A0A087XZE1_POEFO Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A087XZE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 340 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.3Very low60.1Low242 Ų242105.5 Ų105.5100%1.19250%0.501SS*.  094.50-90.1174.9173.200106.2
2F46.6Very low62.5Low172 Ų172101.2 Ų101.275%0.75448%0.478SS*.  trans-78.3127.1170.1-71.4-81.4000107R4 M188F2-R4 PolarHBondContact O-N 3.19Å; F2-M188 HydrophobicContact CB-CE 3.9Å; F2-M188 HydrophobicContact CB-SD 4.46Å
3D48.4Very low64.6Low101 Ų10195.8 Ų95.854%0.5445%0.453SS..  trans-65.4121.7-173.1-156.7-16.6000109.3K5 L6D3-K5 PolarHBondContact O-N 3.16Å; D3-K5 VanDerWaalsContact O-N 3.13Å; D3-L6 HydrophobicContact CB-CD1 3.75Å; D3-L6 HydrophobicContact CB-CG 4.09Å; D3-L6 PolarHBondContact O-N 3.27Å
4R52.8Low66.4Low188 Ų18891.1 Ų91.171%0.70943%0.43SS*.Hα-helixtrans-65.6-18.8-174.6-63.4-179.3-167.3-176.63.5112.3F2F2-R4 PolarHBondContact O-N 3.19Å
5K51.8Low67.8Low156 Ų15691.9 Ų91.968%0.67843%0.432SS*.Hα-helixtrans-69.4-41.8176.3-128.5177.8179.2-175.10112D3 N7 M8 D9D3-K5 PolarHBondContact O-N 3.16Å; D3-K5 VanDerWaalsContact O-N 3.13Å; K5-N7 PolarHBondContact O-N 3.04Å; K5-N7 VanDerWaalsContact O-N 3.13Å; K5-M8 PolarHBondContact O-N 3.13Å; K5-M8 VanDerWaalsContact O-N 3.16Å; K5-D9 PolarHBondContact O-N 3.32Å
6L53.3Low68.9Low109 Ų10988 Ų8857%0.57141%0.413SS*.Hα-helixtrans-60.5-26.6179.6-71.4166.9000113.1D3 S10D3-L6 HydrophobicContact CB-CD1 3.75Å; D3-L6 HydrophobicContact CB-CG 4.09Å; D3-L6 PolarHBondContact O-N 3.27Å; L6-S10 PolarHBondContact O-N 3.13Å
7N63Low69.2Low12 Ų1292.3 Ų92.36%0.06443%0.433CS..Hα-helixtrans-71.7-34.8-179.4-66.113.3000112.5K5 S10 M188 V190K5-N7 PolarHBondContact O-N 3.04Å; K5-N7 VanDerWaalsContact O-N 3.13Å; N7-S10 PolarHBondContact O-OG 3.45Å; N7-M188 WeakPolarHBondContact ND2-CE 3.41Å; N7-V190 HydrophobicContact CB-CG2 3.69Å
8M68.6Low69.9Low24 Ų2490.9 Ų90.912%0.11845%0.448CS..Hα-helixtrans-77.5-33.9175.4-80.7-60.8-161.300111.8K5 S10 I11 F138 P147 L149 V190 Q192K5-M8 PolarHBondContact O-N 3.13Å; K5-M8 VanDerWaalsContact O-N 3.16Å; M8-S10 PolarHBondContact O-N 3.08Å; M8-I11 WeakPolarHBondContact O-CB 3.46Å; M8-I11 PolarHBondContact O-N 3.45Å; M8-I11 VanDerWaalsContact O-N 3.08Å; M8-I11 HydrophobicContact SD-CD1 3.77Å; M8-F138 HydrophobicContact CE-CE1 3.8Å; M8-F138 HydrophobicContact SD-CE1 3.89Å; M8-P147 HydrophobicContact SD-CG 4.07Å; M8-L149 HydrophobicContact CE-CB 4.37Å; M8-V190 HydrophobicContact CE-CB 4.26Å; M8-V190 HydrophobicContact CE-CG1 3.18Å; M8-V190 HydrophobicContact CG-CG1 3.78Å; M8-V190 HydrophobicContact SD-CG1 3.66Å; M8-Q192 HydrophobicContact CE-CB 4.12Å; M8-Q192 HydrophobicContact CE-CG 4.37Å
9D71.3Confident70.5Confident120 Ų12088.8 Ų88.864%0.64244%0.443SS*.Hα-helixtrans-67.4-16.9178.9-60.3-27.2000112.8K5 I11K5-D9 PolarHBondContact O-N 3.32Å; D9-I11 VanDerWaalsContact C-N 3.29Å
10S80.4Confident71.2Confident27 Ų2786.7 Ų86.719%0.18943%0.433CS..THydrogen-bonded Turntrans-73.7-18.9173.272.80000113.9L6 N7 M8 F12 A181L6-S10 PolarHBondContact O-N 3.13Å; N7-S10 PolarHBondContact O-OG 3.45Å; M8-S10 PolarHBondContact O-N 3.08Å; S10-F12 PolarHBondContact O-N 3.48Å; S10-A181 WeakPolarHBondContact O-CB 3.47Å
11I85.9Confident72.1Confident10 Ų1082.6 Ų82.65%0.05141%0.412CS..SBendtrans-80121.8178.6-58.8175.5000108.1M8 D9 H13 L133 F138 L140 P147 A181 L185M8-I11 WeakPolarHBondContact O-CB 3.46Å; M8-I11 PolarHBondContact O-N 3.45Å; M8-I11 VanDerWaalsContact O-N 3.08Å; M8-I11 HydrophobicContact SD-CD1 3.77Å; D9-I11 VanDerWaalsContact C-N 3.29Å; I11-H13 PolarHBondContact O-N 2.96Å; I11-L133 HydrophobicContact CB-CD1 4.37Å; I11-L133 HydrophobicContact CD1-CD1 4.14Å; I11-L133 HydrophobicContact CG1-CD1 3.97Å; I11-L133 HydrophobicContact CG2-CD1 3.64Å; I11-F138 HydrophobicContact CD1-CD1 3.77Å; I11-F138 HydrophobicContact CD1-CD2 4.35Å; I11-F138 HydrophobicContact CD1-CE1 3.54Å; I11-F138 HydrophobicContact CD1-CE2 4.19Å; I11-F138 HydrophobicContact CD1-CG 4.16Å; I11-F138 HydrophobicContact CD1-CZ 3.78Å; I11-L140 HydrophobicContact CG2-CD2 3.96Å; I11-P147 HydrophobicContact CB-CG 4.24Å; I11-P147 HydrophobicContact CD1-CB 4.24Å; I11-P147 HydrophobicContact CD1-CG 4.1Å; I11-P147 HydrophobicContact CG2-CB 4.11Å; I11-P147 HydrophobicContact CG2-CG 4.22Å; I11-A181 HydrophobicContact CG1-CB 4.18Å; I11-L185 HydrophobicContact CD1-CD1 3.9Å; I11-L185 HydrophobicContact CG1-CD1 3.86Å
12F89.3Confident74.6Confident53 Ų5371 Ų7123%0.23236%0.356CS..  trans-69.6118.3172-179.1-91.5000109S10 E14 N27 Q31 G32 E33S10-F12 PolarHBondContact O-N 3.48Å; F12-E14 HydrophobicContact CE1-CB 3.91Å; F12-E14 HydrophobicContact CZ-CB 3.98Å; F12-E14 HydrophobicContact CZ-CG 4.45Å; F12-N27 HydrophobicContact CE1-CB 4.07Å; F12-Q31 HydrophobicContact CB-CB 4.3Å; F12-Q31 VanDerWaalsContact N-OE1 3.08Å; F12-Q31 PolarHBondContact O-NE2 2.96Å; F12-G32 VanDerWaalsContact CD1-N 3.31Å; F12-E33 HydrophobicContact CE2-CG 3.81Å; F12-E33 HydrophobicContact CZ-CG 3.49Å; F12-E33 VanDerWaalsContact CZ-CG 3.49Å
13H90.3Very high76.8Confident31 Ų3163.9 Ų63.914%0.14433%0.325CS..  trans-137.3102.4177-176.2101.4000109.6I11 N141 L144I11-H13 PolarHBondContact O-N 2.96Å; H13-N141 PolarHBondContact CE1-O 3.4Å; H13-L144 PolarHBondContact NE2-O 2.86Å; H13-L144 VanDerWaalsContact NE2-O 3.12Å
14E89.5Confident78.9Confident30 Ų3059.5 Ų59.514%0.1430%0.301CS..PPolyproline II helixtrans-82.7120.2173-157.1-177.2158.500109.2F12 Q23 H24 N27 N28F12-E14 HydrophobicContact CE1-CB 3.91Å; F12-E14 HydrophobicContact CZ-CB 3.98Å; F12-E14 HydrophobicContact CZ-CG 4.45Å; E14-Q23 PolarHBondContact OE1-NE2 3.13Å; E14-H24 WeakPolarHBondContact CG-ND1 3.39Å; E14-H24 IonicContact OE1-CE1 3.94Å; E14-H24 PolarHBondContact OE1-CE1 3.27Å; E14-H24 IonicContact OE1-ND1 3.73Å; E14-H24 PolarHBondContact OE1-ND1 3.03Å; E14-H24 IonicContact OE2-ND1 3.3Å; E14-N27 WeakPolarHBondContact OE2-CB 3.44Å; E14-N27 PolarHBondContact OE2-ND2 3.04Å; E14-N28 WeakPolarHBondContact CB-OD1 3.48Å; E14-N28 PolarHBondContact N-OD1 3.41Å; E14-N28 PolarHBondContact O-ND2 3.48Å
15K87.9Confident80.8Confident104 Ų10450.6 Ų50.645%0.45227%0.267SS..PPolyproline II helixtrans-80.8143.7176.7-64.4179-172.5-176.50109.1T145 I199K15-T145 WeakPolarHBondContact CE-O 3.47Å; K15-T145 PolarHBondContact NZ-O 3.34Å; K15-I199 HydrophobicContact CB-CD1 3.83Å; K15-I199 HydrophobicContact CD-CD1 4.12Å; K15-I199 HydrophobicContact CG-CD1 4.05Å
16Q84.1Confident82.9Confident29 Ų2943.1 Ų43.114%0.13624%0.235CC..PPolyproline II helixtrans-76.9130.9179.5172.1171.7-18.600112.1G18 C21 H24 H126 S142Q16-G18 VanDerWaalsContact CG-O 3.3Å; Q16-G18 WeakPolarHBondContact CG-O 3.04Å; Q16-G18 PolarHBondContact NE2-O 3.5Å; Q16-C21 VanDerWaalsContact OE1-CB 3.26Å; Q16-H24 WeakPolarHBondContact CA-CD2 3.43Å; Q16-H24 WeakPolarHBondContact CA-NE2 3.33Å; Q16-H24 VanDerWaalsContact CB-CD2 3.46Å; Q16-H24 WeakPolarHBondContact CB-CD2 3.43Å; Q16-H126 PolarHBondContact OE1-CE1 3.34Å; Q16-S142 WeakPolarHBondContact CB-OG 3.33Å; Q16-S142 PolarHBondContact N-O 3.18Å; Q16-S142 PolarHBondContact OE1-OG 3Å
17E75.4Confident84.8Confident161 Ų16138 Ų3875%0.75221%0.208SC*.  trans-113.1118.1168.3-62.4-171.6169.100108.5H24E17-H24 PolarHBondContact N-NE2 2.89Å
18G80.2Confident86.3Confident67 Ų6737.4 Ų37.469%0.69121%0.205SC*.THydrogen-bonded Turntrans74.4-141.8-175.100000113.3Q16Q16-G18 VanDerWaalsContact CG-O 3.3Å; Q16-G18 WeakPolarHBondContact CG-O 3.04Å; Q16-G18 PolarHBondContact NE2-O 3.5Å
19S81.8Confident87.5Confident51 Ų5136.3 Ų36.336%0.35720%0.199SC..THydrogen-bonded Turntrans-1029.8-174.4-57.40000114.2C21 S79S19-C21 PolarHBondContact O-N 3.08Å; S19-S79 VanDerWaalsContact CB-O 3.27Å; S19-S79 WeakPolarHBondContact CB-O 3.39Å
20L85.5Confident88.5Confident47 Ų4730.6 Ų30.625%0.24617%0.169CC..  trans-78.944.3-171.6-66.2167.2000113.9A22 Q23 H24 P37 F82L20-A22 VanDerWaalsContact C-N 3.27Å; L20-A22 PolarHBondContact O-N 3.21Å; L20-Q23 PolarHBondContact O-N 3.32Å; L20-H24 PolarHBondContact O-CD2 3.04Å; L20-P37 HydrophobicContact CD1-CB 4.49Å; L20-P37 HydrophobicContact CD1-CG 3.76Å; L20-P37 HydrophobicContact CD2-CB 4.11Å; L20-P37 HydrophobicContact CD2-CG 4.17Å; L20-F82 HydrophobicContact CD2-CE2 4.26Å
21C89.2Confident89Confident0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-57.8-34.2-174.957.30000113.8Q16 S19 H24 C25 E125 H126 W127Q16-C21 VanDerWaalsContact OE1-CB 3.26Å; S19-C21 PolarHBondContact O-N 3.08Å; C21-H24 PolarHBondContact O-N 2.95Å; C21-C25 WeakPolarHBondContact O-CB 3.39Å; C21-C25 PolarHBondContact O-N 3.21Å; C21-E125 PolarHBondContact SG-O 2.76Å; C21-H126 WeakPolarHBondContact CB-ND1 3.11Å; C21-W127 HydrophobicContact CB-CB 4.49Å
22A90.9Very high89.2Confident0 Ų030.2 Ų30.20%017%0.167CC..Hα-helixtrans-66.6-38.6-178.300000113.1L20 L26 L40 F82 I87L20-A22 VanDerWaalsContact C-N 3.27Å; L20-A22 PolarHBondContact O-N 3.21Å; A22-L26 WeakPolarHBondContact O-CG 3.45Å; A22-L26 PolarHBondContact O-N 3.35Å; A22-L40 HydrophobicContact CB-CD1 4.21Å; A22-F82 HydrophobicContact CB-CB 3.82Å; A22-F82 HydrophobicContact CB-CD2 3.7Å; A22-F82 HydrophobicContact CB-CG 4.13Å; A22-I87 HydrophobicContact CB-CD1 4.26Å; A22-I87 HydrophobicContact CB-CG1 4.4Å
23Q92.4Very high89.3Confident22 Ų2235.1 Ų35.110%0.10319%0.19CC..Hα-helixtrans-58.9-58.5174.6171.3-170.4-21.200110E14 L20 C25 L26 N27 F35 L40E14-Q23 PolarHBondContact OE1-NE2 3.13Å; L20-Q23 PolarHBondContact O-N 3.32Å; Q23-C25 VanDerWaalsContact C-N 3.26Å; Q23-C25 PolarHBondContact O-N 3.12Å; Q23-L26 PolarHBondContact O-N 3.16Å; Q23-L26 VanDerWaalsContact O-N 3.12Å; Q23-N27 WeakPolarHBondContact O-CB 3.43Å; Q23-N27 PolarHBondContact O-N 3.48Å; Q23-F35 WeakPolarHBondContact CG-O 3.24Å; Q23-L40 HydrophobicContact CB-CD1 4.07Å
24H92.8Very high89.3Confident8 Ų838.6 Ų38.64%0.03720%0.203CC..Hα-helixtrans-64.1-35.2-175.4-51.6-58.2000111.1E14 Q16 E17 L20 C21 N28E14-H24 WeakPolarHBondContact CG-ND1 3.39Å; E14-H24 IonicContact OE1-CE1 3.94Å; E14-H24 PolarHBondContact OE1-CE1 3.27Å; E14-H24 IonicContact OE1-ND1 3.73Å; E14-H24 PolarHBondContact OE1-ND1 3.03Å; E14-H24 IonicContact OE2-ND1 3.3Å; Q16-H24 WeakPolarHBondContact CA-CD2 3.43Å; Q16-H24 WeakPolarHBondContact CA-NE2 3.33Å; Q16-H24 VanDerWaalsContact CB-CD2 3.46Å; Q16-H24 WeakPolarHBondContact CB-CD2 3.43Å; E17-H24 PolarHBondContact N-NE2 2.89Å; L20-H24 PolarHBondContact O-CD2 3.04Å; C21-H24 PolarHBondContact O-N 2.95Å; H24-N28 WeakPolarHBondContact O-CB 3.39Å; H24-N28 PolarHBondContact O-N 3.39Å; H24-N28 PolarHBondContact O-ND2 3.22Å
25C94.1Very high89.5Confident1 Ų138 Ų381%0.00720%0.2CC..Hα-helixtrans-57.4-50.4172.6-179.50000111.9C21 Q23 L29 W127 T129C21-C25 WeakPolarHBondContact O-CB 3.39Å; C21-C25 PolarHBondContact O-N 3.21Å; Q23-C25 VanDerWaalsContact C-N 3.26Å; Q23-C25 PolarHBondContact O-N 3.12Å; C25-L29 WeakPolarHBondContact O-CB 3.44Å; C25-L29 PolarHBondContact O-N 2.97Å; C25-W127 HydrophobicContact CB-CB 3.85Å; C25-T129 PolarHBondContact O-OG1 3.42Å; C25-T129 PolarHBondContact SG-OG1 2.77Å
26L94.3Very high89.7Confident0 Ų036 Ų360%020%0.196CC..Hα-helixtrans-68.5-42.6-179.7-73.9172000112.6A22 Q23 L29 L30 F35 L40 I87 A90 L91A22-L26 WeakPolarHBondContact O-CG 3.45Å; A22-L26 PolarHBondContact O-N 3.35Å; Q23-L26 PolarHBondContact O-N 3.16Å; Q23-L26 VanDerWaalsContact O-N 3.12Å; L26-L29 WeakPolarHBondContact O-CB 3.47Å; L26-L29 PolarHBondContact O-N 3.28Å; L26-L30 WeakPolarHBondContact O-CG 3.23Å; L26-L30 PolarHBondContact O-N 2.67Å; L26-F35 HydrophobicContact CB-CD2 3.79Å; L26-F35 HydrophobicContact CB-CE2 4.28Å; L26-F35 HydrophobicContact CD1-CD2 4.08Å; L26-F35 HydrophobicContact CD1-CE2 4.31Å; L26-F35 HydrophobicContact CD1-CG 4.35Å; L26-F35 HydrophobicContact CG-CD2 4.49Å; L26-L40 HydrophobicContact CD1-CD1 4.38Å; L26-L40 HydrophobicContact CD1-CD2 3.65Å; L26-I87 HydrophobicContact CD2-CG2 3.96Å; L26-A90 HydrophobicContact CD1-CB 3.85Å; L26-L91 HydrophobicContact CD2-CD1 4.35Å; L26-L91 HydrophobicContact CD2-CD2 3.67Å; L26-L91 HydrophobicContact CD2-CG 3.8Å
27N94.1Very high89.9Confident1 Ų136.8 Ų36.81%0.00520%0.204CC..Hα-helixtrans-67.4-41.2179.2-71.9-11.8000111.6F12 E14 Q23 L29 L30 Q31 G32 Y34 F35F12-N27 HydrophobicContact CE1-CB 4.07Å; E14-N27 WeakPolarHBondContact OE2-CB 3.44Å; E14-N27 PolarHBondContact OE2-ND2 3.04Å; Q23-N27 WeakPolarHBondContact O-CB 3.43Å; Q23-N27 PolarHBondContact O-N 3.48Å; N27-L29 VanDerWaalsContact C-N 3.3Å; N27-L29 PolarHBondContact O-N 2.87Å; N27-L30 CarbonylContact O-C 3.54Å; N27-L30 PolarHBondContact O-N 3.19Å; N27-Q31 WeakPolarHBondContact O-CA 3.19Å; N27-Q31 PolarHBondContact O-N 2.87Å; N27-G32 CarbonylContact C-O 3.59Å; N27-G32 WeakPolarHBondContact CA-O 3.37Å; N27-G32 WeakPolarHBondContact CB-O 3.25Å; N27-G32 PolarHBondContact O-N 2.84Å; N27-G32 PolarHBondContact OD1-O 2.82Å; N27-Y34 PolarHBondContact OD1-N 2.92Å; N27-Y34 VanDerWaalsContact OD1-N 3.14Å; N27-F35 PolarHBondContact ND2-O 3.06Å; N27-F35 PolarHBondContact OD1-N 3.45Å; N27-F35 PolarHBondContact OD1-O 2.83Å
28N93.5Very high90.6Very high0 Ų034 Ų340%020%0.198CC..Hα-helixtrans-63.3-37.8172.3-70.9-16000111.7E14 H24 Q31 L140E14-N28 WeakPolarHBondContact CB-OD1 3.48Å; E14-N28 PolarHBondContact N-OD1 3.41Å; E14-N28 PolarHBondContact O-ND2 3.48Å; H24-N28 WeakPolarHBondContact O-CB 3.39Å; H24-N28 PolarHBondContact O-N 3.39Å; H24-N28 PolarHBondContact O-ND2 3.22Å; N28-Q31 PolarHBondContact O-N 2.7Å; N28-Q31 PolarHBondContact O-NE2 2.99Å; N28-L140 HydrophobicContact CB-CB 3.88Å; N28-L140 HydrophobicContact CB-CD1 4.1Å; N28-L140 PolarHBondContact ND2-O 2.92Å; N28-L140 WeakPolarHBondContact O-CD1 3.45Å
29L93.9Very high91.2Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-63.7-43.9174.1176.262.8000112.4C25 L26 N27 Q31 L91 A118 I120 T129 R131 I172 L176C25-L29 WeakPolarHBondContact O-CB 3.44Å; C25-L29 PolarHBondContact O-N 2.97Å; L26-L29 WeakPolarHBondContact O-CB 3.47Å; L26-L29 PolarHBondContact O-N 3.28Å; N27-L29 VanDerWaalsContact C-N 3.3Å; N27-L29 PolarHBondContact O-N 2.87Å; L29-Q31 VanDerWaalsContact C-N 3.28Å; L29-L91 HydrophobicContact CD2-CD1 4.46Å; L29-L91 HydrophobicContact CD2-CD2 3.65Å; L29-A118 HydrophobicContact CD1-CB 3.3Å; L29-I120 HydrophobicContact CD2-CD1 3.82Å; L29-I120 HydrophobicContact CD2-CG1 4.2Å; L29-T129 HydrophobicContact CB-CG2 3.76Å; L29-T129 HydrophobicContact CD1-CG2 3.79Å; L29-T129 HydrophobicContact CG-CG2 4.37Å; L29-R131 VanDerWaalsContact O-CD 3.23Å; L29-R131 WeakPolarHBondContact O-CD 3.3Å; L29-R131 PolarHBondContact O-NH1 3.03Å; L29-I172 HydrophobicContact CD1-CG1 4.26Å; L29-I172 HydrophobicContact CD2-CD1 4.09Å; L29-I172 HydrophobicContact CD2-CG1 3.98Å; L29-I172 HydrophobicContact CD2-CG2 4.35Å; L29-L176 HydrophobicContact CD1-CD2 3.99Å; L29-L176 HydrophobicContact CG-CD2 4.16Å
30L92.6Very high91.6Very high1 Ų131.6 Ų31.61%0.00517%0.165CC..Hα-helixtrans-83.5-6.4-179.8-65178.3000113L26 N27 G32 Y34 F35 W94 L96 R131 L176 P177L26-L30 WeakPolarHBondContact O-CG 3.23Å; L26-L30 PolarHBondContact O-N 2.67Å; N27-L30 CarbonylContact O-C 3.54Å; N27-L30 PolarHBondContact O-N 3.19Å; L30-G32 VanDerWaalsContact C-N 3.35Å; L30-Y34 HydrophobicContact CB-CD2 3.44Å; L30-Y34 VanDerWaalsContact CB-CD2 3.44Å; L30-Y34 HydrophobicContact CB-CE2 3.75Å; L30-Y34 HydrophobicContact CB-CG 4.42Å; L30-Y34 HydrophobicContact CD1-CD2 3.91Å; L30-Y34 HydrophobicContact CD1-CG 4.09Å; L30-Y34 HydrophobicContact CG-CD2 4.34Å; L30-F35 HydrophobicContact CD1-CD2 4.14Å; L30-F35 HydrophobicContact CD1-CE2 3.58Å; L30-W94 HydrophobicContact CD1-CD2 4.2Å; L30-W94 HydrophobicContact CD1-CG 4.45Å; L30-W94 HydrophobicContact CD1-CZ2 4.15Å; L30-W94 HydrophobicContact CD2-CD2 4.49Å; L30-L96 HydrophobicContact CD2-CD1 3.9Å; L30-R131 PolarHBondContact O-NH1 2.88Å; L30-L176 HydrophobicContact CD2-CD2 4.44Å; L30-P177 HydrophobicContact CB-CG 4.23Å; L30-P177 HydrophobicContact CD2-CG 3.91Å; L30-P177 WeakPolarHBondContact O-CG 3.47Å
31Q91.4Very high91.8Very high17 Ų1730.5 Ų30.58%0.07916%0.162CC..THydrogen-bonded Turntrans57.845-176.4-68.2-74.8-68.200112.3F12 N27 N28 L29 L133 C179F12-Q31 HydrophobicContact CB-CB 4.3Å; F12-Q31 VanDerWaalsContact N-OE1 3.08Å; F12-Q31 PolarHBondContact O-NE2 2.96Å; N27-Q31 WeakPolarHBondContact O-CA 3.19Å; N27-Q31 PolarHBondContact O-N 2.87Å; N28-Q31 PolarHBondContact O-N 2.7Å; N28-Q31 PolarHBondContact O-NE2 2.99Å; L29-Q31 VanDerWaalsContact C-N 3.28Å; Q31-L133 HydrophobicContact CG-CD2 3.96Å; Q31-C179 HydrophobicContact CB-CB 3.66Å; Q31-C179 HydrophobicContact CG-CB 4.2Å
32G90.6Very high92Very high11 Ų1133 Ų3311%0.11318%0.179CC..SBendtrans178.8166.2174.500000112.8F12 N27 L30 Y34F12-G32 VanDerWaalsContact CD1-N 3.31Å; N27-G32 CarbonylContact C-O 3.59Å; N27-G32 WeakPolarHBondContact CA-O 3.37Å; N27-G32 WeakPolarHBondContact CB-O 3.25Å; N27-G32 PolarHBondContact O-N 2.84Å; N27-G32 PolarHBondContact OD1-O 2.82Å; L30-G32 VanDerWaalsContact C-N 3.35Å; G32-Y34 VanDerWaalsContact C-N 3.32Å; G32-Y34 WeakPolarHBondContact O-CD2 3.35Å; G32-Y34 PolarHBondContact O-N 2.79Å
33E90.8Very high92Very high156 Ų15634.2 Ų34.273%0.72919%0.185SC*.  trans-79.774.4179.4-62.1176.5-175.700111F12F12-E33 HydrophobicContact CE2-CG 3.81Å; F12-E33 HydrophobicContact CZ-CG 3.49Å; F12-E33 VanDerWaalsContact CZ-CG 3.49Å
34Y91.3Very high92Very high105 Ų10533.1 Ų33.141%0.41218%0.18SC..  trans-93.4-28.6-177.7-69.7-76.9000113.6N27 L30 G32 W94N27-Y34 PolarHBondContact OD1-N 2.92Å; N27-Y34 VanDerWaalsContact OD1-N 3.14Å; L30-Y34 HydrophobicContact CB-CD2 3.44Å; L30-Y34 VanDerWaalsContact CB-CD2 3.44Å; L30-Y34 HydrophobicContact CB-CE2 3.75Å; L30-Y34 HydrophobicContact CB-CG 4.42Å; L30-Y34 HydrophobicContact CD1-CD2 3.91Å; L30-Y34 HydrophobicContact CD1-CG 4.09Å; L30-Y34 HydrophobicContact CG-CD2 4.34Å; G32-Y34 VanDerWaalsContact C-N 3.32Å; G32-Y34 WeakPolarHBondContact O-CD2 3.35Å; G32-Y34 PolarHBondContact O-N 2.79Å; Y34-W94 AromaticContact CD1-CH2 3.39Å; Y34-W94 HydrophobicContact CD1-CH2 3.39Å; Y34-W94 AromaticContact CD1-CZ2 3.47Å; Y34-W94 HydrophobicContact CD1-CZ2 3.47Å; Y34-W94 VanDerWaalsContact CD1-CZ2 3.47Å; Y34-W94 AromaticContact CE1-CH2 3.44Å; Y34-W94 HydrophobicContact CE1-CH2 3.44Å; Y34-W94 VanDerWaalsContact CE1-CH2 3.44Å; Y34-W94 HydrophobicContact CE1-CZ2 4.04Å; Y34-W94 HydrophobicContact CE1-CZ3 4.36Å; Y34-W94 HydrophobicContact CG-CH2 4.05Å; Y34-W94 AromaticContact CG-CZ2 3.81Å; Y34-W94 HydrophobicContact CG-CZ2 3.81Å
35F92.6Very high91.8Very high17 Ų1738 Ų388%0.07520%0.203CC..  trans-118.3139.5-178.5-67.2-76.8000110.6Q23 L26 N27 L30 D39 L40 I43 A90 W94Q23-F35 WeakPolarHBondContact CG-O 3.24Å; L26-F35 HydrophobicContact CB-CD2 3.79Å; L26-F35 HydrophobicContact CB-CE2 4.28Å; L26-F35 HydrophobicContact CD1-CD2 4.08Å; L26-F35 HydrophobicContact CD1-CE2 4.31Å; L26-F35 HydrophobicContact CD1-CG 4.35Å; L26-F35 HydrophobicContact CG-CD2 4.49Å; N27-F35 PolarHBondContact ND2-O 3.06Å; N27-F35 PolarHBondContact OD1-N 3.45Å; N27-F35 PolarHBondContact OD1-O 2.83Å; L30-F35 HydrophobicContact CD1-CD2 4.14Å; L30-F35 HydrophobicContact CD1-CE2 3.58Å; F35-D39 HydrophobicContact CD1-CB 4.43Å; F35-L40 HydrophobicContact CB-CD2 4.31Å; F35-L40 HydrophobicContact CB-CG 4.44Å; F35-L40 HydrophobicContact CD1-CD2 4Å; F35-L40 HydrophobicContact CG-CD2 4.26Å; F35-I43 HydrophobicContact CE1-CD1 4.34Å; F35-A90 HydrophobicContact CE1-CB 3.83Å; F35-A90 HydrophobicContact CE2-CB 4.39Å; F35-A90 HydrophobicContact CZ-CB 3.72Å; F35-W94 AromaticContact CE2-NE1 3.72Å; F35-W94 AromaticContact CZ-CD1 3.89Å; F35-W94 AromaticContact CZ-NE1 3.42Å
