondContact N-O 3.05Å; V145-C153 PolarHBondContact O-N 2.78Å
146W98.5Very high95.6Very high0 Ų044.2 Ų44.20%024%0.243CC..EExtended strand (participates in β ladder)trans-136.5147.1-166.6-57.880000111.9A135 R136 R138 Y142 R150 K151 L187 T190A135-W146 WeakPolarHBondContact CA-O 3.3Å; R136-W146 PolarHBondContact N-O 3.49Å; R136-W146 PolarHBondContact O-N 2.65Å; R138-W146 VanDerWaalsContact CD-CG 3.45Å; R138-W146 HydrophobicContact CG-CB 4.36Å; R138-W146 HydrophobicContact CG-CG 4.09Å; Y142-W146 HydrophobicContact CD1-CH2 4.02Å; Y142-W146 AromaticContact CD1-CZ2 3.85Å; Y142-W146 HydrophobicContact CD1-CZ2 3.85Å; Y142-W146 HydrophobicContact CG-CZ2 4.31Å; Y142-W146 PolarHBondContact O-NE1 3.46Å; W146-R150 CarbonylContact C-O 3.52Å; W146-R150 VanDerWaalsContact CA-O 3.31Å; W146-R150 WeakPolarHBondContact CA-O 3.32Å; W146-K151 HydrophobicContact CD2-CB 4.03Å; W146-K151 HydrophobicContact CD2-CG 4.34Å; W146-K151 HydrophobicContact CE3-CB 3.7Å; W146-K151 HydrophobicContact CE3-CG 4.48Å; W146-K151 VanDerWaalsContact CE3-N 3.33Å; W146-K151 HydrophobicContact CH2-CB 3.98Å; W146-K151 HydrophobicContact CH2-CD 4.45Å; W146-K151 HydrophobicContact CZ2-CB 4.33Å; W146-K151 HydrophobicContact CZ2-CD 4.27Å; W146-K151 HydrophobicContact CZ2-CG 4.41Å; W146-K151 HydrophobicContact CZ3-CB 3.63Å; W146-L187 HydrophobicContact CH2-CD1 3.68Å; W146-L187 HydrophobicContact CZ2-CD1 3.84Å; W146-T190 HydrophobicContact CH2-CG2 4.18Å; W146-T190 HydrophobicContact CZ3-CG2 4.1Å
147L97.3Very high95.6Very high9 Ų940 Ų405%0.04723%0.229CC..EExtended strand (participates in β ladder)trans-112.4107.1160.6-74.9160.7000106.4L132 D134 A135 D149 R150 I152 T193 E198L132-L147 HydrophobicContact CD1-CD1 4.04Å; D134-L147 HydrophobicContact CB-CD2 3.98Å; A135-L147 HydrophobicContact CB-CD2 4.07Å; A135-L147 HydrophobicContact CB-CG 4.39Å; L147-D149 PolarHBondContact O-N 2.85Å; L147-D149 VanDerWaalsContact O-N 3.14Å; L147-R150 PolarHBondContact N-O 3.06Å; L147-R150 WeakPolarHBondContact O-CB 3.45Å; L147-R150 PolarHBondContact O-N 3.31Å; L147-I152 HydrophobicContact CD1-CD1 4.16Å; L147-T193 HydrophobicContact CD1-CG2 4.26Å; L147-E198 HydrophobicContact CD1-CB 4.21Å; L147-E198 HydrophobicContact CD1-CG 3.55Å
148D93.8Very high95.6Very high82 Ų8244.3 Ų44.344%0.43924%0.236SC..THydrogen-bonded Turntrans54.7-114.3-170-52.5-42000112.6R136 R150R136-D148 IonicContact NH1-OD1 3.65Å; R136-D148 IonicContact NH2-OD1 3.71Å; D148-R150 IonicContact OD2-NH1 2.96Å; D148-R150 IonicContact OD2-NH2 2.83Å
149D93.8Very high95.7Very high80 Ų8043.3 Ų43.343%0.42824%0.239SC..THydrogen-bonded Turntrans-962.4178.565.4-20.8000113.2L147 G191L147-D149 PolarHBondContact O-N 2.85Å; L147-D149 VanDerWaalsContact O-N 3.14Å; D149-G191 PolarHBondContact O-N 3.26Å
150R96.6Very high95.9Very high64 Ų6440.4 Ų40.424%0.24222%0.223CC..EExtended strand (participates in β ladder)trans-104.6121.1-178-57.1178.1-60.3-68.54.7111.4W146 L147 D148 G191 T193 E198W146-R150 CarbonylContact C-O 3.52Å; W146-R150 VanDerWaalsContact CA-O 3.31Å; W146-R150 WeakPolarHBondContact CA-O 3.32Å; L147-R150 PolarHBondContact N-O 3.06Å; L147-R150 WeakPolarHBondContact O-CB 3.45Å; L147-R150 PolarHBondContact O-N 3.31Å; D148-R150 IonicContact OD2-NH1 2.96Å; D148-R150 IonicContact OD2-NH2 2.83Å; R150-G191 CarbonylContact C-O 3.52Å; R150-G191 WeakPolarHBondContact CA-O 3.24Å; R150-T193 HydrophobicContact CB-CG2 3.95Å; R150-E198 IonicContact CZ-OE1 3.98Å; R150-E198 IonicContact NE-OE1 3.71Å; R150-E198 PolarHBondContact NE-OE1 2.84Å; R150-E198 IonicContact NH2-OE1 2.68Å; R150-E198 IonicContact NH2-OE2 3.2Å; R150-E198 PolarHBondContact NH2-OE2 3.07Å
151K97.9Very high96.1Very high17 Ų1743.8 Ų43.87%0.07422%0.222CC..EExtended strand (participates in β ladder)trans-78.3124.2177-170.9175.2-64.6-165.90110.6T143 W146 C153 A154 C185 G191 V192 T193T143-K151 PolarHBondContact O-NZ 3.23Å; W146-K151 HydrophobicContact CD2-CB 4.03Å; W146-K151 HydrophobicContact CD2-CG 4.34Å; W146-K151 HydrophobicContact CE3-CB 3.7Å; W146-K151 HydrophobicContact CE3-CG 4.48Å; W146-K151 VanDerWaalsContact CE3-N 3.33Å; W146-K151 HydrophobicContact CH2-CB 3.98Å; W146-K151 HydrophobicContact CH2-CD 4.45Å; W146-K151 HydrophobicContact CZ2-CB 4.33Å; W146-K151 HydrophobicContact CZ2-CD 4.27Å; W146-K151 HydrophobicContact CZ2-CG 4.41Å; W146-K151 HydrophobicContact CZ3-CB 3.63Å; K151-C153 WeakPolarHBondContact CG-O 3.26Å; K151-A154 HydrophobicContact CD-CB 4.22Å; K151-C185 PolarHBondContact NZ-SG 2.67Å; K151-G191 PolarHBondContact N-O 2.98Å; K151-V192 CarbonylContact O-C 3.56Å; K151-V192 WeakPolarHBondContact O-CA 3.47Å; K151-T193 PolarHBondContact O-N 3.35Å
152I98.6Very high96.4Very high0 Ų044.8 Ų44.80%022%0.219CC..EExtended strand (participates in β ladder)trans-99.3-27.5173.5-166.2165.6000112.4L132 V145 L147 L170 N171 T193 L195L132-I152 HydrophobicContact CD1-CD1 4.08Å; V145-I152 HydrophobicContact CB-CG2 4.09Å; V145-I152 HydrophobicContact CG1-CG2 3.87Å; V145-I152 WeakPolarHBondContact O-CG2 3.2Å; V145-I152 PolarHBondContact O-N 2.91Å; L147-I152 HydrophobicContact CD1-CD1 4.16Å; I152-L170 HydrophobicContact CG1-CD1 4.29Å; I152-N171 PolarHBondContact O-N 3.25Å; I152-T193 HydrophobicContact CB-CG2 3.8Å; I152-T193 HydrophobicContact CD1-CG2 4.34Å; I152-T193 HydrophobicContact CG1-CG2 4.14Å; I152-L195 HydrophobicContact CD1-CD2 3.75Å; I152-L195 HydrophobicContact CD1-CG 4.09Å
153C98.6Very high96.6Very high0 Ų041.4 Ų41.40%021%0.206CC..EExtended strand (participates in β ladder)trans-134.9123.1179.4-166.10000111.7A123 G144 V145 K151 A169 L170A123-C153 HydrophobicContact CB-CB 3.99Å; G144-C153 CarbonylContact C-O 3.55Å; G144-C153 WeakPolarHBondContact CA-O 3.35Å; V145-C153 HydrophobicContact CB-CB 3.84Å; V145-C153 HydrophobicContact CG2-CB 4.22Å; V145-C153 PolarHBondContact N-O 3.05Å; V145-C153 PolarHBondContact O-N 2.78Å; K151-C153 WeakPolarHBondContact CG-O 3.26Å; C153-A169 CarbonylContact C-O 3.53Å; C153-A169 WeakPolarHBondContact CA-O 3.36Å; C153-A169 PolarHBondContact SG-O 2.93Å; C153-L170 HydrophobicContact CB-CD1 3.76Å
154A97.9Very high96.7Very high17 Ų1739.2 Ų39.214%0.1419%0.193CC..EExtended strand (participates in β ladder)trans-90.5141.7170.400000110.5K151 L168 A169K151-A154 HydrophobicContact CD-CB 4.22Å; A154-L168 CarbonylContact O-C 3.6Å; A154-L168 VanDerWaalsContact O-CA 3.26Å; A154-L168 WeakPolarHBondContact O-CA 3.41Å; A154-A169 PolarHBondContact N-O 3.45Å; A154-A169 PolarHBondContact O-N 3.23Å
155I97.9Very high96.8Very high20 Ų2039.4 Ų39.410%0.10319%0.194CC..EExtended strand (participates in β ladder)trans-129.3125.4177.4-63.1171.2000109.1V116 L119 E120 T143 V157 G167 L168V116-I155 HydrophobicContact CG1-CG2 4.25Å; L119-I155 HydrophobicContact CB-CD1 3.98Å; L119-I155 HydrophobicContact CB-CG2 4.43Å; L119-I155 HydrophobicContact CD1-CG2 4.16Å; E120-I155 HydrophobicContact CB-CD1 4.13Å; E120-I155 HydrophobicContact CG-CD1 3.29Å; T143-I155 HydrophobicContact CG2-CB 4.1Å; T143-I155 HydrophobicContact CG2-CG2 4.35Å; I155-V157 HydrophobicContact CG2-CG1 4.41Å; I155-G167 WeakPolarHBondContact CA-O 3.34Å; I155-L168 HydrophobicContact CG1-CB 3.74Å
156G96.3Very high96.7Very high10 Ų1040 Ų4010%0.10320%0.197CC..EExtended strand (participates in β ladder)trans-148.7109.3178.400000109.4H166 G167G156-H166 WeakPolarHBondContact O-CB 3.49Å; G156-G167 PolarHBondContact N-O 2.96Å; G156-G167 PolarHBondContact O-N 3.23Å; G156-G167 VanDerWaalsContact O-N 3.13Å
157V97.5Very high96.7Very high19 Ų1940.1 Ų40.112%0.11520%0.199CC..EExtended strand (participates in β ladder)trans-113.7152.5-177.3-63.20000111G86 L112 V116 L119 I155G86-V157 PolarHBondContact N-O 3.29Å; L112-V157 HydrophobicContact CD1-CG2 3.77Å; V116-V157 HydrophobicContact CG2-CG2 3.56Å; L119-V157 HydrophobicContact CD1-CG1 3.68Å; I155-V157 HydrophobicContact CG2-CG1 4.41Å
158R97.1Very high96.8Very high136 Ų13639.8 Ų39.851%0.51320%0.197SC..EExtended strand (participates in β ladder)trans-113146.4162.1-177.3-177.6177.8175.4-0.8107.9G84 T164 S165G84-R158 WeakPolarHBondContact O-CB 3.48Å; G84-R158 WeakPolarHBondContact O-CD 3.41Å; G84-R158 WeakPolarHBondContact O-CG 3.48Å; R158-T164 CarbonylContact O-C 3.59Å; R158-T164 VanDerWaalsContact O-CA 3.25Å; R158-T164 WeakPolarHBondContact O-CA 3.37Å; R158-S165 PolarHBondContact N-O 2.89Å; R158-S165 PolarHBondContact O-N 3.25Å
159C96.6Very high97Very high48 Ų4836.1 Ų36.132%0.32418%0.178SC..EExtended strand (participates in β ladder)trans-140.1128.6172.2177.40000110L112 I163 T164L112-C159 HydrophobicContact CD1-CB 3.64Å; L112-C159 HydrophobicContact CD2-CB 3.98Å; L112-C159 HydrophobicContact CG-CB 4.31Å; C159-I163 WeakPolarHBondContact CA-O 3.32Å; C159-T164 HydrophobicContact CB-CG2 4.39Å
160G94.6Very high97.3Very high32 Ų3232.3 Ų32.333%0.3316%0.157SC..EExtended strand (participates in β ladder)trans-141135.5174.600000109.9H162 I163G160-H162 PolarHBondContact O-N 3.13Å; G160-I163 PolarHBondContact N-O 2.76Å; G160-I163 PolarHBondContact O-N 3.27Å
161R92Very high97.4Very high180 Ų18029.5 Ų29.568%0.67915%0.147SC*.THydrogen-bonded Turntrans49.640.1-175.3-59.5172.965.1108.3-6.7113I163R161-I163 PolarHBondContact O-N 2.86Å
162H95.4Very high97.4Very high105 Ų10528.7 Ų28.749%0.48614%0.143SC..THydrogen-bonded Turntrans66.25.5-176-49.2-82.7000116.8L105 R106 G160L105-H162 PolarHBondContact N-O 3.44Å; R106-H162 HydrophobicContact CG-CB 3.79Å; G160-H162 PolarHBondContact O-N 3.13Å
163I97Very high97.4Very high4 Ų430.2 Ų30.22%0.02115%0.154CC..EExtended strand (participates in β ladder)trans-102.8129.3178.9-57.9158.4000109.4L27 L30 Q31 V102 L103 D104 C159 G160 R161L27-I163 HydrophobicContact CD2-CB 4.49Å; L27-I163 HydrophobicContact CD2-CG2 3.71Å; L30-I163 HydrophobicContact CB-CD1 3.64Å; L30-I163 HydrophobicContact CB-CG1 4.15Å; L30-I163 HydrophobicContact CB-CG2 4.08Å; L30-I163 HydrophobicContact CD1-CG2 3.72Å; L30-I163 WeakPolarHBondContact O-CD1 3.42Å; Q31-I163 HydrophobicContact CB-CD1 4.38Å; Q31-I163 HydrophobicContact CG-CD1 3.5Å; V102-I163 HydrophobicContact CG1-CG2 4.38Å; L103-I163 CarbonylContact O-C 3.53Å; L103-I163 VanDerWaalsContact O-CA 3.24Å; L103-I163 WeakPolarHBondContact O-CA 3.48Å; D104-I163 HydrophobicContact CB-CG1 4.26Å; C159-I163 WeakPolarHBondContact CA-O 3.32Å; G160-I163 PolarHBondContact N-O 2.76Å; G160-I163 PolarHBondContact O-N 3.27Å; R161-I163 PolarHBondContact O-N 2.86Å
164T98.2Very high97.4Very high0 Ų030.5 Ų30.50%016%0.156CC..EExtended strand (participates in β ladder)trans-89.5156.3-178.756.40000112.8P101 V102 L103 L105 R158 C159P101-T164 PolarHBondContact O-OG1 3.31Å; V102-T164 WeakPolarHBondContact CA-O 3.43Å; V102-T164 WeakPolarHBondContact CG1-O 3.45Å; L103-T164 PolarHBondContact N-OG1 2.77Å; L103-T164 PolarHBondContact O-N 2.97Å; L103-T164 PolarHBondContact O-OG1 3.36Å; L105-T164 HydrophobicContact CD1-CG2 3.7Å; L105-T164 HydrophobicContact CD2-CG2 3.75Å; L105-T164 HydrophobicContact CG-CG2 3.73Å; R158-T164 CarbonylContact O-C 3.59Å; R158-T164 VanDerWaalsContact O-CA 3.25Å; R158-T164 WeakPolarHBondContact O-CA 3.37Å; C159-T164 HydrophobicContact CB-CG2 4.39Å
165S98Very high97.4Very high5 Ų533.4 Ų33.44%0.03517%0.169CC..EExtended strand (participates in β ladder)trans-146.9171.5160.765.70000110.3R158R158-S165 PolarHBondContact N-O 2.89Å; R158-S165 PolarHBondContact O-N 3.25Å
166H98.2Very high97.4Very high11 Ų1133.8 Ų33.85%0.05117%0.171CC..EExtended strand (participates in β ladder)trans59.9-153.5-164.3-51.3-85.3000110.5Q23 R85 H100 P101 G156Q23-H166 VanDerWaalsContact OE1-CA 3.32Å; R85-H166 HydrophobicContact CB-CB 3.95Å; H100-H166 VanDerWaalsContact CA-O 3.26Å; H100-H166 WeakPolarHBondContact CA-O 3.42Å; P101-H166 WeakPolarHBondContact CD-O 3.33Å; G156-H166 WeakPolarHBondContact O-CB 3.49Å
167G98.3Very high97.5Very high4 Ų436.5 Ų36.54%0.04119%0.186CC..EExtended strand (participates in β ladder)trans163.1-126.8-173.900000113.2C99 I155 G156C99-G167 WeakPolarHBondContact O-CA 3.3Å; I155-G167 WeakPolarHBondContact CA-O 3.34Å; G156-G167 PolarHBondContact N-O 2.96Å; G156-G167 PolarHBondContact O-N 3.23Å; G156-G167 VanDerWaalsContact O-N 3.13Å
168L98.6Very high97.5Very high2 Ų238 Ų381%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-118154.7-177.87377.5000112.3C99 L119 A123 A154 I155 L170 F212C99-L168 HydrophobicContact CB-CD1 3.7Å; C99-L168 HydrophobicContact CB-CD2 4.46Å; C99-L168 HydrophobicContact CB-CG 3.75Å; C99-L168 PolarHBondContact N-O 3.02Å; C99-L168 PolarHBondContact O-N 2.9Å; L119-L168 HydrophobicContact CB-CD2 4.13Å; L119-L168 HydrophobicContact CD2-CD2 3.85Å; L119-L168 HydrophobicContact CD2-CG 4.44Å; A123-L168 HydrophobicContact CB-CD2 4.45Å; A154-L168 CarbonylContact O-C 3.6Å; A154-L168 VanDerWaalsContact O-CA 3.26Å; A154-L168 WeakPolarHBondContact O-CA 3.41Å; I155-L168 HydrophobicContact CG1-CB 3.74Å; L168-L170 HydrophobicContact CD1-CB 4.27Å; L168-F212 HydrophobicContact CD1-CE2 4.4Å; L168-F212 HydrophobicContact CD1-CZ 4.44Å; L168-F212 HydrophobicContact CD2-CE2 4.02Å; L168-F212 HydrophobicContact CD2-CZ 4.01Å
169A98.8Very high97.4Very high4 Ų432.1 Ų32.13%0.03317%0.168CC..EExtended strand (participates in β ladder)trans-132.6105.1176.200000108.4Q96 L97 L98 C153 A154Q96-A169 HydrophobicContact CG-CB 4.33Å; L97-A169 CarbonylContact O-C 3.56Å; L97-A169 WeakPolarHBondContact O-CA 3.44Å; L98-A169 HydrophobicContact CD2-CB 3.51Å; C153-A169 CarbonylContact C-O 3.53Å; C153-A169 WeakPolarHBondContact CA-O 3.36Å; C153-A169 PolarHBondContact SG-O 2.93Å; A154-A169 PolarHBondContact N-O 3.45Å; A154-A169 PolarHBondContact O-N 3.23Å