36T91.8Very high91.7Very high61 Ų6143.7 Ų43.737%0.37423%0.229SC..  trans-111.6165.7168.370.30000110.2V38 D39 L40T36-V38 PolarHBondContact O-N 3.21Å; T36-D39 WeakPolarHBondContact CB-OD2 3.14Å; T36-D39 PolarHBondContact N-OD2 2.86Å; T36-D39 PolarHBondContact O-N 3.01Å; T36-D39 VanDerWaalsContact O-N 3.12Å; T36-D39 PolarHBondContact OG1-N 2.93Å; T36-D39 PolarHBondContact OG1-OD2 2.63Å; T36-L40 PolarHBondContact O-N 2.75Å; T36-L40 VanDerWaalsContact O-N 3.14Å
37P88.4Confident91.5Very high46 Ų4644.4 Ų44.430%0.29923%0.233SC..Hα-helixtrans-56.8-33.4174.6-24.635.2000112.7L20 L40 S41L20-P37 HydrophobicContact CD1-CB 4.49Å; L20-P37 HydrophobicContact CD1-CG 3.76Å; L20-P37 HydrophobicContact CD2-CB 4.11Å; L20-P37 HydrophobicContact CD2-CG 4.17Å; P37-L40 PolarHBondContact O-N 2.77Å; P37-S41 VanDerWaalsContact O-CB 3.25Å; P37-S41 WeakPolarHBondContact O-CB 3.47Å; P37-S41 PolarHBondContact O-N 3.21Å
38V90.8Very high91.2Very high102 Ų10245.5 Ų45.562%0.61824%0.239SC*.Hα-helixtrans-68.2-39.7-179.7-177.10000110.8T36 S42T36-V38 PolarHBondContact O-N 3.21Å; V38-S42 WeakPolarHBondContact O-CB 3.2Å; V38-S42 PolarHBondContact O-N 2.98Å; V38-S42 PolarHBondContact O-OG 3.09Å
39D91.6Very high91Very high68 Ų6848.9 Ų48.936%0.36426%0.255SS..Hα-helixtrans-66-45.5177.1-56.9-47.3000110.7F35 T36 S41 S42 I43F35-D39 HydrophobicContact CD1-CB 4.43Å; T36-D39 WeakPolarHBondContact CB-OD2 3.14Å; T36-D39 PolarHBondContact N-OD2 2.86Å; T36-D39 PolarHBondContact O-N 3.01Å; T36-D39 VanDerWaalsContact O-N 3.12Å; T36-D39 PolarHBondContact OG1-N 2.93Å; T36-D39 PolarHBondContact OG1-OD2 2.63Å; D39-S41 PolarHBondContact O-N 3.21Å; D39-S42 WeakPolarHBondContact O-CB 3.43Å; D39-S42 PolarHBondContact O-N 3.03Å; D39-I43 WeakPolarHBondContact O-CG1 3.22Å; D39-I43 PolarHBondContact O-N 3.19Å
40L91.3Very high90.7Very high1 Ų154.2 Ų54.21%0.00528%0.279CS..Hα-helixtrans-65.6-39.3178.4-63.3-176.6000112.3A22 Q23 L26 F35 T36 P37 S42 I43 A44 F82 V86 A90A22-L40 HydrophobicContact CB-CD1 4.21Å; Q23-L40 HydrophobicContact CB-CD1 4.07Å; L26-L40 HydrophobicContact CD1-CD1 4.38Å; L26-L40 HydrophobicContact CD1-CD2 3.65Å; F35-L40 HydrophobicContact CB-CD2 4.31Å; F35-L40 HydrophobicContact CB-CG 4.44Å; F35-L40 HydrophobicContact CD1-CD2 4Å; F35-L40 HydrophobicContact CG-CD2 4.26Å; T36-L40 PolarHBondContact O-N 2.75Å; T36-L40 VanDerWaalsContact O-N 3.14Å; P37-L40 PolarHBondContact O-N 2.77Å; L40-S42 VanDerWaalsContact C-N 3.33Å; L40-I43 HydrophobicContact CD2-CD1 4.42Å; L40-I43 PolarHBondContact O-N 2.86Å; L40-A44 WeakPolarHBondContact O-CB 3.15Å; L40-A44 PolarHBondContact O-N 2.77Å; L40-F82 HydrophobicContact CB-CD1 4.04Å; L40-F82 HydrophobicContact CB-CE1 3.6Å; L40-F82 HydrophobicContact CB-CE2 4.11Å; L40-F82 HydrophobicContact CB-CG 4.46Å; L40-F82 HydrophobicContact CB-CZ 3.63Å; L40-F82 HydrophobicContact CD1-CD2 4.2Å; L40-F82 HydrophobicContact CD1-CE2 4.11Å; L40-F82 HydrophobicContact CD1-CZ 4.47Å; L40-V86 HydrophobicContact CB-CG1 4.32Å; L40-V86 HydrophobicContact CD2-CG1 4.29Å; L40-A90 HydrophobicContact CD2-CB 4.27Å
41S90.6Very high90.5Very high24 Ų2457.1 Ų57.117%0.16829%0.293CS..Hα-helixtrans-62.3-41173.1176.20000111.6P37 D39 I43 A44 H45 M76P37-S41 VanDerWaalsContact O-CB 3.25Å; P37-S41 WeakPolarHBondContact O-CB 3.47Å; P37-S41 PolarHBondContact O-N 3.21Å; D39-S41 PolarHBondContact O-N 3.21Å; S41-I43 VanDerWaalsContact C-N 3.34Å; S41-I43 PolarHBondContact O-N 3.14Å; S41-A44 WeakPolarHBondContact O-CB 3.49Å; S41-A44 PolarHBondContact O-N 2.92Å; S41-H45 PolarHBondContact O-CD2 3.27Å; S41-H45 VanDerWaalsContact O-CD2 3.27Å; S41-H45 PolarHBondContact O-N 3.22Å; S41-M76 VanDerWaalsContact CB-SD 3.59Å; S41-M76 PolarHBondContact OG-SD 2.88Å
42S92.1Very high90.2Very high53 Ų5360.5 Ų60.537%0.37131%0.305SS..Hα-helixtrans-63.3-40.4175.9-59.60000112V38 D39 L40 Q46V38-S42 WeakPolarHBondContact O-CB 3.2Å; V38-S42 PolarHBondContact O-N 2.98Å; V38-S42 PolarHBondContact O-OG 3.09Å; D39-S42 WeakPolarHBondContact O-CB 3.43Å; D39-S42 PolarHBondContact O-N 3.03Å; L40-S42 VanDerWaalsContact C-N 3.33Å; S42-Q46 VanDerWaalsContact O-CG 3.27Å; S42-Q46 WeakPolarHBondContact O-CG 3.43Å; S42-Q46 PolarHBondContact O-N 2.89Å
43I91.8Very high89.9Confident24 Ų2465.1 Ų65.112%0.12333%0.325CS..Hα-helixtrans-65.5-41.9174.7-65.5166.5000110.7F35 D39 L40 S41 Q46 L47 V86 N89 A90F35-I43 HydrophobicContact CE1-CD1 4.34Å; D39-I43 WeakPolarHBondContact O-CG1 3.22Å; D39-I43 PolarHBondContact O-N 3.19Å; L40-I43 HydrophobicContact CD2-CD1 4.42Å; L40-I43 PolarHBondContact O-N 2.86Å; S41-I43 VanDerWaalsContact C-N 3.34Å; S41-I43 PolarHBondContact O-N 3.14Å; I43-Q46 PolarHBondContact O-N 2.75Å; I43-L47 HydrophobicContact CG2-CD1 4.48Å; I43-L47 PolarHBondContact O-N 3.01Å; I43-V86 HydrophobicContact CB-CG1 4.27Å; I43-V86 HydrophobicContact CG2-CG1 4.04Å; I43-N89 HydrophobicContact CG2-CB 3.86Å; I43-A90 HydrophobicContact CD1-CB 4Å
44A91.1Very high89.7Confident0 Ų066.8 Ų66.80%032%0.324CS..Hα-helixtrans-61.1-46.4176.700000111.7L40 S41 Q46 L47 D48 N75 M76 V86L40-A44 WeakPolarHBondContact O-CB 3.15Å; L40-A44 PolarHBondContact O-N 2.77Å; S41-A44 WeakPolarHBondContact O-CB 3.49Å; S41-A44 PolarHBondContact O-N 2.92Å; A44-Q46 VanDerWaalsContact C-N 3.33Å; A44-Q46 PolarHBondContact O-N 3.18Å; A44-L47 WeakPolarHBondContact O-CB 3.35Å; A44-L47 PolarHBondContact O-N 3.01Å; A44-D48 VanDerWaalsContact O-CG 3.24Å; A44-D48 PolarHBondContact O-N 3.46Å; A44-N75 HydrophobicContact CB-CB 3.95Å; A44-M76 HydrophobicContact CB-CB 3.87Å; A44-V86 HydrophobicContact CB-CG2 3.75Å
45H89.8Confident89.2Confident110 Ų11065.2 Ų65.251%0.50932%0.322SS..Hα-helixtrans-63.9-36.6176.4-73.1-41.3000113.4S41 D48 E49S41-H45 PolarHBondContact O-CD2 3.27Å; S41-H45 VanDerWaalsContact O-CD2 3.27Å; S41-H45 PolarHBondContact O-N 3.22Å; H45-D48 PolarHBondContact O-N 2.88Å; H45-E49 WeakPolarHBondContact O-CB 3.2Å; H45-E49 PolarHBondContact O-N 3.43Å
46Q90.9Very high88.7Confident120 Ų12064.9 Ų64.956%0.56132%0.323SS*.Hα-helixtrans-64.2-42.2173.8-74.4171.114.600111.4S42 I43 A44 E49 E50S42-Q46 VanDerWaalsContact O-CG 3.27Å; S42-Q46 WeakPolarHBondContact O-CG 3.43Å; S42-Q46 PolarHBondContact O-N 2.89Å; I43-Q46 PolarHBondContact O-N 2.75Å; A44-Q46 VanDerWaalsContact C-N 3.33Å; A44-Q46 PolarHBondContact O-N 3.18Å; Q46-E49 PolarHBondContact O-N 3.07Å; Q46-E50 WeakPolarHBondContact O-CG 3.39Å; Q46-E50 PolarHBondContact O-N 3.22Å
47L90.7Very high88.3Confident15 Ų1569.8 Ų69.88%0.07934%0.341CS..Hα-helixtrans-61.2-46.7174.9-87172.8000112.1I43 A44 E49 E50 E51 Q85 V86 N89I43-L47 HydrophobicContact CG2-CD1 4.48Å; I43-L47 PolarHBondContact O-N 3.01Å; A44-L47 WeakPolarHBondContact O-CB 3.35Å; A44-L47 PolarHBondContact O-N 3.01Å; L47-E49 VanDerWaalsContact C-N 3.25Å; L47-E49 PolarHBondContact O-N 3.2Å; L47-E50 PolarHBondContact O-N 3.28Å; L47-E51 WeakPolarHBondContact O-CB 3.04Å; L47-E51 WeakPolarHBondContact O-CG 3.45Å; L47-E51 PolarHBondContact O-N 3.47Å; L47-Q85 HydrophobicContact CD1-CB 3.79Å; L47-V86 HydrophobicContact CD1-CG2 4.07Å; L47-N89 WeakPolarHBondContact CD1-ND2 3.29Å; L47-N89 WeakPolarHBondContact CD2-ND2 3.27Å; L47-N89 WeakPolarHBondContact CG-ND2 3.48Å
48D88.8Confident87.6Confident24 Ų2470.8 Ų70.813%0.12836%0.36CS..Hα-helixtrans-59.6-39.3177-63.2-28.7000111.5A44 H45 R52 S73 N75A44-D48 VanDerWaalsContact O-CG 3.24Å; A44-D48 PolarHBondContact O-N 3.46Å; H45-D48 PolarHBondContact O-N 2.88Å; D48-R52 VanDerWaalsContact O-CB 3.28Å; D48-R52 WeakPolarHBondContact O-CB 3.49Å; D48-R52 PolarHBondContact O-N 3.45Å; D48-S73 PolarHBondContact OD1-OG 2.94Å; D48-S73 WeakPolarHBondContact OD2-CB 3.19Å; D48-S73 PolarHBondContact OD2-OG 3.12Å; D48-N75 WeakPolarHBondContact OD1-CB 2.97Å; D48-N75 PolarHBondContact OD1-ND2 3.48Å
49E87.8Confident87Confident72 Ų7267.4 Ų67.434%0.33635%0.345SS..Hα-helixtrans-68.8-41176.9-175.757.7-133.200112.3H45 Q46 L47 R52 M53H45-E49 WeakPolarHBondContact O-CB 3.2Å; H45-E49 PolarHBondContact O-N 3.43Å; Q46-E49 PolarHBondContact O-N 3.07Å; L47-E49 VanDerWaalsContact C-N 3.25Å; L47-E49 PolarHBondContact O-N 3.2Å; E49-R52 VanDerWaalsContact CD-CZ 3.45Å; E49-R52 VanDerWaalsContact CD-NE 3.32Å; E49-R52 WeakPolarHBondContact O-CB 3.48Å; E49-R52 PolarHBondContact O-N 3.47Å; E49-R52 IonicContact OE1-CZ 3.12Å; E49-R52 IonicContact OE1-NE 2.92Å; E49-R52 PolarHBondContact OE1-NE 3.11Å; E49-R52 IonicContact OE1-NH2 3.32Å; E49-R52 PolarHBondContact OE1-NH2 3.43Å; E49-R52 IonicContact OE2-CZ 2.95Å; E49-R52 IonicContact OE2-NE 3.07Å; E49-R52 PolarHBondContact OE2-NE 3.33Å; E49-R52 IonicContact OE2-NH1 3.72Å; E49-R52 IonicContact OE2-NH2 3.74Å; E49-R52 PolarHBondContact OE2-NH2 2.74Å; E49-M53 WeakPolarHBondContact O-CB 3.45Å; E49-M53 VanDerWaalsContact O-CG 3.29Å; E49-M53 WeakPolarHBondContact O-CG 3.41Å; E49-M53 PolarHBondContact O-N 3.2Å; E49-M53 WeakPolarHBondContact OE1-CG 3.11Å
50E88.4Confident86.2Confident111 Ų11170.5 Ų70.552%0.51936%0.359SS..Hα-helixtrans-62.8-43.4174.5-75.3-179.3-178.600111.6Q46 L47 R52 M53 R54Q46-E50 WeakPolarHBondContact O-CG 3.39Å; Q46-E50 PolarHBondContact O-N 3.22Å; L47-E50 PolarHBondContact O-N 3.28Å; E50-R52 VanDerWaalsContact C-N 3.34Å; E50-M53 PolarHBondContact O-N 3.24Å; E50-R54 WeakPolarHBondContact O-CB 3.35Å; E50-R54 WeakPolarHBondContact O-CG 3.43Å; E50-R54 PolarHBondContact O-N 2.83Å
51E87.8Confident85.3Confident62 Ų6275 Ų7529%0.2940%0.397SS..Hα-helixtrans-61.5-43.9173.3-71.7-176.2161.300110.8L47 M53 R54 M55 F68 Q85L47-E51 WeakPolarHBondContact O-CB 3.04Å; L47-E51 WeakPolarHBondContact O-CG 3.45Å; L47-E51 PolarHBondContact O-N 3.47Å; E51-M53 PolarHBondContact O-N 2.97Å; E51-R54 PolarHBondContact O-N 2.99Å; E51-M55 VanDerWaalsContact O-CG 3.27Å; E51-M55 WeakPolarHBondContact O-CG 3.3Å; E51-M55 PolarHBondContact O-N 3.06Å; E51-F68 HydrophobicContact CB-CE2 4.28Å; E51-F68 HydrophobicContact CB-CZ 3.77Å; E51-Q85 PolarHBondContact OE1-NE2 3.49Å; E51-Q85 PolarHBondContact OE1-OE1 2.87Å
52R85.3Confident84.8Confident89 Ų8975.2 Ų75.234%0.33640%0.398SS..Hα-helixtrans-58.5-47.1175.3-166.8-179.475.41580.4112.1D48 E49 E50 M55 A56 Y65 F68 L69D48-R52 VanDerWaalsContact O-CB 3.28Å; D48-R52 WeakPolarHBondContact O-CB 3.49Å; D48-R52 PolarHBondContact O-N 3.45Å; E49-R52 VanDerWaalsContact CD-CZ 3.45Å; E49-R52 VanDerWaalsContact CD-NE 3.32Å; E49-R52 WeakPolarHBondContact O-CB 3.48Å; E49-R52 PolarHBondContact O-N 3.47Å; E49-R52 IonicContact OE1-CZ 3.12Å; E49-R52 IonicContact OE1-NE 2.92Å; E49-R52 PolarHBondContact OE1-NE 3.11Å; E49-R52 IonicContact OE1-NH2 3.32Å; E49-R52 PolarHBondContact OE1-NH2 3.43Å; E49-R52 IonicContact OE2-CZ 2.95Å; E49-R52 IonicContact OE2-NE 3.07Å; E49-R52 PolarHBondContact OE2-NE 3.33Å; E49-R52 IonicContact OE2-NH1 3.72Å; E49-R52 IonicContact OE2-NH2 3.74Å; E49-R52 PolarHBondContact OE2-NH2 2.74Å; E50-R52 VanDerWaalsContact C-N 3.34Å; R52-M55 PolarHBondContact O-N 3.01Å; R52-A56 PolarHBondContact O-N 3.4Å; R52-Y65 HydrophobicContact CG-CE2 3.9Å; R52-Y65 WeakPolarHBondContact O-CE2 3.46Å; R52-F68 HydrophobicContact CB-CD1 4.4Å; R52-F68 HydrophobicContact CB-CE1 3.7Å; R52-F68 HydrophobicContact CG-CD1 4.34Å; R52-F68 HydrophobicContact CG-CE1 4.08Å; R52-L69 HydrophobicContact CG-CD2 4.29Å
53M85.3Confident84.1Confident107 Ų10779.9 Ų79.953%0.52741%0.414SS..Hα-helixtrans-65.5-41.1-179.4-73.6-64.8-68.200111.2E49 E50 E51 M55 A56 E57E49-M53 WeakPolarHBondContact O-CB 3.45Å; E49-M53 VanDerWaalsContact O-CG 3.29Å; E49-M53 WeakPolarHBondContact O-CG 3.41Å; E49-M53 PolarHBondContact O-N 3.2Å; E49-M53 WeakPolarHBondContact OE1-CG 3.11Å; E50-M53 PolarHBondContact O-N 3.24Å; E51-M53 PolarHBondContact O-N 2.97Å; M53-M55 VanDerWaalsContact C-N 3.33Å; M53-M55 PolarHBondContact O-N 2.83Å; M53-A56 WeakPolarHBondContact O-CB 3.48Å; M53-A56 PolarHBondContact O-N 2.92Å; M53-A56 VanDerWaalsContact O-N 3.14Å; M53-E57 PolarHBondContact O-N 2.93Å
54R85.6Confident83.5Confident191 Ų19184.5 Ų84.572%0.72144%0.435SS*.Hα-helixtrans-62.9-37.9173.5-76.5-119.1-79.3-133.6-9112.9E50 E51 A56 E57E50-R54 WeakPolarHBondContact O-CB 3.35Å; E50-R54 WeakPolarHBondContact O-CG 3.43Å; E50-R54 PolarHBondContact O-N 2.83Å; E51-R54 PolarHBondContact O-N 2.99Å; R54-A56 VanDerWaalsContact C-N 3.32Å; R54-E57 WeakPolarHBondContact O-CB 3.41Å; R54-E57 PolarHBondContact O-N 2.77Å
55M81.7Confident83Confident72 Ų7286 Ų8636%0.35544%0.441SS..Hα-helixtrans-68.4-33.5173.9-69.2-68.3-79.600111.9E51 R52 M53 E57 G58 E64 Y65E51-M55 VanDerWaalsContact O-CG 3.27Å; E51-M55 WeakPolarHBondContact O-CG 3.3Å; E51-M55 PolarHBondContact O-N 3.06Å; R52-M55 PolarHBondContact O-N 3.01Å; M53-M55 VanDerWaalsContact C-N 3.33Å; M53-M55 PolarHBondContact O-N 2.83Å; M55-E57 VanDerWaalsContact C-N 3.28Å; M55-E57 PolarHBondContact O-N 2.79Å; M55-G58 PolarHBondContact O-N 2.81Å; M55-G58 VanDerWaalsContact O-N 3.12Å; M55-E64 HydrophobicContact CE-CB 3.98Å; M55-Y65 HydrophobicContact CB-CD2 3.97Å
56A81.3Confident82.6Confident11 Ų1188.5 Ų88.59%0.09145%0.446CS..Hα-helixtrans-65.9-29175.400000112.9R52 M53 R54 G58 G59 M60 Y65R52-A56 PolarHBondContact O-N 3.4Å; M53-A56 WeakPolarHBondContact O-CB 3.48Å; M53-A56 PolarHBondContact O-N 2.92Å; M53-A56 VanDerWaalsContact O-N 3.14Å; R54-A56 VanDerWaalsContact C-N 3.32Å; A56-G58 PolarHBondContact O-N 2.81Å; A56-G59 PolarHBondContact O-N 2.9Å; A56-M60 HydrophobicContact CB-CE 4.15Å; A56-M60 HydrophobicContact CB-CG 3.93Å; A56-Y65 HydrophobicContact CB-CD2 4.31Å; A56-Y65 HydrophobicContact CB-CE2 3.74Å
57E83.7Confident82.1Confident163 Ų16385.7 Ų85.776%0.76244%0.438SS*.Hα-helixtrans-62.9-29.8172.3-64.3177.9167.200112.1M53 R54 M55 G59M53-E57 PolarHBondContact O-N 2.93Å; R54-E57 WeakPolarHBondContact O-CB 3.41Å; R54-E57 PolarHBondContact O-N 2.77Å; M55-E57 VanDerWaalsContact C-N 3.28Å; M55-E57 PolarHBondContact O-N 2.79Å; E57-G59 PolarHBondContact O-N 3.06Å
58G74.5Confident81.6Confident67 Ų6787.3 Ų87.369%0.69144%0.444SS*.THydrogen-bonded Turntrans-74.8-2.1172.200000114.6M55 A56M55-G58 PolarHBondContact O-N 2.81Å; M55-G58 VanDerWaalsContact O-N 3.12Å; A56-G58 PolarHBondContact O-N 2.81Å
59G76.9Confident81.1Confident31 Ų3190.5 Ų90.532%0.3246%0.461SS..  trans108115.5178.700000112.9A56 E57 A61 S62A56-G59 PolarHBondContact O-N 2.9Å; E57-G59 PolarHBondContact O-N 3.06Å; G59-A61 PolarHBondContact O-N 3.05Å; G59-A61 VanDerWaalsContact O-N 3.09Å; G59-S62 VanDerWaalsContact O-CB 3.26Å; G59-S62 WeakPolarHBondContact O-CB 3.48Å; G59-S62 PolarHBondContact O-N 2.97Å; G59-S62 VanDerWaalsContact O-N 3.08Å; G59-S62 PolarHBondContact O-OG 3.4Å
60M74.8Confident80.7Confident133 Ų13394.8 Ų94.866%0.65548%0.481SS*.THydrogen-bonded Turntrans-64.7-14-178.4-60175.3-16900114.9A56 Y65A56-M60 HydrophobicContact CB-CE 4.15Å; A56-M60 HydrophobicContact CB-CG 3.93Å; M60-Y65 HydrophobicContact CB-CD1 4.24Å; M60-Y65 HydrophobicContact CB-CE1 4.16Å; M60-Y65 HydrophobicContact CG-CE1 4.41Å; M60-Y65 VanDerWaalsContact O-CD1 3.25Å; M60-Y65 WeakPolarHBondContact O-CD1 3.28Å
61A72.6Confident80.1Confident96 Ų9695.2 Ų95.279%0.79348%0.483SS*.THydrogen-bonded Turntrans-91.7-3.1177.900000113.2G59G59-A61 PolarHBondContact O-N 3.05Å; G59-A61 VanDerWaalsContact O-N 3.09Å
62S79.8Confident79.5Confident29 Ų2998 Ų9820%0.20351%0.506CS..SBendtrans-67.7150.6-178.973.70000111.7G59 E64 Y65 R66G59-S62 VanDerWaalsContact O-CB 3.26Å; G59-S62 WeakPolarHBondContact O-CB 3.48Å; G59-S62 PolarHBondContact O-N 2.97Å; G59-S62 VanDerWaalsContact O-N 3.08Å; G59-S62 PolarHBondContact O-OG 3.4Å; S62-E64 VanDerWaalsContact CB-OE2 3.28Å; S62-E64 WeakPolarHBondContact CB-OE2 3.18Å; S62-E64 PolarHBondContact O-N 2.89Å; S62-Y65 PolarHBondContact O-N 3.23Å; S62-Y65 VanDerWaalsContact OG-CB 3.3Å; S62-Y65 WeakPolarHBondContact OG-CB 3.36Å; S62-Y65 PolarHBondContact OG-N 2.82Å; S62-Y65 VanDerWaalsContact OG-N 3.12Å; S62-R66 WeakPolarHBondContact O-CG 3.46Å; S62-R66 PolarHBondContact O-N 3.22Å
63E78.3Confident79Confident151 Ų15195.6 Ų95.671%0.70650%0.503SS*.Hα-helixtrans-66-31.9177.4-172.5172.1178.800110.5R66 T67E63-R66 PolarHBondContact O-N 3.11Å; E63-T67 WeakPolarHBondContact O-CB 3.4Å; E63-T67 PolarHBondContact O-N 3.5Å; E63-T67 PolarHBondContact O-OG1 3.26Å
64E79.4Confident78.8Confident120 Ų12093.7 Ų93.756%0.56151%0.51SS*.Hα-helixtrans-64.2-44.8177-61.378.7-174.600111.7M55 S62 T67 F68M55-E64 HydrophobicContact CE-CB 3.98Å; S62-E64 VanDerWaalsContact CB-OE2 3.28Å; S62-E64 WeakPolarHBondContact CB-OE2 3.18Å; S62-E64 PolarHBondContact O-N 2.89Å; E64-T67 PolarHBondContact O-N 3.4Å; E64-F68 WeakPolarHBondContact O-CB 3.42Å; E64-F68 PolarHBondContact O-N 3.36Å
65Y79.9Confident78.7Confident31 Ų3184.8 Ų84.812%0.12248%0.477CS..Hα-helixtrans-65.7-40.3176.6-175.9-105.8000111.8R52 M55 A56 M60 S62 T67 F68 L69R52-Y65 HydrophobicContact CG-CE2 3.9Å; R52-Y65 WeakPolarHBondContact O-CE2 3.46Å; M55-Y65 HydrophobicContact CB-CD2 3.97Å; A56-Y65 HydrophobicContact CB-CD2 4.31Å; A56-Y65 HydrophobicContact CB-CE2 3.74Å; M60-Y65 HydrophobicContact CB-CD1 4.24Å; M60-Y65 HydrophobicContact CB-CE1 4.16Å; M60-Y65 HydrophobicContact CG-CE1 4.41Å; M60-Y65 VanDerWaalsContact O-CD1 3.25Å; M60-Y65 WeakPolarHBondContact O-CD1 3.28Å; S62-Y65 PolarHBondContact O-N 3.23Å; S62-Y65 VanDerWaalsContact OG-CB 3.3Å; S62-Y65 WeakPolarHBondContact OG-CB 3.36Å; S62-Y65 PolarHBondContact OG-N 2.82Å; S62-Y65 VanDerWaalsContact OG-N 3.12Å; Y65-T67 VanDerWaalsContact C-N 3.35Å; Y65-F68 PolarHBondContact O-N 3.22Å; Y65-L69 HydrophobicContact CD1-CD1 3.94Å; Y65-L69 HydrophobicContact CE1-CD1 3.56Å; Y65-L69 HydrophobicContact CE1-CG 4.24Å; Y65-L69 WeakPolarHBondContact O-CG 3.18Å; Y65-L69 PolarHBondContact O-N 3.41Å
66R80.9Confident78.8Confident163 Ų16384 Ų8462%0.61547%0.473SS*.Hα-helixtrans-67.8-35.9177-66.4176.876.8168.43.5112.2S62 E63 Q70S62-R66 WeakPolarHBondContact O-CG 3.46Å; S62-R66 PolarHBondContact O-N 3.22Å; E63-R66 PolarHBondContact O-N 3.11Å; R66-Q70 WeakPolarHBondContact O-CG 3.39Å; R66-Q70 PolarHBondContact O-N 3.48Å
67T80.7Confident78.8Confident62 Ų6286.2 Ų86.238%0.3848%0.483SS..Hα-helixtrans-68.5-44.8175.6-56.80000110.6E63 E64 Y65 L69 Q70 Q71E63-T67 WeakPolarHBondContact O-CB 3.4Å; E63-T67 PolarHBondContact O-N 3.5Å; E63-T67 PolarHBondContact O-OG1 3.26Å; E64-T67 PolarHBondContact O-N 3.4Å; Y65-T67 VanDerWaalsContact C-N 3.35Å; T67-L69 VanDerWaalsContact C-N 3.32Å; T67-L69 PolarHBondContact O-N 3.17Å; T67-Q70 PolarHBondContact O-N 3.14Å; T67-Q71 WeakPolarHBondContact O-CG 3.16Å; T67-Q71 PolarHBondContact O-N 3.34Å; T67-Q71 VanDerWaalsContact O-N 3.13Å
68F79.9Confident78.4Confident48 Ų4887.1 Ų87.121%0.21149%0.494CS..Hα-helixtrans-58-42.6176.4-176.7-93000112.1E51 R52 E64 Y65 Q70 Q71E51-F68 HydrophobicContact CB-CE2 4.28Å; E51-F68 HydrophobicContact CB-CZ 3.77Å; R52-F68 HydrophobicContact CB-CD1 4.4Å; R52-F68 HydrophobicContact CB-CE1 3.7Å; R52-F68 HydrophobicContact CG-CD1 4.34Å; R52-F68 HydrophobicContact CG-CE1 4.08Å; E64-F68 WeakPolarHBondContact O-CB 3.42Å; E64-F68 PolarHBondContact O-N 3.36Å; Y65-F68 PolarHBondContact O-N 3.22Å; F68-Q70 PolarHBondContact O-N 2.64Å; F68-Q71 PolarHBondContact O-N 3.21Å; F68-Q71 VanDerWaalsContact O-N 3.16Å
69L78.3Confident78.7Confident92 Ų9287.3 Ų87.348%0.48248%0.484SS..Hα-helixtrans-63.7-23175.8-74.3174.4000114.6R52 Y65 T67R52-L69 HydrophobicContact CG-CD2 4.29Å; Y65-L69 HydrophobicContact CD1-CD1 3.94Å; Y65-L69 HydrophobicContact CE1-CD1 3.56Å; Y65-L69 HydrophobicContact CE1-CG 4.24Å; Y65-L69 WeakPolarHBondContact O-CG 3.18Å; Y65-L69 PolarHBondContact O-N 3.41Å; T67-L69 VanDerWaalsContact C-N 3.32Å; T67-L69 PolarHBondContact O-N 3.17Å
70Q78.9Confident78.8Confident162 Ų16286.2 Ų86.276%0.75747%0.473SS*.Hα-helixtrans-91.3-16.9178-69.1176.620.900112.4R66 T67 F68R66-Q70 WeakPolarHBondContact O-CG 3.39Å; R66-Q70 PolarHBondContact O-N 3.48Å; T67-Q70 PolarHBondContact O-N 3.14Å; F68-Q70 PolarHBondContact O-N 2.64Å