170L98.8Very high97.3Very high0 Ų037.2 Ų37.20%019%0.187CC..EExtended strand (participates in β ladder)trans-100.2126.4-179.1-179.486000110.3Q96 L97 A123 L126 I152 C153 L168 C172 L195Q96-L170 WeakPolarHBondContact CA-O 3.46Å; Q96-L170 VanDerWaalsContact CG-O 3.31Å; Q96-L170 WeakPolarHBondContact CG-O 3.4Å; L97-L170 HydrophobicContact CB-CB 4.33Å; L97-L170 HydrophobicContact CD2-CD2 4.38Å; L97-L170 PolarHBondContact N-O 2.85Å; L97-L170 PolarHBondContact O-N 3.18Å; A123-L170 HydrophobicContact CB-CD1 4.45Å; L126-L170 HydrophobicContact CD2-CD2 3.27Å; L126-L170 HydrophobicContact CG-CD2 4.37Å; I152-L170 HydrophobicContact CG1-CD1 4.29Å; C153-L170 HydrophobicContact CB-CD1 3.76Å; L168-L170 HydrophobicContact CD1-CB 4.27Å; L170-C172 PolarHBondContact O-N 3.02Å; L170-L195 HydrophobicContact CD2-CD1 4.01Å
171N98.8Very high97.2Very high5 Ų538.7 Ų38.73%0.02719%0.185CC..EExtended strand (participates in β ladder)trans-78110.9178.1-65.5-32.5000110.8Q96 I152 T174 L176 T193 S194 L195Q96-N171 PolarHBondContact NE2-OD1 3.25Å; I152-N171 PolarHBondContact O-N 3.25Å; N171-T174 VanDerWaalsContact CA-OG1 3.24Å; N171-T174 WeakPolarHBondContact CA-OG1 3.34Å; N171-T174 PolarHBondContact OD1-OG1 3.33Å; N171-L176 HydrophobicContact CB-CD2 4.39Å; N171-T193 WeakPolarHBondContact CB-O 3.3Å; N171-T193 PolarHBondContact ND2-O 3Å; N171-S194 CarbonylContact O-C 3.57Å; N171-S194 VanDerWaalsContact O-CA 3.26Å; N171-S194 WeakPolarHBondContact O-CA 3.43Å; N171-L195 PolarHBondContact O-N 3.14Å
172C98.8Very high97Very high0 Ų030.9 Ų30.90%016%0.156CC..SBendtrans-95.4-76.7178.2-50.40000109.4G95 L170 S194 L195 S196 V203 V205 V208G95-C172 CarbonylContact O-C 3.58Å; G95-C172 WeakPolarHBondContact O-CA 3.41Å; G95-C172 WeakPolarHBondContact O-CB 3.4Å; G95-C172 PolarHBondContact O-N 2.99Å; L170-C172 PolarHBondContact O-N 3.02Å; C172-S194 WeakPolarHBondContact O-CB 3.47Å; C172-L195 HydrophobicContact CB-CD1 4.45Å; C172-L195 PolarHBondContact O-N 3.48Å; C172-S196 WeakPolarHBondContact O-CB 3.25Å; C172-S196 PolarHBondContact O-N 2.99Å; C172-S196 PolarHBondContact O-OG 2.79Å; C172-V203 CarbonylContact C-O 3.58Å; C172-V203 VanDerWaalsContact C-O 3.23Å; C172-V203 WeakPolarHBondContact CB-O 3.08Å; C172-V205 HydrophobicContact CB-CG2 4.31Å; C172-V208 VanDerWaalsContact SG-CG2 3.56Å
173S98.7Very high96.4Very high32 Ų3229.8 Ų29.822%0.22416%0.157CC..SBendtrans-11418.7172.455.80000112.4G95 D175 S196 H202 V203G95-S173 WeakPolarHBondContact CA-OG 3.35Å; G95-S173 PolarHBondContact O-N 2.91Å; S173-D175 PolarHBondContact O-N 3.22Å; S173-S196 VanDerWaalsContact CA-OG 3.28Å; S173-S196 WeakPolarHBondContact CA-OG 3.15Å; S173-S196 WeakPolarHBondContact CB-OG 3.39Å; S173-H202 VanDerWaalsContact CB-CE1 3.42Å; S173-H202 WeakPolarHBondContact CB-CE1 3.38Å; S173-V203 VanDerWaalsContact CB-O 3.32Å; S173-V203 WeakPolarHBondContact CB-O 3.43Å; S173-V203 PolarHBondContact N-O 3.34Å
174T98.6Very high95.4Very high6 Ų630.7 Ų30.74%0.03716%0.163CC..  trans-50.2132.8-179.7-43.30000112.1F91 G95 Q96 N171 L176 F179F91-T174 HydrophobicContact CD1-CG2 4.42Å; F91-T174 HydrophobicContact CE1-CG2 3.86Å; G95-T174 PolarHBondContact O-N 3.31Å; G95-T174 PolarHBondContact O-OG1 3.06Å; G95-T174 VanDerWaalsContact O-OG1 3.13Å; Q96-T174 WeakPolarHBondContact CA-OG1 3.25Å; Q96-T174 HydrophobicContact CB-CG2 4.2Å; Q96-T174 WeakPolarHBondContact CB-OG1 3.41Å; N171-T174 VanDerWaalsContact CA-OG1 3.24Å; N171-T174 WeakPolarHBondContact CA-OG1 3.34Å; N171-T174 PolarHBondContact OD1-OG1 3.33Å; T174-L176 PolarHBondContact O-N 3.05Å; T174-L176 VanDerWaalsContact O-N 3.11Å; T174-F179 HydrophobicContact CG2-CE2 4.41Å
175D98.3Very high94.2Very high78 Ų7832.4 Ų32.442%0.41718%0.175SC..  trans-66.4107.2166178.53.9000109.5S173 T177 W178S173-D175 PolarHBondContact O-N 3.22Å; D175-T177 VanDerWaalsContact C-N 3.28Å; D175-T177 VanDerWaalsContact CG-OG1 3.26Å; D175-T177 PolarHBondContact O-N 3.08Å; D175-T177 WeakPolarHBondContact OD1-CB 3.33Å; D175-T177 WeakPolarHBondContact OD1-CG2 3.44Å; D175-T177 PolarHBondContact OD1-N 2.81Å; D175-T177 PolarHBondContact OD1-OG1 3.16Å; D175-T177 PolarHBondContact OD2-OG1 3.44Å; D175-W178 PolarHBondContact OD2-NE1 3.44Å
176L98Very high93Very high29 Ų2934.1 Ų34.115%0.15219%0.193CC..G310 helixtrans-77.1-14.6-174.2-61.6178.7000113N171 T174 W178 F179 V192 K197N171-L176 HydrophobicContact CB-CD2 4.39Å; T174-L176 PolarHBondContact O-N 3.05Å; T174-L176 VanDerWaalsContact O-N 3.11Å; L176-W178 PolarHBondContact O-N 3.43Å; L176-F179 HydrophobicContact CD2-CD2 4.16Å; L176-F179 HydrophobicContact CD2-CE2 4.14Å; L176-F179 WeakPolarHBondContact O-CB 3.29Å; L176-F179 PolarHBondContact O-N 3.28Å; L176-V192 HydrophobicContact CB-CG2 4.27Å; L176-V192 HydrophobicContact CD2-CG2 4.1Å; L176-K197 HydrophobicContact CD1-CD 3.76Å
177T97.1Very high92Very high67 Ų6734.6 Ų34.641%0.41120%0.196SC..G310 helixtrans-62.7-27.5-179.764.80000111.7D175 F179 E180D175-T177 VanDerWaalsContact C-N 3.28Å; D175-T177 VanDerWaalsContact CG-OG1 3.26Å; D175-T177 PolarHBondContact O-N 3.08Å; D175-T177 WeakPolarHBondContact OD1-CB 3.33Å; D175-T177 WeakPolarHBondContact OD1-CG2 3.44Å; D175-T177 PolarHBondContact OD1-N 2.81Å; D175-T177 PolarHBondContact OD1-OG1 3.16Å; D175-T177 PolarHBondContact OD2-OG1 3.44Å; T177-F179 PolarHBondContact O-N 3.3Å; T177-E180 VanDerWaalsContact O-CB 3.25Å; T177-E180 WeakPolarHBondContact O-CB 3.39Å; T177-E180 WeakPolarHBondContact O-CG 3.47Å; T177-E180 PolarHBondContact O-N 3Å
178W97.4Very high91Very high51 Ų5140.7 Ų40.719%0.19323%0.232CC..G310 helixtrans-60.4-29.3172.8-70.894.7000113.3P55 Y57 L76 A78 F91 D175 L176 E180 H181P55-W178 HydrophobicContact CB-CD2 4.03Å; P55-W178 HydrophobicContact CB-CE3 4.01Å; P55-W178 HydrophobicContact CB-CH2 3.85Å; P55-W178 HydrophobicContact CB-CZ2 3.82Å; P55-W178 HydrophobicContact CB-CZ3 3.95Å; P55-W178 HydrophobicContact CG-CH2 3.84Å; P55-W178 HydrophobicContact CG-CZ2 3.87Å; P55-W178 HydrophobicContact CG-CZ3 4.36Å; Y57-W178 AromaticContact CE2-CE3 3.85Å; Y57-W178 HydrophobicContact CE2-CE3 3.85Å; Y57-W178 HydrophobicContact CE2-CZ3 4.24Å; Y57-W178 AromaticContact CZ-CE3 3.99Å; Y57-W178 PolarHBondContact OH-O 3.43Å; L76-W178 HydrophobicContact CB-CH2 4.44Å; L76-W178 HydrophobicContact CB-CZ3 4.21Å; A78-W178 HydrophobicContact CB-CZ3 3.9Å; F91-W178 HydrophobicContact CD1-CB 3.67Å; F91-W178 HydrophobicContact CD1-CG 4.48Å; F91-W178 HydrophobicContact CD2-CB 3.62Å; F91-W178 HydrophobicContact CD2-CD2 4.5Å; F91-W178 HydrophobicContact CD2-CG 4.12Å; F91-W178 HydrophobicContact CE1-CB 3.48Å; F91-W178 VanDerWaalsContact CE1-CB 3.48Å; F91-W178 AromaticContact CE1-CG 3.85Å; F91-W178 HydrophobicContact CE1-CG 3.85Å; F91-W178 HydrophobicContact CE2-CB 3.41Å; F91-W178 VanDerWaalsContact CE2-CB 3.41Å; F91-W178 AromaticContact CE2-CD2 3.7Å; F91-W178 HydrophobicContact CE2-CD2 3.7Å; F91-W178 HydrophobicContact CE2-CE3 4Å; F91-W178 AromaticContact CE2-CG 3.41Å; F91-W178 HydrophobicContact CE2-CG 3.41Å; F91-W178 VanDerWaalsContact CE2-CG 3.41Å; F91-W178 HydrophobicContact CG-CB 3.73Å; F91-W178 HydrophobicContact CZ-CB 3.33Å; F91-W178 AromaticContact CZ-CD1 3.51Å; F91-W178 AromaticContact CZ-CD2 3.92Å; F91-W178 HydrophobicContact CZ-CD2 3.92Å; F91-W178 AromaticContact CZ-CG 3.25Å; F91-W178 HydrophobicContact CZ-CG 3.25Å; D175-W178 PolarHBondContact OD2-NE1 3.44Å; L176-W178 PolarHBondContact O-N 3.43Å; W178-E180 PolarHBondContact O-N 2.95Å; W178-H181 PolarHBondContact O-N 3.31Å
179F95.8Very high90Very high12 Ų1244 Ų445%0.05327%0.267CS..G310 helixtrans-70.7-20.1176.1-72.7-85000112.9F91 T174 L176 T177 H181 I182 P184 V192F91-F179 HydrophobicContact CB-CD1 4.07Å; F91-F179 HydrophobicContact CB-CE1 3.88Å; F91-F179 HydrophobicContact CB-CE2 4.48Å; F91-F179 HydrophobicContact CB-CG 4.46Å; F91-F179 HydrophobicContact CB-CZ 4.11Å; F91-F179 HydrophobicContact CD1-CD2 4.05Å; F91-F179 AromaticContact CD1-CE2 3.69Å; F91-F179 HydrophobicContact CD1-CE2 3.69Å; F91-F179 AromaticContact CD1-CZ 3.96Å; F91-F179 HydrophobicContact CD1-CZ 3.96Å; T174-F179 HydrophobicContact CG2-CE2 4.41Å; L176-F179 HydrophobicContact CD2-CD2 4.16Å; L176-F179 HydrophobicContact CD2-CE2 4.14Å; L176-F179 WeakPolarHBondContact O-CB 3.29Å; L176-F179 PolarHBondContact O-N 3.28Å; T177-F179 PolarHBondContact O-N 3.3Å; F179-H181 PolarHBondContact O-N 2.94Å; F179-I182 PolarHBondContact O-N 3.3Å; F179-P184 HydrophobicContact CD1-CB 4.05Å; F179-P184 HydrophobicContact CD1-CG 4.4Å; F179-V192 HydrophobicContact CB-CG1 4.27Å; F179-V192 HydrophobicContact CB-CG2 3.64Å; F179-V192 HydrophobicContact CD1-CG1 3.85Å; F179-V192 HydrophobicContact CD2-CB 4.32Å; F179-V192 HydrophobicContact CD2-CG1 4.37Å; F179-V192 HydrophobicContact CD2-CG2 3.75Å; F179-V192 HydrophobicContact CE1-CG1 4.22Å; F179-V192 HydrophobicContact CG-CB 4.28Å; F179-V192 HydrophobicContact CG-CG1 3.92Å; F179-V192 HydrophobicContact CG-CG2 3.73Å
180E93.3Very high89.4Confident155 Ų15545.5 Ų45.572%0.72428%0.275SS*.G310 helixtrans-69.6-17.5178.6-57.1175.3-170.800112.3T177 W178 I182T177-E180 VanDerWaalsContact O-CB 3.25Å; T177-E180 WeakPolarHBondContact O-CB 3.39Å; T177-E180 WeakPolarHBondContact O-CG 3.47Å; T177-E180 PolarHBondContact O-N 3Å; W178-E180 PolarHBondContact O-N 2.95Å; E180-I182 VanDerWaalsContact C-N 3.32Å
181H92.5Very high89.2Confident63 Ų6346.8 Ų46.829%0.29229%0.289SS..G310 helixtrans-85.6-0.2178.2-61.7-50.5000114Y57 R72 L73 W178 F179Y57-H181 WeakPolarHBondContact OH-CB 3.25Å; R72-H181 PolarHBondContact NH1-ND1 3.05Å; R72-H181 PolarHBondContact NH2-O 3.43Å; L73-H181 HydrophobicContact CD2-CB 3.7Å; W178-H181 PolarHBondContact O-N 3.31Å; F179-H181 PolarHBondContact O-N 2.94Å
182I88.9Confident89.1Confident15 Ų1547.9 Ų47.98%0.07730%0.296CS..SBendtrans-139.4166.5178.158.5166.6000110.2Y57 L65 L73 F91 F179 E180 P184Y57-I182 HydrophobicContact CD1-CD1 4.04Å; Y57-I182 HydrophobicContact CD1-CG2 3.7Å; Y57-I182 HydrophobicContact CE1-CB 4.41Å; Y57-I182 HydrophobicContact CE1-CD1 3.97Å; Y57-I182 HydrophobicContact CE1-CG1 4.07Å; Y57-I182 HydrophobicContact CE1-CG2 3.5Å; Y57-I182 VanDerWaalsContact CE1-CG2 3.5Å; L65-I182 HydrophobicContact CD2-CG2 3.91Å; L73-I182 HydrophobicContact CD1-CG2 4.04Å; F91-I182 HydrophobicContact CB-CD1 4.41Å; F179-I182 PolarHBondContact O-N 3.3Å; E180-I182 VanDerWaalsContact C-N 3.32Å; I182-P184 HydrophobicContact CD1-CB 4.18Å; I182-P184 HydrophobicContact CG1-CB 4.48Å; I182-P184 WeakPolarHBondContact O-CD 3.41Å
183V82.5Confident89.1Confident83 Ų8347.9 Ų47.950%0.50330%0.296SS..  trans-9592.6161.3-175.60000107.7C185 G186 V188V183-C185 PolarHBondContact O-N 3.47Å; V183-G186 PolarHBondContact O-N 3.29Å; V183-G186 VanDerWaalsContact O-N 3.13Å; V183-V188 HydrophobicContact CG1-CG2 4.28Å
184P76.2Confident89.1Confident23 Ų2346.6 Ų46.615%0.14929%0.287CS..G310 helixtrans-63.2130.3-171.525.6-33.4000110.6F179 I182 G186 L187 V192F179-P184 HydrophobicContact CD1-CB 4.05Å; F179-P184 HydrophobicContact CD1-CG 4.4Å; I182-P184 HydrophobicContact CD1-CB 4.18Å; I182-P184 HydrophobicContact CG1-CB 4.48Å; I182-P184 WeakPolarHBondContact O-CD 3.41Å; P184-G186 PolarHBondContact O-N 2.8Å; P184-L187 PolarHBondContact O-N 3.33Å; P184-V192 HydrophobicContact CG-CG1 4.36Å
185C72.2Confident89.1Confident36 Ų3646.3 Ų46.324%0.24329%0.285CS..G310 helixtrans56.612.3-178.2-59.30000115.3L88 A89 K151 V183 L187L88-C185 WeakPolarHBondContact CD1-O 3.46Å; A89-C185 PolarHBondContact O-N 3.4Å; A89-C185 VanDerWaalsContact O-N 3.14Å; K151-C185 PolarHBondContact NZ-SG 2.67Å; V183-C185 PolarHBondContact O-N 3.47Å; C185-L187 HydrophobicContact CB-CD1 4.1Å; C185-L187 HydrophobicContact CB-CG 4.2Å; C185-L187 PolarHBondContact O-N 2.97Å
186G72.5Confident89.1Confident40 Ų4043.5 Ų43.541%0.41227%0.272SS..G310 helixtrans67.514.8-176.700000115.1V183 P184 V188V183-G186 PolarHBondContact O-N 3.29Å; V183-G186 VanDerWaalsContact O-N 3.13Å; P184-G186 PolarHBondContact O-N 2.8Å; G186-V188 PolarHBondContact O-N 3.13Å
187L77.3Confident89.1Confident22 Ų2247.1 Ų47.112%0.11529%0.286CS..  trans-95.388.2-174.7-63.9173.1000110.6P141 Y142 W146 P184 C185 T190P141-L187 HydrophobicContact CB-CD2 4.37Å; P141-L187 HydrophobicContact CG-CD2 4.03Å; Y142-L187 HydrophobicContact CD1-CD1 3.82Å; Y142-L187 HydrophobicContact CD1-CD2 4.21Å; Y142-L187 HydrophobicContact CE1-CD1 4.31Å; Y142-L187 HydrophobicContact CE1-CD2 4.02Å; W146-L187 HydrophobicContact CH2-CD1 3.68Å; W146-L187 HydrophobicContact CZ2-CD1 3.84Å; P184-L187 PolarHBondContact O-N 3.33Å; C185-L187 HydrophobicContact CB-CD1 4.1Å; C185-L187 HydrophobicContact CB-CG 4.2Å; C185-L187 PolarHBondContact O-N 2.97Å; L187-T190 HydrophobicContact CB-CG2 4.13Å; L187-T190 VanDerWaalsContact CB-OG1 3.3Å; L187-T190 WeakPolarHBondContact CB-OG1 3.44Å; L187-T190 PolarHBondContact O-N 3.3Å; L187-T190 PolarHBondContact O-OG1 3.38Å
188V77.4Confident89.2Confident132 Ų13246.4 Ų46.480%0.828%0.278SS*.THydrogen-bonded Turntrans-62.7139.7175.9-1760000110.2V183 G186 T190V183-V188 HydrophobicContact CG1-CG2 4.28Å; G186-V188 PolarHBondContact O-N 3.13Å; V188-T190 VanDerWaalsContact C-N 3.31Å; V188-T190 PolarHBondContact O-N 3.29Å
189G78Confident89.2Confident72 Ų7246 Ų4674%0.74228%0.28SS*.THydrogen-bonded Turntrans77.113.8178.900000114.5
190T86.8Confident89.4Confident34 Ų3453.5 Ų53.521%0.20931%0.314CS..  trans-113.1145.6171.765.50000111.2Y142 W146 L187 V188Y142-T190 HydrophobicContact CE1-CG2 4.18Å; W146-T190 HydrophobicContact CH2-CG2 4.18Å; W146-T190 HydrophobicContact CZ3-CG2 4.1Å; L187-T190 HydrophobicContact CB-CG2 4.13Å; L187-T190 VanDerWaalsContact CB-OG1 3.3Å; L187-T190 WeakPolarHBondContact CB-OG1 3.44Å; L187-T190 PolarHBondContact O-N 3.3Å; L187-T190 PolarHBondContact O-OG1 3.38Å; V188-T190 VanDerWaalsContact C-N 3.31Å; V188-T190 PolarHBondContact O-N 3.29Å
191G93.8Very high89.6Confident28 Ų2851.1 Ų51.129%0.28930%0.299SS..EExtended strand (participates in β ladder)trans-96.6175.1178.600000113D149 R150 K151D149-G191 PolarHBondContact O-N 3.26Å; R150-G191 CarbonylContact C-O 3.52Å; R150-G191 WeakPolarHBondContact CA-O 3.24Å; K151-G191 PolarHBondContact N-O 2.98Å