71Q76.9Confident79.3Confident120 Ų12082.7 Ų82.756%0.56145%0.454SS*.SBendtrans-75.8140.6178.7-75.3178.8-19.400110.3T67 F68T67-Q71 WeakPolarHBondContact O-CG 3.16Å; T67-Q71 PolarHBondContact O-N 3.34Å; T67-Q71 VanDerWaalsContact O-N 3.13Å; F68-Q71 PolarHBondContact O-N 3.21Å; F68-Q71 VanDerWaalsContact O-N 3.16Å
72P75.8Confident80.1Confident119 Ų11978.5 Ų78.577%0.77342%0.418SS*.PPolyproline II helixtrans-62.6160.1168.428.2-32.8000110.1G74P72-G74 PolarHBondContact O-N 3.12Å
73S74.8Confident80.6Confident40 Ų4078.4 Ų78.428%0.2842%0.417SS..PPolyproline II helixtrans-51.6126.3175.5176.30000110.1D48 N75 M76D48-S73 PolarHBondContact OD1-OG 2.94Å; D48-S73 WeakPolarHBondContact OD2-CB 3.19Å; D48-S73 PolarHBondContact OD2-OG 3.12Å; S73-N75 PolarHBondContact OG-N 3.35Å; S73-N75 VanDerWaalsContact OG-N 3.16Å; S73-M76 PolarHBondContact OG-N 2.94Å
74G79.5Confident81.2Confident66 Ų6674 Ų7468%0.6840%0.398SS*.SBendtrans-79.7-11.8171.900000112.6P72P72-G74 PolarHBondContact O-N 3.12Å
75N84Confident81.8Confident5 Ų572 Ų723%0.02739%0.389CS..SBendtrans-97.6-21.7-172.9-73-56.1000113.7A44 D48 S73 S83 Q85 V86A44-N75 HydrophobicContact CB-CB 3.95Å; D48-N75 WeakPolarHBondContact OD1-CB 2.97Å; D48-N75 PolarHBondContact OD1-ND2 3.48Å; S73-N75 PolarHBondContact OG-N 3.35Å; S73-N75 VanDerWaalsContact OG-N 3.16Å; N75-S83 PolarHBondContact O-N 3.19Å; N75-S83 PolarHBondContact OD1-OG 3.06Å; N75-Q85 PolarHBondContact OD1-OE1 3.32Å; N75-V86 HydrophobicContact CB-CG2 3.92Å; N75-V86 WeakPolarHBondContact O-CG2 3.03Å
76M83.5Confident82.4Confident55 Ų5570.6 Ų70.627%0.27138%0.383SS..BIsolated β-bridgetrans-142.2132.5175.8179.3-179176.100110S41 A44 S73 F81 F82S41-M76 VanDerWaalsContact CB-SD 3.59Å; S41-M76 PolarHBondContact OG-SD 2.88Å; A44-M76 HydrophobicContact CB-CB 3.87Å; S73-M76 PolarHBondContact OG-N 2.94Å; M76-F81 WeakPolarHBondContact CA-O 3.39Å; M76-F82 HydrophobicContact CB-CD1 4.33Å; M76-F82 HydrophobicContact CB-CE1 4.27Å; M76-F82 HydrophobicContact CE-CZ 4.48Å; M76-F82 HydrophobicContact CG-CD1 4.34Å; M76-F82 HydrophobicContact CG-CE1 3.9Å; M76-F82 HydrophobicContact SD-CE1 4Å; M76-F82 HydrophobicContact SD-CZ 4.46Å
77D82Confident82.9Confident57 Ų5762.9 Ų62.931%0.30535%0.354SS..  trans-101.1163.6171.294.9-30.1000112.2S79 G80 F81D77-S79 VanDerWaalsContact CG-N 3.33Å; D77-S79 PolarHBondContact O-N 2.99Å; D77-S79 VanDerWaalsContact O-N 3.16Å; D77-S79 WeakPolarHBondContact OD1-CA 3.46Å; D77-S79 WeakPolarHBondContact OD1-CB 3.45Å; D77-S79 PolarHBondContact OD1-N 3.31Å; D77-S79 WeakPolarHBondContact OD2-CB 3.29Å; D77-S79 PolarHBondContact OD2-OG 2.97Å; D77-G80 PolarHBondContact O-N 2.88Å; D77-G80 VanDerWaalsContact O-N 3.15Å; D77-G80 PolarHBondContact OD1-N 2.99Å; D77-F81 PolarHBondContact N-O 3.12Å; D77-F81 VanDerWaalsContact N-O 3.14Å; D77-F81 WeakPolarHBondContact OD1-CB 3.43Å; D77-F81 PolarHBondContact OD1-N 3.49Å; D77-F81 WeakPolarHBondContact OD2-CD2 3.36Å
78D75.9Confident83.5Confident182 Ų18262.1 Ų62.197%0.97335%0.352SS*.THydrogen-bonded Turntrans-67-12.6178.7-66.1-24.8000113
79S80.3Confident84.1Confident71 Ų7161 Ų6150%0.49735%0.348SS..THydrogen-bonded Turntrans-86-15.3176.8-35.90000112.8S19 D77S19-S79 VanDerWaalsContact CB-O 3.27Å; S19-S79 WeakPolarHBondContact CB-O 3.39Å; D77-S79 VanDerWaalsContact CG-N 3.33Å; D77-S79 PolarHBondContact O-N 2.99Å; D77-S79 VanDerWaalsContact O-N 3.16Å; D77-S79 WeakPolarHBondContact OD1-CA 3.46Å; D77-S79 WeakPolarHBondContact OD1-CB 3.45Å; D77-S79 PolarHBondContact OD1-N 3.31Å; D77-S79 WeakPolarHBondContact OD2-CB 3.29Å; D77-S79 PolarHBondContact OD2-OG 2.97Å
80G79.6Confident84.9Confident9 Ų956.7 Ų56.79%0.09333%0.325CS..SBendtrans9715.7-17800000115.3D77 F82D77-G80 PolarHBondContact O-N 2.88Å; D77-G80 VanDerWaalsContact O-N 3.15Å; D77-G80 PolarHBondContact OD1-N 2.99Å; G80-F82 WeakPolarHBondContact O-CD2 3.48Å; G80-F82 WeakPolarHBondContact O-CE2 3.31Å
81F85.5Confident85.5Confident58 Ų5849 Ų4925%0.25429%0.289SS..  trans-79.3139.9169.3-67.6-75.4000111M76 D77 E125M76-F81 WeakPolarHBondContact CA-O 3.39Å; D77-F81 PolarHBondContact N-O 3.12Å; D77-F81 VanDerWaalsContact N-O 3.14Å; D77-F81 WeakPolarHBondContact OD1-CB 3.43Å; D77-F81 PolarHBondContact OD1-N 3.49Å; D77-F81 WeakPolarHBondContact OD2-CD2 3.36Å; F81-E125 HydrophobicContact CD1-CB 3.82Å; F81-E125 VanDerWaalsContact CD1-O 3.27Å; F81-E125 WeakPolarHBondContact CD1-O 3.37Å; F81-E125 HydrophobicContact CE1-CB 3.81Å; F81-E125 VanDerWaalsContact CE1-O 3.31Å; F81-E125 WeakPolarHBondContact CE1-O 3.45Å; F81-E125 HydrophobicContact CG-CB 4.49Å; F81-E125 HydrophobicContact CZ-CB 4.48Å
82F89.4Confident86.3Confident9 Ų950.9 Ų50.94%0.03929%0.291CS..BIsolated β-bridgetrans-118.4142.1178-65.3-83.2000110.7L20 A22 L40 M76 G80 V86 W127L20-F82 HydrophobicContact CD2-CE2 4.26Å; A22-F82 HydrophobicContact CB-CB 3.82Å; A22-F82 HydrophobicContact CB-CD2 3.7Å; A22-F82 HydrophobicContact CB-CG 4.13Å; L40-F82 HydrophobicContact CB-CD1 4.04Å; L40-F82 HydrophobicContact CB-CE1 3.6Å; L40-F82 HydrophobicContact CB-CE2 4.11Å; L40-F82 HydrophobicContact CB-CG 4.46Å; L40-F82 HydrophobicContact CB-CZ 3.63Å; L40-F82 HydrophobicContact CD1-CD2 4.2Å; L40-F82 HydrophobicContact CD1-CE2 4.11Å; L40-F82 HydrophobicContact CD1-CZ 4.47Å; M76-F82 HydrophobicContact CB-CD1 4.33Å; M76-F82 HydrophobicContact CB-CE1 4.27Å; M76-F82 HydrophobicContact CE-CZ 4.48Å; M76-F82 HydrophobicContact CG-CD1 4.34Å; M76-F82 HydrophobicContact CG-CE1 3.9Å; M76-F82 HydrophobicContact SD-CE1 4Å; M76-F82 HydrophobicContact SD-CZ 4.46Å; G80-F82 WeakPolarHBondContact O-CD2 3.48Å; G80-F82 WeakPolarHBondContact O-CE2 3.31Å; F82-V86 HydrophobicContact CB-CB 4.3Å; F82-V86 HydrophobicContact CB-CG1 4.37Å; F82-V86 HydrophobicContact CD1-CG1 4.02Å; F82-V86 HydrophobicContact CD1-CG2 4.44Å; F82-V86 HydrophobicContact CG-CG1 4.48Å; F82-W127 PolarHBondContact O-NE1 2.86Å; F82-W127 VanDerWaalsContact O-NE1 3.14Å
83S89.9Confident86.9Confident26 Ų2651 Ų5118%0.18229%0.29CS..  trans-69.7161.2176.882.70000111.9N75 Q85 V86 I87N75-S83 PolarHBondContact O-N 3.19Å; N75-S83 PolarHBondContact OD1-OG 3.06Å; S83-Q85 PolarHBondContact O-N 3.27Å; S83-Q85 PolarHBondContact OG-N 3.17Å; S83-V86 PolarHBondContact O-N 3.31Å; S83-I87 PolarHBondContact O-N 3.18Å
84I90.6Very high87.6Confident59 Ų5954 Ų5430%0.30330%0.295SS..Hα-helixtrans-55.8-30.9171.6-176.167.1000112.4I87 S88 L98 W127 F170I84-I87 PolarHBondContact O-N 3.38Å; I84-S88 WeakPolarHBondContact O-CB 3.44Å; I84-S88 PolarHBondContact O-N 3.37Å; I84-L98 HydrophobicContact CD1-CD2 3.45Å; I84-L98 VanDerWaalsContact CD1-CD2 3.45Å; I84-L98 HydrophobicContact CG1-CD2 4.25Å; I84-W127 HydrophobicContact CB-CH2 3.78Å; I84-W127 HydrophobicContact CB-CZ2 4.15Å; I84-W127 HydrophobicContact CD1-CH2 3.39Å; I84-W127 HydrophobicContact CD1-CZ2 4.41Å; I84-W127 HydrophobicContact CD1-CZ3 3.63Å; I84-W127 HydrophobicContact CG1-CH2 4.12Å; I84-F170 HydrophobicContact CD1-CD1 4.16Å; I84-F170 HydrophobicContact CD1-CD2 4.12Å; I84-F170 HydrophobicContact CD1-CE1 3.75Å; I84-F170 HydrophobicContact CD1-CE2 3.72Å; I84-F170 HydrophobicContact CD1-CG 4.34Å; I84-F170 HydrophobicContact CD1-CZ 3.52Å; I84-F170 HydrophobicContact CG1-CE1 4.21Å; I84-F170 HydrophobicContact CG1-CZ 4.08Å
85Q90.6Very high88.2Confident79 Ų7953.6 Ų53.637%0.36929%0.291SS..Hα-helixtrans-68.4-39.8-177.9-61-176.8-400111.2L47 E51 N75 S83 I87 S88 N89L47-Q85 HydrophobicContact CD1-CB 3.79Å; E51-Q85 PolarHBondContact OE1-NE2 3.49Å; E51-Q85 PolarHBondContact OE1-OE1 2.87Å; N75-Q85 PolarHBondContact OD1-OE1 3.32Å; S83-Q85 PolarHBondContact O-N 3.27Å; S83-Q85 PolarHBondContact OG-N 3.17Å; Q85-I87 VanDerWaalsContact C-N 3.34Å; Q85-I87 PolarHBondContact O-N 2.9Å; Q85-S88 PolarHBondContact O-N 3.49Å; Q85-N89 PolarHBondContact O-N 3Å
86V92.6Very high88.6Confident0 Ų053.7 Ų53.70%029%0.292CS..Hα-helixtrans-59.8-46.8175.1-179.90000110.2L40 I43 A44 L47 N75 F82 S83 S88 N89 A90L40-V86 HydrophobicContact CB-CG1 4.32Å; L40-V86 HydrophobicContact CD2-CG1 4.29Å; I43-V86 HydrophobicContact CB-CG1 4.27Å; I43-V86 HydrophobicContact CG2-CG1 4.04Å; A44-V86 HydrophobicContact CB-CG2 3.75Å; L47-V86 HydrophobicContact CD1-CG2 4.07Å; N75-V86 HydrophobicContact CB-CG2 3.92Å; N75-V86 WeakPolarHBondContact O-CG2 3.03Å; F82-V86 HydrophobicContact CB-CB 4.3Å; F82-V86 HydrophobicContact CB-CG1 4.37Å; F82-V86 HydrophobicContact CD1-CG1 4.02Å; F82-V86 HydrophobicContact CD1-CG2 4.44Å; F82-V86 HydrophobicContact CG-CG1 4.48Å; S83-V86 PolarHBondContact O-N 3.31Å; V86-S88 PolarHBondContact O-N 2.88Å; V86-N89 PolarHBondContact O-N 3.23Å; V86-A90 WeakPolarHBondContact O-CB 3.3Å; V86-A90 PolarHBondContact O-N 2.84Å
87I93.1Very high89Confident1 Ų156.9 Ų56.91%0.00531%0.306CS..Hα-helixtrans-61.7-45.4177.2-61.4180000110.8A22 L26 S83 I84 Q85 N89 A90 L91 L98 I120 W127A22-I87 HydrophobicContact CB-CD1 4.26Å; A22-I87 HydrophobicContact CB-CG1 4.4Å; L26-I87 HydrophobicContact CD2-CG2 3.96Å; S83-I87 PolarHBondContact O-N 3.18Å; I84-I87 PolarHBondContact O-N 3.38Å; Q85-I87 VanDerWaalsContact C-N 3.34Å; Q85-I87 PolarHBondContact O-N 2.9Å; I87-N89 PolarHBondContact O-N 3.48Å; I87-A90 PolarHBondContact O-N 3.3Å; I87-L91 HydrophobicContact CG2-CD1 4.05Å; I87-L91 WeakPolarHBondContact O-CB 3.48Å; I87-L91 VanDerWaalsContact O-CG 3.29Å; I87-L91 WeakPolarHBondContact O-CG 3.22Å; I87-L91 PolarHBondContact O-N 2.89Å; I87-L98 HydrophobicContact CG2-CD2 4.18Å; I87-I120 HydrophobicContact CG2-CD1 3.98Å; I87-W127 HydrophobicContact CD1-CD2 3.27Å; I87-W127 HydrophobicContact CD1-CE3 3.63Å; I87-W127 HydrophobicContact CD1-CG 3.69Å; I87-W127 HydrophobicContact CD1-CH2 4.19Å; I87-W127 HydrophobicContact CD1-CZ2 3.83Å; I87-W127 HydrophobicContact CD1-CZ3 4.04Å
88S93.4Very high89.5Confident46 Ų4655.4 Ų55.432%0.32230%0.298SS..Hα-helixtrans-60.3-45.6178.4-174.10000112I84 Q85 V86 L91 R92I84-S88 WeakPolarHBondContact O-CB 3.44Å; I84-S88 PolarHBondContact O-N 3.37Å; Q85-S88 PolarHBondContact O-N 3.49Å; V86-S88 PolarHBondContact O-N 2.88Å; S88-L91 PolarHBondContact O-N 3.28Å; S88-R92 WeakPolarHBondContact O-CB 3.47Å; S88-R92 PolarHBondContact O-N 3.28Å
89N92.6Very high90.3Very high26 Ų2648.5 Ų48.514%0.13926%0.26CS..Hα-helixtrans-67.3-40.9177.5-94-12.8000112.9I43 L47 Q85 V86 I87 L91 R92 V93I43-N89 HydrophobicContact CG2-CB 3.86Å; L47-N89 WeakPolarHBondContact CD1-ND2 3.29Å; L47-N89 WeakPolarHBondContact CD2-ND2 3.27Å; L47-N89 WeakPolarHBondContact CG-ND2 3.48Å; Q85-N89 PolarHBondContact O-N 3Å; V86-N89 PolarHBondContact O-N 3.23Å; I87-N89 PolarHBondContact O-N 3.48Å; N89-L91 VanDerWaalsContact C-N 3.3Å; N89-L91 PolarHBondContact O-N 2.89Å; N89-R92 WeakPolarHBondContact O-CB 3.32Å; N89-R92 PolarHBondContact O-N 3.11Å; N89-R92 PolarHBondContact OD1-NE 2.81Å; N89-R92 PolarHBondContact OD1-NH2 2.99Å; N89-V93 PolarHBondContact O-N 2.75Å
90A93.3Very high90.9Very high0 Ų048.4 Ų48.40%025%0.254CS..Hα-helixtrans-57.6-45.6175.400000110.8L26 F35 L40 I43 V86 I87 V93L26-A90 HydrophobicContact CD1-CB 3.85Å; F35-A90 HydrophobicContact CE1-CB 3.83Å; F35-A90 HydrophobicContact CE2-CB 4.39Å; F35-A90 HydrophobicContact CZ-CB 3.72Å; L40-A90 HydrophobicContact CD2-CB 4.27Å; I43-A90 HydrophobicContact CD1-CB 4Å; V86-A90 WeakPolarHBondContact O-CB 3.3Å; V86-A90 PolarHBondContact O-N 2.84Å; I87-A90 PolarHBondContact O-N 3.3Å; A90-V93 PolarHBondContact O-N 2.77Å
91L93.1Very high91.3Very high0 Ų049.3 Ų49.30%026%0.256CS..Hα-helixtrans-67.7-34.6176.7-69.7174.8000113.1L26 L29 I87 S88 N89 V93 W94 G95 L96 L98 I120 I172L26-L91 HydrophobicContact CD2-CD1 4.35Å; L26-L91 HydrophobicContact CD2-CD2 3.67Å; L26-L91 HydrophobicContact CD2-CG 3.8Å; L29-L91 HydrophobicContact CD2-CD1 4.46Å; L29-L91 HydrophobicContact CD2-CD2 3.65Å; I87-L91 HydrophobicContact CG2-CD1 4.05Å; I87-L91 WeakPolarHBondContact O-CB 3.48Å; I87-L91 VanDerWaalsContact O-CG 3.29Å; I87-L91 WeakPolarHBondContact O-CG 3.22Å; I87-L91 PolarHBondContact O-N 2.89Å; S88-L91 PolarHBondContact O-N 3.28Å; N89-L91 VanDerWaalsContact C-N 3.3Å; N89-L91 PolarHBondContact O-N 2.89Å; L91-V93 PolarHBondContact O-N 2.83Å; L91-W94 WeakPolarHBondContact O-CA 3.49Å; L91-W94 WeakPolarHBondContact O-CB 3.3Å; L91-W94 PolarHBondContact O-N 2.73Å; L91-G95 PolarHBondContact O-N 2.85Å; L91-L96 CarbonylContact C-O 3.49Å; L91-L96 HydrophobicContact CB-CB 4.02Å; L91-L96 HydrophobicContact CD2-CB 4.39Å; L91-L96 HydrophobicContact CD2-CD1 3.82Å; L91-L96 WeakPolarHBondContact O-CB 3.4Å; L91-L96 PolarHBondContact O-N 2.86Å; L91-L98 HydrophobicContact CD1-CB 4.35Å; L91-L98 HydrophobicContact CD1-CD1 4.01Å; L91-L98 HydrophobicContact CD1-CD2 4.45Å; L91-I120 HydrophobicContact CD1-CD1 4.01Å; L91-I172 HydrophobicContact CD1-CD1 3.82Å
92R92.3Very high91.4Very high160 Ų16051.5 Ų51.560%0.60427%0.27SS*.Hα-helixtrans-60.8-33.2179-171.2168.668.4175.84.4112.7S88 N89 W94 G95S88-R92 WeakPolarHBondContact O-CB 3.47Å; S88-R92 PolarHBondContact O-N 3.28Å; N89-R92 WeakPolarHBondContact O-CB 3.32Å; N89-R92 PolarHBondContact O-N 3.11Å; N89-R92 PolarHBondContact OD1-NE 2.81Å; N89-R92 PolarHBondContact OD1-NH2 2.99Å; R92-W94 PolarHBondContact O-N 3.02Å; R92-G95 PolarHBondContact O-N 3.34Å
93V89.4Confident91.3Very high123 Ų12351.9 Ų51.975%0.74527%0.274SS*.Hα-helixtrans-60.5-30.5174.8178.30000111.7N89 A90 L91 G95N89-V93 PolarHBondContact O-N 2.75Å; A90-V93 PolarHBondContact O-N 2.77Å; L91-V93 PolarHBondContact O-N 2.83Å; V93-G95 VanDerWaalsContact C-N 3.32Å
94W88.9Confident91Very high101 Ų10155 Ų5538%0.38329%0.293SS..THydrogen-bonded Turntrans-88.23.8176.8-6686.6000113.5L30 Y34 F35 L91 R92 L96L30-W94 HydrophobicContact CD1-CD2 4.2Å; L30-W94 HydrophobicContact CD1-CG 4.45Å; L30-W94 HydrophobicContact CD1-CZ2 4.15Å; L30-W94 HydrophobicContact CD2-CD2 4.49Å; Y34-W94 AromaticContact CD1-CH2 3.39Å; Y34-W94 HydrophobicContact CD1-CH2 3.39Å; Y34-W94 AromaticContact CD1-CZ2 3.47Å; Y34-W94 HydrophobicContact CD1-CZ2 3.47Å; Y34-W94 VanDerWaalsContact CD1-CZ2 3.47Å; Y34-W94 AromaticContact CE1-CH2 3.44Å; Y34-W94 HydrophobicContact CE1-CH2 3.44Å; Y34-W94 VanDerWaalsContact CE1-CH2 3.44Å; Y34-W94 HydrophobicContact CE1-CZ2 4.04Å; Y34-W94 HydrophobicContact CE1-CZ3 4.36Å; Y34-W94 HydrophobicContact CG-CH2 4.05Å; Y34-W94 AromaticContact CG-CZ2 3.81Å; Y34-W94 HydrophobicContact CG-CZ2 3.81Å; F35-W94 AromaticContact CE2-NE1 3.72Å; F35-W94 AromaticContact CZ-CD1 3.89Å; F35-W94 AromaticContact CZ-NE1 3.42Å; L91-W94 WeakPolarHBondContact O-CA 3.49Å; L91-W94 WeakPolarHBondContact O-CB 3.3Å; L91-W94 PolarHBondContact O-N 2.73Å; R92-W94 PolarHBondContact O-N 3.02Å; W94-L96 HydrophobicContact CB-CD1 4.01Å; W94-L96 HydrophobicContact CB-CG 4Å; W94-L96 PolarHBondContact O-N 3.33Å
95G91.4Very high90.6Very high59 Ų5958.5 Ų58.561%0.60831%0.308SS*.THydrogen-bonded Turntrans6724.7-172.900000113L91 R92 V93L91-G95 PolarHBondContact O-N 2.85Å; R92-G95 PolarHBondContact O-N 3.34Å; V93-G95 VanDerWaalsContact C-N 3.32Å
96L93.8Very high90.2Very high7 Ų755.1 Ų55.14%0.03729%0.292CS..  trans-97.9138.9175.2-59.7173.4000109.6L30 L91 W94 I172 R173 L176L30-L96 HydrophobicContact CD2-CD1 3.9Å; L91-L96 CarbonylContact C-O 3.49Å; L91-L96 HydrophobicContact CB-CB 4.02Å; L91-L96 HydrophobicContact CD2-CB 4.39Å; L91-L96 HydrophobicContact CD2-CD1 3.82Å; L91-L96 WeakPolarHBondContact O-CB 3.4Å; L91-L96 PolarHBondContact O-N 2.86Å; W94-L96 HydrophobicContact CB-CD1 4.01Å; W94-L96 HydrophobicContact CB-CG 4Å; W94-L96 PolarHBondContact O-N 3.33Å; L96-I172 HydrophobicContact CB-CG2 4.2Å; L96-I172 HydrophobicContact CD1-CG2 4.33Å; L96-I172 HydrophobicContact CD2-CG2 4.29Å; L96-R173 CarbonylContact C-O 3.49Å; L96-R173 WeakPolarHBondContact CA-O 3.22Å; L96-L176 HydrophobicContact CD1-CD2 3.73Å; L96-L176 HydrophobicContact CD2-CD2 4.11Å; L96-L176 HydrophobicContact CD2-CG 4.45Å
97E92.3Very high89.7Confident122 Ų12259.9 Ų59.957%0.5732%0.315SS*.EExtended strand (participates in β ladder)trans-111.2136.7178.7-172.2-178-172.100110.2I99 I172 R173E97-I99 HydrophobicContact CG-CD1 4.33Å; E97-I99 HydrophobicContact CG-CG1 3.92Å; E97-I172 WeakPolarHBondContact O-CA 3.28Å; E97-R173 HydrophobicContact CB-CB 4.29Å; E97-R173 PolarHBondContact N-O 3.19Å; E97-R173 PolarHBondContact O-N 2.92Å
98L92.6Very high89.2Confident26 Ų2668.5 Ų68.514%0.13635%0.347CS..EExtended strand (participates in β ladder)trans-106.4105.8-178-171.568.1000109.6I84 I87 L91 I120 F170 I172I84-L98 HydrophobicContact CD1-CD2 3.45Å; I84-L98 VanDerWaalsContact CD1-CD2 3.45Å; I84-L98 HydrophobicContact CG1-CD2 4.25Å; I87-L98 HydrophobicContact CG2-CD2 4.18Å; L91-L98 HydrophobicContact CD1-CB 4.35Å; L91-L98 HydrophobicContact CD1-CD1 4.01Å; L91-L98 HydrophobicContact CD1-CD2 4.45Å; L98-I120 HydrophobicContact CD1-CB 4.49Å; L98-I120 HydrophobicContact CD1-CD1 4.32Å; L98-F170 HydrophobicContact CD1-CB 3.39Å; L98-F170 HydrophobicContact CD1-CG 4.08Å; L98-F170 HydrophobicContact CG-CB 3.94Å; L98-F170 HydrophobicContact CG-CD1 4.14Å; L98-F170 HydrophobicContact CG-CG 4.2Å; L98-I172 HydrophobicContact CD1-CD1 3.23Å
99I92.4Very high88.7Confident36 Ų3671.7 Ų71.719%0.18536%0.36CS..EExtended strand (participates in β ladder)trans-113130.5-174.8-55.2178000109.8E97 F101 Y106 F170 V171 R173E97-I99 HydrophobicContact CG-CD1 4.33Å; E97-I99 HydrophobicContact CG-CG1 3.92Å; I99-F101 PolarHBondContact O-N 3.41Å; I99-Y106 HydrophobicContact CG2-CD2 4.47Å; I99-F170 CarbonylContact O-C 3.48Å; I99-F170 VanDerWaalsContact O-CA 3.3Å; I99-F170 WeakPolarHBondContact O-CA 3.36Å; I99-V171 PolarHBondContact N-O 3.47Å; I99-V171 PolarHBondContact O-N 3.02Å; I99-R173 HydrophobicContact CD1-CB 4.43Å; I99-R173 HydrophobicContact CD1-CG 3.77Å
100L92Very high87.9Confident70 Ų7078.3 Ų78.337%0.36639%0.392SS..EExtended strand (participates in β ladder)trans-64.4128.5175.7-172.172.4000110.7N102 S103 F170L100-N102 VanDerWaalsContact C-N 3.28Å; L100-N102 HydrophobicContact CD2-CB 4.5Å; L100-N102 PolarHBondContact O-N 3.31Å; L100-S103 WeakPolarHBondContact O-CB 3.47Å; L100-S103 PolarHBondContact O-N 3.04Å; L100-S103 PolarHBondContact O-OG 3.38Å; L100-F170 HydrophobicContact CB-CD1 4.29Å; L100-F170 HydrophobicContact CB-CE1 4.32Å; L100-F170 HydrophobicContact CD1-CD1 3.86Å; L100-F170 HydrophobicContact CD1-CE1 3.46Å; L100-F170 VanDerWaalsContact CD1-CE1 3.46Å; L100-F170 HydrophobicContact CD1-CZ 3.86Å; L100-F170 HydrophobicContact CG-CE1 4.5Å
101F89.1Confident87.3Confident28 Ų2880.8 Ų80.812%0.12341%0.405CS..THydrogen-bonded Turntrans-62.3-35.8-179-174.1-78.6000112.3I99 S103 Y106 P113 F119 L159 I169 V171I99-F101 PolarHBondContact O-N 3.41Å; F101-S103 PolarHBondContact O-N 3.49Å; F101-Y106 HydrophobicContact CD2-CD1 4.32Å; F101-Y106 AromaticContact CD2-CE1 3.75Å; F101-Y106 HydrophobicContact CD2-CE1 3.75Å; F101-Y106 AromaticContact CE2-CE1 3.77Å; F101-Y106 HydrophobicContact CE2-CE1 3.77Å; F101-Y106 HydrophobicContact CG-CD1 4.44Å; F101-Y106 HydrophobicContact CG-CE1 4.31Å; F101-Y106 HydrophobicContact CZ-CE1 4.33Å; F101-Y106 WeakPolarHBondContact O-CD1 3.38Å; F101-P113 HydrophobicContact CE2-CB 4.34Å; F101-P113 HydrophobicContact CE2-CG 4.02Å; F101-P113 HydrophobicContact CZ-CG 3.97Å; F101-F119 HydrophobicContact CD2-CE1 4.1Å; F101-F119 HydrophobicContact CE2-CE1 4.27Å; F101-L159 HydrophobicContact CE2-CD1 4.42Å; F101-I169 HydrophobicContact CB-CB 3.94Å; F101-I169 HydrophobicContact CB-CG2 4Å; F101-I169 VanDerWaalsContact CB-O 3.22Å; F101-I169 WeakPolarHBondContact CB-O 3.29Å; F101-I169 HydrophobicContact CD2-CG2 4.41Å; F101-I169 HydrophobicContact CG-CG2 4.35Å; F101-I169 PolarHBondContact N-O 3.07Å; F101-V171 HydrophobicContact CB-CG2 4.05Å; F101-V171 HydrophobicContact CD2-CG2 3.66Å; F101-V171 HydrophobicContact CG-CG2 4.3Å