192V97.3Very high89.9Confident27 Ų2754.4 Ų54.416%0.16431%0.314CS..EExtended strand (participates in β ladder)trans-119.2153.2163.7-65.60000109.8K151 L176 F179 P184K151-V192 CarbonylContact O-C 3.56Å; K151-V192 WeakPolarHBondContact O-CA 3.47Å; L176-V192 HydrophobicContact CB-CG2 4.27Å; L176-V192 HydrophobicContact CD2-CG2 4.1Å; F179-V192 HydrophobicContact CB-CG1 4.27Å; F179-V192 HydrophobicContact CB-CG2 3.64Å; F179-V192 HydrophobicContact CD1-CG1 3.85Å; F179-V192 HydrophobicContact CD2-CB 4.32Å; F179-V192 HydrophobicContact CD2-CG1 4.37Å; F179-V192 HydrophobicContact CD2-CG2 3.75Å; F179-V192 HydrophobicContact CE1-CG1 4.22Å; F179-V192 HydrophobicContact CG-CB 4.28Å; F179-V192 HydrophobicContact CG-CG1 3.92Å; F179-V192 HydrophobicContact CG-CG2 3.73Å; P184-V192 HydrophobicContact CG-CG1 4.36Å
193T98.3Very high90.3Very high0 Ų053.7 Ų53.70%031%0.311CS..  trans-141.8177.7174.1-160.70000111.3L147 R150 K151 I152 N171 E198L147-T193 HydrophobicContact CD1-CG2 4.26Å; R150-T193 HydrophobicContact CB-CG2 3.95Å; K151-T193 PolarHBondContact O-N 3.35Å; I152-T193 HydrophobicContact CB-CG2 3.8Å; I152-T193 HydrophobicContact CD1-CG2 4.34Å; I152-T193 HydrophobicContact CG1-CG2 4.14Å; N171-T193 WeakPolarHBondContact CB-O 3.3Å; N171-T193 PolarHBondContact ND2-O 3Å; T193-E198 WeakPolarHBondContact CB-OE1 3.45Å; T193-E198 HydrophobicContact CG2-CG 3.82Å; T193-E198 WeakPolarHBondContact CG2-OE1 3.35Å; T193-E198 VanDerWaalsContact OG1-CD 3.31Å; T193-E198 VanDerWaalsContact OG1-CG 3.3Å; T193-E198 WeakPolarHBondContact OG1-CG 3.35Å; T193-E198 PolarHBondContact OG1-OE1 2.89Å
194S98.8Very high91.1Very high6 Ų652 Ų524%0.04230%0.3CS..  trans-141159.6178.169.60000110.6N171 C172 S196 K197 E198N171-S194 CarbonylContact O-C 3.57Å; N171-S194 VanDerWaalsContact O-CA 3.26Å; N171-S194 WeakPolarHBondContact O-CA 3.43Å; C172-S194 WeakPolarHBondContact O-CB 3.47Å; S194-S196 PolarHBondContact O-N 3.29Å; S194-K197 PolarHBondContact O-N 2.84Å; S194-K197 WeakPolarHBondContact OG-CB 3.4Å; S194-K197 PolarHBondContact OG-N 3Å; S194-K197 VanDerWaalsContact OG-N 3.14Å; S194-E198 WeakPolarHBondContact O-CG 3.25Å; S194-E198 PolarHBondContact O-N 3.15Å
195L98.8Very high92.1Very high0 Ų051 Ų510%029%0.294CS..Hα-helixtrans-55.3-41.6173.5-67.9173.1000111.1Q130 L132 I152 L170 N171 C172 K197 E198 L199 V203 V208Q130-L195 HydrophobicContact CB-CD2 4.31Å; Q130-L195 HydrophobicContact CG-CD1 4.47Å; Q130-L195 HydrophobicContact CG-CD2 4.39Å; L132-L195 HydrophobicContact CD1-CD2 3.56Å; I152-L195 HydrophobicContact CD1-CD2 3.75Å; I152-L195 HydrophobicContact CD1-CG 4.09Å; L170-L195 HydrophobicContact CD2-CD1 4.01Å; N171-L195 PolarHBondContact O-N 3.14Å; C172-L195 HydrophobicContact CB-CD1 4.45Å; C172-L195 PolarHBondContact O-N 3.48Å; L195-K197 VanDerWaalsContact C-N 3.34Å; L195-K197 PolarHBondContact O-N 2.73Å; L195-E198 PolarHBondContact O-N 2.96Å; L195-L199 HydrophobicContact CB-CD1 4.45Å; L195-L199 VanDerWaalsContact O-CB 3.25Å; L195-L199 WeakPolarHBondContact O-CB 3.45Å; L195-L199 WeakPolarHBondContact O-CG 3.37Å; L195-L199 PolarHBondContact O-N 2.95Å; L195-V203 HydrophobicContact CB-CB 3.97Å; L195-V203 HydrophobicContact CB-CG1 3.9Å; L195-V203 HydrophobicContact CB-CG2 4.14Å; L195-V203 HydrophobicContact CD1-CG1 3.97Å; L195-V208 HydrophobicContact CD1-CG1 3.54Å
196S98.8Very high93.4Very high19 Ų1955 Ų5513%0.13331%0.313CS..Hα-helixtrans-63.9-39.9-179.6-59.80000112.6C172 S173 S194 Q200 R201 V203C172-S196 WeakPolarHBondContact O-CB 3.25Å; C172-S196 PolarHBondContact O-N 2.99Å; C172-S196 PolarHBondContact O-OG 2.79Å; S173-S196 VanDerWaalsContact CA-OG 3.28Å; S173-S196 WeakPolarHBondContact CA-OG 3.15Å; S173-S196 WeakPolarHBondContact CB-OG 3.39Å; S194-S196 PolarHBondContact O-N 3.29Å; S196-Q200 PolarHBondContact O-N 2.78Å; S196-Q200 VanDerWaalsContact O-N 3.08Å; S196-R201 CarbonylContact C-O 3.58Å; S196-R201 WeakPolarHBondContact CA-O 3.37Å; S196-R201 WeakPolarHBondContact CB-O 3.26Å; S196-R201 PolarHBondContact O-N 2.91Å; S196-R201 PolarHBondContact OG-O 2.86Å; S196-V203 PolarHBondContact OG-N 3.14Å; S196-V203 PolarHBondContact OG-O 2.85Å
197K98.5Very high94.6Very high105 Ų10556.6 Ų56.646%0.45731%0.309SS..Hα-helixtrans-68.4-43.8177.4-179.6172.7175.9178.90111.5L176 S194 L195 Q200L176-K197 HydrophobicContact CD1-CD 3.76Å; S194-K197 PolarHBondContact O-N 2.84Å; S194-K197 WeakPolarHBondContact OG-CB 3.4Å; S194-K197 PolarHBondContact OG-N 3Å; S194-K197 VanDerWaalsContact OG-N 3.14Å; L195-K197 VanDerWaalsContact C-N 3.34Å; L195-K197 PolarHBondContact O-N 2.73Å; K197-Q200 PolarHBondContact O-NE2 3.4Å
198E98.5Very high95.5Very high52 Ų5255.5 Ų55.524%0.24330%0.304CS..Hα-helixtrans-76.1-31.7-176.2-59.9-71.7154.800112L132 L147 R150 T193 S194 L195L132-E198 HydrophobicContact CD1-CB 3.96Å; L132-E198 HydrophobicContact CD2-CB 3.81Å; L147-E198 HydrophobicContact CD1-CB 4.21Å; L147-E198 HydrophobicContact CD1-CG 3.55Å; R150-E198 IonicContact CZ-OE1 3.98Å; R150-E198 IonicContact NE-OE1 3.71Å; R150-E198 PolarHBondContact NE-OE1 2.84Å; R150-E198 IonicContact NH2-OE1 2.68Å; R150-E198 IonicContact NH2-OE2 3.2Å; R150-E198 PolarHBondContact NH2-OE2 3.07Å; T193-E198 WeakPolarHBondContact CB-OE1 3.45Å; T193-E198 HydrophobicContact CG2-CG 3.82Å; T193-E198 WeakPolarHBondContact CG2-OE1 3.35Å; T193-E198 VanDerWaalsContact OG1-CD 3.31Å; T193-E198 VanDerWaalsContact OG1-CG 3.3Å; T193-E198 WeakPolarHBondContact OG1-CG 3.35Å; T193-E198 PolarHBondContact OG1-OE1 2.89Å; S194-E198 WeakPolarHBondContact O-CG 3.25Å; S194-E198 PolarHBondContact O-N 3.15Å; L195-E198 PolarHBondContact O-N 2.96Å
199L98.1Very high96.5Very high43 Ų4349.7 Ų49.723%0.22527%0.268CS..Hα-helixtrans-92.4-1.9179.6-63.3169.3000114.1Q130 L132 L195 R201 V203Q130-L199 HydrophobicContact CB-CD1 4.06Å; Q130-L199 WeakPolarHBondContact O-CD2 3.42Å; L132-L199 HydrophobicContact CD1-CG 4.39Å; L132-L199 HydrophobicContact CD2-CD2 3.68Å; L132-L199 HydrophobicContact CD2-CG 4.12Å; L132-L199 HydrophobicContact CG-CD2 4.02Å; L132-L199 HydrophobicContact CG-CG 4.3Å; L195-L199 HydrophobicContact CB-CD1 4.45Å; L195-L199 VanDerWaalsContact O-CB 3.25Å; L195-L199 WeakPolarHBondContact O-CB 3.45Å; L195-L199 WeakPolarHBondContact O-CG 3.37Å; L195-L199 PolarHBondContact O-N 2.95Å; L199-R201 HydrophobicContact CB-CG 4.08Å; L199-R201 PolarHBondContact O-N 3.48Å; L199-R201 VanDerWaalsContact O-N 3.17Å; L199-V203 HydrophobicContact CB-CG2 4.5Å; L199-V203 HydrophobicContact CD1-CG2 3.98Å
200Q98Very high97.4Very high168 Ų16849.8 Ų49.879%0.78526%0.255SS*.THydrogen-bonded Turntrans53.535.4179.9-60.2-68-57.300113.5S196 K197S196-Q200 PolarHBondContact O-N 2.78Å; S196-Q200 VanDerWaalsContact O-N 3.08Å; K197-Q200 PolarHBondContact O-NE2 3.4Å