102N86.5Confident86.9Confident104 Ų10485.5 Ų85.556%0.55643%0.43SS*.THydrogen-bonded Turntrans-838177.5-164.427000113.1L100 Q107L100-N102 VanDerWaalsContact C-N 3.28Å; L100-N102 HydrophobicContact CD2-CB 4.5Å; L100-N102 PolarHBondContact O-N 3.31Å; N102-Q107 PolarHBondContact OD1-NE2 2.92Å
103S87.2Confident86.5Confident17 Ų1779.3 Ų79.312%0.11941%0.41CS..  trans-65.9139176.263.80000110.3L100 F101 E105 Y106 Q107L100-S103 WeakPolarHBondContact O-CB 3.47Å; L100-S103 PolarHBondContact O-N 3.04Å; L100-S103 PolarHBondContact O-OG 3.38Å; F101-S103 PolarHBondContact O-N 3.49Å; S103-E105 PolarHBondContact O-N 3.07Å; S103-E105 VanDerWaalsContact O-N 3.15Å; S103-Y106 PolarHBondContact O-N 2.87Å; S103-Y106 VanDerWaalsContact O-N 3.11Å; S103-Y106 WeakPolarHBondContact OG-CB 3.22Å; S103-Y106 PolarHBondContact OG-N 3.04Å; S103-Q107 PolarHBondContact O-N 2.75Å
104P83.3Confident86.3Confident90 Ų9076.3 Ų76.358%0.58439%0.389SS*.Hα-helixtrans-59-26.4175.5-24.633.3000112.9R108P104-R108 WeakPolarHBondContact O-CB 3.39Å; P104-R108 WeakPolarHBondContact O-CG 3.46Å; P104-R108 PolarHBondContact O-N 2.81Å; P104-R108 PolarHBondContact O-NE 2.94Å
105E82.1Confident86.2Confident133 Ų13376.4 Ų76.462%0.62140%0.398SS*.Hα-helixtrans-66.2-50.4174.4-71.2164.2-170.900111.2S103 R108 L109S103-E105 PolarHBondContact O-N 3.07Å; S103-E105 VanDerWaalsContact O-N 3.15Å; E105-R108 PolarHBondContact O-N 2.98Å; E105-L109 WeakPolarHBondContact O-CG 3.44Å; E105-L109 PolarHBondContact O-N 3.19Å
106Y82.3Confident86.1Confident9 Ų973.9 Ų73.94%0.03537%0.37CS..Hα-helixtrans-65.4-41.7179.5-170-94.2000112.3I99 F101 S103 R108 L109 E116 V171I99-Y106 HydrophobicContact CG2-CD2 4.47Å; F101-Y106 HydrophobicContact CD2-CD1 4.32Å; F101-Y106 AromaticContact CD2-CE1 3.75Å; F101-Y106 HydrophobicContact CD2-CE1 3.75Å; F101-Y106 AromaticContact CE2-CE1 3.77Å; F101-Y106 HydrophobicContact CE2-CE1 3.77Å; F101-Y106 HydrophobicContact CG-CD1 4.44Å; F101-Y106 HydrophobicContact CG-CE1 4.31Å; F101-Y106 HydrophobicContact CZ-CE1 4.33Å; F101-Y106 WeakPolarHBondContact O-CD1 3.38Å; S103-Y106 PolarHBondContact O-N 2.87Å; S103-Y106 VanDerWaalsContact O-N 3.11Å; S103-Y106 WeakPolarHBondContact OG-CB 3.22Å; S103-Y106 PolarHBondContact OG-N 3.04Å; Y106-R108 VanDerWaalsContact C-N 3.34Å; Y106-R108 PolarHBondContact O-N 3.15Å; Y106-L109 PolarHBondContact O-N 3.37Å; Y106-E116 WeakPolarHBondContact OH-CG 3.37Å; Y106-E116 PolarHBondContact OH-OE1 3.41Å; Y106-V171 HydrophobicContact CD2-CG2 4.24Å; Y106-V171 HydrophobicContact CE1-CG2 4.1Å; Y106-V171 HydrophobicContact CE2-CB 4.02Å; Y106-V171 HydrophobicContact CE2-CG1 3.9Å; Y106-V171 HydrophobicContact CE2-CG2 3.71Å
107Q82.3Confident86Confident100 Ų10077.9 Ų77.947%0.46739%0.387SS..Hα-helixtrans-64.3-36.1178.8-71.5178.5-6.500113.1N102 S103 L109 M110N102-Q107 PolarHBondContact OD1-NE2 2.92Å; S103-Q107 PolarHBondContact O-N 2.75Å; Q107-L109 PolarHBondContact O-N 2.89Å; Q107-M110 PolarHBondContact O-N 3.5Å; Q107-M110 VanDerWaalsContact O-N 3.17Å
108R83.8Confident86.1Confident182 Ų18272.1 Ų72.169%0.68736%0.36SS*.Hα-helixtrans-64.4-28.2177.1-82.5-179.3-71.4161.1-6113.2P104 E105 Y106 M110P104-R108 WeakPolarHBondContact O-CB 3.39Å; P104-R108 WeakPolarHBondContact O-CG 3.46Å; P104-R108 PolarHBondContact O-N 2.81Å; P104-R108 PolarHBondContact O-NE 2.94Å; E105-R108 PolarHBondContact O-N 2.98Å; Y106-R108 VanDerWaalsContact C-N 3.34Å; Y106-R108 PolarHBondContact O-N 3.15Å; R108-M110 PolarHBondContact O-N 3.22Å
109L81.8Confident86.2Confident112 Ų11270.9 Ų70.959%0.58635%0.353SS*.THydrogen-bonded Turntrans-72.9-14.5178.8-62.3168.3000112.5E105 Y106 Q107 I111E105-L109 WeakPolarHBondContact O-CG 3.44Å; E105-L109 PolarHBondContact O-N 3.19Å; Y106-L109 PolarHBondContact O-N 3.37Å; Q107-L109 PolarHBondContact O-N 2.89Å; L109-I111 HydrophobicContact CB-CD1 3.6Å; L109-I111 HydrophobicContact CB-CG1 3.69Å; L109-I111 HydrophobicContact CD1-CD1 3.91Å; L109-I111 HydrophobicContact CG-CD1 4.32Å; L109-I111 PolarHBondContact O-N 3.49Å; L109-I111 VanDerWaalsContact O-N 3.09Å
110M75.9Confident86.4Confident166 Ų16669.1 Ų69.182%0.81835%0.345SS*.THydrogen-bonded Turntrans46.139.5-178.1-65.9-150.5171.800113.3Q107 R108Q107-M110 PolarHBondContact O-N 3.5Å; Q107-M110 VanDerWaalsContact O-N 3.17Å; R108-M110 PolarHBondContact O-N 3.22Å
111I81.9Confident86.6Confident52 Ų5265.8 Ų65.827%0.26733%0.327SS..  trans-78.9128.3-178-63.1170.7000108.7L109 P113 E116L109-I111 HydrophobicContact CB-CD1 3.6Å; L109-I111 HydrophobicContact CB-CG1 3.69Å; L109-I111 HydrophobicContact CD1-CD1 3.91Å; L109-I111 HydrophobicContact CG-CD1 4.32Å; L109-I111 PolarHBondContact O-N 3.49Å; L109-I111 VanDerWaalsContact O-N 3.09Å; I111-P113 WeakPolarHBondContact O-CD 3.31Å; I111-E116 VanDerWaalsContact CG2-OE1 3.22Å; I111-E116 WeakPolarHBondContact CG2-OE1 3.35Å
112N82.8Confident86.8Confident99 Ų9965.7 Ų65.753%0.52933%0.328SS..  trans-64.3124.7175.2-70.4-43.3000109.8I114 N115N112-I114 HydrophobicContact CB-CG1 3.89Å; N112-I114 PolarHBondContact O-N 3.29Å; N112-N115 WeakPolarHBondContact O-CB 3.45Å; N112-N115 PolarHBondContact O-N 3.01Å
113P83.9Confident86.9Confident29 Ų2964.2 Ų64.219%0.18832%0.315CS..G310 helixtrans-55.9-27.7-177.4-27.935.2000114.4F101 I111 N115 E116 F119 L159F101-P113 HydrophobicContact CE2-CB 4.34Å; F101-P113 HydrophobicContact CE2-CG 4.02Å; F101-P113 HydrophobicContact CZ-CG 3.97Å; I111-P113 WeakPolarHBondContact O-CD 3.31Å; P113-N115 PolarHBondContact O-N 2.77Å; P113-E116 WeakPolarHBondContact O-CB 3.43Å; P113-E116 PolarHBondContact O-N 3.36Å; P113-F119 HydrophobicContact CB-CZ 4.06Å; P113-F119 WeakPolarHBondContact O-CZ 3.39Å; P113-L159 HydrophobicContact CB-CD1 3.79Å; P113-L159 HydrophobicContact CG-CD1 4.48Å
114I85.3Confident86.8Confident60 Ų6071 Ų7131%0.30834%0.342SS..G310 helixtrans-64.8-1917858.3161.8000114.5N112 K132 D152 L155N112-I114 HydrophobicContact CB-CG1 3.89Å; N112-I114 PolarHBondContact O-N 3.29Å; I114-K132 PolarHBondContact O-NZ 2.9Å; I114-D152 HydrophobicContact CG2-CB 4.32Å; I114-L155 HydrophobicContact CG2-CD2 4.08Å
115N86.9Confident86.8Confident104 Ų10472.6 Ų72.656%0.55634%0.342SS*.G310 helixtrans-87.9-11.2-179.6-68.9-17.6000112.5N112 P113N112-N115 WeakPolarHBondContact O-CB 3.45Å; N112-N115 PolarHBondContact O-N 3.01Å; P113-N115 PolarHBondContact O-N 2.77Å
116E90.9Very high87.2Confident5 Ų567.9 Ų67.92%0.02332%0.32CS..  trans-71.1163.6173.4-61-53.4142.100111.4Y106 I111 P113 F119 W137 V171 R173Y106-E116 WeakPolarHBondContact OH-CG 3.37Å; Y106-E116 PolarHBondContact OH-OE1 3.41Å; I111-E116 VanDerWaalsContact CG2-OE1 3.22Å; I111-E116 WeakPolarHBondContact CG2-OE1 3.35Å; P113-E116 WeakPolarHBondContact O-CB 3.43Å; P113-E116 PolarHBondContact O-N 3.36Å; E116-F119 HydrophobicContact CB-CE1 4.03Å; E116-F119 HydrophobicContact CB-CE2 4.06Å; E116-F119 HydrophobicContact CB-CZ 3.52Å; E116-F119 HydrophobicContact CG-CE1 3.88Å; E116-F119 HydrophobicContact CG-CZ 3.64Å; E116-W137 HydrophobicContact CB-CH2 4.13Å; E116-W137 WeakPolarHBondContact O-CH2 3.25Å; E116-W137 WeakPolarHBondContact O-CZ2 3.45Å; E116-V171 HydrophobicContact CB-CG1 4.27Å; E116-V171 HydrophobicContact CG-CG1 3.66Å; E116-V171 WeakPolarHBondContact OE2-CG1 3.27Å; E116-R173 IonicContact OE1-CZ 3.12Å; E116-R173 IonicContact OE1-NE 3.59Å; E116-R173 IonicContact OE1-NH1 2.75Å; E116-R173 PolarHBondContact OE1-NH1 3.22Å; E116-R173 IonicContact OE1-NH2 3.63Å; E116-R173 PolarHBondContact OE1-NH2 2.72Å; E116-R173 IonicContact OE2-CZ 3.63Å; E116-R173 IonicContact OE2-NE 2.77Å; E116-R173 IonicContact OE2-NH1 2.63Å; E116-R173 PolarHBondContact OE2-NH1 3.14Å; E116-R173 IonicContact OE2-NH2 2.92Å
117K91.1Very high87.7Confident92 Ų9268.1 Ų68.140%0.432%0.321SS..SBendtrans-95-36.9177-61.8-176.7-177.8173.60112.1K132 G174 N175 L176K117-K132 WeakPolarHBondContact O-CB 3.5Å; K117-K132 PolarHBondContact O-N 3.42Å; K117-G174 PolarHBondContact NZ-O 2.82Å; K117-N175 PolarHBondContact NZ-OD1 3.15Å; K117-L176 HydrophobicContact CB-CD1 3.77Å
118A94.4Very high88.3Confident0 Ų063.7 Ų63.70%030%0.3CS..EExtended strand (participates in β ladder)trans-159.4158.2-179.200000113L29 I130 R131 I172 L176L29-A118 HydrophobicContact CD1-CB 3.3Å; A118-I130 CarbonylContact C-O 3.56Å; A118-I130 VanDerWaalsContact CA-O 3.25Å; A118-I130 WeakPolarHBondContact CA-O 3.48Å; A118-R131 HydrophobicContact CB-CB 4.26Å; A118-R131 HydrophobicContact CB-CG 4.29Å; A118-I172 HydrophobicContact CB-CB 4.2Å; A118-I172 HydrophobicContact CB-CG1 4.16Å; A118-I172 PolarHBondContact O-N 2.55Å; A118-L176 HydrophobicContact CB-CD1 3.97Å
119F95.1Very high88.9Confident0 Ų055 Ų550%027%0.267CS..EExtended strand (participates in β ladder)trans-129.9146.1172.3-55.8-79.7000109.8F101 P113 E116 I130 W137 L155 L159 I169 F170 V171F101-F119 HydrophobicContact CD2-CE1 4.1Å; F101-F119 HydrophobicContact CE2-CE1 4.27Å; P113-F119 HydrophobicContact CB-CZ 4.06Å; P113-F119 WeakPolarHBondContact O-CZ 3.39Å; E116-F119 HydrophobicContact CB-CE1 4.03Å; E116-F119 HydrophobicContact CB-CE2 4.06Å; E116-F119 HydrophobicContact CB-CZ 3.52Å; E116-F119 HydrophobicContact CG-CE1 3.88Å; E116-F119 HydrophobicContact CG-CZ 3.64Å; F119-I130 HydrophobicContact CB-CB 4.31Å; F119-I130 PolarHBondContact N-O 3.07Å; F119-I130 PolarHBondContact O-N 3.33Å; F119-W137 HydrophobicContact CD2-CE3 4.5Å; F119-W137 AromaticContact CD2-CH2 3.85Å; F119-W137 HydrophobicContact CD2-CH2 3.85Å; F119-W137 AromaticContact CD2-CZ3 3.61Å; F119-W137 HydrophobicContact CD2-CZ3 3.61Å; F119-W137 AromaticContact CE2-CH2 3.33Å; F119-W137 HydrophobicContact CE2-CH2 3.33Å; F119-W137 HydrophobicContact CE2-CZ2 4.11Å; F119-W137 AromaticContact CE2-CZ3 3.58Å; F119-W137 HydrophobicContact CE2-CZ3 3.58Å; F119-W137 HydrophobicContact CZ-CH2 4.25Å; F119-L155 HydrophobicContact CE2-CD2 4.43Å; F119-L159 HydrophobicContact CD2-CD1 4.47Å; F119-L159 HydrophobicContact CE2-CD1 4.06Å; F119-L159 HydrophobicContact CZ-CD1 4.08Å; F119-I169 HydrophobicContact CB-CG2 4.44Å; F119-I169 HydrophobicContact CD1-CG2 4.3Å; F119-F170 CarbonylContact C-O 3.54Å; F119-F170 WeakPolarHBondContact CA-O 3.42Å; F119-V171 HydrophobicContact CD1-CB 4.24Å; F119-V171 HydrophobicContact CD1-CG1 4.26Å; F119-V171 HydrophobicContact CD1-CG2 3.84Å; F119-V171 HydrophobicContact CE1-CB 4.23Å; F119-V171 HydrophobicContact CE1-CG1 3.93Å; F119-V171 HydrophobicContact CE1-CG2 3.68Å
120I96.2Very high89.5Confident0 Ų049.7 Ų49.70%024%0.239CC..EExtended strand (participates in β ladder)trans-110.1135.7163.7-72.2180000107.3L29 I87 L91 L98 W127 F128 F170 I172L29-I120 HydrophobicContact CD2-CD1 3.82Å; L29-I120 HydrophobicContact CD2-CG1 4.2Å; I87-I120 HydrophobicContact CG2-CD1 3.98Å; L91-I120 HydrophobicContact CD1-CD1 4.01Å; L98-I120 HydrophobicContact CD1-CB 4.49Å; L98-I120 HydrophobicContact CD1-CD1 4.32Å; I120-W127 HydrophobicContact CG2-CE3 3.66Å; I120-W127 HydrophobicContact CG2-CZ3 4.09Å; I120-F128 WeakPolarHBondContact CA-O 3.1Å; I120-F170 HydrophobicContact CB-CB 4.49Å; I120-F170 PolarHBondContact N-O 3.04Å; I120-F170 PolarHBondContact O-N 2.92Å; I120-I172 HydrophobicContact CB-CD1 4.38Å; I120-I172 HydrophobicContact CD1-CD1 3.76Å; I120-I172 HydrophobicContact CG1-CD1 3.85Å; I120-I172 HydrophobicContact CG1-CG1 4.27Å
121C94.9Very high90.4Very high0 Ų041.9 Ų41.90%020%0.201CC..EExtended strand (participates in β ladder)trans-119.4140.6177.5-64.90000109.8W127 F128 L162 Y167 S168C121-W127 WeakPolarHBondContact O-CA 3.48Å; C121-F128 HydrophobicContact CB-CD1 3.92Å; C121-F128 HydrophobicContact CB-CD2 4.18Å; C121-F128 HydrophobicContact CB-CE1 3.33Å; C121-F128 HydrophobicContact CB-CE2 3.65Å; C121-F128 HydrophobicContact CB-CG 4.31Å; C121-F128 HydrophobicContact CB-CZ 3.2Å; C121-F128 PolarHBondContact N-O 3.23Å; C121-F128 PolarHBondContact O-N 2.9Å; C121-L162 HydrophobicContact CB-CD1 4.49Å; C121-Y167 HydrophobicContact CB-CD1 4.45Å; C121-S168 WeakPolarHBondContact CA-O 3.47Å
122N93.5Very high90.9Very high26 Ų2642.1 Ų42.114%0.13920%0.2CC..EExtended strand (participates in β ladder)trans-119.1133.4171.5-172.7-74.6000110.8H126 W127 Y167 S168 F170N122-H126 VanDerWaalsContact CA-O 3.3Å; N122-H126 WeakPolarHBondContact CA-O 3.45Å; N122-W127 HydrophobicContact CB-CD2 4.24Å; N122-W127 HydrophobicContact CB-CE3 3.67Å; N122-W127 HydrophobicContact CB-CH2 3.8Å; N122-W127 HydrophobicContact CB-CZ2 4.4Å; N122-W127 HydrophobicContact CB-CZ3 3.46Å; N122-W127 VanDerWaalsContact CB-CZ3 3.46Å; N122-W127 WeakPolarHBondContact ND2-CH2 3.45Å; N122-W127 WeakPolarHBondContact ND2-CZ2 3Å; N122-Y167 CarbonylContact O-C 3.47Å; N122-Y167 VanDerWaalsContact O-CA 3.28Å; N122-Y167 WeakPolarHBondContact O-CA 3.17Å; N122-S168 PolarHBondContact N-O 2.9Å; N122-S168 PolarHBondContact O-N 2.64Å; N122-F170 HydrophobicContact CB-CE2 4.47Å
123Y89.9Confident91.2Very high72 Ų7237.4 Ų37.428%0.28218%0.175SC..EExtended strand (participates in β ladder)trans-141.2123.3165.5178.9-101.6000111.6E125 H126 E165 Y167Y123-E125 PolarHBondContact O-N 2.98Å; Y123-H126 PolarHBondContact N-O 2.91Å; Y123-H126 WeakPolarHBondContact O-CB 3.39Å; Y123-H126 PolarHBondContact O-N 3.45Å; Y123-E165 WeakPolarHBondContact CE2-O 3.45Å; Y123-Y167 VanDerWaalsContact CB-CZ 3.4Å; Y123-Y167 HydrophobicContact CD1-CE1 4.37Å; Y123-Y167 HydrophobicContact CD1-CE2 4.26Å; Y123-Y167 AromaticContact CD1-CZ 3.85Å; Y123-Y167 HydrophobicContact CD2-CD1 4.27Å; Y123-Y167 AromaticContact CD2-CD2 3.37Å; Y123-Y167 HydrophobicContact CD2-CD2 3.37Å; Y123-Y167 HydrophobicContact CD2-CE1 4.09Å; Y123-Y167 AromaticContact CD2-CE2 3.16Å; Y123-Y167 HydrophobicContact CD2-CE2 3.16Å; Y123-Y167 AromaticContact CD2-CG 3.91Å; Y123-Y167 HydrophobicContact CD2-CG 3.91Å; Y123-Y167 AromaticContact CD2-CZ 3.54Å; Y123-Y167 HydrophobicContact CE2-CD2 4.02Å; Y123-Y167 AromaticContact CE2-CE2 3.6Å; Y123-Y167 HydrophobicContact CE2-CE2 3.6Å; Y123-Y167 HydrophobicContact CG-CD1 4.11Å; Y123-Y167 AromaticContact CG-CD2 3.97Å; Y123-Y167 HydrophobicContact CG-CD2 3.97Å; Y123-Y167 AromaticContact CG-CE1 3.65Å; Y123-Y167 HydrophobicContact CG-CE1 3.65Å; Y123-Y167 AromaticContact CG-CE2 3.53Å; Y123-Y167 HydrophobicContact CG-CE2 3.53Å; Y123-Y167 HydrophobicContact CG-CG 4.23Å; Y123-Y167 AromaticContact CG-CZ 3.33Å
124K85.1Confident91.3Very high160 Ų16037 Ų3770%0.69618%0.176SC*.THydrogen-bonded Turntrans44.153.1178.4-63.4-178.5178164.30111.6H126K124-H126 PolarHBondContact O-N 3.3Å
125E83.3Confident91.3Very high124 Ų12438.3 Ų38.358%0.57918%0.181SC*.THydrogen-bonded Turntrans72.85176.9-51.3171148.700115.2C21 F81 Y123C21-E125 PolarHBondContact SG-O 2.76Å; F81-E125 HydrophobicContact CD1-CB 3.82Å; F81-E125 VanDerWaalsContact CD1-O 3.27Å; F81-E125 WeakPolarHBondContact CD1-O 3.37Å; F81-E125 HydrophobicContact CE1-CB 3.81Å; F81-E125 VanDerWaalsContact CE1-O 3.31Å; F81-E125 WeakPolarHBondContact CE1-O 3.45Å; F81-E125 HydrophobicContact CG-CB 4.49Å; F81-E125 HydrophobicContact CZ-CB 4.48Å; Y123-E125 PolarHBondContact O-N 2.98Å
126H90.2Very high91.4Very high34 Ų3434.7 Ų34.716%0.15716%0.16CC..EExtended strand (participates in β ladder)trans-96.8125171.5-174.856.3000112.1Q16 C21 N122 Y123 K124 N141Q16-H126 PolarHBondContact OE1-CE1 3.34Å; C21-H126 WeakPolarHBondContact CB-ND1 3.11Å; N122-H126 VanDerWaalsContact CA-O 3.3Å; N122-H126 WeakPolarHBondContact CA-O 3.45Å; Y123-H126 PolarHBondContact N-O 2.91Å; Y123-H126 WeakPolarHBondContact O-CB 3.39Å; Y123-H126 PolarHBondContact O-N 3.45Å; K124-H126 PolarHBondContact O-N 3.3Å; H126-N141 PolarHBondContact NE2-OD1 3.18Å
127W93.1Very high91.5Very high13 Ų1334.4 Ų34.45%0.04916%0.159CC..EExtended strand (participates in β ladder)trans-101.2133.9176.8-60.7100.6000111.4C21 C25 F82 I84 I87 I120 C121 N122 F170C21-W127 HydrophobicContact CB-CB 4.49Å; C25-W127 HydrophobicContact CB-CB 3.85Å; F82-W127 PolarHBondContact O-NE1 2.86Å; F82-W127 VanDerWaalsContact O-NE1 3.14Å; I84-W127 HydrophobicContact CB-CH2 3.78Å; I84-W127 HydrophobicContact CB-CZ2 4.15Å; I84-W127 HydrophobicContact CD1-CH2 3.39Å; I84-W127 HydrophobicContact CD1-CZ2 4.41Å; I84-W127 HydrophobicContact CD1-CZ3 3.63Å; I84-W127 HydrophobicContact CG1-CH2 4.12Å; I87-W127 HydrophobicContact CD1-CD2 3.27Å; I87-W127 HydrophobicContact CD1-CE3 3.63Å; I87-W127 HydrophobicContact CD1-CG 3.69Å; I87-W127 HydrophobicContact CD1-CH2 4.19Å; I87-W127 HydrophobicContact CD1-CZ2 3.83Å; I87-W127 HydrophobicContact CD1-CZ3 4.04Å; I120-W127 HydrophobicContact CG2-CE3 3.66Å; I120-W127 HydrophobicContact CG2-CZ3 4.09Å; C121-W127 WeakPolarHBondContact O-CA 3.48Å; N122-W127 HydrophobicContact CB-CD2 4.24Å; N122-W127 HydrophobicContact CB-CE3 3.67Å; N122-W127 HydrophobicContact CB-CH2 3.8Å; N122-W127 HydrophobicContact CB-CZ2 4.4Å; N122-W127 HydrophobicContact CB-CZ3 3.46Å; N122-W127 VanDerWaalsContact CB-CZ3 3.46Å; N122-W127 WeakPolarHBondContact ND2-CH2 3.45Å; N122-W127 WeakPolarHBondContact ND2-CZ2 3Å; W127-F170 HydrophobicContact CH2-CE2 4.25Å; W127-F170 HydrophobicContact CZ3-CD2 4.2Å; W127-F170 AromaticContact CZ3-CE2 3.83Å; W127-F170 HydrophobicContact CZ3-CE2 3.83Å
128F94.6Very high91.6Very high8 Ų830 Ų304%0.03514%0.14CC..EExtended strand (participates in β ladder)trans-145.3159.4169.865.4-78.7000112.5I120 C121 I130 N141 L162 Y167I120-F128 WeakPolarHBondContact CA-O 3.1Å; C121-F128 HydrophobicContact CB-CD1 3.92Å; C121-F128 HydrophobicContact CB-CD2 4.18Å; C121-F128 HydrophobicContact CB-CE1 3.33Å; C121-F128 HydrophobicContact CB-CE2 3.65Å; C121-F128 HydrophobicContact CB-CG 4.31Å; C121-F128 HydrophobicContact CB-CZ 3.2Å; C121-F128 PolarHBondContact N-O 3.23Å; C121-F128 PolarHBondContact O-N 2.9Å; F128-I130 HydrophobicContact CD2-CG1 4.32Å; F128-I130 HydrophobicContact CE2-CD1 4.2Å; F128-I130 HydrophobicContact CE2-CG1 4.1Å; F128-N141 HydrophobicContact CB-CB 3.8Å; F128-N141 HydrophobicContact CD2-CB 4.19Å; F128-N141 HydrophobicContact CG-CB 4.14Å; F128-L162 HydrophobicContact CE2-CD1 4.43Å; F128-L162 HydrophobicContact CZ-CD1 4.01Å; F128-L162 HydrophobicContact CZ-CD2 4.43Å; F128-Y167 AromaticContact CE1-CD1 3.8Å; F128-Y167 HydrophobicContact CE1-CD1 3.8Å; F128-Y167 AromaticContact CE1-CE1 3.6Å; F128-Y167 HydrophobicContact CE1-CE1 3.6Å; F128-Y167 AromaticContact CZ-CD1 3.99Å; F128-Y167 HydrophobicContact CZ-CD1 3.99Å; F128-Y167 AromaticContact CZ-CE1 3.87Å; F128-Y167 HydrophobicContact CZ-CE1 3.87Å
129T95.5Very high91.6Very high0 Ų030.4 Ų30.40%014%0.142CC..EExtended strand (participates in β ladder)trans-109.6141-176.4-67.80000111.7C25 L29 R131 L140C25-T129 PolarHBondContact O-OG1 3.42Å; C25-T129 PolarHBondContact SG-OG1 2.77Å; L29-T129 HydrophobicContact CB-CG2 3.76Å; L29-T129 HydrophobicContact CD1-CG2 3.79Å; L29-T129 HydrophobicContact CG-CG2 4.37Å; T129-R131 HydrophobicContact CG2-CB 4.16Å; T129-L140 WeakPolarHBondContact O-CA 3.21Å; T129-L140 PolarHBondContact O-N 3.45Å
130I95.4Very high91.5Very high0 Ų030.4 Ų30.40%014%0.142CC..EExtended strand (participates in β ladder)trans-117.3113.2165.5-51.1165.8000107A118 F119 F128 W137 F138 I150 L155 F158 L159 L162A118-I130 CarbonylContact C-O 3.56Å; A118-I130 VanDerWaalsContact CA-O 3.25Å; A118-I130 WeakPolarHBondContact CA-O 3.48Å; F119-I130 HydrophobicContact CB-CB 4.31Å; F119-I130 PolarHBondContact N-O 3.07Å; F119-I130 PolarHBondContact O-N 3.33Å; F128-I130 HydrophobicContact CD2-CG1 4.32Å; F128-I130 HydrophobicContact CE2-CD1 4.2Å; F128-I130 HydrophobicContact CE2-CG1 4.1Å; I130-W137 HydrophobicContact CG2-CE3 3.88Å; I130-W137 HydrophobicContact CG2-CZ3 4.38Å; I130-F138 CarbonylContact C-O 3.59Å; I130-F138 VanDerWaalsContact CA-O 3.28Å; I130-F138 WeakPolarHBondContact CA-O 3.25Å; I130-I150 HydrophobicContact CG2-CD1 4.33Å; I130-L155 HydrophobicContact CG2-CD1 4.3Å; I130-F158 HydrophobicContact CD1-CD1 4.06Å; I130-F158 HydrophobicContact CD1-CE1 3.58Å; I130-F158 HydrophobicContact CG1-CE1 4.36Å; I130-L159 HydrophobicContact CD1-CD2 4.04Å; I130-L162 HydrophobicContact CD1-CD1 4.36Å