201R98.1Very high97.9Very high105 Ų10549.3 Ų49.340%0.39625%0.253SS..SBendtrans-149.8162.2176.268.6177.8-177.286-2.6110.2S196 L199 V203 E207S196-R201 CarbonylContact C-O 3.58Å; S196-R201 WeakPolarHBondContact CA-O 3.37Å; S196-R201 WeakPolarHBondContact CB-O 3.26Å; S196-R201 PolarHBondContact O-N 2.91Å; S196-R201 PolarHBondContact OG-O 2.86Å; L199-R201 HydrophobicContact CB-CG 4.08Å; L199-R201 PolarHBondContact O-N 3.48Å; L199-R201 VanDerWaalsContact O-N 3.17Å; R201-V203 HydrophobicContact CG-CG2 3.95Å; R201-V203 PolarHBondContact O-N 2.86Å; R201-E207 IonicContact CZ-OE1 3Å; R201-E207 VanDerWaalsContact NH1-CD 3.3Å; R201-E207 IonicContact NH1-OE1 2.73Å; R201-E207 PolarHBondContact NH1-OE1 2.95Å; R201-E207 IonicContact NH1-OE2 2.98Å; R201-E207 PolarHBondContact NH1-OE2 3.49Å; R201-E207 IonicContact NH2-OE1 2.66Å; R201-E207 PolarHBondContact NH2-OE1 3.02Å
202H98.3Very high98.2Very high133 Ų13348 Ų4862%0.61624%0.24SC*.  trans-73.8120.6174-165.771.3000110.4S173S173-H202 VanDerWaalsContact CB-CE1 3.42Å; S173-H202 WeakPolarHBondContact CB-CE1 3.38Å
203V98.6Very high98.2Very high0 Ų047.3 Ų47.30%024%0.235CC..  trans-120.5111.5179.6-175.10000108.7C172 S173 L195 S196 L199 R201 V208C172-V203 CarbonylContact C-O 3.58Å; C172-V203 VanDerWaalsContact C-O 3.23Å; C172-V203 WeakPolarHBondContact CB-O 3.08Å; S173-V203 VanDerWaalsContact CB-O 3.32Å; S173-V203 WeakPolarHBondContact CB-O 3.43Å; S173-V203 PolarHBondContact N-O 3.34Å; L195-V203 HydrophobicContact CB-CB 3.97Å; L195-V203 HydrophobicContact CB-CG1 3.9Å; L195-V203 HydrophobicContact CB-CG2 4.14Å; L195-V203 HydrophobicContact CD1-CG1 3.97Å; S196-V203 PolarHBondContact OG-N 3.14Å; S196-V203 PolarHBondContact OG-O 2.85Å; L199-V203 HydrophobicContact CB-CG2 4.5Å; L199-V203 HydrophobicContact CD1-CG2 3.98Å; R201-V203 HydrophobicContact CG-CG2 3.95Å; R201-V203 PolarHBondContact O-N 2.86Å; V203-V208 HydrophobicContact CG1-CG1 3.6Å
204T98.6Very high98.1Very high47 Ų4750.1 Ų50.129%0.28825%0.252SS..  trans-88.4163.4-174.366.70000112.5D206 E207 V208T204-D206 VanDerWaalsContact C-N 3.28Å; T204-D206 PolarHBondContact O-N 2.6Å; T204-E207 PolarHBondContact O-N 3.1Å; T204-E207 WeakPolarHBondContact OG1-CB 3.16Å; T204-E207 PolarHBondContact OG1-N 3.44Å; T204-E207 VanDerWaalsContact OG1-N 3.14Å; T204-V208 PolarHBondContact O-N 3.45Å
205V98.6Very high98.1Very high2 Ų249.8 Ų49.81%0.01225%0.25CC..Hα-helixtrans-60.5-39.9171.5173.70000111.1E51 L97 C172 E207 V208 M209E51-V205 HydrophobicContact CB-CG1 4.43Å; E51-V205 HydrophobicContact CB-CG2 4.33Å; E51-V205 HydrophobicContact CG-CG2 4.05Å; E51-V205 WeakPolarHBondContact OE2-CB 3.46Å; E51-V205 WeakPolarHBondContact OE2-CG2 3.37Å; L97-V205 HydrophobicContact CB-CG1 4.1Å; L97-V205 HydrophobicContact CB-CG2 4.31Å; L97-V205 HydrophobicContact CD1-CG1 3.87Å; C172-V205 HydrophobicContact CB-CG2 4.31Å; V205-E207 PolarHBondContact O-N 2.87Å; V205-V208 VanDerWaalsContact O-CG2 3.27Å; V205-V208 WeakPolarHBondContact O-CG2 3.45Å; V205-V208 PolarHBondContact O-N 2.7Å; V205-M209 HydrophobicContact CG1-CE 3.85Å; V205-M209 WeakPolarHBondContact O-CB 3.42Å; V205-M209 PolarHBondContact O-N 3.47Å
206D97.8Very high98.1Very high121 Ų12149.8 Ų49.865%0.64725%0.25SC*.Hα-helixtrans-64.1-38.7178.9-70.7-28.5000112.7T204 V208 M209 P210T204-D206 VanDerWaalsContact C-N 3.28Å; T204-D206 PolarHBondContact O-N 2.6Å; D206-V208 VanDerWaalsContact C-N 3.34Å; D206-V208 PolarHBondContact O-N 3.1Å; D206-M209 PolarHBondContact O-N 3.2Å; D206-P210 WeakPolarHBondContact O-CD 3.42Å
207E97.6Very high98Very high72 Ų7253.2 Ų53.234%0.33626%0.262SS..Hα-helixtrans-62.1-41.6177.3-174.6-171.4150.800111.7R201 T204 V205 P211R201-E207 IonicContact CZ-OE1 3Å; R201-E207 VanDerWaalsContact NH1-CD 3.3Å; R201-E207 IonicContact NH1-OE1 2.73Å; R201-E207 PolarHBondContact NH1-OE1 2.95Å; R201-E207 IonicContact NH1-OE2 2.98Å; R201-E207 PolarHBondContact NH1-OE2 3.49Å; R201-E207 IonicContact NH2-OE1 2.66Å; R201-E207 PolarHBondContact NH2-OE1 3.02Å; T204-E207 PolarHBondContact O-N 3.1Å; T204-E207 WeakPolarHBondContact OG1-CB 3.16Å; T204-E207 PolarHBondContact OG1-N 3.44Å; T204-E207 VanDerWaalsContact OG1-N 3.14Å; V205-E207 PolarHBondContact O-N 2.87Å; E207-P211 WeakPolarHBondContact O-CD 3.29Å
208V97.8Very high97.9Very high0 Ų053.2 Ų53.20%026%0.264CS..Hα-helixtrans-86.3-13-175.5-56.80000113.2L97 L126 C172 L195 V203 T204 V205 D206 P211 F212L97-V208 HydrophobicContact CD2-CG2 4.17Å; L126-V208 HydrophobicContact CD1-CB 4.16Å; L126-V208 HydrophobicContact CD2-CB 4.18Å; C172-V208 VanDerWaalsContact SG-CG2 3.56Å; L195-V208 HydrophobicContact CD1-CG1 3.54Å; V203-V208 HydrophobicContact CG1-CG1 3.6Å; T204-V208 PolarHBondContact O-N 3.45Å; V205-V208 VanDerWaalsContact O-CG2 3.27Å; V205-V208 WeakPolarHBondContact O-CG2 3.45Å; V205-V208 PolarHBondContact O-N 2.7Å; D206-V208 VanDerWaalsContact C-N 3.34Å; D206-V208 PolarHBondContact O-N 3.1Å; V208-P211 VanDerWaalsContact O-CD 3.26Å; V208-P211 WeakPolarHBondContact O-CD 3.24Å; V208-P211 VanDerWaalsContact O-CG 3.31Å; V208-P211 WeakPolarHBondContact O-CG 3.16Å; V208-F212 VanDerWaalsContact O-CB 3.24Å; V208-F212 WeakPolarHBondContact O-CB 3.48Å; V208-F212 PolarHBondContact O-N 3.13Å
209M97.6Very high97.8Very high10 Ų1053.2 Ų53.25%0.04927%0.265CS..Hα-helixtrans-60.8-50.9-177.2-168.985.170.400112L49 L97 V205 D206 F212 L213L49-M209 HydrophobicContact CB-CE 4.2Å; L49-M209 HydrophobicContact CB-SD 3.73Å; L49-M209 HydrophobicContact CD1-CG 4.46Å; L49-M209 HydrophobicContact CD1-SD 3.37Å; L49-M209 WeakPolarHBondContact CD1-SD 3.18Å; L49-M209 HydrophobicContact CG-SD 4.11Å; L97-M209 HydrophobicContact CD1-CE 4.03Å; L97-M209 HydrophobicContact CD1-SD 3.96Å; V205-M209 HydrophobicContact CG1-CE 3.85Å; V205-M209 WeakPolarHBondContact O-CB 3.42Å; V205-M209 PolarHBondContact O-N 3.47Å; D206-M209 PolarHBondContact O-N 3.2Å; M209-F212 PolarHBondContact O-N 3.34Å; M209-L213 WeakPolarHBondContact O-CG 3.39Å; M209-L213 PolarHBondContact O-N 2.9Å; M209-L213 VanDerWaalsContact O-N 3.1Å
210P97.3Very high97.8Very high73 Ų7351.8 Ų51.847%0.47426%0.256SS..Hα-helixtrans-57.8-51.4176.9-21.933000114.8D206 F212 L213 V214D206-P210 WeakPolarHBondContact O-CD 3.42Å; P210-F212 VanDerWaalsContact C-N 3.29Å; P210-F212 PolarHBondContact O-N 3.11Å; P210-L213 PolarHBondContact O-N 2.81Å; P210-V214 PolarHBondContact O-N 3.25Å
211P97.9Very high97.7Very high25 Ų2550.9 Ų50.916%0.16225%0.25CS..Hα-helixtrans-65.6-31.4178.423.4-31.5000112.6L126 L129 E207 V208 L213 V214 A215L126-P211 HydrophobicContact CD1-CB 3.87Å; L126-P211 HydrophobicContact CD1-CG 3.73Å; L129-P211 HydrophobicContact CD1-CB 4.01Å; E207-P211 WeakPolarHBondContact O-CD 3.29Å; V208-P211 VanDerWaalsContact O-CD 3.26Å; V208-P211 WeakPolarHBondContact O-CD 3.24Å; V208-P211 VanDerWaalsContact O-CG 3.31Å; V208-P211 WeakPolarHBondContact O-CG 3.16Å; P211-L213 VanDerWaalsContact C-N 3.34Å; P211-L213 PolarHBondContact O-N 2.94Å; P211-V214 WeakPolarHBondContact O-CB 3.28Å; P211-V214 PolarHBondContact O-N 2.89Å; P211-A215 PolarHBondContact O-N 3.34Å
212F98.4Very high97.5Very high1 Ų146 Ų460%0.00423%0.232CC..Hα-helixtrans-60.9-42.8173.4-176.1-103.5000112.1L49 L97 C99 C122 L126 L168 V208 M209 P210 V214 A215 F216L49-F212 HydrophobicContact CD1-CD1 4.43Å; L49-F212 HydrophobicContact CD2-CD1 4.36Å; L49-F212 HydrophobicContact CD2-CE1 3.96Å; L97-F212 HydrophobicContact CD2-CB 4.32Å; L97-F212 HydrophobicContact CD2-CD1 4.27Å; L97-F212 HydrophobicContact CD2-CD2 4.2Å; L97-F212 HydrophobicContact CD2-CG 3.98Å; C99-F212 HydrophobicContact CB-CE1 3.76Å; C99-F212 HydrophobicContact CB-CZ 3.7Å; C99-F212 VanDerWaalsContact SG-CE1 3.56Å; C99-F212 WeakPolarHBondContact SG-CZ 3.22Å; C122-F212 HydrophobicContact CB-CE2 3.93Å; C122-F212 HydrophobicContact CB-CZ 4.37Å; L126-F212 HydrophobicContact CB-CD2 4.49Å; L126-F212 HydrophobicContact CD1-CB 4.5Å; L126-F212 HydrophobicContact CD2-CB 4.08Å; L126-F212 HydrophobicContact CD2-CD2 3.85Å; L126-F212 HydrophobicContact CD2-CG 4.4Å; L168-F212 HydrophobicContact CD1-CE2 4.4Å; L168-F212 HydrophobicContact CD1-CZ 4.44Å; L168-F212 HydrophobicContact CD2-CE2 4.02Å; L168-F212 HydrophobicContact CD2-CZ 4.01Å; V208-F212 VanDerWaalsContact O-CB 3.24Å; V208-F212 WeakPolarHBondContact O-CB 3.48Å; V208-F212 PolarHBondContact O-N 3.13Å; M209-F212 PolarHBondContact O-N 3.34Å; P210-F212 VanDerWaalsContact C-N 3.29Å; P210-F212 PolarHBondContact O-N 3.11Å; F212-V214 VanDerWaalsContact C-N 3.3Å; F212-V214 PolarHBondContact O-N 3.18Å; F212-A215 PolarHBondContact O-N 3.18Å; F212-F216 HydrophobicContact CE1-CD2 4.49Å; F212-F216 WeakPolarHBondContact O-CB 3.4Å; F212-F216 PolarHBondContact O-N 3.37Å
213L98.1Very high97.3Very high12 Ų1242.4 Ų42.46%0.06322%0.219CC..Hα-helixtrans-66.4-31.8178.1-66.8178.2000112.8L8 L47 L49 M209 P210 P211 K217 L224L8-L213 HydrophobicContact CD1-CD2 3.76Å; L8-L213 HydrophobicContact CD2-CD1 3.73Å; L8-L213 HydrophobicContact CD2-CD2 4.16Å; L47-L213 HydrophobicContact CD2-CD2 3.9Å; L49-L213 HydrophobicContact CD1-CD2 3.47Å; L49-L213 VanDerWaalsContact CD1-CD2 3.47Å; L49-L213 HydrophobicContact CD1-CG 4.32Å; M209-L213 WeakPolarHBondContact O-CG 3.39Å; M209-L213 PolarHBondContact O-N 2.9Å; M209-L213 VanDerWaalsContact O-N 3.1Å; P210-L213 PolarHBondContact O-N 2.81Å; P211-L213 VanDerWaalsContact C-N 3.34Å; P211-L213 PolarHBondContact O-N 2.94Å; L213-K217 VanDerWaalsContact O-CE 3.28Å; L213-K217 WeakPolarHBondContact O-CE 3.45Å; L213-K217 WeakPolarHBondContact O-CG 3.45Å; L213-K217 PolarHBondContact O-N 3.11Å; L213-K217 VanDerWaalsContact O-N 3.12Å; L213-L224 HydrophobicContact CB-CD1 4.15Å; L213-L224 HydrophobicContact CD2-CD1 3.71Å; L213-L224 HydrophobicContact CG-CD1 4.41Å
214V96.6Very high97.2Very high58 Ų5844.2 Ų44.235%0.35223%0.229SC..Hα-helixtrans-63.2-53.6171.6174.40000109.6P210 P211 F212 F216 K217 E218P210-V214 PolarHBondContact O-N 3.25Å; P211-V214 WeakPolarHBondContact O-CB 3.28Å; P211-V214 PolarHBondContact O-N 2.89Å; F212-V214 VanDerWaalsContact C-N 3.3Å; F212-V214 PolarHBondContact O-N 3.18Å; V214-F216 VanDerWaalsContact C-N 3.3Å; V214-F216 PolarHBondContact O-N 3.45Å; V214-K217 PolarHBondContact O-N 3.1Å; V214-E218 WeakPolarHBondContact CG1-OE1 3.46Å; V214-E218 WeakPolarHBondContact O-CG 3.3Å; V214-E218 PolarHBondContact O-N 3.38Å
215A98Very high96.9Very high0 Ų045.1 Ų45.10%023%0.231CC..Hα-helixtrans-56.1-44.2177.700000112.1R125 P211 F212 K217 E218 I219R125-A215 HydrophobicContact CB-CB 3.92Å; R125-A215 HydrophobicContact CG-CB 3.68Å; P211-A215 PolarHBondContact O-N 3.34Å; F212-A215 PolarHBondContact O-N 3.18Å; A215-K217 PolarHBondContact O-N 2.93Å; A215-E218 PolarHBondContact O-N 2.89Å; A215-I219 HydrophobicContact CB-CD1 4.47Å; A215-I219 WeakPolarHBondContact O-CB 3.46Å; A215-I219 WeakPolarHBondContact O-CD1 3.33Å; A215-I219 WeakPolarHBondContact O-CG1 3.46Å; A215-I219 PolarHBondContact O-N 3.44Å
216F98.3Very high96.1Very high0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-60.2-48.5178.9-170.4-85000112.1V6 L47 P101 L103 F212 V214 E218 I219 Y220 L224V6-F216 HydrophobicContact CG1-CE1 4.44Å; L47-F216 HydrophobicContact CB-CZ 4.45Å; L47-F216 HydrophobicContact CD1-CD2 4.07Å; L47-F216 HydrophobicContact CD1-CE2 3.62Å; L47-F216 HydrophobicContact CD1-CZ 3.92Å; L47-F216 HydrophobicContact CD2-CD1 3.82Å; L47-F216 HydrophobicContact CD2-CD2 3.98Å; L47-F216 HydrophobicContact CD2-CE1 3.95Å; L47-F216 HydrophobicContact CD2-CE2 4.11Å; L47-F216 HydrophobicContact CD2-CG 3.83Å; L47-F216 HydrophobicContact CD2-CZ 4.1Å; L47-F216 HydrophobicContact CG-CE2 4.42Å; L47-F216 HydrophobicContact CG-CZ 4.39Å; P101-F216 HydrophobicContact CB-CE2 4.46Å; L103-F216 HydrophobicContact CD1-CZ 4.37Å; F212-F216 HydrophobicContact CE1-CD2 4.49Å; F212-F216 WeakPolarHBondContact O-CB 3.4Å; F212-F216 PolarHBondContact O-N 3.37Å; V214-F216 VanDerWaalsContact C-N 3.3Å; V214-F216 PolarHBondContact O-N 3.45Å; F216-E218 VanDerWaalsContact C-N 3.35Å; F216-E218 PolarHBondContact O-N 3.28Å; F216-I219 PolarHBondContact O-N 2.9Å; F216-Y220 HydrophobicContact CD1-CD2 4.2Å; F216-Y220 HydrophobicContact CD1-CG 4.44Å; F216-Y220 AromaticContact CD2-CD2 3.74Å; F216-Y220 HydrophobicContact CD2-CD2 3.74Å; F216-Y220 AromaticContact CD2-CE2 3.8Å; F216-Y220 HydrophobicContact CD2-CE2 3.8Å; F216-Y220 HydrophobicContact CE1-CD2 4.05Å; F216-Y220 AromaticContact CE1-CG 3.99Å; F216-Y220 HydrophobicContact CE1-CG 3.99Å; F216-Y220 AromaticContact CE2-CD2 3.56Å; F216-Y220 HydrophobicContact CE2-CD2 3.56Å; F216-Y220 HydrophobicContact CE2-CE1 4.46Å; F216-Y220 AromaticContact CE2-CE2 3.43Å; F216-Y220 HydrophobicContact CE2-CE2 3.43Å; F216-Y220 VanDerWaalsContact CE2-CE2 3.43Å; F216-Y220 HydrophobicContact CE2-CG 4.16Å; F216-Y220 AromaticContact CE2-CZ 3.91Å; F216-Y220 HydrophobicContact CG-CD2 4.06Å; F216-Y220 HydrophobicContact CZ-CD1 4.12Å; F216-Y220 AromaticContact CZ-CD2 3.73Å; F216-Y220 HydrophobicContact CZ-CD2 3.73Å; F216-Y220 HydrophobicContact CZ-CE1 4.29Å; F216-Y220 AromaticContact CZ-CE2 3.93Å; F216-Y220 HydrophobicContact CZ-CE2 3.93Å; F216-Y220 AromaticContact CZ-CG 3.84Å; F216-Y220 HydrophobicContact CZ-CG 3.84Å; F216-Y220 WeakPolarHBondContact O-CB 3.47Å; F216-Y220 PolarHBondContact O-N 2.96Å; F216-L224 HydrophobicContact CD1-CD2 4.09Å; F216-L224 HydrophobicContact CE1-CD2 4.16Å
217K97.1Very high94.5Very high91 Ų9147.5 Ų47.540%0.39625%0.248SC..Hα-helixtrans-60.3-43.8178.1-74.9179.7-63.1177.10112.1L213 V214 A215 K221 C222 L224L213-K217 VanDerWaalsContact O-CE 3.28Å; L213-K217 WeakPolarHBondContact O-CE 3.45Å; L213-K217 WeakPolarHBondContact O-CG 3.45Å; L213-K217 PolarHBondContact O-N 3.11Å; L213-K217 VanDerWaalsContact O-N 3.12Å; V214-K217 PolarHBondContact O-N 3.1Å; A215-K217 PolarHBondContact O-N 2.93Å; K217-K221 WeakPolarHBondContact O-CA 3.47Å; K217-K221 PolarHBondContact O-N 2.81Å; K217-C222 PolarHBondContact O-N 3.46Å; K217-L224 HydrophobicContact CD-CD1 4.1Å; K217-L224 HydrophobicContact CD-CG 4.2Å; K217-L224 HydrophobicContact CG-CD1 3.76Å; K217-L224 HydrophobicContact CG-CG 3.75Å