131R94.1Very high91.3Very high1 Ų131.5 Ų31.50%0.00415%0.148CC..EExtended strand (participates in β ladder)trans-120.2141.9-177.9-179.5169.4173.3176.7-3.2110.6L29 L30 A118 T129 L133 F138 L140 P177 E182L29-R131 VanDerWaalsContact O-CD 3.23Å; L29-R131 WeakPolarHBondContact O-CD 3.3Å; L29-R131 PolarHBondContact O-NH1 3.03Å; L30-R131 PolarHBondContact O-NH1 2.88Å; A118-R131 HydrophobicContact CB-CB 4.26Å; A118-R131 HydrophobicContact CB-CG 4.29Å; T129-R131 HydrophobicContact CG2-CB 4.16Å; R131-L133 HydrophobicContact CG-CD2 3.9Å; R131-L133 HydrophobicContact CG-CG 4.27Å; R131-F138 PolarHBondContact N-O 3.15Å; R131-F138 PolarHBondContact O-N 3.12Å; R131-L140 HydrophobicContact CB-CD1 4.09Å; R131-P177 PolarHBondContact NH2-O 2.85Å; R131-E182 IonicContact NH2-OE2 2.94Å
132K92Very high91Very high57 Ų5731.5 Ų31.525%0.24815%0.148CC..EExtended strand (participates in β ladder)trans-82.6122.7168-167.7177.8-173.9171.10108.7I114 K117 Q136 W137I114-K132 PolarHBondContact O-NZ 2.9Å; K117-K132 WeakPolarHBondContact O-CB 3.5Å; K117-K132 PolarHBondContact O-N 3.42Å; K132-Q136 WeakPolarHBondContact CA-O 3.18Å; K132-W137 HydrophobicContact CB-CD2 3.93Å; K132-W137 HydrophobicContact CB-CE3 3.89Å; K132-W137 HydrophobicContact CB-CH2 3.98Å; K132-W137 HydrophobicContact CB-CZ2 3.98Å; K132-W137 HydrophobicContact CB-CZ3 3.93Å; K132-W137 HydrophobicContact CD-CZ2 3.97Å; K132-W137 HydrophobicContact CG-CD2 4.27Å; K132-W137 HydrophobicContact CG-CZ2 4.34Å
133L89.4Confident90.7Very high0 Ų033.4 Ų33.40%016%0.158CC..EExtended strand (participates in β ladder)trans-121.6116.7176.2-59.5172.1000108.1I11 Q31 R131 Q135 Q136 F138 A181 L185I11-L133 HydrophobicContact CB-CD1 4.37Å; I11-L133 HydrophobicContact CD1-CD1 4.14Å; I11-L133 HydrophobicContact CG1-CD1 3.97Å; I11-L133 HydrophobicContact CG2-CD1 3.64Å; Q31-L133 HydrophobicContact CG-CD2 3.96Å; R131-L133 HydrophobicContact CG-CD2 3.9Å; R131-L133 HydrophobicContact CG-CG 4.27Å; L133-Q135 PolarHBondContact O-N 3.49Å; L133-Q135 VanDerWaalsContact O-N 3.12Å; L133-Q136 PolarHBondContact N-O 3.3Å; L133-Q136 PolarHBondContact O-N 3.38Å; L133-F138 HydrophobicContact CB-CD2 3.93Å; L133-F138 HydrophobicContact CB-CE2 3.98Å; L133-F138 HydrophobicContact CD1-CD2 4.01Å; L133-F138 HydrophobicContact CD1-CG 4.48Å; L133-F138 HydrophobicContact CG-CD2 4.17Å; L133-A181 HydrophobicContact CD1-CB 4.32Å; L133-L185 HydrophobicContact CB-CD1 3.66Å; L133-L185 HydrophobicContact CD1-CD1 4.41Å
134G86.5Confident90.6Very high21 Ų2130.4 Ų30.422%0.21615%0.147CC..THydrogen-bonded Turntrans62.4-110.9-171.400000111.7
135Q85.3Confident90.6Very high87 Ų8725.4 Ų25.441%0.40713%0.129SC..THydrogen-bonded Turntrans-109.68-178.8-62.6178.441.300113.8L133 G186L133-Q135 PolarHBondContact O-N 3.49Å; L133-Q135 VanDerWaalsContact O-N 3.12Å; Q135-G186 PolarHBondContact NE2-O 3.07Å
136Q89.2Confident90.8Very high28 Ų2820 Ų2013%0.13111%0.108CC..EExtended strand (participates in β ladder)trans-133.3154-171.4-66.8179-81.900111.9K132 L133 F138 L149 V190K132-Q136 WeakPolarHBondContact CA-O 3.18Å; L133-Q136 PolarHBondContact N-O 3.3Å; L133-Q136 PolarHBondContact O-N 3.38Å; Q136-F138 HydrophobicContact CB-CE2 3.77Å; Q136-F138 HydrophobicContact CB-CZ 4.11Å; Q136-L149 HydrophobicContact CB-CD1 3.81Å; Q136-L149 HydrophobicContact CG-CD1 4.28Å; Q136-V190 PolarHBondContact NE2-O 3.33Å; Q136-V190 PolarHBondContact OE1-O 2.97Å
137W92.9Very high90.8Very high0 Ų019.3 Ų19.30%011%0.106CC..EExtended strand (participates in β ladder)trans-96.5141178.1-72.791.4000110.7E116 F119 I130 K132 I150 D152 L155E116-W137 HydrophobicContact CB-CH2 4.13Å; E116-W137 WeakPolarHBondContact O-CH2 3.25Å; E116-W137 WeakPolarHBondContact O-CZ2 3.45Å; F119-W137 HydrophobicContact CD2-CE3 4.5Å; F119-W137 AromaticContact CD2-CH2 3.85Å; F119-W137 HydrophobicContact CD2-CH2 3.85Å; F119-W137 AromaticContact CD2-CZ3 3.61Å; F119-W137 HydrophobicContact CD2-CZ3 3.61Å; F119-W137 AromaticContact CE2-CH2 3.33Å; F119-W137 HydrophobicContact CE2-CH2 3.33Å; F119-W137 HydrophobicContact CE2-CZ2 4.11Å; F119-W137 AromaticContact CE2-CZ3 3.58Å; F119-W137 HydrophobicContact CE2-CZ3 3.58Å; F119-W137 HydrophobicContact CZ-CH2 4.25Å; I130-W137 HydrophobicContact CG2-CE3 3.88Å; I130-W137 HydrophobicContact CG2-CZ3 4.38Å; K132-W137 HydrophobicContact CB-CD2 3.93Å; K132-W137 HydrophobicContact CB-CE3 3.89Å; K132-W137 HydrophobicContact CB-CH2 3.98Å; K132-W137 HydrophobicContact CB-CZ2 3.98Å; K132-W137 HydrophobicContact CB-CZ3 3.93Å; K132-W137 HydrophobicContact CD-CZ2 3.97Å; K132-W137 HydrophobicContact CG-CD2 4.27Å; K132-W137 HydrophobicContact CG-CZ2 4.34Å; W137-I150 HydrophobicContact CB-CB 3.94Å; W137-I150 HydrophobicContact CB-CG2 4.18Å; W137-I150 WeakPolarHBondContact CB-O 3.24Å; W137-I150 PolarHBondContact N-O 3.44Å; W137-I150 PolarHBondContact O-N 3.23Å; W137-I150 VanDerWaalsContact O-O 3.13Å; W137-D152 VanDerWaalsContact CD1-OD1 3.27Å; W137-L155 HydrophobicContact CD2-CD1 4.19Å; W137-L155 HydrophobicContact CD2-CD2 3.72Å; W137-L155 VanDerWaalsContact CE2-CD2 3.4Å; W137-L155 HydrophobicContact CE3-CD1 4.34Å; W137-L155 HydrophobicContact CE3-CD2 4.38Å; W137-L155 HydrophobicContact CG-CD1 4.28Å; W137-L155 HydrophobicContact CG-CD2 3.97Å; W137-L155 HydrophobicContact CH2-CD2 4.42Å; W137-L155 HydrophobicContact CZ2-CD2 3.79Å
138F92.8Very high90.6Very high0 Ų019.2 Ų19.20%011%0.106CC..EExtended strand (participates in β ladder)trans-129.9131.9177.8-64.2-91.2000110.2M8 I11 I130 R131 L133 Q136 L140 P147 E148 L149 L185M8-F138 HydrophobicContact CE-CE1 3.8Å; M8-F138 HydrophobicContact SD-CE1 3.89Å; I11-F138 HydrophobicContact CD1-CD1 3.77Å; I11-F138 HydrophobicContact CD1-CD2 4.35Å; I11-F138 HydrophobicContact CD1-CE1 3.54Å; I11-F138 HydrophobicContact CD1-CE2 4.19Å; I11-F138 HydrophobicContact CD1-CG 4.16Å; I11-F138 HydrophobicContact CD1-CZ 3.78Å; I130-F138 CarbonylContact C-O 3.59Å; I130-F138 VanDerWaalsContact CA-O 3.28Å; I130-F138 WeakPolarHBondContact CA-O 3.25Å; R131-F138 PolarHBondContact N-O 3.15Å; R131-F138 PolarHBondContact O-N 3.12Å; L133-F138 HydrophobicContact CB-CD2 3.93Å; L133-F138 HydrophobicContact CB-CE2 3.98Å; L133-F138 HydrophobicContact CD1-CD2 4.01Å; L133-F138 HydrophobicContact CD1-CG 4.48Å; L133-F138 HydrophobicContact CG-CD2 4.17Å; Q136-F138 HydrophobicContact CB-CE2 3.77Å; Q136-F138 HydrophobicContact CB-CZ 4.11Å; F138-L140 HydrophobicContact CB-CD2 4Å; F138-L140 HydrophobicContact CB-CG 4.38Å; F138-P147 HydrophobicContact CD1-CB 4.21Å; F138-E148 CarbonylContact C-O 3.44Å; F138-E148 VanDerWaalsContact CA-O 3.24Å; F138-E148 WeakPolarHBondContact CA-O 3.28Å; F138-L149 HydrophobicContact CD1-CB 4.47Å; F138-L149 HydrophobicContact CD1-CD1 4.24Å; F138-L149 HydrophobicContact CE1-CB 4.27Å; F138-L149 HydrophobicContact CE1-CD1 3.65Å; F138-L149 HydrophobicContact CE2-CD1 4.38Å; F138-L149 HydrophobicContact CZ-CD1 3.73Å; F138-L185 HydrophobicContact CE2-CD1 3.95Å; F138-L185 HydrophobicContact CZ-CD1 4.1Å
139N94.4Very high90.4Very high8 Ų820.8 Ų20.84%0.04312%0.115CC..EExtended strand (participates in β ladder)trans-85.9114.6165.1167.227000108.3N141 E148 I150N139-N141 VanDerWaalsContact OD1-CB 3.3Å; N139-N141 WeakPolarHBondContact OD1-CB 3.36Å; N139-N141 PolarHBondContact OD1-N 2.82Å; N139-N141 VanDerWaalsContact OD1-N 3.11Å; N139-E148 HydrophobicContact CB-CB 4.09Å; N139-E148 PolarHBondContact N-O 2.97Å; N139-E148 PolarHBondContact ND2-OE2 3.14Å; N139-E148 PolarHBondContact O-N 3.19Å; N139-I150 HydrophobicContact CB-CD1 3.61Å; N139-I150 HydrophobicContact CB-CG1 4.33Å
140L93.5Very high90.2Very high0 Ų020.9 Ų20.90%012%0.115CC..EExtended strand (participates in β ladder)trans-106.538.6-177.1-54.3176.2000110.2I11 N28 T129 R131 F138 S142 P147I11-L140 HydrophobicContact CG2-CD2 3.96Å; N28-L140 HydrophobicContact CB-CB 3.88Å; N28-L140 HydrophobicContact CB-CD1 4.1Å; N28-L140 PolarHBondContact ND2-O 2.92Å; N28-L140 WeakPolarHBondContact O-CD1 3.45Å; T129-L140 WeakPolarHBondContact O-CA 3.21Å; T129-L140 PolarHBondContact O-N 3.45Å; R131-L140 HydrophobicContact CB-CD1 4.09Å; F138-L140 HydrophobicContact CB-CD2 4Å; F138-L140 HydrophobicContact CB-CG 4.38Å; L140-S142 PolarHBondContact O-N 2.85Å; L140-S142 VanDerWaalsContact O-N 3.17Å; L140-P147 HydrophobicContact CD2-CB 3.6Å
141N92.6Very high89.9Confident22 Ų2223.6 Ų23.612%0.11813%0.134CC..  trans-59.3120.6172.4-177.3-3.8000109.3H13 H126 F128 N139 L143 L144H13-N141 PolarHBondContact CE1-O 3.4Å; H126-N141 PolarHBondContact NE2-OD1 3.18Å; F128-N141 HydrophobicContact CB-CB 3.8Å; F128-N141 HydrophobicContact CD2-CB 4.19Å; F128-N141 HydrophobicContact CG-CB 4.14Å; N139-N141 VanDerWaalsContact OD1-CB 3.3Å; N139-N141 WeakPolarHBondContact OD1-CB 3.36Å; N139-N141 PolarHBondContact OD1-N 2.82Å; N139-N141 VanDerWaalsContact OD1-N 3.11Å; N141-L143 PolarHBondContact O-N 2.94Å; N141-L143 VanDerWaalsContact O-N 3.15Å; N141-L143 PolarHBondContact OD1-N 2.79Å; N141-L143 VanDerWaalsContact OD1-N 3.07Å; N141-L144 HydrophobicContact CB-CD1 3.9Å; N141-L144 HydrophobicContact CB-CG 4.01Å; N141-L144 VanDerWaalsContact O-CB 3.27Å; N141-L144 WeakPolarHBondContact O-CB 3.41Å; N141-L144 PolarHBondContact O-N 3.48Å
142S87.8Confident89.6Confident0 Ų027.2 Ų27.20%015%0.153CC..THydrogen-bonded Turntrans-62.5-19.9-177570000113.1Q16 L140 L144 I199Q16-S142 WeakPolarHBondContact CB-OG 3.33Å; Q16-S142 PolarHBondContact N-O 3.18Å; Q16-S142 PolarHBondContact OE1-OG 3Å; L140-S142 PolarHBondContact O-N 2.85Å; L140-S142 VanDerWaalsContact O-N 3.17Å; S142-L144 VanDerWaalsContact C-N 3.26Å; S142-L144 PolarHBondContact O-N 3.2Å; S142-I199 VanDerWaalsContact O-CD1 3.29Å; S142-I199 WeakPolarHBondContact O-CD1 3.4Å
143L87.9Confident89.3Confident67 Ų6730.5 Ų30.535%0.35118%0.179SC..THydrogen-bonded Turntrans-76.1-9171.7-60.2178.5000113.4N141 L198 I199N141-L143 PolarHBondContact O-N 2.94Å; N141-L143 VanDerWaalsContact O-N 3.15Å; N141-L143 PolarHBondContact OD1-N 2.79Å; N141-L143 VanDerWaalsContact OD1-N 3.07Å; L143-L198 HydrophobicContact CB-CD2 4.04Å; L143-L198 CarbonylContact O-C 3.59Å; L143-L198 WeakPolarHBondContact O-CA 3.49Å; L143-I199 WeakPolarHBondContact O-CG1 3.44Å; L143-I199 PolarHBondContact O-N 3.26Å
144L88Confident89.3Confident9 Ų934.1 Ų34.15%0.04719%0.193CC..BIsolated β-bridgetrans-86.7148175.7-63.2171.2000110.8H13 N141 S142 G146 E148 P196 R197 L198H13-L144 PolarHBondContact NE2-O 2.86Å; H13-L144 VanDerWaalsContact NE2-O 3.12Å; N141-L144 HydrophobicContact CB-CD1 3.9Å; N141-L144 HydrophobicContact CB-CG 4.01Å; N141-L144 VanDerWaalsContact O-CB 3.27Å; N141-L144 WeakPolarHBondContact O-CB 3.41Å; N141-L144 PolarHBondContact O-N 3.48Å; S142-L144 VanDerWaalsContact C-N 3.26Å; S142-L144 PolarHBondContact O-N 3.2Å; L144-G146 VanDerWaalsContact CB-O 3.3Å; L144-G146 WeakPolarHBondContact CB-O 3.32Å; L144-G146 PolarHBondContact O-N 3.03Å; L144-G146 VanDerWaalsContact O-N 3.11Å; L144-E148 HydrophobicContact CD1-CB 3.91Å; L144-P196 HydrophobicContact CB-CB 4.46Å; L144-P196 HydrophobicContact CD1-CG 4.37Å; L144-R197 WeakPolarHBondContact CA-O 3.39Å; L144-L198 HydrophobicContact CD2-CD2 3.86Å; L144-L198 HydrophobicContact CD2-CG 4.5Å
145T84.6Confident89.5Confident54 Ų5433.1 Ų33.133%0.33118%0.183SC..SBendtrans-65.5-11174.354.70000113.8K15 R197 I199K15-T145 WeakPolarHBondContact CE-O 3.47Å; K15-T145 PolarHBondContact NZ-O 3.34Å; T145-R197 HydrophobicContact CG2-CB 4.47Å; T145-R197 WeakPolarHBondContact CG2-O 3.46Å; T145-R197 PolarHBondContact N-O 3.45Å; T145-R197 PolarHBondContact OG1-N 3.48Å; T145-R197 PolarHBondContact OG1-O 3.21Å; T145-I199 HydrophobicContact CG2-CG1 4.08Å
146G87.2Confident89.7Confident12 Ų1231.6 Ų31.612%0.12418%0.184CC..SBendtrans-178.6-176.6173.700000112.2L144 E148 P196L144-G146 VanDerWaalsContact CB-O 3.3Å; L144-G146 WeakPolarHBondContact CB-O 3.32Å; L144-G146 PolarHBondContact O-N 3.03Å; L144-G146 VanDerWaalsContact O-N 3.11Å; G146-E148 PolarHBondContact O-N 3.2Å; G146-P196 WeakPolarHBondContact O-CG 3.47Å
147P89.3Confident89.7Confident18 Ų1835.3 Ų35.312%0.11721%0.205CC..PPolyproline II helixtrans-66.8130.2-178.127.6-35.4000111.5M8 I11 F138 L140M8-P147 HydrophobicContact SD-CG 4.07Å; I11-P147 HydrophobicContact CB-CG 4.24Å; I11-P147 HydrophobicContact CD1-CB 4.24Å; I11-P147 HydrophobicContact CD1-CG 4.1Å; I11-P147 HydrophobicContact CG2-CB 4.11Å; I11-P147 HydrophobicContact CG2-CG 4.22Å; F138-P147 HydrophobicContact CD1-CB 4.21Å; L140-P147 HydrophobicContact CD2-CB 3.6Å
148E90.4Very high89.7Confident12 Ų1236.1 Ų36.16%0.05621%0.208CC..EExtended strand (participates in β ladder)trans-95.9123.7175.9178.5-173.1167.700111F138 N139 L144 G146 R195 P196F138-E148 CarbonylContact C-O 3.44Å; F138-E148 VanDerWaalsContact CA-O 3.24Å; F138-E148 WeakPolarHBondContact CA-O 3.28Å; N139-E148 HydrophobicContact CB-CB 4.09Å; N139-E148 PolarHBondContact N-O 2.97Å; N139-E148 PolarHBondContact ND2-OE2 3.14Å; N139-E148 PolarHBondContact O-N 3.19Å; L144-E148 HydrophobicContact CD1-CB 3.91Å; G146-E148 PolarHBondContact O-N 3.2Å; E148-R195 VanDerWaalsContact CD-CZ 3.41Å; E148-R195 HydrophobicContact CG-CG 4.02Å; E148-R195 IonicContact OE1-CZ 2.81Å; E148-R195 IonicContact OE1-NE 3.96Å; E148-R195 PolarHBondContact OE1-NE 3.33Å; E148-R195 IonicContact OE1-NH1 3.01Å; E148-R195 IonicContact OE1-NH2 2.99Å; E148-R195 PolarHBondContact OE1-NH2 3.27Å; E148-R195 IonicContact OE2-CZ 2.87Å; E148-R195 VanDerWaalsContact OE2-CZ 3.3Å; E148-R195 IonicContact OE2-NE 2.81Å; E148-R195 PolarHBondContact OE2-NE 2.92Å; E148-R195 IonicContact OE2-NH2 2.81Å; E148-R195 PolarHBondContact OE2-NH2 3.2Å; E148-P196 HydrophobicContact CB-CG 3.63Å; E148-P196 HydrophobicContact CG-CG 4.31Å
149L90.6Very high89.6Confident41 Ų4136.3 Ų36.322%0.21521%0.209CC..EExtended strand (participates in β ladder)trans-72.9127.6176.4-179.368.3000112.1M8 Q136 F138 V190 Q192M8-L149 HydrophobicContact CE-CB 4.37Å; Q136-L149 HydrophobicContact CB-CD1 3.81Å; Q136-L149 HydrophobicContact CG-CD1 4.28Å; F138-L149 HydrophobicContact CD1-CB 4.47Å; F138-L149 HydrophobicContact CD1-CD1 4.24Å; F138-L149 HydrophobicContact CE1-CB 4.27Å; F138-L149 HydrophobicContact CE1-CD1 3.65Å; F138-L149 HydrophobicContact CE2-CD1 4.38Å; F138-L149 HydrophobicContact CZ-CD1 3.73Å; L149-V190 WeakPolarHBondContact CD2-O 3.49Å; L149-Q192 HydrophobicContact CB-CB 3.85Å; L149-Q192 HydrophobicContact CD2-CB 4.06Å
150I91Very high89.4Confident1 Ų137.5 Ų37.51%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-114.9130.1173.4-65.3176.1000108.7I130 W137 N139 Y154 L155 F158I130-I150 HydrophobicContact CG2-CD1 4.33Å; W137-I150 HydrophobicContact CB-CB 3.94Å; W137-I150 HydrophobicContact CB-CG2 4.18Å; W137-I150 WeakPolarHBondContact CB-O 3.24Å; W137-I150 PolarHBondContact N-O 3.44Å; W137-I150 PolarHBondContact O-N 3.23Å; W137-I150 VanDerWaalsContact O-O 3.13Å; N139-I150 HydrophobicContact CB-CD1 3.61Å; N139-I150 HydrophobicContact CB-CG1 4.33Å; I150-Y154 HydrophobicContact CG2-CD1 4.12Å; I150-L155 HydrophobicContact CG2-CB 3.95Å; I150-L155 HydrophobicContact CG2-CD1 4.1Å; I150-F158 HydrophobicContact CD1-CD1 3.76Å; I150-F158 HydrophobicContact CD1-CE1 3.78Å; I150-F158 HydrophobicContact CD1-CG 4.39Å; I150-F158 HydrophobicContact CD1-CZ 4.47Å
151S88.6Confident89.4Confident58 Ų5841.1 Ų41.141%0.40624%0.237SC..  trans-80.3152173.670.60000111.5T153 Y154 L155S151-T153 PolarHBondContact O-N 3.19Å; S151-T153 PolarHBondContact OG-OG1 3.33Å; S151-Y154 CarbonylContact O-C 3.56Å; S151-Y154 PolarHBondContact O-N 3.38Å; S151-Y154 WeakPolarHBondContact OG-CB 3.36Å; S151-Y154 PolarHBondContact OG-N 3.45Å; S151-L155 PolarHBondContact O-N 3.02Å
152D87.3Confident89.4Confident76 Ų7640.4 Ų40.441%0.40623%0.233SC..Hα-helixtrans-54.2-38.7176.7-64.6-8000112.7I114 W137 Y154I114-D152 HydrophobicContact CG2-CB 4.32Å; W137-D152 VanDerWaalsContact CD1-OD1 3.27Å; D152-Y154 VanDerWaalsContact C-N 3.33Å
153T86.3Confident89.5Confident127 Ų12744.1 Ų44.178%0.77925%0.251SS*.Hα-helixtrans-69.3-30.3177.351.60000113.1S151S151-T153 PolarHBondContact O-N 3.19Å; S151-T153 PolarHBondContact OG-OG1 3.33Å
154Y89.5Confident89.7Confident76 Ų7648.9 Ų48.930%0.29827%0.271SS..Hα-helixtrans-87.3-28.5-179.9-175.6-119.3000112I150 S151 D152 A156 L157 F158I150-Y154 HydrophobicContact CG2-CD1 4.12Å; S151-Y154 CarbonylContact O-C 3.56Å; S151-Y154 PolarHBondContact O-N 3.38Å; S151-Y154 WeakPolarHBondContact OG-CB 3.36Å; S151-Y154 PolarHBondContact OG-N 3.45Å; D152-Y154 VanDerWaalsContact C-N 3.33Å; Y154-A156 VanDerWaalsContact C-N 3.33Å; Y154-A156 PolarHBondContact O-N 2.53Å; Y154-L157 HydrophobicContact CD2-CB 4.38Å; Y154-L157 HydrophobicContact CD2-CD2 4.16Å; Y154-L157 HydrophobicContact CE2-CD2 4.06Å; Y154-L157 HydrophobicContact CE2-CG 4.45Å; Y154-L157 WeakPolarHBondContact O-CB 3.38Å; Y154-L157 PolarHBondContact O-N 3.24Å; Y154-F158 HydrophobicContact CD1-CB 4.34Å; Y154-F158 HydrophobicContact CE1-CB 4.09Å; Y154-F158 HydrophobicContact CE1-CD2 4.18Å; Y154-F158 HydrophobicContact CE1-CG 4.39Å; Y154-F158 WeakPolarHBondContact O-CB 3.42Å; Y154-F158 PolarHBondContact O-N 2.92Å
155L91.1Very high89.9Confident0 Ų052.6 Ų52.60%029%0.288CS..Hα-helixtrans-52.5-47.9-177.918070.5000112.7I114 F119 I130 W137 I150 S151 L157 F158 L159I114-L155 HydrophobicContact CG2-CD2 4.08Å; F119-L155 HydrophobicContact CE2-CD2 4.43Å; I130-L155 HydrophobicContact CG2-CD1 4.3Å; W137-L155 HydrophobicContact CD2-CD1 4.19Å; W137-L155 HydrophobicContact CD2-CD2 3.72Å; W137-L155 VanDerWaalsContact CE2-CD2 3.4Å; W137-L155 HydrophobicContact CE3-CD1 4.34Å; W137-L155 HydrophobicContact CE3-CD2 4.38Å; W137-L155 HydrophobicContact CG-CD1 4.28Å; W137-L155 HydrophobicContact CG-CD2 3.97Å; W137-L155 HydrophobicContact CH2-CD2 4.42Å; W137-L155 HydrophobicContact CZ2-CD2 3.79Å; I150-L155 HydrophobicContact CG2-CB 3.95Å; I150-L155 HydrophobicContact CG2-CD1 4.1Å; S151-L155 PolarHBondContact O-N 3.02Å; L155-L157 VanDerWaalsContact C-N 3.3Å; L155-L157 PolarHBondContact O-N 2.8Å; L155-F158 PolarHBondContact O-N 3.31Å; L155-L159 HydrophobicContact CD1-CD1 4.23Å; L155-L159 HydrophobicContact CD1-CG 4.22Å; L155-L159 HydrophobicContact CG-CD1 4.08Å; L155-L159 HydrophobicContact CG-CG 4.4Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 3.02Å
156A88.4Confident90.2Very high54 Ų5452.6 Ų52.645%0.44630%0.299SS..Hα-helixtrans-61.6-40.8-179.300000111.8Y154 A160Y154-A156 VanDerWaalsContact C-N 3.33Å; Y154-A156 PolarHBondContact O-N 2.53Å; A156-A160 VanDerWaalsContact O-CB 3.31Å; A156-A160 WeakPolarHBondContact O-CB 3.2Å; A156-A160 PolarHBondContact O-N 3.21Å
157L89.8Confident90.5Very high107 Ų10754.1 Ų54.156%0.5630%0.301SS*.Hα-helixtrans-67.5-42.4176.2-178.561000111.3Y154 L155 A160 Q161Y154-L157 HydrophobicContact CD2-CB 4.38Å; Y154-L157 HydrophobicContact CD2-CD2 4.16Å; Y154-L157 HydrophobicContact CE2-CD2 4.06Å; Y154-L157 HydrophobicContact CE2-CG 4.45Å; Y154-L157 WeakPolarHBondContact O-CB 3.38Å; Y154-L157 PolarHBondContact O-N 3.24Å; L155-L157 VanDerWaalsContact C-N 3.3Å; L155-L157 PolarHBondContact O-N 2.8Å; L157-A160 PolarHBondContact O-N 3.16Å; L157-Q161 WeakPolarHBondContact O-CB 3.26Å; L157-Q161 PolarHBondContact O-N 3.3Å
158F91.9Very high90.7Very high16 Ų1655.9 Ų55.97%0.0731%0.314CS..Hα-helixtrans-60.2-50.1177.8-176.7-115.6000111.3I130 I150 Y154 L155 A160 Q161 L162I130-F158 HydrophobicContact CD1-CD1 4.06Å; I130-F158 HydrophobicContact CD1-CE1 3.58Å; I130-F158 HydrophobicContact CG1-CE1 4.36Å; I150-F158 HydrophobicContact CD1-CD1 3.76Å; I150-F158 HydrophobicContact CD1-CE1 3.78Å; I150-F158 HydrophobicContact CD1-CG 4.39Å; I150-F158 HydrophobicContact CD1-CZ 4.47Å; Y154-F158 HydrophobicContact CD1-CB 4.34Å; Y154-F158 HydrophobicContact CE1-CB 4.09Å; Y154-F158 HydrophobicContact CE1-CD2 4.18Å; Y154-F158 HydrophobicContact CE1-CG 4.39Å; Y154-F158 WeakPolarHBondContact O-CB 3.42Å; Y154-F158 PolarHBondContact O-N 2.92Å; L155-F158 PolarHBondContact O-N 3.31Å; F158-A160 VanDerWaalsContact C-N 3.33Å; F158-A160 PolarHBondContact O-N 3.25Å; F158-Q161 WeakPolarHBondContact O-CB 3.45Å; F158-Q161 PolarHBondContact O-N 3.03Å; F158-L162 HydrophobicContact CD1-CD1 4.15Å; F158-L162 HydrophobicContact CE1-CD1 3.73Å; F158-L162 HydrophobicContact CE1-CG 4.4Å; F158-L162 HydrophobicContact CE2-CD2 4.34Å; F158-L162 HydrophobicContact CE2-CG 4.46Å; F158-L162 HydrophobicContact CZ-CD1 3.96Å; F158-L162 HydrophobicContact CZ-CD2 4.26Å; F158-L162 HydrophobicContact CZ-CG 4.29Å; F158-L162 WeakPolarHBondContact O-CG 3.38Å; F158-L162 PolarHBondContact O-N 2.65Å
159L91.8Very high90.9Very high4 Ų455.5 Ų55.52%0.02131%0.312CS..Hα-helixtrans-62.1-40.1176.6-65.3175.7000112F101 P113 F119 I130 L155 Q161 L162 Q163 I169F101-L159 HydrophobicContact CE2-CD1 4.42Å; P113-L159 HydrophobicContact CB-CD1 3.79Å; P113-L159 HydrophobicContact CG-CD1 4.48Å; F119-L159 HydrophobicContact CD2-CD1 4.47Å; F119-L159 HydrophobicContact CE2-CD1 4.06Å; F119-L159 HydrophobicContact CZ-CD1 4.08Å; I130-L159 HydrophobicContact CD1-CD2 4.04Å; L155-L159 HydrophobicContact CD1-CD1 4.23Å; L155-L159 HydrophobicContact CD1-CG 4.22Å; L155-L159 HydrophobicContact CG-CD1 4.08Å; L155-L159 HydrophobicContact CG-CG 4.4Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 3.02Å; L159-Q161 VanDerWaalsContact C-N 3.33Å; L159-Q161 PolarHBondContact O-N 3.01Å; L159-L162 PolarHBondContact O-N 3Å; L159-Q163 WeakPolarHBondContact O-CG 3.27Å; L159-Q163 PolarHBondContact O-N 3.47Å; L159-I169 HydrophobicContact CB-CD1 4.29Å; L159-I169 HydrophobicContact CD2-CD1 4.08Å; L159-I169 HydrophobicContact CD2-CG2 4.19Å; L159-I169 WeakPolarHBondContact O-CD1 3.46Å
160A90Very high91.1Very high33 Ų3354.8 Ų54.827%0.27331%0.307SS..Hα-helixtrans-64.7-36.8176.300000112.4A156 L157 F158 Q163 Q164A156-A160 VanDerWaalsContact O-CB 3.31Å; A156-A160 WeakPolarHBondContact O-CB 3.2Å; A156-A160 PolarHBondContact O-N 3.21Å; L157-A160 PolarHBondContact O-N 3.16Å; F158-A160 VanDerWaalsContact C-N 3.33Å; F158-A160 PolarHBondContact O-N 3.25Å; A160-Q163 PolarHBondContact O-N 2.83Å; A160-Q164 WeakPolarHBondContact O-CG 3.43Å; A160-Q164 PolarHBondContact O-N 2.98Å; A160-Q164 PolarHBondContact O-NE2 3.27Å
161Q92.3Very high91.2Very high77 Ų7754.7 Ų54.736%0.3631%0.307SS..Hα-helixtrans-65.1-48.2174.3178.8178.6-9.700110.9L157 F158 L159 Q163 Q164 E165L157-Q161 WeakPolarHBondContact O-CB 3.26Å; L157-Q161 PolarHBondContact O-N 3.3Å; F158-Q161 WeakPolarHBondContact O-CB 3.45Å; F158-Q161 PolarHBondContact O-N 3.03Å; L159-Q161 VanDerWaalsContact C-N 3.33Å; L159-Q161 PolarHBondContact O-N 3.01Å; Q161-Q163 PolarHBondContact O-N 2.85Å; Q161-Q164 WeakPolarHBondContact O-CB 3.46Å; Q161-Q164 PolarHBondContact O-N 3.38Å; Q161-E165 HydrophobicContact CG-CG 4.48Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.41Å; Q161-E165 PolarHBondContact NE2-OE1 2.9Å; Q161-E165 WeakPolarHBondContact O-CG 3.47Å; Q161-E165 PolarHBondContact O-N 3.3Å
162L92.9Very high91.5Very high7 Ų752.1 Ų52.14%0.03729%0.289CS..Hα-helixtrans-56.1-40.8177.3-67.8-176.1000111.3C121 F128 I130 F158 L159 Q164 E165 G166 Y167 I169C121-L162 HydrophobicContact CB-CD1 4.49Å; F128-L162 HydrophobicContact CE2-CD1 4.43Å; F128-L162 HydrophobicContact CZ-CD1 4.01Å; F128-L162 HydrophobicContact CZ-CD2 4.43Å; I130-L162 HydrophobicContact CD1-CD1 4.36Å; F158-L162 HydrophobicContact CD1-CD1 4.15Å; F158-L162 HydrophobicContact CE1-CD1 3.73Å; F158-L162 HydrophobicContact CE1-CG 4.4Å; F158-L162 HydrophobicContact CE2-CD2 4.34Å; F158-L162 HydrophobicContact CE2-CG 4.46Å; F158-L162 HydrophobicContact CZ-CD1 3.96Å; F158-L162 HydrophobicContact CZ-CD2 4.26Å; F158-L162 HydrophobicContact CZ-CG 4.29Å; F158-L162 WeakPolarHBondContact O-CG 3.38Å; F158-L162 PolarHBondContact O-N 2.65Å; L159-L162 PolarHBondContact O-N 3Å; L162-Q164 PolarHBondContact O-N 2.77Å; L162-E165 PolarHBondContact O-N 3.36Å; L162-G166 PolarHBondContact O-N 3.18Å; L162-Y167 HydrophobicContact CB-CD1 4.36Å; L162-Y167 HydrophobicContact CB-CD2 4.16Å; L162-Y167 HydrophobicContact CB-CG 3.89Å; L162-Y167 HydrophobicContact CD1-CD1 4.49Å; L162-Y167 HydrophobicContact CD2-CD1 3.71Å; L162-Y167 HydrophobicContact CD2-CD2 3.94Å; L162-Y167 HydrophobicContact CD2-CE1 3.67Å; L162-Y167 HydrophobicContact CD2-CE2 3.89Å; L162-Y167 HydrophobicContact CD2-CG 3.88Å; L162-Y167 HydrophobicContact CG-CD1 4.4Å; L162-Y167 HydrophobicContact CG-CG 4.37Å; L162-Y167 VanDerWaalsContact O-CB 3.24Å; L162-Y167 WeakPolarHBondContact O-CB 3.39Å; L162-Y167 WeakPolarHBondContact O-CD2 3.46Å; L162-Y167 PolarHBondContact O-N 2.83Å; L162-I169 HydrophobicContact CB-CD1 3.83Å; L162-I169 HydrophobicContact CB-CG1 4.43Å; L162-I169 HydrophobicContact CD1-CD1 4.47Å
163Q90.9Very high91.6Very high78 Ų7851.8 Ų51.836%0.36428%0.282SS..Hα-helixtrans-62.5-42.1175-71.8175.4-5.600113.4L159 A160 Q161 E165 G166 I169L159-Q163 WeakPolarHBondContact O-CG 3.27Å; L159-Q163 PolarHBondContact O-N 3.47Å; A160-Q163 PolarHBondContact O-N 2.83Å; Q161-Q163 PolarHBondContact O-N 2.85Å; Q163-E165 VanDerWaalsContact C-N 3.3Å; Q163-E165 PolarHBondContact O-N 3.24Å; Q163-G166 PolarHBondContact O-N 3.29Å; Q163-G166 VanDerWaalsContact O-N 3.11Å; Q163-I169 HydrophobicContact CG-CD1 3.69Å
164Q91.3Very high91.8Very high166 Ų16647.4 Ų47.478%0.77626%0.262SS*.Hα-helixtrans-66.7-34.3178.8-71.6169.348.100112.1A160 Q161 L162 G166A160-Q164 WeakPolarHBondContact O-CG 3.43Å; A160-Q164 PolarHBondContact O-N 2.98Å; A160-Q164 PolarHBondContact O-NE2 3.27Å; Q161-Q164 WeakPolarHBondContact O-CB 3.46Å; Q161-Q164 PolarHBondContact O-N 3.38Å; L162-Q164 PolarHBondContact O-N 2.77Å; Q164-G166 PolarHBondContact O-N 3.13Å
165E92.1Very high91.7Very high87 Ų8750.1 Ų50.141%0.40728%0.281SS..Hα-helixtrans-74.7-8.4175.1-68.5177.4-167.800112.7Y123 Q161 L162 Q163 Y167Y123-E165 WeakPolarHBondContact CE2-O 3.45Å; Q161-E165 HydrophobicContact CG-CG 4.48Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.41Å; Q161-E165 PolarHBondContact NE2-OE1 2.9Å; Q161-E165 WeakPolarHBondContact O-CG 3.47Å; Q161-E165 PolarHBondContact O-N 3.3Å; L162-E165 PolarHBondContact O-N 3.36Å; Q163-E165 VanDerWaalsContact C-N 3.3Å; Q163-E165 PolarHBondContact O-N 3.24Å; E165-Y167 HydrophobicContact CB-CD2 3.69Å; E165-Y167 HydrophobicContact CB-CE2 3.62Å; E165-Y167 WeakPolarHBondContact OE2-CE2 3.43Å
166G91.1Very high91.6Very high54 Ų5451.2 Ų51.256%0.55729%0.287SS*.THydrogen-bonded Turntrans91.519.6177.200000114.5L162 Q163 Q164L162-G166 PolarHBondContact O-N 3.18Å; Q163-G166 PolarHBondContact O-N 3.29Å; Q163-G166 VanDerWaalsContact O-N 3.11Å; Q164-G166 PolarHBondContact O-N 3.13Å
167Y93.8Very high91.6Very high45 Ų4549.8 Ų49.818%0.17627%0.274CS..  trans-69.4139.5174.8-70.5-121.3000110.1C121 N122 Y123 F128 L162 E165C121-Y167 HydrophobicContact CB-CD1 4.45Å; N122-Y167 CarbonylContact O-C 3.47Å; N122-Y167 VanDerWaalsContact O-CA 3.28Å; N122-Y167 WeakPolarHBondContact O-CA 3.17Å; Y123-Y167 VanDerWaalsContact CB-CZ 3.4Å; Y123-Y167 HydrophobicContact CD1-CE1 4.37Å; Y123-Y167 HydrophobicContact CD1-CE2 4.26Å; Y123-Y167 AromaticContact CD1-CZ 3.85Å; Y123-Y167 HydrophobicContact CD2-CD1 4.27Å; Y123-Y167 AromaticContact CD2-CD2 3.37Å; Y123-Y167 HydrophobicContact CD2-CD2 3.37Å; Y123-Y167 HydrophobicContact CD2-CE1 4.09Å; Y123-Y167 AromaticContact CD2-CE2 3.16Å; Y123-Y167 HydrophobicContact CD2-CE2 3.16Å; Y123-Y167 AromaticContact CD2-CG 3.91Å; Y123-Y167 HydrophobicContact CD2-CG 3.91Å; Y123-Y167 AromaticContact CD2-CZ 3.54Å; Y123-Y167 HydrophobicContact CE2-CD2 4.02Å; Y123-Y167 AromaticContact CE2-CE2 3.6Å; Y123-Y167 HydrophobicContact CE2-CE2 3.6Å; Y123-Y167 HydrophobicContact CG-CD1 4.11Å; Y123-Y167 AromaticContact CG-CD2 3.97Å; Y123-Y167 HydrophobicContact CG-CD2 3.97Å; Y123-Y167 AromaticContact CG-CE1 3.65Å; Y123-Y167 HydrophobicContact CG-CE1 3.65Å; Y123-Y167 AromaticContact CG-CE2 3.53Å; Y123-Y167 HydrophobicContact CG-CE2 3.53Å; Y123-Y167 HydrophobicContact CG-CG 4.23Å; Y123-Y167 AromaticContact CG-CZ 3.33Å; F128-Y167 AromaticContact CE1-CD1 3.8Å; F128-Y167 HydrophobicContact CE1-CD1 3.8Å; F128-Y167 AromaticContact CE1-CE1 3.6Å; F128-Y167 HydrophobicContact CE1-CE1 3.6Å; F128-Y167 AromaticContact CZ-CD1 3.99Å; F128-Y167 HydrophobicContact CZ-CD1 3.99Å; F128-Y167 AromaticContact CZ-CE1 3.87Å; F128-Y167 HydrophobicContact CZ-CE1 3.87Å; L162-Y167 HydrophobicContact CB-CD1 4.36Å; L162-Y167 HydrophobicContact CB-CD2 4.16Å; L162-Y167 HydrophobicContact CB-CG 3.89Å; L162-Y167 HydrophobicContact CD1-CD1 4.49Å; L162-Y167 HydrophobicContact CD2-CD1 3.71Å; L162-Y167 HydrophobicContact CD2-CD2 3.94Å; L162-Y167 HydrophobicContact CD2-CE1 3.67Å; L162-Y167 HydrophobicContact CD2-CE2 3.89Å; L162-Y167 HydrophobicContact CD2-CG 3.88Å; L162-Y167 HydrophobicContact CG-CD1 4.4Å; L162-Y167 HydrophobicContact CG-CG 4.37Å; L162-Y167 VanDerWaalsContact O-CB 3.24Å; L162-Y167 WeakPolarHBondContact O-CB 3.39Å; L162-Y167 WeakPolarHBondContact O-CD2 3.46Å; L162-Y167 PolarHBondContact O-N 2.83Å; E165-Y167 HydrophobicContact CB-CD2 3.69Å; E165-Y167 HydrophobicContact CB-CE2 3.62Å; E165-Y167 WeakPolarHBondContact OE2-CE2 3.43Å
168S93.4Very high91.1Very high54 Ų5452.8 Ų52.838%0.37829%0.285SS..EExtended strand (participates in β ladder)trans-86.8113.5166.3-64.50000108.8C121 N122C121-S168 WeakPolarHBondContact CA-O 3.47Å; N122-S168 PolarHBondContact N-O 2.9Å; N122-S168 PolarHBondContact O-N 2.64Å
169I94.7Very high90.8Very high5 Ų552.7 Ų52.73%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-103130.8-179.4-52.3177.8000108.7F101 F119 L159 L162 Q163F101-I169 HydrophobicContact CB-CB 3.94Å; F101-I169 HydrophobicContact CB-CG2 4Å; F101-I169 VanDerWaalsContact CB-O 3.22Å; F101-I169 WeakPolarHBondContact CB-O 3.29Å; F101-I169 HydrophobicContact CD2-CG2 4.41Å; F101-I169 HydrophobicContact CG-CG2 4.35Å; F101-I169 PolarHBondContact N-O 3.07Å; F119-I169 HydrophobicContact CB-CG2 4.44Å; F119-I169 HydrophobicContact CD1-CG2 4.3Å; L159-I169 HydrophobicContact CB-CD1 4.29Å; L159-I169 HydrophobicContact CD2-CD1 4.08Å; L159-I169 HydrophobicContact CD2-CG2 4.19Å; L159-I169 WeakPolarHBondContact O-CD1 3.46Å; L162-I169 HydrophobicContact CB-CD1 3.83Å; L162-I169 HydrophobicContact CB-CG1 4.43Å; L162-I169 HydrophobicContact CD1-CD1 4.47Å; Q163-I169 HydrophobicContact CG-CD1 3.69Å
170F94.9Very high90.2Very high25 Ų2559.1 Ų59.111%0.1132%0.316CS..EExtended strand (participates in β ladder)trans-120.7135.3178.8-56-89.5000109.9I84 L98 I99 L100 F119 I120 N122 W127I84-F170 HydrophobicContact CD1-CD1 4.16Å; I84-F170 HydrophobicContact CD1-CD2 4.12Å; I84-F170 HydrophobicContact CD1-CE1 3.75Å; I84-F170 HydrophobicContact CD1-CE2 3.72Å; I84-F170 HydrophobicContact CD1-CG 4.34Å; I84-F170 HydrophobicContact CD1-CZ 3.52Å; I84-F170 HydrophobicContact CG1-CE1 4.21Å; I84-F170 HydrophobicContact CG1-CZ 4.08Å; L98-F170 HydrophobicContact CD1-CB 3.39Å; L98-F170 HydrophobicContact CD1-CG 4.08Å; L98-F170 HydrophobicContact CG-CB 3.94Å; L98-F170 HydrophobicContact CG-CD1 4.14Å; L98-F170 HydrophobicContact CG-CG 4.2Å; I99-F170 CarbonylContact O-C 3.48Å; I99-F170 VanDerWaalsContact O-CA 3.3Å; I99-F170 WeakPolarHBondContact O-CA 3.36Å; L100-F170 HydrophobicContact CB-CD1 4.29Å; L100-F170 HydrophobicContact CB-CE1 4.32Å; L100-F170 HydrophobicContact CD1-CD1 3.86Å; L100-F170 HydrophobicContact CD1-CE1 3.46Å; L100-F170 VanDerWaalsContact CD1-CE1 3.46Å; L100-F170 HydrophobicContact CD1-CZ 3.86Å; L100-F170 HydrophobicContact CG-CE1 4.5Å; F119-F170 CarbonylContact C-O 3.54Å; F119-F170 WeakPolarHBondContact CA-O 3.42Å; I120-F170 HydrophobicContact CB-CB 4.49Å; I120-F170 PolarHBondContact N-O 3.04Å; I120-F170 PolarHBondContact O-N 2.92Å; N122-F170 HydrophobicContact CB-CE2 4.47Å; W127-F170 HydrophobicContact CH2-CE2 4.25Å; W127-F170 HydrophobicContact CZ3-CD2 4.2Å; W127-F170 AromaticContact CZ3-CE2 3.83Å; W127-F170 HydrophobicContact CZ3-CE2 3.83Å
171V94.1Very high89.8Confident0 Ų057.6 Ų57.60%030%0.303CS..EExtended strand (participates in β ladder)trans-94132.9176.6-169.80000108.5I99 F101 Y106 E116 F119I99-V171 PolarHBondContact N-O 3.47Å; I99-V171 PolarHBondContact O-N 3.02Å; F101-V171 HydrophobicContact CB-CG2 4.05Å; F101-V171 HydrophobicContact CD2-CG2 3.66Å; F101-V171 HydrophobicContact CG-CG2 4.3Å; Y106-V171 HydrophobicContact CD2-CG2 4.24Å; Y106-V171 HydrophobicContact CE1-CG2 4.1Å; Y106-V171 HydrophobicContact CE2-CB 4.02Å; Y106-V171 HydrophobicContact CE2-CG1 3.9Å; Y106-V171 HydrophobicContact CE2-CG2 3.71Å; E116-V171 HydrophobicContact CB-CG1 4.27Å; E116-V171 HydrophobicContact CG-CG1 3.66Å; E116-V171 WeakPolarHBondContact OE2-CG1 3.27Å; F119-V171 HydrophobicContact CD1-CB 4.24Å; F119-V171 HydrophobicContact CD1-CG1 4.26Å; F119-V171 HydrophobicContact CD1-CG2 3.84Å; F119-V171 HydrophobicContact CE1-CB 4.23Å; F119-V171 HydrophobicContact CE1-CG1 3.93Å; F119-V171 HydrophobicContact CE1-CG2 3.68Å
172I94Very high89.4Confident4 Ų457.7 Ų57.72%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-95.6113.3177.5-48.4-63.3000108.9L29 L91 L96 E97 L98 A118 I120 L176L29-I172 HydrophobicContact CD1-CG1 4.26Å; L29-I172 HydrophobicContact CD2-CD1 4.09Å; L29-I172 HydrophobicContact CD2-CG1 3.98Å; L29-I172 HydrophobicContact CD2-CG2 4.35Å; L91-I172 HydrophobicContact CD1-CD1 3.82Å; L96-I172 HydrophobicContact CB-CG2 4.2Å; L96-I172 HydrophobicContact CD1-CG2 4.33Å; L96-I172 HydrophobicContact CD2-CG2 4.29Å; E97-I172 WeakPolarHBondContact O-CA 3.28Å; L98-I172 HydrophobicContact CD1-CD1 3.23Å; A118-I172 HydrophobicContact CB-CB 4.2Å; A118-I172 HydrophobicContact CB-CG1 4.16Å; A118-I172 PolarHBondContact O-N 2.55Å; I120-I172 HydrophobicContact CB-CD1 4.38Å; I120-I172 HydrophobicContact CD1-CD1 3.76Å; I120-I172 HydrophobicContact CG1-CD1 3.85Å; I120-I172 HydrophobicContact CG1-CG1 4.27Å; I172-L176 HydrophobicContact CG2-CD2 4.36Å
173R90.1Very high88.8Confident68 Ų6863.3 Ų63.326%0.25733%0.33SS..EExtended strand (participates in β ladder)trans-100.9138.8174.1-71.6-65.3-164.5-166.4-9.2110.5L96 E97 I99 E116L96-R173 CarbonylContact C-O 3.49Å; L96-R173 WeakPolarHBondContact CA-O 3.22Å; E97-R173 HydrophobicContact CB-CB 4.29Å; E97-R173 PolarHBondContact N-O 3.19Å; E97-R173 PolarHBondContact O-N 2.92Å; I99-R173 HydrophobicContact CD1-CB 4.43Å; I99-R173 HydrophobicContact CD1-CG 3.77Å; E116-R173 IonicContact OE1-CZ 3.12Å; E116-R173 IonicContact OE1-NE 3.59Å; E116-R173 IonicContact OE1-NH1 2.75Å; E116-R173 PolarHBondContact OE1-NH1 3.22Å; E116-R173 IonicContact OE1-NH2 3.63Å; E116-R173 PolarHBondContact OE1-NH2 2.72Å; E116-R173 IonicContact OE2-CZ 3.63Å; E116-R173 IonicContact OE2-NE 2.77Å; E116-R173 IonicContact OE2-NH1 2.63Å; E116-R173 PolarHBondContact OE2-NH1 3.14Å; E116-R173 IonicContact OE2-NH2 2.92Å
174G89.3Confident88.2Confident35 Ų3562 Ų6236%0.36132%0.324SS..SBendtrans132-165.517600000113.4K117K117-G174 PolarHBondContact NZ-O 2.82Å
175N88.8Confident87.7Confident133 Ų13354 Ų5471%0.71129%0.287SS*.  trans-101.6100.7178.8-74-18.4000109.7K117K117-N175 PolarHBondContact NZ-OD1 3.15Å
176L88.6Confident86.8Confident23 Ų2351.4 Ų51.412%0.1228%0.284CS..PPolyproline II helixtrans-64.3148.6169.7-67.6168.5000109.9L29 L30 L96 K117 A118 I172L29-L176 HydrophobicContact CD1-CD2 3.99Å; L29-L176 HydrophobicContact CG-CD2 4.16Å; L30-L176 HydrophobicContact CD2-CD2 4.44Å; L96-L176 HydrophobicContact CD1-CD2 3.73Å; L96-L176 HydrophobicContact CD2-CD2 4.11Å; L96-L176 HydrophobicContact CD2-CG 4.45Å; K117-L176 HydrophobicContact CB-CD1 3.77Å; A118-L176 HydrophobicContact CB-CD1 3.97Å; I172-L176 HydrophobicContact CG2-CD2 4.36Å
177P87.2Confident86Confident25 Ų2556.1 Ų56.116%0.16230%0.295CS..PPolyproline II helixtrans-61.5139.2173.826.7-34.4000110.5L30 R131L30-P177 HydrophobicContact CB-CG 4.23Å; L30-P177 HydrophobicContact CD2-CG 3.91Å; L30-P177 WeakPolarHBondContact O-CG 3.47Å; R131-P177 PolarHBondContact NH2-O 2.85Å
178E80.9Confident84.6Confident170 Ų17057 Ų5779%0.79430%0.301SS*.PPolyproline II helixtrans-64.1137.1172-66.7-174.9-176.700109.4
179C84.8Confident83.5Confident14 Ų1462.9 Ų62.910%0.09532%0.315CS..  trans-129.4155.418062.80000110.8Q31 A181 E182 Q183Q31-C179 HydrophobicContact CB-CB 3.66Å; Q31-C179 HydrophobicContact CG-CB 4.2Å; C179-A181 VanDerWaalsContact C-N 3.25Å; C179-A181 PolarHBondContact O-N 3.21Å; C179-E182 WeakPolarHBondContact O-CB 3.37Å; C179-E182 PolarHBondContact O-N 3.46Å; C179-E182 VanDerWaalsContact O-N 3.08Å; C179-Q183 PolarHBondContact O-N 3.37Å
180E79.7Confident82.4Confident139 Ų13963.1 Ų63.165%0.6532%0.316SS*.Hα-helixtrans-59.9-38.6-179.7-172.9175.3-177.400111.7E182 Q183 I184E180-E182 VanDerWaalsContact C-N 3.26Å; E180-E182 PolarHBondContact O-N 3.28Å; E180-Q183 PolarHBondContact O-N 2.86Å; E180-Q183 VanDerWaalsContact O-N 3.13Å; E180-I184 HydrophobicContact CG-CD1 3.77Å; E180-I184 HydrophobicContact CG-CG1 4.38Å; E180-I184 WeakPolarHBondContact O-CG1 3.49Å; E180-I184 PolarHBondContact O-N 2.89Å
181A81.3Confident81.2Confident1 Ų167.7 Ų67.71%0.00834%0.338CS..Hα-helixtrans-53.2-42.6173.800000112.3S10 I11 L133 C179 Q183 I184 L185S10-A181 WeakPolarHBondContact O-CB 3.47Å; I11-A181 HydrophobicContact CG1-CB 4.18Å; L133-A181 HydrophobicContact CD1-CB 4.32Å; C179-A181 VanDerWaalsContact C-N 3.25Å; C179-A181 PolarHBondContact O-N 3.21Å; A181-Q183 VanDerWaalsContact C-N 3.35Å; A181-Q183 PolarHBondContact O-N 2.77Å; A181-I184 PolarHBondContact O-N 2.73Å; A181-L185 HydrophobicContact CB-CD1 4.26Å; A181-L185 WeakPolarHBondContact O-CB 3.31Å; A181-L185 WeakPolarHBondContact O-CD1 3.36Å; A181-L185 WeakPolarHBondContact O-CG 3.27Å; A181-L185 PolarHBondContact O-N 3.26Å
182E83.2Confident80.2Confident79 Ų7971 Ų7137%0.36935%0.353SS..Hα-helixtrans-67.2-36.3-178.5-172.3164.8-168.300112.3R131 C179 E180 G186R131-E182 IonicContact NH2-OE2 2.94Å; C179-E182 WeakPolarHBondContact O-CB 3.37Å; C179-E182 PolarHBondContact O-N 3.46Å; C179-E182 VanDerWaalsContact O-N 3.08Å; E180-E182 VanDerWaalsContact C-N 3.26Å; E180-E182 PolarHBondContact O-N 3.28Å; E182-G186 PolarHBondContact O-N 3.34Å
183Q80.9Confident78.7Confident125 Ų12577.7 Ų77.758%0.58439%0.385SS*.Hα-helixtrans-69.2-45176.9-62.6178.617.900111.6C179 E180 A181C179-Q183 PolarHBondContact O-N 3.37Å; E180-Q183 PolarHBondContact O-N 2.86Å; E180-Q183 VanDerWaalsContact O-N 3.13Å; A181-Q183 VanDerWaalsContact C-N 3.35Å; A181-Q183 PolarHBondContact O-N 2.77Å
184I78.5Confident77.6Confident49 Ų4981.7 Ų81.725%0.25141%0.406SS..Hα-helixtrans-68.7-46.6-179.8-64.6172.3000110.4E180 A181 G186 I187 M188E180-I184 HydrophobicContact CG-CD1 3.77Å; E180-I184 HydrophobicContact CG-CG1 4.38Å; E180-I184 WeakPolarHBondContact O-CG1 3.49Å; E180-I184 PolarHBondContact O-N 2.89Å; A181-I184 PolarHBondContact O-N 2.73Å; I184-G186 VanDerWaalsContact C-N 3.28Å; I184-G186 PolarHBondContact O-N 3.15Å; I184-I187 PolarHBondContact O-N 3.24Å; I184-I187 VanDerWaalsContact O-N 3.16Å; I184-M188 PolarHBondContact O-N 2.92Å