218E96Very high91.9Very high105 Ų10551.1 Ų51.149%0.49127%0.269SS..Hα-helixtrans-62.7-48.3179.7-72.1174.3176.400111.4R125 V214 A215 F216 K221R125-E218 IonicContact NE-OE2 3.93Å; V214-E218 WeakPolarHBondContact CG1-OE1 3.46Å; V214-E218 WeakPolarHBondContact O-CG 3.3Å; V214-E218 PolarHBondContact O-N 3.38Å; A215-E218 PolarHBondContact O-N 2.89Å; F216-E218 VanDerWaalsContact C-N 3.35Å; F216-E218 PolarHBondContact O-N 3.28Å; E218-K221 WeakPolarHBondContact O-CG 3.39Å
219I97.9Very high88.7Confident51 Ų5155.9 Ų55.926%0.26230%0.303SS..Hα-helixtrans-76.2-42.8-173.3-70.9160.2000111.9A118 A121 C122 R125 A215 F216 K221A118-I219 HydrophobicContact CB-CG2 3.77Å; A121-I219 HydrophobicContact CB-CD1 3.75Å; A121-I219 HydrophobicContact CB-CG1 4.3Å; A121-I219 HydrophobicContact CB-CG2 4.2Å; A121-I219 WeakPolarHBondContact O-CD1 3.44Å; C122-I219 VanDerWaalsContact CA-CD1 3.41Å; C122-I219 HydrophobicContact CB-CD1 4.13Å; C122-I219 VanDerWaalsContact N-CD1 3.3Å; C122-I219 VanDerWaalsContact SG-CD1 3.6Å; R125-I219 HydrophobicContact CB-CD1 4.21Å; A215-I219 HydrophobicContact CB-CD1 4.47Å; A215-I219 WeakPolarHBondContact O-CB 3.46Å; A215-I219 WeakPolarHBondContact O-CD1 3.33Å; A215-I219 WeakPolarHBondContact O-CG1 3.46Å; A215-I219 PolarHBondContact O-N 3.44Å; F216-I219 PolarHBondContact O-N 2.9Å; I219-K221 VanDerWaalsContact C-N 3.28Å
220Y96.9Very high85.7Confident13 Ų1360.9 Ų60.95%0.05134%0.336CS..Hα-helixtrans-80.8-9.8177.1-79.6-99.3000113.2L103 L108 L110 H115 A118 F216 C222L103-Y220 HydrophobicContact CD1-CD1 4.17Å; L103-Y220 HydrophobicContact CD1-CE1 3.75Å; L108-Y220 HydrophobicContact CD1-CD1 4.37Å; L108-Y220 HydrophobicContact CD2-CD1 4.49Å; L110-Y220 HydrophobicContact CD1-CD1 3.92Å; L110-Y220 HydrophobicContact CD1-CE1 3.78Å; H115-Y220 PolarHBondContact CE1-OH 2.93Å; H115-Y220 AromaticContact ND1-CE1 3.76Å; H115-Y220 AromaticContact ND1-CZ 3.75Å; H115-Y220 PolarHBondContact ND1-OH 3.41Å; A118-Y220 HydrophobicContact CB-CD2 4.48Å; A118-Y220 HydrophobicContact CB-CE1 4.45Å; A118-Y220 HydrophobicContact CB-CE2 3.8Å; F216-Y220 HydrophobicContact CD1-CD2 4.2Å; F216-Y220 HydrophobicContact CD1-CG 4.44Å; F216-Y220 AromaticContact CD2-CD2 3.74Å; F216-Y220 HydrophobicContact CD2-CD2 3.74Å; F216-Y220 AromaticContact CD2-CE2 3.8Å; F216-Y220 HydrophobicContact CD2-CE2 3.8Å; F216-Y220 HydrophobicContact CE1-CD2 4.05Å; F216-Y220 AromaticContact CE1-CG 3.99Å; F216-Y220 HydrophobicContact CE1-CG 3.99Å; F216-Y220 AromaticContact CE2-CD2 3.56Å; F216-Y220 HydrophobicContact CE2-CD2 3.56Å; F216-Y220 HydrophobicContact CE2-CE1 4.46Å; F216-Y220 AromaticContact CE2-CE2 3.43Å; F216-Y220 HydrophobicContact CE2-CE2 3.43Å; F216-Y220 VanDerWaalsContact CE2-CE2 3.43Å; F216-Y220 HydrophobicContact CE2-CG 4.16Å; F216-Y220 AromaticContact CE2-CZ 3.91Å; F216-Y220 HydrophobicContact CG-CD2 4.06Å; F216-Y220 HydrophobicContact CZ-CD1 4.12Å; F216-Y220 AromaticContact CZ-CD2 3.73Å; F216-Y220 HydrophobicContact CZ-CD2 3.73Å; F216-Y220 HydrophobicContact CZ-CE1 4.29Å; F216-Y220 AromaticContact CZ-CE2 3.93Å; F216-Y220 HydrophobicContact CZ-CE2 3.93Å; F216-Y220 AromaticContact CZ-CG 3.84Å; F216-Y220 HydrophobicContact CZ-CG 3.84Å; F216-Y220 WeakPolarHBondContact O-CB 3.47Å; F216-Y220 PolarHBondContact O-N 2.96Å; Y220-C222 PolarHBondContact O-N 3.16Å
221K95.8Very high82.5Confident150 Ų15068.6 Ų68.665%0.65237%0.373SS*.THydrogen-bonded Turntrans5043.4-176.2-57.3-178.1-174.4-177.50111.6Q3 K217 E218 I219Q3-K221 VanDerWaalsContact CG-O 3.3Å; Q3-K221 WeakPolarHBondContact CG-O 3.48Å; K217-K221 WeakPolarHBondContact O-CA 3.47Å; K217-K221 PolarHBondContact O-N 2.81Å; E218-K221 WeakPolarHBondContact O-CG 3.39Å; I219-K221 VanDerWaalsContact C-N 3.28Å
222C94.8Very high81.7Confident2 Ų270.8 Ų70.81%0.01438%0.383CS..  trans-119.1160-17572.50000111.4P4 V6 L108 K217 Y220P4-C222 HydrophobicContact CG-CB 4.27Å; P4-C222 VanDerWaalsContact O-CA 3.27Å; P4-C222 WeakPolarHBondContact O-CA 3.4Å; P4-C222 VanDerWaalsContact O-CB 3.24Å; P4-C222 WeakPolarHBondContact O-CB 3.45Å; V6-C222 HydrophobicContact CG2-CB 4.07Å; L108-C222 HydrophobicContact CD2-CB 4.44Å; K217-C222 PolarHBondContact O-N 3.46Å; Y220-C222 PolarHBondContact O-N 3.16Å
223T94.7Very high80.8Confident57 Ų5774.4 Ų74.435%0.3540%0.403SS..EExtended strand (participates in β ladder)trans-93.2141.6164.954.80000109.7Q3 P4 V6Q3-T223 HydrophobicContact CB-CG2 4.15Å; P4-T223 PolarHBondContact O-N 3.29Å; V6-T223 PolarHBondContact N-O 2.86Å
224L94.8Very high79.8Confident38 Ų3877.9 Ų77.920%0.19942%0.422CS..EExtended strand (participates in β ladder)trans-98.4126.3171.6-65.8177000108.9V6 L8 L47 L213 F216 K217V6-L224 HydrophobicContact CB-CD2 4.02Å; V6-L224 HydrophobicContact CG1-CD2 4.11Å; V6-L224 WeakPolarHBondContact O-CA 3.35Å; L8-L224 HydrophobicContact CB-CB 4.42Å; L8-L224 HydrophobicContact CD2-CD1 4.49Å; L47-L224 HydrophobicContact CD2-CD2 4.17Å; L213-L224 HydrophobicContact CB-CD1 4.15Å; L213-L224 HydrophobicContact CD2-CD1 3.71Å; L213-L224 HydrophobicContact CG-CD1 4.41Å; F216-L224 HydrophobicContact CD1-CD2 4.09Å; F216-L224 HydrophobicContact CE1-CD2 4.16Å; K217-L224 HydrophobicContact CD-CD1 4.1Å; K217-L224 HydrophobicContact CD-CG 4.2Å; K217-L224 HydrophobicContact CG-CD1 3.76Å; K217-L224 HydrophobicContact CG-CG 3.75Å
225I92.5Very high78.9Confident67 Ų6779.1 Ų79.134%0.34443%0.426SS..EExtended strand (participates in β ladder)trans-109.3119.3174.254.9177000108.1A5 V6 R7 L8A5-I225 HydrophobicContact CB-CD1 4.15Å; V6-I225 PolarHBondContact O-N 2.98Å; R7-I225 CarbonylContact C-O 3.56Å; R7-I225 WeakPolarHBondContact CA-O 3.47Å; R7-I225 HydrophobicContact CB-CG1 4.47Å; R7-I225 HydrophobicContact CG-CD1 3.97Å; R7-I225 HydrophobicContact CG-CG1 4Å; L8-I225 PolarHBondContact N-O 3.42Å
226S82.9Confident77.7Confident84 Ų8484 Ų8459%0.58745%0.453SS*.EExtended strand (participates in β ladder)trans-74.5140.8170.144.90000109D228S226-D228 PolarHBondContact O-N 2.81Å
227E63.7Low76.3Confident89 Ų8989.6 Ų89.642%0.41648%0.483SS..PPolyproline II helixtrans-75.8116.6150.5-72.7-179.4172.100105.2R7 S229R7-E227 WeakPolarHBondContact CD-OE1 3.27Å; R7-E227 IonicContact CZ-OE1 3.75Å; R7-E227 IonicContact NE-OE1 3.38Å; R7-E227 IonicContact NH1-OE1 2.99Å; R7-E227 PolarHBondContact NH1-OE1 2.9Å; E227-S229 PolarHBondContact O-N 2.98Å; E227-S229 VanDerWaalsContact O-N 3.16Å
228D43.5Very low74.8Confident148 Ų14889.5 Ų89.579%0.79149%0.49SS*.PPolyproline II helixtrans-52.3122.8155.2-66.3-36.7000105S226S226-D228 PolarHBondContact O-N 2.81Å
229S30Very low73.2Confident100 Ų10088.3 Ų88.370%0.69949%0.489SS*.  trans-38.5131.5-173.8-58.50000110.6E227 N231E227-S229 PolarHBondContact O-N 2.98Å; E227-S229 VanDerWaalsContact O-N 3.16Å; S229-N231 PolarHBondContact O-N 3.31Å
230P33.6Very low71.1Confident115 Ų11591.4 Ų91.475%0.74751%0.508SS*.  trans-59.8114.9168.925.9-30.3000106.8
231N30.3Very low68.8Low234 Ų23498.5 Ų98.5100%1.25155%0.55SS**  trans-52.30160.3-83.1-20.1000110.1S229S229-N231 PolarHBondContact O-N 3.31Å

Retrieved 231 of 231 residues in 94.5 ms (Link to these results)

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