185L81.1Confident77Confident0 Ų087.2 Ų87.20%042%0.416CS..Hα-helixtrans-75.5-16.2-177.8-60173.5000113.3I11 L133 F138 A181 I187 M188 V190I11-L185 HydrophobicContact CD1-CD1 3.9Å; I11-L185 HydrophobicContact CG1-CD1 3.86Å; L133-L185 HydrophobicContact CB-CD1 3.66Å; L133-L185 HydrophobicContact CD1-CD1 4.41Å; F138-L185 HydrophobicContact CE2-CD1 3.95Å; F138-L185 HydrophobicContact CZ-CD1 4.1Å; A181-L185 HydrophobicContact CB-CD1 4.26Å; A181-L185 WeakPolarHBondContact O-CB 3.31Å; A181-L185 WeakPolarHBondContact O-CD1 3.36Å; A181-L185 WeakPolarHBondContact O-CG 3.27Å; A181-L185 PolarHBondContact O-N 3.26Å; L185-I187 VanDerWaalsContact C-N 3.29Å; L185-M188 WeakPolarHBondContact CA-O 3.43Å; L185-V190 HydrophobicContact CD2-CB 4.35Å; L185-V190 HydrophobicContact CD2-CG2 3.17Å
186G72.5Confident76.5Confident32 Ų3281.7 Ų81.733%0.3339%0.388SS..Hα-helixtrans-65.4-33.6167.800000112.6Q135 E182 I184Q135-G186 PolarHBondContact NE2-O 3.07Å; E182-G186 PolarHBondContact O-N 3.34Å; I184-G186 VanDerWaalsContact C-N 3.28Å; I184-G186 PolarHBondContact O-N 3.15Å
187I74.1Confident76.1Confident153 Ų15385.7 Ų85.779%0.78540%0.401SS*.Hα-helixtrans-93.6-36.3-178-56.8169.2000110.9I184 L185I184-I187 PolarHBondContact O-N 3.24Å; I184-I187 VanDerWaalsContact O-N 3.16Å; L185-I187 VanDerWaalsContact C-N 3.29Å
188M64.6Low75.7Confident63 Ų6388.1 Ų88.131%0.3141%0.412SS..SBendtrans-123.9122.6-173.1-63.3-173.371.700112F2 N7 I184 L185F2-M188 HydrophobicContact CB-CE 3.9Å; F2-M188 HydrophobicContact CB-SD 4.46Å; N7-M188 WeakPolarHBondContact ND2-CE 3.41Å; I184-M188 PolarHBondContact O-N 2.92Å; L185-M188 WeakPolarHBondContact CA-O 3.43Å
189R70.6Confident75.4Confident177 Ų17783.9 Ų83.967%0.66839%0.394SS*.  trans-77.3133171.6-68.3-171.4179.3-171.2-2.1110.9
190V70.8Confident74.1Confident10 Ų1085 Ų856%0.06141%0.408CS..  trans-85.9140.1173.4179.10000110.1N7 M8 Q136 L149 L185N7-V190 HydrophobicContact CB-CG2 3.69Å; M8-V190 HydrophobicContact CE-CB 4.26Å; M8-V190 HydrophobicContact CE-CG1 3.18Å; M8-V190 HydrophobicContact CG-CG1 3.78Å; M8-V190 HydrophobicContact SD-CG1 3.66Å; Q136-V190 PolarHBondContact NE2-O 3.33Å; Q136-V190 PolarHBondContact OE1-O 2.97Å; L149-V190 WeakPolarHBondContact CD2-O 3.49Å; L185-V190 HydrophobicContact CD2-CB 4.35Å; L185-V190 HydrophobicContact CD2-CG2 3.17Å
191H69.6Low73.3Confident121 Ų12182.2 Ų82.256%0.5640%0.395SS*.  trans-122.1109174.3-178.280.4000108.8Q193H191-Q193 PolarHBondContact CD2-NE2 3.46Å; H191-Q193 PolarHBondContact NE2-NE2 3.17Å
192Q73.1Confident72Confident69 Ų6986.2 Ų86.232%0.32242%0.417SS..  trans-84.9116.3179.3-169.364.88.500109.9M8 L149 Q194M8-Q192 HydrophobicContact CE-CB 4.12Å; M8-Q192 HydrophobicContact CE-CG 4.37Å; L149-Q192 HydrophobicContact CB-CB 3.85Å; L149-Q192 HydrophobicContact CD2-CB 4.06Å; Q192-Q194 WeakPolarHBondContact CG-O 3.27Å; Q192-Q194 PolarHBondContact NE2-O 3.14Å
193Q62.5Low70.5Confident145 Ų14589.5 Ų89.568%0.67843%0.432SS*.SBendtrans-80.8-32.5179.1-68.4-73.5-19.800112.5H191H191-Q193 PolarHBondContact CD2-NE2 3.46Å; H191-Q193 PolarHBondContact NE2-NE2 3.17Å
194Q66.7Low69.2Low152 Ų15286.1 Ų86.171%0.7143%0.425SS*.SBendtrans-133.8133.2-179.6-66.5-174.31.300110.2Q192Q192-Q194 WeakPolarHBondContact CG-O 3.27Å; Q192-Q194 PolarHBondContact NE2-O 3.14Å
195R77.8Confident67.9Low151 Ų15189.5 Ų89.557%0.5744%0.44SS*.PPolyproline II helixtrans-65.2136.3176.6-167-179.8178.915610.1109.7E148E148-R195 VanDerWaalsContact CD-CZ 3.41Å; E148-R195 HydrophobicContact CG-CG 4.02Å; E148-R195 IonicContact OE1-CZ 2.81Å; E148-R195 IonicContact OE1-NE 3.96Å; E148-R195 PolarHBondContact OE1-NE 3.33Å; E148-R195 IonicContact OE1-NH1 3.01Å; E148-R195 IonicContact OE1-NH2 2.99Å; E148-R195 PolarHBondContact OE1-NH2 3.27Å; E148-R195 IonicContact OE2-CZ 2.87Å; E148-R195 VanDerWaalsContact OE2-CZ 3.3Å; E148-R195 IonicContact OE2-NE 2.81Å; E148-R195 PolarHBondContact OE2-NE 2.92Å; E148-R195 IonicContact OE2-NH2 2.81Å; E148-R195 PolarHBondContact OE2-NH2 3.2Å
196P77.3Confident66.4Low18 Ų1892.7 Ų92.712%0.11746%0.46CS..PPolyproline II helixtrans-60.5146.6172.326.3-33.7000110.4L144 G146 E148L144-P196 HydrophobicContact CB-CB 4.46Å; L144-P196 HydrophobicContact CD1-CG 4.37Å; G146-P196 WeakPolarHBondContact O-CG 3.47Å; E148-P196 HydrophobicContact CB-CG 3.63Å; E148-P196 HydrophobicContact CG-CG 4.31Å
197R80.8Confident65.2Low107 Ų10795.4 Ų95.440%0.40447%0.474SS..PPolyproline II helixtrans-89163.2-178.5-68.2-175.4-167.4-162.8-3.2110.7L144 T145 E201 D202L144-R197 WeakPolarHBondContact CA-O 3.39Å; T145-R197 HydrophobicContact CG2-CB 4.47Å; T145-R197 WeakPolarHBondContact CG2-O 3.46Å; T145-R197 PolarHBondContact N-O 3.45Å; T145-R197 PolarHBondContact OG1-N 3.48Å; T145-R197 PolarHBondContact OG1-O 3.21Å; R197-E201 VanDerWaalsContact CB-OE2 3.31Å; R197-E201 WeakPolarHBondContact CB-OE2 3.5Å; R197-D202 IonicContact CZ-OD1 2.83Å; R197-D202 IonicContact NH1-OD1 2.64Å; R197-D202 PolarHBondContact NH1-OD1 3.4Å
198L79.2Confident63.9Low75 Ų7596.6 Ų96.639%0.39348%0.478SS..BIsolated β-bridgetrans-74.3139.2169.2-67.6169.2000109.6L143 L144 G200 E201L143-L198 HydrophobicContact CB-CD2 4.04Å; L143-L198 CarbonylContact O-C 3.59Å; L143-L198 WeakPolarHBondContact O-CA 3.49Å; L144-L198 HydrophobicContact CD2-CD2 3.86Å; L144-L198 HydrophobicContact CD2-CG 4.5Å; L198-G200 PolarHBondContact O-N 2.86Å; L198-E201 HydrophobicContact CB-CG 3.95Å; L198-E201 PolarHBondContact N-OE2 3.38Å; L198-E201 WeakPolarHBondContact O-CB 3.48Å; L198-E201 PolarHBondContact O-N 2.68Å; L198-E201 VanDerWaalsContact O-N 3.12Å
199I73.8Confident63Low81 Ų8195.4 Ų95.442%0.41548%0.481SS..THydrogen-bonded Turntrans-61125.1174.5-62.5167.8000107.6K15 S142 L143 T145K15-I199 HydrophobicContact CB-CD1 3.83Å; K15-I199 HydrophobicContact CD-CD1 4.12Å; K15-I199 HydrophobicContact CG-CD1 4.05Å; S142-I199 VanDerWaalsContact O-CD1 3.29Å; S142-I199 WeakPolarHBondContact O-CD1 3.4Å; L143-I199 WeakPolarHBondContact O-CG1 3.44Å; L143-I199 PolarHBondContact O-N 3.26Å; T145-I199 HydrophobicContact CG2-CG1 4.08Å
200G59.1Low61.5Low38 Ų3891.4 Ų91.439%0.39248%0.477SS..THydrogen-bonded Turntrans99.9-12.3-175.300000115.4L198 D202 E203 A204L198-G200 PolarHBondContact O-N 2.86Å; G200-D202 VanDerWaalsContact C-N 3.28Å; G200-D202 PolarHBondContact O-N 3.37Å; G200-E203 PolarHBondContact O-N 2.91Å; G200-A204 PolarHBondContact O-N 2.9Å
201E62.2Low60.3Low81 Ų8197.3 Ų97.338%0.37952%0.519SS..Hα-helixtrans-64.6-34.1173.5-78.7-178.7153.400112.4R197 L198 E203 A204 Q205R197-E201 VanDerWaalsContact CB-OE2 3.31Å; R197-E201 WeakPolarHBondContact CB-OE2 3.5Å; L198-E201 HydrophobicContact CB-CG 3.95Å; L198-E201 PolarHBondContact N-OE2 3.38Å; L198-E201 WeakPolarHBondContact O-CB 3.48Å; L198-E201 PolarHBondContact O-N 2.68Å; L198-E201 VanDerWaalsContact O-N 3.12Å; E201-E203 VanDerWaalsContact C-N 3.33Å; E201-A204 PolarHBondContact O-N 3.32Å; E201-Q205 WeakPolarHBondContact O-CG 3.38Å; E201-Q205 PolarHBondContact O-N 3.11Å
202D53.8Low59.2Low85 Ų8595.2 Ų95.246%0.45552%0.523SS..Hα-helixtrans-69.1-32.7176.9-67.2-28.8000111.2R197 G200 Q205 T206R197-D202 IonicContact CZ-OD1 2.83Å; R197-D202 IonicContact NH1-OD1 2.64Å; R197-D202 PolarHBondContact NH1-OD1 3.4Å; G200-D202 VanDerWaalsContact C-N 3.28Å; G200-D202 PolarHBondContact O-N 3.37Å; D202-Q205 PolarHBondContact O-N 3.48Å; D202-T206 WeakPolarHBondContact O-CB 3.12Å; D202-T206 PolarHBondContact O-N 3.16Å; D202-T206 PolarHBondContact O-OG1 3.16Å
203E52.6Low57.8Low148 Ų14897.8 Ų97.869%0.69255%0.548SS*.Hα-helixtrans-68.9-35.8174-68.1-173.1159.800112.4G200 E201 T206 S207G200-E203 PolarHBondContact O-N 2.91Å; E201-E203 VanDerWaalsContact C-N 3.33Å; E203-T206 VanDerWaalsContact CA-OG1 3.26Å; E203-T206 WeakPolarHBondContact CA-OG1 3.36Å; E203-T206 PolarHBondContact O-OG1 2.72Å; E203-S207 WeakPolarHBondContact O-CB 3.35Å; E203-S207 PolarHBondContact O-N 2.87Å; E203-S207 PolarHBondContact O-OG 3.3Å
204A52Low56.4Low53 Ų5399.3 Ų99.344%0.43856%0.555SS.*Hα-helixtrans-69.7-35.6173.700000112.1G200 E201 S207 M208G200-A204 PolarHBondContact O-N 2.9Å; E201-A204 PolarHBondContact O-N 3.32Å; A204-S207 WeakPolarHBondContact CA-OG 3.36Å; A204-S207 PolarHBondContact O-OG 2.98Å; A204-S207 VanDerWaalsContact O-OG 3.13Å; A204-M208 PolarHBondContact O-N 2.97Å
205Q51.9Low54.9Low120 Ų12098.4 Ų98.456%0.56156%0.56SS**Hα-helixtrans-77.8-35174.9-71.5-171.7-1.900112.5E201 D202 M208 G209E201-Q205 WeakPolarHBondContact O-CG 3.38Å; E201-Q205 PolarHBondContact O-N 3.11Å; D202-Q205 PolarHBondContact O-N 3.48Å; Q205-M208 CarbonylContact O-C 3.49Å; Q205-M208 PolarHBondContact O-N 3.26Å; Q205-G209 WeakPolarHBondContact O-CA 3.48Å; Q205-G209 PolarHBondContact O-N 3.01Å
206T49.2Very low52.9Low68 Ų6899.8 Ų99.842%0.41757%0.573SS.*Hα-helixtrans-71-35.1171.145.60000111.4D202 E203 M208 G209 T210D202-T206 WeakPolarHBondContact O-CB 3.12Å; D202-T206 PolarHBondContact O-N 3.16Å; D202-T206 PolarHBondContact O-OG1 3.16Å; E203-T206 VanDerWaalsContact CA-OG1 3.26Å; E203-T206 WeakPolarHBondContact CA-OG1 3.36Å; E203-T206 PolarHBondContact O-OG1 2.72Å; T206-M208 PolarHBondContact O-N 3.16Å; T206-G209 CarbonylContact O-C 3.51Å; T206-G209 PolarHBondContact O-N 3.24Å; T206-T210 HydrophobicContact CG2-CG2 4.21Å; T206-T210 WeakPolarHBondContact O-CA 3.37Å; T206-T210 WeakPolarHBondContact O-CB 3.48Å; T206-T210 WeakPolarHBondContact O-CG2 3.44Å; T206-T210 PolarHBondContact O-N 3.16Å; T206-T210 PolarHBondContact O-OG1 2.78Å
207S48.7Very low50.8Low89 Ų89105 Ų10562%0.62260%0.604SS**Hα-helixtrans-69.7-20.2173.651.60000113.7E203 A204E203-S207 WeakPolarHBondContact O-CB 3.35Å; E203-S207 PolarHBondContact O-N 2.87Å; E203-S207 PolarHBondContact O-OG 3.3Å; A204-S207 WeakPolarHBondContact CA-OG 3.36Å; A204-S207 PolarHBondContact O-OG 2.98Å; A204-S207 VanDerWaalsContact O-OG 3.13Å
208M46.7Very low48.5Very low178 Ų178107.5 Ų107.588%0.87763%0.626SS**THydrogen-bonded Turntrans-93.3-4.1167.3-74.8-17941.600114.4A204 Q205 T206A204-M208 PolarHBondContact O-N 2.97Å; Q205-M208 CarbonylContact O-C 3.49Å; Q205-M208 PolarHBondContact O-N 3.26Å; T206-M208 PolarHBondContact O-N 3.16Å
209G43.9Very low46.4Very low37 Ų37108.3 Ų108.338%0.38164%0.643SS.*THydrogen-bonded Turntrans-132.6-6.6-172.600000116.1Q205 T206 S211 A212Q205-G209 WeakPolarHBondContact O-CA 3.48Å; Q205-G209 PolarHBondContact O-N 3.01Å; T206-G209 CarbonylContact O-C 3.51Å; T206-G209 PolarHBondContact O-N 3.24Å; G209-S211 PolarHBondContact O-N 2.92Å; G209-A212 PolarHBondContact O-N 3.29Å
210T40.8Very low44.8Very low94 Ų94108.4 Ų108.458%0.57766%0.664SS**THydrogen-bonded Turntrans-84.848.9176.644.50000111.9T206T206-T210 HydrophobicContact CG2-CG2 4.21Å; T206-T210 WeakPolarHBondContact O-CA 3.37Å; T206-T210 WeakPolarHBondContact O-CB 3.48Å; T206-T210 WeakPolarHBondContact O-CG2 3.44Å; T206-T210 PolarHBondContact O-N 3.16Å; T206-T210 PolarHBondContact O-OG1 2.78Å
211S44.7Very low43.4Very low133 Ų133115.8 Ų115.893%0.9369%0.685SS**THydrogen-bonded Turntrans-106.92.7140-56.70000111.7G209G209-S211 PolarHBondContact O-N 2.92Å
212A46.1Very low42.4Very low78 Ų78117.7 Ų117.765%0.64570%0.702SS**SBendtrans-139.6105.3-179.400000112G209G209-A212 PolarHBondContact O-N 3.29Å
213S43.6Very low41.8Very low123 Ų123118.2 Ų118.286%0.8671%0.708SS**  trans84.587.3155.7-132.30000117.7
214Q34.6Very low41.5Very low176 Ų176119.2 Ų119.282%0.82271%0.713SS**  trans-148.189136.1-139.6172.96.300110.1
215V34.6Very low41.3Very low134 Ų134123.4 Ų123.481%0.81273%0.728SS**  trans-87.3113157.1174.10000106.5T217V215-T217 HydrophobicContact CG1-CG2 4.38Å
216Q35.7Very low41.3Very low180 Ų180124.7 Ų124.784%0.84173%0.734SS**  trans-107.3120.7157.2-144169.821.400106.9
217T33.9Very low41.8Very low126 Ų126127.8 Ų127.877%0.77375%0.748SS**  trans-69.9121.4-173.249.90000112.1V215V215-T217 HydrophobicContact CG1-CG2 4.38Å
218D31.3Very low42.5Very low161 Ų161129.5 Ų129.586%0.86175%0.747SS**  trans-155.6138.9134.3-160.720.2000110.8
219A35Very low43.5Very low92 Ų92128.2 Ų128.276%0.7674%0.738SS**SBendtrans6585.6174.100000119.7
220G40.6Very low44.7Very low82 Ų82131.6 Ų131.685%0.84575%0.747SS**  trans5488.4133.300000120.2
221F30.3Very low46Very low193 Ų193133.8 Ų133.885%0.84675%0.749SS**  trans-155.3139146.2-161.2-105.7000110.4V223F221-V223 HydrophobicContact CD1-CG2 4.04Å
222V40.7Very low47.4Very low121 Ų121136 Ų13673%0.73374%0.737SS**  trans-79.6119-178.5-177.30000108.4
223V42Very low48.6Very low96 Ų96134.6 Ų134.658%0.58273%0.725SS**  trans-138.490.8168.3-144.20000107.7F221 E226F221-V223 HydrophobicContact CD1-CG2 4.04Å; V223-E226 HydrophobicContact CG1-CG 4.33Å
224E44.6Very low49.9Very low170 Ų170134.3 Ų134.379%0.79471%0.713SS**  trans-107.92.5174.5-88-174.8157.200112.6
225D48.4Very low51.6Low141 Ų141128.2 Ų128.275%0.75469%0.693SS**SBendtrans-99.2-16.6-168.4-68.7-36000115.4
226E51.6Low53.1Low146 Ų146126 Ų12668%0.68268%0.676SS**Hα-helixtrans-83.7-25.6-172.6-64.1-176150.200114V223 L230V223-E226 HydrophobicContact CG1-CG 4.33Å; E226-L230 PolarHBondContact O-N 3.21Å
227D59.4Low54.3Low134 Ų134121.7 Ų121.772%0.71767%0.666SS**Hα-helixtrans-73.9-29.3-177.9-96.6-5.8000112.9K231D227-K231 WeakPolarHBondContact O-CB 3.16Å; D227-K231 PolarHBondContact O-N 3.41Å
228E64Low55.7Low125 Ų125126.1 Ų126.158%0.58467%0.668SS**Hα-helixtrans-78.5-37.2177.6-94.4-64.9133.800112.2K231 R232E228-K231 PolarHBondContact O-N 3.34Å; E228-R232 WeakPolarHBondContact O-CB 3.25Å; E228-R232 PolarHBondContact O-N 3.39Å
229E67.8Low56.8Low150 Ų150125.5 Ų125.570%0.70166%0.66SS**Hα-helixtrans-68-38.2177.7-168.6156-155.400111.4R232 A233E229-R232 WeakPolarHBondContact O-CB 3.37Å; E229-R232 PolarHBondContact O-N 3.47Å; E229-A233 PolarHBondContact O-N 3.01Å
230L68.6Low57.5Low108 Ų108127.6 Ų127.657%0.56566%0.659SS**Hα-helixtrans-68-39.7174.5-172.863.2000112.4E226 R232 A233 L234E226-L230 PolarHBondContact O-N 3.21Å; L230-R232 VanDerWaalsContact C-N 3.29Å; L230-R232 PolarHBondContact O-N 3.34Å; L230-A233 PolarHBondContact O-N 3.39Å; L230-L234 PolarHBondContact O-N 3.12Å
231K69.2Low57.5Low141 Ų141130.2 Ų130.261%0.61365%0.651SS**Hα-helixtrans-62.6-38.8173.4-129.6170.3-175.6171.50111.7D227 E228 A235D227-K231 WeakPolarHBondContact O-CB 3.16Å; D227-K231 PolarHBondContact O-N 3.41Å; E228-K231 PolarHBondContact O-N 3.34Å; K231-A235 WeakPolarHBondContact O-CB 3.35Å; K231-A235 PolarHBondContact O-N 3.1Å
232R73.9Confident58.3Low179 Ų179127.9 Ų127.968%0.67565%0.647SS**Hα-helixtrans-67-42.2176.7-159.7-179.8-166.4132.31111.4E228 E229 L230 A235 L236E228-R232 WeakPolarHBondContact O-CB 3.25Å; E228-R232 PolarHBondContact O-N 3.39Å; E229-R232 WeakPolarHBondContact O-CB 3.37Å; E229-R232 PolarHBondContact O-N 3.47Å; L230-R232 VanDerWaalsContact C-N 3.29Å; L230-R232 PolarHBondContact O-N 3.34Å; R232-A235 PolarHBondContact O-N 3.01Å; R232-L236 HydrophobicContact CG-CD1 4.03Å; R232-L236 WeakPolarHBondContact O-CB 3.34Å; R232-L236 WeakPolarHBondContact O-CD1 3.26Å; R232-L236 WeakPolarHBondContact O-CG 3.47Å; R232-L236 PolarHBondContact O-N 3.35Å
233A71.9Confident58.9Low49 Ų49127.1 Ų127.141%0.40564%0.642SS.*Hα-helixtrans-62.8-43.9176.200000112.4E229 L230 A235 L236 S237E229-A233 PolarHBondContact O-N 3.01Å; L230-A233 PolarHBondContact O-N 3.39Å; A233-A235 VanDerWaalsContact C-N 3.34Å; A233-A235 PolarHBondContact O-N 3.45Å; A233-L236 PolarHBondContact O-N 3.35Å; A233-S237 PolarHBondContact O-N 3.28Å
234L69.8Low59.2Low117 Ų117130.9 Ų130.961%0.61365%0.653SS**Hα-helixtrans-66.7-33.7175.8-73.7169.3000112.8L230 R238L230-L234 PolarHBondContact O-N 3.12Å; L234-R238 PolarHBondContact O-N 3.26Å
235A69.6Low59.8Low47 Ų47128.4 Ų128.439%0.38865%0.646SS.*Hα-helixtrans-71-38.5174.100000112.3K231 R232 A233 R238 Q239K231-A235 WeakPolarHBondContact O-CB 3.35Å; K231-A235 PolarHBondContact O-N 3.1Å; R232-A235 PolarHBondContact O-N 3.01Å; A233-A235 VanDerWaalsContact C-N 3.34Å; A233-A235 PolarHBondContact O-N 3.45Å; A235-R238 PolarHBondContact O-N 3.21Å; A235-Q239 PolarHBondContact O-N 3.47Å; A235-Q239 VanDerWaalsContact O-N 3.16Å
236L67.8Low60.2Low88 Ų88128.5 Ų128.546%0.46164%0.642SS.*Hα-helixtrans-66.9-42.4174.8-79.2157.1000111.6R232 A233 R238 Q239 D240R232-L236 HydrophobicContact CG-CD1 4.03Å; R232-L236 WeakPolarHBondContact O-CB 3.34Å; R232-L236 WeakPolarHBondContact O-CD1 3.26Å; R232-L236 WeakPolarHBondContact O-CG 3.47Å; R232-L236 PolarHBondContact O-N 3.35Å; A233-L236 PolarHBondContact O-N 3.35Å; L236-R238 PolarHBondContact O-N 3.5Å; L236-Q239 PolarHBondContact O-N 3.25Å; L236-D240 PolarHBondContact O-N 3.38Å
237S60.8Low60.6Low90 Ų90127.1 Ų127.163%0.62964%0.635SS**Hα-helixtrans-64.4-23.5172-78.50000113.8A233A233-S237 PolarHBondContact O-N 3.28Å
238R62.5Low60.7Low218 Ų218123.1 Ų123.182%0.82362%0.621SS**THydrogen-bonded Turntrans-81.1-16.9171.1-101.6179.167-140.80.6113.6L234 A235 L236L234-R238 PolarHBondContact O-N 3.26Å; A235-R238 PolarHBondContact O-N 3.21Å; L236-R238 PolarHBondContact O-N 3.5Å
239Q54.8Low60.7Low148 Ų148121.1 Ų121.169%0.69261%0.614SS**THydrogen-bonded Turntrans-95.4-27.3177.2-83.8-178.8-13.300112.9A235 L236 M241A235-Q239 PolarHBondContact O-N 3.47Å; A235-Q239 VanDerWaalsContact O-N 3.16Å; L236-Q239 PolarHBondContact O-N 3.25Å; Q239-M241 VanDerWaalsContact C-N 3.29Å; Q239-M241 PolarHBondContact O-N 3.06Å
240D49Very low60.6Low137 Ų137117.7 Ų117.773%0.73360%0.603SS**SBendtrans-90.338.5178.1-79.5-13.5000114.1L236L236-D240 PolarHBondContact O-N 3.38Å
241M39.9Very low60.6Low136 Ų136120.2 Ų120.267%0.6761%0.605SS**  trans-117.994.4152.4-63-152.4-3000107.7Q239 V243Q239-M241 VanDerWaalsContact C-N 3.29Å; Q239-M241 PolarHBondContact O-N 3.06Å; M241-V243 HydrophobicContact CB-CG1 4.41Å; M241-V243 HydrophobicContact CE-CG1 4.27Å; M241-V243 PolarHBondContact O-N 3.44Å
242D47.8Very low60.6Low145 Ų145121.2 Ų121.278%0.77561%0.605SS**  trans-58.887.7163.8-77.4-38.9000108.5E244D242-E244 PolarHBondContact O-N 3.24Å
243V52.5Low60.5Low104 Ų104115.2 Ų115.263%0.6359%0.594SS**THydrogen-bonded Turntrans-80.320.4174.3-80.10000112.2M241M241-V243 HydrophobicContact CB-CG1 4.41Å; M241-V243 HydrophobicContact CE-CG1 4.27Å; M241-V243 PolarHBondContact O-N 3.44Å
244E50Low60.5Low175 Ų175117.7 Ų117.782%0.81860%0.599SS**THydrogen-bonded Turntrans-87.3-15.4-177.4-66.1-163.2153.200114.3D242D242-E244 PolarHBondContact O-N 3.24Å
245D57.3Low60.4Low119 Ų119117.8 Ų117.864%0.63660%0.597SS**SBendtrans-104.4-22.9-176.8-120.4-5.9000115E247 A248 D249D245-E247 PolarHBondContact O-N 3.45Å; D245-A248 PolarHBondContact O-N 3.13Å; D245-D249 PolarHBondContact O-N 3.09Å
246E55.9Low60.2Low143 Ų143121.1 Ų121.167%0.66861%0.607SS**Hα-helixtrans-73.2-30.6-176.7-71.6-80.4150.900112.7V250E246-V250 WeakPolarHBondContact O-CB 3.28Å; E246-V250 WeakPolarHBondContact O-CG2 3.3Å; E246-V250 PolarHBondContact O-N 3.04Å
247E59.6Low60Low117 Ų117121.7 Ų121.755%0.54762%0.619SS.*Hα-helixtrans-75.7-28.7178.9-170.1165.1179.600112.5D245 R251D245-E247 PolarHBondContact O-N 3.45Å; E247-R251 WeakPolarHBondContact O-CB 3.39Å; E247-R251 WeakPolarHBondContact O-CD 3.4Å; E247-R251 WeakPolarHBondContact O-CG 3.16Å; E247-R251 PolarHBondContact O-N 3.38Å; E247-R251 VanDerWaalsContact O-N 3.1Å; E247-R251 IonicContact OE1-CZ 3.37Å; E247-R251 IonicContact OE1-NE 3.38Å; E247-R251 PolarHBondContact OE1-NE 3.16Å; E247-R251 IonicContact OE1-NH2 2.68Å; E247-R251 PolarHBondContact OE1-NH2 2.9Å
248A61.8Low59.9Low49 Ų49124.9 Ų124.941%0.40563%0.625SS.*Hα-helixtrans-71.3-41.3175.500000111.6D245 R251 R252D245-A248 PolarHBondContact O-N 3.13Å; A248-R251 PolarHBondContact O-N 2.95Å; A248-R252 WeakPolarHBondContact O-CB 3.34Å; A248-R252 PolarHBondContact O-N 3.43Å
249D63.2Low59.5Low84 Ų84120.8 Ų120.845%0.44962%0.615SS.*Hα-helixtrans-74.3-34.9179.7-81.8-13.6000112.8D245 R252 A253D245-D249 PolarHBondContact O-N 3.09Å; D249-R252 PolarHBondContact O-N 3.32Å; D249-R252 IonicContact OD1-NE 3.67Å; D249-A253 WeakPolarHBondContact O-CB 3.49Å; D249-A253 PolarHBondContact O-N 3.07Å
250V66.2Low59.3Low77 Ų77117.2 Ų117.247%0.46762%0.618SS.*Hα-helixtrans-64.7-41.9170.6172.30000111.1E246 R252 A253 I254E246-V250 WeakPolarHBondContact O-CB 3.28Å; E246-V250 WeakPolarHBondContact O-CG2 3.3Å; E246-V250 PolarHBondContact O-N 3.04Å; V250-R252 PolarHBondContact O-N 3.48Å; V250-A253 PolarHBondContact O-N 3.38Å; V250-I254 HydrophobicContact CG1-CD1 4.03Å; V250-I254 WeakPolarHBondContact O-CG1 3.46Å; V250-I254 PolarHBondContact O-N 3.08Å; V250-I254 VanDerWaalsContact O-N 3.11Å
251R68.4Low59.4Low161 Ų161114.7 Ų114.761%0.60862%0.617SS**Hα-helixtrans-63.5-39.3174.9-75.1172.6-176.6-1704.6112.1E247 A248 Q255E247-R251 WeakPolarHBondContact O-CB 3.39Å; E247-R251 WeakPolarHBondContact O-CD 3.4Å; E247-R251 WeakPolarHBondContact O-CG 3.16Å; E247-R251 PolarHBondContact O-N 3.38Å; E247-R251 VanDerWaalsContact O-N 3.1Å; E247-R251 IonicContact OE1-CZ 3.37Å; E247-R251 IonicContact OE1-NE 3.38Å; E247-R251 PolarHBondContact OE1-NE 3.16Å; E247-R251 IonicContact OE1-NH2 2.68Å; E247-R251 PolarHBondContact OE1-NH2 2.9Å; A248-R251 PolarHBondContact O-N 2.95Å; R251-Q255 PolarHBondContact O-N 3.12Å; R251-Q255 VanDerWaalsContact O-N 3.14Å
252R69Low59.6Low162 Ų162114.3 Ų114.361%0.61162%0.622SS**Hα-helixtrans-64.4-44175.6-167.8-166.2-59.9-112.31.7111.9A248 D249 V250 I254 Q255 L256A248-R252 WeakPolarHBondContact O-CB 3.34Å; A248-R252 PolarHBondContact O-N 3.43Å; D249-R252 PolarHBondContact O-N 3.32Å; D249-R252 IonicContact OD1-NE 3.67Å; V250-R252 PolarHBondContact O-N 3.48Å; R252-I254 PolarHBondContact O-N 3.33Å; R252-Q255 PolarHBondContact O-N 3.11Å; R252-L256 HydrophobicContact CG-CD1 4.13Å; R252-L256 WeakPolarHBondContact O-CG 3.38Å; R252-L256 PolarHBondContact O-N 3.48Å
253A72.3Confident59Low53 Ų53115.3 Ų115.344%0.43862%0.624SS.*Hα-helixtrans-64.4-38.518000000112.8D249 V250 S257D249-A253 WeakPolarHBondContact O-CB 3.49Å; D249-A253 PolarHBondContact O-N 3.07Å; V250-A253 PolarHBondContact O-N 3.38Å; A253-S257 PolarHBondContact O-N 2.92Å; A253-S257 PolarHBondContact O-OG 3.48Å
254I71.7Confident58Low102 Ų102115.1 Ų115.152%0.52363%0.627SS.*Hα-helixtrans-68.5-40.4176-66.3171.3000110.8V250 R252 S257 M258V250-I254 HydrophobicContact CG1-CD1 4.03Å; V250-I254 WeakPolarHBondContact O-CG1 3.46Å; V250-I254 PolarHBondContact O-N 3.08Å; V250-I254 VanDerWaalsContact O-N 3.11Å; R252-I254 PolarHBondContact O-N 3.33Å; I254-S257 WeakPolarHBondContact O-CB 3.38Å; I254-S257 PolarHBondContact O-N 2.96Å; I254-M258 PolarHBondContact O-N 3.42Å
255Q67.2Low57.1Low119 Ų119114.7 Ų114.756%0.55663%0.631SS**Hα-helixtrans-68.8-37.8179.4-171.1150.711.800113.1R251 R252 S257 M258 Q259R251-Q255 PolarHBondContact O-N 3.12Å; R251-Q255 VanDerWaalsContact O-N 3.14Å; R252-Q255 PolarHBondContact O-N 3.11Å; Q255-S257 VanDerWaalsContact C-N 3.27Å; Q255-S257 PolarHBondContact O-N 3.3Å; Q255-M258 PolarHBondContact O-N 3.17Å; Q255-Q259 PolarHBondContact O-N 3.24Å
256L65.7Low55.8Low116 Ų116114.3 Ų114.361%0.60764%0.637SS**Hα-helixtrans-63-34.9172.5-75.3165.4000111.8R252 Q259 G260R252-L256 HydrophobicContact CG-CD1 4.13Å; R252-L256 WeakPolarHBondContact O-CG 3.38Å; R252-L256 PolarHBondContact O-N 3.48Å; L256-Q259 PolarHBondContact O-N 3.49Å; L256-G260 PolarHBondContact O-N 3.14Å
257S63.8Low54.5Low101 Ų101112.6 Ų112.671%0.70664%0.641SS**Hα-helixtrans-70.6-29.9177.2-60.70000113A253 I254 Q255A253-S257 PolarHBondContact O-N 2.92Å; A253-S257 PolarHBondContact O-OG 3.48Å; I254-S257 WeakPolarHBondContact O-CB 3.38Å; I254-S257 PolarHBondContact O-N 2.96Å; Q255-S257 VanDerWaalsContact C-N 3.27Å; Q255-S257 PolarHBondContact O-N 3.3Å
258M59.6Low53Low156 Ų156112.8 Ų112.877%0.76866%0.655SS**Hα-helixtrans-81.7-22.2176.7-77.4-175.565.100114.1I254 Q255I254-M258 PolarHBondContact O-N 3.42Å; Q255-M258 PolarHBondContact O-N 3.17Å
259Q53.8Low51.4Low132 Ų132119 Ų11962%0.61768%0.676SS**Hα-helixtrans-92-9.7-179.5-72.3172.118.600113.8Q255 L256 A261Q255-Q259 PolarHBondContact O-N 3.24Å; L256-Q259 PolarHBondContact O-N 3.49Å; Q259-A261 PolarHBondContact O-N 2.92Å
260G49.6Very low49.7Very low73 Ų73121.2 Ų121.275%0.75370%0.696SS**SBendtrans-74.5-0.1178.100000115.9L256L256-G260 PolarHBondContact O-N 3.14Å
261A52.6Low47.8Very low84 Ų84126.2 Ų126.269%0.69472%0.715SS**SBendtrans-10974.4174.700000110.1Q259Q259-A261 PolarHBondContact O-N 2.92Å
262V43.7Very low45.9Very low129 Ų129122.8 Ų122.878%0.78272%0.721SS**SBendtrans174.5127.6149.1154.20000108.5
263M34.8Very low44Very low165 Ų165123 Ų12381%0.81373%0.733SS**  trans103.793170.3-45.5-152.188.600118.8
264S32.3Very low41.8Very low100 Ų100124 Ų12470%0.69975%0.748SS**  72.399.6118.3-45.50000121.5
265N31.4Very low39.8Very low167 Ų167126.1 Ų126.189%0.89377%0.766SS**  39101.2108.2-143.546.9000118.9
266S28.2Very low38Very low111 Ų111130.2 Ų130.278%0.77678%0.782SS**  trans-178.4131.2131.755.60000112.2
267S29.6Very low36.2Very low106 Ų106129.7 Ų129.774%0.74179%0.788SS**  trans-28.1145.616549.80000118
268S27.9Very low34.4Very low122 Ų122129.7 Ų129.785%0.85379%0.788SS**  -174.5137.6121.6-78.20000112.6
269E27.4Very low32.9Very low178 Ų178128.4 Ų128.483%0.83279%0.794SS**  trans-60.4156173.1-67.7157.195.500113.8
270C27.5Very low31.7Very low131 Ų131127.2 Ų127.289%0.88581%0.807SS**  -160.1126.7126.451.90000112.3
271E27.7Very low30.7Very low183 Ų183127.4 Ų127.486%0.85581%0.809SS**  trans-74.9159.4172.8-57.2-176.5124.600112.8
272A28.8Very low29.6Very low89 Ų89133.5 Ų133.574%0.73682%0.823SS**  trans155.1139.4137.200000109.6
273L28.7Very low28.9Very low167 Ų167130.7 Ų130.787%0.87482%0.82SS**  cis-165.4139.6-0.6-98.8163.5000105.5
274G25.3Very low28.9Very low73 Ų73132.3 Ų132.375%0.75383%0.826SS**  trans-90.1145.7171.300000112.3
275V29.7Very low28.8Very low146 Ų146136.2 Ų136.289%0.88583%0.83SS**  trans-135125.5161.7178.20000108.8
276K30Very low28.9Very low206 Ų206135.3 Ų135.390%0.89683%0.83SS**  trans-93.2148174.7-75.4178.7174178.20111.1
277S27.6Very low29.3Very low104 Ų104137.3 Ų137.373%0.72783%0.827SS**  trans-176.5100.6143.9175.10000108.2
278S27Very low29.8Very low102 Ų102137.5 Ų137.571%0.71383%0.829SS**  49.1111.297.761.40000117
279S27.9Very low30.8Very low129 Ų129139.5 Ų139.590%0.90282%0.824SS**  168.9158.7111.151.70000112.9
280A27.6Very low31.9Very low107 Ų107137.6 Ų137.688%0.88483%0.825SS**  trans-68.2158.9-163.400000117.1
281G28.5Very low33.5Very low77 Ų77134.9 Ų134.979%0.79480%0.801SS**  trans152.570.6158.200000114.8G283G281-G283 PolarHBondContact O-N 3.17Å
282E29.1Very low35.8Very low212 Ų212130 Ų13099%0.99178%0.784SS**  trans-80103.4174-77.2-177.615000111
283G30.2Very low37.4Very low70 Ų70129.9 Ų129.972%0.72278%0.783SS**  trans-117.2129.9159.900000109G281 K285G281-G283 PolarHBondContact O-N 3.17Å; G283-K285 PolarHBondContact O-N 2.99Å
284Q34.6Very low39.1Very low199 Ų199129.6 Ų129.693%0.9378%0.778SS**  trans-48.9122.2-178.3-74.6163.6-52.300113.8
285K30.2Very low41.5Very low182 Ų182131 Ų13179%0.79177%0.765SS**  trans-144.2104.7148.1-92.7-175.5177.4179.30108G283 Q287G283-K285 PolarHBondContact O-N 2.99Å; K285-Q287 VanDerWaalsContact C-N 3.34Å; K285-Q287 PolarHBondContact O-N 3.04Å
286V33.9Very low43.6Very low148 Ų148127.4 Ų127.490%0.89774%0.74SS**  trans-7195.2167.71780000106.7
287Q35.5Very low45.9Very low153 Ų153126.3 Ų126.372%0.71573%0.73SS**  trans-84.5121.4161.7-67.7-173.421.500106.8K285 E289K285-Q287 VanDerWaalsContact C-N 3.34Å; K285-Q287 PolarHBondContact O-N 3.04Å; Q287-E289 VanDerWaalsContact C-N 3.26Å; Q287-E289 PolarHBondContact O-N 3.33Å
288S40.9Very low48.6Very low110 Ų110129.3 Ų129.377%0.76973%0.73SS**  trans-69.387.2168.6540000108.5T290S288-T290 PolarHBondContact O-N 3.41Å; S288-T290 VanDerWaalsContact O-N 3.12Å
289E48.3Very low51.3Low163 Ų163132.7 Ų132.776%0.76273%0.727SS**  trans-64.1110169-71.9-179.2164.700108.3Q287 L291Q287-E289 VanDerWaalsContact C-N 3.26Å; Q287-E289 PolarHBondContact O-N 3.33Å; E289-L291 VanDerWaalsContact C-N 3.35Å; E289-L291 PolarHBondContact O-N 3Å
290T50.5Low53.9Low138 Ų138134.6 Ų134.685%0.84772%0.715SS**  trans-64.396.316939.70000108.4S288 T292S288-T290 PolarHBondContact O-N 3.41Å; S288-T290 VanDerWaalsContact O-N 3.12Å; T290-T292 PolarHBondContact O-N 3.42Å
291L62.4Low56.6Low74 Ų74135.1 Ų135.139%0.38770%0.699SS.*  trans-54.1135.6174.7-67.3166.2000109.9E289 E295E289-L291 VanDerWaalsContact C-N 3.35Å; E289-L291 PolarHBondContact O-N 3Å; L291-E295 HydrophobicContact CB-CB 4.43Å; L291-E295 HydrophobicContact CD2-CB 4.49Å
292T74.4Confident59.2Low81 Ų81134.2 Ų134.250%0.49768%0.684SS.*  trans-63.7153.9177.354.20000110.8T290 E294 E295 L296T290-T292 PolarHBondContact O-N 3.42Å; T292-E294 PolarHBondContact O-N 3.44Å; T292-E294 VanDerWaalsContact O-N 3.1Å; T292-E295 PolarHBondContact N-OE2 3.28Å; T292-E295 VanDerWaalsContact N-OE2 3.14Å; T292-E295 PolarHBondContact O-N 3.48Å; T292-E295 WeakPolarHBondContact OG1-CG 3.38Å; T292-E295 PolarHBondContact OG1-OE2 3.13Å; T292-L296 PolarHBondContact O-N 3.15Å; T292-L296 VanDerWaalsContact O-N 3.08Å
293A63.6Low61.7Low86 Ų86131.6 Ų131.671%0.71167%0.666SS**Hα-helixtrans-56.4-31.4-175.700000113R297A293-R297 WeakPolarHBondContact O-CB 3.42Å; A293-R297 PolarHBondContact O-N 3.38Å; A293-R297 VanDerWaalsContact O-N 3.09Å
294E64.4Low63.8Low162 Ų162134.4 Ų134.476%0.75766%0.658SS**Hα-helixtrans-69.3-42.3175.1-99.9-172.7140.800113.2T292 R297 K298T292-E294 PolarHBondContact O-N 3.44Å; T292-E294 VanDerWaalsContact O-N 3.1Å; E294-R297 PolarHBondContact O-N 3.03Å; E294-K298 WeakPolarHBondContact O-CB 3.32Å; E294-K298 PolarHBondContact O-N 3.23Å
295E76Confident65.7Low103 Ų103128.6 Ų128.648%0.48163%0.634SS.*Hα-helixtrans-66.7-40.3178.2-72.8169.8137.300111.4L291 T292 R297 K298 R299L291-E295 HydrophobicContact CB-CB 4.43Å; L291-E295 HydrophobicContact CD2-CB 4.49Å; T292-E295 PolarHBondContact N-OE2 3.28Å; T292-E295 VanDerWaalsContact N-OE2 3.14Å; T292-E295 PolarHBondContact O-N 3.48Å; T292-E295 WeakPolarHBondContact OG1-CG 3.38Å; T292-E295 PolarHBondContact OG1-OE2 3.13Å; E295-R297 VanDerWaalsContact C-N 3.32Å; E295-R297 PolarHBondContact O-N 3.33Å; E295-K298 PolarHBondContact O-N 3.09Å; E295-R299 WeakPolarHBondContact O-CB 3.42Å; E295-R299 PolarHBondContact O-N 3.01Å
296L73Confident68Low69 Ų69128.3 Ų128.336%0.36163%0.628SS.*Hα-helixtrans-64.3-39.8175.9-167.666.4000111.4T292 R299 R300T292-L296 PolarHBondContact O-N 3.15Å; T292-L296 VanDerWaalsContact O-N 3.08Å; L296-R299 PolarHBondContact O-N 2.99Å; L296-R300 WeakPolarHBondContact O-CG 3.48Å; L296-R300 PolarHBondContact O-N 3.48Å
297R78.6Confident69.8Low184 Ų184126.2 Ų126.269%0.69461%0.608SS**Hα-helixtrans-62.7-46.9175.1-170.1179.2-172.1174.83.8111.3A293 E294 E295 R299 R300 Q301A293-R297 WeakPolarHBondContact O-CB 3.42Å; A293-R297 PolarHBondContact O-N 3.38Å; A293-R297 VanDerWaalsContact O-N 3.09Å; E294-R297 PolarHBondContact O-N 3.03Å; E295-R297 VanDerWaalsContact C-N 3.32Å; E295-R297 PolarHBondContact O-N 3.33Å; R297-R299 VanDerWaalsContact C-N 3.32Å; R297-R299 PolarHBondContact O-N 3.32Å; R297-R300 PolarHBondContact O-N 3.03Å; R297-Q301 PolarHBondContact O-N 3.37Å
298K84.4Confident71.3Confident167 Ų167124.7 Ų124.773%0.72660%0.601SS**Hα-helixtrans-63.6-38179.6-157.9172.7-172.4175.70112E294 E295 Q301 A302E294-K298 WeakPolarHBondContact O-CB 3.32Å; E294-K298 PolarHBondContact O-N 3.23Å; E295-K298 PolarHBondContact O-N 3.09Å; K298-Q301 PolarHBondContact O-N 2.88Å; K298-A302 PolarHBondContact O-N 2.75Å
299R84.3Confident72.3Confident172 Ų172126.8 Ų126.865%0.64960%0.599SS**Hα-helixtrans-69.3-39.3178-154.1173.5-169.21501.1112.6E295 L296 R297 Y303E295-R299 WeakPolarHBondContact O-CB 3.42Å; E295-R299 PolarHBondContact O-N 3.01Å; L296-R299 PolarHBondContact O-N 2.99Å; R297-R299 VanDerWaalsContact C-N 3.32Å; R297-R299 PolarHBondContact O-N 3.32Å; R299-Y303 PolarHBondContact O-N 3.22Å; R299-Y303 VanDerWaalsContact O-N 3.14Å
300R82.1Confident72.8Confident170 Ų170126.4 Ų126.464%0.64260%0.597SS**Hα-helixtrans-64.6-40.6173-72.7173-178.8-178.30.8111.7L296 R297 Y303 F304L296-R300 WeakPolarHBondContact O-CG 3.48Å; L296-R300 PolarHBondContact O-N 3.48Å; R297-R300 PolarHBondContact O-N 3.03Å; R300-Y303 PolarHBondContact O-N 3.09Å; R300-F304 PolarHBondContact O-N 2.93Å; R300-F304 VanDerWaalsContact O-N 3.13Å
301Q84.1Confident72.8Confident118 Ų118123.5 Ų123.555%0.55159%0.587SS**Hα-helixtrans-65-45178-167.1132.116.300111.9R297 K298 Y303 F304 D305R297-Q301 PolarHBondContact O-N 3.37Å; K298-Q301 PolarHBondContact O-N 2.88Å; Q301-Y303 VanDerWaalsContact C-N 3.28Å; Q301-Y303 PolarHBondContact O-N 3.48Å; Q301-F304 PolarHBondContact O-N 3.1Å; Q301-F304 VanDerWaalsContact O-N 3.15Å; Q301-D305 PolarHBondContact O-N 3.44Å
302A82.8Confident72Confident58 Ų58127.9 Ų127.948%0.47961%0.605SS.*Hα-helixtrans-62.3-33.417600000113.2K298 R306K298-A302 PolarHBondContact O-N 2.75Å; A302-R306 WeakPolarHBondContact O-CB 3.38Å; A302-R306 PolarHBondContact O-N 3.31Å; A302-R306 VanDerWaalsContact O-N 3.09Å
303Y82.4Confident70.6Confident156 Ų156129.4 Ų129.461%0.61262%0.617SS**Hα-helixtrans-65.6-45174.2-176.1-91.2000111.4R299 R300 Q301 R306 Q307R299-Y303 PolarHBondContact O-N 3.22Å; R299-Y303 VanDerWaalsContact O-N 3.14Å; R300-Y303 PolarHBondContact O-N 3.09Å; Q301-Y303 VanDerWaalsContact C-N 3.28Å; Q301-Y303 PolarHBondContact O-N 3.48Å; Y303-R306 PolarHBondContact O-N 3.08Å; Y303-Q307 PolarHBondContact O-N 3.01Å
304F74.6Confident69.4Low129 Ų129133.1 Ų133.157%0.56663%0.625SS**Hα-helixtrans-62.9-43.5178.4-128.4-88.6000112.1R300 Q301 Q307 Q308R300-F304 PolarHBondContact O-N 2.93Å; R300-F304 VanDerWaalsContact O-N 3.13Å; Q301-F304 PolarHBondContact O-N 3.1Å; Q301-F304 VanDerWaalsContact O-N 3.15Å; F304-Q307 PolarHBondContact O-N 3.34Å; F304-Q308 PolarHBondContact O-N 3.48Å
305D73.2Confident68.2Low78 Ų78132.4 Ų132.442%0.41762%0.624SS.*Hα-helixtrans-65-40.4177.8-71.9-16.7000111.9Q301 Q307 Q308 Q309Q301-D305 PolarHBondContact O-N 3.44Å; D305-Q307 VanDerWaalsContact C-N 3.31Å; D305-Q307 PolarHBondContact O-N 3.42Å; D305-Q308 PolarHBondContact O-N 3.12Å; D305-Q309 WeakPolarHBondContact O-CG 3.45Å; D305-Q309 PolarHBondContact O-N 3.14Å
306R77.9Confident66.3Low176 Ų176133 Ų13366%0.66464%0.637SS**Hα-helixtrans-64.5-36.8175.8-177.2-179.5-95.6-145.3-3.2111.7A302 Y303 Q309 Q310A302-R306 WeakPolarHBondContact O-CB 3.38Å; A302-R306 PolarHBondContact O-N 3.31Å; A302-R306 VanDerWaalsContact O-N 3.09Å; Y303-R306 PolarHBondContact O-N 3.08Å; R306-Q309 PolarHBondContact O-N 3.46Å; R306-Q310 PolarHBondContact O-N 2.93Å
307Q71.9Confident64.3Low103 Ų103139.2 Ų139.248%0.48166%0.664SS.*Hα-helixtrans-71.6-34.9178.4-149.9178.520.300111.9Y303 F304 D305 Q310 A311Y303-Q307 PolarHBondContact O-N 3.01Å; F304-Q307 PolarHBondContact O-N 3.34Å; D305-Q307 VanDerWaalsContact C-N 3.31Å; D305-Q307 PolarHBondContact O-N 3.42Å; Q307-Q310 PolarHBondContact O-N 3.26Å; Q307-A311 PolarHBondContact O-N 2.94Å
308Q68.3Low62.1Low122 Ų122139.1 Ų139.157%0.5767%0.672SS**Hα-helixtrans-68.4-36.7172.6-78.5-173.611.400113F304 D305 Q310 A311F304-Q308 PolarHBondContact O-N 3.48Å; D305-Q308 PolarHBondContact O-N 3.12Å; Q308-Q310 VanDerWaalsContact C-N 3.32Å; Q308-Q310 PolarHBondContact O-N 3.14Å; Q308-A311 PolarHBondContact O-N 2.79Å
309Q61.8Low59.8Low153 Ų153136.7 Ų136.772%0.71567%0.673SS**Hα-helixtrans-68.9-28.9176.5-73.9173.713.700113D305 R306 A311D305-Q309 WeakPolarHBondContact O-CG 3.45Å; D305-Q309 PolarHBondContact O-N 3.14Å; R306-Q309 PolarHBondContact O-N 3.46Å; Q309-A311 VanDerWaalsContact C-N 3.3Å
310Q57.8Low57.4Low156 Ų156135.9 Ų135.973%0.72968%0.681SS**Hα-helixtrans-78-13173.7-74.6-178.6-14.100113.6R306 Q307 Q308R306-Q310 PolarHBondContact O-N 2.93Å; Q307-Q310 PolarHBondContact O-N 3.26Å; Q308-Q310 VanDerWaalsContact C-N 3.32Å; Q308-Q310 PolarHBondContact O-N 3.14Å
311A51.2Low54.9Low77 Ų77134.9 Ų134.964%0.63669%0.694SS**THydrogen-bonded Turntrans-95.15-178.400000114.4Q307 Q308 Q309 P313Q307-A311 PolarHBondContact O-N 2.94Å; Q308-A311 PolarHBondContact O-N 2.79Å; Q309-A311 VanDerWaalsContact C-N 3.3Å; A311-P313 WeakPolarHBondContact O-CD 3.36Å
312Q44.6Very low52.5Low166 Ų166137 Ų13778%0.77671%0.709SS**SBendtrans-91.3117.3169.1-75.6-167.70.800111.1N314Q312-N314 PolarHBondContact O-N 3.02Å
313P46.1Very low50.7Low113 Ų113139.9 Ų139.973%0.73472%0.724SS**  trans-71122.6176.426.8-30.5000110.5A311 I315A311-P313 WeakPolarHBondContact O-CD 3.36Å; P313-I315 PolarHBondContact O-N 2.94Å; P313-I315 VanDerWaalsContact O-N 3.16Å
314N37.6Very low48.2Very low164 Ų164136 Ų13688%0.87773%0.73SS**  trans-68.3103.3174.1-147.911.1000108.7Q312 P316Q312-N314 PolarHBondContact O-N 3.02Å; N314-P316 WeakPolarHBondContact O-CD 3.45Å
315I38.6Very low46.1Very low146 Ų146134.9 Ų134.975%0.74974%0.739SS**PPolyproline II helixtrans-86.8117.4175.3-60.6171.4000108.3P313 Q317P313-I315 PolarHBondContact O-N 2.94Å; P313-I315 VanDerWaalsContact O-N 3.16Å; I315-Q317 PolarHBondContact O-N 3.28Å
316P37.3Very low44.1Very low115 Ų115137 Ų13775%0.74776%0.755SS**PPolyproline II helixtrans-72.2127.9173.3-11.827.8000110.7N314 Q318N314-P316 WeakPolarHBondContact O-CD 3.45Å; P316-Q318 PolarHBondContact O-N 3.35Å
317Q31.1Very low41.9Very low200 Ų200135.1 Ų135.194%0.93576%0.758SS**PPolyproline II helixtrans-67.1120.1167.2-72.7176.2-17.100109.8I315I315-Q317 PolarHBondContact O-N 3.28Å
318Q32.5Very low40Very low183 Ų183136.2 Ų136.286%0.85577%0.772SS**  trans-107.1141.6157.3-85.9-166.8-23.200109.5P316P316-Q318 PolarHBondContact O-N 3.35Å
319P36.1Very low38.2Very low115 Ų115133.4 Ų133.475%0.74778%0.776SS**  trans-81.3141-170.631.8-34000113.7
320D33.4Very low36.9Very low155 Ų155131.6 Ų131.683%0.82978%0.78SS**  trans34.3111.4150-64.5-35.9000120.1
321T30.2Very low35.8Very low149 Ų149132.9 Ų132.991%0.91479%0.786SS**  trans-144.1118139.1360000110.5
322N33.2Very low35.2Very low162 Ų162137.5 Ų137.587%0.86679%0.794SS**  trans-86.5152.2167.4-142.516.7000109
323P45Very low34.8Very low120 Ų120137.7 Ų137.778%0.77980%0.801SS**  trans-95.5154.4-156.237.2-34.6000113.4
324G28.9Very low34.5Very low73 Ų73140.4 Ų140.475%0.75380%0.804SS**  trans-160.599.1173.100000113.2
325S30.9Very low34.5Very low107 Ų107140.7 Ų140.775%0.74880%0.799SS**  trans54.9123.6142.8-90.30000122.4
326T30.6Very low34.6Very low121 Ų121142.3 Ų142.374%0.74280%0.804SS**  78.4126.8129.156.50000121.2
327N31.7Very low34.4Very low137 Ų137146.3 Ų146.373%0.73381%0.813SS**  98.2112.1129.1-96.211.8000120.7
328T32.5Very low34.8Very low126 Ų126142 Ų14277%0.77381%0.805SS**  65.8130.9122.959.80000121.6
329G30.3Very low35.3Very low63 Ų63139.1 Ų139.165%0.64981%0.805SS**  trans112.8102.8146.600000112.5
330S34.3Very low35.7Very low115 Ų115146.6 Ų146.680%0.80483%0.83SS**  64.9134.376.964.30000114.5
331E36.1Very low35.8Very low183 Ų183146.2 Ų146.286%0.85583%0.83SS**  trans113.295.8175-66.6176178.300111.6
332E37.2Very low36.1Very low174 Ų174146.1 Ų146.181%0.81383%0.825SS**  49.3104.979.3-74.1-167.4156.400113
333D37.4Very low36.3Very low170 Ų170145.2 Ų145.291%0.90982%0.823SS**  trans-155.4135.5130.7-121.7-21.5000112.9
334Q39.3Very low35.8Very low171 Ų171146.6 Ų146.680%0.79983%0.826SS**  trans-88.2152.4-169-70.8174.112.300112.5
335Q37.6Very low36.2Very low169 Ų169151.3 Ų151.379%0.7983%0.83SS**  trans-62.6145.8163.2-60.7164.9-9.300111
336Q40Very low36.6Very low181 Ų181154.2 Ų154.285%0.84684%0.836SS**  152.7106.7115.8-85.5-179.9-20.900111.8
337E34.6Very low37Very low198 Ų198156.6 Ų156.693%0.92584%0.842SS**  trans-93.8123152.9-100.4-178.2129.400108.5
338S39.5Very low37.4Very low111 Ų111158.1 Ų158.178%0.77685%0.851SS**  trans-169.5105.4160.9-72.50000110
339S41.7Very low37.8Very low121 Ų121160.8 Ų160.885%0.84686%0.857SS**  trans152111.1132-69.20000111.5
340Q45.9Very low38.5Very low273 Ų273169.6 Ų169.6100%1.27688%0.876SS**  trans-151.60130.7-109-178.72100109.6

Retrieved 340 of 340 residues in 222.1 ms (Link to these results)

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